A0A5K4FBN9_SCHMA Loading...

Protein-tyrosine-phosphatase AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FBN9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,843 aa.

>A0A5K4FBN9_SCHMA|A0A5K4FBN9
MLFVLASDIVCMNVLYPCSHFSRVKLIHLHTLMSISWHIYLILLVSNLYFESSLNVAVSASNPVGSTFNQGFTYGVTDTAPDVSTNSTITASATTNFTTTTTTTTDGFNQSKSSLNVAVSASNPVGSTFNQGFTYGVTDTAPDVSTNSTITASATTNFTTTTTTTTTDGFNQSKSSLNVAVSASNPVGSTFNQGFTYGVTDTAPDVSTNSTITASATTNFTTTTTTTTDGFNQSKSSLNVAVSASNPVGSTFNQGFTYGVTDTAPDVSTNSTITASATTNFTTTTTTTDGFNQSKSSLNVAVSASNPVGSTFNQGFTYGVTDTAPDVSTNSTITASATTNFTTTTTTTTDGFNQSKSSLNVAVSASNPVGSTFNQGFTYGVTDTAPDVSTNSTITASATTNFTTTTTTTTDGFNQSKSSLNVAVSASNPVGSTFNQGFTYGVTDTAPDVSTNSTITASATTNFTTTTTTTTTDGFNQSKSSLNVAVSASNPVGSTFNQGFTYGVTDTAPDVSTNSTITASATTNFTTTTTTTTTDGFNQSKSSLNVAVSASNPVGSTFNQGFTYGVTDTAPDVSTNSTITASATTNFTTTTTTTTTDGFNQSKSSLNVAVSASNPVGSTFNQGFTYGVTDTAPDVSTNSTITASATTNFTTTTTTTTDGFNQSKSSLNVAVSASNPVGSTFNQGFTYGVTDTAPDVSTNSTITASATTNFTTTTTTTTTDGFNQSKSSLNVAVSASNPVGSTFNQGFTYGVTDTAPDVSTNSTITASATTNFTTTTTTTTTDGFNQSKSSLNVAVSASNPVGSTFNQGFTYGVTDTAPDVSTNSTITASATTNFTTTTTTTTTDGFNQSIQLLNTGIHTPKLIQISNITSTSFVIIWPVVKTNGSQFRVSTYEILLNSQRQSLLLIKNISSEVFREKIENLTACTIYTIQMRLVIKQYETVCSEWSKPLTVFTSISTPNPPVNVTFIETRSTQLRVVWMPPEENSAFNINCFLVYIHPTFTVFGHFQKFNICHSNVCDIKSLCPGVNYTVYVESFDSTYGIRSLPSNYITAVAYPDRPIKPENVTVTNIKPNQFTIRWNEIKKDLTFTNICCSLYVRPTLNINDNFNQFNICNGKSEFTVTSLLPRTNYTVYLKSFNTKYGIYSNATKSFLIYTTYPPCIQPPVNLTISEINIYGFTVHWDNALEDHLFDNNNNNYYYVFIKPLHNHTNKPIQFNAGQSATSFRIFSLSPDTWYSVSVQCIDTTYHISIKSEEIFVHTYSETVERDSLNHLTNLILHVPPEQQTTHIKQDSMIILYLPLSRLNYFISTVYVVSLVIKPTRESHDDEIICSEGCTRKMHYNDITDIYLVESTYKNRHNKKNGSWEILIHSRLILSQARARRSMDYRMNESYLYSDKYFIIGENGVCLYNSHECNGPLKPATQYSIQLRTYTEYGYTTSKIIHGHTLTDTTIILITCCILWSLFILAISSFGLLYYRLIERSIIPKNNDIHNNNARRKINSKTIFNGDIYSQNIMNRTQLSNLCTPIEWPTPVTTSKFMAQYENYSKDSFAALKVQYQLIISNSQFLIQSDMLSQEIGQRNTNKRLNRFSDILPYDQTRVKLKPLQKTKQDHDYVNASFIYEIIPCTSVYTHPVLNRNKIAYIASQAPLESTVGDFWRMILDQNITIIVMLTKLYEDNISKCCQYWPNDIHESLTFQSDYLKLEVTLLSEEDHHIYILRKLYITSINYQSNNPENSKYVVQFHMMTWPDFDVPKLSEFQTLMKDYRELKCGESYRYSPTLVHCTAGVGRTGTFIVADLLQIYKESNCVYYDIPGIILQMRRCRPSMVQKVAQYIFLHQFANTLFR
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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
1M24.9Very low26.5Very low250 Ų250151.8 Ų151.8100%1.23285%0.85SS**  0115.80-154.6168.1176.500105.7
2L31.7Very low26.2Very low153 Ų153154.2 Ų154.280%0.80185%0.853SS**  trans-60.8150.6-168.7-99.680.7000113.8
3F24.4Very low26.1Very low196 Ų196154.8 Ų154.886%0.8685%0.854SS**  -178.1135104.6-100.2-78.1000111
4V28.7Very low26.1Very low130 Ų130152.1 Ų152.179%0.78884%0.844SS**  trans-94138.7166.5171.90000108.2
5L25Very low26.1Very low174 Ų174150.5 Ų150.591%0.91183%0.832SS**  trans-139.4132.1156.1-87.1168000108.1
6A28.6Very low26.1Very low89 Ų89153.4 Ų153.474%0.73683%0.828SS**  trans-94.9152.4177.800000111.6
7S24.9Very low26.3Very low108 Ų108148 Ų14876%0.75580%0.803SS**  trans158.9127.7135.757.40000113.2
8D24.6Very low26.3Very low152 Ų152147.5 Ų147.581%0.81381%0.811SS**  trans48.3124151.8-55.6-22.8000123.2
9I29.1Very low26.2Very low175 Ų175144.2 Ų144.290%0.89780%0.799SS**  -172.9141.4129.6-94.3156.1000112.1
10V25.3Very low26.2Very low126 Ų126144.3 Ų144.376%0.76479%0.793SS**  trans-79.1151.6-177.4166.50000114.1
11C23.6Very low26.2Very low117 Ų117146.4 Ų146.479%0.79180%0.795SS**  trans90.1138.4152.2-93.50000122.8
12M23.5Very low26.2Very low180 Ų180139 Ų13989%0.88777%0.767SS**  trans96.3104.4153.1-76.5-172.9147.100119.5V14M12-V14 PolarHBondContact O-N 3.22Å
13N25.2Very low25.9Very low162 Ų162142.9 Ų142.987%0.86677%0.771SS**  trans4.5107.6141.7-74.6-23.4000115.6
14V25.2Very low26.1Very low118 Ų118138.1 Ų138.172%0.71576%0.758SS**  -167.2115.4126.2174.70000107.6M12 Y16M12-V14 PolarHBondContact O-N 3.22Å; V14-Y16 HydrophobicContact CG1-CD2 3.72Å; V14-Y16 HydrophobicContact CG1-CE2 3.7Å
15L26.8Very low25.9Very low127 Ų127141.2 Ų141.267%0.66576%0.761SS**  trans-74.7121.2170.3-95.2153.6000110.9V45L15-V45 HydrophobicContact CD1-CG1 4.17Å; L15-V45 HydrophobicContact CD1-CG2 3.93Å; L15-V45 HydrophobicContact CD2-CB 4.08Å; L15-V45 HydrophobicContact CD2-CG1 4.19Å; L15-V45 HydrophobicContact CD2-CG2 3.35Å; L15-V45 HydrophobicContact CG-CG2 4.09Å
16Y25.7Very low26.2Very low198 Ų198137.4 Ų137.478%0.77674%0.741SS**  trans-127.4122.3161.7-88.5-81.1000108.1V14V14-Y16 HydrophobicContact CG1-CD2 3.72Å; V14-Y16 HydrophobicContact CG1-CE2 3.7Å
17P30Very low26.1Very low61 Ų61139.7 Ų139.740%0.39674%0.74SS.*  trans-92.1125167.814.72.3000110.1E1281P17-E1281 HydrophobicContact CG-CB 4.34Å; P17-E1281 HydrophobicContact CG-CG 3.58Å; P17-E1281 WeakPolarHBondContact CG-OE1 3.19Å
18C25.3Very low26.1Very low139 Ų139141.6 Ų141.694%0.93974%0.736SS**  trans-83.9108.5162.8-84.90000109.2
19S25.9Very low26.3Very low85 Ų85140.9 Ų140.959%0.59473%0.732SS**  trans-118.269.9174.555.90000111.3
20H25.7Very low26.3Very low145 Ų145138.6 Ų138.667%0.67172%0.717SS**  trans-149.680167.3-103.732.2000111.5
21F25.9Very low26.6Very low190 Ų190138.1 Ų138.183%0.83372%0.715SS**  trans-153.367.9155.5-100.8-73.8000111.1
22S25.3Very low26.9Very low94 Ų94138.9 Ų138.966%0.65771%0.71SS**  trans-117.668.3168.8-63.70000110.4
23R24.8Very low27.3Very low234 Ų234138.5 Ų138.588%0.88371%0.708SS**  trans179.175.5153.8-101.6178-172.7-168.34.5107.9K25R23-K25 PolarHBondContact O-N 3.11Å
24V28.4Very low27.8Very low96 Ų96134.9 Ų134.958%0.58270%0.696SS**  trans-74.187.4159.9-177.20000107L26V24-L26 VanDerWaalsContact C-N 3.26Å; V24-L26 HydrophobicContact CG1-CB 3.98Å; V24-L26 HydrophobicContact CG1-CD1 3.5Å; V24-L26 VanDerWaalsContact CG1-CD1 3.5Å; V24-L26 HydrophobicContact CG1-CG 3.65Å; V24-L26 PolarHBondContact O-N 3.49Å
25K25.9Very low28.6Very low195 Ų195133 Ų13385%0.84868%0.681SS**  trans-8085.4161.5-153.7178.9-171.5-176.60105.6R23 I27R23-K25 PolarHBondContact O-N 3.11Å; K25-I27 PolarHBondContact O-N 3.28Å; K25-I27 VanDerWaalsContact O-N 3.13Å
26L29.8Very low28.9Very low95 Ų95130.4 Ų130.450%0.49767%0.673SS.*  trans-70.2110.6-178.3-120.9151.3000108.9V24 W37V24-L26 VanDerWaalsContact C-N 3.26Å; V24-L26 HydrophobicContact CG1-CB 3.98Å; V24-L26 HydrophobicContact CG1-CD1 3.5Å; V24-L26 VanDerWaalsContact CG1-CD1 3.5Å; V24-L26 HydrophobicContact CG1-CG 3.65Å; V24-L26 PolarHBondContact O-N 3.49Å; L26-W37 HydrophobicContact CD1-CD2 4.29Å; L26-W37 HydrophobicContact CD1-CE3 4.19Å; L26-W37 HydrophobicContact CD1-CH2 3.66Å; L26-W37 HydrophobicContact CD1-CZ2 3.69Å; L26-W37 HydrophobicContact CD1-CZ3 3.89Å; L26-W37 HydrophobicContact CD2-CH2 3.44Å; L26-W37 VanDerWaalsContact CD2-CH2 3.44Å; L26-W37 HydrophobicContact CD2-CZ2 3.45Å; L26-W37 VanDerWaalsContact CD2-CZ2 3.45Å; L26-W37 HydrophobicContact CD2-CZ3 4.4Å; L26-W37 HydrophobicContact CG-CH2 4.09Å; L26-W37 HydrophobicContact CG-CZ2 4.22Å
27I26.4Very low29.7Very low137 Ų137125.6 Ų125.670%0.70365%0.654SS**  trans-61.4137.8-178.8-65.3166.5000108.8K25 L29K25-I27 PolarHBondContact O-N 3.28Å; K25-I27 VanDerWaalsContact O-N 3.13Å; I27-L29 PolarHBondContact O-N 3.42Å
28H26.4Very low29.9Very low147 Ų147127.7 Ų127.768%0.68166%0.658SS**  trans-50.7104.7168.3-90.133.3000110.1
29L28.5Very low30.5Very low137 Ų137125.6 Ų125.672%0.71764%0.637SS**  trans-91.998.9161.3-105.593.8000108.6I27 T31I27-L29 PolarHBondContact O-N 3.42Å; L29-T31 PolarHBondContact O-N 3.33Å
30H29.4Very low30.9Very low127 Ų127128.5 Ų128.559%0.58864%0.635SS**  trans-74.2103.6156.1-81-80.2000107.6
31T30.5Very low31.3Very low117 Ų117126.5 Ų126.572%0.71863%0.629SS**SBendtrans152.8127.1135.447.80000111.4L29L29-T31 PolarHBondContact O-N 3.33Å
32L30.5Very low31.5Very low132 Ų132123.7 Ų123.769%0.69162%0.621SS**  trans32.796154.9-63165000117
33M31.9Very low32.1Very low172 Ų172123.6 Ų123.685%0.84761%0.613SS**  trans174.3154.6140.9-96.517091.800111.6I35M33-I35 PolarHBondContact O-N 2.82Å
34S35.7Very low32.4Very low87 Ų87117.8 Ų117.861%0.60860%0.599SS**  trans-61.9128.2173.7630000110.4
35I40.8Very low32.6Very low78 Ų78116.7 Ų116.740%0.459%0.593SS.*EExtended strand (participates in β ladder)trans-119.2113.8177.1-46.5176000108.4M33 W37M33-I35 PolarHBondContact O-N 2.82Å; I35-W37 HydrophobicContact CG2-CD2 3.94Å; I35-W37 HydrophobicContact CG2-CG 4.28Å; I35-W37 HydrophobicContact CG2-CH2 4.25Å; I35-W37 HydrophobicContact CG2-CZ2 3.46Å; I35-W37 VanDerWaalsContact CG2-CZ2 3.46Å
36S34.8Very low33.1Very low72 Ų72110.9 Ų110.950%0.50358%0.576SS.*EExtended strand (participates in β ladder)trans-104.3117.8171.2-1780000107.5H38S36-H38 PolarHBondContact OG-CE1 3.38Å; S36-H38 PolarHBondContact OG-ND1 2.81Å
37W42.4Very low33.4Very low97 Ų97113 Ų11337%0.36759%0.588SS.*EExtended strand (participates in β ladder)trans-101.7110.5178.9-61.598.2000108.6L26 I35 G71L26-W37 HydrophobicContact CD1-CD2 4.29Å; L26-W37 HydrophobicContact CD1-CE3 4.19Å; L26-W37 HydrophobicContact CD1-CH2 3.66Å; L26-W37 HydrophobicContact CD1-CZ2 3.69Å; L26-W37 HydrophobicContact CD1-CZ3 3.89Å; L26-W37 HydrophobicContact CD2-CH2 3.44Å; L26-W37 VanDerWaalsContact CD2-CH2 3.44Å; L26-W37 HydrophobicContact CD2-CZ2 3.45Å; L26-W37 VanDerWaalsContact CD2-CZ2 3.45Å; L26-W37 HydrophobicContact CD2-CZ3 4.4Å; L26-W37 HydrophobicContact CG-CH2 4.09Å; L26-W37 HydrophobicContact CG-CZ2 4.22Å; I35-W37 HydrophobicContact CG2-CD2 3.94Å; I35-W37 HydrophobicContact CG2-CG 4.28Å; I35-W37 HydrophobicContact CG2-CH2 4.25Å; I35-W37 HydrophobicContact CG2-CZ2 3.46Å; I35-W37 VanDerWaalsContact CG2-CZ2 3.46Å; W37-G71 PolarHBondContact N-O 2.75Å
38H34.4Very low33.7Very low105 Ų105111.3 Ų111.349%0.48658%0.58SS.*EExtended strand (participates in β ladder)trans-109.6113.8172-64.492.6000108.1S36 Y40S36-H38 PolarHBondContact OG-CE1 3.38Å; S36-H38 PolarHBondContact OG-ND1 2.81Å; H38-Y40 HydrophobicContact CB-CD2 3.91Å; H38-Y40 HydrophobicContact CB-CE2 3.69Å; H38-Y40 AromaticContact CD2-CE2 3.76Å
39I37.9Very low34Very low96 Ų96112.5 Ų112.549%0.49258%0.58SS.*EExtended strand (participates in β ladder)trans-107.3100.1167.7-61.9172.1000105.5
40Y32.7Very low34.6Very low145 Ų145111.4 Ų111.457%0.56957%0.569SS**EExtended strand (participates in β ladder)trans-97.2117.6168.8-72.6-83.7000107.6H38H38-Y40 HydrophobicContact CB-CD2 3.91Å; H38-Y40 HydrophobicContact CB-CE2 3.69Å; H38-Y40 AromaticContact CD2-CE2 3.76Å
41L34.7Very low35Very low103 Ų103112.4 Ų112.454%0.53957%0.574SS.*EExtended strand (participates in β ladder)trans-102.598.3168.2-168.274.1000106.8L43L41-L43 HydrophobicContact CD2-CD1 3.49Å; L41-L43 VanDerWaalsContact CD2-CD1 3.49Å; L41-L43 HydrophobicContact CD2-CG 4.25Å; L41-L43 HydrophobicContact CG-CD1 3.94Å; L41-L43 HydrophobicContact CG-CG 4.16Å
42I31.3Very low35.6Very low131 Ų131111.2 Ų111.267%0.67257%0.571SS**EExtended strand (participates in β ladder)trans-84.4111.3172.6-60.5170.1000106.2
43L36.3Very low36.8Very low92 Ų92107.7 Ų107.748%0.48256%0.557SS.*  trans-114.684.5178.8-92.3160.1000108.6L41 V45L41-L43 HydrophobicContact CD2-CD1 3.49Å; L41-L43 VanDerWaalsContact CD2-CD1 3.49Å; L41-L43 HydrophobicContact CD2-CG 4.25Å; L41-L43 HydrophobicContact CG-CD1 3.94Å; L41-L43 HydrophobicContact CG-CG 4.16Å; L43-V45 PolarHBondContact O-N 2.95Å
44L31.7Very low38.1Very low112 Ų112102 Ų10259%0.58653%0.53SS*.  trans-73.5103.9155.2-75.9149.9000105.3
45V33.6Very low39.4Very low74 Ų74103.2 Ų103.245%0.44853%0.529SS..  trans161.1121.6146.9168.40000110.8L15 L43L15-V45 HydrophobicContact CD1-CG1 4.17Å; L15-V45 HydrophobicContact CD1-CG2 3.93Å; L15-V45 HydrophobicContact CD2-CB 4.08Å; L15-V45 HydrophobicContact CD2-CG1 4.19Å; L15-V45 HydrophobicContact CD2-CG2 3.35Å; L15-V45 HydrophobicContact CG-CG2 4.09Å; L43-V45 PolarHBondContact O-N 2.95Å
46S35.7Very low40.6Very low72 Ų72101 Ų10150%0.50352%0.519SS..SBendtrans-62.3125.2169.7340000111.7
47N35Very low42Very low139 Ų139101.8 Ų101.874%0.74353%0.531SS*.  trans84.1114.2-176.5-58.1-58.5000116
48L33.3Very low43.2Very low103 Ų10398.4 Ų98.454%0.53952%0.521SS..  161.1148.8115.9-82.7159.1000115.5
49Y33.6Very low44.9Very low171 Ų17197.6 Ų97.667%0.67153%0.527SS*.  trans44.1120153.4-70.3-70.4000122.3
50F40.3Very low46.4Very low114 Ų11494.6 Ų94.650%0.552%0.516SS..  trans-131.5133.9170.6-73.1-74.9000115.7K112F50-K112 HydrophobicContact CB-CG 4.43Å; F50-K112 HydrophobicContact CD1-CG 4.41Å; F50-K112 HydrophobicContact CG-CG 4.37Å
51E38.2Very low48.2Very low149 Ų14990.7 Ų90.770%0.69651%0.51SS*.  trans-61.2155.6170.2-70.8-172.5150.300113S53E51-S53 PolarHBondContact O-N 2.71Å
52S43.5Very low50Low92 Ų9287.2 Ų87.264%0.64349%0.492SS*.SBendtrans-74.7-7.9-168.856.10000116.6S113S52-S113 VanDerWaalsContact CA-OG 3.24Å; S52-S113 WeakPolarHBondContact CA-OG 3.43Å; S52-S113 WeakPolarHBondContact O-CB 3.09Å; S52-S113 PolarHBondContact O-OG 2.68Å
53S54.5Low51.6Low57 Ų5783.1 Ų83.140%0.39947%0.474SS..  trans-172.5142.5171.855.70000113.2E51E51-S53 PolarHBondContact O-N 2.71Å
54L59.1Low52.9Low53 Ų5384.9 Ų84.928%0.27749%0.488SS..EExtended strand (participates in β ladder)trans-118.5125.5174.7-179.264.4000110.9V56 S114 L115 N116L54-V56 HydrophobicContact CD2-CG2 4.36Å; L54-V56 HydrophobicContact CG-CG2 4.16Å; L54-S114 PolarHBondContact N-O 2.79Å; L54-L115 HydrophobicContact CB-CD1 4.12Å; L54-L115 HydrophobicContact CD2-CD1 3.98Å; L54-L115 HydrophobicContact CG-CD1 4.05Å; L54-N116 PolarHBondContact O-N 3.47Å; L54-N116 VanDerWaalsContact O-N 3.13Å
55N63.7Low54.3Low112 Ų11279.7 Ų79.760%0.59946%0.462SS*.EExtended strand (participates in β ladder)trans-116.2119.9176.5-66.3-53.1000110.3N116N55-N116 WeakPolarHBondContact OD1-CB 3.01Å; N55-N116 PolarHBondContact OD1-ND2 2.69Å
56V65.2Low56.2Low31 Ų3179.9 Ų79.919%0.18847%0.467CS..EExtended strand (participates in β ladder)trans-113.8119.7179.6-177.60000108.9L54 V58 F72 L115 N116 V117 A118L54-V56 HydrophobicContact CD2-CG2 4.36Å; L54-V56 HydrophobicContact CG-CG2 4.16Å; V56-V58 HydrophobicContact CG1-CG2 4.23Å; V56-F72 HydrophobicContact CG1-CZ 3.88Å; V56-L115 HydrophobicContact CG2-CD1 4.4Å; V56-N116 PolarHBondContact N-O 3.26Å; V56-V117 HydrophobicContact CB-CG1 4.49Å; V56-V117 HydrophobicContact CB-CG2 4.41Å; V56-V117 WeakPolarHBondContact O-CA 3.46Å; V56-A118 PolarHBondContact O-N 2.94Å
57A65.8Low58Low90 Ų9079.6 Ų79.674%0.74446%0.462SS*.EExtended strand (participates in β ladder)trans-124.9121.4177.100000110.1A118A57-A118 WeakPolarHBondContact CA-O 3.33Å
58V67.1Low60Low26 Ų2673.7 Ų73.716%0.15843%0.43CS..EExtended strand (participates in β ladder)trans-124.1123.1179.9-176.80000108.9V56 F72 A118 V119 S120V56-V58 HydrophobicContact CG1-CG2 4.23Å; V58-F72 HydrophobicContact CG2-CD2 3.86Å; V58-F72 HydrophobicContact CG2-CE2 3.72Å; V58-F72 HydrophobicContact CG2-CZ 4.29Å; V58-A118 PolarHBondContact N-O 2.66Å; V58-V119 HydrophobicContact CB-CG1 4.41Å; V58-V119 HydrophobicContact CB-CG2 4.35Å; V58-V119 WeakPolarHBondContact O-CA 3.46Å; V58-S120 PolarHBondContact O-N 3.36Å; V58-S120 PolarHBondContact O-OG 3.39Å
59S69.5Low62.1Low88 Ų8871.9 Ų71.962%0.61542%0.421SS*.EExtended strand (participates in β ladder)trans-129.1127.217664.40000110.2S120S59-S120 WeakPolarHBondContact CA-O 3.04Å; S59-S120 WeakPolarHBondContact CB-OG 2.93Å
60A70.7Confident63.9Low32 Ų3264.2 Ų64.226%0.26439%0.391SS..EExtended strand (participates in β ladder)trans-130.3142171.400000111F68 S120 A121 S122A60-F68 HydrophobicContact CB-CE2 4Å; A60-F68 HydrophobicContact CB-CZ 3.82Å; A60-S120 PolarHBondContact N-O 2.69Å; A60-A121 WeakPolarHBondContact O-CA 3.26Å; A60-S122 PolarHBondContact O-N 2.77Å; A60-S122 VanDerWaalsContact O-N 3.1Å
61S70.3Confident65.2Low64 Ų6459.9 Ų59.945%0.44838%0.378SS..EExtended strand (participates in β ladder)trans-137.2139.6174.370.80000109.9S122S61-S122 WeakPolarHBondContact CA-O 3.48Å; S61-S122 WeakPolarHBondContact CB-OG 3.31Å
62N71Confident66.6Low29 Ų2953.2 Ų53.216%0.15535%0.347CS..  trans-125.488.1170.6-175.56.5000109V64 G65 T67 F68 S122 N123N62-V64 PolarHBondContact O-N 3.08Å; N62-G65 WeakPolarHBondContact ND2-CA 3.02Å; N62-G65 PolarHBondContact OD1-N 2.6Å; N62-G65 VanDerWaalsContact OD1-N 3.07Å; N62-T67 PolarHBondContact ND2-O 2.66Å; N62-F68 HydrophobicContact CB-CD2 3.55Å; N62-F68 HydrophobicContact CB-CE2 4.24Å; N62-F68 HydrophobicContact CB-CG 4.49Å; N62-S122 PolarHBondContact N-O 3.25Å; N62-S122 VanDerWaalsContact N-O 3.08Å; N62-N123 PolarHBondContact O-OD1 3.1Å
63P65.5Low67.7Low46 Ų4650.3 Ų50.330%0.29933%0.326SS..SBendtrans-69.5-10.9-17321-28.2000115V125P63-V125 WeakPolarHBondContact O-CG2 3.03Å
64V62.8Low68.3Low128 Ų12849.3 Ų49.378%0.77631%0.313SS*.SBendtrans-1449.9-170.2-136.30000115.2N62N62-V64 PolarHBondContact O-N 3.08Å
65G61.9Low68.6Low4 Ų447.2 Ų47.24%0.04131%0.305CS..  trans-105.2140.3-175.100000114.4N62 T67 N123 G126N62-G65 WeakPolarHBondContact ND2-CA 3.02Å; N62-G65 PolarHBondContact OD1-N 2.6Å; N62-G65 VanDerWaalsContact OD1-N 3.07Å; G65-T67 VanDerWaalsContact C-N 3.27Å; G65-T67 PolarHBondContact O-N 3.41Å; G65-N123 PolarHBondContact O-OD1 2.77Å; G65-G126 WeakPolarHBondContact O-CA 3.06Å
66S74Confident68.7Low77 Ų7742.8 Ų42.854%0.53828%0.282SS..SBendtrans-63.2-29.3-179.160.10000113.9G126 S127 T128S66-G126 CarbonylContact O-C 3.59Å; S66-S127 WeakPolarHBondContact O-CA 2.95Å; S66-S127 PolarHBondContact O-N 2.73Å; S66-S127 PolarHBondContact O-OG 2.84Å; S66-T128 PolarHBondContact O-N 3.49Å
67T73.8Confident68.6Low67 Ų6743.5 Ų43.541%0.41129%0.286SS..EExtended strand (participates in β ladder)trans-131.3131.5-178.5-530000109.9N62 G65 T128N62-T67 PolarHBondContact ND2-O 2.66Å; G65-T67 VanDerWaalsContact C-N 3.27Å; G65-T67 PolarHBondContact O-N 3.41Å; T67-T128 WeakPolarHBondContact CA-O 3.43Å; T67-T128 HydrophobicContact CG2-CG2 4.44Å
68F76.3Confident68.4Low14 Ų1440.5 Ų40.56%0.06126%0.258CS..EExtended strand (participates in β ladder)trans-120.7118173.8177.7-91000109.6A60 N62 Q70 A121 N123 T128 F129 N130A60-F68 HydrophobicContact CB-CE2 4Å; A60-F68 HydrophobicContact CB-CZ 3.82Å; N62-F68 HydrophobicContact CB-CD2 3.55Å; N62-F68 HydrophobicContact CB-CE2 4.24Å; N62-F68 HydrophobicContact CB-CG 4.49Å; F68-Q70 HydrophobicContact CE1-CB 3.62Å; F68-Q70 HydrophobicContact CZ-CB 3.73Å; F68-A121 HydrophobicContact CE1-CB 3.54Å; F68-A121 HydrophobicContact CZ-CB 3.58Å; F68-N123 HydrophobicContact CB-CB 3.79Å; F68-N123 VanDerWaalsContact CB-ND2 3.3Å; F68-N123 WeakPolarHBondContact CB-ND2 3.32Å; F68-N123 HydrophobicContact CG-CB 4.11Å; F68-T128 PolarHBondContact N-O 2.76Å; F68-F129 HydrophobicContact CB-CD2 4.28Å; F68-F129 AromaticContact CD1-CD2 3.37Å; F68-F129 HydrophobicContact CD1-CD2 3.37Å; F68-F129 AromaticContact CD1-CE2 3.33Å; F68-F129 HydrophobicContact CD1-CE2 3.33Å; F68-F129 HydrophobicContact CD1-CG 4.14Å; F68-F129 HydrophobicContact CD1-CZ 4.05Å; F68-F129 AromaticContact CE1-CD2 4Å; F68-F129 HydrophobicContact CE1-CD2 4Å; F68-F129 AromaticContact CE1-CE2 3.43Å; F68-F129 HydrophobicContact CE1-CE2 3.43Å; F68-F129 VanDerWaalsContact CE1-CE2 3.43Å; F68-F129 AromaticContact CE1-CZ 3.88Å; F68-F129 HydrophobicContact CE1-CZ 3.88Å; F68-F129 HydrophobicContact CG-CD2 4.07Å; F68-F129 HydrophobicContact CG-CE2 4.26Å; F68-F129 HydrophobicContact CZ-CE2 4.4Å; F68-F129 CarbonylContact O-C 3.58Å; F68-F129 WeakPolarHBondContact O-CA 3Å; F68-N130 PolarHBondContact O-N 3.07Å
69N76.5Confident68.2Low66 Ų6643 Ų4335%0.35327%0.274SS..EExtended strand (participates in β ladder)trans-123.3118.8174.9-68.8-21.2000108.3N130N69-N130 WeakPolarHBondContact CA-O 3.23Å; N69-N130 WeakPolarHBondContact OD1-CB 3.42Å; N69-N130 PolarHBondContact OD1-ND2 3.29Å
70Q71.8Confident67.8Low9 Ų939.5 Ų39.54%0.04225%0.25CC..EExtended strand (participates in β ladder)trans-128.9117.4172.1-178.6-167.75700109F68 A121 N130 Q131 G132F68-Q70 HydrophobicContact CE1-CB 3.62Å; F68-Q70 HydrophobicContact CZ-CB 3.73Å; Q70-A121 VanDerWaalsContact OE1-CB 3.31Å; Q70-N130 PolarHBondContact N-O 3.33Å; Q70-Q131 VanDerWaalsContact O-CA 3.28Å; Q70-Q131 WeakPolarHBondContact O-CA 2.97Å; Q70-Q131 VanDerWaalsContact OE1-NE2 3.07Å; Q70-G132 PolarHBondContact O-N 3.49Å
71G67.8Low67.2Low23 Ų2342.6 Ų42.624%0.23727%0.267CS..EExtended strand (participates in β ladder)trans-111134.2166.400000109.5W37W37-G71 PolarHBondContact N-O 2.75Å
72F68.2Low66.8Low9 Ų945.3 Ų45.34%0.03928%0.277CS..EExtended strand (participates in β ladder)trans-129119.2169.2-178.6-92.5000109.4V56 V58 G132 F133 T134V56-F72 HydrophobicContact CG1-CZ 3.88Å; V58-F72 HydrophobicContact CG2-CD2 3.86Å; V58-F72 HydrophobicContact CG2-CE2 3.72Å; V58-F72 HydrophobicContact CG2-CZ 4.29Å; F72-G132 PolarHBondContact N-O 3.18Å; F72-F133 HydrophobicContact CB-CD2 4.44Å; F72-F133 AromaticContact CD1-CD2 3.52Å; F72-F133 HydrophobicContact CD1-CD2 3.52Å; F72-F133 AromaticContact CD1-CE2 3.38Å; F72-F133 HydrophobicContact CD1-CE2 3.38Å; F72-F133 HydrophobicContact CE1-CD2 4.27Å; F72-F133 AromaticContact CE1-CE2 3.65Å; F72-F133 HydrophobicContact CE1-CE2 3.65Å; F72-F133 HydrophobicContact CG-CD2 4.4Å; F72-F133 WeakPolarHBondContact O-CA 3.22Å; F72-T134 PolarHBondContact O-N 3.46Å
73T66.9Low66.5Low32 Ų3246.4 Ų46.420%0.19628%0.284CS..EExtended strand (participates in β ladder)trans-117.4124.3175.4-560000108.3T134T73-T134 WeakPolarHBondContact CA-O 3.03Å; T73-T134 HydrophobicContact CG2-CG2 4.43Å
74Y67.1Low66.7Low35 Ų3548.3 Ų48.314%0.13730%0.299CS..EExtended strand (participates in β ladder)trans-111.6107.9165.6179.8-86.9000107V76 L115 T134 Y135 G136Y74-V76 HydrophobicContact CE1-CG2 4.4Å; Y74-L115 HydrophobicContact CE1-CD2 4.46Å; Y74-T134 PolarHBondContact N-O 3.01Å; Y74-Y135 AromaticContact CD1-CD2 3.51Å; Y74-Y135 HydrophobicContact CD1-CD2 3.51Å; Y74-Y135 AromaticContact CD1-CE2 3.42Å; Y74-Y135 HydrophobicContact CD1-CE2 3.42Å; Y74-Y135 VanDerWaalsContact CD1-CE2 3.42Å; Y74-Y135 HydrophobicContact CE1-CD2 4.17Å; Y74-Y135 AromaticContact CE1-CE2 3.57Å; Y74-Y135 HydrophobicContact CE1-CE2 3.57Å; Y74-Y135 HydrophobicContact CG-CD2 4.39Å; Y74-Y135 WeakPolarHBondContact O-CA 3.4Å; Y74-G136 PolarHBondContact O-N 2.87Å
75G64.7Low66.8Low10 Ų1044.1 Ų44.110%0.10327%0.273CS..EExtended strand (participates in β ladder)trans-123.3136.8-177.700000110.6G136G75-G136 VanDerWaalsContact CA-O 3.26Å; G75-G136 WeakPolarHBondContact CA-O 2.88Å
76V64.7Low67.4Low18 Ų1849.7 Ų49.711%0.10930%0.302CS..EExtended strand (participates in β ladder)trans-110.7124.1157.3-176.10000105.7Y74 F108 G136 V137 T138Y74-V76 HydrophobicContact CE1-CG2 4.4Å; V76-F108 HydrophobicContact CG1-CE2 3.81Å; V76-F108 HydrophobicContact CG1-CZ 4.17Å; V76-G136 PolarHBondContact N-O 2.84Å; V76-V137 WeakPolarHBondContact O-CA 3.14Å; V76-T138 PolarHBondContact O-N 2.69Å
77T63.1Low67.1Low46 Ų4647.7 Ų47.728%0.28229%0.288SS..EExtended strand (participates in β ladder)trans-123.5118.3177-55.60000106.8T79 T138T77-T79 WeakPolarHBondContact CG2-OG1 3.38Å; T77-T138 VanDerWaalsContact CA-O 3.3Å; T77-T138 WeakPolarHBondContact CA-O 3.07Å
78D63.4Low67.1Low27 Ų2749.8 Ų49.814%0.14430%0.301CS..  trans-98.5139.3164.3-155.3-10000108.2F108 T138 T140D78-F108 HydrophobicContact CB-CD2 4.1Å; D78-T138 PolarHBondContact N-O 2.73Å; D78-T140 PolarHBondContact O-N 2.67Å
79T62Low66.7Low80 Ų8051.6 Ų51.649%0.49131%0.311SS..  trans-153.7101-179.5-45.80000107.1T77T77-T79 WeakPolarHBondContact CG2-OG1 3.38Å
80A60.8Low66.3Low14 Ų1453.4 Ų53.412%0.11632%0.324CS..PPolyproline II helixtrans-86.3153.3177.900000110.9T140 P142A80-T140 PolarHBondContact N-O 2.96Å; A80-P142 HydrophobicContact CB-CB 3.92Å; A80-P142 HydrophobicContact CB-CG 3.61Å
81P58.1Low65.9Low97 Ų9753.5 Ų53.563%0.6333%0.327SS*.PPolyproline II helixtrans-81.7138.4177.730.2-32.3000112.9P142P81-P142 WeakPolarHBondContact O-CB 3.12Å
82D63Low65.7Low121 Ų12156.5 Ų56.565%0.64734%0.344SS*.PPolyproline II helixtrans-46.6140.1178.9-53.5-15.3000113.9
83V63.7Low65.3Low51 Ų5159.9 Ų59.931%0.30937%0.374SS..EExtended strand (participates in β ladder)trans-113.7100.7-176.7-1760000110.2T85 T105 P142 D143 S145V83-T85 HydrophobicContact CG1-CG2 4.33Å; V83-T105 HydrophobicContact CG2-CG2 4.31Å; V83-P142 HydrophobicContact CG2-CB 4.43Å; V83-P142 HydrophobicContact CG2-CG 4.41Å; V83-D143 PolarHBondContact N-O 2.79Å; V83-S145 PolarHBondContact O-N 3.18Å
84S69.5Low64.9Low87 Ų8761.3 Ų61.361%0.60838%0.383SS*.EExtended strand (participates in β ladder)trans-101.8124.2170.773.10000111.6S145S84-S145 WeakPolarHBondContact CA-O 2.84Å; S84-S145 WeakPolarHBondContact CA-OG 3.24Å; S84-S145 WeakPolarHBondContact CB-OG 3.19Å
85T66.2Low64.8Low40 Ų4064.6 Ų64.625%0.24541%0.407CS..EExtended strand (participates in β ladder)trans-121.9122173.561.10000111.2V83 T103 S145 T146 N147V83-T85 HydrophobicContact CG1-CG2 4.33Å; T85-T103 HydrophobicContact CG2-CG2 4.06Å; T85-S145 PolarHBondContact N-O 3.24Å; T85-T146 WeakPolarHBondContact O-CA 3.42Å; T85-T146 WeakPolarHBondContact OG1-CG2 3.35Å; T85-N147 PolarHBondContact O-N 2.7Å
86N73.3Confident65Low120 Ų12068.7 Ų68.764%0.64243%0.426SS*.EExtended strand (participates in β ladder)trans-115.7115.7175.9-70.6-30.8000109.2N147N86-N147 WeakPolarHBondContact CA-O 3.38Å; N86-N147 WeakPolarHBondContact OD1-CB 3.03Å; N86-N147 PolarHBondContact OD1-ND2 3.14Å
87S68Low65.2Low36 Ų3669.1 Ų69.125%0.25243%0.426SS..EExtended strand (participates in β ladder)trans-120.3124.1-176.5-64.90000110.6N147 S148 T149S87-N147 PolarHBondContact N-O 2.65Å; S87-S148 WeakPolarHBondContact O-CA 3.32Å; S87-T149 PolarHBondContact O-N 3.36Å
88T73.8Confident65.4Low111 Ų11171.6 Ų71.668%0.68144%0.442SS*.EExtended strand (participates in β ladder)trans-117.8117.1169.6-570000108.7T149T88-T149 CarbonylContact C-O 3.5Å; T88-T149 WeakPolarHBondContact CA-O 3.3Å
89I68.1Low65.5Low52 Ų5271 Ų7127%0.26744%0.439SS..EExtended strand (participates in β ladder)trans-122.8120.2-176.9-50176.1000109F97 T99 T149 I150 T151I89-F97 HydrophobicContact CG2-CE2 4.12Å; I89-F97 HydrophobicContact CG2-CZ 3.66Å; I89-T99 HydrophobicContact CD1-CG2 4.34Å; I89-T149 PolarHBondContact N-O 3.37Å; I89-I150 CarbonylContact O-C 3.57Å; I89-I150 WeakPolarHBondContact O-CA 2.94Å; I89-T151 PolarHBondContact O-N 2.54Å
90T69.2Low65.6Low103 Ų10371.6 Ų71.663%0.63244%0.443SS*.EExtended strand (participates in β ladder)trans-118.2126.2176.6-50.40000110.1T151T90-T151 CarbonylContact C-O 3.5Å; T90-T151 WeakPolarHBondContact CA-O 3.16Å
91A63.4Low65.5Low12 Ų1272.2 Ų72.210%0.09945%0.445CS..EExtended strand (participates in β ladder)trans-126132.9174.500000111.2F97 T151 A152 S153A91-F97 HydrophobicContact CB-CD2 3.47Å; A91-F97 VanDerWaalsContact CB-CD2 3.47Å; A91-F97 HydrophobicContact CB-CE2 3.4Å; A91-F97 VanDerWaalsContact CB-CE2 3.4Å; A91-F97 HydrophobicContact CB-CG 4.19Å; A91-F97 HydrophobicContact CB-CZ 4.02Å; A91-T151 PolarHBondContact N-O 2.89Å; A91-A152 CarbonylContact O-C 3.58Å; A91-A152 VanDerWaalsContact O-CA 3.28Å; A91-A152 WeakPolarHBondContact O-CA 3.48Å; A91-S153 PolarHBondContact O-N 2.66Å; A91-S153 PolarHBondContact O-OG 2.86Å
92S62.5Low65.6Low85 Ų8571.6 Ų71.659%0.59444%0.439SS*.EExtended strand (participates in β ladder)trans-133.7126.117847.20000109.5S153S92-S153 WeakPolarHBondContact CA-O 3.44Å
93A59.3Low65.3Low81 Ų8166.9 Ų66.967%0.66942%0.415SS*.SBendtrans63.758.9174.800000116.7S153A93-S153 PolarHBondContact N-O 3.09Å
94T60.1Low65Low61 Ų6169.4 Ų69.437%0.37443%0.431SS..  trans-126.1145.9173.255.40000112T155T94-T155 WeakPolarHBondContact O-CA 3.38Å; T94-T155 VanDerWaalsContact O-CB 3.23Å; T94-T155 WeakPolarHBondContact O-CB 3.44Å; T94-T155 WeakPolarHBondContact O-CG2 3.32Å; T94-T155 WeakPolarHBondContact OG1-CG2 3.49Å
95T63.6Low64.4Low105 Ų10566.1 Ų66.164%0.64441%0.407SS*.SBendtrans-67.9-44.9-179.4470000111.9T156 N157T95-T156 WeakPolarHBondContact CA-OG1 3.06Å; T95-T156 PolarHBondContact O-N 2.64Å; T95-T156 VanDerWaalsContact O-N 3.13Å; T95-T156 PolarHBondContact O-OG1 2.74Å; T95-N157 PolarHBondContact O-N 3.38Å
96N70Confident63.7Low95 Ų9567.3 Ų67.351%0.50841%0.412SS..EExtended strand (participates in β ladder)trans-129.1135.5176.2-61.7-33000109.7N157N96-N157 WeakPolarHBondContact CA-O 3.44Å; N96-N157 WeakPolarHBondContact OD1-CB 3.5Å; N96-N157 PolarHBondContact OD1-ND2 3.02Å
97F67.8Low62.9Low27 Ų2763.4 Ų63.412%0.11840%0.4CS..EExtended strand (participates in β ladder)trans-124.5121.3174.3179.8-102.8000109.3I89 A91 T99 I150 T155 N157 F158 T159I89-F97 HydrophobicContact CG2-CE2 4.12Å; I89-F97 HydrophobicContact CG2-CZ 3.66Å; A91-F97 HydrophobicContact CB-CD2 3.47Å; A91-F97 VanDerWaalsContact CB-CD2 3.47Å; A91-F97 HydrophobicContact CB-CE2 3.4Å; A91-F97 VanDerWaalsContact CB-CE2 3.4Å; A91-F97 HydrophobicContact CB-CG 4.19Å; A91-F97 HydrophobicContact CB-CZ 4.02Å; F97-T99 HydrophobicContact CD1-CG2 3.9Å; F97-T99 HydrophobicContact CE1-CG2 3.12Å; F97-T99 HydrophobicContact CE2-CG2 3.84Å; F97-T99 HydrophobicContact CZ-CG2 3.09Å; F97-I150 HydrophobicContact CE1-CG2 3.8Å; F97-I150 HydrophobicContact CZ-CG2 4.2Å; F97-T155 HydrophobicContact CB-CG2 4.5Å; F97-N157 PolarHBondContact N-O 2.92Å; F97-F158 HydrophobicContact CB-CD2 4.39Å; F97-F158 AromaticContact CD1-CD2 3.44Å; F97-F158 HydrophobicContact CD1-CD2 3.44Å; F97-F158 VanDerWaalsContact CD1-CD2 3.44Å; F97-F158 AromaticContact CD1-CE2 3.27Å; F97-F158 HydrophobicContact CD1-CE2 3.27Å; F97-F158 HydrophobicContact CD1-CG 4.43Å; F97-F158 HydrophobicContact CD1-CZ 4.17Å; F97-F158 HydrophobicContact CE1-CD2 4.08Å; F97-F158 AromaticContact CE1-CE2 3.42Å; F97-F158 HydrophobicContact CE1-CE2 3.42Å; F97-F158 VanDerWaalsContact CE1-CE2 3.42Å; F97-F158 HydrophobicContact CE1-CZ 4.09Å; F97-F158 HydrophobicContact CG-CD2 4.31Å; F97-F158 HydrophobicContact CG-CE2 4.44Å; F97-T159 PolarHBondContact O-N 2.89Å
98T68.4Low62.5Low98 Ų9862.5 Ų62.560%0.60139%0.391SS*.EExtended strand (participates in β ladder)trans-128.8126.6179.1-53.40000109.1T159T98-T159 VanDerWaalsContact CA-O 3.26Å; T98-T159 WeakPolarHBondContact CA-O 3.41Å
99T64.7Low61.7Low14 Ų1461.9 Ų61.99%0.08638%0.384CS..EExtended strand (participates in β ladder)trans-127.6138.8172.792.40000109.8I89 F97 T159 T160 T161I89-T99 HydrophobicContact CD1-CG2 4.34Å; F97-T99 HydrophobicContact CD1-CG2 3.9Å; F97-T99 HydrophobicContact CE1-CG2 3.12Å; F97-T99 HydrophobicContact CE2-CG2 3.84Å; F97-T99 HydrophobicContact CZ-CG2 3.09Å; T99-T159 PolarHBondContact N-O 2.67Å; T99-T160 PolarHBondContact OG1-OG1 3.4Å; T99-T161 PolarHBondContact O-N 2.87Å
100T63.8Low61.2Low93 Ų9360.3 Ų60.357%0.57138%0.376SS*.EExtended strand (participates in β ladder)trans-129.6117.5174.9-540000107.8T161T100-T161 WeakPolarHBondContact CA-O 3.34Å
101T59Low60.3Low27 Ų2758.3 Ų58.317%0.16637%0.366CS..EExtended strand (participates in β ladder)trans-109.5123.1172.6-490000107.2T161 T163T101-T161 PolarHBondContact N-O 3.13Å; T101-T163 PolarHBondContact O-N 2.71Å
102T59.7Low59.8Low84 Ų8459.8 Ų59.852%0.51537%0.37SS..EExtended strand (participates in β ladder)trans-127.5123177.9-50.40000108.8T104 T163T102-T104 HydrophobicContact CG2-CG2 4.16Å; T102-T163 WeakPolarHBondContact CA-O 3.39Å
103T58.3Low59.3Low22 Ų2259 Ų5914%0.13536%0.364CS..EExtended strand (participates in β ladder)trans-117.4126.1171.546.40000108.2T85 T146 T165T85-T103 HydrophobicContact CG2-CG2 4.06Å; T103-T146 HydrophobicContact CG2-CG2 4.13Å; T103-T165 PolarHBondContact O-N 3.43Å; T103-T165 VanDerWaalsContact O-N 3.12Å
104T57.2Low59.4Low104 Ų10456.3 Ų56.364%0.63834%0.341SS*.EExtended strand (participates in β ladder)trans-125.2126.9178.2560000109.2T102 T165T102-T104 HydrophobicContact CG2-CG2 4.16Å; T104-T165 WeakPolarHBondContact CA-O 3.4Å
105T55.9Low59.5Low18 Ų1853.9 Ų53.911%0.1133%0.325CS..  trans-97160.5168.848.80000110.3V83 P142 V144V83-T105 HydrophobicContact CG2-CG2 4.31Å; T105-P142 HydrophobicContact CG2-CG 3.83Å; T105-V144 HydrophobicContact CG2-CG2 3.78Å
106D52.2Low59.8Low66 Ų6651.5 Ų51.535%0.35331%0.309SS..  trans-78.5169.3175.158.4-11.9000111.5T167D106-T167 CarbonylContact C-O 3.35Å
107G55.1Low59.8Low37 Ų3747.2 Ų47.238%0.38129%0.286SS..  trans-140.4146.5-179.500000113.1D168G107-D168 VanDerWaalsContact CA-OD1 3.3Å; G107-D168 WeakPolarHBondContact CA-OD1 3.34Å
108F60.2Low60Low17 Ų1748.2 Ų48.28%0.07530%0.3CS..  trans-78.1120.5-176.5180-96.2000113V76 D78 Q110 V137 D139 G169 F170 N171V76-F108 HydrophobicContact CG1-CE2 3.81Å; V76-F108 HydrophobicContact CG1-CZ 4.17Å; D78-F108 HydrophobicContact CB-CD2 4.1Å; F108-Q110 HydrophobicContact CE1-CB 3.76Å; F108-Q110 HydrophobicContact CZ-CB 3.96Å; F108-V137 HydrophobicContact CE1-CG1 3.76Å; F108-V137 HydrophobicContact CE2-CG1 4.4Å; F108-V137 HydrophobicContact CZ-CG1 3.58Å; F108-D139 WeakPolarHBondContact CB-OD2 3.1Å; F108-G169 VanDerWaalsContact O-O 3.14Å; F108-F170 AromaticContact CD1-CD2 3.48Å; F108-F170 HydrophobicContact CD1-CD2 3.48Å; F108-F170 VanDerWaalsContact CD1-CD2 3.48Å; F108-F170 AromaticContact CD1-CE2 3.5Å; F108-F170 HydrophobicContact CD1-CE2 3.5Å; F108-F170 HydrophobicContact CD1-CG 4.38Å; F108-F170 HydrophobicContact CD1-CZ 4.42Å; F108-F170 HydrophobicContact CE1-CD2 4.01Å; F108-F170 AromaticContact CE1-CE2 3.5Å; F108-F170 HydrophobicContact CE1-CE2 3.5Å; F108-F170 HydrophobicContact CE1-CZ 4.18Å; F108-F170 HydrophobicContact CG-CD2 4.33Å; F108-N171 PolarHBondContact O-N 2.67Å
109N57.7Low60.3Low99 Ų9943.7 Ų43.753%0.52927%0.271SS..EExtended strand (participates in β ladder)trans-126.5112.8176.5-161.2-39.9000112.3N171N109-N171 WeakPolarHBondContact CA-O 3.11Å; N109-N171 PolarHBondContact OD1-O 3.14Å
110Q56.6Low60.8Low19 Ų1945.3 Ų45.39%0.08928%0.283CS..EExtended strand (participates in β ladder)trans-112.1107.9177.6-173.8-179.783.200111.1F108 N171 S173F108-Q110 HydrophobicContact CE1-CB 3.76Å; F108-Q110 HydrophobicContact CZ-CB 3.96Å; Q110-N171 PolarHBondContact N-O 3.13Å; Q110-S173 PolarHBondContact O-N 2.73Å; Q110-S173 VanDerWaalsContact O-N 3.15Å
111S50.8Low61.5Low61 Ų6141.1 Ų41.143%0.42726%0.259SS..  trans-119.5112.5174.556.50000112.2S173S111-S173 WeakPolarHBondContact CA-O 3.06Å
112K53.5Low62.4Low43 Ų4341.6 Ų41.619%0.18726%0.263CS..  trans-131.8172.2177.3-79.9-174179.51740111.8F50 K174 S175F50-K112 HydrophobicContact CB-CG 4.43Å; F50-K112 HydrophobicContact CD1-CG 4.41Å; F50-K112 HydrophobicContact CG-CG 4.37Å; K112-K174 CarbonylContact C-O 3.56Å; K112-K174 PolarHBondContact N-O 3.49Å; K112-K174 CarbonylContact O-C 3.51Å; K112-S175 WeakPolarHBondContact O-CB 2.96Å
113S52.3Low63.3Low68 Ų6837.6 Ų37.648%0.47624%0.238SC..SBendtrans-111.2-10.5177.937.90000116.8S52S52-S113 VanDerWaalsContact CA-OG 3.24Å; S52-S113 WeakPolarHBondContact CA-OG 3.43Å; S52-S113 WeakPolarHBondContact O-CB 3.09Å; S52-S113 PolarHBondContact O-OG 2.68Å
114S60.1Low64Low25 Ų2538.8 Ų38.818%0.17525%0.246CC..EExtended strand (participates in β ladder)trans174.9143.3163.544.30000111.5L54L54-S114 PolarHBondContact N-O 2.79Å
115L63.7Low64.5Low9 Ų938.3 Ų38.35%0.04724%0.243CC..EExtended strand (participates in β ladder)trans-124.7117.7173173.760.4000109.4L54 V56 Y74 V117 Y135 S176 L177 N178L54-L115 HydrophobicContact CB-CD1 4.12Å; L54-L115 HydrophobicContact CD2-CD1 3.98Å; L54-L115 HydrophobicContact CG-CD1 4.05Å; V56-L115 HydrophobicContact CG2-CD1 4.4Å; Y74-L115 HydrophobicContact CE1-CD2 4.46Å; L115-V117 HydrophobicContact CD1-CG2 3.93Å; L115-V117 HydrophobicContact CD2-CG2 4.24Å; L115-V117 HydrophobicContact CG-CG2 3.88Å; L115-Y135 HydrophobicContact CD2-CE2 3.71Å; L115-S176 PolarHBondContact N-O 2.71Å; L115-L177 HydrophobicContact CB-CD1 4.05Å; L115-L177 HydrophobicContact CD2-CD1 3.79Å; L115-L177 HydrophobicContact CG-CD1 3.79Å; L115-L177 WeakPolarHBondContact O-CA 3.06Å; L115-N178 PolarHBondContact O-N 2.76Å; L115-N178 VanDerWaalsContact O-N 3.09Å
116N70.1Confident64.9Low55 Ų5537.5 Ų37.529%0.29424%0.238SC..EExtended strand (participates in β ladder)trans-111.8123.3173.5-57.1-59.8000109.9L54 N55 V56 N178L54-N116 PolarHBondContact O-N 3.47Å; L54-N116 VanDerWaalsContact O-N 3.13Å; N55-N116 WeakPolarHBondContact OD1-CB 3.01Å; N55-N116 PolarHBondContact OD1-ND2 2.69Å; V56-N116 PolarHBondContact N-O 3.26Å; N116-N178 WeakPolarHBondContact CA-O 3.36Å; N116-N178 WeakPolarHBondContact OD1-CB 3.19Å; N116-N178 PolarHBondContact OD1-ND2 3.41Å
117V69.8Low66.1Low5 Ų536.8 Ų36.83%0.0324%0.239CC..EExtended strand (participates in β ladder)trans-120.7120.1-179.9-1740000109.4V56 L115 V119 F133 N178 V179 A180V56-V117 HydrophobicContact CB-CG1 4.49Å; V56-V117 HydrophobicContact CB-CG2 4.41Å; V56-V117 WeakPolarHBondContact O-CA 3.46Å; L115-V117 HydrophobicContact CD1-CG2 3.93Å; L115-V117 HydrophobicContact CD2-CG2 4.24Å; L115-V117 HydrophobicContact CG-CG2 3.88Å; V117-V119 HydrophobicContact CG1-CG2 4.01Å; V117-F133 HydrophobicContact CB-CZ 4.5Å; V117-F133 HydrophobicContact CG1-CE2 3.6Å; V117-F133 HydrophobicContact CG1-CZ 3.75Å; V117-N178 PolarHBondContact N-O 3.26Å; V117-V179 HydrophobicContact CB-CG1 4.35Å; V117-V179 HydrophobicContact CB-CG2 4.46Å; V117-V179 WeakPolarHBondContact O-CA 3.41Å; V117-A180 PolarHBondContact O-N 3.23Å
118A71.8Confident67.3Low49 Ų4936.8 Ų36.841%0.40523%0.231SC..EExtended strand (participates in β ladder)trans-121.2115.6175.300000110V56 A57 V58 A180V56-A118 PolarHBondContact O-N 2.94Å; A57-A118 WeakPolarHBondContact CA-O 3.33Å; V58-A118 PolarHBondContact N-O 2.66Å; A118-A180 WeakPolarHBondContact CA-O 3.3Å
119V73.5Confident68.5Low2 Ų236 Ų361%0.01223%0.227CC..EExtended strand (participates in β ladder)trans-118.6126.3178.2-1750000109.6V58 V117 F133 A180 V181 S182V58-V119 HydrophobicContact CB-CG1 4.41Å; V58-V119 HydrophobicContact CB-CG2 4.35Å; V58-V119 WeakPolarHBondContact O-CA 3.46Å; V117-V119 HydrophobicContact CG1-CG2 4.01Å; V119-F133 HydrophobicContact CG2-CD2 3.71Å; V119-F133 HydrophobicContact CG2-CE2 3.8Å; V119-A180 PolarHBondContact N-O 3.46Å; V119-V181 HydrophobicContact CB-CG2 4.47Å; V119-V181 WeakPolarHBondContact O-CA 3.25Å; V119-S182 PolarHBondContact O-N 3.04Å; V119-S182 PolarHBondContact O-OG 2.7Å
120S76.1Confident69.6Low48 Ų4833.7 Ų33.734%0.33622%0.215SC..EExtended strand (participates in β ladder)trans-130.6134.8177.759.50000111.3V58 S59 A60 S182V58-S120 PolarHBondContact O-N 3.36Å; V58-S120 PolarHBondContact O-OG 3.39Å; S59-S120 WeakPolarHBondContact CA-O 3.04Å; S59-S120 WeakPolarHBondContact CB-OG 2.93Å; A60-S120 PolarHBondContact N-O 2.69Å; S120-S182 WeakPolarHBondContact CA-O 3.21Å
121A78.4Confident70.8Confident6 Ų633.1 Ų33.15%0.0521%0.213CC..EExtended strand (participates in β ladder)trans-137.9143172.500000112.7A60 F68 Q70 F129 Q131 S182 A183 S184A60-A121 WeakPolarHBondContact O-CA 3.26Å; F68-A121 HydrophobicContact CE1-CB 3.54Å; F68-A121 HydrophobicContact CZ-CB 3.58Å; Q70-A121 VanDerWaalsContact OE1-CB 3.31Å; A121-F129 HydrophobicContact CB-CE2 3.89Å; A121-F129 HydrophobicContact CB-CZ 3.63Å; A121-Q131 VanDerWaalsContact CB-NE2 3.31Å; A121-S182 PolarHBondContact N-O 2.82Å; A121-A183 WeakPolarHBondContact O-CA 3.3Å; A121-S184 PolarHBondContact O-N 3.43Å
122S78.1Confident71.9Confident36 Ų3631.5 Ų31.525%0.25221%0.206SC..EExtended strand (participates in β ladder)trans-139.3137.4175.259.80000111.9A60 S61 N62 S184A60-S122 PolarHBondContact O-N 2.77Å; A60-S122 VanDerWaalsContact O-N 3.1Å; S61-S122 WeakPolarHBondContact CA-O 3.48Å; S61-S122 WeakPolarHBondContact CB-OG 3.31Å; N62-S122 PolarHBondContact N-O 3.25Å; N62-S122 VanDerWaalsContact N-O 3.08Å; S122-S184 WeakPolarHBondContact CA-O 3.5Å
123N79.2Confident73.1Confident0 Ų029.5 Ų29.50%020%0.197CC..  trans-127.983.9168.3-17113.2000109.2N62 G65 F68 V125 G126 T128 F129 S184 N185N62-N123 PolarHBondContact O-OD1 3.1Å; G65-N123 PolarHBondContact O-OD1 2.77Å; F68-N123 HydrophobicContact CB-CB 3.79Å; F68-N123 VanDerWaalsContact CB-ND2 3.3Å; F68-N123 WeakPolarHBondContact CB-ND2 3.32Å; F68-N123 HydrophobicContact CG-CB 4.11Å; N123-V125 PolarHBondContact O-N 3.35Å; N123-V125 VanDerWaalsContact O-N 3.16Å; N123-G126 WeakPolarHBondContact ND2-CA 3.47Å; N123-G126 PolarHBondContact OD1-N 2.46Å; N123-T128 PolarHBondContact ND2-O 2.96Å; N123-F129 HydrophobicContact CB-CD2 3.68Å; N123-F129 HydrophobicContact CB-CE2 4.36Å; N123-S184 PolarHBondContact N-O 3.16Å; N123-N185 PolarHBondContact O-OD1 3.46Å
124P72.4Confident74.3Confident47 Ų4728.8 Ų28.831%0.30519%0.19SC..THydrogen-bonded Turntrans-58.9-26.4-173.2-25.333.5000115.6
125V67.6Low75Confident95 Ų9528 Ų2858%0.57618%0.183SC*.THydrogen-bonded Turntrans-142.335.4-169.3-150.70000113.7P63 N123P63-V125 WeakPolarHBondContact O-CG2 3.03Å; N123-V125 PolarHBondContact O-N 3.35Å; N123-V125 VanDerWaalsContact O-N 3.16Å
126G64.7Low75.4Confident1 Ų128.3 Ų28.31%0.0119%0.188CC..  trans-123.5140.7-175.500000115.6G65 S66 N123 T128 N185 G188G65-G126 WeakPolarHBondContact O-CA 3.06Å; S66-G126 CarbonylContact O-C 3.59Å; N123-G126 WeakPolarHBondContact ND2-CA 3.47Å; N123-G126 PolarHBondContact OD1-N 2.46Å; G126-T128 VanDerWaalsContact C-N 3.33Å; G126-T128 PolarHBondContact O-N 3Å; G126-N185 PolarHBondContact O-ND2 3.43Å; G126-N185 PolarHBondContact O-OD1 3.32Å; G126-G188 WeakPolarHBondContact O-CA 3.47Å
127S77.6Confident75.4Confident51 Ų5125.7 Ų25.736%0.35717%0.174SC..SBendtrans-60.3-33.3-178.145.90000114.8S66 S189 T190S66-S127 WeakPolarHBondContact O-CA 2.95Å; S66-S127 PolarHBondContact O-N 2.73Å; S66-S127 PolarHBondContact O-OG 2.84Å; S127-S189 WeakPolarHBondContact CB-OG 3.17Å; S127-S189 PolarHBondContact O-N 3.07Å; S127-S189 PolarHBondContact O-OG 3.45Å; S127-T190 PolarHBondContact O-N 2.89Å
128T80.3Confident75.5Confident36 Ų3627.7 Ų27.722%0.22119%0.187CC..EExtended strand (participates in β ladder)trans-133.5131.5-175-540000111.1S66 T67 F68 N123 G126 T190S66-T128 PolarHBondContact O-N 3.49Å; T67-T128 WeakPolarHBondContact CA-O 3.43Å; T67-T128 HydrophobicContact CG2-CG2 4.44Å; F68-T128 PolarHBondContact N-O 2.76Å; N123-T128 PolarHBondContact ND2-O 2.96Å; G126-T128 VanDerWaalsContact C-N 3.33Å; G126-T128 PolarHBondContact O-N 3Å; T128-T190 WeakPolarHBondContact CA-O 3.48Å
129F84.4Confident75.3Confident0 Ų025.5 Ų25.50%017%0.168CC..EExtended strand (participates in β ladder)trans-126.1123.4176.2-179.6-79.8000110.5F68 A121 N123 Q131 A183 N185 T190 F191 N192F68-F129 HydrophobicContact CB-CD2 4.28Å; F68-F129 AromaticContact CD1-CD2 3.37Å; F68-F129 HydrophobicContact CD1-CD2 3.37Å; F68-F129 AromaticContact CD1-CE2 3.33Å; F68-F129 HydrophobicContact CD1-CE2 3.33Å; F68-F129 HydrophobicContact CD1-CG 4.14Å; F68-F129 HydrophobicContact CD1-CZ 4.05Å; F68-F129 AromaticContact CE1-CD2 4Å; F68-F129 HydrophobicContact CE1-CD2 4Å; F68-F129 AromaticContact CE1-CE2 3.43Å; F68-F129 HydrophobicContact CE1-CE2 3.43Å; F68-F129 VanDerWaalsContact CE1-CE2 3.43Å; F68-F129 AromaticContact CE1-CZ 3.88Å; F68-F129 HydrophobicContact CE1-CZ 3.88Å; F68-F129 HydrophobicContact CG-CD2 4.07Å; F68-F129 HydrophobicContact CG-CE2 4.26Å; F68-F129 HydrophobicContact CZ-CE2 4.4Å; F68-F129 CarbonylContact O-C 3.58Å; F68-F129 WeakPolarHBondContact O-CA 3Å; A121-F129 HydrophobicContact CB-CE2 3.89Å; A121-F129 HydrophobicContact CB-CZ 3.63Å; N123-F129 HydrophobicContact CB-CD2 3.68Å; N123-F129 HydrophobicContact CB-CE2 4.36Å; F129-Q131 HydrophobicContact CE1-CB 3.52Å; F129-Q131 HydrophobicContact CZ-CB 3.89Å; F129-A183 HydrophobicContact CE1-CB 3.44Å; F129-A183 VanDerWaalsContact CE1-CB 3.44Å; F129-A183 HydrophobicContact CZ-CB 3.41Å; F129-A183 VanDerWaalsContact CZ-CB 3.41Å; F129-N185 HydrophobicContact CB-CB 3.85Å; F129-N185 WeakPolarHBondContact CB-ND2 3.2Å; F129-N185 HydrophobicContact CD2-CB 4.28Å; F129-N185 HydrophobicContact CG-CB 4.13Å; F129-T190 PolarHBondContact N-O 2.95Å; F129-F191 HydrophobicContact CB-CD2 4.16Å; F129-F191 AromaticContact CD1-CD2 3.51Å; F129-F191 HydrophobicContact CD1-CD2 3.51Å; F129-F191 AromaticContact CD1-CE2 3.45Å; F129-F191 HydrophobicContact CD1-CE2 3.45Å; F129-F191 VanDerWaalsContact CD1-CE2 3.45Å; F129-F191 HydrophobicContact CD1-CG 4.26Å; F129-F191 HydrophobicContact CD1-CZ 4.12Å; F129-F191 HydrophobicContact CE1-CD2 4.14Å; F129-F191 AromaticContact CE1-CE2 3.57Å; F129-F191 HydrophobicContact CE1-CE2 3.57Å; F129-F191 AromaticContact CE1-CZ 3.99Å; F129-F191 HydrophobicContact CE1-CZ 3.99Å; F129-F191 AromaticContact CG-CD2 3.95Å; F129-F191 HydrophobicContact CG-CD2 3.95Å; F129-F191 HydrophobicContact CG-CE2 4.14Å; F129-F191 HydrophobicContact CZ-CE2 4.32Å; F129-F191 WeakPolarHBondContact O-CA 3.44Å; F129-N192 PolarHBondContact O-N 3.29Å
130N81.8Confident75.1Confident52 Ų5227.8 Ų27.828%0.27818%0.182SC..EExtended strand (participates in β ladder)trans-127.5119.5173.3-59.4-55.4000109.5F68 N69 Q70 N192F68-N130 PolarHBondContact O-N 3.07Å; N69-N130 WeakPolarHBondContact CA-O 3.23Å; N69-N130 WeakPolarHBondContact OD1-CB 3.42Å; N69-N130 PolarHBondContact OD1-ND2 3.29Å; Q70-N130 PolarHBondContact N-O 3.33Å; N130-N192 WeakPolarHBondContact CA-O 3.48Å; N130-N192 WeakPolarHBondContact OD1-CB 3.5Å; N130-N192 PolarHBondContact OD1-ND2 2.77Å
131Q80.1Confident74.5Confident6 Ų625.9 Ų25.93%0.02817%0.169CC..EExtended strand (participates in β ladder)trans-122.6125.2170.1-178.6-175.265.200110.2Q70 A121 F129 S182 A183 N192 Q193 G194Q70-Q131 VanDerWaalsContact O-CA 3.28Å; Q70-Q131 WeakPolarHBondContact O-CA 2.97Å; Q70-Q131 VanDerWaalsContact OE1-NE2 3.07Å; A121-Q131 VanDerWaalsContact CB-NE2 3.31Å; F129-Q131 HydrophobicContact CE1-CB 3.52Å; F129-Q131 HydrophobicContact CZ-CB 3.89Å; Q131-S182 PolarHBondContact NE2-O 2.61Å; Q131-A183 VanDerWaalsContact OE1-CB 3.3Å; Q131-N192 PolarHBondContact N-O 2.83Å; Q131-Q193 CarbonylContact O-C 3.42Å; Q131-Q193 VanDerWaalsContact O-CA 3.29Å; Q131-Q193 WeakPolarHBondContact O-CA 3.33Å; Q131-G194 PolarHBondContact O-N 3.15Å
132G75.9Confident73.8Confident28 Ų2825.7 Ų25.729%0.28917%0.168SC..EExtended strand (participates in β ladder)trans-118.5131.9169.400000110.8Q70 F72Q70-G132 PolarHBondContact O-N 3.49Å; F72-G132 PolarHBondContact N-O 3.18Å
133F77.7Confident73.4Confident1 Ų127.6 Ų27.60%0.00418%0.175CC..EExtended strand (participates in β ladder)trans-121.7122.9167.8179.6-89.9000109.7F72 V117 V119 V179 V181 G194 F195 T196F72-F133 HydrophobicContact CB-CD2 4.44Å; F72-F133 AromaticContact CD1-CD2 3.52Å; F72-F133 HydrophobicContact CD1-CD2 3.52Å; F72-F133 AromaticContact CD1-CE2 3.38Å; F72-F133 HydrophobicContact CD1-CE2 3.38Å; F72-F133 HydrophobicContact CE1-CD2 4.27Å; F72-F133 AromaticContact CE1-CE2 3.65Å; F72-F133 HydrophobicContact CE1-CE2 3.65Å; F72-F133 HydrophobicContact CG-CD2 4.4Å; F72-F133 WeakPolarHBondContact O-CA 3.22Å; V117-F133 HydrophobicContact CB-CZ 4.5Å; V117-F133 HydrophobicContact CG1-CE2 3.6Å; V117-F133 HydrophobicContact CG1-CZ 3.75Å; V119-F133 HydrophobicContact CG2-CD2 3.71Å; V119-F133 HydrophobicContact CG2-CE2 3.8Å; F133-V179 HydrophobicContact CE1-CG1 3.95Å; F133-V179 HydrophobicContact CZ-CG1 4.09Å; F133-V181 HydrophobicContact CB-CG2 4.36Å; F133-V181 HydrophobicContact CD1-CG2 4.36Å; F133-V181 HydrophobicContact CG-CG2 4.15Å; F133-G194 PolarHBondContact N-O 3.14Å; F133-F195 HydrophobicContact CB-CD2 4.27Å; F133-F195 AromaticContact CD1-CD2 3.39Å; F133-F195 HydrophobicContact CD1-CD2 3.39Å; F133-F195 AromaticContact CD1-CE2 3.19Å; F133-F195 HydrophobicContact CD1-CE2 3.19Å; F133-F195 HydrophobicContact CD1-CG 4.43Å; F133-F195 HydrophobicContact CD1-CZ 4.12Å; F133-F195 HydrophobicContact CE1-CD2 4.11Å; F133-F195 AromaticContact CE1-CE2 3.42Å; F133-F195 HydrophobicContact CE1-CE2 3.42Å; F133-F195 VanDerWaalsContact CE1-CE2 3.42Å; F133-F195 HydrophobicContact CE1-CZ 4.06Å; F133-F195 HydrophobicContact CG-CD2 4.16Å; F133-F195 HydrophobicContact CG-CE2 4.25Å; F133-F195 WeakPolarHBondContact O-CA 3.45Å; F133-T196 PolarHBondContact O-N 3.37Å
134T77.9Confident72.9Confident52 Ų5227.7 Ų27.732%0.31918%0.176SC..EExtended strand (participates in β ladder)trans-124.9122.5175.9-570000109.3F72 T73 Y74 T196F72-T134 PolarHBondContact O-N 3.46Å; T73-T134 WeakPolarHBondContact CA-O 3.03Å; T73-T134 HydrophobicContact CG2-CG2 4.43Å; Y74-T134 PolarHBondContact N-O 3.01Å; T134-T196 WeakPolarHBondContact CA-O 3.26Å
135Y74.3Confident73Confident9 Ų927.1 Ų27.14%0.03517%0.173CC..EExtended strand (participates in β ladder)trans-106.3117.9163.6179.8-85000107.5Y74 L115 V137 T196 Y197 G198Y74-Y135 AromaticContact CD1-CD2 3.51Å; Y74-Y135 HydrophobicContact CD1-CD2 3.51Å; Y74-Y135 AromaticContact CD1-CE2 3.42Å; Y74-Y135 HydrophobicContact CD1-CE2 3.42Å; Y74-Y135 VanDerWaalsContact CD1-CE2 3.42Å; Y74-Y135 HydrophobicContact CE1-CD2 4.17Å; Y74-Y135 AromaticContact CE1-CE2 3.57Å; Y74-Y135 HydrophobicContact CE1-CE2 3.57Å; Y74-Y135 HydrophobicContact CG-CD2 4.39Å; Y74-Y135 WeakPolarHBondContact O-CA 3.4Å; L115-Y135 HydrophobicContact CD2-CE2 3.71Å; Y135-V137 HydrophobicContact CE1-CG2 3.98Å; Y135-T196 PolarHBondContact N-O 2.86Å; Y135-Y197 AromaticContact CD1-CD2 3.44Å; Y135-Y197 HydrophobicContact CD1-CD2 3.44Å; Y135-Y197 VanDerWaalsContact CD1-CD2 3.44Å; Y135-Y197 AromaticContact CD1-CE2 3.34Å; Y135-Y197 HydrophobicContact CD1-CE2 3.34Å; Y135-Y197 HydrophobicContact CD1-CG 4.38Å; Y135-Y197 HydrophobicContact CE1-CD2 4.1Å; Y135-Y197 AromaticContact CE1-CE2 3.48Å; Y135-Y197 HydrophobicContact CE1-CE2 3.48Å; Y135-Y197 VanDerWaalsContact CE1-CE2 3.48Å; Y135-Y197 HydrophobicContact CG-CD2 4.12Å; Y135-Y197 HydrophobicContact CG-CE2 4.29Å; Y135-Y197 WeakPolarHBondContact O-CA 3.5Å; Y135-G198 PolarHBondContact O-N 3.41Å
136G72Confident73.1Confident15 Ų1522.8 Ų22.816%0.15515%0.146CC..EExtended strand (participates in β ladder)trans-127.9134-178.900000111.1Y74 G75 V76 G198Y74-G136 PolarHBondContact O-N 2.87Å; G75-G136 VanDerWaalsContact CA-O 3.26Å; G75-G136 WeakPolarHBondContact CA-O 2.88Å; V76-G136 PolarHBondContact N-O 2.84Å; G136-G198 WeakPolarHBondContact CA-O 3.33Å
137V70.9Confident73.7Confident0 Ų025.4 Ų25.40%016%0.16CC..EExtended strand (participates in β ladder)trans-117.7124156.2-175.20000105.8V76 F108 Y135 F170 G198 V199 T200V76-V137 WeakPolarHBondContact O-CA 3.14Å; F108-V137 HydrophobicContact CE1-CG1 3.76Å; F108-V137 HydrophobicContact CE2-CG1 4.4Å; F108-V137 HydrophobicContact CZ-CG1 3.58Å; Y135-V137 HydrophobicContact CE1-CG2 3.98Å; V137-F170 HydrophobicContact CG1-CE2 3.75Å; V137-F170 HydrophobicContact CG1-CZ 4.27Å; V137-G198 PolarHBondContact N-O 2.91Å; V137-V199 HydrophobicContact CB-CG2 4.5Å; V137-V199 WeakPolarHBondContact O-CA 3.21Å; V137-T200 PolarHBondContact O-N 2.77Å
138T70.8Confident73.4Confident47 Ų4723.3 Ų23.329%0.28815%0.145SC..EExtended strand (participates in β ladder)trans-123.6118175.5-56.90000106.6V76 T77 D78 T200V76-T138 PolarHBondContact O-N 2.69Å; T77-T138 VanDerWaalsContact CA-O 3.3Å; T77-T138 WeakPolarHBondContact CA-O 3.07Å; D78-T138 PolarHBondContact N-O 2.73Å; T138-T200 WeakPolarHBondContact CA-O 3.29Å
139D68.5Low73.3Confident4 Ų424.4 Ų24.42%0.02115%0.152CC..  trans-99.5142.1163.6-158.10.4000108.3F108 F170 T200 T202F108-D139 WeakPolarHBondContact CB-OD2 3.1Å; D139-F170 HydrophobicContact CB-CD2 4.22Å; D139-T200 PolarHBondContact N-O 2.82Å; D139-T202 PolarHBondContact O-N 3.01Å
140T68.6Low72.8Confident49 Ų4924.5 Ų24.530%0.30115%0.153SC..  trans-146.1101.5177.1-53.90000107D78 A80D78-T140 PolarHBondContact O-N 2.67Å; A80-T140 PolarHBondContact N-O 2.96Å
141A63.3Low72.5Confident8 Ų824.4 Ų24.47%0.06615%0.154CC..PPolyproline II helixtrans-62.8156.5178.800000111.9D168 T202 P204A141-D168 VanDerWaalsContact CA-OD2 3.25Å; A141-D168 WeakPolarHBondContact CA-OD2 3.49Å; A141-D168 HydrophobicContact CB-CB 4.39Å; A141-D168 WeakPolarHBondContact CB-OD2 3.29Å; A141-T202 WeakPolarHBondContact CB-O 3.43Å; A141-T202 PolarHBondContact N-O 2.82Å; A141-P204 HydrophobicContact CB-CB 3.44Å; A141-P204 VanDerWaalsContact CB-CB 3.44Å; A141-P204 HydrophobicContact CB-CG 3.52Å; A141-P204 VanDerWaalsContact CB-N 3.28Å
142P64.7Low71.9Confident3 Ų324.1 Ų24.12%0.01915%0.153CC..PPolyproline II helixtrans-87.9127.8175.231.8-25.5000111.9A80 P81 V83 T105 V144 P204A80-P142 HydrophobicContact CB-CB 3.92Å; A80-P142 HydrophobicContact CB-CG 3.61Å; P81-P142 WeakPolarHBondContact O-CB 3.12Å; V83-P142 HydrophobicContact CG2-CB 4.43Å; V83-P142 HydrophobicContact CG2-CG 4.41Å; T105-P142 HydrophobicContact CG2-CG 3.83Å; P142-V144 WeakPolarHBondContact O-CG2 3.02Å; P142-V144 PolarHBondContact O-N 2.76Å; P142-P204 VanDerWaalsContact C-CB 3.48Å; P142-P204 WeakPolarHBondContact O-CB 3.33Å
143D68.8Low71.6Confident76 Ų7624.9 Ų24.941%0.40615%0.154SC..PPolyproline II helixtrans-53.2135.1176.7-73.5-13.8000111.5V83 D205V83-D143 PolarHBondContact N-O 2.79Å; D143-D205 PolarHBondContact OD1-N 3.17Å
144V68.4Low70.9Confident2 Ų227.8 Ų27.81%0.01218%0.178CC..EExtended strand (participates in β ladder)trans-112.4111-176.5-175.70000110.2T105 P142 T146 T164 T166 P204 D205 S207T105-V144 HydrophobicContact CG2-CG2 3.78Å; P142-V144 WeakPolarHBondContact O-CG2 3.02Å; P142-V144 PolarHBondContact O-N 2.76Å; V144-T146 HydrophobicContact CG1-CG2 4.07Å; V144-T164 HydrophobicContact CG1-CG2 4.29Å; V144-T166 HydrophobicContact CB-CG2 4.39Å; V144-T166 HydrophobicContact CG2-CG2 3.84Å; V144-P204 HydrophobicContact CG2-CB 4.46Å; V144-D205 PolarHBondContact N-O 3.08Å; V144-S207 PolarHBondContact O-N 2.97Å
145S74.5Confident70.1Confident35 Ų3525.4 Ų25.425%0.24516%0.163CC..EExtended strand (participates in β ladder)trans-112.1122.6171.260.70000111.3V83 S84 T85 S207V83-S145 PolarHBondContact O-N 3.18Å; S84-S145 WeakPolarHBondContact CA-O 2.84Å; S84-S145 WeakPolarHBondContact CA-OG 3.24Å; S84-S145 WeakPolarHBondContact CB-OG 3.19Å; T85-S145 PolarHBondContact N-O 3.24Å; S145-S207 WeakPolarHBondContact CA-OG 3.4Å; S145-S207 WeakPolarHBondContact CB-OG 2.92Å
146T69.9Low69.9Low3 Ų328 Ų282%0.01818%0.18CC..EExtended strand (participates in β ladder)trans-120.9113.917666.40000109.8T85 T103 V144 S207 T208 N209T85-T146 WeakPolarHBondContact O-CA 3.42Å; T85-T146 WeakPolarHBondContact OG1-CG2 3.35Å; T103-T146 HydrophobicContact CG2-CG2 4.13Å; V144-T146 HydrophobicContact CG1-CG2 4.07Å; T146-S207 PolarHBondContact N-O 2.76Å; T146-S207 PolarHBondContact OG1-O 3.45Å; T146-T208 WeakPolarHBondContact OG1-CA 3.31Å; T146-T208 WeakPolarHBondContact OG1-CG2 3.39Å; T146-N209 PolarHBondContact O-N 2.02Å
147N76.7Confident70.1Confident56 Ų5629.9 Ų29.930%0.29919%0.187SC..EExtended strand (participates in β ladder)trans-113.6116173.7-56.3-60.9000109.7T85 N86 S87 N209T85-N147 PolarHBondContact O-N 2.7Å; N86-N147 WeakPolarHBondContact CA-O 3.38Å; N86-N147 WeakPolarHBondContact OD1-CB 3.03Å; N86-N147 PolarHBondContact OD1-ND2 3.14Å; S87-N147 PolarHBondContact N-O 2.65Å; N147-N209 WeakPolarHBondContact CA-O 3Å; N147-N209 WeakPolarHBondContact OD1-CB 3.36Å; N147-N209 PolarHBondContact OD1-ND2 3.23Å
148S72.5Confident70.3Confident7 Ų729.9 Ų29.95%0.04919%0.187CC..EExtended strand (participates in β ladder)trans-119.6124-178.8-66.80000111.4S87 N209 S210 T211S87-S148 WeakPolarHBondContact O-CA 3.32Å; S148-N209 PolarHBondContact N-O 3.47Å; S148-S210 WeakPolarHBondContact O-CA 3.3Å; S148-T211 PolarHBondContact O-N 3.44Å
149T78.8Confident70.5Confident59 Ų5929.9 Ų29.936%0.36219%0.187SC..EExtended strand (participates in β ladder)trans-113.8113168.8-58.30000109.1S87 T88 I89 T211S87-T149 PolarHBondContact O-N 3.36Å; T88-T149 CarbonylContact C-O 3.5Å; T88-T149 WeakPolarHBondContact CA-O 3.3Å; I89-T149 PolarHBondContact N-O 3.37Å; T149-T211 CarbonylContact C-O 3.57Å; T149-T211 WeakPolarHBondContact CA-O 3.1Å
150I73.9Confident70.6Confident3 Ų329.7 Ų29.72%0.01519%0.186CC..EExtended strand (participates in β ladder)trans-117.2121.8-177.9-53.4176.5000109.1I89 F97 F158 T211 I212 T213I89-I150 CarbonylContact O-C 3.57Å; I89-I150 WeakPolarHBondContact O-CA 2.94Å; F97-I150 HydrophobicContact CE1-CG2 3.8Å; F97-I150 HydrophobicContact CZ-CG2 4.2Å; I150-F158 HydrophobicContact CG2-CE2 4Å; I150-F158 HydrophobicContact CG2-CZ 3.78Å; I150-T211 PolarHBondContact N-O 2.83Å; I150-I212 HydrophobicContact CB-CG1 4.45Å; I150-I212 CarbonylContact O-C 3.47Å; I150-I212 WeakPolarHBondContact O-CA 3.46Å; I150-T213 PolarHBondContact O-N 2.95Å
151T74.3Confident70.7Confident49 Ų4929.4 Ų29.430%0.30118%0.184SC..EExtended strand (participates in β ladder)trans-122.5121.2176.2-55.20000110.3I89 T90 A91 T213I89-T151 PolarHBondContact O-N 2.54Å; T90-T151 CarbonylContact C-O 3.5Å; T90-T151 WeakPolarHBondContact CA-O 3.16Å; A91-T151 PolarHBondContact N-O 2.89Å; T151-T213 CarbonylContact C-O 3.59Å; T151-T213 WeakPolarHBondContact CA-O 3.31Å
152A68.8Low70.7Confident0 Ų029.1 Ų29.10%018%0.182CC..EExtended strand (participates in β ladder)trans-121.8135.3173.900000111.7A91 T155 F158 T213 A214 S215A91-A152 CarbonylContact O-C 3.58Å; A91-A152 VanDerWaalsContact O-CA 3.28Å; A91-A152 WeakPolarHBondContact O-CA 3.48Å; A152-T155 HydrophobicContact CB-CG2 4.46Å; A152-F158 HydrophobicContact CB-CD2 3.47Å; A152-F158 VanDerWaalsContact CB-CD2 3.47Å; A152-F158 HydrophobicContact CB-CE2 3.48Å; A152-F158 VanDerWaalsContact CB-CE2 3.48Å; A152-T213 PolarHBondContact N-O 3.37Å; A152-A214 WeakPolarHBondContact O-CA 3.34Å; A152-S215 PolarHBondContact O-N 2.98Å
153S68Low70.7Confident44 Ų4430.7 Ų30.731%0.30819%0.191SC..EExtended strand (participates in β ladder)trans-131.6126.5177.136.90000111.2A91 S92 A93A91-S153 PolarHBondContact O-N 2.66Å; A91-S153 PolarHBondContact O-OG 2.86Å; S92-S153 WeakPolarHBondContact CA-O 3.44Å; A93-S153 PolarHBondContact N-O 3.09Å
154A64.4Low70.3Confident62 Ų6227.2 Ų27.251%0.51217%0.172SC..SBendtrans61.459.7179.900000115.3S215A154-S215 PolarHBondContact N-O 3.3Å
155T61.2Low69.8Low2 Ų228.7 Ų28.71%0.01218%0.182CC..  trans-123.8130.2179.661.30000113.8T94 F97 A152 A216 T217T94-T155 WeakPolarHBondContact O-CA 3.38Å; T94-T155 VanDerWaalsContact O-CB 3.23Å; T94-T155 WeakPolarHBondContact O-CB 3.44Å; T94-T155 WeakPolarHBondContact O-CG2 3.32Å; T94-T155 WeakPolarHBondContact OG1-CG2 3.49Å; F97-T155 HydrophobicContact CB-CG2 4.5Å; A152-T155 HydrophobicContact CB-CG2 4.46Å; T155-A216 PolarHBondContact N-O 2.57Å; T155-T217 WeakPolarHBondContact O-CA 3.47Å; T155-T217 VanDerWaalsContact O-CB 3.23Å; T155-T217 WeakPolarHBondContact O-CB 3.33Å; T155-T217 VanDerWaalsContact O-CG2 3.24Å; T155-T217 WeakPolarHBondContact O-CG2 3.44Å; T155-T217 WeakPolarHBondContact OG1-CG2 3.35Å
156T68.6Low68.9Low65 Ų6527.2 Ų27.240%0.39917%0.171SC..SBendtrans-66.8-46.1-177.144.90000113.4T95 T218 N219T95-T156 WeakPolarHBondContact CA-OG1 3.06Å; T95-T156 PolarHBondContact O-N 2.64Å; T95-T156 VanDerWaalsContact O-N 3.13Å; T95-T156 PolarHBondContact O-OG1 2.74Å; T156-T218 VanDerWaalsContact C-OG1 3.27Å; T156-T218 WeakPolarHBondContact CA-OG1 3.35Å; T156-T218 WeakPolarHBondContact O-CA 3.49Å; T156-T218 WeakPolarHBondContact O-CB 3.45Å; T156-T218 PolarHBondContact O-N 3.16Å; T156-T218 PolarHBondContact O-OG1 3.1Å; T156-N219 PolarHBondContact O-N 2.7Å
157N76Confident68.2Low53 Ų5331 Ų3128%0.28320%0.195SC..EExtended strand (participates in β ladder)trans-123.5122.8173.9-55.1-60.2000110.4T95 N96 F97 N219T95-N157 PolarHBondContact O-N 3.38Å; N96-N157 WeakPolarHBondContact CA-O 3.44Å; N96-N157 WeakPolarHBondContact OD1-CB 3.5Å; N96-N157 PolarHBondContact OD1-ND2 3.02Å; F97-N157 PolarHBondContact N-O 2.92Å; N157-N219 WeakPolarHBondContact OD1-CB 3.45Å; N157-N219 PolarHBondContact OD1-ND2 2.74Å
158F75Confident67Low0 Ų028.6 Ų28.60%018%0.181CC..EExtended strand (participates in β ladder)trans-110.9116174.5-178.6-84.7000108.6F97 I150 A152 T160 I212 T217 N219 F220 T221F97-F158 HydrophobicContact CB-CD2 4.39Å; F97-F158 AromaticContact CD1-CD2 3.44Å; F97-F158 HydrophobicContact CD1-CD2 3.44Å; F97-F158 VanDerWaalsContact CD1-CD2 3.44Å; F97-F158 AromaticContact CD1-CE2 3.27Å; F97-F158 HydrophobicContact CD1-CE2 3.27Å; F97-F158 HydrophobicContact CD1-CG 4.43Å; F97-F158 HydrophobicContact CD1-CZ 4.17Å; F97-F158 HydrophobicContact CE1-CD2 4.08Å; F97-F158 AromaticContact CE1-CE2 3.42Å; F97-F158 HydrophobicContact CE1-CE2 3.42Å; F97-F158 VanDerWaalsContact CE1-CE2 3.42Å; F97-F158 HydrophobicContact CE1-CZ 4.09Å; F97-F158 HydrophobicContact CG-CD2 4.31Å; F97-F158 HydrophobicContact CG-CE2 4.44Å; I150-F158 HydrophobicContact CG2-CE2 4Å; I150-F158 HydrophobicContact CG2-CZ 3.78Å; A152-F158 HydrophobicContact CB-CD2 3.47Å; A152-F158 VanDerWaalsContact CB-CD2 3.47Å; A152-F158 HydrophobicContact CB-CE2 3.48Å; A152-F158 VanDerWaalsContact CB-CE2 3.48Å; F158-T160 HydrophobicContact CE1-CG2 3.75Å; F158-T160 HydrophobicContact CZ-CG2 4.32Å; F158-I212 HydrophobicContact CE1-CG2 3.87Å; F158-I212 HydrophobicContact CZ-CG2 3.78Å; F158-T217 HydrophobicContact CB-CG2 4.49Å; F158-N219 PolarHBondContact N-O 2.85Å; F158-F220 HydrophobicContact CB-CD2 4.24Å; F158-F220 AromaticContact CD1-CD2 3.35Å; F158-F220 HydrophobicContact CD1-CD2 3.35Å; F158-F220 AromaticContact CD1-CE2 3.3Å; F158-F220 HydrophobicContact CD1-CE2 3.3Å; F158-F220 HydrophobicContact CD1-CG 4.19Å; F158-F220 HydrophobicContact CD1-CZ 4.11Å; F158-F220 AromaticContact CE1-CD2 3.93Å; F158-F220 HydrophobicContact CE1-CD2 3.93Å; F158-F220 AromaticContact CE1-CE2 3.35Å; F158-F220 HydrophobicContact CE1-CE2 3.35Å; F158-F220 AromaticContact CE1-CZ 3.91Å; F158-F220 HydrophobicContact CE1-CZ 3.91Å; F158-F220 AromaticContact CG-CD2 3.99Å; F158-F220 HydrophobicContact CG-CD2 3.99Å; F158-F220 HydrophobicContact CG-CE2 4.21Å; F158-F220 HydrophobicContact CZ-CE2 4.27Å; F158-F220 CarbonylContact O-C 3.54Å; F158-F220 WeakPolarHBondContact O-CA 3.23Å; F158-T221 PolarHBondContact O-N 3.43Å
159T76Confident66.3Low48 Ų4829.6 Ų29.629%0.29419%0.193SC..EExtended strand (participates in β ladder)trans-126.4126.3175.4-53.90000108.7F97 T98 T99 T221F97-T159 PolarHBondContact O-N 2.89Å; T98-T159 VanDerWaalsContact CA-O 3.26Å; T98-T159 WeakPolarHBondContact CA-O 3.41Å; T99-T159 PolarHBondContact N-O 2.67Å; T159-T221 CarbonylContact C-O 3.54Å; T159-T221 VanDerWaalsContact CA-O 3.29Å; T159-T221 WeakPolarHBondContact CA-O 3.47Å
160T70.8Confident65.5Low0 Ų026.8 Ų26.80%018%0.176CC..EExtended strand (participates in β ladder)trans-129.4135.9173.8-167.20000110.2T99 F158 I212 T221 T222 T223T99-T160 PolarHBondContact OG1-OG1 3.4Å; F158-T160 HydrophobicContact CE1-CG2 3.75Å; F158-T160 HydrophobicContact CZ-CG2 4.32Å; T160-I212 HydrophobicContact CG2-CD1 3.96Å; T160-T221 PolarHBondContact N-O 3.48Å; T160-T222 WeakPolarHBondContact CG2-OG1 3.13Å; T160-T222 WeakPolarHBondContact O-CA 3.49Å; T160-T223 PolarHBondContact O-N 2.88Å
161T69.3Low64.8Low42 Ų4228.9 Ų28.926%0.25819%0.187SC..EExtended strand (participates in β ladder)trans-127.4113.6177-54.80000108.1T99 T100 T101 T223T99-T161 PolarHBondContact O-N 2.87Å; T100-T161 WeakPolarHBondContact CA-O 3.34Å; T101-T161 PolarHBondContact N-O 3.13Å; T161-T223 CarbonylContact C-O 3.41Å; T161-T223 WeakPolarHBondContact CA-O 3.43Å
162T64Low64.3Low3 Ų327.3 Ų27.32%0.01818%0.176CC..EExtended strand (participates in β ladder)trans-105.1117.9172.2-54.60000107.1T223 T224 T225T162-T223 PolarHBondContact N-O 3.42Å; T162-T224 CarbonylContact O-C 3.19Å; T162-T224 WeakPolarHBondContact O-CA 3.14Å; T162-T225 PolarHBondContact O-N 3.01Å
163T64.9Low63.4Low36 Ų3629 Ų2922%0.22119%0.188CC..EExtended strand (participates in β ladder)trans-122.4109.7177.5-54.70000108.4T101 T102 T225T101-T163 PolarHBondContact O-N 2.71Å; T102-T163 WeakPolarHBondContact CA-O 3.39Å; T163-T225 CarbonylContact C-O 3.59Å; T163-T225 WeakPolarHBondContact CA-O 3.49Å
164T60Low62.7Low2 Ų232.7 Ų32.71%0.01220%0.199CC..EExtended strand (participates in β ladder)trans-100.7112.8173.2-55.20000106.9V144 V206 T208 T225 T226 T227V144-T164 HydrophobicContact CG1-CG2 4.29Å; T164-V206 HydrophobicContact CG2-CG1 3.86Å; T164-T208 HydrophobicContact CG2-CG2 4.32Å; T164-T225 PolarHBondContact N-O 2.84Å; T164-T226 WeakPolarHBondContact O-CA 3.46Å; T164-T227 PolarHBondContact O-N 3.1Å
165T59Low62.1Low34 Ų3430.8 Ų30.821%0.20918%0.182CC..EExtended strand (participates in β ladder)trans-116.9101.1-177.3-19.90000107.4T103 T104 T167 T227T103-T165 PolarHBondContact O-N 3.43Å; T103-T165 VanDerWaalsContact O-N 3.12Å; T104-T165 WeakPolarHBondContact CA-O 3.4Å; T165-T167 PolarHBondContact O-N 2.84Å; T165-T227 WeakPolarHBondContact CA-OG1 3.48Å; T165-T227 WeakPolarHBondContact CG2-OG1 3.48Å
166T55.4Low62.2Low3 Ų332.5 Ų32.52%0.01819%0.194CC..  trans-93.591.4169.651.70000107.3V144 D168 P204 V206 T227V144-T166 HydrophobicContact CB-CG2 4.39Å; V144-T166 HydrophobicContact CG2-CG2 3.84Å; T166-D168 VanDerWaalsContact C-N 3.35Å; T166-D168 PolarHBondContact O-N 2.91Å; T166-P204 HydrophobicContact CG2-CG 4.07Å; T166-V206 HydrophobicContact CG2-CG2 3.78Å; T166-T227 PolarHBondContact N-O 3.34Å; T166-T227 PolarHBondContact OG1-O 3.31Å
167T53.7Low62Low84 Ų8429.9 Ų29.952%0.51518%0.177SC..  trans-90.474.9170.232.20000108.7D106 T165 G169D106-T167 CarbonylContact C-O 3.35Å; T165-T167 PolarHBondContact O-N 2.84Å; T167-G169 VanDerWaalsContact C-N 3.28Å
168D52.9Low61.9Low4 Ų430 Ų302%0.02118%0.178CC..  trans-96.741.9169.2-163.44000112.3G107 A141 T166 F170G107-D168 VanDerWaalsContact CA-OD1 3.3Å; G107-D168 WeakPolarHBondContact CA-OD1 3.34Å; A141-D168 VanDerWaalsContact CA-OD2 3.25Å; A141-D168 WeakPolarHBondContact CA-OD2 3.49Å; A141-D168 HydrophobicContact CB-CB 4.39Å; A141-D168 WeakPolarHBondContact CB-OD2 3.29Å; T166-D168 VanDerWaalsContact C-N 3.35Å; T166-D168 PolarHBondContact O-N 2.91Å; D168-F170 PolarHBondContact O-N 2.85Å
169G56.5Low61.8Low28 Ų2830.1 Ų30.129%0.28918%0.179SC..  trans-62.6102.6-173.700000111.7F108 T167 N171 D229F108-G169 VanDerWaalsContact O-O 3.14Å; T167-G169 VanDerWaalsContact C-N 3.28Å; G169-N171 PolarHBondContact O-N 2.75Å; G169-D229 WeakPolarHBondContact CA-OD1 2.98Å; G169-D229 PolarHBondContact N-OD1 3.17Å; G169-D229 VanDerWaalsContact N-OD1 3.15Å
170F62.4Low61.9Low0 Ų030.2 Ų30.20%018%0.184CC..  trans-60.9102.4168.1178.4-88.5000108.7F108 V137 D139 D168 Q172 V199 D201 F231 N232F108-F170 AromaticContact CD1-CD2 3.48Å; F108-F170 HydrophobicContact CD1-CD2 3.48Å; F108-F170 VanDerWaalsContact CD1-CD2 3.48Å; F108-F170 AromaticContact CD1-CE2 3.5Å; F108-F170 HydrophobicContact CD1-CE2 3.5Å; F108-F170 HydrophobicContact CD1-CG 4.38Å; F108-F170 HydrophobicContact CD1-CZ 4.42Å; F108-F170 HydrophobicContact CE1-CD2 4.01Å; F108-F170 AromaticContact CE1-CE2 3.5Å; F108-F170 HydrophobicContact CE1-CE2 3.5Å; F108-F170 HydrophobicContact CE1-CZ 4.18Å; F108-F170 HydrophobicContact CG-CD2 4.33Å; V137-F170 HydrophobicContact CG1-CE2 3.75Å; V137-F170 HydrophobicContact CG1-CZ 4.27Å; D139-F170 HydrophobicContact CB-CD2 4.22Å; D168-F170 PolarHBondContact O-N 2.85Å; F170-Q172 HydrophobicContact CE1-CB 3.81Å; F170-Q172 HydrophobicContact CZ-CB 4.18Å; F170-V199 HydrophobicContact CE1-CG1 3.87Å; F170-V199 HydrophobicContact CE2-CG1 3.98Å; F170-V199 HydrophobicContact CZ-CG1 3.43Å; F170-V199 VanDerWaalsContact CZ-CG1 3.43Å; F170-D201 HydrophobicContact CB-CB 4.49Å; F170-D201 WeakPolarHBondContact CB-OD2 3.35Å; F170-F231 HydrophobicContact CB-CD2 4.09Å; F170-F231 AromaticContact CD1-CD2 3.66Å; F170-F231 HydrophobicContact CD1-CD2 3.66Å; F170-F231 AromaticContact CD1-CE2 3.39Å; F170-F231 HydrophobicContact CD1-CE2 3.39Å; F170-F231 HydrophobicContact CD1-CZ 4.08Å; F170-F231 HydrophobicContact CE1-CD2 4.45Å; F170-F231 AromaticContact CE1-CE2 3.73Å; F170-F231 HydrophobicContact CE1-CE2 3.73Å; F170-F231 HydrophobicContact CE1-CZ 4.13Å; F170-F231 HydrophobicContact CG-CD2 4.08Å; F170-F231 HydrophobicContact CG-CE2 4.09Å; F170-N232 CarbonylContact O-C 3.54Å; F170-N232 WeakPolarHBondContact O-CA 3.41Å; F170-N232 PolarHBondContact O-N 2.85Å
171N60.3Low62.3Low48 Ų4830.2 Ų30.226%0.25718%0.184SC..EExtended strand (participates in β ladder)trans-116.299.8-177.6-157.1-44.3000110.9F108 N109 Q110 G169 N232F108-N171 PolarHBondContact O-N 2.67Å; N109-N171 WeakPolarHBondContact CA-O 3.11Å; N109-N171 PolarHBondContact OD1-O 3.14Å; Q110-N171 PolarHBondContact N-O 3.13Å; G169-N171 PolarHBondContact O-N 2.75Å; N171-N232 WeakPolarHBondContact CA-O 3.09Å
172Q62.1Low63Low15 Ų1530.5 Ų30.57%0.0719%0.188CC..EExtended strand (participates in β ladder)trans-100.797171.9-171.3-179.761.300109.7F170 N232 Q233 S234F170-Q172 HydrophobicContact CE1-CB 3.81Å; F170-Q172 HydrophobicContact CZ-CB 4.18Å; Q172-N232 PolarHBondContact N-O 2.82Å; Q172-N232 VanDerWaalsContact N-O 3.13Å; Q172-Q233 HydrophobicContact CB-CG 4.44Å; Q172-S234 PolarHBondContact O-N 2.88Å
173S51.4Low63.9Low37 Ų3730.7 Ų30.726%0.25919%0.19SC..EExtended strand (participates in β ladder)trans-113.3108.5-178.664.50000113.3Q110 S111 S234Q110-S173 PolarHBondContact O-N 2.73Å; Q110-S173 VanDerWaalsContact O-N 3.15Å; S111-S173 WeakPolarHBondContact CA-O 3.06Å; S173-S234 VanDerWaalsContact CA-O 3.29Å; S173-S234 WeakPolarHBondContact CA-O 3.49Å
174K52.1Low64.7Low120 Ų12031 Ų3152%0.52219%0.193SC..  trans73.6129.1176.6-66.1179-176.8169.30118.5K112 S234 K235K112-K174 CarbonylContact C-O 3.56Å; K112-K174 PolarHBondContact N-O 3.49Å; K112-K174 CarbonylContact O-C 3.51Å; K174-S234 PolarHBondContact N-O 2.77Å; K174-S234 VanDerWaalsContact N-O 3.15Å; K174-K235 WeakPolarHBondContact CA-O 3.46Å; K174-K235 HydrophobicContact CD-CD 4.37Å; K174-K235 HydrophobicContact CG-CB 3.79Å; K174-K235 HydrophobicContact CG-CD 3.98Å; K174-K235 PolarHBondContact N-O 2.92Å
175S53.1Low65.7Low22 Ų2230.9 Ų30.915%0.15419%0.192CC..  trans166.7144.4140.640.40000109.5K112 K235 S236K112-S175 WeakPolarHBondContact O-CB 2.96Å; S175-K235 PolarHBondContact N-O 2.92Å; S175-S236 WeakPolarHBondContact O-CA 3.48Å; S175-S236 WeakPolarHBondContact O-CB 3.39Å
176S62.1Low66.6Low38 Ų3831.5 Ų31.527%0.26620%0.197SC..EExtended strand (participates in β ladder)trans-73.9129.1169.450.50000109.7L115 S237L115-S176 PolarHBondContact N-O 2.71Å; S176-S237 VanDerWaalsContact CB-OG 3.26Å; S176-S237 WeakPolarHBondContact CB-OG 3.43Å
177L65.8Low67.2Low11 Ų1135.3 Ų35.36%0.05822%0.22CC..EExtended strand (participates in β ladder)trans-106.1108.2175.617555.4000108.1L115 V179 Y197 S237 L238 N239L115-L177 HydrophobicContact CB-CD1 4.05Å; L115-L177 HydrophobicContact CD2-CD1 3.79Å; L115-L177 HydrophobicContact CG-CD1 3.79Å; L115-L177 WeakPolarHBondContact O-CA 3.06Å; L177-V179 HydrophobicContact CD1-CG2 3.49Å; L177-V179 VanDerWaalsContact CD1-CG2 3.49Å; L177-V179 HydrophobicContact CD2-CG2 4.24Å; L177-V179 HydrophobicContact CG-CG2 3.69Å; L177-Y197 HydrophobicContact CD2-CD2 4.18Å; L177-Y197 HydrophobicContact CD2-CE2 3.58Å; L177-S237 PolarHBondContact N-O 2.86Å; L177-L238 HydrophobicContact CB-CD1 3.9Å; L177-L238 HydrophobicContact CD2-CD1 3.67Å; L177-L238 HydrophobicContact CG-CD1 3.62Å; L177-L238 WeakPolarHBondContact O-CA 3.16Å; L177-N239 PolarHBondContact O-N 3.22Å
178N73.4Confident67.9Low54 Ų5431.6 Ų31.629%0.28920%0.198SC..EExtended strand (participates in β ladder)trans-107.7115.4173.9-58.3-59.7000108.7L115 N116 V117 N239L115-N178 PolarHBondContact O-N 2.76Å; L115-N178 VanDerWaalsContact O-N 3.09Å; N116-N178 WeakPolarHBondContact CA-O 3.36Å; N116-N178 WeakPolarHBondContact OD1-CB 3.19Å; N116-N178 PolarHBondContact OD1-ND2 3.41Å; V117-N178 PolarHBondContact N-O 3.26Å; N178-N239 WeakPolarHBondContact CA-O 3.47Å; N178-N239 WeakPolarHBondContact OD1-CB 3.48Å; N178-N239 PolarHBondContact OD1-ND2 2.76Å
179V73Confident69.2Low4 Ų433.8 Ų33.82%0.02421%0.214CC..EExtended strand (participates in β ladder)trans-118.4120.1-179.5-170.30000109.6V117 F133 L177 V181 F195 N239 V240 A241V117-V179 HydrophobicContact CB-CG1 4.35Å; V117-V179 HydrophobicContact CB-CG2 4.46Å; V117-V179 WeakPolarHBondContact O-CA 3.41Å; F133-V179 HydrophobicContact CE1-CG1 3.95Å; F133-V179 HydrophobicContact CZ-CG1 4.09Å; L177-V179 HydrophobicContact CD1-CG2 3.49Å; L177-V179 VanDerWaalsContact CD1-CG2 3.49Å; L177-V179 HydrophobicContact CD2-CG2 4.24Å; L177-V179 HydrophobicContact CG-CG2 3.69Å; V179-V181 HydrophobicContact CG1-CG2 3.94Å; V179-F195 HydrophobicContact CB-CE2 4.38Å; V179-F195 HydrophobicContact CB-CZ 4.45Å; V179-F195 HydrophobicContact CG1-CE2 3.55Å; V179-F195 HydrophobicContact CG1-CZ 4.06Å; V179-N239 PolarHBondContact N-O 3.33Å; V179-V240 HydrophobicContact CB-CG1 4.32Å; V179-V240 WeakPolarHBondContact O-CA 3.31Å; V179-A241 PolarHBondContact O-N 2.92Å
180A78.3Confident70.5Confident49 Ų4934.3 Ų34.341%0.40521%0.212SC..EExtended strand (participates in β ladder)trans-119.8114.5175.100000109.3V117 A118 V119 A241V117-A180 PolarHBondContact O-N 3.23Å; A118-A180 WeakPolarHBondContact CA-O 3.3Å; V119-A180 PolarHBondContact N-O 3.46Å; A180-A241 WeakPolarHBondContact CA-O 3.38Å
181V79.2Confident71.7Confident1 Ų134.3 Ų34.31%0.00621%0.212CC..EExtended strand (participates in β ladder)trans-117.2125.5177.7-174.30000109.3V119 F133 V179 F195 A241 S243V119-V181 HydrophobicContact CB-CG2 4.47Å; V119-V181 WeakPolarHBondContact O-CA 3.25Å; F133-V181 HydrophobicContact CB-CG2 4.36Å; F133-V181 HydrophobicContact CD1-CG2 4.36Å; F133-V181 HydrophobicContact CG-CG2 4.15Å; V179-V181 HydrophobicContact CG1-CG2 3.94Å; V181-F195 HydrophobicContact CG2-CD2 3.81Å; V181-F195 HydrophobicContact CG2-CE2 3.99Å; V181-A241 PolarHBondContact N-O 2.88Å; V181-S243 PolarHBondContact O-N 2.83Å; V181-S243 PolarHBondContact O-OG 3Å
182S82.9Confident72.9Confident47 Ų4734.3 Ų34.333%0.32921%0.212SC..EExtended strand (participates in β ladder)trans-131.2133.717959.40000111.2V119 S120 A121 Q131 S243V119-S182 PolarHBondContact O-N 3.04Å; V119-S182 PolarHBondContact O-OG 2.7Å; S120-S182 WeakPolarHBondContact CA-O 3.21Å; A121-S182 PolarHBondContact N-O 2.82Å; Q131-S182 PolarHBondContact NE2-O 2.61Å; S182-S243 WeakPolarHBondContact CA-O 3.47Å
183A82.5Confident73.9Confident7 Ų733.9 Ų33.96%0.05821%0.21CC..EExtended strand (participates in β ladder)trans-137140.5174.700000111.7A121 F129 Q131 F191 S243 A244 S245A121-A183 WeakPolarHBondContact O-CA 3.3Å; F129-A183 HydrophobicContact CE1-CB 3.44Å; F129-A183 VanDerWaalsContact CE1-CB 3.44Å; F129-A183 HydrophobicContact CZ-CB 3.41Å; F129-A183 VanDerWaalsContact CZ-CB 3.41Å; Q131-A183 VanDerWaalsContact OE1-CB 3.3Å; A183-F191 HydrophobicContact CB-CE2 3.83Å; A183-F191 HydrophobicContact CB-CZ 3.55Å; A183-S243 PolarHBondContact N-O 2.93Å; A183-S243 VanDerWaalsContact N-O 3.1Å; A183-A244 WeakPolarHBondContact O-CA 3.5Å; A183-S245 PolarHBondContact O-N 3.36Å; A183-S245 VanDerWaalsContact O-N 3.11Å
184S81.6Confident75.4Confident42 Ų4233.4 Ų33.429%0.29421%0.211SC..EExtended strand (participates in β ladder)trans-138.1134.3175.162.10000112.2A121 S122 N123 S245A121-S184 PolarHBondContact O-N 3.43Å; S122-S184 WeakPolarHBondContact CA-O 3.5Å; N123-S184 PolarHBondContact N-O 3.16Å; S184-S245 WeakPolarHBondContact CA-O 3.38Å
185N82.3Confident76.8Confident0 Ų027.8 Ų27.80%019%0.186CC..  trans-128.882.8167.1-169.38.9000109.2N123 G126 F129 V187 G188 F191 S245 N246N123-N185 PolarHBondContact O-OD1 3.46Å; G126-N185 PolarHBondContact O-ND2 3.43Å; G126-N185 PolarHBondContact O-OD1 3.32Å; F129-N185 HydrophobicContact CB-CB 3.85Å; F129-N185 WeakPolarHBondContact CB-ND2 3.2Å; F129-N185 HydrophobicContact CD2-CB 4.28Å; F129-N185 HydrophobicContact CG-CB 4.13Å; N185-V187 PolarHBondContact O-N 2.72Å; N185-G188 WeakPolarHBondContact ND2-CA 3.48Å; N185-F191 HydrophobicContact CB-CD2 3.72Å; N185-F191 HydrophobicContact CB-CE2 4.38Å; N185-S245 PolarHBondContact N-O 3.31Å; N185-N246 PolarHBondContact O-OD1 3.31Å
186P76.7Confident78.2Confident47 Ų4729.4 Ų29.431%0.30520%0.195SC..THydrogen-bonded Turntrans-53-34.4-177.2-29.435.9000115.3
187V69.8Low79Confident84 Ų8427.9 Ų27.951%0.50918%0.184SC..THydrogen-bonded Turntrans-142.177-172.6-165.50000110N185N185-V187 PolarHBondContact O-N 2.72Å
188G68.4Low79.6Confident5 Ų528.2 Ų28.25%0.05219%0.19CC..  trans-157137.1-178.700000115.6G126 N185 T190 N246 V248 G249G126-G188 WeakPolarHBondContact O-CA 3.47Å; N185-G188 WeakPolarHBondContact ND2-CA 3.48Å; G188-T190 PolarHBondContact O-N 2.99Å; G188-N246 PolarHBondContact O-ND2 2.88Å; G188-N246 VanDerWaalsContact O-ND2 3.16Å; G188-N246 PolarHBondContact O-OD1 2.78Å; G188-V248 PolarHBondContact N-O 3.47Å; G188-V248 VanDerWaalsContact N-O 3.14Å; G188-G249 WeakPolarHBondContact O-CA 3.2Å
189S79.7Confident79.6Confident50 Ų5025.6 Ų25.635%0.3518%0.176SC..SBendtrans-58.4-38.4-176.932.10000114.4S127 S250 T251S127-S189 WeakPolarHBondContact CB-OG 3.17Å; S127-S189 PolarHBondContact O-N 3.07Å; S127-S189 PolarHBondContact O-OG 3.45Å; S189-S250 WeakPolarHBondContact CA-OG 3.29Å; S189-S250 WeakPolarHBondContact CB-OG 3.48Å; S189-S250 PolarHBondContact O-N 3.19Å; S189-S250 PolarHBondContact O-OG 3.45Å; S189-T251 PolarHBondContact O-N 3.48Å
190T82.8Confident79.8Confident39 Ų3927.7 Ų27.724%0.23919%0.188CC..EExtended strand (participates in β ladder)trans-132130.4-173.4-51.40000111.2S127 T128 F129 G188S127-T190 PolarHBondContact O-N 2.89Å; T128-T190 WeakPolarHBondContact CA-O 3.48Å; F129-T190 PolarHBondContact N-O 2.95Å; G188-T190 PolarHBondContact O-N 2.99Å
191F87.4Confident79.5Confident0 Ų025.3 Ų25.30%017%0.169CC..EExtended strand (participates in β ladder)trans-128.5124.8176.4-179.8-79.5000110.7F129 A183 N185 Q193 A244 N246 T251 F252 N253F129-F191 HydrophobicContact CB-CD2 4.16Å; F129-F191 AromaticContact CD1-CD2 3.51Å; F129-F191 HydrophobicContact CD1-CD2 3.51Å; F129-F191 AromaticContact CD1-CE2 3.45Å; F129-F191 HydrophobicContact CD1-CE2 3.45Å; F129-F191 VanDerWaalsContact CD1-CE2 3.45Å; F129-F191 HydrophobicContact CD1-CG 4.26Å; F129-F191 HydrophobicContact CD1-CZ 4.12Å; F129-F191 HydrophobicContact CE1-CD2 4.14Å; F129-F191 AromaticContact CE1-CE2 3.57Å; F129-F191 HydrophobicContact CE1-CE2 3.57Å; F129-F191 AromaticContact CE1-CZ 3.99Å; F129-F191 HydrophobicContact CE1-CZ 3.99Å; F129-F191 AromaticContact CG-CD2 3.95Å; F129-F191 HydrophobicContact CG-CD2 3.95Å; F129-F191 HydrophobicContact CG-CE2 4.14Å; F129-F191 HydrophobicContact CZ-CE2 4.32Å; F129-F191 WeakPolarHBondContact O-CA 3.44Å; A183-F191 HydrophobicContact CB-CE2 3.83Å; A183-F191 HydrophobicContact CB-CZ 3.55Å; N185-F191 HydrophobicContact CB-CD2 3.72Å; N185-F191 HydrophobicContact CB-CE2 4.38Å; F191-Q193 HydrophobicContact CE1-CB 3.61Å; F191-Q193 HydrophobicContact CZ-CB 4Å; F191-A244 HydrophobicContact CE1-CB 3.38Å; F191-A244 HydrophobicContact CZ-CB 3.39Å; F191-N246 HydrophobicContact CB-CB 3.88Å; F191-N246 WeakPolarHBondContact CB-ND2 3.39Å; F191-N246 HydrophobicContact CD2-CB 4.24Å; F191-N246 HydrophobicContact CG-CB 4.1Å; F191-T251 PolarHBondContact N-O 2.68Å; F191-F252 HydrophobicContact CB-CD2 4.21Å; F191-F252 AromaticContact CD1-CD2 3.53Å; F191-F252 HydrophobicContact CD1-CD2 3.53Å; F191-F252 AromaticContact CD1-CE2 3.48Å; F191-F252 HydrophobicContact CD1-CE2 3.48Å; F191-F252 VanDerWaalsContact CD1-CE2 3.48Å; F191-F252 HydrophobicContact CD1-CG 4.27Å; F191-F252 HydrophobicContact CD1-CZ 4.15Å; F191-F252 HydrophobicContact CE1-CD2 4.16Å; F191-F252 AromaticContact CE1-CE2 3.6Å; F191-F252 HydrophobicContact CE1-CE2 3.6Å; F191-F252 HydrophobicContact CE1-CZ 4.02Å; F191-F252 AromaticContact CG-CD2 4Å; F191-F252 HydrophobicContact CG-CD2 4Å; F191-F252 HydrophobicContact CG-CE2 4.19Å; F191-F252 HydrophobicContact CZ-CE2 4.35Å; F191-F252 WeakPolarHBondContact O-CA 3.25Å; F191-N253 PolarHBondContact O-N 3.13Å
192N85.6Confident79.2Confident48 Ų4827.6 Ų27.626%0.25718%0.183SC..EExtended strand (participates in β ladder)trans-128.2124.5173.7-58.2-53.8000109.8F129 N130 Q131 N253F129-N192 PolarHBondContact O-N 3.29Å; N130-N192 WeakPolarHBondContact CA-O 3.48Å; N130-N192 WeakPolarHBondContact OD1-CB 3.5Å; N130-N192 PolarHBondContact OD1-ND2 2.77Å; Q131-N192 PolarHBondContact N-O 2.83Å; N192-N253 WeakPolarHBondContact CA-O 3.27Å; N192-N253 WeakPolarHBondContact OD1-CB 3.42Å; N192-N253 PolarHBondContact OD1-ND2 3.16Å
193Q84.8Confident78.2Confident6 Ų625.7 Ų25.73%0.02817%0.17CC..EExtended strand (participates in β ladder)trans-126.6126.7169.9-177.5-174.461.800110.1Q131 F191 V242 S243 A244 N253 Q254 G255Q131-Q193 CarbonylContact O-C 3.42Å; Q131-Q193 VanDerWaalsContact O-CA 3.29Å; Q131-Q193 WeakPolarHBondContact O-CA 3.33Å; F191-Q193 HydrophobicContact CE1-CB 3.61Å; F191-Q193 HydrophobicContact CZ-CB 4Å; Q193-V242 VanDerWaalsContact OE1-CG1 3.26Å; Q193-S243 PolarHBondContact NE2-O 2.97Å; Q193-S243 VanDerWaalsContact NE2-O 3.17Å; Q193-A244 HydrophobicContact CB-CB 4.47Å; Q193-A244 VanDerWaalsContact OE1-CB 3.26Å; Q193-N253 PolarHBondContact N-O 2.94Å; Q193-Q254 VanDerWaalsContact O-CA 3.31Å; Q193-Q254 WeakPolarHBondContact O-CA 3.42Å; Q193-G255 PolarHBondContact O-N 3.19Å
194G80.9Confident77.3Confident28 Ų2825.4 Ų25.429%0.28917%0.168SC..EExtended strand (participates in β ladder)trans-119.1135.117200000111.6Q131 F133Q131-G194 PolarHBondContact O-N 3.15Å; F133-G194 PolarHBondContact N-O 3.14Å
195F82.3Confident76.8Confident1 Ų127 Ų270%0.00417%0.173CC..EExtended strand (participates in β ladder)trans-123.2122.6168.3-179.1-85.6000109.6F133 V179 V181 V240 V242 G255 F256 T257F133-F195 HydrophobicContact CB-CD2 4.27Å; F133-F195 AromaticContact CD1-CD2 3.39Å; F133-F195 HydrophobicContact CD1-CD2 3.39Å; F133-F195 AromaticContact CD1-CE2 3.19Å; F133-F195 HydrophobicContact CD1-CE2 3.19Å; F133-F195 HydrophobicContact CD1-CG 4.43Å; F133-F195 HydrophobicContact CD1-CZ 4.12Å; F133-F195 HydrophobicContact CE1-CD2 4.11Å; F133-F195 AromaticContact CE1-CE2 3.42Å; F133-F195 HydrophobicContact CE1-CE2 3.42Å; F133-F195 VanDerWaalsContact CE1-CE2 3.42Å; F133-F195 HydrophobicContact CE1-CZ 4.06Å; F133-F195 HydrophobicContact CG-CD2 4.16Å; F133-F195 HydrophobicContact CG-CE2 4.25Å; F133-F195 WeakPolarHBondContact O-CA 3.45Å; V179-F195 HydrophobicContact CB-CE2 4.38Å; V179-F195 HydrophobicContact CB-CZ 4.45Å; V179-F195 HydrophobicContact CG1-CE2 3.55Å; V179-F195 HydrophobicContact CG1-CZ 4.06Å; V181-F195 HydrophobicContact CG2-CD2 3.81Å; V181-F195 HydrophobicContact CG2-CE2 3.99Å; F195-V240 HydrophobicContact CE1-CG1 3.9Å; F195-V240 HydrophobicContact CE2-CG1 4.1Å; F195-V240 HydrophobicContact CZ-CG1 3.66Å; F195-V242 HydrophobicContact CB-CG2 4.16Å; F195-V242 HydrophobicContact CD2-CG2 4.05Å; F195-V242 HydrophobicContact CG-CG2 3.97Å; F195-G255 PolarHBondContact N-O 2.79Å; F195-F256 HydrophobicContact CB-CD2 4.13Å; F195-F256 AromaticContact CD1-CD2 3.39Å; F195-F256 HydrophobicContact CD1-CD2 3.39Å; F195-F256 AromaticContact CD1-CE2 3.2Å; F195-F256 HydrophobicContact CD1-CE2 3.2Å; F195-F256 HydrophobicContact CD1-CG 4.31Å; F195-F256 AromaticContact CD1-CZ 3.99Å; F195-F256 HydrophobicContact CD1-CZ 3.99Å; F195-F256 HydrophobicContact CE1-CD2 4.12Å; F195-F256 AromaticContact CE1-CE2 3.43Å; F195-F256 HydrophobicContact CE1-CE2 3.43Å; F195-F256 VanDerWaalsContact CE1-CE2 3.43Å; F195-F256 AromaticContact CE1-CZ 3.94Å; F195-F256 HydrophobicContact CE1-CZ 3.94Å; F195-F256 AromaticContact CG-CD2 3.97Å; F195-F256 HydrophobicContact CG-CD2 3.97Å; F195-F256 HydrophobicContact CG-CE2 4.07Å; F195-F256 HydrophobicContact CZ-CE2 4.43Å; F195-F256 WeakPolarHBondContact O-CA 2.96Å; F195-T257 PolarHBondContact O-N 2.79Å
196T82.6Confident76.1Confident56 Ų5627.1 Ų27.134%0.34417%0.173SC..EExtended strand (participates in β ladder)trans-125.8124.6175.2-54.40000109.8F133 T134 Y135 T257F133-T196 PolarHBondContact O-N 3.37Å; T134-T196 WeakPolarHBondContact CA-O 3.26Å; Y135-T196 PolarHBondContact N-O 2.86Å; T196-T257 WeakPolarHBondContact CA-O 3.41Å
197Y78.3Confident76.1Confident7 Ų726.5 Ų26.53%0.02717%0.171CC..EExtended strand (participates in β ladder)trans-108.8118.8162.3179.3-82.1000107.5Y135 L177 V199 L238 T257 Y258 G259Y135-Y197 AromaticContact CD1-CD2 3.44Å; Y135-Y197 HydrophobicContact CD1-CD2 3.44Å; Y135-Y197 VanDerWaalsContact CD1-CD2 3.44Å; Y135-Y197 AromaticContact CD1-CE2 3.34Å; Y135-Y197 HydrophobicContact CD1-CE2 3.34Å; Y135-Y197 HydrophobicContact CD1-CG 4.38Å; Y135-Y197 HydrophobicContact CE1-CD2 4.1Å; Y135-Y197 AromaticContact CE1-CE2 3.48Å; Y135-Y197 HydrophobicContact CE1-CE2 3.48Å; Y135-Y197 VanDerWaalsContact CE1-CE2 3.48Å; Y135-Y197 HydrophobicContact CG-CD2 4.12Å; Y135-Y197 HydrophobicContact CG-CE2 4.29Å; Y135-Y197 WeakPolarHBondContact O-CA 3.5Å; L177-Y197 HydrophobicContact CD2-CD2 4.18Å; L177-Y197 HydrophobicContact CD2-CE2 3.58Å; Y197-V199 HydrophobicContact CE1-CG2 3.8Å; Y197-L238 HydrophobicContact CE2-CD2 4.46Å; Y197-T257 PolarHBondContact N-O 3.31Å; Y197-Y258 AromaticContact CD1-CD2 3.39Å; Y197-Y258 HydrophobicContact CD1-CD2 3.39Å; Y197-Y258 AromaticContact CD1-CE2 3.27Å; Y197-Y258 HydrophobicContact CD1-CE2 3.27Å; Y197-Y258 HydrophobicContact CD1-CG 4.28Å; Y197-Y258 HydrophobicContact CE1-CD2 4.05Å; Y197-Y258 AromaticContact CE1-CE2 3.42Å; Y197-Y258 HydrophobicContact CE1-CE2 3.42Å; Y197-Y258 VanDerWaalsContact CE1-CE2 3.42Å; Y197-Y258 AromaticContact CE1-CZ 4Å; Y197-Y258 AromaticContact CG-CD2 3.9Å; Y197-Y258 HydrophobicContact CG-CD2 3.9Å; Y197-Y258 HydrophobicContact CG-CE2 4.06Å; Y197-G259 PolarHBondContact O-N 2.85Å
198G78Confident76.2Confident17 Ų1722.6 Ų22.618%0.17515%0.147CC..EExtended strand (participates in β ladder)trans-128.3130.8178.200000110.9Y135 G136 V137 G259Y135-G198 PolarHBondContact O-N 3.41Å; G136-G198 WeakPolarHBondContact CA-O 3.33Å; V137-G198 PolarHBondContact N-O 2.91Å; G198-G259 WeakPolarHBondContact CA-O 3.41Å
199V75.1Confident76.7Confident0 Ų024.9 Ų24.90%016%0.158CC..EExtended strand (participates in β ladder)trans-118.1124.4158.3177.80000105.7V137 F170 Y197 F231 G259 V260 T261V137-V199 HydrophobicContact CB-CG2 4.5Å; V137-V199 WeakPolarHBondContact O-CA 3.21Å; F170-V199 HydrophobicContact CE1-CG1 3.87Å; F170-V199 HydrophobicContact CE2-CG1 3.98Å; F170-V199 HydrophobicContact CZ-CG1 3.43Å; F170-V199 VanDerWaalsContact CZ-CG1 3.43Å; Y197-V199 HydrophobicContact CE1-CG2 3.8Å; V199-F231 HydrophobicContact CG1-CE2 4.22Å; V199-G259 PolarHBondContact N-O 3.29Å; V199-V260 HydrophobicContact CB-CG2 4.43Å; V199-V260 WeakPolarHBondContact O-CA 3.29Å; V199-T261 PolarHBondContact O-N 3Å
200T77Confident76.5Confident47 Ų4722.7 Ų22.729%0.28814%0.143SC..EExtended strand (participates in β ladder)trans-124.9119.5175.4-57.80000106.6V137 T138 D139 T261V137-T200 PolarHBondContact O-N 2.77Å; T138-T200 WeakPolarHBondContact CA-O 3.29Å; D139-T200 PolarHBondContact N-O 2.82Å; T200-T261 WeakPolarHBondContact CA-O 3.19Å
201D72.2Confident76.5Confident0 Ų023.8 Ų23.80%015%0.149CC..  trans-104.2141.1164.9-163.32.4000107.8F170 F231 T261 T263F170-D201 HydrophobicContact CB-CB 4.49Å; F170-D201 WeakPolarHBondContact CB-OD2 3.35Å; D201-F231 HydrophobicContact CB-CD2 3.92Å; D201-F231 HydrophobicContact CB-CE2 4.28Å; D201-T261 PolarHBondContact N-O 3.32Å; D201-T263 PolarHBondContact O-N 2.9Å
202T71.3Confident76Confident49 Ų4923.9 Ų23.930%0.30115%0.15SC..  trans-144.999.4179.1-55.90000106.4D139 A141D139-T202 PolarHBondContact O-N 3.01Å; A141-T202 WeakPolarHBondContact CB-O 3.43Å; A141-T202 PolarHBondContact N-O 2.82Å
203A63Low75.7Confident7 Ų723.7 Ų23.76%0.05815%0.15CC..PPolyproline II helixtrans-71.5163.4-177.700000111.2D229 T263 P265A203-D229 HydrophobicContact CB-CB 4.15Å; A203-T263 PolarHBondContact N-O 3.05Å; A203-P265 HydrophobicContact CB-CB 3.84Å; A203-P265 HydrophobicContact CB-CG 3.61Å
204P63.7Low75.1Confident0 Ų023.4 Ų23.40%015%0.149CC..PPolyproline II helixtrans-91.6125.8-168.329.6-25.8000113A141 P142 V144 T166 V206 P265A141-P204 HydrophobicContact CB-CB 3.44Å; A141-P204 VanDerWaalsContact CB-CB 3.44Å; A141-P204 HydrophobicContact CB-CG 3.52Å; A141-P204 VanDerWaalsContact CB-N 3.28Å; P142-P204 VanDerWaalsContact C-CB 3.48Å; P142-P204 WeakPolarHBondContact O-CB 3.33Å; V144-P204 HydrophobicContact CG2-CB 4.46Å; T166-P204 HydrophobicContact CG2-CG 4.07Å; P204-V206 WeakPolarHBondContact O-CG2 3.17Å; P204-V206 PolarHBondContact O-N 3.08Å; P204-P265 WeakPolarHBondContact O-CB 3.28Å
205D69.8Low74.6Confident77 Ų7724.3 Ų24.341%0.41215%0.151SC..PPolyproline II helixtrans-54.5128176.7-78.2-10.9000110.4D143 V144 D266D143-D205 PolarHBondContact OD1-N 3.17Å; V144-D205 PolarHBondContact N-O 3.08Å; D205-D266 PolarHBondContact OD1-N 2.84Å; D205-D266 VanDerWaalsContact OD1-N 3.14Å
206V69.3Low73.9Confident1 Ų127.2 Ų27.21%0.00618%0.175CC..EExtended strand (participates in β ladder)trans-109.6109.3-175.1-172.50000109.9T164 T166 P204 T208 T226 T228 D266 S268T164-V206 HydrophobicContact CG2-CG1 3.86Å; T166-V206 HydrophobicContact CG2-CG2 3.78Å; P204-V206 WeakPolarHBondContact O-CG2 3.17Å; P204-V206 PolarHBondContact O-N 3.08Å; V206-T208 HydrophobicContact CG1-CG2 4.05Å; V206-T226 HydrophobicContact CG1-CG2 3.87Å; V206-T228 HydrophobicContact CG2-CG2 4.05Å; V206-D266 PolarHBondContact N-O 3.41Å; V206-S268 PolarHBondContact O-N 3.45Å
207S76.7Confident73.1Confident35 Ų3524.6 Ų24.625%0.24516%0.159CC..EExtended strand (participates in β ladder)trans-109.6120.1171.2620000111.4V144 S145 T146 S268V144-S207 PolarHBondContact O-N 2.97Å; S145-S207 WeakPolarHBondContact CA-OG 3.4Å; S145-S207 WeakPolarHBondContact CB-OG 2.92Å; T146-S207 PolarHBondContact N-O 2.76Å; T146-S207 PolarHBondContact OG1-O 3.45Å; S207-S268 WeakPolarHBondContact CA-OG 3.41Å; S207-S268 WeakPolarHBondContact CB-OG 3.39Å
208T71.7Confident72.8Confident1 Ų127.1 Ų27.11%0.00618%0.175CC..EExtended strand (participates in β ladder)trans-119.3111175.266.70000109.9T146 T164 V206 S268 T269 N270T146-T208 WeakPolarHBondContact OG1-CA 3.31Å; T146-T208 WeakPolarHBondContact OG1-CG2 3.39Å; T164-T208 HydrophobicContact CG2-CG2 4.32Å; V206-T208 HydrophobicContact CG1-CG2 4.05Å; T208-S268 PolarHBondContact N-O 2.91Å; T208-S268 PolarHBondContact OG1-O 2.98Å; T208-T269 WeakPolarHBondContact OG1-CA 3.47Å; T208-T269 WeakPolarHBondContact OG1-CB 3.19Å; T208-T269 VanDerWaalsContact OG1-CG2 3.31Å; T208-T269 WeakPolarHBondContact OG1-CG2 3.37Å; T208-N270 PolarHBondContact O-N 3.01Å
209N79Confident72.8Confident54 Ų5428.9 Ų28.929%0.28918%0.18SC..EExtended strand (participates in β ladder)trans-113.6116.2176.8-58.9-56000109.7T146 N147 S148 N270T146-N209 PolarHBondContact O-N 2.02Å; N147-N209 WeakPolarHBondContact CA-O 3Å; N147-N209 WeakPolarHBondContact OD1-CB 3.36Å; N147-N209 PolarHBondContact OD1-ND2 3.23Å; S148-N209 PolarHBondContact N-O 3.47Å; N209-N270 WeakPolarHBondContact CA-O 3.27Å; N209-N270 WeakPolarHBondContact OD1-CB 3.19Å; N209-N270 PolarHBondContact OD1-ND2 3.26Å
210S75.1Confident73Confident4 Ų428.9 Ų28.93%0.02818%0.18CC..EExtended strand (participates in β ladder)trans-121.5123-179-67.90000111.6S148 N270 S271 T272S148-S210 WeakPolarHBondContact O-CA 3.3Å; S210-N270 PolarHBondContact N-O 2.85Å; S210-S271 WeakPolarHBondContact O-CA 3.35Å; S210-T272 PolarHBondContact O-N 2.75Å
211T81.6Confident73.1Confident61 Ų6128.8 Ų28.837%0.37418%0.18SC..EExtended strand (participates in β ladder)trans-112.6111.8168.6-58.80000109.2S148 T149 I150 T272S148-T211 PolarHBondContact O-N 3.44Å; T149-T211 CarbonylContact C-O 3.57Å; T149-T211 WeakPolarHBondContact CA-O 3.1Å; I150-T211 PolarHBondContact N-O 2.83Å; T211-T272 CarbonylContact C-O 3.59Å; T211-T272 WeakPolarHBondContact CA-O 3.45Å
212I77.7Confident73.2Confident2 Ų229 Ų291%0.0118%0.181CC..EExtended strand (participates in β ladder)trans-117.2120.7-176.9-56.4166000109.3I150 F158 T160 F220 T272 I273 T274I150-I212 HydrophobicContact CB-CG1 4.45Å; I150-I212 CarbonylContact O-C 3.47Å; I150-I212 WeakPolarHBondContact O-CA 3.46Å; F158-I212 HydrophobicContact CE1-CG2 3.87Å; F158-I212 HydrophobicContact CZ-CG2 3.78Å; T160-I212 HydrophobicContact CG2-CD1 3.96Å; I212-F220 HydrophobicContact CG2-CE2 3.83Å; I212-F220 HydrophobicContact CG2-CZ 3.77Å; I212-T272 PolarHBondContact N-O 3.39Å; I212-I273 HydrophobicContact CB-CG1 4.43Å; I212-I273 HydrophobicContact CD1-CG1 4.33Å; I212-I273 CarbonylContact O-C 3.55Å; I212-I273 WeakPolarHBondContact O-CA 3.43Å; I212-T274 PolarHBondContact O-N 3.45Å
213T78.6Confident73.4Confident45 Ų4528.6 Ų28.628%0.27618%0.179SC..EExtended strand (participates in β ladder)trans-120.9121175.3-56.90000110.4I150 T151 A152 T274I150-T213 PolarHBondContact O-N 2.95Å; T151-T213 CarbonylContact C-O 3.59Å; T151-T213 WeakPolarHBondContact CA-O 3.31Å; A152-T213 PolarHBondContact N-O 3.37Å; T213-T274 CarbonylContact C-O 3.51Å; T213-T274 WeakPolarHBondContact CA-O 3.47Å
214A73Confident73.5Confident0 Ų028.5 Ų28.50%018%0.178CC..EExtended strand (participates in β ladder)trans-124.1125.3176.700000111.3A152 T217 F220 T274 A275 S276A152-A214 WeakPolarHBondContact O-CA 3.34Å; A214-T217 HydrophobicContact CB-CG2 4.12Å; A214-F220 HydrophobicContact CB-CD2 3.77Å; A214-F220 HydrophobicContact CB-CE2 3.82Å; A214-T274 PolarHBondContact N-O 2.84Å; A214-A275 WeakPolarHBondContact O-CA 3.46Å; A214-S276 PolarHBondContact O-N 3.19Å
215S71.1Confident73.7Confident47 Ų4730.1 Ų30.133%0.32919%0.188SC..EExtended strand (participates in β ladder)trans-116.5125.2178.5-50.20000110.8A152 A154A152-S215 PolarHBondContact O-N 2.98Å; A154-S215 PolarHBondContact N-O 3.3Å
216A68Low73.4Confident61 Ų6126.5 Ų26.550%0.50417%0.168SC..SBendtrans60.564176.700000114.3T155 S276T155-A216 PolarHBondContact N-O 2.57Å; A216-S276 PolarHBondContact N-O 2.99Å
217T64.9Low72.9Confident1 Ų128.1 Ų28.11%0.00618%0.178CC..  trans-125.3126.1-175.153.80000113.4T155 F158 A214 A277 T278T155-T217 WeakPolarHBondContact O-CA 3.47Å; T155-T217 VanDerWaalsContact O-CB 3.23Å; T155-T217 WeakPolarHBondContact O-CB 3.33Å; T155-T217 VanDerWaalsContact O-CG2 3.24Å; T155-T217 WeakPolarHBondContact O-CG2 3.44Å; T155-T217 WeakPolarHBondContact OG1-CG2 3.35Å; F158-T217 HydrophobicContact CB-CG2 4.49Å; A214-T217 HydrophobicContact CB-CG2 4.12Å; T217-A277 PolarHBondContact N-O 3.17Å; T217-T278 WeakPolarHBondContact O-CA 3.33Å; T217-T278 VanDerWaalsContact O-CB 3.27Å; T217-T278 WeakPolarHBondContact O-CB 3.48Å; T217-T278 VanDerWaalsContact O-CG2 3.25Å; T217-T278 WeakPolarHBondContact O-CG2 3.42Å; T217-T278 PolarHBondContact O-OG1 3.12Å; T217-T278 PolarHBondContact OG1-OG1 2.92Å
218T71.9Confident72Confident60 Ų6027.2 Ų27.237%0.36817%0.171SC..SBendtrans-67.8-47.9-177.7390000113.4T156 T279 N280T156-T218 VanDerWaalsContact C-OG1 3.27Å; T156-T218 WeakPolarHBondContact CA-OG1 3.35Å; T156-T218 WeakPolarHBondContact O-CA 3.49Å; T156-T218 WeakPolarHBondContact O-CB 3.45Å; T156-T218 PolarHBondContact O-N 3.16Å; T156-T218 PolarHBondContact O-OG1 3.1Å; T218-T279 VanDerWaalsContact C-OG1 3.27Å; T218-T279 WeakPolarHBondContact O-CA 3.46Å; T218-T279 WeakPolarHBondContact O-CB 3.45Å; T218-T279 PolarHBondContact O-N 3.08Å; T218-T279 PolarHBondContact O-OG1 3.34Å; T218-N280 PolarHBondContact O-N 3.46Å
219N78.9Confident71.4Confident54 Ų5427.6 Ų27.629%0.28917%0.173SC..EExtended strand (participates in β ladder)trans-122.4128.1177.5-59.4-50.9000110.4T156 N157 F158 N280T156-N219 PolarHBondContact O-N 2.7Å; N157-N219 WeakPolarHBondContact OD1-CB 3.45Å; N157-N219 PolarHBondContact OD1-ND2 2.74Å; F158-N219 PolarHBondContact N-O 2.85Å; N219-N280 WeakPolarHBondContact CA-O 3.5Å; N219-N280 WeakPolarHBondContact OD1-CB 3.47Å; N219-N280 PolarHBondContact OD1-ND2 3Å
220F77.7Confident70.4Confident0 Ų026.2 Ų26.20%017%0.172CC..EExtended strand (participates in β ladder)trans-118.2124.8176.3-178.3-81.7000109.7F158 I212 A214 T222 I273 T278 N280 F281 T282F158-F220 HydrophobicContact CB-CD2 4.24Å; F158-F220 AromaticContact CD1-CD2 3.35Å; F158-F220 HydrophobicContact CD1-CD2 3.35Å; F158-F220 AromaticContact CD1-CE2 3.3Å; F158-F220 HydrophobicContact CD1-CE2 3.3Å; F158-F220 HydrophobicContact CD1-CG 4.19Å; F158-F220 HydrophobicContact CD1-CZ 4.11Å; F158-F220 AromaticContact CE1-CD2 3.93Å; F158-F220 HydrophobicContact CE1-CD2 3.93Å; F158-F220 AromaticContact CE1-CE2 3.35Å; F158-F220 HydrophobicContact CE1-CE2 3.35Å; F158-F220 AromaticContact CE1-CZ 3.91Å; F158-F220 HydrophobicContact CE1-CZ 3.91Å; F158-F220 AromaticContact CG-CD2 3.99Å; F158-F220 HydrophobicContact CG-CD2 3.99Å; F158-F220 HydrophobicContact CG-CE2 4.21Å; F158-F220 HydrophobicContact CZ-CE2 4.27Å; F158-F220 CarbonylContact O-C 3.54Å; F158-F220 WeakPolarHBondContact O-CA 3.23Å; I212-F220 HydrophobicContact CG2-CE2 3.83Å; I212-F220 HydrophobicContact CG2-CZ 3.77Å; A214-F220 HydrophobicContact CB-CD2 3.77Å; A214-F220 HydrophobicContact CB-CE2 3.82Å; F220-T222 HydrophobicContact CE1-CG2 3.89Å; F220-I273 HydrophobicContact CE1-CG2 3.9Å; F220-I273 HydrophobicContact CZ-CG2 3.63Å; F220-T278 HydrophobicContact CB-CG2 3.83Å; F220-N280 PolarHBondContact N-O 2.9Å; F220-F281 HydrophobicContact CB-CD2 4Å; F220-F281 AromaticContact CD1-CD2 3.33Å; F220-F281 HydrophobicContact CD1-CD2 3.33Å; F220-F281 AromaticContact CD1-CE2 3.27Å; F220-F281 HydrophobicContact CD1-CE2 3.27Å; F220-F281 HydrophobicContact CD1-CG 4.2Å; F220-F281 HydrophobicContact CD1-CZ 4.12Å; F220-F281 AromaticContact CE1-CD2 3.98Å; F220-F281 HydrophobicContact CE1-CD2 3.98Å; F220-F281 AromaticContact CE1-CE2 3.39Å; F220-F281 HydrophobicContact CE1-CE2 3.39Å; F220-F281 AromaticContact CE1-CZ 3.98Å; F220-F281 HydrophobicContact CE1-CZ 3.98Å; F220-F281 AromaticContact CG-CD2 3.8Å; F220-F281 HydrophobicContact CG-CD2 3.8Å; F220-F281 AromaticContact CG-CE2 4Å; F220-F281 HydrophobicContact CG-CE2 4Å; F220-F281 HydrophobicContact CZ-CE2 4.19Å; F220-F281 CarbonylContact O-C 3.59Å; F220-F281 WeakPolarHBondContact O-CA 3.36Å; F220-T282 PolarHBondContact O-N 3.3Å
221T79.5Confident70Confident46 Ų4626.1 Ų26.128%0.28217%0.171SC..EExtended strand (participates in β ladder)trans-135.7127.4176-53.20000110.1F158 T159 T160 T282F158-T221 PolarHBondContact O-N 3.43Å; T159-T221 CarbonylContact C-O 3.54Å; T159-T221 VanDerWaalsContact CA-O 3.29Å; T159-T221 WeakPolarHBondContact CA-O 3.47Å; T160-T221 PolarHBondContact N-O 3.48Å; T221-T282 CarbonylContact C-O 3.55Å; T221-T282 VanDerWaalsContact CA-O 3.29Å; T221-T282 WeakPolarHBondContact CA-O 3.46Å
222T75.3Confident69Low4 Ų425.5 Ų25.53%0.02517%0.165CC..EExtended strand (participates in β ladder)trans-128.3134.3173.3-170.60000110.3T160 F220 I273 T282 T283 T284T160-T222 WeakPolarHBondContact CG2-OG1 3.13Å; T160-T222 WeakPolarHBondContact O-CA 3.49Å; F220-T222 HydrophobicContact CE1-CG2 3.89Å; T222-I273 HydrophobicContact CG2-CD1 3.93Å; T222-T282 PolarHBondContact N-O 2.86Å; T222-T283 HydrophobicContact CG2-CG2 3.48Å; T222-T283 VanDerWaalsContact CG2-CG2 3.48Å; T222-T283 CarbonylContact O-C 3.6Å; T222-T283 WeakPolarHBondContact O-CA 3.4Å; T222-T284 PolarHBondContact O-N 3.07Å
223T74.8Confident68.4Low40 Ų4025.8 Ų25.825%0.24517%0.166CC..EExtended strand (participates in β ladder)trans-126.1123.7173-55.90000108.6T160 T161 T162 T284T160-T223 PolarHBondContact O-N 2.88Å; T161-T223 CarbonylContact C-O 3.41Å; T161-T223 WeakPolarHBondContact CA-O 3.43Å; T162-T223 PolarHBondContact N-O 3.42Å; T223-T284 CarbonylContact C-O 3.6Å; T223-T284 WeakPolarHBondContact CA-O 3.42Å
224T65.8Low67.2Low6 Ų625 Ų254%0.03716%0.163CC..EExtended strand (participates in β ladder)trans-114.3123.1172-54.40000108.1T162 T284 T285 T286T162-T224 CarbonylContact O-C 3.19Å; T162-T224 WeakPolarHBondContact O-CA 3.14Å; T224-T284 PolarHBondContact N-O 3.08Å; T224-T285 CarbonylContact O-C 3.59Å; T224-T285 VanDerWaalsContact O-CA 3.24Å; T224-T285 WeakPolarHBondContact O-CA 3.29Å; T224-T286 PolarHBondContact O-N 3.19Å
225T68.1Low66.2Low34 Ų3429.7 Ų29.721%0.20918%0.183CC..EExtended strand (participates in β ladder)trans-127.4122.4176-54.20000108.4T162 T163 T164 T227 T286T162-T225 PolarHBondContact O-N 3.01Å; T163-T225 CarbonylContact C-O 3.59Å; T163-T225 WeakPolarHBondContact CA-O 3.49Å; T164-T225 PolarHBondContact N-O 2.84Å; T225-T227 HydrophobicContact CG2-CG2 4.09Å; T225-T286 WeakPolarHBondContact CA-O 3.45Å
226T61.7Low65.5Low1 Ų128.7 Ų28.71%0.00618%0.176CC..EExtended strand (participates in β ladder)trans-112.9127.4170.9-48.80000107.2T164 V206 V267 T286 T287 T288T164-T226 WeakPolarHBondContact O-CA 3.46Å; V206-T226 HydrophobicContact CG1-CG2 3.87Å; T226-V267 HydrophobicContact CG2-CG1 4.03Å; T226-T286 PolarHBondContact N-O 3.36Å; T226-T287 VanDerWaalsContact O-CA 3.25Å; T226-T287 WeakPolarHBondContact O-CA 3.4Å; T226-T288 PolarHBondContact O-N 3.27Å
227T60.4Low65.3Low35 Ų3527.6 Ų27.622%0.21517%0.165CC..EExtended strand (participates in β ladder)trans-121.8121.8172.162.50000107.7T164 T165 T166 T225 T288T164-T227 PolarHBondContact O-N 3.1Å; T165-T227 WeakPolarHBondContact CA-OG1 3.48Å; T165-T227 WeakPolarHBondContact CG2-OG1 3.48Å; T166-T227 PolarHBondContact N-O 3.34Å; T166-T227 PolarHBondContact OG1-O 3.31Å; T225-T227 HydrophobicContact CG2-CG2 4.09Å; T227-T288 WeakPolarHBondContact CG2-OG1 3.46Å
228T58Low65.4Low16 Ų1627.9 Ų27.910%0.09817%0.167CC..  trans-99.3179.9174.344.30000110.7V206 P265 V267 T288 D289V206-T228 HydrophobicContact CG2-CG2 4.05Å; T228-P265 HydrophobicContact CG2-CG 3.66Å; T228-V267 HydrophobicContact CG2-CG2 3.55Å; T228-T288 PolarHBondContact N-O 3.3Å; T228-T288 PolarHBondContact OG1-O 3.04Å; T228-T288 VanDerWaalsContact OG1-O 3.04Å; T228-D289 WeakPolarHBondContact OG1-CB 3.41Å
229D58.8Low65.7Low9 Ų927.5 Ų27.55%0.04816%0.162CC..  trans-61.6174.3-153.9-171.324.5000115.3G169 A203 D289 G290G169-D229 WeakPolarHBondContact CA-OD1 2.98Å; G169-D229 PolarHBondContact N-OD1 3.17Å; G169-D229 VanDerWaalsContact N-OD1 3.15Å; A203-D229 HydrophobicContact CB-CB 4.15Å; D229-D289 PolarHBondContact N-OD1 2.84Å; D229-D289 CarbonylContact O-C 3.52Å; D229-G290 PolarHBondContact O-N 3.44Å
230G58.5Low65.5Low25 Ų2525.2 Ų25.226%0.25815%0.15SC..  trans-145.5111.5151.600000113.4N232 G290G230-N232 PolarHBondContact O-N 2.82Å; G230-G290 CarbonylContact C-O 3.41Å; G230-G290 WeakPolarHBondContact CA-O 3.08Å
231F64.8Low65.7Low1 Ų127.6 Ų27.60%0.00417%0.17CC..  trans-63.7115.4172.1179-88.4000110.6F170 V199 D201 Q233 V260 D262 G290 F291 N292F170-F231 HydrophobicContact CB-CD2 4.09Å; F170-F231 AromaticContact CD1-CD2 3.66Å; F170-F231 HydrophobicContact CD1-CD2 3.66Å; F170-F231 AromaticContact CD1-CE2 3.39Å; F170-F231 HydrophobicContact CD1-CE2 3.39Å; F170-F231 HydrophobicContact CD1-CZ 4.08Å; F170-F231 HydrophobicContact CE1-CD2 4.45Å; F170-F231 AromaticContact CE1-CE2 3.73Å; F170-F231 HydrophobicContact CE1-CE2 3.73Å; F170-F231 HydrophobicContact CE1-CZ 4.13Å; F170-F231 HydrophobicContact CG-CD2 4.08Å; F170-F231 HydrophobicContact CG-CE2 4.09Å; V199-F231 HydrophobicContact CG1-CE2 4.22Å; D201-F231 HydrophobicContact CB-CD2 3.92Å; D201-F231 HydrophobicContact CB-CE2 4.28Å; F231-Q233 HydrophobicContact CE1-CB 3.88Å; F231-Q233 HydrophobicContact CZ-CB 4.15Å; F231-V260 HydrophobicContact CE1-CG1 4.27Å; F231-V260 HydrophobicContact CE2-CG1 4.3Å; F231-V260 HydrophobicContact CZ-CG1 3.64Å; F231-D262 HydrophobicContact CB-CB 4.5Å; F231-D262 WeakPolarHBondContact CB-OD2 3.23Å; F231-D262 HydrophobicContact CD2-CB 4.33Å; F231-D262 HydrophobicContact CG-CB 4.39Å; F231-G290 PolarHBondContact N-O 2.95Å; F231-F291 HydrophobicContact CB-CD2 3.91Å; F231-F291 HydrophobicContact CB-CE2 4.31Å; F231-F291 AromaticContact CD1-CD2 3.72Å; F231-F291 HydrophobicContact CD1-CD2 3.72Å; F231-F291 AromaticContact CD1-CE2 3.31Å; F231-F291 HydrophobicContact CD1-CE2 3.31Å; F231-F291 AromaticContact CD1-CZ 3.89Å; F231-F291 HydrophobicContact CD1-CZ 3.89Å; F231-F291 AromaticContact CE1-CE2 3.75Å; F231-F291 HydrophobicContact CE1-CE2 3.75Å; F231-F291 HydrophobicContact CE1-CZ 4.02Å; F231-F291 HydrophobicContact CG-CD2 4.04Å; F231-F291 AromaticContact CG-CE2 3.91Å; F231-F291 HydrophobicContact CG-CE2 3.91Å; F231-N292 CarbonylContact O-C 3.56Å; F231-N292 PolarHBondContact O-N 3Å; F231-N292 VanDerWaalsContact O-O 3.1Å
232N62.6Low66Low49 Ų4925.5 Ų25.526%0.26216%0.157SC..EExtended strand (participates in β ladder)trans-128.796.5-179-159.3-40.9000113F170 N171 Q172 G230 N292F170-N232 CarbonylContact O-C 3.54Å; F170-N232 WeakPolarHBondContact O-CA 3.41Å; F170-N232 PolarHBondContact O-N 2.85Å; N171-N232 WeakPolarHBondContact CA-O 3.09Å; Q172-N232 PolarHBondContact N-O 2.82Å; Q172-N232 VanDerWaalsContact N-O 3.13Å; G230-N232 PolarHBondContact O-N 2.82Å; N232-N292 WeakPolarHBondContact CA-O 3.37Å
233Q63.9Low66.5Low7 Ų727.6 Ų27.63%0.03317%0.172CC..EExtended strand (participates in β ladder)trans-97.5106.8170.2-173.3179.463.200110.9Q172 F231 N292 Q293 S294Q172-Q233 HydrophobicContact CB-CG 4.44Å; F231-Q233 HydrophobicContact CE1-CB 3.88Å; F231-Q233 HydrophobicContact CZ-CB 4.15Å; Q233-N292 PolarHBondContact N-O 3.09Å; Q233-Q293 HydrophobicContact CB-CG 4.39Å; Q233-S294 PolarHBondContact O-N 3.1Å
234S53Low67Low30 Ų3026 Ų2621%0.2116%0.163CC..EExtended strand (participates in β ladder)trans-125.2115-178.2680000115.4Q172 S173 K174 S294Q172-S234 PolarHBondContact O-N 2.88Å; S173-S234 VanDerWaalsContact CA-O 3.29Å; S173-S234 WeakPolarHBondContact CA-O 3.49Å; K174-S234 PolarHBondContact N-O 2.77Å; K174-S234 VanDerWaalsContact N-O 3.15Å; S234-S294 VanDerWaalsContact CA-O 3.29Å; S234-S294 WeakPolarHBondContact CA-O 3.24Å
235K53.4Low67.8Low98 Ų9827.7 Ų27.743%0.42618%0.175SC..  trans72.6104.3177.3-62.2174.8178.6167.30117.7K174 S175 S294 K295K174-K235 WeakPolarHBondContact CA-O 3.46Å; K174-K235 HydrophobicContact CD-CD 4.37Å; K174-K235 HydrophobicContact CG-CB 3.79Å; K174-K235 HydrophobicContact CG-CD 3.98Å; K174-K235 PolarHBondContact N-O 2.92Å; S175-K235 PolarHBondContact N-O 2.92Å; K235-S294 PolarHBondContact N-O 3.44Å; K235-K295 WeakPolarHBondContact CA-O 3.35Å; K235-K295 HydrophobicContact CG-CB 4.23Å; K235-K295 HydrophobicContact CG-CD 4.36Å; K235-K295 PolarHBondContact N-O 3.36Å
236S55.2Low68.6Low25 Ų2526 Ų2618%0.17517%0.165CC..  trans-158.6139.9155.755.10000110.9S175 K295 S296S175-S236 WeakPolarHBondContact O-CA 3.48Å; S175-S236 WeakPolarHBondContact O-CB 3.39Å; S236-K295 PolarHBondContact N-O 3.05Å; S236-S296 WeakPolarHBondContact O-CA 3.49Å; S236-S296 WeakPolarHBondContact O-CB 3.4Å
237S63.6Low69.4Low39 Ų3928.1 Ų28.127%0.27318%0.178SC..  trans-89.9116.2163.963.50000107.4S176 L177S176-S237 VanDerWaalsContact CB-OG 3.26Å; S176-S237 WeakPolarHBondContact CB-OG 3.43Å; L177-S237 PolarHBondContact N-O 2.86Å
238L68.4Low69.9Low7 Ų730.2 Ų30.24%0.03719%0.191CC..EExtended strand (participates in β ladder)trans-98.7109177175.455.8000108.4L177 Y197 V240 Y258 S297 L298 N299L177-L238 HydrophobicContact CB-CD1 3.9Å; L177-L238 HydrophobicContact CD2-CD1 3.67Å; L177-L238 HydrophobicContact CG-CD1 3.62Å; L177-L238 WeakPolarHBondContact O-CA 3.16Å; Y197-L238 HydrophobicContact CE2-CD2 4.46Å; L238-V240 HydrophobicContact CD1-CG2 3.38Å; L238-V240 HydrophobicContact CD2-CG2 4.25Å; L238-V240 HydrophobicContact CG-CG2 3.68Å; L238-Y258 HydrophobicContact CD2-CD2 3.98Å; L238-Y258 HydrophobicContact CD2-CE2 3.46Å; L238-Y258 VanDerWaalsContact CD2-CE2 3.46Å; L238-S297 PolarHBondContact N-O 3.19Å; L238-S297 VanDerWaalsContact N-O 3.08Å; L238-L298 HydrophobicContact CB-CD1 3.82Å; L238-L298 HydrophobicContact CD2-CD1 3.61Å; L238-L298 HydrophobicContact CG-CD1 3.56Å; L238-L298 WeakPolarHBondContact O-CA 3.4Å; L238-N299 PolarHBondContact O-N 3.38Å
239N76.5Confident70.5Confident52 Ų5229.7 Ų29.728%0.27819%0.189SC..EExtended strand (participates in β ladder)trans-110.4113.3173.4-58.2-60.4000108.2L177 N178 V179 N299L177-N239 PolarHBondContact O-N 3.22Å; N178-N239 WeakPolarHBondContact CA-O 3.47Å; N178-N239 WeakPolarHBondContact OD1-CB 3.48Å; N178-N239 PolarHBondContact OD1-ND2 2.76Å; V179-N239 PolarHBondContact N-O 3.33Å; N239-N299 WeakPolarHBondContact CA-O 3.42Å; N239-N299 PolarHBondContact OD1-ND2 3.35Å
240V76.3Confident71.5Confident5 Ų531.6 Ų31.63%0.0320%0.203CC..EExtended strand (participates in β ladder)trans-118.3122.6-179.8-169.20000109.8V179 F195 L238 V242 F256 N299 V300 A301V179-V240 HydrophobicContact CB-CG1 4.32Å; V179-V240 WeakPolarHBondContact O-CA 3.31Å; F195-V240 HydrophobicContact CE1-CG1 3.9Å; F195-V240 HydrophobicContact CE2-CG1 4.1Å; F195-V240 HydrophobicContact CZ-CG1 3.66Å; L238-V240 HydrophobicContact CD1-CG2 3.38Å; L238-V240 HydrophobicContact CD2-CG2 4.25Å; L238-V240 HydrophobicContact CG-CG2 3.68Å; V240-V242 HydrophobicContact CG1-CG2 3.88Å; V240-F256 HydrophobicContact CB-CE2 4.27Å; V240-F256 HydrophobicContact CB-CZ 4.49Å; V240-F256 HydrophobicContact CG1-CE2 3.64Å; V240-F256 HydrophobicContact CG1-CZ 4.29Å; V240-N299 PolarHBondContact N-O 3.23Å; V240-V300 HydrophobicContact CB-CG1 4.39Å; V240-V300 WeakPolarHBondContact O-CA 3.34Å; V240-A301 PolarHBondContact O-N 2.9Å
241A82.3Confident72.7Confident50 Ų5032.3 Ų32.341%0.41320%0.202SC..EExtended strand (participates in β ladder)trans-120.2113.5174.400000109.1V179 A180 V181 A301V179-A241 PolarHBondContact O-N 2.92Å; A180-A241 WeakPolarHBondContact CA-O 3.38Å; V181-A241 PolarHBondContact N-O 2.88Å; A241-A301 WeakPolarHBondContact CA-O 3.43Å
242V83.9Confident73.9Confident2 Ų232.2 Ų32.21%0.01220%0.202CC..EExtended strand (participates in β ladder)trans-116125.6177.2-173.40000109.2Q193 F195 V240 F256 A301 S303Q193-V242 VanDerWaalsContact OE1-CG1 3.26Å; F195-V242 HydrophobicContact CB-CG2 4.16Å; F195-V242 HydrophobicContact CD2-CG2 4.05Å; F195-V242 HydrophobicContact CG-CG2 3.97Å; V240-V242 HydrophobicContact CG1-CG2 3.88Å; V242-F256 HydrophobicContact CG2-CD2 3.88Å; V242-F256 HydrophobicContact CG2-CE2 4.11Å; V242-A301 PolarHBondContact N-O 3.28Å; V242-S303 PolarHBondContact O-N 2.9Å; V242-S303 PolarHBondContact O-OG 3.04Å
243S86.6Confident75.1Confident48 Ų4832.3 Ų32.334%0.33620%0.202SC..EExtended strand (participates in β ladder)trans-131.8135.117959.90000111.3V181 S182 A183 Q193 S303V181-S243 PolarHBondContact O-N 2.83Å; V181-S243 PolarHBondContact O-OG 3Å; S182-S243 WeakPolarHBondContact CA-O 3.47Å; A183-S243 PolarHBondContact N-O 2.93Å; A183-S243 VanDerWaalsContact N-O 3.1Å; Q193-S243 PolarHBondContact NE2-O 2.97Å; Q193-S243 VanDerWaalsContact NE2-O 3.17Å; S243-S303 WeakPolarHBondContact CA-O 3.42Å
244A85Confident76.2Confident7 Ų732.2 Ų32.26%0.05820%0.202CC..EExtended strand (participates in β ladder)trans-138.5139.8175.300000111.8A183 F191 Q193 F252 S303 A304 S305A183-A244 WeakPolarHBondContact O-CA 3.5Å; F191-A244 HydrophobicContact CE1-CB 3.38Å; F191-A244 HydrophobicContact CZ-CB 3.39Å; Q193-A244 HydrophobicContact CB-CB 4.47Å; Q193-A244 VanDerWaalsContact OE1-CB 3.26Å; A244-F252 HydrophobicContact CB-CE2 3.82Å; A244-F252 HydrophobicContact CB-CZ 3.51Å; A244-S303 PolarHBondContact N-O 3.11Å; A244-S303 VanDerWaalsContact N-O 3.13Å; A244-A304 WeakPolarHBondContact O-CA 3.28Å; A244-S305 PolarHBondContact O-N 3.13Å; A244-S305 VanDerWaalsContact O-N 3.11Å
245S83.6Confident77.7Confident41 Ų4132.2 Ų32.229%0.28721%0.206SC..EExtended strand (participates in β ladder)trans-138.8126.9177.9-176.40000111.6A183 S184 N185 P247 S305A183-S245 PolarHBondContact O-N 3.36Å; A183-S245 VanDerWaalsContact O-N 3.11Å; S184-S245 WeakPolarHBondContact CA-O 3.38Å; N185-S245 PolarHBondContact N-O 3.31Å; S245-P247 WeakPolarHBondContact OG-CD 3.1Å; S245-S305 WeakPolarHBondContact CA-O 3.42Å
246N83.9Confident79.2Confident0 Ų027.6 Ų27.60%019%0.186CC..  trans-127.382.3167-170.24000109.4N185 G188 F191 V248 G249 F252 S305 N306N185-N246 PolarHBondContact O-OD1 3.31Å; G188-N246 PolarHBondContact O-ND2 2.88Å; G188-N246 VanDerWaalsContact O-ND2 3.16Å; G188-N246 PolarHBondContact O-OD1 2.78Å; F191-N246 HydrophobicContact CB-CB 3.88Å; F191-N246 WeakPolarHBondContact CB-ND2 3.39Å; F191-N246 HydrophobicContact CD2-CB 4.24Å; F191-N246 HydrophobicContact CG-CB 4.1Å; N246-V248 PolarHBondContact O-N 3.29Å; N246-G249 WeakPolarHBondContact ND2-CA 3.11Å; N246-F252 HydrophobicContact CB-CD2 3.74Å; N246-F252 HydrophobicContact CB-CE2 4.35Å; N246-S305 PolarHBondContact N-O 3.34Å; N246-N306 WeakPolarHBondContact O-CA 3.47Å; N246-N306 PolarHBondContact O-OD1 3.41Å
247P78.2Confident80.7Confident44 Ų4429.2 Ų29.229%0.28620%0.195SC..SBendtrans-50.8-36.9-179-29.135.9000115.2S245 V308S245-P247 WeakPolarHBondContact OG-CD 3.1Å; P247-V308 WeakPolarHBondContact O-CB 3.41Å; P247-V308 PolarHBondContact O-N 2.83Å
248V71.7Confident81.6Confident79 Ų7927.8 Ų27.848%0.47918%0.184SC..BIsolated β-bridgetrans-139.885.4-173.8-169.30000109.6G188 N246G188-V248 PolarHBondContact N-O 3.47Å; G188-V248 VanDerWaalsContact N-O 3.14Å; N246-V248 PolarHBondContact O-N 3.29Å
249G70.2Confident82.2Confident6 Ų628.3 Ų28.36%0.06219%0.191CC..  trans-161.1135.8-178.300000115.9G188 N246 T251 N306 V308 G309G188-G249 WeakPolarHBondContact O-CA 3.2Å; N246-G249 WeakPolarHBondContact ND2-CA 3.11Å; G249-T251 VanDerWaalsContact C-N 3.33Å; G249-T251 PolarHBondContact O-N 3.14Å; G249-N306 PolarHBondContact O-ND2 3.44Å; G249-N306 VanDerWaalsContact O-ND2 3.14Å; G249-N306 PolarHBondContact O-OD1 3.5Å; G249-V308 PolarHBondContact N-O 3.45Å; G249-V308 VanDerWaalsContact N-O 3.13Å; G249-G309 WeakPolarHBondContact O-CA 3.42Å
250S80.6Confident82.3Confident49 Ų4925.9 Ų25.934%0.34318%0.178SC..SBendtrans-60.4-35.3-176.837.20000114.3S189 S310 T311S189-S250 WeakPolarHBondContact CA-OG 3.29Å; S189-S250 WeakPolarHBondContact CB-OG 3.48Å; S189-S250 PolarHBondContact O-N 3.19Å; S189-S250 PolarHBondContact O-OG 3.45Å; S250-S310 WeakPolarHBondContact CA-OG 3.41Å; S250-S310 PolarHBondContact O-N 2.86Å; S250-S310 VanDerWaalsContact O-N 3.14Å; S250-S310 PolarHBondContact O-OG 3.25Å; S250-T311 PolarHBondContact O-N 3.26Å
251T84.2Confident82.5Confident39 Ų3927.8 Ų27.824%0.23919%0.19CC..EExtended strand (participates in β ladder)trans-135.6129.6-174.3-500000111.3S189 F191 G249S189-T251 PolarHBondContact O-N 3.48Å; F191-T251 PolarHBondContact N-O 2.68Å; G249-T251 VanDerWaalsContact C-N 3.33Å; G249-T251 PolarHBondContact O-N 3.14Å
252F88.6Confident82.1Confident0 Ų025.7 Ų25.70%017%0.171CC..EExtended strand (participates in β ladder)trans-128.4124.8176.7-179.6-78.7000110.5F191 A244 N246 Q254 A304 N306 T311 F312 N313F191-F252 HydrophobicContact CB-CD2 4.21Å; F191-F252 AromaticContact CD1-CD2 3.53Å; F191-F252 HydrophobicContact CD1-CD2 3.53Å; F191-F252 AromaticContact CD1-CE2 3.48Å; F191-F252 HydrophobicContact CD1-CE2 3.48Å; F191-F252 VanDerWaalsContact CD1-CE2 3.48Å; F191-F252 HydrophobicContact CD1-CG 4.27Å; F191-F252 HydrophobicContact CD1-CZ 4.15Å; F191-F252 HydrophobicContact CE1-CD2 4.16Å; F191-F252 AromaticContact CE1-CE2 3.6Å; F191-F252 HydrophobicContact CE1-CE2 3.6Å; F191-F252 HydrophobicContact CE1-CZ 4.02Å; F191-F252 AromaticContact CG-CD2 4Å; F191-F252 HydrophobicContact CG-CD2 4Å; F191-F252 HydrophobicContact CG-CE2 4.19Å; F191-F252 HydrophobicContact CZ-CE2 4.35Å; F191-F252 WeakPolarHBondContact O-CA 3.25Å; A244-F252 HydrophobicContact CB-CE2 3.82Å; A244-F252 HydrophobicContact CB-CZ 3.51Å; N246-F252 HydrophobicContact CB-CD2 3.74Å; N246-F252 HydrophobicContact CB-CE2 4.35Å; F252-Q254 HydrophobicContact CE1-CB 3.65Å; F252-Q254 HydrophobicContact CZ-CB 4.09Å; F252-A304 HydrophobicContact CE1-CB 3.37Å; F252-A304 HydrophobicContact CZ-CB 3.38Å; F252-N306 HydrophobicContact CB-CB 3.9Å; F252-N306 WeakPolarHBondContact CB-ND2 3.25Å; F252-N306 HydrophobicContact CD2-CB 4.19Å; F252-N306 HydrophobicContact CG-CB 4.1Å; F252-T311 PolarHBondContact N-O 3.03Å; F252-F312 HydrophobicContact CB-CD2 4.19Å; F252-F312 AromaticContact CD1-CD2 3.53Å; F252-F312 HydrophobicContact CD1-CD2 3.53Å; F252-F312 AromaticContact CD1-CE2 3.48Å; F252-F312 HydrophobicContact CD1-CE2 3.48Å; F252-F312 VanDerWaalsContact CD1-CE2 3.48Å; F252-F312 HydrophobicContact CD1-CG 4.28Å; F252-F312 HydrophobicContact CD1-CZ 4.16Å; F252-F312 HydrophobicContact CE1-CD2 4.15Å; F252-F312 AromaticContact CE1-CE2 3.6Å; F252-F312 HydrophobicContact CE1-CE2 3.6Å; F252-F312 HydrophobicContact CE1-CZ 4.02Å; F252-F312 AromaticContact CG-CD2 3.97Å; F252-F312 HydrophobicContact CG-CD2 3.97Å; F252-F312 HydrophobicContact CG-CE2 4.17Å; F252-F312 HydrophobicContact CZ-CE2 4.31Å; F252-N313 PolarHBondContact O-N 3.14Å
253N87.7Confident81.5Confident50 Ų5028 Ų2827%0.26719%0.185SC..EExtended strand (participates in β ladder)trans-127.9125.7173.7-56.5-56.5000110.1F191 N192 Q193 N313F191-N253 PolarHBondContact O-N 3.13Å; N192-N253 WeakPolarHBondContact CA-O 3.27Å; N192-N253 WeakPolarHBondContact OD1-CB 3.42Å; N192-N253 PolarHBondContact OD1-ND2 3.16Å; Q193-N253 PolarHBondContact N-O 2.94Å; N253-N313 WeakPolarHBondContact CA-O 3.33Å; N253-N313 WeakPolarHBondContact OD1-CB 3.49Å; N253-N313 PolarHBondContact OD1-ND2 3.33Å
254Q87.2Confident80.4Confident6 Ų626.1 Ų26.13%0.02817%0.173CC..EExtended strand (participates in β ladder)trans-127.9127.2170.1-177.4-173.962.100110.1Q193 F252 V302 S303 A304 N313 Q314 G315Q193-Q254 VanDerWaalsContact O-CA 3.31Å; Q193-Q254 WeakPolarHBondContact O-CA 3.42Å; F252-Q254 HydrophobicContact CE1-CB 3.65Å; F252-Q254 HydrophobicContact CZ-CB 4.09Å; Q254-V302 VanDerWaalsContact OE1-CG1 3.22Å; Q254-S303 PolarHBondContact NE2-O 3.19Å; Q254-A304 HydrophobicContact CB-CB 4.47Å; Q254-A304 VanDerWaalsContact OE1-CB 3.25Å; Q254-N313 PolarHBondContact N-O 3.48Å; Q254-Q314 VanDerWaalsContact O-CA 3.31Å; Q254-Q314 WeakPolarHBondContact O-CA 3.36Å; Q254-G315 PolarHBondContact O-N 3.33Å
255G83.8Confident79.2Confident29 Ų2925.8 Ų25.830%0.29917%0.17SC..EExtended strand (participates in β ladder)trans-120.5135.5173.700000111.8Q193 F195Q193-G255 PolarHBondContact O-N 3.19Å; F195-G255 PolarHBondContact N-O 2.79Å
256F86.7Confident78.6Confident2 Ų227.6 Ų27.61%0.00918%0.177CC..EExtended strand (participates in β ladder)trans-123.7122.9169-178.8-82.9000109.5F195 V240 V242 V300 V302 G315 F316 T317F195-F256 HydrophobicContact CB-CD2 4.13Å; F195-F256 AromaticContact CD1-CD2 3.39Å; F195-F256 HydrophobicContact CD1-CD2 3.39Å; F195-F256 AromaticContact CD1-CE2 3.2Å; F195-F256 HydrophobicContact CD1-CE2 3.2Å; F195-F256 HydrophobicContact CD1-CG 4.31Å; F195-F256 AromaticContact CD1-CZ 3.99Å; F195-F256 HydrophobicContact CD1-CZ 3.99Å; F195-F256 HydrophobicContact CE1-CD2 4.12Å; F195-F256 AromaticContact CE1-CE2 3.43Å; F195-F256 HydrophobicContact CE1-CE2 3.43Å; F195-F256 VanDerWaalsContact CE1-CE2 3.43Å; F195-F256 AromaticContact CE1-CZ 3.94Å; F195-F256 HydrophobicContact CE1-CZ 3.94Å; F195-F256 AromaticContact CG-CD2 3.97Å; F195-F256 HydrophobicContact CG-CD2 3.97Å; F195-F256 HydrophobicContact CG-CE2 4.07Å; F195-F256 HydrophobicContact CZ-CE2 4.43Å; F195-F256 WeakPolarHBondContact O-CA 2.96Å; V240-F256 HydrophobicContact CB-CE2 4.27Å; V240-F256 HydrophobicContact CB-CZ 4.49Å; V240-F256 HydrophobicContact CG1-CE2 3.64Å; V240-F256 HydrophobicContact CG1-CZ 4.29Å; V242-F256 HydrophobicContact CG2-CD2 3.88Å; V242-F256 HydrophobicContact CG2-CE2 4.11Å; F256-V300 HydrophobicContact CD2-CG1 4.5Å; F256-V300 HydrophobicContact CE1-CG1 3.94Å; F256-V300 HydrophobicContact CE2-CG1 3.86Å; F256-V300 HydrophobicContact CZ-CG1 3.56Å; F256-V300 HydrophobicContact CZ-CG2 4.33Å; F256-V302 HydrophobicContact CB-CG2 4.12Å; F256-V302 HydrophobicContact CD2-CG2 3.87Å; F256-V302 HydrophobicContact CE2-CG2 4.48Å; F256-V302 HydrophobicContact CG-CG2 3.94Å; F256-G315 PolarHBondContact N-O 3.13Å; F256-F316 HydrophobicContact CB-CD2 4.1Å; F256-F316 AromaticContact CD1-CD2 3.44Å; F256-F316 HydrophobicContact CD1-CD2 3.44Å; F256-F316 VanDerWaalsContact CD1-CD2 3.44Å; F256-F316 AromaticContact CD1-CE2 3.24Å; F256-F316 HydrophobicContact CD1-CE2 3.24Å; F256-F316 HydrophobicContact CD1-CG 4.3Å; F256-F316 AromaticContact CD1-CZ 3.96Å; F256-F316 HydrophobicContact CD1-CZ 3.96Å; F256-F316 HydrophobicContact CE1-CD2 4.15Å; F256-F316 AromaticContact CE1-CE2 3.46Å; F256-F316 HydrophobicContact CE1-CE2 3.46Å; F256-F316 VanDerWaalsContact CE1-CE2 3.46Å; F256-F316 AromaticContact CE1-CZ 3.89Å; F256-F316 HydrophobicContact CE1-CZ 3.89Å; F256-F316 AromaticContact CG-CD2 3.93Å; F256-F316 HydrophobicContact CG-CD2 3.93Å; F256-F316 HydrophobicContact CG-CE2 4.02Å; F256-F316 HydrophobicContact CZ-CE2 4.37Å; F256-F316 WeakPolarHBondContact O-CA 3.5Å; F256-T317 PolarHBondContact O-N 3.2Å
257T85.9Confident77.9Confident58 Ų5827.8 Ų27.836%0.35618%0.178SC..EExtended strand (participates in β ladder)trans-127.1126.1175.8-55.10000109.9F195 T196 Y197 T317F195-T257 PolarHBondContact O-N 2.79Å; T196-T257 WeakPolarHBondContact CA-O 3.41Å; Y197-T257 PolarHBondContact N-O 3.31Å; T257-T317 WeakPolarHBondContact CA-O 3.46Å
258Y82.2Confident77.8Confident10 Ų1027.3 Ų27.34%0.03918%0.175CC..EExtended strand (participates in β ladder)trans-113.2118.4164.1179.1-84.1000107.8Y197 L238 V260 T317 Y318 G319Y197-Y258 AromaticContact CD1-CD2 3.39Å; Y197-Y258 HydrophobicContact CD1-CD2 3.39Å; Y197-Y258 AromaticContact CD1-CE2 3.27Å; Y197-Y258 HydrophobicContact CD1-CE2 3.27Å; Y197-Y258 HydrophobicContact CD1-CG 4.28Å; Y197-Y258 HydrophobicContact CE1-CD2 4.05Å; Y197-Y258 AromaticContact CE1-CE2 3.42Å; Y197-Y258 HydrophobicContact CE1-CE2 3.42Å; Y197-Y258 VanDerWaalsContact CE1-CE2 3.42Å; Y197-Y258 AromaticContact CE1-CZ 4Å; Y197-Y258 AromaticContact CG-CD2 3.9Å; Y197-Y258 HydrophobicContact CG-CD2 3.9Å; Y197-Y258 HydrophobicContact CG-CE2 4.06Å; L238-Y258 HydrophobicContact CD2-CD2 3.98Å; L238-Y258 HydrophobicContact CD2-CE2 3.46Å; L238-Y258 VanDerWaalsContact CD2-CE2 3.46Å; Y258-V260 HydrophobicContact CE1-CG2 3.83Å; Y258-T317 PolarHBondContact N-O 3.32Å; Y258-Y318 AromaticContact CD1-CD2 3.33Å; Y258-Y318 HydrophobicContact CD1-CD2 3.33Å; Y258-Y318 AromaticContact CD1-CE2 3.23Å; Y258-Y318 HydrophobicContact CD1-CE2 3.23Å; Y258-Y318 HydrophobicContact CD1-CG 4.22Å; Y258-Y318 AromaticContact CE1-CD2 3.95Å; Y258-Y318 HydrophobicContact CE1-CD2 3.95Å; Y258-Y318 AromaticContact CE1-CE2 3.32Å; Y258-Y318 HydrophobicContact CE1-CE2 3.32Å; Y258-Y318 AromaticContact CE1-CZ 3.92Å; Y258-Y318 AromaticContact CG-CD2 3.87Å; Y258-Y318 HydrophobicContact CG-CD2 3.87Å; Y258-Y318 HydrophobicContact CG-CE2 4.05Å; Y258-G319 PolarHBondContact O-N 2.95Å
259G82Confident77.9Confident18 Ų1823.6 Ų23.619%0.18615%0.153CC..EExtended strand (participates in β ladder)trans-128.8131.2177.900000110.7Y197 G198 V199 G319Y197-G259 PolarHBondContact O-N 2.85Å; G198-G259 WeakPolarHBondContact CA-O 3.41Å; V199-G259 PolarHBondContact N-O 3.29Å; G259-G319 WeakPolarHBondContact CA-O 3.04Å
260V77.7Confident78.4Confident0 Ų025.8 Ų25.80%016%0.163CC..EExtended strand (participates in β ladder)trans-121125.1160.1178.90000105.8V199 F231 Y258 G319 V320 T321V199-V260 HydrophobicContact CB-CG2 4.43Å; V199-V260 WeakPolarHBondContact O-CA 3.29Å; F231-V260 HydrophobicContact CE1-CG1 4.27Å; F231-V260 HydrophobicContact CE2-CG1 4.3Å; F231-V260 HydrophobicContact CZ-CG1 3.64Å; Y258-V260 HydrophobicContact CE1-CG2 3.83Å; V260-G319 PolarHBondContact N-O 3.32Å; V260-G319 VanDerWaalsContact N-O 3.09Å; V260-V320 HydrophobicContact CB-CG1 4.5Å; V260-V320 HydrophobicContact CB-CG2 4.44Å; V260-V320 WeakPolarHBondContact O-CA 3.43Å; V260-T321 PolarHBondContact O-N 2.98Å
261T79.8Confident78.3Confident46 Ų4623.9 Ų23.928%0.28215%0.15SC..EExtended strand (participates in β ladder)trans-126119.6176.4-58.70000106.6V199 T200 D201 T321V199-T261 PolarHBondContact O-N 3Å; T200-T261 WeakPolarHBondContact CA-O 3.19Å; D201-T261 PolarHBondContact N-O 3.32Å; T261-T321 WeakPolarHBondContact CA-O 3.41Å
262D73.6Confident78.2Confident5 Ų525 Ų253%0.02716%0.156CC..  trans-102.4140.8160.7-169.510.5000107.8F231 F291 T321 T323F231-D262 HydrophobicContact CB-CB 4.5Å; F231-D262 WeakPolarHBondContact CB-OD2 3.23Å; F231-D262 HydrophobicContact CD2-CB 4.33Å; F231-D262 HydrophobicContact CG-CB 4.39Å; D262-F291 HydrophobicContact CB-CD2 3.93Å; D262-F291 HydrophobicContact CB-CE2 3.88Å; D262-F291 WeakPolarHBondContact OD2-CD2 3.5Å; D262-T321 PolarHBondContact N-O 3.37Å; D262-T323 PolarHBondContact O-N 2.81Å
263T71.4Confident77.9Confident50 Ų5025.3 Ų25.331%0.30716%0.158SC..  trans-139.699.9176.7-56.90000105.8D201 A203D201-T263 PolarHBondContact O-N 2.9Å; A203-T263 PolarHBondContact N-O 3.05Å
264A63.5Low77.6Confident10 Ų1025.1 Ų25.18%0.08316%0.159CC..PPolyproline II helixtrans-70.8163.3179.700000110.7D289 T323 P325A264-D289 WeakPolarHBondContact CB-OD2 3.24Å; A264-T323 WeakPolarHBondContact CB-O 3.47Å; A264-T323 PolarHBondContact N-O 3.06Å; A264-P325 HydrophobicContact CB-CB 3.91Å; A264-P325 HydrophobicContact CB-CG 3.68Å
265P61.7Low77Confident0 Ų024.8 Ų24.80%016%0.158CC..PPolyproline II helixtrans-95.2128.4-167.330.5-24.2000115A203 P204 T228 V267 P325A203-P265 HydrophobicContact CB-CB 3.84Å; A203-P265 HydrophobicContact CB-CG 3.61Å; P204-P265 WeakPolarHBondContact O-CB 3.28Å; T228-P265 HydrophobicContact CG2-CG 3.66Å; P265-V267 VanDerWaalsContact O-CG2 3.24Å; P265-V267 WeakPolarHBondContact O-CG2 3.39Å; P265-V267 PolarHBondContact O-N 2.77Å; P265-P325 WeakPolarHBondContact O-CB 3.41Å
266D69.1Low76.4Confident79 Ų7925.6 Ų25.642%0.42216%0.158SC..PPolyproline II helixtrans-56127.1178.2-77.5-12.3000110.8D205 V206 D326D205-D266 PolarHBondContact OD1-N 2.84Å; D205-D266 VanDerWaalsContact OD1-N 3.14Å; V206-D266 PolarHBondContact N-O 3.41Å; D266-D326 PolarHBondContact OD1-N 2.79Å; D266-D326 VanDerWaalsContact OD1-N 3.13Å
267V69.2Low75.5Confident3 Ų328.3 Ų28.32%0.01818%0.181CC..EExtended strand (participates in β ladder)trans-107.9112-176.1-173.90000109.8T226 T228 P265 T269 T287 D326 S328T226-V267 HydrophobicContact CG2-CG1 4.03Å; T228-V267 HydrophobicContact CG2-CG2 3.55Å; P265-V267 VanDerWaalsContact O-CG2 3.24Å; P265-V267 WeakPolarHBondContact O-CG2 3.39Å; P265-V267 PolarHBondContact O-N 2.77Å; V267-T269 HydrophobicContact CG1-CG2 4.09Å; V267-T287 HydrophobicContact CG1-CG2 4.44Å; V267-D326 PolarHBondContact N-O 3.02Å; V267-S328 PolarHBondContact O-N 2.83Å; V267-S328 PolarHBondContact O-OG 3.03Å
268S77.8Confident74.6Confident34 Ų3425.6 Ų25.624%0.23817%0.165CC..EExtended strand (participates in β ladder)trans-112.4120.2171.263.20000111.7V206 S207 T208 S328V206-S268 PolarHBondContact O-N 3.45Å; S207-S268 WeakPolarHBondContact CA-OG 3.41Å; S207-S268 WeakPolarHBondContact CB-OG 3.39Å; T208-S268 PolarHBondContact N-O 2.91Å; T208-S268 PolarHBondContact OG1-O 2.98Å; S268-S328 WeakPolarHBondContact CA-OG 3.44Å; S268-S328 WeakPolarHBondContact CB-OG 3.37Å
269T73.3Confident74Confident1 Ų127.8 Ų27.81%0.00618%0.179CC..EExtended strand (participates in β ladder)trans-118.4109.6174.367.10000109.9T208 V267 S328 T329 N330T208-T269 WeakPolarHBondContact OG1-CA 3.47Å; T208-T269 WeakPolarHBondContact OG1-CB 3.19Å; T208-T269 VanDerWaalsContact OG1-CG2 3.31Å; T208-T269 WeakPolarHBondContact OG1-CG2 3.37Å; V267-T269 HydrophobicContact CG1-CG2 4.09Å; T269-S328 PolarHBondContact N-O 2.9Å; T269-S328 PolarHBondContact OG1-O 2.86Å; T269-T329 WeakPolarHBondContact OG1-CA 3.45Å; T269-T329 WeakPolarHBondContact OG1-CB 3.5Å; T269-T329 VanDerWaalsContact OG1-CG2 3.3Å; T269-T329 WeakPolarHBondContact OG1-CG2 3.44Å; T269-N330 PolarHBondContact O-N 2.87Å
270N80.4Confident73.7Confident53 Ų5329.6 Ų29.628%0.28319%0.185SC..EExtended strand (participates in β ladder)trans-114.3114.8178.7-58.4-56.1000110.1T208 N209 S210 N330T208-N270 PolarHBondContact O-N 3.01Å; N209-N270 WeakPolarHBondContact CA-O 3.27Å; N209-N270 WeakPolarHBondContact OD1-CB 3.19Å; N209-N270 PolarHBondContact OD1-ND2 3.26Å; S210-N270 PolarHBondContact N-O 2.85Å; N270-N330 CarbonylContact C-O 3.6Å; N270-N330 WeakPolarHBondContact CA-O 3.43Å; N270-N330 WeakPolarHBondContact OD1-CB 3.48Å; N270-N330 PolarHBondContact OD1-ND2 2.76Å
271S77.9Confident73.7Confident8 Ų829.7 Ų29.76%0.05619%0.185CC..EExtended strand (participates in β ladder)trans-120.7122.5-178.6-680000111.7S210 N330 S331 T332S210-S271 WeakPolarHBondContact O-CA 3.35Å; S271-N330 PolarHBondContact N-O 3.11Å; S271-S331 CarbonylContact O-C 3.44Å; S271-S331 WeakPolarHBondContact O-CA 3.46Å; S271-T332 PolarHBondContact O-N 3.21Å
272T83.6Confident73.5Confident62 Ų6229.8 Ų29.838%0.3819%0.186SC..EExtended strand (participates in β ladder)trans-112.9111.3169-58.60000109.2S210 T211 I212 T332S210-T272 PolarHBondContact O-N 2.75Å; T211-T272 CarbonylContact C-O 3.59Å; T211-T272 WeakPolarHBondContact CA-O 3.45Å; I212-T272 PolarHBondContact N-O 3.39Å; T272-T332 CarbonylContact C-O 3.57Å; T272-T332 WeakPolarHBondContact CA-O 3.34Å
273I80.9Confident73.3Confident7 Ų729.9 Ų29.94%0.03619%0.186CC..EExtended strand (participates in β ladder)trans-117.8121.5-175.9-56.9165000109.5I212 F220 T222 F281 T283 T332 I333 T334I212-I273 HydrophobicContact CB-CG1 4.43Å; I212-I273 HydrophobicContact CD1-CG1 4.33Å; I212-I273 CarbonylContact O-C 3.55Å; I212-I273 WeakPolarHBondContact O-CA 3.43Å; F220-I273 HydrophobicContact CE1-CG2 3.9Å; F220-I273 HydrophobicContact CZ-CG2 3.63Å; T222-I273 HydrophobicContact CG2-CD1 3.93Å; I273-F281 HydrophobicContact CG2-CE2 3.81Å; I273-F281 HydrophobicContact CG2-CZ 3.79Å; I273-T283 HydrophobicContact CD1-CG2 4.16Å; I273-T332 PolarHBondContact N-O 3.26Å; I273-I333 HydrophobicContact CB-CG1 4.48Å; I273-I333 HydrophobicContact CD1-CG1 4.33Å; I273-I333 CarbonylContact O-C 3.59Å; I273-I333 WeakPolarHBondContact O-CA 3.29Å; I273-T334 PolarHBondContact O-N 3.4Å
274T81.4Confident73.3Confident46 Ų4629.5 Ų29.528%0.28218%0.184SC..EExtended strand (participates in β ladder)trans-120.7119.2174.1-57.40000110.3I212 T213 A214 T334I212-T274 PolarHBondContact O-N 3.45Å; T213-T274 CarbonylContact C-O 3.51Å; T213-T274 WeakPolarHBondContact CA-O 3.47Å; A214-T274 PolarHBondContact N-O 2.84Å; T274-T334 CarbonylContact C-O 3.54Å; T274-T334 WeakPolarHBondContact CA-O 3.43Å
275A75.4Confident73.2Confident0 Ų029.7 Ų29.70%018%0.184CC..EExtended strand (participates in β ladder)trans-124.6125.717800000111.5A214 F281 T334 A335 S336A214-A275 WeakPolarHBondContact O-CA 3.46Å; A275-F281 HydrophobicContact CB-CD2 3.96Å; A275-F281 HydrophobicContact CB-CE2 3.91Å; A275-T334 PolarHBondContact N-O 2.92Å; A275-A335 WeakPolarHBondContact O-CA 3.44Å; A275-S336 PolarHBondContact O-N 3.31Å
276S71.2Confident73.4Confident45 Ų4531.5 Ų31.532%0.31520%0.195SC..EExtended strand (participates in β ladder)trans-116.6128.7-179.8-48.90000110.8A214 A216A214-S276 PolarHBondContact O-N 3.19Å; A216-S276 PolarHBondContact N-O 2.99Å
277A67.3Low73Confident59 Ų5927.9 Ų27.949%0.48818%0.176SC..EExtended strand (participates in β ladder)trans57.367.6178.800000113.8T217 S336T217-A277 PolarHBondContact N-O 3.17Å; A277-S336 WeakPolarHBondContact CA-O 3.49Å; A277-S336 PolarHBondContact N-O 2.93Å
278T66.5Low72.5Confident2 Ų230.3 Ų30.31%0.01219%0.191CC..EExtended strand (participates in β ladder)trans-124.9128-174.1-60.20000113.7T217 F220 N280 A337 T338T217-T278 WeakPolarHBondContact O-CA 3.33Å; T217-T278 VanDerWaalsContact O-CB 3.27Å; T217-T278 WeakPolarHBondContact O-CB 3.48Å; T217-T278 VanDerWaalsContact O-CG2 3.25Å; T217-T278 WeakPolarHBondContact O-CG2 3.42Å; T217-T278 PolarHBondContact O-OG1 3.12Å; T217-T278 PolarHBondContact OG1-OG1 2.92Å; F220-T278 HydrophobicContact CB-CG2 3.83Å; T278-N280 VanDerWaalsContact CG2-O 3.25Å; T278-N280 WeakPolarHBondContact CG2-O 3.49Å; T278-A337 PolarHBondContact N-O 2.86Å; T278-A337 VanDerWaalsContact N-O 3.15Å; T278-T338 WeakPolarHBondContact O-CA 3.49Å; T278-T338 VanDerWaalsContact O-CB 3.3Å; T278-T338 WeakPolarHBondContact O-CB 3.37Å; T278-T338 WeakPolarHBondContact O-CG2 3.45Å
279T70.1Confident71.4Confident55 Ų5530 Ų3034%0.33719%0.187SC..EExtended strand (participates in β ladder)trans-72.3-45.6-179.249.70000113.4T218 T339 N340T218-T279 VanDerWaalsContact C-OG1 3.27Å; T218-T279 WeakPolarHBondContact O-CA 3.46Å; T218-T279 WeakPolarHBondContact O-CB 3.45Å; T218-T279 PolarHBondContact O-N 3.08Å; T218-T279 PolarHBondContact O-OG1 3.34Å; T279-T339 VanDerWaalsContact C-OG1 3.3Å; T279-T339 WeakPolarHBondContact CA-OG1 3.41Å; T279-T339 WeakPolarHBondContact CB-OG1 3.44Å; T279-T339 PolarHBondContact O-N 2.92Å; T279-T339 VanDerWaalsContact O-N 3.11Å; T279-T339 PolarHBondContact O-OG1 2.91Å; T279-N340 PolarHBondContact O-N 3.01Å
280N76.9Confident70.7Confident57 Ų5731 Ų3131%0.30520%0.197SC..EExtended strand (participates in β ladder)trans-128.2129.9179.2-57.7-54.6000110.9T218 N219 F220 T278 N340T218-N280 PolarHBondContact O-N 3.46Å; N219-N280 WeakPolarHBondContact CA-O 3.5Å; N219-N280 WeakPolarHBondContact OD1-CB 3.47Å; N219-N280 PolarHBondContact OD1-ND2 3Å; F220-N280 PolarHBondContact N-O 2.9Å; T278-N280 VanDerWaalsContact CG2-O 3.25Å; T278-N280 WeakPolarHBondContact CG2-O 3.49Å; N280-N340 WeakPolarHBondContact CA-O 3.24Å; N280-N340 WeakPolarHBondContact OD1-CB 3.39Å; N280-N340 PolarHBondContact OD1-ND2 2.89Å
281F76.4Confident69.8Low1 Ų128.8 Ų28.80%0.00419%0.185CC..EExtended strand (participates in β ladder)trans-123.8124.4179.7-178.4-88.4000110.5F220 I273 A275 T283 I333 T338 N340 F341 T342F220-F281 HydrophobicContact CB-CD2 4Å; F220-F281 AromaticContact CD1-CD2 3.33Å; F220-F281 HydrophobicContact CD1-CD2 3.33Å; F220-F281 AromaticContact CD1-CE2 3.27Å; F220-F281 HydrophobicContact CD1-CE2 3.27Å; F220-F281 HydrophobicContact CD1-CG 4.2Å; F220-F281 HydrophobicContact CD1-CZ 4.12Å; F220-F281 AromaticContact CE1-CD2 3.98Å; F220-F281 HydrophobicContact CE1-CD2 3.98Å; F220-F281 AromaticContact CE1-CE2 3.39Å; F220-F281 HydrophobicContact CE1-CE2 3.39Å; F220-F281 AromaticContact CE1-CZ 3.98Å; F220-F281 HydrophobicContact CE1-CZ 3.98Å; F220-F281 AromaticContact CG-CD2 3.8Å; F220-F281 HydrophobicContact CG-CD2 3.8Å; F220-F281 AromaticContact CG-CE2 4Å; F220-F281 HydrophobicContact CG-CE2 4Å; F220-F281 HydrophobicContact CZ-CE2 4.19Å; F220-F281 CarbonylContact O-C 3.59Å; F220-F281 WeakPolarHBondContact O-CA 3.36Å; I273-F281 HydrophobicContact CG2-CE2 3.81Å; I273-F281 HydrophobicContact CG2-CZ 3.79Å; A275-F281 HydrophobicContact CB-CD2 3.96Å; A275-F281 HydrophobicContact CB-CE2 3.91Å; F281-T283 HydrophobicContact CD1-CG2 4.02Å; F281-T283 HydrophobicContact CE1-CG2 3.18Å; F281-T283 HydrophobicContact CE2-CG2 4.35Å; F281-T283 HydrophobicContact CZ-CG2 3.36Å; F281-I333 HydrophobicContact CE1-CG2 3.66Å; F281-I333 HydrophobicContact CE2-CG2 4.49Å; F281-I333 HydrophobicContact CZ-CG2 3.48Å; F281-I333 VanDerWaalsContact CZ-CG2 3.48Å; F281-T338 HydrophobicContact CB-CG2 4.15Å; F281-N340 PolarHBondContact N-O 3.39Å; F281-F341 HydrophobicContact CB-CD2 4.16Å; F281-F341 AromaticContact CD1-CD2 3.51Å; F281-F341 HydrophobicContact CD1-CD2 3.51Å; F281-F341 AromaticContact CD1-CE2 3.27Å; F281-F341 HydrophobicContact CD1-CE2 3.27Å; F281-F341 HydrophobicContact CD1-CG 4.28Å; F281-F341 AromaticContact CD1-CZ 3.86Å; F281-F341 HydrophobicContact CD1-CZ 3.86Å; F281-F341 HydrophobicContact CE1-CD2 4.13Å; F281-F341 AromaticContact CE1-CE2 3.39Å; F281-F341 HydrophobicContact CE1-CE2 3.39Å; F281-F341 AromaticContact CE1-CZ 3.72Å; F281-F341 HydrophobicContact CE1-CZ 3.72Å; F281-F341 HydrophobicContact CG-CD2 4.02Å; F281-F341 HydrophobicContact CG-CE2 4.07Å; F281-F341 HydrophobicContact CZ-CE2 4.3Å; F281-T342 PolarHBondContact O-N 3.13Å; F281-T342 VanDerWaalsContact O-O 3.08Å
282T75.8Confident69Low49 Ų4931.1 Ų31.130%0.30120%0.197SC..EExtended strand (participates in β ladder)trans-133.9132.5179.7-53.30000111.3F220 T221 T222 T342F220-T282 PolarHBondContact O-N 3.3Å; T221-T282 CarbonylContact C-O 3.55Å; T221-T282 VanDerWaalsContact CA-O 3.29Å; T221-T282 WeakPolarHBondContact CA-O 3.46Å; T222-T282 PolarHBondContact N-O 2.86Å; T282-T342 VanDerWaalsContact CA-O 3.3Å; T282-T342 WeakPolarHBondContact CA-O 3.26Å
283T69.8Low68.1Low6 Ų628.8 Ų28.84%0.03718%0.182CC..EExtended strand (participates in β ladder)trans-132.8138.4176.565.40000110.8T222 I273 F281 I333 T342 T343 T344T222-T283 HydrophobicContact CG2-CG2 3.48Å; T222-T283 VanDerWaalsContact CG2-CG2 3.48Å; T222-T283 CarbonylContact O-C 3.6Å; T222-T283 WeakPolarHBondContact O-CA 3.4Å; I273-T283 HydrophobicContact CD1-CG2 4.16Å; F281-T283 HydrophobicContact CD1-CG2 4.02Å; F281-T283 HydrophobicContact CE1-CG2 3.18Å; F281-T283 HydrophobicContact CE2-CG2 4.35Å; F281-T283 HydrophobicContact CZ-CG2 3.36Å; T283-I333 HydrophobicContact CG2-CD1 4.42Å; T283-T342 PolarHBondContact N-O 3.21Å; T283-T343 WeakPolarHBondContact OG1-CA 3.4Å; T283-T343 WeakPolarHBondContact OG1-CB 3.49Å; T283-T343 WeakPolarHBondContact OG1-CG2 3.3Å; T283-T343 PolarHBondContact OG1-OG1 2.89Å; T283-T344 PolarHBondContact O-N 2.8Å
284T71Confident66.8Low43 Ų4329.8 Ų29.826%0.26419%0.189SC..EExtended strand (participates in β ladder)trans-135.2128.9174.9-55.10000110.9T222 T223 T224 T344T222-T284 PolarHBondContact O-N 3.07Å; T223-T284 CarbonylContact C-O 3.6Å; T223-T284 WeakPolarHBondContact CA-O 3.42Å; T224-T284 PolarHBondContact N-O 3.08Å; T284-T344 VanDerWaalsContact CA-O 3.25Å; T284-T344 WeakPolarHBondContact CA-O 3.39Å
285T62.1Low65.5Low13 Ų1333.4 Ų33.48%0.0820%0.201CC..EExtended strand (participates in β ladder)trans-124134.5173.5-48.70000110.1T224 T344 T346T224-T285 CarbonylContact O-C 3.59Å; T224-T285 VanDerWaalsContact O-CA 3.24Å; T224-T285 WeakPolarHBondContact O-CA 3.29Å; T285-T344 PolarHBondContact N-O 2.89Å; T285-T346 PolarHBondContact O-N 2.83Å; T285-T346 VanDerWaalsContact O-O 3.09Å
286T65.3Low64.5Low38 Ų3834.5 Ų34.523%0.23321%0.209CC..EExtended strand (participates in β ladder)trans-138.5132.7179.9-48.60000112.2T224 T225 T226 T346T224-T286 PolarHBondContact O-N 3.19Å; T225-T286 WeakPolarHBondContact CA-O 3.45Å; T226-T286 PolarHBondContact N-O 3.36Å; T286-T346 VanDerWaalsContact CA-O 3.26Å; T286-T346 WeakPolarHBondContact CA-O 3.48Å
287T60.6Low64.2Low4 Ų434.3 Ų34.33%0.02521%0.208CC..EExtended strand (participates in β ladder)trans-126140172.860.70000110.7T226 V267 V327 T348T226-T287 VanDerWaalsContact O-CA 3.25Å; T226-T287 WeakPolarHBondContact O-CA 3.4Å; V267-T287 HydrophobicContact CG1-CG2 4.44Å; T287-V327 HydrophobicContact CG2-CG1 4.43Å; T287-T348 CarbonylContact C-O 3.59Å; T287-T348 PolarHBondContact O-N 3.27Å; T287-T348 PolarHBondContact O-OG1 3.29Å
288T59.6Low64.4Low53 Ų5331.9 Ų31.933%0.32519%0.186SC..EExtended strand (participates in β ladder)trans-147.9140.7-179.551.20000111.9T226 T227 T228 T348T226-T288 PolarHBondContact O-N 3.27Å; T227-T288 WeakPolarHBondContact CG2-OG1 3.46Å; T228-T288 PolarHBondContact N-O 3.3Å; T228-T288 PolarHBondContact OG1-O 3.04Å; T228-T288 VanDerWaalsContact OG1-O 3.04Å; T288-T348 VanDerWaalsContact CA-O 3.31Å; T288-T348 WeakPolarHBondContact CA-O 2.99Å; T288-T348 WeakPolarHBondContact CG2-OG1 3.42Å
289D54.2Low65Low29 Ų2934.4 Ų34.416%0.15520%0.199CC..  trans-132.9-180176.8-167.38.5000111.9T228 D229 A264 P325 D350T228-D289 WeakPolarHBondContact OG1-CB 3.41Å; D229-D289 PolarHBondContact N-OD1 2.84Å; D229-D289 CarbonylContact O-C 3.52Å; A264-D289 WeakPolarHBondContact CB-OD2 3.24Å; D289-P325 WeakPolarHBondContact OD2-CD 3.5Å; D289-P325 WeakPolarHBondContact OD2-CG 2.92Å; D289-D350 WeakPolarHBondContact CA-OD2 3.38Å; D289-D350 WeakPolarHBondContact CB-OD2 3.35Å; D289-D350 VanDerWaalsContact CG-OD2 3.3Å; D289-D350 WeakPolarHBondContact O-CB 3.36Å
290G57.6Low65.5Low22 Ų2232 Ų3223%0.22719%0.185CC..  trans-169.697.5177.600000122.9D229 G230 F231 D350D229-G290 PolarHBondContact O-N 3.44Å; G230-G290 CarbonylContact C-O 3.41Å; G230-G290 WeakPolarHBondContact CA-O 3.08Å; F231-G290 PolarHBondContact N-O 2.95Å; G290-D350 VanDerWaalsContact C-OD1 3.28Å; G290-D350 WeakPolarHBondContact CA-OD1 3.48Å; G290-D350 VanDerWaalsContact CA-OD2 3.26Å; G290-D350 WeakPolarHBondContact CA-OD2 3.43Å; G290-D350 PolarHBondContact N-OD2 3.24Å
291F61.7Low65.9Low6 Ų631.7 Ų31.73%0.02619%0.19CC..  trans-86.2120.9169.7-175.2-88.5000114.9F231 D262 Q293 V320 D322 D350 F352 N353F231-F291 HydrophobicContact CB-CD2 3.91Å; F231-F291 HydrophobicContact CB-CE2 4.31Å; F231-F291 AromaticContact CD1-CD2 3.72Å; F231-F291 HydrophobicContact CD1-CD2 3.72Å; F231-F291 AromaticContact CD1-CE2 3.31Å; F231-F291 HydrophobicContact CD1-CE2 3.31Å; F231-F291 AromaticContact CD1-CZ 3.89Å; F231-F291 HydrophobicContact CD1-CZ 3.89Å; F231-F291 AromaticContact CE1-CE2 3.75Å; F231-F291 HydrophobicContact CE1-CE2 3.75Å; F231-F291 HydrophobicContact CE1-CZ 4.02Å; F231-F291 HydrophobicContact CG-CD2 4.04Å; F231-F291 AromaticContact CG-CE2 3.91Å; F231-F291 HydrophobicContact CG-CE2 3.91Å; D262-F291 HydrophobicContact CB-CD2 3.93Å; D262-F291 HydrophobicContact CB-CE2 3.88Å; D262-F291 WeakPolarHBondContact OD2-CD2 3.5Å; F291-Q293 HydrophobicContact CE1-CB 4.01Å; F291-Q293 HydrophobicContact CZ-CB 4.22Å; F291-V320 HydrophobicContact CZ-CG1 4.47Å; F291-D322 WeakPolarHBondContact CB-OD2 3.47Å; F291-D322 HydrophobicContact CD2-CB 4.29Å; F291-D322 WeakPolarHBondContact CD2-OD2 3.45Å; F291-D322 HydrophobicContact CE2-CB 4.43Å; F291-D322 WeakPolarHBondContact CG-OD2 3.43Å; F291-D350 PolarHBondContact N-OD1 3.35Å; F291-F352 AromaticContact CD1-CD2 3.51Å; F291-F352 HydrophobicContact CD1-CD2 3.51Å; F291-F352 AromaticContact CD1-CE2 3.94Å; F291-F352 HydrophobicContact CD1-CE2 3.94Å; F291-F352 HydrophobicContact CD1-CG 4.13Å; F291-F352 AromaticContact CE1-CD2 3.49Å; F291-F352 HydrophobicContact CE1-CD2 3.49Å; F291-F352 VanDerWaalsContact CE1-CD2 3.49Å; F291-F352 AromaticContact CE1-CE2 3.38Å; F291-F352 HydrophobicContact CE1-CE2 3.38Å; F291-F352 HydrophobicContact CE1-CG 4.34Å; F291-F352 HydrophobicContact CE1-CZ 4.16Å; F291-F352 HydrophobicContact CG-CD2 4.3Å; F291-F352 HydrophobicContact CZ-CD2 4.26Å; F291-F352 AromaticContact CZ-CE2 3.91Å; F291-F352 HydrophobicContact CZ-CE2 3.91Å; F291-N353 PolarHBondContact O-N 2.95Å
292N61.7Low66.4Low57 Ų5731.7 Ų31.731%0.30519%0.19SC..EExtended strand (participates in β ladder)trans-141.5108.8177.6-161.1-39.7000115.3F231 N232 Q233F231-N292 CarbonylContact O-C 3.56Å; F231-N292 PolarHBondContact O-N 3Å; F231-N292 VanDerWaalsContact O-O 3.1Å; N232-N292 WeakPolarHBondContact CA-O 3.37Å; Q233-N292 PolarHBondContact N-O 3.09Å
293Q63.5Low67Low12 Ų1231.7 Ų31.76%0.05619%0.192CC..EExtended strand (participates in β ladder)trans-106.2110.4171.1-170.8-178.36400111.8Q233 F291 N353 Q354 S355Q233-Q293 HydrophobicContact CB-CG 4.39Å; F291-Q293 HydrophobicContact CE1-CB 4.01Å; F291-Q293 HydrophobicContact CZ-CB 4.22Å; Q293-N353 PolarHBondContact N-O 2.67Å; Q293-Q354 WeakPolarHBondContact O-CA 3.28Å; Q293-S355 PolarHBondContact O-N 3.36Å
294S54.2Low67.8Low28 Ų2831.7 Ų31.720%0.19619%0.193CC..EExtended strand (participates in β ladder)trans-130.6120-177.465.40000115.1Q233 S234 K235Q233-S294 PolarHBondContact O-N 3.1Å; S234-S294 VanDerWaalsContact CA-O 3.29Å; S234-S294 WeakPolarHBondContact CA-O 3.24Å; K235-S294 PolarHBondContact N-O 3.44Å
295K54.3Low68.5Low123 Ų12331.5 Ų31.554%0.53519%0.193SC..  trans74.7100.6174.5-59174.2178.8164.40118.9K235 S236 S355 K356K235-K295 WeakPolarHBondContact CA-O 3.35Å; K235-K295 HydrophobicContact CG-CB 4.23Å; K235-K295 HydrophobicContact CG-CD 4.36Å; K235-K295 PolarHBondContact N-O 3.36Å; S236-K295 PolarHBondContact N-O 3.05Å; K295-S355 PolarHBondContact N-O 3.44Å; K295-K356 VanDerWaalsContact CA-O 3.32Å; K295-K356 WeakPolarHBondContact CA-O 3.45Å
296S54.9Low69.6Low23 Ų2330.9 Ų30.916%0.16119%0.189CC..  trans-162.4109.5162.7530000116.3S236 L298 S357S236-S296 WeakPolarHBondContact O-CA 3.49Å; S236-S296 WeakPolarHBondContact O-CB 3.4Å; S296-L298 PolarHBondContact O-N 2.83Å; S296-L298 VanDerWaalsContact O-N 3.15Å; S296-S357 VanDerWaalsContact C-OG 3.29Å; S296-S357 WeakPolarHBondContact O-CB 3.32Å; S296-S357 PolarHBondContact O-OG 3.41Å
297S64.7Low70.3Confident41 Ų4130.6 Ų30.629%0.28719%0.188SC..  trans-67.6116.7172.263.90000110.1L238L238-S297 PolarHBondContact N-O 3.19Å; L238-S297 VanDerWaalsContact N-O 3.08Å
298L71.6Confident70.8Confident8 Ų834.1 Ų34.14%0.04221%0.21CC..EExtended strand (participates in β ladder)trans-103.2111.7178.5174.357000108.9L238 S296 V300 Y318 S358 L359 N360L238-L298 HydrophobicContact CB-CD1 3.82Å; L238-L298 HydrophobicContact CD2-CD1 3.61Å; L238-L298 HydrophobicContact CG-CD1 3.56Å; L238-L298 WeakPolarHBondContact O-CA 3.4Å; S296-L298 PolarHBondContact O-N 2.83Å; S296-L298 VanDerWaalsContact O-N 3.15Å; L298-V300 HydrophobicContact CD1-CG2 3.35Å; L298-V300 HydrophobicContact CD2-CG2 4.27Å; L298-V300 HydrophobicContact CG-CG2 3.72Å; L298-Y318 HydrophobicContact CD2-CD2 3.93Å; L298-Y318 HydrophobicContact CD2-CE2 3.42Å; L298-Y318 VanDerWaalsContact CD2-CE2 3.42Å; L298-S358 PolarHBondContact N-O 3.47Å; L298-L359 HydrophobicContact CB-CD1 3.8Å; L298-L359 HydrophobicContact CD2-CD1 3.58Å; L298-L359 HydrophobicContact CG-CD1 3.54Å; L298-L359 WeakPolarHBondContact O-CA 3.3Å; L298-N360 PolarHBondContact O-N 2.95Å
299N79.6Confident71.4Confident54 Ų5431.9 Ų31.929%0.28920%0.197SC..EExtended strand (participates in β ladder)trans-113.2114.5172.9-58.5-59.6000108.4L238 N239 V240 N360L238-N299 PolarHBondContact O-N 3.38Å; N239-N299 WeakPolarHBondContact CA-O 3.42Å; N239-N299 PolarHBondContact OD1-ND2 3.35Å; V240-N299 PolarHBondContact N-O 3.23Å; N299-N360 WeakPolarHBondContact CA-O 3.39Å; N299-N360 PolarHBondContact OD1-ND2 3.46Å
300V80.6Confident72.7Confident6 Ų632.8 Ų32.84%0.03621%0.206CC..EExtended strand (participates in β ladder)trans-120.2123.1-179.8-1710000109.8V240 F256 L298 V302 F316 N360 V361 A362V240-V300 HydrophobicContact CB-CG1 4.39Å; V240-V300 WeakPolarHBondContact O-CA 3.34Å; F256-V300 HydrophobicContact CD2-CG1 4.5Å; F256-V300 HydrophobicContact CE1-CG1 3.94Å; F256-V300 HydrophobicContact CE2-CG1 3.86Å; F256-V300 HydrophobicContact CZ-CG1 3.56Å; F256-V300 HydrophobicContact CZ-CG2 4.33Å; L298-V300 HydrophobicContact CD1-CG2 3.35Å; L298-V300 HydrophobicContact CD2-CG2 4.27Å; L298-V300 HydrophobicContact CG-CG2 3.72Å; V300-V302 HydrophobicContact CG1-CG2 3.88Å; V300-F316 HydrophobicContact CB-CE2 4.28Å; V300-F316 HydrophobicContact CG1-CE2 3.64Å; V300-F316 HydrophobicContact CG1-CZ 4.29Å; V300-N360 PolarHBondContact N-O 2.92Å; V300-V361 HydrophobicContact CB-CG1 4.4Å; V300-V361 WeakPolarHBondContact O-CA 3.42Å; V300-A362 PolarHBondContact O-N 3.04Å
301A85.7Confident74Confident49 Ų4933.6 Ų33.641%0.40521%0.206SC..EExtended strand (participates in β ladder)trans-120.4114.7174.300000109.3V240 A241 V242 A362V240-A301 PolarHBondContact O-N 2.9Å; A241-A301 WeakPolarHBondContact CA-O 3.43Å; V242-A301 PolarHBondContact N-O 3.28Å; A301-A362 WeakPolarHBondContact CA-O 3.27Å
302V86.8Confident75.2Confident2 Ų233.3 Ų33.31%0.01221%0.205CC..EExtended strand (participates in β ladder)trans-117.7124.6177.5-174.80000109Q254 F256 V300 F316 A362 S364Q254-V302 VanDerWaalsContact OE1-CG1 3.22Å; F256-V302 HydrophobicContact CB-CG2 4.12Å; F256-V302 HydrophobicContact CD2-CG2 3.87Å; F256-V302 HydrophobicContact CE2-CG2 4.48Å; F256-V302 HydrophobicContact CG-CG2 3.94Å; V300-V302 HydrophobicContact CG1-CG2 3.88Å; V302-F316 HydrophobicContact CG2-CD2 3.93Å; V302-F316 HydrophobicContact CG2-CE2 4.14Å; V302-A362 PolarHBondContact N-O 3.12Å; V302-S364 PolarHBondContact O-N 3.24Å; V302-S364 PolarHBondContact O-OG 3.31Å
303S88.5Confident76.5Confident48 Ų4833 Ų3334%0.33620%0.203SC..EExtended strand (participates in β ladder)trans-131.1135.6179.560.50000111.2V242 S243 A244 Q254 S364V242-S303 PolarHBondContact O-N 2.9Å; V242-S303 PolarHBondContact O-OG 3.04Å; S243-S303 WeakPolarHBondContact CA-O 3.42Å; A244-S303 PolarHBondContact N-O 3.11Å; A244-S303 VanDerWaalsContact N-O 3.13Å; Q254-S303 PolarHBondContact NE2-O 3.19Å; S303-S364 WeakPolarHBondContact CA-O 3.26Å
304A86.5Confident77.7Confident7 Ų732.7 Ų32.76%0.05820%0.202CC..EExtended strand (participates in β ladder)trans-139.6139.3175.900000111.8A244 F252 Q254 F312 S364 A365 S366A244-A304 WeakPolarHBondContact O-CA 3.28Å; F252-A304 HydrophobicContact CE1-CB 3.37Å; F252-A304 HydrophobicContact CZ-CB 3.38Å; Q254-A304 HydrophobicContact CB-CB 4.47Å; Q254-A304 VanDerWaalsContact OE1-CB 3.25Å; A304-F312 HydrophobicContact CB-CE2 3.82Å; A304-F312 HydrophobicContact CB-CZ 3.5Å; A304-F312 VanDerWaalsContact CB-CZ 3.5Å; A304-S364 PolarHBondContact N-O 2.98Å; A304-S364 VanDerWaalsContact N-O 3.11Å; A304-A365 WeakPolarHBondContact O-CA 3.49Å; A304-S366 PolarHBondContact O-N 2.82Å; A304-S366 VanDerWaalsContact O-N 3.1Å
305S85.2Confident79.2Confident38 Ų3832.8 Ų32.827%0.26621%0.207SC..EExtended strand (participates in β ladder)trans-139.7126.2178.2-172.90000111.8A244 S245 N246 P307 S366A244-S305 PolarHBondContact O-N 3.13Å; A244-S305 VanDerWaalsContact O-N 3.11Å; S245-S305 WeakPolarHBondContact CA-O 3.42Å; N246-S305 PolarHBondContact N-O 3.34Å; S305-P307 WeakPolarHBondContact OG-CD 3.48Å; S305-S366 WeakPolarHBondContact CA-O 3.11Å
306N85Confident80.9Confident0 Ų027 Ų270%018%0.182CC..  trans-128.779.5168.2-171.42.7000109.9N246 G249 F252 V308 G309 F312 S366 N367N246-N306 WeakPolarHBondContact O-CA 3.47Å; N246-N306 PolarHBondContact O-OD1 3.41Å; G249-N306 PolarHBondContact O-ND2 3.44Å; G249-N306 VanDerWaalsContact O-ND2 3.14Å; G249-N306 PolarHBondContact O-OD1 3.5Å; F252-N306 HydrophobicContact CB-CB 3.9Å; F252-N306 WeakPolarHBondContact CB-ND2 3.25Å; F252-N306 HydrophobicContact CD2-CB 4.19Å; F252-N306 HydrophobicContact CG-CB 4.1Å; N306-V308 PolarHBondContact O-N 2.72Å; N306-G309 WeakPolarHBondContact ND2-CA 3.44Å; N306-F312 HydrophobicContact CB-CD2 3.72Å; N306-F312 HydrophobicContact CB-CE2 4.31Å; N306-S366 PolarHBondContact N-O 3.28Å; N306-N367 WeakPolarHBondContact O-CA 2.96Å; N306-N367 PolarHBondContact O-OD1 3.25Å
307P78.9Confident82.5Confident33 Ų3328.7 Ų28.721%0.21419%0.191CC..THydrogen-bonded Turntrans-47.8-39.7179.7-29.634.4000115.5S305 V369S305-P307 WeakPolarHBondContact OG-CD 3.48Å; P307-V369 WeakPolarHBondContact O-CG2 3.41Å; P307-V369 PolarHBondContact O-N 3.01Å
308V72.6Confident83.4Confident78 Ų7827.3 Ų27.347%0.47318%0.179SC..BIsolated β-bridgetrans-136.279-173-168.10000109.8P247 G249 N306P247-V308 WeakPolarHBondContact O-CB 3.41Å; P247-V308 PolarHBondContact O-N 2.83Å; G249-V308 PolarHBondContact N-O 3.45Å; G249-V308 VanDerWaalsContact N-O 3.13Å; N306-V308 PolarHBondContact O-N 2.72Å
309G71.2Confident84Confident5 Ų527.8 Ų27.85%0.05219%0.187CC..  trans-154.4137.7-179.100000116.1G249 N306 T311 N367 G370G249-G309 WeakPolarHBondContact O-CA 3.42Å; N306-G309 WeakPolarHBondContact ND2-CA 3.44Å; G309-T311 PolarHBondContact O-N 2.89Å; G309-N367 PolarHBondContact O-ND2 3.19Å; G309-N367 VanDerWaalsContact O-ND2 3.12Å; G309-N367 PolarHBondContact O-OD1 3.42Å; G309-G370 WeakPolarHBondContact O-CA 3.34Å
310S81.2Confident84.1Confident49 Ų4925.2 Ų25.234%0.34317%0.173SC..SBendtrans-61.7-39-176.735.80000113.8S250 S371 T372S250-S310 WeakPolarHBondContact CA-OG 3.41Å; S250-S310 PolarHBondContact O-N 2.86Å; S250-S310 VanDerWaalsContact O-N 3.14Å; S250-S310 PolarHBondContact O-OG 3.25Å; S310-S371 WeakPolarHBondContact CA-OG 3.45Å; S310-S371 WeakPolarHBondContact CB-OG 3.4Å; S310-S371 PolarHBondContact O-N 2.95Å; S310-S371 VanDerWaalsContact O-N 3.11Å; S310-S371 PolarHBondContact O-OG 3.25Å; S310-T372 PolarHBondContact O-N 3.38Å
311T84.7Confident84.1Confident39 Ų3927.1 Ų27.124%0.23919%0.185CC..EExtended strand (participates in β ladder)trans-131.7128.7-174.2-49.60000111.1S250 F252 G309S250-T311 PolarHBondContact O-N 3.26Å; F252-T311 PolarHBondContact N-O 3.03Å; G309-T311 PolarHBondContact O-N 2.89Å
312F88.9Confident83.6Confident0 Ų025.1 Ų25.10%017%0.167CC..EExtended strand (participates in β ladder)trans-127.7124.7176.3-179.6-79.2000110.6F252 A304 N306 Q314 A365 N367 T372 F373 N374F252-F312 HydrophobicContact CB-CD2 4.19Å; F252-F312 AromaticContact CD1-CD2 3.53Å; F252-F312 HydrophobicContact CD1-CD2 3.53Å; F252-F312 AromaticContact CD1-CE2 3.48Å; F252-F312 HydrophobicContact CD1-CE2 3.48Å; F252-F312 VanDerWaalsContact CD1-CE2 3.48Å; F252-F312 HydrophobicContact CD1-CG 4.28Å; F252-F312 HydrophobicContact CD1-CZ 4.16Å; F252-F312 HydrophobicContact CE1-CD2 4.15Å; F252-F312 AromaticContact CE1-CE2 3.6Å; F252-F312 HydrophobicContact CE1-CE2 3.6Å; F252-F312 HydrophobicContact CE1-CZ 4.02Å; F252-F312 AromaticContact CG-CD2 3.97Å; F252-F312 HydrophobicContact CG-CD2 3.97Å; F252-F312 HydrophobicContact CG-CE2 4.17Å; F252-F312 HydrophobicContact CZ-CE2 4.31Å; A304-F312 HydrophobicContact CB-CE2 3.82Å; A304-F312 HydrophobicContact CB-CZ 3.5Å; A304-F312 VanDerWaalsContact CB-CZ 3.5Å; N306-F312 HydrophobicContact CB-CD2 3.72Å; N306-F312 HydrophobicContact CB-CE2 4.31Å; F312-Q314 HydrophobicContact CE1-CB 3.68Å; F312-Q314 HydrophobicContact CZ-CB 4.16Å; F312-A365 HydrophobicContact CE1-CB 3.37Å; F312-A365 HydrophobicContact CZ-CB 3.39Å; F312-N367 HydrophobicContact CB-CB 3.92Å; F312-N367 VanDerWaalsContact CB-ND2 3.33Å; F312-N367 WeakPolarHBondContact CB-ND2 3.15Å; F312-N367 HydrophobicContact CD2-CB 4.19Å; F312-N367 HydrophobicContact CG-CB 4.1Å; F312-T372 PolarHBondContact N-O 3.31Å; F312-F373 HydrophobicContact CB-CD2 4.22Å; F312-F373 AromaticContact CD1-CD2 3.55Å; F312-F373 HydrophobicContact CD1-CD2 3.55Å; F312-F373 AromaticContact CD1-CE2 3.48Å; F312-F373 HydrophobicContact CD1-CE2 3.48Å; F312-F373 VanDerWaalsContact CD1-CE2 3.48Å; F312-F373 HydrophobicContact CD1-CG 4.29Å; F312-F373 HydrophobicContact CD1-CZ 4.14Å; F312-F373 HydrophobicContact CE1-CD2 4.16Å; F312-F373 AromaticContact CE1-CE2 3.58Å; F312-F373 HydrophobicContact CE1-CE2 3.58Å; F312-F373 AromaticContact CE1-CZ 3.99Å; F312-F373 HydrophobicContact CE1-CZ 3.99Å; F312-F373 HydrophobicContact CG-CD2 4.01Å; F312-F373 HydrophobicContact CG-CE2 4.19Å; F312-F373 HydrophobicContact CZ-CE2 4.31Å; F312-N374 PolarHBondContact O-N 3.48Å
313N88.7Confident82.9Confident49 Ų4927.4 Ų27.426%0.26218%0.181SC..EExtended strand (participates in β ladder)trans-127.5125.4174.7-56.5-56.5000110.1F252 N253 Q254 N374F252-N313 PolarHBondContact O-N 3.14Å; N253-N313 WeakPolarHBondContact CA-O 3.33Å; N253-N313 WeakPolarHBondContact OD1-CB 3.49Å; N253-N313 PolarHBondContact OD1-ND2 3.33Å; Q254-N313 PolarHBondContact N-O 3.48Å; N313-N374 WeakPolarHBondContact CA-O 3.4Å; N313-N374 WeakPolarHBondContact OD1-CB 3.43Å; N313-N374 PolarHBondContact OD1-ND2 3.12Å
314Q88.7Confident81.7Confident7 Ų726 Ų263%0.03317%0.172CC..EExtended strand (participates in β ladder)trans-128127.1170.5-177.3-174.461.400110.1Q254 F312 V363 S364 A365 N374 Q375 G376Q254-Q314 VanDerWaalsContact O-CA 3.31Å; Q254-Q314 WeakPolarHBondContact O-CA 3.36Å; F312-Q314 HydrophobicContact CE1-CB 3.68Å; F312-Q314 HydrophobicContact CZ-CB 4.16Å; Q314-V363 VanDerWaalsContact OE1-CG1 3.23Å; Q314-S364 PolarHBondContact NE2-O 3.46Å; Q314-A365 HydrophobicContact CB-CB 4.5Å; Q314-A365 VanDerWaalsContact OE1-CB 3.23Å; Q314-N374 PolarHBondContact N-O 2.81Å; Q314-Q375 CarbonylContact O-C 3.57Å; Q314-Q375 VanDerWaalsContact O-CA 3.31Å; Q314-Q375 WeakPolarHBondContact O-CA 3.46Å; Q314-G376 PolarHBondContact O-N 3.23Å
315G85.8Confident80.4Confident29 Ų2925.7 Ų25.730%0.29917%0.17SC..EExtended strand (participates in β ladder)trans-120.1136.9174.200000111.9Q254 F256Q254-G315 PolarHBondContact O-N 3.33Å; F256-G315 PolarHBondContact N-O 3.13Å
316F89Confident79.7Confident2 Ų227.6 Ų27.61%0.00918%0.177CC..EExtended strand (participates in β ladder)trans-126122.5169.6-178.1-81.9000109.5F256 V300 V302 V361 V363 G376 F377 T378F256-F316 HydrophobicContact CB-CD2 4.1Å; F256-F316 AromaticContact CD1-CD2 3.44Å; F256-F316 HydrophobicContact CD1-CD2 3.44Å; F256-F316 VanDerWaalsContact CD1-CD2 3.44Å; F256-F316 AromaticContact CD1-CE2 3.24Å; F256-F316 HydrophobicContact CD1-CE2 3.24Å; F256-F316 HydrophobicContact CD1-CG 4.3Å; F256-F316 AromaticContact CD1-CZ 3.96Å; F256-F316 HydrophobicContact CD1-CZ 3.96Å; F256-F316 HydrophobicContact CE1-CD2 4.15Å; F256-F316 AromaticContact CE1-CE2 3.46Å; F256-F316 HydrophobicContact CE1-CE2 3.46Å; F256-F316 VanDerWaalsContact CE1-CE2 3.46Å; F256-F316 AromaticContact CE1-CZ 3.89Å; F256-F316 HydrophobicContact CE1-CZ 3.89Å; F256-F316 AromaticContact CG-CD2 3.93Å; F256-F316 HydrophobicContact CG-CD2 3.93Å; F256-F316 HydrophobicContact CG-CE2 4.02Å; F256-F316 HydrophobicContact CZ-CE2 4.37Å; F256-F316 WeakPolarHBondContact O-CA 3.5Å; V300-F316 HydrophobicContact CB-CE2 4.28Å; V300-F316 HydrophobicContact CG1-CE2 3.64Å; V300-F316 HydrophobicContact CG1-CZ 4.29Å; V302-F316 HydrophobicContact CG2-CD2 3.93Å; V302-F316 HydrophobicContact CG2-CE2 4.14Å; F316-V361 HydrophobicContact CD2-CG1 4.44Å; F316-V361 HydrophobicContact CE1-CG1 3.91Å; F316-V361 HydrophobicContact CE2-CG1 3.77Å; F316-V361 HydrophobicContact CZ-CG1 3.48Å; F316-V361 VanDerWaalsContact CZ-CG1 3.48Å; F316-V361 HydrophobicContact CZ-CG2 4.34Å; F316-V363 HydrophobicContact CB-CG2 4.15Å; F316-V363 HydrophobicContact CD2-CG2 3.81Å; F316-V363 HydrophobicContact CE2-CG2 4.41Å; F316-V363 HydrophobicContact CG-CG2 3.94Å; F316-G376 PolarHBondContact N-O 3.49Å; F316-F377 HydrophobicContact CB-CD2 4.07Å; F316-F377 AromaticContact CD1-CD2 3.44Å; F316-F377 HydrophobicContact CD1-CD2 3.44Å; F316-F377 VanDerWaalsContact CD1-CD2 3.44Å; F316-F377 AromaticContact CD1-CE2 3.25Å; F316-F377 HydrophobicContact CD1-CE2 3.25Å; F316-F377 HydrophobicContact CD1-CG 4.27Å; F316-F377 AromaticContact CD1-CZ 3.96Å; F316-F377 HydrophobicContact CD1-CZ 3.96Å; F316-F377 HydrophobicContact CE1-CD2 4.16Å; F316-F377 AromaticContact CE1-CE2 3.48Å; F316-F377 HydrophobicContact CE1-CE2 3.48Å; F316-F377 VanDerWaalsContact CE1-CE2 3.48Å; F316-F377 AromaticContact CE1-CZ 3.89Å; F316-F377 HydrophobicContact CE1-CZ 3.89Å; F316-F377 AromaticContact CG-CD2 3.9Å; F316-F377 HydrophobicContact CG-CD2 3.9Å; F316-F377 AromaticContact CG-CE2 4Å; F316-F377 HydrophobicContact CG-CE2 4Å; F316-F377 HydrophobicContact CZ-CE2 4.35Å; F316-F377 WeakPolarHBondContact O-CA 3.32Å; F316-T378 PolarHBondContact O-N 3.43Å
317T88.2Confident79Confident58 Ų5827.9 Ų27.936%0.35618%0.179SC..EExtended strand (participates in β ladder)trans-127.6126.6176.2-55.50000109.9F256 T257 Y258 T378F256-T317 PolarHBondContact O-N 3.2Å; T257-T317 WeakPolarHBondContact CA-O 3.46Å; Y258-T317 PolarHBondContact N-O 3.32Å; T317-T378 WeakPolarHBondContact CA-O 3.32Å
318Y84.5Confident78.9Confident12 Ų1227.9 Ų27.95%0.04718%0.18CC..EExtended strand (participates in β ladder)trans-115.7118.8165.4178.6-84.9000107.8Y258 L298 V320 T378 Y379 G380Y258-Y318 AromaticContact CD1-CD2 3.33Å; Y258-Y318 HydrophobicContact CD1-CD2 3.33Å; Y258-Y318 AromaticContact CD1-CE2 3.23Å; Y258-Y318 HydrophobicContact CD1-CE2 3.23Å; Y258-Y318 HydrophobicContact CD1-CG 4.22Å; Y258-Y318 AromaticContact CE1-CD2 3.95Å; Y258-Y318 HydrophobicContact CE1-CD2 3.95Å; Y258-Y318 AromaticContact CE1-CE2 3.32Å; Y258-Y318 HydrophobicContact CE1-CE2 3.32Å; Y258-Y318 AromaticContact CE1-CZ 3.92Å; Y258-Y318 AromaticContact CG-CD2 3.87Å; Y258-Y318 HydrophobicContact CG-CD2 3.87Å; Y258-Y318 HydrophobicContact CG-CE2 4.05Å; L298-Y318 HydrophobicContact CD2-CD2 3.93Å; L298-Y318 HydrophobicContact CD2-CE2 3.42Å; L298-Y318 VanDerWaalsContact CD2-CE2 3.42Å; Y318-V320 HydrophobicContact CE1-CG2 3.88Å; Y318-T378 PolarHBondContact N-O 3.13Å; Y318-Y379 AromaticContact CD1-CD2 3.37Å; Y318-Y379 HydrophobicContact CD1-CD2 3.37Å; Y318-Y379 AromaticContact CD1-CE2 3.29Å; Y318-Y379 HydrophobicContact CD1-CE2 3.29Å; Y318-Y379 HydrophobicContact CD1-CG 4.19Å; Y318-Y379 AromaticContact CE1-CD2 3.97Å; Y318-Y379 HydrophobicContact CE1-CD2 3.97Å; Y318-Y379 AromaticContact CE1-CE2 3.36Å; Y318-Y379 HydrophobicContact CE1-CE2 3.36Å; Y318-Y379 AromaticContact CE1-CZ 3.87Å; Y318-Y379 AromaticContact CG-CD2 3.94Å; Y318-Y379 HydrophobicContact CG-CD2 3.94Å; Y318-Y379 HydrophobicContact CG-CE2 4.14Å; Y318-Y379 WeakPolarHBondContact O-CA 3.46Å; Y318-G380 PolarHBondContact O-N 2.91Å
319G84.3Confident79Confident19 Ų1924.3 Ų24.320%0.19616%0.158CC..EExtended strand (participates in β ladder)trans-129.8132.617800000110.7Y258 G259 V260 G380Y258-G319 PolarHBondContact O-N 2.95Å; G259-G319 WeakPolarHBondContact CA-O 3.04Å; V260-G319 PolarHBondContact N-O 3.32Å; V260-G319 VanDerWaalsContact N-O 3.09Å; G319-G380 WeakPolarHBondContact CA-O 3.37Å
320V80.3Confident79.5Confident0 Ų026.6 Ų26.60%017%0.169CC..EExtended strand (participates in β ladder)trans-123.4125161179.30000105.8V260 F291 Y318 F352 G380 V381 T382V260-V320 HydrophobicContact CB-CG1 4.5Å; V260-V320 HydrophobicContact CB-CG2 4.44Å; V260-V320 WeakPolarHBondContact O-CA 3.43Å; F291-V320 HydrophobicContact CZ-CG1 4.47Å; Y318-V320 HydrophobicContact CE1-CG2 3.88Å; V320-F352 HydrophobicContact CG1-CE2 4.19Å; V320-F352 HydrophobicContact CG1-CZ 4.44Å; V320-G380 PolarHBondContact N-O 2.69Å; V320-G380 VanDerWaalsContact N-O 3.13Å; V320-V381 HydrophobicContact CB-CG2 4.43Å; V320-V381 WeakPolarHBondContact O-CA 3.45Å; V320-T382 PolarHBondContact O-N 3.4Å
321T81.4Confident79.4Confident46 Ų4624.8 Ų24.828%0.28216%0.156SC..EExtended strand (participates in β ladder)trans-124.8121.8177.1-600000106.9V260 T261 D262 T382V260-T321 PolarHBondContact O-N 2.98Å; T261-T321 WeakPolarHBondContact CA-O 3.41Å; D262-T321 PolarHBondContact N-O 3.37Å; T321-T382 WeakPolarHBondContact CA-O 3.37Å
322D75Confident79.4Confident7 Ų725.9 Ų25.94%0.03716%0.163CC..  trans-105.8136.4163.6-168.27.2000107F291 F352 T382 T384F291-D322 WeakPolarHBondContact CB-OD2 3.47Å; F291-D322 HydrophobicContact CD2-CB 4.29Å; F291-D322 WeakPolarHBondContact CD2-OD2 3.45Å; F291-D322 HydrophobicContact CE2-CB 4.43Å; F291-D322 WeakPolarHBondContact CG-OD2 3.43Å; D322-F352 HydrophobicContact CB-CD2 3.71Å; D322-F352 HydrophobicContact CB-CE2 4.12Å; D322-T382 PolarHBondContact N-O 3.09Å; D322-T384 PolarHBondContact O-N 3.14Å
323T71.9Confident79.1Confident49 Ų4926.1 Ų26.130%0.30116%0.164SC..  trans-139.3101.6179-57.20000105.6D262 A264D262-T323 PolarHBondContact O-N 2.81Å; A264-T323 WeakPolarHBondContact CB-O 3.47Å; A264-T323 PolarHBondContact N-O 3.06Å
324A63.1Low78.9Confident18 Ų1826 Ų2615%0.14917%0.166CC..PPolyproline II helixtrans-73.9166.5-178.800000110.6T384 P386A324-T384 WeakPolarHBondContact CB-O 3.35Å; A324-T384 PolarHBondContact N-O 3.11Å; A324-P386 HydrophobicContact CB-CB 3.94Å; A324-P386 HydrophobicContact CB-CG 3.57Å
325P60.8Low78.3Confident1 Ų125.8 Ų25.81%0.00616%0.164CC..PPolyproline II helixtrans-98129.9-167.930.7-25.7000115.8A264 P265 D289 V327 P386A264-P325 HydrophobicContact CB-CB 3.91Å; A264-P325 HydrophobicContact CB-CG 3.68Å; P265-P325 WeakPolarHBondContact O-CB 3.41Å; D289-P325 WeakPolarHBondContact OD2-CD 3.5Å; D289-P325 WeakPolarHBondContact OD2-CG 2.92Å; P325-V327 VanDerWaalsContact O-CG2 3.24Å; P325-V327 WeakPolarHBondContact O-CG2 2.93Å; P325-V327 PolarHBondContact O-N 3.01Å; P325-V327 VanDerWaalsContact O-N 3.14Å; P325-P386 WeakPolarHBondContact O-CB 3.07Å; P325-P386 WeakPolarHBondContact O-CG 2.9Å
326D69.4Low77.7Confident79 Ų7926.4 Ų26.442%0.42216%0.164SC..PPolyproline II helixtrans-57.1123.6178.1-78.3-11.9000110.4D266 V267 D387D266-D326 PolarHBondContact OD1-N 2.79Å; D266-D326 VanDerWaalsContact OD1-N 3.13Å; V267-D326 PolarHBondContact N-O 3.02Å; D326-D387 PolarHBondContact OD1-N 2.98Å
327V69.9Low76.7Confident6 Ų629 Ų294%0.03619%0.187CC..EExtended strand (participates in β ladder)trans-105.3109.9-176.5-175.20000109.4T287 P325 T329 T347 T349 D387 V388 S389T287-V327 HydrophobicContact CG2-CG1 4.43Å; P325-V327 VanDerWaalsContact O-CG2 3.24Å; P325-V327 WeakPolarHBondContact O-CG2 2.93Å; P325-V327 PolarHBondContact O-N 3.01Å; P325-V327 VanDerWaalsContact O-N 3.14Å; V327-T329 HydrophobicContact CG1-CG2 4.2Å; V327-T347 HydrophobicContact CG1-CG2 4.47Å; V327-T349 HydrophobicContact CG2-CG2 4.07Å; V327-D387 PolarHBondContact N-O 2.94Å; V327-V388 HydrophobicContact CB-CG1 4.46Å; V327-V388 HydrophobicContact CB-CG2 4.49Å; V327-S389 PolarHBondContact O-N 2.9Å
328S78.1Confident75.8Confident33 Ų3326.4 Ų26.423%0.23117%0.171CC..EExtended strand (participates in β ladder)trans-111.1122.5172.965.70000112V267 S268 T269 S389V267-S328 PolarHBondContact O-N 2.83Å; V267-S328 PolarHBondContact O-OG 3.03Å; S268-S328 WeakPolarHBondContact CA-OG 3.44Å; S268-S328 WeakPolarHBondContact CB-OG 3.37Å; T269-S328 PolarHBondContact N-O 2.9Å; T269-S328 PolarHBondContact OG1-O 2.86Å; S328-S389 WeakPolarHBondContact CA-O 3.45Å; S328-S389 WeakPolarHBondContact CA-OG 3.49Å; S328-S389 WeakPolarHBondContact CB-OG 3.4Å
329T74.7Confident75.2Confident2 Ų228.6 Ų28.61%0.01219%0.185CC..EExtended strand (participates in β ladder)trans-120.6109.8174.668.10000109.9T269 V327 T347 S389 T390 N391T269-T329 WeakPolarHBondContact OG1-CA 3.45Å; T269-T329 WeakPolarHBondContact OG1-CB 3.5Å; T269-T329 VanDerWaalsContact OG1-CG2 3.3Å; T269-T329 WeakPolarHBondContact OG1-CG2 3.44Å; V327-T329 HydrophobicContact CG1-CG2 4.2Å; T329-T347 HydrophobicContact CG2-CG2 3.87Å; T329-S389 PolarHBondContact N-O 3.43Å; T329-T390 WeakPolarHBondContact OG1-CA 3.47Å; T329-T390 WeakPolarHBondContact OG1-CB 3.33Å; T329-T390 VanDerWaalsContact OG1-CG2 3.3Å; T329-T390 WeakPolarHBondContact OG1-CG2 3.45Å; T329-N391 PolarHBondContact O-N 3.21Å
330N81.4Confident74.9Confident53 Ų5330.4 Ų30.428%0.28319%0.19SC..EExtended strand (participates in β ladder)trans-114.9115.9179.5-57.7-58.3000110.1T269 N270 S271 N391T269-N330 PolarHBondContact O-N 2.87Å; N270-N330 CarbonylContact C-O 3.6Å; N270-N330 WeakPolarHBondContact CA-O 3.43Å; N270-N330 WeakPolarHBondContact OD1-CB 3.48Å; N270-N330 PolarHBondContact OD1-ND2 2.76Å; S271-N330 PolarHBondContact N-O 3.11Å; N330-N391 CarbonylContact C-O 3.6Å; N330-N391 WeakPolarHBondContact CA-O 3.4Å; N330-N391 WeakPolarHBondContact OD1-CB 3.44Å; N330-N391 PolarHBondContact OD1-ND2 2.84Å
331S79.3Confident74.9Confident12 Ų1230.5 Ų30.58%0.08419%0.191CC..EExtended strand (participates in β ladder)trans-122.8122.5-178.7-70.40000111.6S271 N391 S392 T393S271-S331 CarbonylContact O-C 3.44Å; S271-S331 WeakPolarHBondContact O-CA 3.46Å; S331-N391 PolarHBondContact N-O 3.09Å; S331-S392 CarbonylContact O-C 3.56Å; S331-S392 WeakPolarHBondContact O-CA 3.41Å; S331-T393 PolarHBondContact O-N 2.9Å
332T85.1Confident74.9Confident62 Ų6230.7 Ų30.738%0.3819%0.192SC..EExtended strand (participates in β ladder)trans-112.9112.1168.9-590000109.3S271 T272 I273 T393S271-T332 PolarHBondContact O-N 3.21Å; T272-T332 CarbonylContact C-O 3.57Å; T272-T332 WeakPolarHBondContact CA-O 3.34Å; I273-T332 PolarHBondContact N-O 3.26Å; T332-T393 CarbonylContact C-O 3.53Å; T332-T393 WeakPolarHBondContact CA-O 3.31Å
333I82.1Confident74.9Confident5 Ų530.6 Ų30.63%0.02619%0.192CC..EExtended strand (participates in β ladder)trans-117.7121.6-176-55.6176.5000109.6I273 F281 T283 F341 T343 T393 I394 T395I273-I333 HydrophobicContact CB-CG1 4.48Å; I273-I333 HydrophobicContact CD1-CG1 4.33Å; I273-I333 CarbonylContact O-C 3.59Å; I273-I333 WeakPolarHBondContact O-CA 3.29Å; F281-I333 HydrophobicContact CE1-CG2 3.66Å; F281-I333 HydrophobicContact CE2-CG2 4.49Å; F281-I333 HydrophobicContact CZ-CG2 3.48Å; F281-I333 VanDerWaalsContact CZ-CG2 3.48Å; T283-I333 HydrophobicContact CG2-CD1 4.42Å; I333-F341 HydrophobicContact CG2-CE2 3.94Å; I333-F341 HydrophobicContact CG2-CZ 3.91Å; I333-T343 HydrophobicContact CD1-CG2 4.09Å; I333-T393 PolarHBondContact N-O 3.48Å; I333-I394 HydrophobicContact CB-CG1 4.39Å; I333-I394 HydrophobicContact CD1-CG1 4.4Å; I333-I394 CarbonylContact O-C 3.54Å; I333-I394 WeakPolarHBondContact O-CA 3.34Å; I333-T395 PolarHBondContact O-N 2.87Å
334T83.3Confident75.1Confident47 Ų4730.2 Ų30.229%0.28819%0.189SC..EExtended strand (participates in β ladder)trans-120.3118.1173.3-57.40000110.3I273 T274 A275 T395I273-T334 PolarHBondContact O-N 3.4Å; T274-T334 CarbonylContact C-O 3.54Å; T274-T334 WeakPolarHBondContact CA-O 3.43Å; A275-T334 PolarHBondContact N-O 2.92Å; T334-T395 CarbonylContact C-O 3.58Å; T334-T395 WeakPolarHBondContact CA-O 3.45Å
335A77.5Confident75.3Confident1 Ų129.6 Ų29.61%0.00818%0.184CC..EExtended strand (participates in β ladder)trans-122.8127.317800000111.3A275 F341 T395 A396 S397A275-A335 WeakPolarHBondContact O-CA 3.44Å; A335-F341 HydrophobicContact CB-CD2 3.93Å; A335-F341 HydrophobicContact CB-CE2 3.86Å; A335-T395 PolarHBondContact N-O 2.88Å; A335-A396 VanDerWaalsContact O-CA 3.32Å; A335-A396 WeakPolarHBondContact O-CA 3.44Å; A335-S397 PolarHBondContact O-N 2.87Å
336S73.3Confident75.6Confident42 Ų4231.4 Ų31.429%0.29420%0.195SC..EExtended strand (participates in β ladder)trans-119.1127.9-179.9-47.20000111A275 A277 S397A275-S336 PolarHBondContact O-N 3.31Å; A277-S336 WeakPolarHBondContact CA-O 3.49Å; A277-S336 PolarHBondContact N-O 2.93Å; S336-S397 WeakPolarHBondContact CA-OG 3.44Å
337A68.2Low75.4Confident58 Ų5827.8 Ų27.848%0.47918%0.175SC..EExtended strand (participates in β ladder)trans5876.1179.900000113.8T278 S397T278-A337 PolarHBondContact N-O 2.86Å; T278-A337 VanDerWaalsContact N-O 3.15Å; A337-S397 WeakPolarHBondContact CA-O 3.31Å; A337-S397 PolarHBondContact N-O 3.41Å
338T67.4Low75Confident3 Ų329.3 Ų29.32%0.01819%0.185CC..EExtended strand (participates in β ladder)trans-129.1130.4-172.2-46.90000114.1T278 F281 N340 A398 T399 T400T278-T338 WeakPolarHBondContact O-CA 3.49Å; T278-T338 VanDerWaalsContact O-CB 3.3Å; T278-T338 WeakPolarHBondContact O-CB 3.37Å; T278-T338 WeakPolarHBondContact O-CG2 3.45Å; F281-T338 HydrophobicContact CB-CG2 4.15Å; T338-N340 WeakPolarHBondContact CG2-O 3.48Å; T338-A398 PolarHBondContact N-O 3.31Å; T338-T399 WeakPolarHBondContact O-CA 3.47Å; T338-T399 WeakPolarHBondContact O-CB 3.44Å; T338-T399 WeakPolarHBondContact O-CG2 3.42Å; T338-T400 PolarHBondContact O-N 2.93Å
339T72Confident74.1Confident58 Ų5828.5 Ų28.536%0.35618%0.179SC..EExtended strand (participates in β ladder)trans-73.5-48.8178.546.30000112.9T279 T400 N401T279-T339 VanDerWaalsContact C-OG1 3.3Å; T279-T339 WeakPolarHBondContact CA-OG1 3.41Å; T279-T339 WeakPolarHBondContact CB-OG1 3.44Å; T279-T339 PolarHBondContact O-N 2.92Å; T279-T339 VanDerWaalsContact O-N 3.11Å; T279-T339 PolarHBondContact O-OG1 2.91Å; T339-T400 VanDerWaalsContact C-OG1 3.28Å; T339-T400 WeakPolarHBondContact CA-OG1 3.42Å; T339-T400 PolarHBondContact O-N 3.33Å; T339-T400 VanDerWaalsContact O-N 3.13Å; T339-T400 PolarHBondContact O-OG1 3.33Å; T339-N401 PolarHBondContact O-N 3.4Å
340N78.8Confident73.3Confident57 Ų5729.9 Ų29.931%0.30519%0.186SC..EExtended strand (participates in β ladder)trans-127.2126.2179.6-55-57.3000110.6T279 N280 F281 T338 N401T279-N340 PolarHBondContact O-N 3.01Å; N280-N340 WeakPolarHBondContact CA-O 3.24Å; N280-N340 WeakPolarHBondContact OD1-CB 3.39Å; N280-N340 PolarHBondContact OD1-ND2 2.89Å; F281-N340 PolarHBondContact N-O 3.39Å; T338-N340 WeakPolarHBondContact CG2-O 3.48Å; N340-N401 WeakPolarHBondContact CA-O 3.4Å; N340-N401 PolarHBondContact OD1-ND2 2.75Å
341F80.8Confident72.4Confident1 Ų127.8 Ų27.80%0.00418%0.177CC..EExtended strand (participates in β ladder)trans-116.1125.2177-176.6-80.8000109.8F281 I333 A335 T343 I394 T399 N401 F402 T403 T404F281-F341 HydrophobicContact CB-CD2 4.16Å; F281-F341 AromaticContact CD1-CD2 3.51Å; F281-F341 HydrophobicContact CD1-CD2 3.51Å; F281-F341 AromaticContact CD1-CE2 3.27Å; F281-F341 HydrophobicContact CD1-CE2 3.27Å; F281-F341 HydrophobicContact CD1-CG 4.28Å; F281-F341 AromaticContact CD1-CZ 3.86Å; F281-F341 HydrophobicContact CD1-CZ 3.86Å; F281-F341 HydrophobicContact CE1-CD2 4.13Å; F281-F341 AromaticContact CE1-CE2 3.39Å; F281-F341 HydrophobicContact CE1-CE2 3.39Å; F281-F341 AromaticContact CE1-CZ 3.72Å; F281-F341 HydrophobicContact CE1-CZ 3.72Å; F281-F341 HydrophobicContact CG-CD2 4.02Å; F281-F341 HydrophobicContact CG-CE2 4.07Å; F281-F341 HydrophobicContact CZ-CE2 4.3Å; I333-F341 HydrophobicContact CG2-CE2 3.94Å; I333-F341 HydrophobicContact CG2-CZ 3.91Å; A335-F341 HydrophobicContact CB-CD2 3.93Å; A335-F341 HydrophobicContact CB-CE2 3.86Å; F341-T343 WeakPolarHBondContact CE1-OG1 3.13Å; F341-T343 WeakPolarHBondContact CZ-OG1 3.3Å; F341-I394 HydrophobicContact CE1-CG2 3.84Å; F341-I394 HydrophobicContact CE2-CG2 4.33Å; F341-I394 HydrophobicContact CZ-CG2 3.5Å; F341-I394 VanDerWaalsContact CZ-CG2 3.5Å; F341-T399 HydrophobicContact CB-CG2 4.05Å; F341-N401 PolarHBondContact N-O 2.93Å; F341-F402 HydrophobicContact CB-CD2 3.86Å; F341-F402 HydrophobicContact CB-CE2 4.41Å; F341-F402 AromaticContact CD1-CD2 3.46Å; F341-F402 HydrophobicContact CD1-CD2 3.46Å; F341-F402 VanDerWaalsContact CD1-CD2 3.46Å; F341-F402 AromaticContact CD1-CE2 3.22Å; F341-F402 HydrophobicContact CD1-CE2 3.22Å; F341-F402 HydrophobicContact CD1-CG 4.28Å; F341-F402 AromaticContact CD1-CZ 3.88Å; F341-F402 HydrophobicContact CD1-CZ 3.88Å; F341-F402 HydrophobicContact CD2-CE2 4.47Å; F341-F402 HydrophobicContact CE1-CD2 4.19Å; F341-F402 AromaticContact CE1-CE2 3.46Å; F341-F402 HydrophobicContact CE1-CE2 3.46Å; F341-F402 VanDerWaalsContact CE1-CE2 3.46Å; F341-F402 AromaticContact CE1-CZ 3.82Å; F341-F402 HydrophobicContact CE1-CZ 3.82Å; F341-F402 AromaticContact CG-CD2 3.76Å; F341-F402 HydrophobicContact CG-CD2 3.76Å; F341-F402 AromaticContact CG-CE2 3.79Å; F341-F402 HydrophobicContact CG-CE2 3.79Å; F341-F402 HydrophobicContact CZ-CE2 4.19Å; F341-T403 PolarHBondContact O-N 3.12Å; F341-T404 HydrophobicContact CE1-CG2 4.16Å
342T80.2Confident72Confident50 Ų5027.2 Ų27.231%0.30717%0.173SC..EExtended strand (participates in β ladder)trans-133.5134.8176.8-55.50000110.2F281 T282 T283 T403F281-T342 PolarHBondContact O-N 3.13Å; F281-T342 VanDerWaalsContact O-O 3.08Å; T282-T342 VanDerWaalsContact CA-O 3.3Å; T282-T342 WeakPolarHBondContact CA-O 3.26Å; T283-T342 PolarHBondContact N-O 3.21Å; T342-T403 VanDerWaalsContact CA-O 3.28Å; T342-T403 WeakPolarHBondContact CA-O 3.48Å
343T76.3Confident71.2Confident5 Ų526.7 Ų26.73%0.03117%0.168CC..EExtended strand (participates in β ladder)trans-141.1132.4176.5-67.90000109.4T283 I333 F341 I394 T403 T405T283-T343 WeakPolarHBondContact OG1-CA 3.4Å; T283-T343 WeakPolarHBondContact OG1-CB 3.49Å; T283-T343 WeakPolarHBondContact OG1-CG2 3.3Å; T283-T343 PolarHBondContact OG1-OG1 2.89Å; I333-T343 HydrophobicContact CD1-CG2 4.09Å; F341-T343 WeakPolarHBondContact CE1-OG1 3.13Å; F341-T343 WeakPolarHBondContact CZ-OG1 3.3Å; T343-I394 HydrophobicContact CG2-CD1 4.32Å; T343-T403 PolarHBondContact N-O 3.32Å; T343-T405 PolarHBondContact O-N 2.62Å
344T76Confident70.7Confident42 Ų4226.9 Ų26.926%0.25817%0.168SC..EExtended strand (participates in β ladder)trans-129.3123.1177.6-54.90000110.5T283 T284 T285 T405T283-T344 PolarHBondContact O-N 2.8Å; T284-T344 VanDerWaalsContact CA-O 3.25Å; T284-T344 WeakPolarHBondContact CA-O 3.39Å; T285-T344 PolarHBondContact N-O 2.89Å; T344-T405 CarbonylContact C-O 3.55Å; T344-T405 WeakPolarHBondContact CA-O 3.47Å
345T65.7Low69.5Low5 Ų526.2 Ų26.23%0.03117%0.166CC..EExtended strand (participates in β ladder)trans-117.3127.5172.6-560000108.5T405 T406 T407T345-T405 PolarHBondContact N-O 3.2Å; T345-T406 CarbonylContact O-C 3.6Å; T345-T407 PolarHBondContact O-N 3.36Å
346T68.5Low68.6Low38 Ų3833.2 Ų33.223%0.23320%0.196CC..EExtended strand (participates in β ladder)trans-128.7118.7176.4-53.90000109.8T285 T286 T348 T407T285-T346 PolarHBondContact O-N 2.83Å; T285-T346 VanDerWaalsContact O-O 3.09Å; T286-T346 VanDerWaalsContact CA-O 3.26Å; T286-T346 WeakPolarHBondContact CA-O 3.48Å; T346-T348 HydrophobicContact CG2-CG2 4.03Å; T346-T407 CarbonylContact C-O 3.57Å; T346-T407 WeakPolarHBondContact CA-O 3.45Å
347T64.1Low67.7Low3 Ų332.6 Ų32.62%0.01819%0.192CC..EExtended strand (participates in β ladder)trans-111.3125.9170.544.10000108.2V327 T329 T390 T407 T408 T409V327-T347 HydrophobicContact CG1-CG2 4.47Å; T329-T347 HydrophobicContact CG2-CG2 3.87Å; T347-T390 HydrophobicContact CG2-CG2 4.09Å; T347-T407 PolarHBondContact N-O 3Å; T347-T408 CarbonylContact O-C 3.25Å; T347-T408 WeakPolarHBondContact O-CA 3.43Å; T347-T408 WeakPolarHBondContact OG1-CA 3.33Å; T347-T408 WeakPolarHBondContact OG1-CB 3.25Å; T347-T408 VanDerWaalsContact OG1-CG2 3.29Å; T347-T408 WeakPolarHBondContact OG1-CG2 3.26Å; T347-T408 PolarHBondContact OG1-OG1 3.39Å; T347-T409 PolarHBondContact O-N 3.13Å; T347-T409 PolarHBondContact O-OG1 3.27Å
348T61.5Low67.7Low39 Ų3931.4 Ų31.424%0.23918%0.18CC..EExtended strand (participates in β ladder)trans-124.2120.317557.50000108.8T287 T288 T346 T409T287-T348 CarbonylContact C-O 3.59Å; T287-T348 PolarHBondContact O-N 3.27Å; T287-T348 PolarHBondContact O-OG1 3.29Å; T288-T348 VanDerWaalsContact CA-O 3.31Å; T288-T348 WeakPolarHBondContact CA-O 2.99Å; T288-T348 WeakPolarHBondContact CG2-OG1 3.42Å; T346-T348 HydrophobicContact CG2-CG2 4.03Å; T348-T409 WeakPolarHBondContact CA-O 3.33Å; T348-T409 WeakPolarHBondContact CG2-OG1 3.36Å
349T59.4Low68Low16 Ų1631.5 Ų31.510%0.09818%0.18CC..  trans-104.4147.4168.343.40000108.8V327 P386 V388 T409 T410V327-T349 HydrophobicContact CG2-CG2 4.07Å; T349-P386 HydrophobicContact CG2-CG 3.86Å; T349-V388 HydrophobicContact CG2-CG2 4.24Å; T349-T409 PolarHBondContact N-O 3.41Å; T349-T410 WeakPolarHBondContact OG1-CA 3.35Å; T349-T410 VanDerWaalsContact OG1-CG2 3.28Å; T349-T410 WeakPolarHBondContact OG1-CG2 2.93Å
350D58.2Low68.5Low30 Ų3031.2 Ų31.216%0.1618%0.176CC..  trans-91.6176.7174.375.399.9000112D289 G290 F291D289-D350 WeakPolarHBondContact CA-OD2 3.38Å; D289-D350 WeakPolarHBondContact CB-OD2 3.35Å; D289-D350 VanDerWaalsContact CG-OD2 3.3Å; D289-D350 WeakPolarHBondContact O-CB 3.36Å; G290-D350 VanDerWaalsContact C-OD1 3.28Å; G290-D350 WeakPolarHBondContact CA-OD1 3.48Å; G290-D350 VanDerWaalsContact CA-OD2 3.26Å; G290-D350 WeakPolarHBondContact CA-OD2 3.43Å; G290-D350 PolarHBondContact N-OD2 3.24Å; F291-D350 PolarHBondContact N-OD1 3.35Å
351G61.7Low68.8Low9 Ų928.8 Ų28.89%0.09316%0.164CC..  trans-131.4154.1-174.700000112.8N353 D411G351-N353 PolarHBondContact O-N 2.7Å; G351-N353 VanDerWaalsContact O-N 3.17Å; G351-D411 VanDerWaalsContact CA-OD2 3.26Å; G351-D411 WeakPolarHBondContact CA-OD2 3.4Å; G351-D411 VanDerWaalsContact N-CB 3.27Å; G351-D411 PolarHBondContact N-OD2 3.24Å
352F70.9Confident69.1Low1 Ų131 Ų310%0.00418%0.183CC..  trans-62.2113.4-176.7177.2-90.1000112.3F291 V320 D322 Q354 V381 D383 F413 N414F291-F352 AromaticContact CD1-CD2 3.51Å; F291-F352 HydrophobicContact CD1-CD2 3.51Å; F291-F352 AromaticContact CD1-CE2 3.94Å; F291-F352 HydrophobicContact CD1-CE2 3.94Å; F291-F352 HydrophobicContact CD1-CG 4.13Å; F291-F352 AromaticContact CE1-CD2 3.49Å; F291-F352 HydrophobicContact CE1-CD2 3.49Å; F291-F352 VanDerWaalsContact CE1-CD2 3.49Å; F291-F352 AromaticContact CE1-CE2 3.38Å; F291-F352 HydrophobicContact CE1-CE2 3.38Å; F291-F352 HydrophobicContact CE1-CG 4.34Å; F291-F352 HydrophobicContact CE1-CZ 4.16Å; F291-F352 HydrophobicContact CG-CD2 4.3Å; F291-F352 HydrophobicContact CZ-CD2 4.26Å; F291-F352 AromaticContact CZ-CE2 3.91Å; F291-F352 HydrophobicContact CZ-CE2 3.91Å; V320-F352 HydrophobicContact CG1-CE2 4.19Å; V320-F352 HydrophobicContact CG1-CZ 4.44Å; D322-F352 HydrophobicContact CB-CD2 3.71Å; D322-F352 HydrophobicContact CB-CE2 4.12Å; F352-Q354 HydrophobicContact CD1-CB 4.42Å; F352-Q354 HydrophobicContact CE1-CB 3.58Å; F352-Q354 HydrophobicContact CZ-CB 3.91Å; F352-V381 HydrophobicContact CE1-CG1 4.12Å; F352-V381 HydrophobicContact CE2-CG1 4.32Å; F352-V381 HydrophobicContact CZ-CG1 3.62Å; F352-D383 HydrophobicContact CB-CB 4.18Å; F352-D383 VanDerWaalsContact CB-CG 3.46Å; F352-D383 WeakPolarHBondContact CB-OD2 3.49Å; F352-D383 HydrophobicContact CD2-CB 4.35Å; F352-D383 HydrophobicContact CG-CB 4.25Å; F352-F413 HydrophobicContact CB-CD2 4.16Å; F352-F413 AromaticContact CD1-CD2 3.34Å; F352-F413 HydrophobicContact CD1-CD2 3.34Å; F352-F413 AromaticContact CD1-CE2 3.35Å; F352-F413 HydrophobicContact CD1-CE2 3.35Å; F352-F413 HydrophobicContact CD1-CG 4.12Å; F352-F413 HydrophobicContact CD1-CZ 4.14Å; F352-F413 AromaticContact CE1-CD2 3.91Å; F352-F413 HydrophobicContact CE1-CD2 3.91Å; F352-F413 AromaticContact CE1-CE2 3.38Å; F352-F413 HydrophobicContact CE1-CE2 3.38Å; F352-F413 AromaticContact CE1-CZ 3.9Å; F352-F413 HydrophobicContact CE1-CZ 3.9Å; F352-F413 AromaticContact CG-CD2 3.92Å; F352-F413 HydrophobicContact CG-CD2 3.92Å; F352-F413 HydrophobicContact CG-CE2 4.16Å; F352-F413 HydrophobicContact CZ-CE2 4.2Å; F352-N414 PolarHBondContact O-N 2.93Å
353N69.9Low69.6Low50 Ų5028.7 Ų28.727%0.26717%0.168SC..EExtended strand (participates in β ladder)trans-113.1108.3173.7-157.7-43.9000113.3F291 Q293 G351F291-N353 PolarHBondContact O-N 2.95Å; Q293-N353 PolarHBondContact N-O 2.67Å; G351-N353 PolarHBondContact O-N 2.7Å; G351-N353 VanDerWaalsContact O-N 3.17Å
354Q70.9Confident70.2Confident9 Ų930.7 Ų30.74%0.04218%0.183CC..EExtended strand (participates in β ladder)trans-112.597.9171.5-172.2178.869.500111.8Q293 F352 N414 S416Q293-Q354 WeakPolarHBondContact O-CA 3.28Å; F352-Q354 HydrophobicContact CD1-CB 4.42Å; F352-Q354 HydrophobicContact CE1-CB 3.58Å; F352-Q354 HydrophobicContact CZ-CB 3.91Å; Q354-N414 PolarHBondContact N-O 3Å; Q354-S416 PolarHBondContact O-N 3.14Å
355S58.3Low70.7Confident34 Ų3429 Ų2924%0.23817%0.173CC..EExtended strand (participates in β ladder)trans-116.9120.7-174.463.40000115.5Q293 K295 S416Q293-S355 PolarHBondContact O-N 3.36Å; K295-S355 PolarHBondContact N-O 3.44Å; S355-S416 WeakPolarHBondContact CA-OG 3.46Å; S355-S416 WeakPolarHBondContact CB-OG 2.86Å
356K57.4Low71.7Confident147 Ų14729.4 Ų29.464%0.63918%0.176SC*.  trans59.7109.2168.8-74.5-178.61791700120.8K295 S416K295-K356 VanDerWaalsContact CA-O 3.32Å; K295-K356 WeakPolarHBondContact CA-O 3.45Å; K356-S416 PolarHBondContact N-O 2.79Å
357S55.6Low72.5Confident30 Ų3027.6 Ų27.621%0.2117%0.165CC..  trans-173.3164.1143.151.90000112S296S296-S357 VanDerWaalsContact C-OG 3.29Å; S296-S357 WeakPolarHBondContact O-CB 3.32Å; S296-S357 PolarHBondContact O-OG 3.41Å
358S68Low73.2Confident32 Ų3227.7 Ų27.722%0.22417%0.166CC..EExtended strand (participates in β ladder)trans-82.2126.3172.158.50000110.6L298 S418 S419L298-S358 PolarHBondContact N-O 3.47Å; S358-S418 PolarHBondContact N-OG 3.34Å; S358-S419 WeakPolarHBondContact CA-O 3.29Å
359L74.3Confident73.7Confident6 Ų629.7 Ų29.73%0.03118%0.178CC..EExtended strand (participates in β ladder)trans-101.5113170.5171.556.3000108.6L298 V361 Y379 S419 L420 N421L298-L359 HydrophobicContact CB-CD1 3.8Å; L298-L359 HydrophobicContact CD2-CD1 3.58Å; L298-L359 HydrophobicContact CG-CD1 3.54Å; L298-L359 WeakPolarHBondContact O-CA 3.3Å; L359-V361 HydrophobicContact CD1-CG2 3.39Å; L359-V361 HydrophobicContact CD2-CG2 4.37Å; L359-V361 HydrophobicContact CG-CG2 3.8Å; L359-Y379 HydrophobicContact CD2-CD2 4.03Å; L359-Y379 HydrophobicContact CD2-CE2 3.47Å; L359-Y379 VanDerWaalsContact CD2-CE2 3.47Å; L359-S419 PolarHBondContact N-O 3.17Å; L359-S419 VanDerWaalsContact N-O 3.07Å; L359-L420 HydrophobicContact CB-CD1 3.76Å; L359-L420 HydrophobicContact CD2-CD1 3.53Å; L359-L420 HydrophobicContact CG-CD1 3.48Å; L359-L420 VanDerWaalsContact CG-CD1 3.48Å; L359-L420 WeakPolarHBondContact O-CA 3.39Å; L359-N421 PolarHBondContact O-N 3.1Å
360N82.5Confident74.3Confident51 Ų5129 Ų2927%0.27317%0.173SC..EExtended strand (participates in β ladder)trans-114.3114.9174.7-57.7-59.6000108.8L298 N299 V300 N421L298-N360 PolarHBondContact O-N 2.95Å; N299-N360 WeakPolarHBondContact CA-O 3.39Å; N299-N360 PolarHBondContact OD1-ND2 3.46Å; V300-N360 PolarHBondContact N-O 2.92Å; N360-N421 WeakPolarHBondContact CA-O 3.21Å; N360-N421 PolarHBondContact OD1-ND2 3.4Å
361V84.3Confident75.4Confident6 Ų629.9 Ų29.94%0.03618%0.182CC..EExtended strand (participates in β ladder)trans-120.8122.2179.9-170.50000109.6V300 F316 L359 V363 F377 N421 V422 A423V300-V361 HydrophobicContact CB-CG1 4.4Å; V300-V361 WeakPolarHBondContact O-CA 3.42Å; F316-V361 HydrophobicContact CD2-CG1 4.44Å; F316-V361 HydrophobicContact CE1-CG1 3.91Å; F316-V361 HydrophobicContact CE2-CG1 3.77Å; F316-V361 HydrophobicContact CZ-CG1 3.48Å; F316-V361 VanDerWaalsContact CZ-CG1 3.48Å; F316-V361 HydrophobicContact CZ-CG2 4.34Å; L359-V361 HydrophobicContact CD1-CG2 3.39Å; L359-V361 HydrophobicContact CD2-CG2 4.37Å; L359-V361 HydrophobicContact CG-CG2 3.8Å; V361-V363 HydrophobicContact CG1-CG2 3.92Å; V361-F377 HydrophobicContact CB-CE2 4.32Å; V361-F377 HydrophobicContact CG1-CE2 3.67Å; V361-F377 HydrophobicContact CG1-CZ 4.3Å; V361-N421 PolarHBondContact N-O 3.15Å; V361-V422 HydrophobicContact CB-CG1 4.44Å; V361-V422 WeakPolarHBondContact O-CA 2.79Å; V361-A423 PolarHBondContact O-N 2.93Å
362A87.9Confident76.5Confident49 Ų4931.3 Ų31.341%0.40519%0.189SC..EExtended strand (participates in β ladder)trans-120.4114.617500000109.3V300 A301 V302 A423V300-A362 PolarHBondContact O-N 3.04Å; A301-A362 WeakPolarHBondContact CA-O 3.27Å; V302-A362 PolarHBondContact N-O 3.12Å; A362-A423 WeakPolarHBondContact CA-O 3.48Å
363V89.3Confident77.4Confident1 Ų131.3 Ų31.31%0.00619%0.189CC..EExtended strand (participates in β ladder)trans-117.9124.1177.7-174.10000108.9Q314 F316 V361 F377 A423 V424 S425Q314-V363 VanDerWaalsContact OE1-CG1 3.23Å; F316-V363 HydrophobicContact CB-CG2 4.15Å; F316-V363 HydrophobicContact CD2-CG2 3.81Å; F316-V363 HydrophobicContact CE2-CG2 4.41Å; F316-V363 HydrophobicContact CG-CG2 3.94Å; V361-V363 HydrophobicContact CG1-CG2 3.92Å; V363-F377 HydrophobicContact CG2-CD2 3.95Å; V363-F377 HydrophobicContact CG2-CE2 4.15Å; V363-A423 PolarHBondContact N-O 3.17Å; V363-V424 WeakPolarHBondContact O-CA 3.34Å; V363-S425 PolarHBondContact O-N 2.93Å; V363-S425 PolarHBondContact O-OG 2.91Å
364S89.6Confident78.3Confident47 Ų4731.1 Ų31.133%0.32919%0.188SC..EExtended strand (participates in β ladder)trans-131.2136179.761.40000111.4V302 S303 A304 Q314 S425V302-S364 PolarHBondContact O-N 3.24Å; V302-S364 PolarHBondContact O-OG 3.31Å; S303-S364 WeakPolarHBondContact CA-O 3.26Å; A304-S364 PolarHBondContact N-O 2.98Å; A304-S364 VanDerWaalsContact N-O 3.11Å; Q314-S364 PolarHBondContact NE2-O 3.46Å; S364-S425 WeakPolarHBondContact CA-O 3.48Å
365A87.4Confident79.2Confident7 Ų731 Ų316%0.05819%0.188CC..EExtended strand (participates in β ladder)trans-140.8139.7176.300000112A304 F312 Q314 F373 S425 A426 S427A304-A365 WeakPolarHBondContact O-CA 3.49Å; F312-A365 HydrophobicContact CE1-CB 3.37Å; F312-A365 HydrophobicContact CZ-CB 3.39Å; Q314-A365 HydrophobicContact CB-CB 4.5Å; Q314-A365 VanDerWaalsContact OE1-CB 3.23Å; A365-F373 HydrophobicContact CB-CE2 3.83Å; A365-F373 HydrophobicContact CB-CZ 3.51Å; A365-S425 PolarHBondContact N-O 2.94Å; A365-S425 VanDerWaalsContact N-O 3.08Å; A365-A426 WeakPolarHBondContact O-CA 3.25Å; A365-S427 PolarHBondContact O-N 2.93Å
366S85.7Confident80.6Confident13 Ų1330.8 Ų30.89%0.09119%0.19CC..EExtended strand (participates in β ladder)trans-140.3124.5179.1-170.80000111.8A304 S305 N306 P368 S427A304-S366 PolarHBondContact O-N 2.82Å; A304-S366 VanDerWaalsContact O-N 3.1Å; S305-S366 WeakPolarHBondContact CA-O 3.11Å; N306-S366 PolarHBondContact N-O 3.28Å; S366-P368 WeakPolarHBondContact OG-CD 3.4Å; S366-S427 WeakPolarHBondContact CA-O 3.48Å
367N85Confident82.2Confident0 Ų023.9 Ų23.90%016%0.16CC..  trans-12978.5169.1-172.20.6000110.4N306 G309 F312 V369 G370 F373 S427 N428N306-N367 WeakPolarHBondContact O-CA 2.96Å; N306-N367 PolarHBondContact O-OD1 3.25Å; G309-N367 PolarHBondContact O-ND2 3.19Å; G309-N367 VanDerWaalsContact O-ND2 3.12Å; G309-N367 PolarHBondContact O-OD1 3.42Å; F312-N367 HydrophobicContact CB-CB 3.92Å; F312-N367 VanDerWaalsContact CB-ND2 3.33Å; F312-N367 WeakPolarHBondContact CB-ND2 3.15Å; F312-N367 HydrophobicContact CD2-CB 4.19Å; F312-N367 HydrophobicContact CG-CB 4.1Å; N367-V369 VanDerWaalsContact C-N 3.27Å; N367-V369 PolarHBondContact O-N 3.03Å; N367-V369 VanDerWaalsContact O-N 3.16Å; N367-G370 WeakPolarHBondContact ND2-CA 3.38Å; N367-G370 PolarHBondContact OD1-N 2.84Å; N367-F373 HydrophobicContact CB-CD2 3.74Å; N367-F373 HydrophobicContact CB-CE2 4.33Å; N367-S427 PolarHBondContact N-O 3.22Å; N367-N428 WeakPolarHBondContact O-CA 3.15Å; N367-N428 PolarHBondContact O-OD1 2.91Å
368P79.1Confident83.8Confident5 Ų525.2 Ų25.23%0.03217%0.167CC..THydrogen-bonded Turntrans-45.7-38.1-179.3-32.233.2000117.2S366 V430 C1522S366-P368 WeakPolarHBondContact OG-CD 3.4Å; P368-V430 WeakPolarHBondContact O-CB 3.44Å; P368-V430 PolarHBondContact O-N 2.88Å; P368-V430 VanDerWaalsContact O-N 3.12Å; P368-C1522 HydrophobicContact CB-CB 4.26Å
369V72.9Confident84.7Confident81 Ų8123.8 Ų23.849%0.49116%0.157SC..THydrogen-bonded Turntrans-135.849.3-168.8-160.20000112.2P307 N367P307-V369 WeakPolarHBondContact O-CG2 3.41Å; P307-V369 PolarHBondContact O-N 3.01Å; N367-V369 VanDerWaalsContact C-N 3.27Å; N367-V369 PolarHBondContact O-N 3.03Å; N367-V369 VanDerWaalsContact O-N 3.16Å
370G71.1Confident85.2Confident1 Ų124.4 Ų24.41%0.0117%0.165CC..  trans-125.7136.7-173.400000116.4G309 N367 T372 N428 V430 G431G309-G370 WeakPolarHBondContact O-CA 3.34Å; N367-G370 WeakPolarHBondContact ND2-CA 3.38Å; N367-G370 PolarHBondContact OD1-N 2.84Å; G370-T372 VanDerWaalsContact C-N 3.35Å; G370-T372 PolarHBondContact O-N 2.85Å; G370-N428 PolarHBondContact O-ND2 3.01Å; G370-N428 PolarHBondContact O-OD1 2.96Å; G370-V430 PolarHBondContact N-O 2.9Å; G370-G431 WeakPolarHBondContact O-CA 3.48Å
371S81.4Confident85.2Confident49 Ų4922 Ų2234%0.34315%0.152SC..SBendtrans-59.5-39.3-179.239.50000113.8S310 S432 T433S310-S371 WeakPolarHBondContact CA-OG 3.45Å; S310-S371 WeakPolarHBondContact CB-OG 3.4Å; S310-S371 PolarHBondContact O-N 2.95Å; S310-S371 VanDerWaalsContact O-N 3.11Å; S310-S371 PolarHBondContact O-OG 3.25Å; S371-S432 WeakPolarHBondContact CA-OG 3.45Å; S371-S432 WeakPolarHBondContact CB-OG 3.25Å; S371-S432 PolarHBondContact O-N 3.16Å; S371-S432 VanDerWaalsContact O-N 3.12Å; S371-S432 PolarHBondContact O-OG 3.27Å; S371-T433 PolarHBondContact O-N 2.68Å
372T84.8Confident85.2Confident39 Ų3923.9 Ų23.924%0.23916%0.163CC..EExtended strand (participates in β ladder)trans-132.4128.4-174.7-52.40000111S310 F312 G370 T433S310-T372 PolarHBondContact O-N 3.38Å; F312-T372 PolarHBondContact N-O 3.31Å; G370-T372 VanDerWaalsContact C-N 3.35Å; G370-T372 PolarHBondContact O-N 2.85Å; T372-T433 WeakPolarHBondContact CA-O 3.44Å
373F89.6Confident84.7Confident0 Ų021.9 Ų21.90%015%0.146CC..EExtended strand (participates in β ladder)trans-126.9124.8175.8-179.1-78.5000110.6F312 A365 N367 Q375 A426 N428 T433 F434 N435F312-F373 HydrophobicContact CB-CD2 4.22Å; F312-F373 AromaticContact CD1-CD2 3.55Å; F312-F373 HydrophobicContact CD1-CD2 3.55Å; F312-F373 AromaticContact CD1-CE2 3.48Å; F312-F373 HydrophobicContact CD1-CE2 3.48Å; F312-F373 VanDerWaalsContact CD1-CE2 3.48Å; F312-F373 HydrophobicContact CD1-CG 4.29Å; F312-F373 HydrophobicContact CD1-CZ 4.14Å; F312-F373 HydrophobicContact CE1-CD2 4.16Å; F312-F373 AromaticContact CE1-CE2 3.58Å; F312-F373 HydrophobicContact CE1-CE2 3.58Å; F312-F373 AromaticContact CE1-CZ 3.99Å; F312-F373 HydrophobicContact CE1-CZ 3.99Å; F312-F373 HydrophobicContact CG-CD2 4.01Å; F312-F373 HydrophobicContact CG-CE2 4.19Å; F312-F373 HydrophobicContact CZ-CE2 4.31Å; A365-F373 HydrophobicContact CB-CE2 3.83Å; A365-F373 HydrophobicContact CB-CZ 3.51Å; N367-F373 HydrophobicContact CB-CD2 3.74Å; N367-F373 HydrophobicContact CB-CE2 4.33Å; F373-Q375 HydrophobicContact CE1-CB 3.66Å; F373-Q375 HydrophobicContact CZ-CB 4.15Å; F373-A426 HydrophobicContact CE1-CB 3.39Å; F373-A426 HydrophobicContact CZ-CB 3.38Å; F373-N428 HydrophobicContact CB-CB 3.96Å; F373-N428 WeakPolarHBondContact CB-ND2 3.43Å; F373-N428 HydrophobicContact CD2-CB 4.21Å; F373-N428 HydrophobicContact CG-CB 4.14Å; F373-T433 PolarHBondContact N-O 3.03Å; F373-F434 HydrophobicContact CB-CD2 4.09Å; F373-F434 AromaticContact CD1-CD2 3.48Å; F373-F434 HydrophobicContact CD1-CD2 3.48Å; F373-F434 VanDerWaalsContact CD1-CD2 3.48Å; F373-F434 AromaticContact CD1-CE2 3.41Å; F373-F434 HydrophobicContact CD1-CE2 3.41Å; F373-F434 VanDerWaalsContact CD1-CE2 3.41Å; F373-F434 HydrophobicContact CD1-CG 4.25Å; F373-F434 HydrophobicContact CD1-CZ 4.09Å; F373-F434 HydrophobicContact CE1-CD2 4.12Å; F373-F434 AromaticContact CE1-CE2 3.54Å; F373-F434 HydrophobicContact CE1-CE2 3.54Å; F373-F434 AromaticContact CE1-CZ 3.96Å; F373-F434 HydrophobicContact CE1-CZ 3.96Å; F373-F434 AromaticContact CG-CD2 3.89Å; F373-F434 HydrophobicContact CG-CD2 3.89Å; F373-F434 HydrophobicContact CG-CE2 4.07Å; F373-F434 HydrophobicContact CZ-CE2 4.24Å; F373-N435 PolarHBondContact O-N 3.21Å
374N89.6Confident84Confident47 Ų4724.2 Ų24.225%0.25116%0.16SC..EExtended strand (participates in β ladder)trans-127.4124.9174.6-56.8-55.2000110.1F312 N313 Q314 N435F312-N374 PolarHBondContact O-N 3.48Å; N313-N374 WeakPolarHBondContact CA-O 3.4Å; N313-N374 WeakPolarHBondContact OD1-CB 3.43Å; N313-N374 PolarHBondContact OD1-ND2 3.12Å; Q314-N374 PolarHBondContact N-O 2.81Å; N374-N435 WeakPolarHBondContact CA-O 3.09Å; N374-N435 WeakPolarHBondContact OD1-CB 3.32Å; N374-N435 PolarHBondContact OD1-ND2 3.25Å
375Q89.7Confident82.8Confident7 Ų722.8 Ų22.83%0.03315%0.151CC..EExtended strand (participates in β ladder)trans-127.6127.3170.1-178.6-174.965.100110Q314 F373 S425 A426 N435 Q436 G437Q314-Q375 CarbonylContact O-C 3.57Å; Q314-Q375 VanDerWaalsContact O-CA 3.31Å; Q314-Q375 WeakPolarHBondContact O-CA 3.46Å; F373-Q375 HydrophobicContact CE1-CB 3.66Å; F373-Q375 HydrophobicContact CZ-CB 4.15Å; Q375-S425 PolarHBondContact NE2-O 2.91Å; Q375-A426 VanDerWaalsContact OE1-CB 3.27Å; Q375-N435 PolarHBondContact N-O 2.99Å; Q375-Q436 CarbonylContact O-C 3.6Å; Q375-Q436 VanDerWaalsContact O-CA 3.32Å; Q375-Q436 WeakPolarHBondContact O-CA 3.06Å; Q375-G437 PolarHBondContact O-N 3.33Å
376G86.9Confident81.6Confident28 Ų2822.5 Ų22.529%0.28915%0.149SC..EExtended strand (participates in β ladder)trans-120.1135.7174.100000111.7Q314 F316Q314-G376 PolarHBondContact O-N 3.23Å; F316-G376 PolarHBondContact N-O 3.49Å
377F90.7Very high81Confident2 Ų225.6 Ų25.61%0.00916%0.164CC..EExtended strand (participates in β ladder)trans-125.2122.6169.7-178.3-81.4000109.4F316 V361 V363 V422 V424 G437 F438 T439F316-F377 HydrophobicContact CB-CD2 4.07Å; F316-F377 AromaticContact CD1-CD2 3.44Å; F316-F377 HydrophobicContact CD1-CD2 3.44Å; F316-F377 VanDerWaalsContact CD1-CD2 3.44Å; F316-F377 AromaticContact CD1-CE2 3.25Å; F316-F377 HydrophobicContact CD1-CE2 3.25Å; F316-F377 HydrophobicContact CD1-CG 4.27Å; F316-F377 AromaticContact CD1-CZ 3.96Å; F316-F377 HydrophobicContact CD1-CZ 3.96Å; F316-F377 HydrophobicContact CE1-CD2 4.16Å; F316-F377 AromaticContact CE1-CE2 3.48Å; F316-F377 HydrophobicContact CE1-CE2 3.48Å; F316-F377 VanDerWaalsContact CE1-CE2 3.48Å; F316-F377 AromaticContact CE1-CZ 3.89Å; F316-F377 HydrophobicContact CE1-CZ 3.89Å; F316-F377 AromaticContact CG-CD2 3.9Å; F316-F377 HydrophobicContact CG-CD2 3.9Å; F316-F377 AromaticContact CG-CE2 4Å; F316-F377 HydrophobicContact CG-CE2 4Å; F316-F377 HydrophobicContact CZ-CE2 4.35Å; F316-F377 WeakPolarHBondContact O-CA 3.32Å; V361-F377 HydrophobicContact CB-CE2 4.32Å; V361-F377 HydrophobicContact CG1-CE2 3.67Å; V361-F377 HydrophobicContact CG1-CZ 4.3Å; V363-F377 HydrophobicContact CG2-CD2 3.95Å; V363-F377 HydrophobicContact CG2-CE2 4.15Å; F377-V422 HydrophobicContact CD2-CG1 4.46Å; F377-V422 HydrophobicContact CE1-CG1 3.89Å; F377-V422 HydrophobicContact CE2-CG1 3.75Å; F377-V422 HydrophobicContact CZ-CG1 3.44Å; F377-V422 VanDerWaalsContact CZ-CG1 3.44Å; F377-V422 HydrophobicContact CZ-CG2 4.36Å; F377-V424 HydrophobicContact CB-CG2 4.19Å; F377-V424 HydrophobicContact CD2-CG2 3.76Å; F377-V424 HydrophobicContact CE2-CG2 4.32Å; F377-V424 HydrophobicContact CG-CG2 3.95Å; F377-G437 PolarHBondContact N-O 3.4Å; F377-F438 HydrophobicContact CB-CD2 4.01Å; F377-F438 AromaticContact CD1-CD2 3.45Å; F377-F438 HydrophobicContact CD1-CD2 3.45Å; F377-F438 VanDerWaalsContact CD1-CD2 3.45Å; F377-F438 AromaticContact CD1-CE2 3.24Å; F377-F438 HydrophobicContact CD1-CE2 3.24Å; F377-F438 HydrophobicContact CD1-CG 4.25Å; F377-F438 AromaticContact CD1-CZ 3.89Å; F377-F438 HydrophobicContact CD1-CZ 3.89Å; F377-F438 HydrophobicContact CE1-CD2 4.18Å; F377-F438 AromaticContact CE1-CE2 3.48Å; F377-F438 HydrophobicContact CE1-CE2 3.48Å; F377-F438 VanDerWaalsContact CE1-CE2 3.48Å; F377-F438 AromaticContact CE1-CZ 3.82Å; F377-F438 HydrophobicContact CE1-CZ 3.82Å; F377-F438 AromaticContact CG-CD2 3.86Å; F377-F438 HydrophobicContact CG-CD2 3.86Å; F377-F438 AromaticContact CG-CE2 3.92Å; F377-F438 HydrophobicContact CG-CE2 3.92Å; F377-F438 HydrophobicContact CZ-CE2 4.31Å; F377-F438 CarbonylContact O-C 3.58Å; F377-F438 WeakPolarHBondContact O-CA 3.17Å; F377-T439 PolarHBondContact O-N 3.17Å
378T89.7Confident80.4Confident58 Ų5825.7 Ų25.736%0.35617%0.165SC..EExtended strand (participates in β ladder)trans-127126.9175.6-56.10000109.9F316 T317 Y318 T439F316-T378 PolarHBondContact O-N 3.43Å; T317-T378 WeakPolarHBondContact CA-O 3.32Å; Y318-T378 PolarHBondContact N-O 3.13Å; T378-T439 WeakPolarHBondContact CA-O 3.47Å
379Y86.2Confident80.5Confident3 Ų327 Ų271%0.01217%0.174CC..EExtended strand (participates in β ladder)trans-116.9119.7165.6177-78.9000107.6Y318 L359 V381 K417 T439 Y440 G441 V442Y318-Y379 AromaticContact CD1-CD2 3.37Å; Y318-Y379 HydrophobicContact CD1-CD2 3.37Å; Y318-Y379 AromaticContact CD1-CE2 3.29Å; Y318-Y379 HydrophobicContact CD1-CE2 3.29Å; Y318-Y379 HydrophobicContact CD1-CG 4.19Å; Y318-Y379 AromaticContact CE1-CD2 3.97Å; Y318-Y379 HydrophobicContact CE1-CD2 3.97Å; Y318-Y379 AromaticContact CE1-CE2 3.36Å; Y318-Y379 HydrophobicContact CE1-CE2 3.36Å; Y318-Y379 AromaticContact CE1-CZ 3.87Å; Y318-Y379 AromaticContact CG-CD2 3.94Å; Y318-Y379 HydrophobicContact CG-CD2 3.94Å; Y318-Y379 HydrophobicContact CG-CE2 4.14Å; Y318-Y379 WeakPolarHBondContact O-CA 3.46Å; L359-Y379 HydrophobicContact CD2-CD2 4.03Å; L359-Y379 HydrophobicContact CD2-CE2 3.47Å; L359-Y379 VanDerWaalsContact CD2-CE2 3.47Å; Y379-V381 HydrophobicContact CE1-CG2 3.8Å; Y379-V381 WeakPolarHBondContact OH-CG2 3.34Å; Y379-K417 PolarHBondContact OH-NZ 3.28Å; Y379-T439 PolarHBondContact N-O 2.8Å; Y379-Y440 AromaticContact CD1-CD2 3.41Å; Y379-Y440 HydrophobicContact CD1-CD2 3.41Å; Y379-Y440 VanDerWaalsContact CD1-CD2 3.41Å; Y379-Y440 AromaticContact CD1-CE2 3.21Å; Y379-Y440 HydrophobicContact CD1-CE2 3.21Å; Y379-Y440 HydrophobicContact CD1-CG 4.19Å; Y379-Y440 AromaticContact CD1-CZ 3.83Å; Y379-Y440 HydrophobicContact CE1-CD2 4.06Å; Y379-Y440 AromaticContact CE1-CE2 3.34Å; Y379-Y440 HydrophobicContact CE1-CE2 3.34Å; Y379-Y440 AromaticContact CE1-CZ 3.67Å; Y379-Y440 AromaticContact CG-CD2 3.86Å; Y379-Y440 HydrophobicContact CG-CD2 3.86Å; Y379-Y440 AromaticContact CG-CE2 3.92Å; Y379-Y440 HydrophobicContact CG-CE2 3.92Å; Y379-Y440 WeakPolarHBondContact O-CA 3.44Å; Y379-G441 PolarHBondContact O-N 3.41Å; Y379-V442 HydrophobicContact CE1-CG2 4.43Å
380G86Confident80.7Confident19 Ų1923.2 Ų23.220%0.19615%0.151CC..EExtended strand (participates in β ladder)trans-129.7135.2177.700000110.8Y318 G319 V320 G441Y318-G380 PolarHBondContact O-N 2.91Å; G319-G380 WeakPolarHBondContact CA-O 3.37Å; V320-G380 PolarHBondContact N-O 2.69Å; V320-G380 VanDerWaalsContact N-O 3.13Å; G380-G441 WeakPolarHBondContact CA-O 3.44Å
381V82.9Confident81.3Confident0 Ų025.7 Ų25.70%016%0.164CC..EExtended strand (participates in β ladder)trans-127.6126.2161.4178.30000105.8V320 F352 Y379 F413 G441 V442 T443V320-V381 HydrophobicContact CB-CG2 4.43Å; V320-V381 WeakPolarHBondContact O-CA 3.45Å; F352-V381 HydrophobicContact CE1-CG1 4.12Å; F352-V381 HydrophobicContact CE2-CG1 4.32Å; F352-V381 HydrophobicContact CZ-CG1 3.62Å; Y379-V381 HydrophobicContact CE1-CG2 3.8Å; Y379-V381 WeakPolarHBondContact OH-CG2 3.34Å; V381-F413 HydrophobicContact CG1-CE2 4.06Å; V381-F413 HydrophobicContact CG1-CZ 4.33Å; V381-G441 PolarHBondContact N-O 3.44Å; V381-G441 VanDerWaalsContact N-O 3.14Å; V381-V442 HydrophobicContact CB-CG1 4.46Å; V381-V442 HydrophobicContact CB-CG2 4.39Å; V381-V442 CarbonylContact O-C 3.53Å; V381-V442 VanDerWaalsContact O-CA 3.3Å; V381-V442 WeakPolarHBondContact O-CA 3.36Å; V381-T443 PolarHBondContact O-N 2.89Å
382T83.3Confident81.2Confident46 Ų4623.7 Ų23.728%0.28215%0.15SC..EExtended strand (participates in β ladder)trans-126121.9178.1-60.60000106.8V320 T321 D322 T384 T443V320-T382 PolarHBondContact O-N 3.4Å; T321-T382 WeakPolarHBondContact CA-O 3.37Å; D322-T382 PolarHBondContact N-O 3.09Å; T382-T384 WeakPolarHBondContact CG2-OG1 3.28Å; T382-T443 WeakPolarHBondContact CA-O 3.44Å
383D78.8Confident81.3Confident7 Ų724.8 Ų24.84%0.03716%0.157CC..  trans-105.5136.6162-173.414.1000107F352 F413 T443 T445F352-D383 HydrophobicContact CB-CB 4.18Å; F352-D383 VanDerWaalsContact CB-CG 3.46Å; F352-D383 WeakPolarHBondContact CB-OD2 3.49Å; F352-D383 HydrophobicContact CD2-CB 4.35Å; F352-D383 HydrophobicContact CG-CB 4.25Å; D383-F413 HydrophobicContact CB-CD2 3.7Å; D383-F413 HydrophobicContact CB-CE2 4.18Å; D383-T443 PolarHBondContact N-O 3.28Å; D383-T445 PolarHBondContact O-N 3.12Å
384T74Confident81Confident49 Ų4925.1 Ų25.130%0.30116%0.159SC..  trans-140.299.9178-56.60000105.6D322 A324 T382D322-T384 PolarHBondContact O-N 3.14Å; A324-T384 WeakPolarHBondContact CB-O 3.35Å; A324-T384 PolarHBondContact N-O 3.11Å; T382-T384 WeakPolarHBondContact CG2-OG1 3.28Å
385A64.9Low80.8Confident17 Ų1725.5 Ų25.514%0.1416%0.163CC..PPolyproline II helixtrans-71.9164.1177.500000110.2T445 P447A385-T445 WeakPolarHBondContact CB-O 3.38Å; A385-T445 PolarHBondContact N-O 3.33Å; A385-P447 HydrophobicContact CB-CB 3.87Å; A385-P447 HydrophobicContact CB-CG 3.71Å
386P62.2Low80.2Confident2 Ų225.2 Ų25.21%0.01316%0.162CC..PPolyproline II helixtrans-101.9136.7-167.732.6-23.3000116A324 P325 T349 V388 P447A324-P386 HydrophobicContact CB-CB 3.94Å; A324-P386 HydrophobicContact CB-CG 3.57Å; P325-P386 WeakPolarHBondContact O-CB 3.07Å; P325-P386 WeakPolarHBondContact O-CG 2.9Å; T349-P386 HydrophobicContact CG2-CG 3.86Å; P386-V388 WeakPolarHBondContact O-CG2 3.43Å; P386-V388 PolarHBondContact O-N 3.04Å; P386-P447 WeakPolarHBondContact O-CB 3.16Å
387D72.7Confident79.6Confident78 Ų7825.8 Ų25.842%0.41716%0.161SC..PPolyproline II helixtrans-58.9127.5178.7-73.1-10.9000111.1D326 V327 D448D326-D387 PolarHBondContact OD1-N 2.98Å; V327-D387 PolarHBondContact N-O 2.94Å; D387-D448 PolarHBondContact OD1-N 2.96Å; D387-D448 VanDerWaalsContact OD1-N 3.14Å
388V72.8Confident78.6Confident2 Ų228.4 Ų28.41%0.01218%0.183CC..EExtended strand (participates in β ladder)trans-106.1112-178.9-174.60000109.3V327 T349 P386 T390 T408 T410 D448 V449 S450V327-V388 HydrophobicContact CB-CG1 4.46Å; V327-V388 HydrophobicContact CB-CG2 4.49Å; T349-V388 HydrophobicContact CG2-CG2 4.24Å; P386-V388 WeakPolarHBondContact O-CG2 3.43Å; P386-V388 PolarHBondContact O-N 3.04Å; V388-T390 HydrophobicContact CG1-CG2 4.23Å; V388-T408 HydrophobicContact CB-CG2 4.38Å; V388-T408 HydrophobicContact CG1-CG2 3.77Å; V388-T410 HydrophobicContact CG2-CG2 4.38Å; V388-D448 PolarHBondContact N-O 2.93Å; V388-V449 HydrophobicContact CB-CG2 4.32Å; V388-V449 WeakPolarHBondContact O-CA 3.4Å; V388-S450 PolarHBondContact O-N 3.5Å
389S80.5Confident77.6Confident33 Ų3325.8 Ų25.823%0.23117%0.167CC..EExtended strand (participates in β ladder)trans-112.8122.6174.265.60000112V327 S328 T329 S450V327-S389 PolarHBondContact O-N 2.9Å; S328-S389 WeakPolarHBondContact CA-O 3.45Å; S328-S389 WeakPolarHBondContact CA-OG 3.49Å; S328-S389 WeakPolarHBondContact CB-OG 3.4Å; T329-S389 PolarHBondContact N-O 3.43Å; S389-S450 WeakPolarHBondContact CA-O 3.43Å; S389-S450 WeakPolarHBondContact CA-OG 3.47Å; S389-S450 WeakPolarHBondContact CB-OG 3.46Å
390T77.6Confident76.8Confident1 Ų128.4 Ų28.41%0.00618%0.183CC..EExtended strand (participates in β ladder)trans-120.7110.3175.368.80000109.8T329 T347 V388 S450 T451 N452T329-T390 WeakPolarHBondContact OG1-CA 3.47Å; T329-T390 WeakPolarHBondContact OG1-CB 3.33Å; T329-T390 VanDerWaalsContact OG1-CG2 3.3Å; T329-T390 WeakPolarHBondContact OG1-CG2 3.45Å; T347-T390 HydrophobicContact CG2-CG2 4.09Å; V388-T390 HydrophobicContact CG1-CG2 4.23Å; T390-S450 PolarHBondContact N-O 3.22Å; T390-S450 PolarHBondContact OG1-O 3.26Å; T390-T451 WeakPolarHBondContact OG1-CA 3.11Å; T390-T451 WeakPolarHBondContact OG1-CG2 3.29Å; T390-T451 PolarHBondContact OG1-OG1 2.88Å; T390-N452 PolarHBondContact O-N 3.04Å
391N82.6Confident76.4Confident52 Ų5230.3 Ų30.328%0.27819%0.189SC..EExtended strand (participates in β ladder)trans-116.1114180-58.7-57000110.3T329 N330 S331 N452T329-N391 PolarHBondContact O-N 3.21Å; N330-N391 CarbonylContact C-O 3.6Å; N330-N391 WeakPolarHBondContact CA-O 3.4Å; N330-N391 WeakPolarHBondContact OD1-CB 3.44Å; N330-N391 PolarHBondContact OD1-ND2 2.84Å; S331-N391 PolarHBondContact N-O 3.09Å; N391-N452 CarbonylContact C-O 3.6Å; N391-N452 WeakPolarHBondContact CA-O 3.45Å; N391-N452 WeakPolarHBondContact OD1-CB 3.43Å; N391-N452 PolarHBondContact OD1-ND2 2.91Å
392S80.6Confident76.2Confident8 Ų830.4 Ų30.46%0.05619%0.19CC..EExtended strand (participates in β ladder)trans-121.8121.9-179.1-67.80000111.6S331 N452 S453 T454S331-S392 CarbonylContact O-C 3.56Å; S331-S392 WeakPolarHBondContact O-CA 3.41Å; S392-N452 PolarHBondContact N-O 3.21Å; S392-S453 CarbonylContact O-C 3.52Å; S392-S453 WeakPolarHBondContact O-CA 3.42Å; S392-T454 PolarHBondContact O-N 3.3Å
393T86.4Confident76Confident61 Ų6130.9 Ų30.937%0.37419%0.192SC..EExtended strand (participates in β ladder)trans-113.4111.5170.5-59.40000109.4S331 T332 I333 T454S331-T393 PolarHBondContact O-N 2.9Å; T332-T393 CarbonylContact C-O 3.53Å; T332-T393 WeakPolarHBondContact CA-O 3.31Å; I333-T393 PolarHBondContact N-O 3.48Å; T393-T454 CarbonylContact C-O 3.5Å; T393-T454 WeakPolarHBondContact CA-O 3.35Å
394I82.9Confident75.8Confident7 Ų730.8 Ų30.84%0.03619%0.192CC..EExtended strand (participates in β ladder)trans-117.8121.6-176.3-54.9175.9000109.6I333 F341 T343 F402 T404 T454 I455 T456I333-I394 HydrophobicContact CB-CG1 4.39Å; I333-I394 HydrophobicContact CD1-CG1 4.4Å; I333-I394 CarbonylContact O-C 3.54Å; I333-I394 WeakPolarHBondContact O-CA 3.34Å; F341-I394 HydrophobicContact CE1-CG2 3.84Å; F341-I394 HydrophobicContact CE2-CG2 4.33Å; F341-I394 HydrophobicContact CZ-CG2 3.5Å; F341-I394 VanDerWaalsContact CZ-CG2 3.5Å; T343-I394 HydrophobicContact CG2-CD1 4.32Å; I394-F402 HydrophobicContact CG2-CE2 4Å; I394-F402 HydrophobicContact CG2-CZ 3.88Å; I394-T404 HydrophobicContact CD1-CG2 3.82Å; I394-T454 PolarHBondContact N-O 2.85Å; I394-I455 HydrophobicContact CB-CG1 4.45Å; I394-I455 CarbonylContact O-C 3.46Å; I394-I455 WeakPolarHBondContact O-CA 3.43Å; I394-T456 PolarHBondContact O-N 2.9Å
395T84.4Confident75.9Confident56 Ų5630.5 Ų30.534%0.34419%0.19SC..EExtended strand (participates in β ladder)trans-119.3118.5173.3-57.70000109.9I333 T334 A335 T456I333-T395 PolarHBondContact O-N 2.87Å; T334-T395 CarbonylContact C-O 3.58Å; T334-T395 WeakPolarHBondContact CA-O 3.45Å; A335-T395 PolarHBondContact N-O 2.88Å; T395-T456 CarbonylContact C-O 3.59Å; T395-T456 WeakPolarHBondContact CA-O 3.44Å
396A78.2Confident76Confident1 Ų130.1 Ų30.11%0.00819%0.187CC..EExtended strand (participates in β ladder)trans-126.7128.3178.900000111.8A335 F402 T456 A457 S458A335-A396 VanDerWaalsContact O-CA 3.32Å; A335-A396 WeakPolarHBondContact O-CA 3.44Å; A396-F402 HydrophobicContact CB-CD2 4.04Å; A396-F402 HydrophobicContact CB-CE2 3.84Å; A396-T456 PolarHBondContact N-O 2.88Å; A396-A457 VanDerWaalsContact O-CA 3.28Å; A396-A457 WeakPolarHBondContact O-CA 3.39Å; A396-S458 PolarHBondContact O-N 3.26Å; A396-S458 VanDerWaalsContact O-N 3.07Å
397S74.2Confident76.3Confident40 Ų4031.7 Ų31.728%0.2820%0.196SC..EExtended strand (participates in β ladder)trans-119.9137177.756.60000112.5A335 S336 A337A335-S397 PolarHBondContact O-N 2.87Å; S336-S397 WeakPolarHBondContact CA-OG 3.44Å; A337-S397 WeakPolarHBondContact CA-O 3.31Å; A337-S397 PolarHBondContact N-O 3.41Å
398A68.8Low76Confident57 Ų5728 Ų2847%0.47118%0.176SC..EExtended strand (participates in β ladder)trans57.265.4-179.500000113.4T338 S458T338-A398 PolarHBondContact N-O 3.31Å; A398-S458 PolarHBondContact N-O 3.36Å
399T68.7Low75.5Confident2 Ų230.1 Ų30.11%0.01219%0.189CC..EExtended strand (participates in β ladder)trans-117.6127-173.7-51.70000114.9T338 F341 N401 F402 A459 T460T338-T399 WeakPolarHBondContact O-CA 3.47Å; T338-T399 WeakPolarHBondContact O-CB 3.44Å; T338-T399 WeakPolarHBondContact O-CG2 3.42Å; F341-T399 HydrophobicContact CB-CG2 4.05Å; T399-N401 VanDerWaalsContact CG2-O 3.28Å; T399-N401 WeakPolarHBondContact CG2-O 3.46Å; T399-F402 HydrophobicContact CG2-CB 4.48Å; T399-A459 PolarHBondContact N-O 3.15Å; T399-T460 WeakPolarHBondContact O-CA 3.36Å; T399-T460 WeakPolarHBondContact O-CB 3.26Å; T399-T460 WeakPolarHBondContact O-CG2 3.47Å
400T69.8Low74.7Confident58 Ų5829 Ų2936%0.35618%0.181SC..EExtended strand (participates in β ladder)trans-74-44.3179.749.10000113.2T338 T339 T461 N462T338-T400 PolarHBondContact O-N 2.93Å; T339-T400 VanDerWaalsContact C-OG1 3.28Å; T339-T400 WeakPolarHBondContact CA-OG1 3.42Å; T339-T400 PolarHBondContact O-N 3.33Å; T339-T400 VanDerWaalsContact O-N 3.13Å; T339-T400 PolarHBondContact O-OG1 3.33Å; T400-T461 PolarHBondContact O-N 3.09Å; T400-T461 PolarHBondContact O-OG1 2.67Å; T400-N462 PolarHBondContact O-N 3.14Å
401N78.1Confident73.9Confident60 Ų6032.9 Ų32.932%0.32120%0.202SC..EExtended strand (participates in β ladder)trans-132.4127.9178-55.9-55.3000110.9T339 N340 F341 T399 N462T339-N401 PolarHBondContact O-N 3.4Å; N340-N401 WeakPolarHBondContact CA-O 3.4Å; N340-N401 PolarHBondContact OD1-ND2 2.75Å; F341-N401 PolarHBondContact N-O 2.93Å; T399-N401 VanDerWaalsContact CG2-O 3.28Å; T399-N401 WeakPolarHBondContact CG2-O 3.46Å; N401-N462 WeakPolarHBondContact CA-O 3.38Å; N401-N462 PolarHBondContact OD1-ND2 2.9Å
402F78.3Confident73.1Confident1 Ų130.9 Ų30.90%0.00419%0.194CC..EExtended strand (participates in β ladder)trans-120.8127.9178.8-174.6-87.6000110.1F341 I394 A396 T399 T404 I455 N462 F463 T464 T465F341-F402 HydrophobicContact CB-CD2 3.86Å; F341-F402 HydrophobicContact CB-CE2 4.41Å; F341-F402 AromaticContact CD1-CD2 3.46Å; F341-F402 HydrophobicContact CD1-CD2 3.46Å; F341-F402 VanDerWaalsContact CD1-CD2 3.46Å; F341-F402 AromaticContact CD1-CE2 3.22Å; F341-F402 HydrophobicContact CD1-CE2 3.22Å; F341-F402 HydrophobicContact CD1-CG 4.28Å; F341-F402 AromaticContact CD1-CZ 3.88Å; F341-F402 HydrophobicContact CD1-CZ 3.88Å; F341-F402 HydrophobicContact CD2-CE2 4.47Å; F341-F402 HydrophobicContact CE1-CD2 4.19Å; F341-F402 AromaticContact CE1-CE2 3.46Å; F341-F402 HydrophobicContact CE1-CE2 3.46Å; F341-F402 VanDerWaalsContact CE1-CE2 3.46Å; F341-F402 AromaticContact CE1-CZ 3.82Å; F341-F402 HydrophobicContact CE1-CZ 3.82Å; F341-F402 AromaticContact CG-CD2 3.76Å; F341-F402 HydrophobicContact CG-CD2 3.76Å; F341-F402 AromaticContact CG-CE2 3.79Å; F341-F402 HydrophobicContact CG-CE2 3.79Å; F341-F402 HydrophobicContact CZ-CE2 4.19Å; I394-F402 HydrophobicContact CG2-CE2 4Å; I394-F402 HydrophobicContact CG2-CZ 3.88Å; A396-F402 HydrophobicContact CB-CD2 4.04Å; A396-F402 HydrophobicContact CB-CE2 3.84Å; T399-F402 HydrophobicContact CG2-CB 4.48Å; F402-T404 HydrophobicContact CD1-CG2 4.31Å; F402-T404 HydrophobicContact CE1-CG2 3.38Å; F402-T404 HydrophobicContact CZ-CG2 3.5Å; F402-I455 HydrophobicContact CE1-CD1 4.44Å; F402-I455 HydrophobicContact CE1-CG2 3.69Å; F402-I455 HydrophobicContact CZ-CG2 3.55Å; F402-N462 PolarHBondContact N-O 3.05Å; F402-F463 HydrophobicContact CB-CD2 4Å; F402-F463 HydrophobicContact CB-CE2 4.45Å; F402-F463 AromaticContact CD1-CD2 3.83Å; F402-F463 HydrophobicContact CD1-CD2 3.83Å; F402-F463 AromaticContact CD1-CE2 3.47Å; F402-F463 HydrophobicContact CD1-CE2 3.47Å; F402-F463 VanDerWaalsContact CD1-CE2 3.47Å; F402-F463 HydrophobicContact CD1-CZ 4.11Å; F402-F463 AromaticContact CE1-CE2 3.81Å; F402-F463 HydrophobicContact CE1-CE2 3.81Å; F402-F463 HydrophobicContact CE1-CZ 4.18Å; F402-F463 HydrophobicContact CG-CD2 4.04Å; F402-F463 AromaticContact CG-CE2 3.99Å; F402-F463 HydrophobicContact CG-CE2 3.99Å; F402-T464 CarbonylContact C-O 3.56Å; F402-T464 CarbonylContact O-C 3.56Å; F402-T464 WeakPolarHBondContact O-CA 2.88Å; F402-T464 PolarHBondContact O-N 3.35Å; F402-T465 HydrophobicContact CD1-CG2 3.94Å; F402-T465 HydrophobicContact CE1-CG2 3.71Å
403T78.8Confident72.8Confident56 Ų5630.5 Ų30.534%0.34419%0.191SC..EExtended strand (participates in β ladder)trans-135.5131.5178-53.70000110.3F341 T342 T343 T464F341-T403 PolarHBondContact O-N 3.12Å; T342-T403 VanDerWaalsContact CA-O 3.28Å; T342-T403 WeakPolarHBondContact CA-O 3.48Å; T343-T403 PolarHBondContact N-O 3.32Å; T403-T464 VanDerWaalsContact CA-O 3.28Å; T403-T464 WeakPolarHBondContact CA-O 3.42Å
404T74.7Confident72.3Confident5 Ų530 Ų303%0.03119%0.186CC..EExtended strand (participates in β ladder)trans-133.9143.1174.745.60000110.1F341 I394 F402 I455 T465 T466F341-T404 HydrophobicContact CE1-CG2 4.16Å; I394-T404 HydrophobicContact CD1-CG2 3.82Å; F402-T404 HydrophobicContact CD1-CG2 4.31Å; F402-T404 HydrophobicContact CE1-CG2 3.38Å; F402-T404 HydrophobicContact CZ-CG2 3.5Å; T404-I455 HydrophobicContact CG2-CD1 4.37Å; T404-T465 WeakPolarHBondContact OG1-CA 3.45Å; T404-T465 WeakPolarHBondContact OG1-CB 3.49Å; T404-T465 WeakPolarHBondContact OG1-CG2 3.42Å; T404-T466 CarbonylContact C-O 3.59Å; T404-T466 PolarHBondContact O-N 3.4Å
405T75.7Confident71.9Confident43 Ų4329.7 Ų29.726%0.26419%0.185SC..EExtended strand (participates in β ladder)trans-141.2120.7175.7-53.50000109.9T343 T344 T345 T466T343-T405 PolarHBondContact O-N 2.62Å; T344-T405 CarbonylContact C-O 3.55Å; T344-T405 WeakPolarHBondContact CA-O 3.47Å; T345-T405 PolarHBondContact N-O 3.2Å; T405-T466 VanDerWaalsContact CA-O 3.28Å; T405-T466 WeakPolarHBondContact CA-O 3.37Å
406T67Low71Confident10 Ų1028.4 Ų28.46%0.06118%0.178CC..EExtended strand (participates in β ladder)trans-113.6139169.6-53.10000107.5T345 T451 T468T345-T406 CarbonylContact O-C 3.6Å; T406-T451 HydrophobicContact CG2-CG2 4.11Å; T406-T468 CarbonylContact C-O 3.59Å; T406-T468 CarbonylContact O-C 3.58Å; T406-T468 WeakPolarHBondContact O-CA 3.43Å; T406-T468 PolarHBondContact O-N 2.93Å
407T69.1Low70.2Confident34 Ų3429.1 Ų29.121%0.20918%0.181CC..EExtended strand (participates in β ladder)trans-141.7123177-53.90000109.3T345 T346 T347 T409 T468T345-T407 PolarHBondContact O-N 3.36Å; T346-T407 CarbonylContact C-O 3.57Å; T346-T407 WeakPolarHBondContact CA-O 3.45Å; T347-T407 PolarHBondContact N-O 3Å; T407-T409 HydrophobicContact CG2-CG2 4.18Å; T407-T468 VanDerWaalsContact CA-O 3.27Å; T407-T468 WeakPolarHBondContact CA-O 3.47Å
408T66.1Low69.5Low1 Ų129.7 Ų29.71%0.00619%0.185CC..EExtended strand (participates in β ladder)trans-116.2134.3170.2-54.50000106.8T347 V388 V449 T470T347-T408 CarbonylContact O-C 3.25Å; T347-T408 WeakPolarHBondContact O-CA 3.43Å; T347-T408 WeakPolarHBondContact OG1-CA 3.33Å; T347-T408 WeakPolarHBondContact OG1-CB 3.25Å; T347-T408 VanDerWaalsContact OG1-CG2 3.29Å; T347-T408 WeakPolarHBondContact OG1-CG2 3.26Å; T347-T408 PolarHBondContact OG1-OG1 3.39Å; V388-T408 HydrophobicContact CB-CG2 4.38Å; V388-T408 HydrophobicContact CG1-CG2 3.77Å; T408-V449 HydrophobicContact CG2-CG1 3.77Å; T408-T470 CarbonylContact O-C 3.6Å; T408-T470 VanDerWaalsContact O-C 3.27Å; T408-T470 PolarHBondContact O-N 2.81Å
409T62.7Low69.6Low46 Ų4628.2 Ų28.228%0.28217%0.171SC..EExtended strand (participates in β ladder)trans-133.5132.1173.361.20000110T347 T348 T349 T407 T470T347-T409 PolarHBondContact O-N 3.13Å; T347-T409 PolarHBondContact O-OG1 3.27Å; T348-T409 WeakPolarHBondContact CA-O 3.33Å; T348-T409 WeakPolarHBondContact CG2-OG1 3.36Å; T349-T409 PolarHBondContact N-O 3.41Å; T407-T409 HydrophobicContact CG2-CG2 4.18Å; T409-T470 WeakPolarHBondContact CA-O 3.34Å
410T63.5Low70Confident9 Ų928.1 Ų28.16%0.05517%0.17CC..  trans-114.6160.7175.650.80000109.4T349 V388 P447 V449 T472T349-T410 WeakPolarHBondContact OG1-CA 3.35Å; T349-T410 VanDerWaalsContact OG1-CG2 3.28Å; T349-T410 WeakPolarHBondContact OG1-CG2 2.93Å; V388-T410 HydrophobicContact CG2-CG2 4.38Å; T410-P447 HydrophobicContact CG2-CG 3.55Å; T410-V449 HydrophobicContact CG2-CG2 4.1Å; T410-T472 CarbonylContact C-O 3.57Å; T410-T472 VanDerWaalsContact C-O 3.25Å; T410-T472 PolarHBondContact OG1-N 2.94Å; T410-T472 PolarHBondContact OG1-O 2.66Å; T410-T472 VanDerWaalsContact OG1-O 3.06Å
411D60.8Low70.7Confident83 Ų8327.9 Ų27.944%0.44417%0.167SC..  trans-121.9161.4-179.8173.819.2000109.5G351G351-D411 VanDerWaalsContact CA-OD2 3.26Å; G351-D411 WeakPolarHBondContact CA-OD2 3.4Å; G351-D411 VanDerWaalsContact N-CB 3.27Å; G351-D411 PolarHBondContact N-OD2 3.24Å
412G65.5Low71.1Confident11 Ų1125.3 Ų25.311%0.11315%0.153CC..  trans-118167.1-167.600000115.3D473G412-D473 VanDerWaalsContact CA-OD1 3.3Å; G412-D473 WeakPolarHBondContact CA-OD1 3.47Å
413F76.1Confident71.6Confident0 Ų027.6 Ų27.60%017%0.172CC..  trans-71.8127.9-176177.3-87.8000113.6F352 V381 D383 Q415 V442 D444 G474 F475 N476F352-F413 HydrophobicContact CB-CD2 4.16Å; F352-F413 AromaticContact CD1-CD2 3.34Å; F352-F413 HydrophobicContact CD1-CD2 3.34Å; F352-F413 AromaticContact CD1-CE2 3.35Å; F352-F413 HydrophobicContact CD1-CE2 3.35Å; F352-F413 HydrophobicContact CD1-CG 4.12Å; F352-F413 HydrophobicContact CD1-CZ 4.14Å; F352-F413 AromaticContact CE1-CD2 3.91Å; F352-F413 HydrophobicContact CE1-CD2 3.91Å; F352-F413 AromaticContact CE1-CE2 3.38Å; F352-F413 HydrophobicContact CE1-CE2 3.38Å; F352-F413 AromaticContact CE1-CZ 3.9Å; F352-F413 HydrophobicContact CE1-CZ 3.9Å; F352-F413 AromaticContact CG-CD2 3.92Å; F352-F413 HydrophobicContact CG-CD2 3.92Å; F352-F413 HydrophobicContact CG-CE2 4.16Å; F352-F413 HydrophobicContact CZ-CE2 4.2Å; V381-F413 HydrophobicContact CG1-CE2 4.06Å; V381-F413 HydrophobicContact CG1-CZ 4.33Å; D383-F413 HydrophobicContact CB-CD2 3.7Å; D383-F413 HydrophobicContact CB-CE2 4.18Å; F413-Q415 HydrophobicContact CD1-CB 4.38Å; F413-Q415 HydrophobicContact CE1-CB 3.46Å; F413-Q415 VanDerWaalsContact CE1-CB 3.46Å; F413-Q415 HydrophobicContact CZ-CB 3.74Å; F413-V442 HydrophobicContact CE1-CG1 4.03Å; F413-V442 HydrophobicContact CE2-CG1 4.14Å; F413-V442 HydrophobicContact CZ-CG1 3.47Å; F413-V442 VanDerWaalsContact CZ-CG1 3.47Å; F413-D444 HydrophobicContact CB-CB 4.13Å; F413-D444 VanDerWaalsContact CB-CG 3.41Å; F413-D444 WeakPolarHBondContact CB-OD2 3.37Å; F413-D444 HydrophobicContact CD2-CB 4.31Å; F413-D444 HydrophobicContact CG-CB 4.25Å; F413-G474 PolarHBondContact N-O 3.38Å; F413-G474 VanDerWaalsContact O-O 3.1Å; F413-F475 HydrophobicContact CB-CD2 4.2Å; F413-F475 AromaticContact CD1-CD2 3.36Å; F413-F475 HydrophobicContact CD1-CD2 3.36Å; F413-F475 AromaticContact CD1-CE2 3.4Å; F413-F475 HydrophobicContact CD1-CE2 3.4Å; F413-F475 VanDerWaalsContact CD1-CE2 3.4Å; F413-F475 HydrophobicContact CD1-CG 4.12Å; F413-F475 HydrophobicContact CD1-CZ 4.18Å; F413-F475 AromaticContact CE1-CD2 3.86Å; F413-F475 HydrophobicContact CE1-CD2 3.86Å; F413-F475 AromaticContact CE1-CE2 3.35Å; F413-F475 HydrophobicContact CE1-CE2 3.35Å; F413-F475 AromaticContact CE1-CZ 3.87Å; F413-F475 HydrophobicContact CE1-CZ 3.87Å; F413-F475 AromaticContact CG-CD2 3.92Å; F413-F475 HydrophobicContact CG-CD2 3.92Å; F413-F475 HydrophobicContact CG-CE2 4.18Å; F413-F475 HydrophobicContact CZ-CE2 4.09Å; F413-N476 PolarHBondContact O-N 3.08Å
414N75Confident72.1Confident51 Ų5125 Ų2527%0.27316%0.156SC..EExtended strand (participates in β ladder)trans-128.3107.4175.1-162.7-32000113.2F352 Q354F352-N414 PolarHBondContact O-N 2.93Å; Q354-N414 PolarHBondContact N-O 3Å
415Q74.6Confident72.9Confident0 Ų027 Ų270%017%0.171CC..EExtended strand (participates in β ladder)trans-115.2101173.4-174.8179.887.300112.5F413 K417 N476 Q477 S478F413-Q415 HydrophobicContact CD1-CB 4.38Å; F413-Q415 HydrophobicContact CE1-CB 3.46Å; F413-Q415 VanDerWaalsContact CE1-CB 3.46Å; F413-Q415 HydrophobicContact CZ-CB 3.74Å; Q415-K417 HydrophobicContact CG-CD 4.44Å; Q415-K417 HydrophobicContact CG-CG 4.16Å; Q415-N476 PolarHBondContact N-O 3.11Å; Q415-Q477 WeakPolarHBondContact O-CA 3.39Å; Q415-S478 PolarHBondContact O-N 3.49Å; Q415-S478 VanDerWaalsContact O-N 3.13Å
416S66.1Low73.4Confident28 Ų2825.3 Ų25.320%0.19616%0.161CC..EExtended strand (participates in β ladder)trans-110.495.4179.159.40000112.9Q354 S355 K356 S478Q354-S416 PolarHBondContact O-N 3.14Å; S355-S416 WeakPolarHBondContact CA-OG 3.46Å; S355-S416 WeakPolarHBondContact CB-OG 2.86Å; K356-S416 PolarHBondContact N-O 2.79Å; S416-S478 WeakPolarHBondContact CA-O 3.5Å; S416-S478 WeakPolarHBondContact CB-OG 3.33Å
417K61.5Low74.3Confident16 Ų1626.5 Ų26.57%0.0717%0.17CC..EExtended strand (participates in β ladder)trans-108.7143.3-176.1-62.9-167.4-176.9-169.20114.7Y379 Q415 S478 K479 S480Y379-K417 PolarHBondContact OH-NZ 3.28Å; Q415-K417 HydrophobicContact CG-CD 4.44Å; Q415-K417 HydrophobicContact CG-CG 4.16Å; K417-S478 PolarHBondContact N-O 2.87Å; K417-S478 VanDerWaalsContact N-O 3.12Å; K417-K479 HydrophobicContact CB-CG 4.29Å; K417-S480 PolarHBondContact O-N 3.06Å; K417-S480 PolarHBondContact O-OG 3.13Å
418S58.6Low75.1Confident53 Ų5324.9 Ų24.937%0.37116%0.16SC..SBendtrans-85.6-16.8-178.1620000115.5S358 S480S358-S418 PolarHBondContact N-OG 3.34Å; S418-S480 WeakPolarHBondContact CA-OG 3.47Å; S418-S480 PolarHBondContact O-OG 3.2Å
419S71.2Confident75.7Confident25 Ų2526.2 Ų26.218%0.17517%0.168CC..EExtended strand (participates in β ladder)trans173.4140165.336.90000110.4S358 L359 S481S358-S419 WeakPolarHBondContact CA-O 3.29Å; L359-S419 PolarHBondContact N-O 3.17Å; L359-S419 VanDerWaalsContact N-O 3.07Å; S419-S481 WeakPolarHBondContact CA-O 3.36Å
420L77.1Confident76.2Confident1 Ų127.6 Ų27.61%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-117.9114170.1169.557.1000108.4L359 V422 Y440 S481 L482 N483L359-L420 HydrophobicContact CB-CD1 3.76Å; L359-L420 HydrophobicContact CD2-CD1 3.53Å; L359-L420 HydrophobicContact CG-CD1 3.48Å; L359-L420 VanDerWaalsContact CG-CD1 3.48Å; L359-L420 WeakPolarHBondContact O-CA 3.39Å; L420-V422 HydrophobicContact CD1-CG2 3.45Å; L420-V422 VanDerWaalsContact CD1-CG2 3.45Å; L420-V422 HydrophobicContact CD2-CG2 4.45Å; L420-V422 HydrophobicContact CG-CG2 3.88Å; L420-Y440 HydrophobicContact CD2-CD2 4.19Å; L420-Y440 HydrophobicContact CD2-CE2 3.48Å; L420-Y440 VanDerWaalsContact CD2-CE2 3.48Å; L420-S481 PolarHBondContact N-O 2.99Å; L420-L482 HydrophobicContact CB-CD1 3.79Å; L420-L482 HydrophobicContact CD2-CD1 3.51Å; L420-L482 HydrophobicContact CG-CD1 3.44Å; L420-L482 VanDerWaalsContact CG-CD1 3.44Å; L420-L482 WeakPolarHBondContact O-CA 3.18Å; L420-N483 PolarHBondContact O-N 3.43Å
421N84.6Confident76.6Confident52 Ų5227.3 Ų27.328%0.27818%0.176SC..EExtended strand (participates in β ladder)trans-115.8115.7176.7-57.7-57.9000109.1L359 N360 V361 N483L359-N421 PolarHBondContact O-N 3.1Å; N360-N421 WeakPolarHBondContact CA-O 3.21Å; N360-N421 PolarHBondContact OD1-ND2 3.4Å; V361-N421 PolarHBondContact N-O 3.15Å; N421-N483 WeakPolarHBondContact CA-O 3.43Å; N421-N483 WeakPolarHBondContact OD1-CB 3.43Å; N421-N483 PolarHBondContact OD1-ND2 2.78Å
422V85.8Confident77.6Confident6 Ų625.7 Ų25.74%0.03617%0.171CC..EExtended strand (participates in β ladder)trans-121.9120.2-179.6-172.30000109.3V361 F377 L420 V424 F438 N483 V484 A485V361-V422 HydrophobicContact CB-CG1 4.44Å; V361-V422 WeakPolarHBondContact O-CA 2.79Å; F377-V422 HydrophobicContact CD2-CG1 4.46Å; F377-V422 HydrophobicContact CE1-CG1 3.89Å; F377-V422 HydrophobicContact CE2-CG1 3.75Å; F377-V422 HydrophobicContact CZ-CG1 3.44Å; F377-V422 VanDerWaalsContact CZ-CG1 3.44Å; F377-V422 HydrophobicContact CZ-CG2 4.36Å; L420-V422 HydrophobicContact CD1-CG2 3.45Å; L420-V422 VanDerWaalsContact CD1-CG2 3.45Å; L420-V422 HydrophobicContact CD2-CG2 4.45Å; L420-V422 HydrophobicContact CG-CG2 3.88Å; V422-V424 HydrophobicContact CG1-CG2 3.96Å; V422-F438 HydrophobicContact CB-CE2 4.4Å; V422-F438 HydrophobicContact CG1-CE2 3.62Å; V422-F438 HydrophobicContact CG1-CZ 4.14Å; V422-N483 PolarHBondContact N-O 3.33Å; V422-V484 HydrophobicContact CB-CG1 4.45Å; V422-V484 WeakPolarHBondContact O-CA 3.27Å; V422-A485 PolarHBondContact O-N 2.97Å
423A89Confident78.6Confident49 Ų4927 Ų2741%0.40518%0.177SC..EExtended strand (participates in β ladder)trans-119.8114.8176.200000109.4V361 A362 V363 A485V361-A423 PolarHBondContact O-N 2.93Å; A362-A423 WeakPolarHBondContact CA-O 3.48Å; V363-A423 PolarHBondContact N-O 3.17Å; A423-A485 WeakPolarHBondContact CA-O 3.31Å
424V90.2Very high79.2Confident2 Ų227 Ų271%0.01218%0.177CC..EExtended strand (participates in β ladder)trans-118.8123.7178.4-175.10000108.7V363 F377 V422 F438 A485 V486 S487V363-V424 WeakPolarHBondContact O-CA 3.34Å; F377-V424 HydrophobicContact CB-CG2 4.19Å; F377-V424 HydrophobicContact CD2-CG2 3.76Å; F377-V424 HydrophobicContact CE2-CG2 4.32Å; F377-V424 HydrophobicContact CG-CG2 3.95Å; V422-V424 HydrophobicContact CG1-CG2 3.96Å; V424-F438 HydrophobicContact CG2-CD2 3.94Å; V424-F438 HydrophobicContact CG2-CE2 4.04Å; V424-A485 PolarHBondContact N-O 3.39Å; V424-V486 HydrophobicContact CB-CG2 4.49Å; V424-V486 WeakPolarHBondContact O-CA 3.14Å; V424-S487 PolarHBondContact O-N 2.96Å; V424-S487 PolarHBondContact O-OG 2.54Å
425S89.9Confident79.9Confident48 Ų4826.8 Ų26.834%0.33618%0.176SC..EExtended strand (participates in β ladder)trans-131.1135.6179.662.10000111.3V363 S364 A365 Q375 S487V363-S425 PolarHBondContact O-N 2.93Å; V363-S425 PolarHBondContact O-OG 2.91Å; S364-S425 WeakPolarHBondContact CA-O 3.48Å; A365-S425 PolarHBondContact N-O 2.94Å; A365-S425 VanDerWaalsContact N-O 3.08Å; Q375-S425 PolarHBondContact NE2-O 2.91Å; S425-S487 WeakPolarHBondContact CA-O 3.48Å; S425-S487 WeakPolarHBondContact CB-OG 3.46Å
426A87.9Confident80.7Confident6 Ų627.1 Ų27.15%0.0518%0.177CC..EExtended strand (participates in β ladder)trans-140.2139.5176.600000111.7A365 F373 Q375 F434 S487 A488 S489A365-A426 WeakPolarHBondContact O-CA 3.25Å; F373-A426 HydrophobicContact CE1-CB 3.39Å; F373-A426 HydrophobicContact CZ-CB 3.38Å; Q375-A426 VanDerWaalsContact OE1-CB 3.27Å; A426-F434 HydrophobicContact CB-CE2 3.83Å; A426-F434 HydrophobicContact CB-CZ 3.5Å; A426-F434 VanDerWaalsContact CB-CZ 3.5Å; A426-S487 PolarHBondContact N-O 2.92Å; A426-A488 WeakPolarHBondContact O-CA 3.42Å; A426-S489 PolarHBondContact O-N 3.21Å; A426-S489 VanDerWaalsContact O-N 3.1Å
427S85.9Confident81.7Confident36 Ų3627.2 Ų27.225%0.25218%0.182SC..EExtended strand (participates in β ladder)trans-140.8123.9179.5-170.40000111.7A365 S366 N367 P429 S489A365-S427 PolarHBondContact O-N 2.93Å; S366-S427 WeakPolarHBondContact CA-O 3.48Å; N367-S427 PolarHBondContact N-O 3.22Å; S427-P429 WeakPolarHBondContact OG-CD 3.12Å; S427-S489 WeakPolarHBondContact CA-O 3.46Å
428N85.3Confident83.1Confident0 Ų026.5 Ų26.50%018%0.18CC..  trans-128.677.7169-172.7-0.1000110N367 G370 F373 V430 G431 F434 S489 N490N367-N428 WeakPolarHBondContact O-CA 3.15Å; N367-N428 PolarHBondContact O-OD1 2.91Å; G370-N428 PolarHBondContact O-ND2 3.01Å; G370-N428 PolarHBondContact O-OD1 2.96Å; F373-N428 HydrophobicContact CB-CB 3.96Å; F373-N428 WeakPolarHBondContact CB-ND2 3.43Å; F373-N428 HydrophobicContact CD2-CB 4.21Å; F373-N428 HydrophobicContact CG-CB 4.14Å; N428-V430 VanDerWaalsContact C-N 3.25Å; N428-V430 PolarHBondContact O-N 2.89Å; N428-G431 PolarHBondContact OD1-N 2.93Å; N428-F434 HydrophobicContact CB-CD2 3.69Å; N428-F434 HydrophobicContact CB-CE2 4.27Å; N428-S489 PolarHBondContact N-O 2.88Å; N428-N490 WeakPolarHBondContact O-CA 3.39Å; N428-N490 PolarHBondContact O-OD1 2.93Å
429P79.3Confident84.7Confident28 Ų2826.8 Ų26.818%0.18218%0.179CC..THydrogen-bonded Turntrans-45.2-41.5179.9-31.231.6000115.9S427 V492S427-P429 WeakPolarHBondContact OG-CD 3.12Å; P429-V492 WeakPolarHBondContact O-CB 2.88Å; P429-V492 WeakPolarHBondContact O-CG2 3.01Å; P429-V492 PolarHBondContact O-N 3.44Å; P429-V492 VanDerWaalsContact O-N 3.12Å
430V73.4Confident85.5Confident75 Ų7525.8 Ų25.846%0.45517%0.171SC..THydrogen-bonded Turntrans-135.875-172.2-1670000110.1P368 G370 N428P368-V430 WeakPolarHBondContact O-CB 3.44Å; P368-V430 PolarHBondContact O-N 2.88Å; P368-V430 VanDerWaalsContact O-N 3.12Å; G370-V430 PolarHBondContact N-O 2.9Å; N428-V430 VanDerWaalsContact C-N 3.25Å; N428-V430 PolarHBondContact O-N 2.89Å
431G72Confident86Confident4 Ų426.7 Ų26.74%0.04118%0.181CC..  trans-148.5136.8-178.100000116.1G370 N428 T433 N490 G493G370-G431 WeakPolarHBondContact O-CA 3.48Å; N428-G431 PolarHBondContact OD1-N 2.93Å; G431-T433 PolarHBondContact O-N 3.09Å; G431-N490 PolarHBondContact O-ND2 2.95Å; G431-N490 PolarHBondContact O-OD1 2.97Å; G431-G493 WeakPolarHBondContact O-CA 3.39Å
432S81.6Confident86Confident48 Ų4824.2 Ų24.234%0.33617%0.168SC..SBendtrans-60.2-40.6-176.537.60000113.7S371 S494 T495S371-S432 WeakPolarHBondContact CA-OG 3.45Å; S371-S432 WeakPolarHBondContact CB-OG 3.25Å; S371-S432 PolarHBondContact O-N 3.16Å; S371-S432 VanDerWaalsContact O-N 3.12Å; S371-S432 PolarHBondContact O-OG 3.27Å; S432-S494 WeakPolarHBondContact CA-OG 3.35Å; S432-S494 WeakPolarHBondContact CB-OG 3.29Å; S432-S494 PolarHBondContact O-N 3.16Å; S432-S494 VanDerWaalsContact O-N 3.14Å; S432-S494 PolarHBondContact O-OG 2.84Å; S432-T495 PolarHBondContact O-N 2.58Å
433T84.7Confident86Confident40 Ų4026.1 Ų26.125%0.24518%0.18CC..EExtended strand (participates in β ladder)trans-131.6127.8-173.7-51.30000110.9S371 T372 F373 G431 T495S371-T433 PolarHBondContact O-N 2.68Å; T372-T433 WeakPolarHBondContact CA-O 3.44Å; F373-T433 PolarHBondContact N-O 3.03Å; G431-T433 PolarHBondContact O-N 3.09Å; T433-T495 WeakPolarHBondContact CA-O 3.46Å
434F89.3Confident85.7Confident0 Ų023.9 Ų23.90%016%0.161CC..EExtended strand (participates in β ladder)trans-128.1124.2176.2-179.7-79.2000110.6F373 A426 N428 Q436 A488 N490 T495 F496 N497F373-F434 HydrophobicContact CB-CD2 4.09Å; F373-F434 AromaticContact CD1-CD2 3.48Å; F373-F434 HydrophobicContact CD1-CD2 3.48Å; F373-F434 VanDerWaalsContact CD1-CD2 3.48Å; F373-F434 AromaticContact CD1-CE2 3.41Å; F373-F434 HydrophobicContact CD1-CE2 3.41Å; F373-F434 VanDerWaalsContact CD1-CE2 3.41Å; F373-F434 HydrophobicContact CD1-CG 4.25Å; F373-F434 HydrophobicContact CD1-CZ 4.09Å; F373-F434 HydrophobicContact CE1-CD2 4.12Å; F373-F434 AromaticContact CE1-CE2 3.54Å; F373-F434 HydrophobicContact CE1-CE2 3.54Å; F373-F434 AromaticContact CE1-CZ 3.96Å; F373-F434 HydrophobicContact CE1-CZ 3.96Å; F373-F434 AromaticContact CG-CD2 3.89Å; F373-F434 HydrophobicContact CG-CD2 3.89Å; F373-F434 HydrophobicContact CG-CE2 4.07Å; F373-F434 HydrophobicContact CZ-CE2 4.24Å; A426-F434 HydrophobicContact CB-CE2 3.83Å; A426-F434 HydrophobicContact CB-CZ 3.5Å; A426-F434 VanDerWaalsContact CB-CZ 3.5Å; N428-F434 HydrophobicContact CB-CD2 3.69Å; N428-F434 HydrophobicContact CB-CE2 4.27Å; F434-Q436 HydrophobicContact CE1-CB 3.68Å; F434-Q436 HydrophobicContact CZ-CB 4.18Å; F434-A488 HydrophobicContact CE1-CB 3.39Å; F434-A488 HydrophobicContact CZ-CB 3.41Å; F434-A488 VanDerWaalsContact CZ-CB 3.41Å; F434-N490 HydrophobicContact CB-CB 3.98Å; F434-N490 VanDerWaalsContact CB-ND2 3.34Å; F434-N490 WeakPolarHBondContact CB-ND2 3.46Å; F434-N490 HydrophobicContact CD2-CB 4.23Å; F434-N490 HydrophobicContact CG-CB 4.14Å; F434-T495 PolarHBondContact N-O 2.95Å; F434-F496 HydrophobicContact CB-CD2 4.16Å; F434-F496 AromaticContact CD1-CD2 3.5Å; F434-F496 HydrophobicContact CD1-CD2 3.5Å; F434-F496 AromaticContact CD1-CE2 3.43Å; F434-F496 HydrophobicContact CD1-CE2 3.43Å; F434-F496 VanDerWaalsContact CD1-CE2 3.43Å; F434-F496 HydrophobicContact CD1-CG 4.28Å; F434-F496 HydrophobicContact CD1-CZ 4.12Å; F434-F496 HydrophobicContact CE1-CD2 4.12Å; F434-F496 AromaticContact CE1-CE2 3.55Å; F434-F496 HydrophobicContact CE1-CE2 3.55Å; F434-F496 AromaticContact CE1-CZ 3.99Å; F434-F496 HydrophobicContact CE1-CZ 3.99Å; F434-F496 AromaticContact CG-CD2 3.96Å; F434-F496 HydrophobicContact CG-CD2 3.96Å; F434-F496 HydrophobicContact CG-CE2 4.14Å; F434-F496 HydrophobicContact CZ-CE2 4.29Å; F434-N497 PolarHBondContact O-N 2.67Å
435N90Very high85.2Confident46 Ų4626 Ų2625%0.24617%0.174CC..EExtended strand (participates in β ladder)trans-126.6124.2175.8-56.6-53.9000109.9F373 N374 Q375 N497F373-N435 PolarHBondContact O-N 3.21Å; N374-N435 WeakPolarHBondContact CA-O 3.09Å; N374-N435 WeakPolarHBondContact OD1-CB 3.32Å; N374-N435 PolarHBondContact OD1-ND2 3.25Å; Q375-N435 PolarHBondContact N-O 2.99Å; N435-N497 WeakPolarHBondContact CA-O 3.41Å; N435-N497 WeakPolarHBondContact OD1-CB 3.35Å; N435-N497 PolarHBondContact OD1-ND2 2.87Å
436Q90.4Very high84.3Confident6 Ų624.1 Ų24.13%0.02816%0.161CC..EExtended strand (participates in β ladder)trans-127.4124.6170.8-177.8-174.762.300110.1Q375 F434 V486 S487 A488 N497 Q498 G499Q375-Q436 CarbonylContact O-C 3.6Å; Q375-Q436 VanDerWaalsContact O-CA 3.32Å; Q375-Q436 WeakPolarHBondContact O-CA 3.06Å; F434-Q436 HydrophobicContact CE1-CB 3.68Å; F434-Q436 HydrophobicContact CZ-CB 4.18Å; Q436-V486 VanDerWaalsContact OE1-CG1 3.23Å; Q436-S487 PolarHBondContact NE2-O 3.27Å; Q436-S487 VanDerWaalsContact NE2-O 3.09Å; Q436-A488 VanDerWaalsContact OE1-CB 3.25Å; Q436-N497 PolarHBondContact N-O 3.34Å; Q436-Q498 CarbonylContact O-C 3.59Å; Q436-Q498 WeakPolarHBondContact O-CA 3.4Å; Q436-G499 PolarHBondContact O-N 2.69Å
437G88.2Confident83.3Confident30 Ų3023.9 Ų23.931%0.30916%0.159SC..EExtended strand (participates in β ladder)trans-116.8136.4174.300000111.8Q375 F377Q375-G437 PolarHBondContact O-N 3.33Å; F377-G437 PolarHBondContact N-O 3.4Å
438F91.7Very high82.9Confident2 Ų225.6 Ų25.61%0.00917%0.165CC..EExtended strand (participates in β ladder)trans-127.7121.4170.6-176.9-81.4000109.5F377 V422 V424 V484 V486 G499 F500 T501F377-F438 HydrophobicContact CB-CD2 4.01Å; F377-F438 AromaticContact CD1-CD2 3.45Å; F377-F438 HydrophobicContact CD1-CD2 3.45Å; F377-F438 VanDerWaalsContact CD1-CD2 3.45Å; F377-F438 AromaticContact CD1-CE2 3.24Å; F377-F438 HydrophobicContact CD1-CE2 3.24Å; F377-F438 HydrophobicContact CD1-CG 4.25Å; F377-F438 AromaticContact CD1-CZ 3.89Å; F377-F438 HydrophobicContact CD1-CZ 3.89Å; F377-F438 HydrophobicContact CE1-CD2 4.18Å; F377-F438 AromaticContact CE1-CE2 3.48Å; F377-F438 HydrophobicContact CE1-CE2 3.48Å; F377-F438 VanDerWaalsContact CE1-CE2 3.48Å; F377-F438 AromaticContact CE1-CZ 3.82Å; F377-F438 HydrophobicContact CE1-CZ 3.82Å; F377-F438 AromaticContact CG-CD2 3.86Å; F377-F438 HydrophobicContact CG-CD2 3.86Å; F377-F438 AromaticContact CG-CE2 3.92Å; F377-F438 HydrophobicContact CG-CE2 3.92Å; F377-F438 HydrophobicContact CZ-CE2 4.31Å; F377-F438 CarbonylContact O-C 3.58Å; F377-F438 WeakPolarHBondContact O-CA 3.17Å; V422-F438 HydrophobicContact CB-CE2 4.4Å; V422-F438 HydrophobicContact CG1-CE2 3.62Å; V422-F438 HydrophobicContact CG1-CZ 4.14Å; V424-F438 HydrophobicContact CG2-CD2 3.94Å; V424-F438 HydrophobicContact CG2-CE2 4.04Å; F438-V484 HydrophobicContact CE1-CG1 3.86Å; F438-V484 HydrophobicContact CE2-CG1 3.81Å; F438-V484 HydrophobicContact CZ-CG1 3.42Å; F438-V484 VanDerWaalsContact CZ-CG1 3.42Å; F438-V484 HydrophobicContact CZ-CG2 4.43Å; F438-V486 HydrophobicContact CB-CG2 4.25Å; F438-V486 HydrophobicContact CD2-CG2 3.72Å; F438-V486 HydrophobicContact CE2-CG2 4.23Å; F438-V486 HydrophobicContact CG-CG2 3.95Å; F438-G499 PolarHBondContact N-O 3.12Å; F438-F500 HydrophobicContact CB-CD2 4.01Å; F438-F500 AromaticContact CD1-CD2 3.46Å; F438-F500 HydrophobicContact CD1-CD2 3.46Å; F438-F500 VanDerWaalsContact CD1-CD2 3.46Å; F438-F500 AromaticContact CD1-CE2 3.24Å; F438-F500 HydrophobicContact CD1-CE2 3.24Å; F438-F500 HydrophobicContact CD1-CG 4.26Å; F438-F500 AromaticContact CD1-CZ 3.89Å; F438-F500 HydrophobicContact CD1-CZ 3.89Å; F438-F500 HydrophobicContact CE1-CD2 4.18Å; F438-F500 AromaticContact CE1-CE2 3.48Å; F438-F500 HydrophobicContact CE1-CE2 3.48Å; F438-F500 VanDerWaalsContact CE1-CE2 3.48Å; F438-F500 AromaticContact CE1-CZ 3.84Å; F438-F500 HydrophobicContact CE1-CZ 3.84Å; F438-F500 AromaticContact CG-CD2 3.86Å; F438-F500 HydrophobicContact CG-CD2 3.86Å; F438-F500 AromaticContact CG-CE2 3.92Å; F438-F500 HydrophobicContact CG-CE2 3.92Å; F438-F500 HydrophobicContact CZ-CE2 4.3Å; F438-F500 CarbonylContact O-C 3.55Å; F438-F500 WeakPolarHBondContact O-CA 2.84Å; F438-T501 PolarHBondContact O-N 3.06Å
439T91Very high82.6Confident59 Ų5925.6 Ų25.636%0.36217%0.165SC..EExtended strand (participates in β ladder)trans-126.5126.8176.7-56.10000109.8F377 T378 Y379 T501F377-T439 PolarHBondContact O-N 3.17Å; T378-T439 WeakPolarHBondContact CA-O 3.47Å; Y379-T439 PolarHBondContact N-O 2.8Å; T439-T501 WeakPolarHBondContact CA-O 3.44Å
440Y87.5Confident82.8Confident3 Ų325.9 Ų25.91%0.01217%0.168CC..EExtended strand (participates in β ladder)trans-118.3117.7167.5179.5-78.3000107.7Y379 L420 V442 K479 T501 Y502 G503Y379-Y440 AromaticContact CD1-CD2 3.41Å; Y379-Y440 HydrophobicContact CD1-CD2 3.41Å; Y379-Y440 VanDerWaalsContact CD1-CD2 3.41Å; Y379-Y440 AromaticContact CD1-CE2 3.21Å; Y379-Y440 HydrophobicContact CD1-CE2 3.21Å; Y379-Y440 HydrophobicContact CD1-CG 4.19Å; Y379-Y440 AromaticContact CD1-CZ 3.83Å; Y379-Y440 HydrophobicContact CE1-CD2 4.06Å; Y379-Y440 AromaticContact CE1-CE2 3.34Å; Y379-Y440 HydrophobicContact CE1-CE2 3.34Å; Y379-Y440 AromaticContact CE1-CZ 3.67Å; Y379-Y440 AromaticContact CG-CD2 3.86Å; Y379-Y440 HydrophobicContact CG-CD2 3.86Å; Y379-Y440 AromaticContact CG-CE2 3.92Å; Y379-Y440 HydrophobicContact CG-CE2 3.92Å; Y379-Y440 WeakPolarHBondContact O-CA 3.44Å; L420-Y440 HydrophobicContact CD2-CD2 4.19Å; L420-Y440 HydrophobicContact CD2-CE2 3.48Å; L420-Y440 VanDerWaalsContact CD2-CE2 3.48Å; Y440-V442 HydrophobicContact CE1-CG2 3.74Å; Y440-V442 VanDerWaalsContact OH-CG2 3.31Å; Y440-V442 WeakPolarHBondContact OH-CG2 3.23Å; Y440-K479 PolarHBondContact OH-NZ 2.82Å; Y440-T501 PolarHBondContact N-O 3.35Å; Y440-Y502 AromaticContact CD1-CD2 3.42Å; Y440-Y502 HydrophobicContact CD1-CD2 3.42Å; Y440-Y502 VanDerWaalsContact CD1-CD2 3.42Å; Y440-Y502 AromaticContact CD1-CE2 3.2Å; Y440-Y502 HydrophobicContact CD1-CE2 3.2Å; Y440-Y502 HydrophobicContact CD1-CG 4.21Å; Y440-Y502 AromaticContact CD1-CZ 3.84Å; Y440-Y502 HydrophobicContact CE1-CD2 4.15Å; Y440-Y502 AromaticContact CE1-CE2 3.44Å; Y440-Y502 HydrophobicContact CE1-CE2 3.44Å; Y440-Y502 VanDerWaalsContact CE1-CE2 3.44Å; Y440-Y502 AromaticContact CE1-CZ 3.78Å; Y440-Y502 AromaticContact CG-CD2 3.83Å; Y440-Y502 HydrophobicContact CG-CD2 3.83Å; Y440-Y502 AromaticContact CG-CE2 3.9Å; Y440-Y502 HydrophobicContact CG-CE2 3.9Å; Y440-Y502 CarbonylContact O-C 3.57Å; Y440-Y502 WeakPolarHBondContact O-CA 3.3Å; Y440-G503 PolarHBondContact O-N 3.36Å
441G87.6Confident83.3Confident20 Ų2022.3 Ų22.321%0.20615%0.146CC..EExtended strand (participates in β ladder)trans-127.7136.8177.700000111Y379 G380 V381 G503Y379-G441 PolarHBondContact O-N 3.41Å; G380-G441 WeakPolarHBondContact CA-O 3.44Å; V381-G441 PolarHBondContact N-O 3.44Å; V381-G441 VanDerWaalsContact N-O 3.14Å; G441-G503 WeakPolarHBondContact CA-O 3.31Å
442V85Confident83.9Confident1 Ų124.5 Ų24.51%0.00616%0.157CC..EExtended strand (participates in β ladder)trans-130.3126.6161.2179.20000106.1Y379 V381 F413 Y440 F475 G503 V504 T505Y379-V442 HydrophobicContact CE1-CG2 4.43Å; V381-V442 HydrophobicContact CB-CG1 4.46Å; V381-V442 HydrophobicContact CB-CG2 4.39Å; V381-V442 CarbonylContact O-C 3.53Å; V381-V442 VanDerWaalsContact O-CA 3.3Å; V381-V442 WeakPolarHBondContact O-CA 3.36Å; F413-V442 HydrophobicContact CE1-CG1 4.03Å; F413-V442 HydrophobicContact CE2-CG1 4.14Å; F413-V442 HydrophobicContact CZ-CG1 3.47Å; F413-V442 VanDerWaalsContact CZ-CG1 3.47Å; Y440-V442 HydrophobicContact CE1-CG2 3.74Å; Y440-V442 VanDerWaalsContact OH-CG2 3.31Å; Y440-V442 WeakPolarHBondContact OH-CG2 3.23Å; V442-F475 HydrophobicContact CG1-CE2 3.84Å; V442-F475 HydrophobicContact CG1-CZ 4.1Å; V442-G503 PolarHBondContact N-O 2.74Å; V442-G503 VanDerWaalsContact N-O 3.15Å; V442-V504 HydrophobicContact CB-CG2 4.4Å; V442-V504 CarbonylContact O-C 3.58Å; V442-V504 VanDerWaalsContact O-CA 3.29Å; V442-V504 WeakPolarHBondContact O-CA 3.09Å; V442-T505 PolarHBondContact O-N 2.89Å
443T85.5Confident83.9Confident46 Ų4622.5 Ų22.528%0.28214%0.143SC..EExtended strand (participates in β ladder)trans-125.4126.1177.5-60.50000107.1V381 T382 D383 T505V381-T443 PolarHBondContact O-N 2.89Å; T382-T443 WeakPolarHBondContact CA-O 3.44Å; D383-T443 PolarHBondContact N-O 3.28Å; T443-T505 WeakPolarHBondContact CA-O 3.46Å
444D83.2Confident84Confident2 Ų223.4 Ų23.41%0.01115%0.148CC..  trans-110.5139.3163.5-172.716.5000107.2F413 F475 T505 T507F413-D444 HydrophobicContact CB-CB 4.13Å; F413-D444 VanDerWaalsContact CB-CG 3.41Å; F413-D444 WeakPolarHBondContact CB-OD2 3.37Å; F413-D444 HydrophobicContact CD2-CB 4.31Å; F413-D444 HydrophobicContact CG-CB 4.25Å; D444-F475 HydrophobicContact CB-CD2 3.7Å; D444-F475 HydrophobicContact CB-CE2 4.23Å; D444-T505 PolarHBondContact N-O 2.93Å; D444-T507 PolarHBondContact O-N 3.1Å
445T80.1Confident83.8Confident47 Ų4723.6 Ų23.629%0.28815%0.15SC..  trans-144.8103.8179.8-580000106D383 A385D383-T445 PolarHBondContact O-N 3.12Å; A385-T445 WeakPolarHBondContact CB-O 3.38Å; A385-T445 PolarHBondContact N-O 3.33Å
446A70.7Confident83.6Confident7 Ų724.2 Ų24.26%0.05816%0.155CC..PPolyproline II helixtrans-74.7165.9-178.400000111.2D473 T507 P509A446-D473 HydrophobicContact CB-CB 4.44Å; A446-D473 WeakPolarHBondContact CB-OD2 3.4Å; A446-T507 WeakPolarHBondContact CB-O 3.2Å; A446-T507 PolarHBondContact N-O 2.8Å; A446-P509 HydrophobicContact CB-CB 3.94Å; A446-P509 VanDerWaalsContact CB-CD 3.44Å; A446-P509 HydrophobicContact CB-CG 3.86Å
447P67.3Low83Confident1 Ų123.9 Ų23.91%0.00615%0.153CC..PPolyproline II helixtrans-93.3127.6-167.828.9-24.1000114.8A385 P386 T410 V449 P509A385-P447 HydrophobicContact CB-CB 3.87Å; A385-P447 HydrophobicContact CB-CG 3.71Å; P386-P447 WeakPolarHBondContact O-CB 3.16Å; T410-P447 HydrophobicContact CG2-CG 3.55Å; P447-V449 VanDerWaalsContact O-CG2 3.31Å; P447-V449 WeakPolarHBondContact O-CG2 3.5Å; P447-V449 PolarHBondContact O-N 3.07Å; P447-P509 WeakPolarHBondContact O-CB 3.43Å
448D78Confident82.4Confident72 Ų7224.5 Ų24.539%0.38515%0.153SC..PPolyproline II helixtrans-60.9130.7176.4-74.4-11.9000110.7D387 V388 D510D387-D448 PolarHBondContact OD1-N 2.96Å; D387-D448 VanDerWaalsContact OD1-N 3.14Å; V388-D448 PolarHBondContact N-O 2.93Å; D448-D510 WeakPolarHBondContact CA-O 3.2Å; D448-D510 WeakPolarHBondContact OD1-CB 3.44Å; D448-D510 PolarHBondContact OD1-N 3.46Å
449V77.7Confident81.2Confident1 Ų127 Ų271%0.00617%0.174CC..EExtended strand (participates in β ladder)trans-111.1112.9-176.3-178.60000110.3V388 T408 T410 P447 T469 T471 D510 V511 S512V388-V449 HydrophobicContact CB-CG2 4.32Å; V388-V449 WeakPolarHBondContact O-CA 3.4Å; T408-V449 HydrophobicContact CG2-CG1 3.77Å; T410-V449 HydrophobicContact CG2-CG2 4.1Å; P447-V449 VanDerWaalsContact O-CG2 3.31Å; P447-V449 WeakPolarHBondContact O-CG2 3.5Å; P447-V449 PolarHBondContact O-N 3.07Å; V449-T469 HydrophobicContact CG1-CG2 3.98Å; V449-T471 HydrophobicContact CB-CG2 3.8Å; V449-T471 HydrophobicContact CG1-CG2 4.06Å; V449-T471 HydrophobicContact CG2-CG2 3.54Å; V449-D510 PolarHBondContact N-O 2.92Å; V449-V511 HydrophobicContact CB-CG2 4.44Å; V449-V511 WeakPolarHBondContact O-CA 3.4Å; V449-S512 PolarHBondContact O-N 2.94Å
450S84.5Confident80.1Confident33 Ų3324.7 Ų24.723%0.23116%0.16CC..EExtended strand (participates in β ladder)trans-112.2123.3173.666.10000112V388 S389 T390 S512V388-S450 PolarHBondContact O-N 3.5Å; S389-S450 WeakPolarHBondContact CA-O 3.43Å; S389-S450 WeakPolarHBondContact CA-OG 3.47Å; S389-S450 WeakPolarHBondContact CB-OG 3.46Å; T390-S450 PolarHBondContact N-O 3.22Å; T390-S450 PolarHBondContact OG1-O 3.26Å; S450-S512 CarbonylContact C-O 3.53Å; S450-S512 WeakPolarHBondContact CA-O 3.43Å; S450-S512 WeakPolarHBondContact CA-OG 3.36Å; S450-S512 WeakPolarHBondContact CB-OG 3.44Å
451T82.8Confident79.4Confident0 Ų027.5 Ų27.50%018%0.178CC..EExtended strand (participates in β ladder)trans-122.6105.6177.1-59.80000109.6T390 T406 T467 S512 T513 N514T390-T451 WeakPolarHBondContact OG1-CA 3.11Å; T390-T451 WeakPolarHBondContact OG1-CG2 3.29Å; T390-T451 PolarHBondContact OG1-OG1 2.88Å; T406-T451 HydrophobicContact CG2-CG2 4.11Å; T451-T467 HydrophobicContact CG2-CG2 4.25Å; T451-S512 PolarHBondContact N-O 3.4Å; T451-T513 CarbonylContact O-C 3.6Å; T451-T513 WeakPolarHBondContact O-CA 3.37Å; T451-N514 PolarHBondContact O-N 2.82Å
452N84.8Confident79Confident51 Ų5129.4 Ų29.427%0.27318%0.183SC..EExtended strand (participates in β ladder)trans-112.3115179.5-58.1-53.3000110.5T390 N391 S392 N514T390-N452 PolarHBondContact O-N 3.04Å; N391-N452 CarbonylContact C-O 3.6Å; N391-N452 WeakPolarHBondContact CA-O 3.45Å; N391-N452 WeakPolarHBondContact OD1-CB 3.43Å; N391-N452 PolarHBondContact OD1-ND2 2.91Å; S392-N452 PolarHBondContact N-O 3.21Å; N452-N514 CarbonylContact C-O 3.52Å; N452-N514 WeakPolarHBondContact CA-O 3.41Å; N452-N514 WeakPolarHBondContact OD1-CB 3.45Å; N452-N514 PolarHBondContact OD1-ND2 3.42Å
453S82.6Confident78.9Confident6 Ų629.4 Ų29.44%0.04218%0.183CC..EExtended strand (participates in β ladder)trans-121.9121-179.9-68.50000111.3S392 N514 S515 T516S392-S453 CarbonylContact O-C 3.52Å; S392-S453 WeakPolarHBondContact O-CA 3.42Å; S453-N514 PolarHBondContact N-O 3Å; S453-S515 CarbonylContact O-C 3.58Å; S453-S515 WeakPolarHBondContact O-CA 3.48Å; S453-T516 PolarHBondContact O-N 2.9Å
454T86.8Confident78.7Confident58 Ų5829.6 Ų29.636%0.35618%0.184SC..EExtended strand (participates in β ladder)trans-113112.8171.4-59.90000109.4S392 T393 I394 T516S392-T454 PolarHBondContact O-N 3.3Å; T393-T454 CarbonylContact C-O 3.5Å; T393-T454 WeakPolarHBondContact CA-O 3.35Å; I394-T454 PolarHBondContact N-O 2.85Å; T454-T516 CarbonylContact C-O 3.59Å; T454-T516 WeakPolarHBondContact CA-O 3.37Å
455I84.1Confident78.6Confident5 Ų529.5 Ų29.53%0.02618%0.184CC..EExtended strand (participates in β ladder)trans-118.4121.1-177.5-57.1175.1000109.5I394 F402 T404 F463 T465 T516 I517 T518I394-I455 HydrophobicContact CB-CG1 4.45Å; I394-I455 CarbonylContact O-C 3.46Å; I394-I455 WeakPolarHBondContact O-CA 3.43Å; F402-I455 HydrophobicContact CE1-CD1 4.44Å; F402-I455 HydrophobicContact CE1-CG2 3.69Å; F402-I455 HydrophobicContact CZ-CG2 3.55Å; T404-I455 HydrophobicContact CG2-CD1 4.37Å; I455-F463 HydrophobicContact CG2-CE2 4.17Å; I455-F463 HydrophobicContact CG2-CZ 3.98Å; I455-T465 HydrophobicContact CD1-CG2 3.89Å; I455-T516 PolarHBondContact N-O 2.9Å; I455-I517 HydrophobicContact CB-CG1 4.46Å; I455-I517 CarbonylContact O-C 3.55Å; I455-I517 WeakPolarHBondContact O-CA 3.27Å; I455-T518 PolarHBondContact O-N 2.78Å
456T85.3Confident78.6Confident58 Ų5829.1 Ų29.136%0.35618%0.181SC..EExtended strand (participates in β ladder)trans-118.5118.5172.6-58.40000110I394 T395 A396 T518I394-T456 PolarHBondContact O-N 2.9Å; T395-T456 CarbonylContact C-O 3.59Å; T395-T456 WeakPolarHBondContact CA-O 3.44Å; A396-T456 PolarHBondContact N-O 2.88Å; T456-T518 CarbonylContact C-O 3.6Å; T456-T518 WeakPolarHBondContact CA-O 3.35Å
457A78.9Confident78.9Confident0 Ų028.9 Ų28.90%018%0.179CC..EExtended strand (participates in β ladder)trans-125.9136.4177.200000112.3A396 T460 F463 T518 A519 S520A396-A457 VanDerWaalsContact O-CA 3.28Å; A396-A457 WeakPolarHBondContact O-CA 3.39Å; A457-T460 HydrophobicContact CB-CG2 4.4Å; A457-F463 HydrophobicContact CB-CD2 3.85Å; A457-F463 HydrophobicContact CB-CE2 3.54Å; A457-T518 PolarHBondContact N-O 3.37Å; A457-A519 VanDerWaalsContact O-CA 3.27Å; A457-A519 WeakPolarHBondContact O-CA 3.43Å; A457-S520 PolarHBondContact O-N 2.92Å
458S74.9Confident79.4Confident43 Ų4330.4 Ų30.430%0.30119%0.188SC..EExtended strand (participates in β ladder)trans-128.7134.4176.460.20000111.8A396 A398 S520A396-S458 PolarHBondContact O-N 3.26Å; A396-S458 VanDerWaalsContact O-N 3.07Å; A398-S458 PolarHBondContact N-O 3.36Å; S458-S520 WeakPolarHBondContact CB-OG 3.49Å
459A67.4Low79.4Confident55 Ų5527 Ų2746%0.45517%0.17SC..EExtended strand (participates in β ladder)trans59.980.2179.100000114.1T399 S520T399-A459 PolarHBondContact N-O 3.15Å; A459-S520 PolarHBondContact N-O 2.93Å
460T67.7Low79.3Confident9 Ų928.7 Ų28.76%0.05518%0.181CC..EExtended strand (participates in β ladder)trans-127.9154.2178.1780000114.7T399 A457 A521 T522 T523T399-T460 WeakPolarHBondContact O-CA 3.36Å; T399-T460 WeakPolarHBondContact O-CB 3.26Å; T399-T460 WeakPolarHBondContact O-CG2 3.47Å; A457-T460 HydrophobicContact CB-CG2 4.4Å; T460-A521 PolarHBondContact N-O 3.41Å; T460-A521 VanDerWaalsContact N-O 3.14Å; T460-T522 WeakPolarHBondContact O-CA 3.47Å; T460-T522 WeakPolarHBondContact OG1-CG2 3.35Å; T460-T523 PolarHBondContact O-N 3.28Å
461T72.9Confident78.8Confident63 Ų6327.2 Ų27.239%0.38717%0.17SC..EExtended strand (participates in β ladder)trans-85.7-49.2170.643.30000110.4T400 T523 N524T400-T461 PolarHBondContact O-N 3.09Å; T400-T461 PolarHBondContact O-OG1 2.67Å; T461-T523 PolarHBondContact O-N 3.19Å; T461-T523 PolarHBondContact O-OG1 3.43Å; T461-N524 PolarHBondContact O-N 3.36Å
462N79Confident78.4Confident59 Ų5930.3 Ų30.332%0.31619%0.189SC..EExtended strand (participates in β ladder)trans-125.5126.8177.5-56.3-54.3000109.9T400 N401 F402 N524T400-N462 PolarHBondContact O-N 3.14Å; N401-N462 WeakPolarHBondContact CA-O 3.38Å; N401-N462 PolarHBondContact OD1-ND2 2.9Å; F402-N462 PolarHBondContact N-O 3.05Å; N462-N524 PolarHBondContact OD1-ND2 3.29Å
463F81.9Confident77.9Confident1 Ų128.3 Ų28.30%0.00418%0.178CC..EExtended strand (participates in β ladder)trans-116.4121.5174.8-177.3-91000109.1F402 I455 A457 T465 I517 N524 F525 T526 T527F402-F463 HydrophobicContact CB-CD2 4Å; F402-F463 HydrophobicContact CB-CE2 4.45Å; F402-F463 AromaticContact CD1-CD2 3.83Å; F402-F463 HydrophobicContact CD1-CD2 3.83Å; F402-F463 AromaticContact CD1-CE2 3.47Å; F402-F463 HydrophobicContact CD1-CE2 3.47Å; F402-F463 VanDerWaalsContact CD1-CE2 3.47Å; F402-F463 HydrophobicContact CD1-CZ 4.11Å; F402-F463 AromaticContact CE1-CE2 3.81Å; F402-F463 HydrophobicContact CE1-CE2 3.81Å; F402-F463 HydrophobicContact CE1-CZ 4.18Å; F402-F463 HydrophobicContact CG-CD2 4.04Å; F402-F463 AromaticContact CG-CE2 3.99Å; F402-F463 HydrophobicContact CG-CE2 3.99Å; I455-F463 HydrophobicContact CG2-CE2 4.17Å; I455-F463 HydrophobicContact CG2-CZ 3.98Å; A457-F463 HydrophobicContact CB-CD2 3.85Å; A457-F463 HydrophobicContact CB-CE2 3.54Å; F463-T465 HydrophobicContact CD1-CG2 4.19Å; F463-T465 HydrophobicContact CE1-CG2 3.33Å; F463-T465 HydrophobicContact CE2-CG2 4.1Å; F463-T465 HydrophobicContact CZ-CG2 3.27Å; F463-I517 HydrophobicContact CE1-CG2 3.66Å; F463-I517 HydrophobicContact CZ-CG2 3.58Å; F463-N524 PolarHBondContact N-O 2.89Å; F463-F525 HydrophobicContact CB-CD2 4.12Å; F463-F525 AromaticContact CD1-CD2 3.42Å; F463-F525 HydrophobicContact CD1-CD2 3.42Å; F463-F525 VanDerWaalsContact CD1-CD2 3.42Å; F463-F525 AromaticContact CD1-CE2 3.28Å; F463-F525 HydrophobicContact CD1-CE2 3.28Å; F463-F525 HydrophobicContact CD1-CG 4.28Å; F463-F525 HydrophobicContact CD1-CZ 4.07Å; F463-F525 HydrophobicContact CE1-CD2 4.06Å; F463-F525 AromaticContact CE1-CE2 3.41Å; F463-F525 HydrophobicContact CE1-CE2 3.41Å; F463-F525 VanDerWaalsContact CE1-CE2 3.41Å; F463-F525 AromaticContact CE1-CZ 3.93Å; F463-F525 HydrophobicContact CE1-CZ 3.93Å; F463-F525 AromaticContact CG-CD2 3.98Å; F463-F525 HydrophobicContact CG-CD2 3.98Å; F463-F525 HydrophobicContact CG-CE2 4.11Å; F463-F525 HydrophobicContact CZ-CE2 4.34Å; F463-T526 PolarHBondContact O-N 3Å; F463-T527 HydrophobicContact CD1-CG2 4.41Å; F463-T527 HydrophobicContact CE1-CG2 4.01Å
464T82.2Confident77.5Confident50 Ų5029 Ų2931%0.30719%0.187SC..EExtended strand (participates in β ladder)trans-132.2126.9177.5-57.90000110F402 T403 T526F402-T464 CarbonylContact C-O 3.56Å; F402-T464 CarbonylContact O-C 3.56Å; F402-T464 WeakPolarHBondContact O-CA 2.88Å; F402-T464 PolarHBondContact O-N 3.35Å; T403-T464 VanDerWaalsContact CA-O 3.28Å; T403-T464 WeakPolarHBondContact CA-O 3.42Å; T464-T526 VanDerWaalsContact CA-O 3.28Å; T464-T526 WeakPolarHBondContact CA-O 3.48Å
465T81.6Confident77.3Confident1 Ų126.3 Ų26.31%0.00617%0.17CC..EExtended strand (participates in β ladder)trans-132.4130.9173.959.20000109.7F402 T404 I455 F463 T526 T527 T528F402-T465 HydrophobicContact CD1-CG2 3.94Å; F402-T465 HydrophobicContact CE1-CG2 3.71Å; T404-T465 WeakPolarHBondContact OG1-CA 3.45Å; T404-T465 WeakPolarHBondContact OG1-CB 3.49Å; T404-T465 WeakPolarHBondContact OG1-CG2 3.42Å; I455-T465 HydrophobicContact CD1-CG2 3.89Å; F463-T465 HydrophobicContact CD1-CG2 4.19Å; F463-T465 HydrophobicContact CE1-CG2 3.33Å; F463-T465 HydrophobicContact CE2-CG2 4.1Å; F463-T465 HydrophobicContact CZ-CG2 3.27Å; T465-T526 PolarHBondContact N-O 3.02Å; T465-T526 VanDerWaalsContact N-O 3.16Å; T465-T527 VanDerWaalsContact OG1-CG2 3.29Å; T465-T527 WeakPolarHBondContact OG1-CG2 3.41Å; T465-T528 PolarHBondContact O-N 2.91Å
466T80.4Confident77.1Confident39 Ų3928.4 Ų28.424%0.23918%0.181CC..EExtended strand (participates in β ladder)trans-121.8114.8174.1-550000107.9T404 T405 T528T404-T466 CarbonylContact C-O 3.59Å; T404-T466 PolarHBondContact O-N 3.4Å; T405-T466 VanDerWaalsContact CA-O 3.28Å; T405-T466 WeakPolarHBondContact CA-O 3.37Å; T466-T528 CarbonylContact C-O 3.48Å; T466-T528 VanDerWaalsContact CA-O 3.28Å; T466-T528 WeakPolarHBondContact CA-O 3.44Å
467T77.2Confident76.7Confident2 Ų225.7 Ų25.71%0.01216%0.164CC..EExtended strand (participates in β ladder)trans-106.3118.1168.6-54.10000106.5T451 T513 T528 T529 T530T451-T467 HydrophobicContact CG2-CG2 4.25Å; T467-T513 HydrophobicContact CG2-CG2 4.04Å; T467-T528 PolarHBondContact N-O 3.24Å; T467-T529 CarbonylContact O-C 3.51Å; T467-T529 WeakPolarHBondContact O-CA 3.5Å; T467-T530 PolarHBondContact O-N 3.14Å
468T77.5Confident76.3Confident33 Ų3327.6 Ų27.620%0.20218%0.178CC..EExtended strand (participates in β ladder)trans-120.8106.6178.1-55.90000108.8T406 T407 T530T406-T468 CarbonylContact C-O 3.59Å; T406-T468 CarbonylContact O-C 3.58Å; T406-T468 WeakPolarHBondContact O-CA 3.43Å; T406-T468 PolarHBondContact O-N 2.93Å; T407-T468 VanDerWaalsContact CA-O 3.27Å; T407-T468 WeakPolarHBondContact CA-O 3.47Å; T468-T530 CarbonylContact C-O 3.47Å; T468-T530 VanDerWaalsContact CA-O 3.24Å; T468-T530 WeakPolarHBondContact CA-O 3.46Å
469T76.8Confident75.7Confident0 Ų025.9 Ų25.90%017%0.165CC..EExtended strand (participates in β ladder)trans-99.4116.5170.7-49.30000106.6V449 T471 V511 T513 T530 T531 T532V449-T469 HydrophobicContact CG1-CG2 3.98Å; T469-T471 HydrophobicContact CG2-CG2 4.41Å; T469-V511 HydrophobicContact CG2-CG1 3.89Å; T469-T513 PolarHBondContact OG1-OG1 2.94Å; T469-T530 PolarHBondContact N-O 3.22Å; T469-T531 CarbonylContact O-C 3.48Å; T469-T531 WeakPolarHBondContact O-CA 3.36Å; T469-T532 PolarHBondContact O-N 3.33Å
470T76Confident75.3Confident37 Ų3726.2 Ų26.223%0.22716%0.164CC..EExtended strand (participates in β ladder)trans-120.691.5179.4-55.50000109.6T408 T409 T532T408-T470 CarbonylContact O-C 3.6Å; T408-T470 VanDerWaalsContact O-C 3.27Å; T408-T470 PolarHBondContact O-N 2.81Å; T409-T470 WeakPolarHBondContact CA-O 3.34Å; T470-T532 CarbonylContact C-O 3.55Å; T470-T532 WeakPolarHBondContact CA-O 3.49Å; T470-T532 HydrophobicContact CG2-CG2 4.5Å
471T74.4Confident75.5Confident2 Ų227 Ų271%0.01217%0.169CC..EExtended strand (participates in β ladder)trans-85.9133.817164.20000108.9V449 T469 V511 T532 T533 T534V449-T471 HydrophobicContact CB-CG2 3.8Å; V449-T471 HydrophobicContact CG1-CG2 4.06Å; V449-T471 HydrophobicContact CG2-CG2 3.54Å; T469-T471 HydrophobicContact CG2-CG2 4.41Å; T471-V511 HydrophobicContact CG2-CG1 4.23Å; T471-V511 HydrophobicContact CG2-CG2 3.57Å; T471-V511 WeakPolarHBondContact OG1-CG2 3.44Å; T471-T532 PolarHBondContact N-O 3.37Å; T471-T533 WeakPolarHBondContact O-CA 3.17Å; T471-T533 WeakPolarHBondContact OG1-CA 3.4Å; T471-T533 VanDerWaalsContact OG1-CB 3.25Å; T471-T533 WeakPolarHBondContact OG1-CB 3.45Å; T471-T533 WeakPolarHBondContact OG1-CG2 3.37Å; T471-T534 PolarHBondContact O-N 3.45Å
472T74.7Confident75.7Confident64 Ų6424 Ų2439%0.39315%0.151SC..EExtended strand (participates in β ladder)trans-129.9128.4169.7-570000106.3T410 T534T410-T472 CarbonylContact C-O 3.57Å; T410-T472 VanDerWaalsContact C-O 3.25Å; T410-T472 PolarHBondContact OG1-N 2.94Å; T410-T472 PolarHBondContact OG1-O 2.66Å; T410-T472 VanDerWaalsContact OG1-O 3.06Å; T472-T534 CarbonylContact C-O 3.56Å; T472-T534 VanDerWaalsContact CA-O 3.27Å; T472-T534 WeakPolarHBondContact CA-O 3.44Å
473D72.8Confident76Confident10 Ų1023.6 Ų23.65%0.05315%0.149CC..  trans-130.6162.6171.4-171.621.8000108.2G412 A446 T534G412-D473 VanDerWaalsContact CA-OD1 3.3Å; G412-D473 WeakPolarHBondContact CA-OD1 3.47Å; A446-D473 HydrophobicContact CB-CB 4.44Å; A446-D473 WeakPolarHBondContact CB-OD2 3.4Å; D473-T534 PolarHBondContact N-O 3.14Å
474G74.5Confident76.2Confident21 Ų2123.8 Ų23.822%0.21615%0.15CC..  trans-177.1113.6169.600000111.9F413 N476 G536F413-G474 PolarHBondContact N-O 3.38Å; F413-G474 VanDerWaalsContact O-O 3.1Å; G474-N476 PolarHBondContact O-N 3.23Å; G474-G536 WeakPolarHBondContact CA-O 3.46Å
475F82.9Confident76.5Confident0 Ų023.8 Ų23.80%016%0.155CC..  trans-72.1111.8169.4-179.8-89.4000111.8F413 V442 D444 Q477 V504 D506 G536 F537 N538F413-F475 HydrophobicContact CB-CD2 4.2Å; F413-F475 AromaticContact CD1-CD2 3.36Å; F413-F475 HydrophobicContact CD1-CD2 3.36Å; F413-F475 AromaticContact CD1-CE2 3.4Å; F413-F475 HydrophobicContact CD1-CE2 3.4Å; F413-F475 VanDerWaalsContact CD1-CE2 3.4Å; F413-F475 HydrophobicContact CD1-CG 4.12Å; F413-F475 HydrophobicContact CD1-CZ 4.18Å; F413-F475 AromaticContact CE1-CD2 3.86Å; F413-F475 HydrophobicContact CE1-CD2 3.86Å; F413-F475 AromaticContact CE1-CE2 3.35Å; F413-F475 HydrophobicContact CE1-CE2 3.35Å; F413-F475 AromaticContact CE1-CZ 3.87Å; F413-F475 HydrophobicContact CE1-CZ 3.87Å; F413-F475 AromaticContact CG-CD2 3.92Å; F413-F475 HydrophobicContact CG-CD2 3.92Å; F413-F475 HydrophobicContact CG-CE2 4.18Å; F413-F475 HydrophobicContact CZ-CE2 4.09Å; V442-F475 HydrophobicContact CG1-CE2 3.84Å; V442-F475 HydrophobicContact CG1-CZ 4.1Å; D444-F475 HydrophobicContact CB-CD2 3.7Å; D444-F475 HydrophobicContact CB-CE2 4.23Å; F475-Q477 HydrophobicContact CD1-CB 4.33Å; F475-Q477 HydrophobicContact CE1-CB 3.45Å; F475-Q477 VanDerWaalsContact CE1-CB 3.45Å; F475-Q477 HydrophobicContact CZ-CB 3.8Å; F475-V504 HydrophobicContact CE1-CG1 3.76Å; F475-V504 HydrophobicContact CE2-CG1 4Å; F475-V504 HydrophobicContact CZ-CG1 3.32Å; F475-D506 HydrophobicContact CB-CB 4.12Å; F475-D506 VanDerWaalsContact CB-CG 3.41Å; F475-D506 WeakPolarHBondContact CB-OD2 3.49Å; F475-D506 HydrophobicContact CD2-CB 4.42Å; F475-D506 HydrophobicContact CG-CB 4.3Å; F475-G536 PolarHBondContact N-O 2.96Å; F475-F537 HydrophobicContact CB-CD2 4.01Å; F475-F537 AromaticContact CD1-CD2 3.46Å; F475-F537 HydrophobicContact CD1-CD2 3.46Å; F475-F537 VanDerWaalsContact CD1-CD2 3.46Å; F475-F537 AromaticContact CD1-CE2 3.31Å; F475-F537 HydrophobicContact CD1-CE2 3.31Å; F475-F537 HydrophobicContact CD1-CG 4.25Å; F475-F537 HydrophobicContact CD1-CZ 4Å; F475-F537 HydrophobicContact CE1-CD2 4.15Å; F475-F537 AromaticContact CE1-CE2 3.51Å; F475-F537 HydrophobicContact CE1-CE2 3.51Å; F475-F537 AromaticContact CE1-CZ 3.92Å; F475-F537 HydrophobicContact CE1-CZ 3.92Å; F475-F537 AromaticContact CG-CD2 3.89Å; F475-F537 HydrophobicContact CG-CD2 3.89Å; F475-F537 HydrophobicContact CG-CE2 4.01Å; F475-F537 HydrophobicContact CZ-CE2 4.34Å; F475-N538 CarbonylContact O-C 3.39Å; F475-N538 WeakPolarHBondContact O-CA 3.49Å; F475-N538 PolarHBondContact O-N 2.52Å
476N79.8Confident76.9Confident50 Ų5023.8 Ų23.827%0.26716%0.155SC..EExtended strand (participates in β ladder)trans-114.4107174.3-160.7-39.6000112.4F413 Q415 G474 N538F413-N476 PolarHBondContact O-N 3.08Å; Q415-N476 PolarHBondContact N-O 3.11Å; G474-N476 PolarHBondContact O-N 3.23Å; N476-N538 WeakPolarHBondContact CA-O 3.45Å
477Q77.7Confident77.4Confident0 Ų024.2 Ų24.20%016%0.16CC..EExtended strand (participates in β ladder)trans-113.889.1171.6-170.7-179.392.400112.3Q415 F475 K479 N538 Q539 S540Q415-Q477 WeakPolarHBondContact O-CA 3.39Å; F475-Q477 HydrophobicContact CD1-CB 4.33Å; F475-Q477 HydrophobicContact CE1-CB 3.45Å; F475-Q477 VanDerWaalsContact CE1-CB 3.45Å; F475-Q477 HydrophobicContact CZ-CB 3.8Å; Q477-K479 HydrophobicContact CG-CD 4.2Å; Q477-K479 HydrophobicContact CG-CG 4.21Å; Q477-N538 PolarHBondContact N-O 3.4Å; Q477-Q539 HydrophobicContact CB-CG 4.48Å; Q477-S540 PolarHBondContact O-N 3.3Å
478S69.4Low77.9Confident40 Ų4024.4 Ų24.428%0.2816%0.162SC..EExtended strand (participates in β ladder)trans-95.9106.7176.957.30000112.1Q415 S416 K417 S540Q415-S478 PolarHBondContact O-N 3.49Å; Q415-S478 VanDerWaalsContact O-N 3.13Å; S416-S478 WeakPolarHBondContact CA-O 3.5Å; S416-S478 WeakPolarHBondContact CB-OG 3.33Å; K417-S478 PolarHBondContact N-O 2.87Å; K417-S478 VanDerWaalsContact N-O 3.12Å; S478-S540 WeakPolarHBondContact CA-O 3.47Å
479K62.5Low78.3Confident8 Ų824.7 Ų24.74%0.03517%0.165CC..EExtended strand (participates in β ladder)trans-121.5134.8-178.1-65.1-178.3175.51510113.8K417 Y440 Q477 S540 K541 S542K417-K479 HydrophobicContact CB-CG 4.29Å; Y440-K479 PolarHBondContact OH-NZ 2.82Å; Q477-K479 HydrophobicContact CG-CD 4.2Å; Q477-K479 HydrophobicContact CG-CG 4.21Å; K479-S540 PolarHBondContact N-O 2.97Å; K479-S540 VanDerWaalsContact N-O 3.08Å; K479-K541 HydrophobicContact CB-CG 4.2Å; K479-K541 WeakPolarHBondContact O-CA 3.44Å; K479-S542 PolarHBondContact O-N 3.45Å; K479-S542 PolarHBondContact O-OG 2.95Å
480S59.8Low78.7Confident62 Ų6224.7 Ų24.743%0.43417%0.165SC..SBendtrans-88.6-1176.243.20000115.6K417 S418 S542K417-S480 PolarHBondContact O-N 3.06Å; K417-S480 PolarHBondContact O-OG 3.13Å; S418-S480 WeakPolarHBondContact CA-OG 3.47Å; S418-S480 PolarHBondContact O-OG 3.2Å; S480-S542 WeakPolarHBondContact CA-OG 3.41Å; S480-S542 PolarHBondContact O-OG 3.1Å
481S71.3Confident78.8Confident24 Ų2424.7 Ų24.717%0.16817%0.166CC..  trans171.7141.9154.2420000110.9S419 L420 S543S419-S481 WeakPolarHBondContact CA-O 3.36Å; L420-S481 PolarHBondContact N-O 2.99Å; S481-S543 WeakPolarHBondContact CA-O 3.34Å
482L77Confident78.7Confident1 Ų128.6 Ų28.61%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-118.7112.9167.8169.755.3000108.5L420 V484 Y502 S543 L544 N545L420-L482 HydrophobicContact CB-CD1 3.79Å; L420-L482 HydrophobicContact CD2-CD1 3.51Å; L420-L482 HydrophobicContact CG-CD1 3.44Å; L420-L482 VanDerWaalsContact CG-CD1 3.44Å; L420-L482 WeakPolarHBondContact O-CA 3.18Å; L482-V484 HydrophobicContact CD1-CG2 3.45Å; L482-V484 VanDerWaalsContact CD1-CG2 3.45Å; L482-V484 HydrophobicContact CD2-CG2 4.47Å; L482-V484 HydrophobicContact CG-CG2 3.9Å; L482-Y502 HydrophobicContact CD2-CD2 4.31Å; L482-Y502 HydrophobicContact CD2-CE2 3.54Å; L482-S543 PolarHBondContact N-O 3.42Å; L482-L544 HydrophobicContact CB-CD1 3.79Å; L482-L544 HydrophobicContact CD2-CD1 3.5Å; L482-L544 HydrophobicContact CG-CD1 3.43Å; L482-L544 VanDerWaalsContact CG-CD1 3.43Å; L482-L544 WeakPolarHBondContact O-CA 3.45Å; L482-N545 PolarHBondContact O-N 2.93Å
483N84.6Confident78.6Confident51 Ų5125.6 Ų25.627%0.27317%0.171SC..EExtended strand (participates in β ladder)trans-114.9115.4176.8-57.3-58.9000109.1L420 N421 V422 N545L420-N483 PolarHBondContact O-N 3.43Å; N421-N483 WeakPolarHBondContact CA-O 3.43Å; N421-N483 WeakPolarHBondContact OD1-CB 3.43Å; N421-N483 PolarHBondContact OD1-ND2 2.78Å; V422-N483 PolarHBondContact N-O 3.33Å; N483-N545 WeakPolarHBondContact CA-O 3.45Å; N483-N545 WeakPolarHBondContact OD1-CB 3.42Å; N483-N545 PolarHBondContact OD1-ND2 3.28Å
484V86.5Confident79Confident5 Ų527.5 Ų27.53%0.0319%0.185CC..EExtended strand (participates in β ladder)trans-121120179.6-172.90000109V422 F438 L482 V486 F500 N545 V546 A547V422-V484 HydrophobicContact CB-CG1 4.45Å; V422-V484 WeakPolarHBondContact O-CA 3.27Å; F438-V484 HydrophobicContact CE1-CG1 3.86Å; F438-V484 HydrophobicContact CE2-CG1 3.81Å; F438-V484 HydrophobicContact CZ-CG1 3.42Å; F438-V484 VanDerWaalsContact CZ-CG1 3.42Å; F438-V484 HydrophobicContact CZ-CG2 4.43Å; L482-V484 HydrophobicContact CD1-CG2 3.45Å; L482-V484 VanDerWaalsContact CD1-CG2 3.45Å; L482-V484 HydrophobicContact CD2-CG2 4.47Å; L482-V484 HydrophobicContact CG-CG2 3.9Å; V484-V486 HydrophobicContact CG1-CG2 3.97Å; V484-F500 HydrophobicContact CB-CE2 4.46Å; V484-F500 HydrophobicContact CG1-CE2 3.64Å; V484-F500 HydrophobicContact CG1-CZ 4.13Å; V484-N545 PolarHBondContact N-O 3.13Å; V484-V546 HydrophobicContact CB-CG1 4.45Å; V484-V546 WeakPolarHBondContact O-CA 3.38Å; V484-A547 PolarHBondContact O-N 3.05Å
485A89Confident79.5Confident49 Ų4928.4 Ų28.441%0.40519%0.187SC..EExtended strand (participates in β ladder)trans-120.1113.4176.600000109.3V422 A423 V424 A547V422-A485 PolarHBondContact O-N 2.97Å; A423-A485 WeakPolarHBondContact CA-O 3.31Å; V424-A485 PolarHBondContact N-O 3.39Å; A485-A547 WeakPolarHBondContact CA-O 3.42Å
486V90.9Very high79.8Confident2 Ų228.4 Ų28.41%0.01219%0.187CC..EExtended strand (participates in β ladder)trans-117.3123.9178.1-174.60000108.7V424 Q436 F438 V484 F500 A547 V548 S549V424-V486 HydrophobicContact CB-CG2 4.49Å; V424-V486 WeakPolarHBondContact O-CA 3.14Å; Q436-V486 VanDerWaalsContact OE1-CG1 3.23Å; F438-V486 HydrophobicContact CB-CG2 4.25Å; F438-V486 HydrophobicContact CD2-CG2 3.72Å; F438-V486 HydrophobicContact CE2-CG2 4.23Å; F438-V486 HydrophobicContact CG-CG2 3.95Å; V484-V486 HydrophobicContact CG1-CG2 3.97Å; V486-F500 HydrophobicContact CG2-CD2 3.94Å; V486-F500 HydrophobicContact CG2-CE2 4.01Å; V486-A547 PolarHBondContact N-O 2.85Å; V486-V548 HydrophobicContact CB-CG2 4.49Å; V486-V548 WeakPolarHBondContact O-CA 3.48Å; V486-S549 PolarHBondContact O-N 3.11Å; V486-S549 PolarHBondContact O-OG 2.91Å
487S89.9Confident80.3Confident48 Ų4828.3 Ų28.334%0.33619%0.186SC..EExtended strand (participates in β ladder)trans-131.2135.3179.8610000111.3V424 S425 A426 Q436 S549V424-S487 PolarHBondContact O-N 2.96Å; V424-S487 PolarHBondContact O-OG 2.54Å; S425-S487 WeakPolarHBondContact CA-O 3.48Å; S425-S487 WeakPolarHBondContact CB-OG 3.46Å; A426-S487 PolarHBondContact N-O 2.92Å; Q436-S487 PolarHBondContact NE2-O 3.27Å; Q436-S487 VanDerWaalsContact NE2-O 3.09Å; S487-S549 WeakPolarHBondContact CA-O 3.47Å; S487-S549 WeakPolarHBondContact CB-OG 3.41Å
488A88.1Confident80.9Confident6 Ų628.6 Ų28.65%0.0519%0.187CC..EExtended strand (participates in β ladder)trans-140141176.300000111.7A426 F434 Q436 F496 S549 A550 S551A426-A488 WeakPolarHBondContact O-CA 3.42Å; F434-A488 HydrophobicContact CE1-CB 3.39Å; F434-A488 HydrophobicContact CZ-CB 3.41Å; F434-A488 VanDerWaalsContact CZ-CB 3.41Å; Q436-A488 VanDerWaalsContact OE1-CB 3.25Å; A488-F496 HydrophobicContact CB-CE2 3.82Å; A488-F496 HydrophobicContact CB-CZ 3.51Å; A488-S549 PolarHBondContact N-O 3.34Å; A488-A550 WeakPolarHBondContact O-CA 3.48Å; A488-S551 PolarHBondContact O-N 3.42Å; A488-S551 VanDerWaalsContact O-N 3.09Å
489S85.3Confident81.7Confident38 Ų3828.1 Ų28.127%0.26619%0.189SC..EExtended strand (participates in β ladder)trans-142.4120.7-178.4-174.10000111.1A426 S427 N428 P491 S551A426-S489 PolarHBondContact O-N 3.21Å; A426-S489 VanDerWaalsContact O-N 3.1Å; S427-S489 WeakPolarHBondContact CA-O 3.46Å; N428-S489 PolarHBondContact N-O 2.88Å; S489-P491 WeakPolarHBondContact OG-CD 3.38Å; S489-S551 WeakPolarHBondContact CA-O 3.43Å
490N84.8Confident83.1Confident0 Ų027.9 Ų27.90%019%0.188CC..  trans-129.676170.1-173.2-0.6000110.8N428 G431 F434 V492 G493 F496 S551 N552N428-N490 WeakPolarHBondContact O-CA 3.39Å; N428-N490 PolarHBondContact O-OD1 2.93Å; G431-N490 PolarHBondContact O-ND2 2.95Å; G431-N490 PolarHBondContact O-OD1 2.97Å; F434-N490 HydrophobicContact CB-CB 3.98Å; F434-N490 VanDerWaalsContact CB-ND2 3.34Å; F434-N490 WeakPolarHBondContact CB-ND2 3.46Å; F434-N490 HydrophobicContact CD2-CB 4.23Å; F434-N490 HydrophobicContact CG-CB 4.14Å; N490-V492 VanDerWaalsContact C-N 3.29Å; N490-V492 PolarHBondContact O-N 3.32Å; N490-V492 VanDerWaalsContact O-N 3.17Å; N490-G493 WeakPolarHBondContact ND2-CA 3.38Å; N490-G493 WeakPolarHBondContact OD1-CA 3.08Å; N490-G493 PolarHBondContact OD1-N 3.12Å; N490-F496 HydrophobicContact CB-CD2 3.7Å; N490-F496 HydrophobicContact CB-CE2 4.28Å; N490-S551 PolarHBondContact N-O 2.86Å; N490-N552 WeakPolarHBondContact O-CA 3.31Å; N490-N552 PolarHBondContact O-OD1 2.83Å
491P78.2Confident84.6Confident38 Ų3827.7 Ų27.725%0.24718%0.184CC..THydrogen-bonded Turntrans-46.8-39.9-178.1-30.929000116.9S489 P553 V554S489-P491 WeakPolarHBondContact OG-CD 3.38Å; P491-P553 HydrophobicContact CB-CG 4.38Å; P491-V554 WeakPolarHBondContact O-CB 3.32Å; P491-V554 VanDerWaalsContact O-CG2 3.3Å; P491-V554 WeakPolarHBondContact O-CG2 3.41Å; P491-V554 PolarHBondContact O-N 2.89Å; P491-V554 VanDerWaalsContact O-N 3.07Å
492V73.8Confident85.4Confident84 Ų8426.7 Ų26.751%0.50918%0.177SC..THydrogen-bonded Turntrans-129.243.5-169.2-160.60000112.2P429 N490P429-V492 WeakPolarHBondContact O-CB 2.88Å; P429-V492 WeakPolarHBondContact O-CG2 3.01Å; P429-V492 PolarHBondContact O-N 3.44Å; P429-V492 VanDerWaalsContact O-N 3.12Å; N490-V492 VanDerWaalsContact C-N 3.29Å; N490-V492 PolarHBondContact O-N 3.32Å; N490-V492 VanDerWaalsContact O-N 3.17Å
493G71.5Confident85.9Confident1 Ų127.6 Ų27.61%0.0119%0.186CC..  trans-119.4137.2-17400000116.8G431 N490 T495 N552 G555G431-G493 WeakPolarHBondContact O-CA 3.39Å; N490-G493 WeakPolarHBondContact ND2-CA 3.38Å; N490-G493 WeakPolarHBondContact OD1-CA 3.08Å; N490-G493 PolarHBondContact OD1-N 3.12Å; G493-T495 PolarHBondContact O-N 3.17Å; G493-N552 PolarHBondContact O-ND2 2.94Å; G493-N552 VanDerWaalsContact O-ND2 3.11Å; G493-N552 PolarHBondContact O-OD1 3.39Å; G493-G555 WeakPolarHBondContact O-CA 3.3Å
494S81.7Confident86Confident49 Ų4925.2 Ų25.234%0.34317%0.173SC..SBendtrans-60.7-38.8-178.839.40000113.7S432 S556 T557S432-S494 WeakPolarHBondContact CA-OG 3.35Å; S432-S494 WeakPolarHBondContact CB-OG 3.29Å; S432-S494 PolarHBondContact O-N 3.16Å; S432-S494 VanDerWaalsContact O-N 3.14Å; S432-S494 PolarHBondContact O-OG 2.84Å; S494-S556 WeakPolarHBondContact CA-OG 3.25Å; S494-S556 PolarHBondContact O-N 3.05Å; S494-S556 PolarHBondContact O-OG 3.18Å; S494-T557 PolarHBondContact O-N 3.31Å
495T84.5Confident86Confident41 Ų4127.2 Ų27.225%0.25219%0.186SC..EExtended strand (participates in β ladder)trans-133.3127.3-175-51.30000110.9S432 T433 F434 G493 T557S432-T495 PolarHBondContact O-N 2.58Å; T433-T495 WeakPolarHBondContact CA-O 3.46Å; F434-T495 PolarHBondContact N-O 2.95Å; G493-T495 PolarHBondContact O-N 3.17Å; T495-T557 WeakPolarHBondContact CA-O 2.93Å
496F89.5Confident85.9Confident0 Ų024.9 Ų24.90%017%0.166CC..EExtended strand (participates in β ladder)trans-127.1123.9176.5-179.5-79.7000110.4F434 A488 N490 Q498 A550 N552 T557 F558 N559F434-F496 HydrophobicContact CB-CD2 4.16Å; F434-F496 AromaticContact CD1-CD2 3.5Å; F434-F496 HydrophobicContact CD1-CD2 3.5Å; F434-F496 AromaticContact CD1-CE2 3.43Å; F434-F496 HydrophobicContact CD1-CE2 3.43Å; F434-F496 VanDerWaalsContact CD1-CE2 3.43Å; F434-F496 HydrophobicContact CD1-CG 4.28Å; F434-F496 HydrophobicContact CD1-CZ 4.12Å; F434-F496 HydrophobicContact CE1-CD2 4.12Å; F434-F496 AromaticContact CE1-CE2 3.55Å; F434-F496 HydrophobicContact CE1-CE2 3.55Å; F434-F496 AromaticContact CE1-CZ 3.99Å; F434-F496 HydrophobicContact CE1-CZ 3.99Å; F434-F496 AromaticContact CG-CD2 3.96Å; F434-F496 HydrophobicContact CG-CD2 3.96Å; F434-F496 HydrophobicContact CG-CE2 4.14Å; F434-F496 HydrophobicContact CZ-CE2 4.29Å; A488-F496 HydrophobicContact CB-CE2 3.82Å; A488-F496 HydrophobicContact CB-CZ 3.51Å; N490-F496 HydrophobicContact CB-CD2 3.7Å; N490-F496 HydrophobicContact CB-CE2 4.28Å; F496-Q498 HydrophobicContact CE1-CB 3.67Å; F496-Q498 HydrophobicContact CZ-CB 4.16Å; F496-A550 HydrophobicContact CE1-CB 3.4Å; F496-A550 VanDerWaalsContact CE1-CB 3.4Å; F496-A550 HydrophobicContact CZ-CB 3.39Å; F496-N552 HydrophobicContact CB-CB 4.08Å; F496-N552 VanDerWaalsContact CB-ND2 3.34Å; F496-N552 WeakPolarHBondContact CB-ND2 3.34Å; F496-N552 HydrophobicContact CD2-CB 4.33Å; F496-N552 HydrophobicContact CG-CB 4.23Å; F496-T557 PolarHBondContact N-O 2.83Å; F496-F558 HydrophobicContact CB-CD2 4.14Å; F496-F558 AromaticContact CD1-CD2 3.49Å; F496-F558 HydrophobicContact CD1-CD2 3.49Å; F496-F558 VanDerWaalsContact CD1-CD2 3.49Å; F496-F558 AromaticContact CD1-CE2 3.42Å; F496-F558 HydrophobicContact CD1-CE2 3.42Å; F496-F558 VanDerWaalsContact CD1-CE2 3.42Å; F496-F558 HydrophobicContact CD1-CG 4.25Å; F496-F558 HydrophobicContact CD1-CZ 4.09Å; F496-F558 HydrophobicContact CE1-CD2 4.11Å; F496-F558 AromaticContact CE1-CE2 3.53Å; F496-F558 HydrophobicContact CE1-CE2 3.53Å; F496-F558 AromaticContact CE1-CZ 3.95Å; F496-F558 HydrophobicContact CE1-CZ 3.95Å; F496-F558 AromaticContact CG-CD2 3.93Å; F496-F558 HydrophobicContact CG-CD2 3.93Å; F496-F558 HydrophobicContact CG-CE2 4.11Å; F496-F558 HydrophobicContact CZ-CE2 4.26Å; F496-N559 PolarHBondContact O-N 2.7Å
497N89.9Confident85.5Confident47 Ų4727 Ų2725%0.25118%0.18SC..EExtended strand (participates in β ladder)trans-126.5123.8175.6-57.1-52.3000109.9F434 N435 Q436 N559F434-N497 PolarHBondContact O-N 2.67Å; N435-N497 WeakPolarHBondContact CA-O 3.41Å; N435-N497 WeakPolarHBondContact OD1-CB 3.35Å; N435-N497 PolarHBondContact OD1-ND2 2.87Å; Q436-N497 PolarHBondContact N-O 3.34Å; N497-N559 WeakPolarHBondContact CA-O 3.48Å; N497-N559 PolarHBondContact OD1-ND2 3.2Å
498Q90.3Very high84.7Confident7 Ų725 Ų253%0.03317%0.166CC..EExtended strand (participates in β ladder)trans-127.1125.3170.9-178.2-175.563.600109.9Q436 F496 S549 A550 N559 Q560 G561Q436-Q498 CarbonylContact O-C 3.59Å; Q436-Q498 WeakPolarHBondContact O-CA 3.4Å; F496-Q498 HydrophobicContact CE1-CB 3.67Å; F496-Q498 HydrophobicContact CZ-CB 4.16Å; Q498-S549 PolarHBondContact NE2-O 2.85Å; Q498-S549 VanDerWaalsContact NE2-O 3.13Å; Q498-A550 VanDerWaalsContact OE1-CB 3.27Å; Q498-N559 PolarHBondContact N-O 3.49Å; Q498-Q560 CarbonylContact O-C 3.53Å; Q498-Q560 WeakPolarHBondContact O-CA 3.33Å; Q498-G561 PolarHBondContact O-N 2.86Å
499G88Confident83.9Confident30 Ų3024.7 Ų24.731%0.30916%0.164SC..EExtended strand (participates in β ladder)trans-118.1135.1174.600000111.6Q436 F438Q436-G499 PolarHBondContact O-N 2.69Å; F438-G499 PolarHBondContact N-O 3.12Å
500F91.7Very high83.7Confident2 Ų226.4 Ų26.41%0.00917%0.169CC..EExtended strand (participates in β ladder)trans-127.3121.2171.4-176.3-81.1000109.6F438 V484 V486 V546 V548 G561 F562 T563F438-F500 HydrophobicContact CB-CD2 4.01Å; F438-F500 AromaticContact CD1-CD2 3.46Å; F438-F500 HydrophobicContact CD1-CD2 3.46Å; F438-F500 VanDerWaalsContact CD1-CD2 3.46Å; F438-F500 AromaticContact CD1-CE2 3.24Å; F438-F500 HydrophobicContact CD1-CE2 3.24Å; F438-F500 HydrophobicContact CD1-CG 4.26Å; F438-F500 AromaticContact CD1-CZ 3.89Å; F438-F500 HydrophobicContact CD1-CZ 3.89Å; F438-F500 HydrophobicContact CE1-CD2 4.18Å; F438-F500 AromaticContact CE1-CE2 3.48Å; F438-F500 HydrophobicContact CE1-CE2 3.48Å; F438-F500 VanDerWaalsContact CE1-CE2 3.48Å; F438-F500 AromaticContact CE1-CZ 3.84Å; F438-F500 HydrophobicContact CE1-CZ 3.84Å; F438-F500 AromaticContact CG-CD2 3.86Å; F438-F500 HydrophobicContact CG-CD2 3.86Å; F438-F500 AromaticContact CG-CE2 3.92Å; F438-F500 HydrophobicContact CG-CE2 3.92Å; F438-F500 HydrophobicContact CZ-CE2 4.3Å; F438-F500 CarbonylContact O-C 3.55Å; F438-F500 WeakPolarHBondContact O-CA 2.84Å; V484-F500 HydrophobicContact CB-CE2 4.46Å; V484-F500 HydrophobicContact CG1-CE2 3.64Å; V484-F500 HydrophobicContact CG1-CZ 4.13Å; V486-F500 HydrophobicContact CG2-CD2 3.94Å; V486-F500 HydrophobicContact CG2-CE2 4.01Å; F500-V546 HydrophobicContact CE1-CG1 3.88Å; F500-V546 HydrophobicContact CE2-CG1 3.83Å; F500-V546 HydrophobicContact CZ-CG1 3.43Å; F500-V546 VanDerWaalsContact CZ-CG1 3.43Å; F500-V546 HydrophobicContact CZ-CG2 4.45Å; F500-V548 HydrophobicContact CB-CG2 4.3Å; F500-V548 HydrophobicContact CD2-CG2 3.73Å; F500-V548 HydrophobicContact CE2-CG2 4.21Å; F500-V548 HydrophobicContact CG-CG2 3.98Å; F500-G561 PolarHBondContact N-O 3.14Å; F500-F562 HydrophobicContact CB-CD2 4Å; F500-F562 AromaticContact CD1-CD2 3.45Å; F500-F562 HydrophobicContact CD1-CD2 3.45Å; F500-F562 VanDerWaalsContact CD1-CD2 3.45Å; F500-F562 AromaticContact CD1-CE2 3.24Å; F500-F562 HydrophobicContact CD1-CE2 3.24Å; F500-F562 HydrophobicContact CD1-CG 4.27Å; F500-F562 AromaticContact CD1-CZ 3.91Å; F500-F562 HydrophobicContact CD1-CZ 3.91Å; F500-F562 HydrophobicContact CE1-CD2 4.17Å; F500-F562 AromaticContact CE1-CE2 3.46Å; F500-F562 HydrophobicContact CE1-CE2 3.46Å; F500-F562 VanDerWaalsContact CE1-CE2 3.46Å; F500-F562 AromaticContact CE1-CZ 3.85Å; F500-F562 HydrophobicContact CE1-CZ 3.85Å; F500-F562 AromaticContact CG-CD2 3.85Å; F500-F562 HydrophobicContact CG-CD2 3.85Å; F500-F562 AromaticContact CG-CE2 3.92Å; F500-F562 HydrophobicContact CG-CE2 3.92Å; F500-F562 HydrophobicContact CZ-CE2 4.29Å; F500-F562 WeakPolarHBondContact O-CA 3.37Å; F500-T563 PolarHBondContact O-N 3.11Å
501T91.1Very high83.5Confident59 Ų5926.5 Ų26.536%0.36217%0.17SC..EExtended strand (participates in β ladder)trans-126.2125.9176.7-56.10000109.7F438 T439 Y440 T563F438-T501 PolarHBondContact O-N 3.06Å; T439-T501 WeakPolarHBondContact CA-O 3.44Å; Y440-T501 PolarHBondContact N-O 3.35Å; T501-T563 WeakPolarHBondContact CA-O 3.25Å
502Y87.7Confident83.9Confident2 Ų226.2 Ų26.21%0.00817%0.169CC..EExtended strand (participates in β ladder)trans-118.4117.5167.8179.9-78.2000107.9Y440 L482 V504 K541 T563 Y564 G565Y440-Y502 AromaticContact CD1-CD2 3.42Å; Y440-Y502 HydrophobicContact CD1-CD2 3.42Å; Y440-Y502 VanDerWaalsContact CD1-CD2 3.42Å; Y440-Y502 AromaticContact CD1-CE2 3.2Å; Y440-Y502 HydrophobicContact CD1-CE2 3.2Å; Y440-Y502 HydrophobicContact CD1-CG 4.21Å; Y440-Y502 AromaticContact CD1-CZ 3.84Å; Y440-Y502 HydrophobicContact CE1-CD2 4.15Å; Y440-Y502 AromaticContact CE1-CE2 3.44Å; Y440-Y502 HydrophobicContact CE1-CE2 3.44Å; Y440-Y502 VanDerWaalsContact CE1-CE2 3.44Å; Y440-Y502 AromaticContact CE1-CZ 3.78Å; Y440-Y502 AromaticContact CG-CD2 3.83Å; Y440-Y502 HydrophobicContact CG-CD2 3.83Å; Y440-Y502 AromaticContact CG-CE2 3.9Å; Y440-Y502 HydrophobicContact CG-CE2 3.9Å; Y440-Y502 CarbonylContact O-C 3.57Å; Y440-Y502 WeakPolarHBondContact O-CA 3.3Å; L482-Y502 HydrophobicContact CD2-CD2 4.31Å; L482-Y502 HydrophobicContact CD2-CE2 3.54Å; Y502-V504 HydrophobicContact CE1-CG2 3.74Å; Y502-V504 WeakPolarHBondContact OH-CG2 3.45Å; Y502-K541 PolarHBondContact OH-NZ 2.68Å; Y502-T563 PolarHBondContact N-O 3.04Å; Y502-Y564 AromaticContact CD1-CD2 3.43Å; Y502-Y564 HydrophobicContact CD1-CD2 3.43Å; Y502-Y564 VanDerWaalsContact CD1-CD2 3.43Å; Y502-Y564 AromaticContact CD1-CE2 3.2Å; Y502-Y564 HydrophobicContact CD1-CE2 3.2Å; Y502-Y564 HydrophobicContact CD1-CG 4.26Å; Y502-Y564 AromaticContact CD1-CZ 3.86Å; Y502-Y564 HydrophobicContact CE1-CD2 4.16Å; Y502-Y564 AromaticContact CE1-CE2 3.44Å; Y502-Y564 HydrophobicContact CE1-CE2 3.44Å; Y502-Y564 VanDerWaalsContact CE1-CE2 3.44Å; Y502-Y564 AromaticContact CE1-CZ 3.82Å; Y502-Y564 AromaticContact CG-CD2 3.87Å; Y502-Y564 HydrophobicContact CG-CD2 3.87Å; Y502-Y564 AromaticContact CG-CE2 3.93Å; Y502-Y564 HydrophobicContact CG-CE2 3.93Å; Y502-Y564 CarbonylContact O-C 3.51Å; Y502-Y564 WeakPolarHBondContact O-CA 3.49Å; Y502-G565 PolarHBondContact O-N 3.1Å
503G87.7Confident84.4Confident20 Ų2022.2 Ų22.221%0.20615%0.145CC..EExtended strand (participates in β ladder)trans-127.3137.4177.900000111.1Y440 G441 V442 G565Y440-G503 PolarHBondContact O-N 3.36Å; G441-G503 WeakPolarHBondContact CA-O 3.31Å; V442-G503 PolarHBondContact N-O 2.74Å; V442-G503 VanDerWaalsContact N-O 3.15Å; G503-G565 WeakPolarHBondContact CA-O 3.36Å
504V86Confident85.1Confident1 Ų124.6 Ų24.61%0.00616%0.157CC..EExtended strand (participates in β ladder)trans-131.1127.2161.9177.80000106.3V442 F475 Y502 F537 G565 V566 T567V442-V504 HydrophobicContact CB-CG2 4.4Å; V442-V504 CarbonylContact O-C 3.58Å; V442-V504 VanDerWaalsContact O-CA 3.29Å; V442-V504 WeakPolarHBondContact O-CA 3.09Å; F475-V504 HydrophobicContact CE1-CG1 3.76Å; F475-V504 HydrophobicContact CE2-CG1 4Å; F475-V504 HydrophobicContact CZ-CG1 3.32Å; Y502-V504 HydrophobicContact CE1-CG2 3.74Å; Y502-V504 WeakPolarHBondContact OH-CG2 3.45Å; V504-F537 HydrophobicContact CG1-CE2 3.92Å; V504-F537 HydrophobicContact CG1-CZ 4.17Å; V504-G565 PolarHBondContact N-O 2.9Å; V504-G565 VanDerWaalsContact N-O 3.15Å; V504-V566 HydrophobicContact CB-CG2 4.37Å; V504-V566 CarbonylContact O-C 3.59Å; V504-V566 VanDerWaalsContact O-CA 3.29Å; V504-V566 WeakPolarHBondContact O-CA 3.47Å; V504-T567 PolarHBondContact O-N 2.98Å
505T87Confident85.2Confident47 Ų4722.4 Ų22.429%0.28814%0.142SC..EExtended strand (participates in β ladder)trans-125.9128.5177.4-60.50000107.3V442 T443 D444 T567V442-T505 PolarHBondContact O-N 2.89Å; T443-T505 WeakPolarHBondContact CA-O 3.46Å; D444-T505 PolarHBondContact N-O 2.93Å; T505-T567 WeakPolarHBondContact CA-O 3.37Å
506D85.7Confident85.4Confident0 Ų023.3 Ų23.30%015%0.148CC..  trans-114.4140.9166.2-170.116000107.3F475 F537 T567 T569F475-D506 HydrophobicContact CB-CB 4.12Å; F475-D506 VanDerWaalsContact CB-CG 3.41Å; F475-D506 WeakPolarHBondContact CB-OD2 3.49Å; F475-D506 HydrophobicContact CD2-CB 4.42Å; F475-D506 HydrophobicContact CG-CB 4.3Å; D506-F537 HydrophobicContact CB-CD2 3.61Å; D506-F537 HydrophobicContact CB-CE2 4.1Å; D506-T567 PolarHBondContact N-O 2.85Å; D506-T569 PolarHBondContact O-N 3.29Å
507T83Confident85.1Confident47 Ų4723.4 Ų23.429%0.28815%0.148SC..  trans-147.4101.2-177.6-580000106.6D444 A446D444-T507 PolarHBondContact O-N 3.1Å; A446-T507 WeakPolarHBondContact CB-O 3.2Å; A446-T507 PolarHBondContact N-O 2.8Å
508A73.9Confident84.9Confident5 Ų523.8 Ų23.84%0.04115%0.152CC..PPolyproline II helixtrans-74.6166.5-178.700000111.1D535 T569 P571A508-D535 HydrophobicContact CB-CB 4.12Å; A508-D535 WeakPolarHBondContact CB-OD2 3.42Å; A508-T569 WeakPolarHBondContact CB-O 3.25Å; A508-T569 PolarHBondContact N-O 3.43Å; A508-P571 HydrophobicContact CB-CB 4.06Å; A508-P571 HydrophobicContact CB-CG 4.1Å
509P70.2Confident84.3Confident1 Ų123.5 Ų23.51%0.00615%0.151CC..PPolyproline II helixtrans-91.6131.9-164.529-26.8000114.2A446 P447 V511 P571A446-P509 HydrophobicContact CB-CB 3.94Å; A446-P509 VanDerWaalsContact CB-CD 3.44Å; A446-P509 HydrophobicContact CB-CG 3.86Å; P447-P509 WeakPolarHBondContact O-CB 3.43Å; P509-V511 VanDerWaalsContact O-CG2 3.31Å; P509-V511 WeakPolarHBondContact O-CG2 3.24Å; P509-V511 PolarHBondContact O-N 3.04Å; P509-P571 WeakPolarHBondContact O-CB 2.87Å
510D81Confident83.7Confident73 Ų7324.2 Ų24.239%0.3915%0.151SC..PPolyproline II helixtrans-65.9131.5173.4-75-10.6000110.3D448 V449 D572D448-D510 WeakPolarHBondContact CA-O 3.2Å; D448-D510 WeakPolarHBondContact OD1-CB 3.44Å; D448-D510 PolarHBondContact OD1-N 3.46Å; V449-D510 PolarHBondContact N-O 2.92Å; D510-D572 CarbonylContact C-O 3.57Å; D510-D572 WeakPolarHBondContact CA-O 2.98Å; D510-D572 WeakPolarHBondContact OD1-CB 3.37Å; D510-D572 PolarHBondContact OD1-N 2.94Å
511V80.9Confident82.4Confident2 Ų226.8 Ų26.81%0.01217%0.173CC..EExtended strand (participates in β ladder)trans-114.5116.9-175.9-174.30000110.7V449 T469 T471 P509 T531 T533 D572 V573 S574V449-V511 HydrophobicContact CB-CG2 4.44Å; V449-V511 WeakPolarHBondContact O-CA 3.4Å; T469-V511 HydrophobicContact CG2-CG1 3.89Å; T471-V511 HydrophobicContact CG2-CG1 4.23Å; T471-V511 HydrophobicContact CG2-CG2 3.57Å; T471-V511 WeakPolarHBondContact OG1-CG2 3.44Å; P509-V511 VanDerWaalsContact O-CG2 3.31Å; P509-V511 WeakPolarHBondContact O-CG2 3.24Å; P509-V511 PolarHBondContact O-N 3.04Å; V511-T531 HydrophobicContact CG1-CG2 3.85Å; V511-T533 HydrophobicContact CB-CG2 3.86Å; V511-T533 HydrophobicContact CG1-CG2 4.12Å; V511-T533 HydrophobicContact CG2-CG2 3.53Å; V511-D572 PolarHBondContact N-O 3.11Å; V511-V573 HydrophobicContact CB-CG1 4.38Å; V511-V573 HydrophobicContact CB-CG2 4.29Å; V511-V573 CarbonylContact O-C 3.6Å; V511-V573 WeakPolarHBondContact O-CA 3.46Å; V511-S574 PolarHBondContact O-N 3.27Å
512S86.7Confident81.3Confident33 Ų3324.1 Ų24.123%0.23116%0.157CC..EExtended strand (participates in β ladder)trans-115.3120.5173.3650000111.6V449 S450 T451 S574V449-S512 PolarHBondContact O-N 2.94Å; S450-S512 CarbonylContact C-O 3.53Å; S450-S512 WeakPolarHBondContact CA-O 3.43Å; S450-S512 WeakPolarHBondContact CA-OG 3.36Å; S450-S512 WeakPolarHBondContact CB-OG 3.44Å; T451-S512 PolarHBondContact N-O 3.4Å; S512-S574 WeakPolarHBondContact CA-O 3.43Å; S512-S574 WeakPolarHBondContact CA-OG 3.47Å; S512-S574 WeakPolarHBondContact CB-OG 3.47Å
513T85.1Confident80.5Confident0 Ų026.9 Ų26.90%017%0.174CC..EExtended strand (participates in β ladder)trans-119.2107.5174.3-60.90000109.5T451 T467 T469 T529 S574 T575 N576T451-T513 CarbonylContact O-C 3.6Å; T451-T513 WeakPolarHBondContact O-CA 3.37Å; T467-T513 HydrophobicContact CG2-CG2 4.04Å; T469-T513 PolarHBondContact OG1-OG1 2.94Å; T513-T529 HydrophobicContact CG2-CG2 4.1Å; T513-S574 PolarHBondContact N-O 3.23Å; T513-T575 WeakPolarHBondContact O-CA 3.27Å; T513-N576 PolarHBondContact O-N 2.95Å
514N86.6Confident80.1Confident50 Ų5028.7 Ų28.727%0.26718%0.179SC..EExtended strand (participates in β ladder)trans-112.9116.4-179.9-57.3-57000110.9T451 N452 S453 N576T451-N514 PolarHBondContact O-N 2.82Å; N452-N514 CarbonylContact C-O 3.52Å; N452-N514 WeakPolarHBondContact CA-O 3.41Å; N452-N514 WeakPolarHBondContact OD1-CB 3.45Å; N452-N514 PolarHBondContact OD1-ND2 3.42Å; S453-N514 PolarHBondContact N-O 3Å; N514-N576 WeakPolarHBondContact CA-O 3.4Å; N514-N576 WeakPolarHBondContact OD1-CB 3.49Å; N514-N576 PolarHBondContact OD1-ND2 3.18Å
515S83.7Confident79.9Confident4 Ų428.7 Ų28.73%0.02818%0.179CC..EExtended strand (participates in β ladder)trans-121118.7-179.2-72.40000111.1S453 N576 S577 T578S453-S515 CarbonylContact O-C 3.58Å; S453-S515 WeakPolarHBondContact O-CA 3.48Å; S515-N576 PolarHBondContact N-O 3.4Å; S515-S577 CarbonylContact O-C 3.58Å; S515-S577 WeakPolarHBondContact O-CA 3.38Å; S515-T578 PolarHBondContact O-N 2.87Å
516T87.4Confident79.8Confident59 Ų5928.8 Ų28.836%0.36218%0.179SC..EExtended strand (participates in β ladder)trans-111.7111.8171.8-59.70000109.4S453 T454 I455 T578S453-T516 PolarHBondContact O-N 2.9Å; T454-T516 CarbonylContact C-O 3.59Å; T454-T516 WeakPolarHBondContact CA-O 3.37Å; I455-T516 PolarHBondContact N-O 2.9Å; T516-T578 CarbonylContact C-O 3.43Å; T516-T578 WeakPolarHBondContact CA-O 3.32Å
517I84.5Confident79.7Confident2 Ų228.8 Ų28.81%0.0118%0.179CC..EExtended strand (participates in β ladder)trans-120.1121.7-175.8-56.6175.2000109.7I455 F463 F525 T527 T578 I579 T580I455-I517 HydrophobicContact CB-CG1 4.46Å; I455-I517 CarbonylContact O-C 3.55Å; I455-I517 WeakPolarHBondContact O-CA 3.27Å; F463-I517 HydrophobicContact CE1-CG2 3.66Å; F463-I517 HydrophobicContact CZ-CG2 3.58Å; I517-F525 HydrophobicContact CG2-CE2 4.23Å; I517-F525 HydrophobicContact CG2-CZ 4.02Å; I517-T527 HydrophobicContact CD1-CG2 3.93Å; I517-T578 PolarHBondContact N-O 2.94Å; I517-I579 HydrophobicContact CB-CG1 4.37Å; I517-I579 WeakPolarHBondContact O-CA 3.43Å; I517-T580 PolarHBondContact O-N 2.91Å
518T84.9Confident79.7Confident55 Ų5528.4 Ų28.434%0.33718%0.177SC..EExtended strand (participates in β ladder)trans-120.2119.3173.4-58.60000110.1I455 T456 A457 T580I455-T518 PolarHBondContact O-N 2.78Å; T456-T518 CarbonylContact C-O 3.6Å; T456-T518 WeakPolarHBondContact CA-O 3.35Å; A457-T518 PolarHBondContact N-O 3.37Å; T518-T580 WeakPolarHBondContact CA-O 3.47Å
519A78.1Confident80Confident1 Ų128.2 Ų28.21%0.00818%0.175CC..EExtended strand (participates in β ladder)trans-127135.7175.700000112.3A457 T522 F525 T580 A581 S582A457-A519 VanDerWaalsContact O-CA 3.27Å; A457-A519 WeakPolarHBondContact O-CA 3.43Å; A519-T522 HydrophobicContact CB-CG2 4.15Å; A519-F525 HydrophobicContact CB-CD2 3.82Å; A519-F525 HydrophobicContact CB-CE2 3.51Å; A519-T580 PolarHBondContact N-O 2.93Å; A519-A581 WeakPolarHBondContact O-CA 3.48Å; A519-S582 PolarHBondContact O-N 3Å; A519-S582 VanDerWaalsContact O-N 3.09Å
520S74Confident80.5Confident45 Ų4529.6 Ų29.632%0.31518%0.184SC..EExtended strand (participates in β ladder)trans-125.6133.7177.6500000111.9A457 S458 A459 S582A457-S520 PolarHBondContact O-N 2.92Å; S458-S520 WeakPolarHBondContact CB-OG 3.49Å; A459-S520 PolarHBondContact N-O 2.93Å; S520-S582 WeakPolarHBondContact CA-OG 3.07Å; S520-S582 WeakPolarHBondContact CB-OG 3.42Å
521A66Low80.5Confident57 Ų5726.1 Ų26.147%0.47117%0.165SC..EExtended strand (participates in β ladder)trans58.270.7179.600000114.1T460 S582T460-A521 PolarHBondContact N-O 3.41Å; T460-A521 VanDerWaalsContact N-O 3.14Å; A521-S582 PolarHBondContact N-O 3.26Å
522T66.6Low80.4Confident2 Ų227.6 Ų27.61%0.01217%0.174CC..EExtended strand (participates in β ladder)trans-125.3138.2-177.568.60000113.6T460 A519 A583 T584T460-T522 WeakPolarHBondContact O-CA 3.47Å; T460-T522 WeakPolarHBondContact OG1-CG2 3.35Å; A519-T522 HydrophobicContact CB-CG2 4.15Å; T522-A583 PolarHBondContact N-O 2.9Å; T522-T584 WeakPolarHBondContact O-CA 3.42Å; T522-T584 VanDerWaalsContact O-CG2 3.24Å; T522-T584 WeakPolarHBondContact O-CG2 3.48Å; T522-T584 WeakPolarHBondContact OG1-CG2 3.4Å
523T71.6Confident80Confident61 Ų6126 Ų2637%0.37416%0.163SC..EExtended strand (participates in β ladder)trans-77.8-49.1179.453.20000112.3T460 T461 T585 N586T460-T523 PolarHBondContact O-N 3.28Å; T461-T523 PolarHBondContact O-N 3.19Å; T461-T523 PolarHBondContact O-OG1 3.43Å; T523-T585 PolarHBondContact O-N 2.86Å; T523-T585 PolarHBondContact O-OG1 2.89Å; T523-N586 PolarHBondContact O-N 3.39Å; T523-N586 VanDerWaalsContact O-N 3.11Å
524N79.1Confident79.7Confident57 Ų5728.5 Ų28.531%0.30518%0.179SC..EExtended strand (participates in β ladder)trans-121123.3175.9-58.7-53.8000109.9T461 N462 F463 N586T461-N524 PolarHBondContact O-N 3.36Å; N462-N524 PolarHBondContact OD1-ND2 3.29Å; F463-N524 PolarHBondContact N-O 2.89Å; N524-N586 PolarHBondContact OD1-ND2 3Å
525F82.2Confident79.2Confident1 Ų126.5 Ų26.50%0.00417%0.168CC..EExtended strand (participates in β ladder)trans-117.1117.2178.5-177.3-86.9000109.6F463 I517 A519 T527 I579 A581 T584 N586 F587 T588F463-F525 HydrophobicContact CB-CD2 4.12Å; F463-F525 AromaticContact CD1-CD2 3.42Å; F463-F525 HydrophobicContact CD1-CD2 3.42Å; F463-F525 VanDerWaalsContact CD1-CD2 3.42Å; F463-F525 AromaticContact CD1-CE2 3.28Å; F463-F525 HydrophobicContact CD1-CE2 3.28Å; F463-F525 HydrophobicContact CD1-CG 4.28Å; F463-F525 HydrophobicContact CD1-CZ 4.07Å; F463-F525 HydrophobicContact CE1-CD2 4.06Å; F463-F525 AromaticContact CE1-CE2 3.41Å; F463-F525 HydrophobicContact CE1-CE2 3.41Å; F463-F525 VanDerWaalsContact CE1-CE2 3.41Å; F463-F525 AromaticContact CE1-CZ 3.93Å; F463-F525 HydrophobicContact CE1-CZ 3.93Å; F463-F525 AromaticContact CG-CD2 3.98Å; F463-F525 HydrophobicContact CG-CD2 3.98Å; F463-F525 HydrophobicContact CG-CE2 4.11Å; F463-F525 HydrophobicContact CZ-CE2 4.34Å; I517-F525 HydrophobicContact CG2-CE2 4.23Å; I517-F525 HydrophobicContact CG2-CZ 4.02Å; A519-F525 HydrophobicContact CB-CD2 3.82Å; A519-F525 HydrophobicContact CB-CE2 3.51Å; F525-T527 HydrophobicContact CD1-CG2 4.08Å; F525-T527 HydrophobicContact CE1-CG2 3.24Å; F525-T527 HydrophobicContact CE2-CG2 4.17Å; F525-T527 HydrophobicContact CZ-CG2 3.29Å; F525-I579 HydrophobicContact CE1-CG2 3.7Å; F525-I579 HydrophobicContact CZ-CG2 3.57Å; F525-A581 HydrophobicContact CD2-CB 4.44Å; F525-A581 HydrophobicContact CE2-CB 4.46Å; F525-T584 HydrophobicContact CB-CG2 3.94Å; F525-N586 PolarHBondContact N-O 2.67Å; F525-F587 HydrophobicContact CB-CD2 4.23Å; F525-F587 AromaticContact CD1-CD2 3.41Å; F525-F587 HydrophobicContact CD1-CD2 3.41Å; F525-F587 VanDerWaalsContact CD1-CD2 3.41Å; F525-F587 AromaticContact CD1-CE2 3.28Å; F525-F587 HydrophobicContact CD1-CE2 3.28Å; F525-F587 HydrophobicContact CD1-CG 4.22Å; F525-F587 HydrophobicContact CD1-CZ 4Å; F525-F587 AromaticContact CE1-CD2 3.97Å; F525-F587 HydrophobicContact CE1-CD2 3.97Å; F525-F587 AromaticContact CE1-CE2 3.31Å; F525-F587 HydrophobicContact CE1-CE2 3.31Å; F525-F587 AromaticContact CE1-CZ 3.78Å; F525-F587 HydrophobicContact CE1-CZ 3.78Å; F525-F587 AromaticContact CG-CD2 4Å; F525-F587 HydrophobicContact CG-CD2 4Å; F525-F587 HydrophobicContact CG-CE2 4.14Å; F525-F587 HydrophobicContact CZ-CE2 4.22Å; F525-T588 PolarHBondContact O-N 3.19Å
526T83.9Confident78.9Confident49 Ų4927.3 Ų27.330%0.30118%0.177SC..EExtended strand (participates in β ladder)trans-128.1125.5178.2-55.80000109.6F463 T464 T465 T588F463-T526 PolarHBondContact O-N 3Å; T464-T526 VanDerWaalsContact CA-O 3.28Å; T464-T526 WeakPolarHBondContact CA-O 3.48Å; T465-T526 PolarHBondContact N-O 3.02Å; T465-T526 VanDerWaalsContact N-O 3.16Å; T526-T588 VanDerWaalsContact CA-O 3.31Å; T526-T588 WeakPolarHBondContact CA-O 3.36Å
527T83.4Confident78.7Confident0 Ų024.6 Ų24.60%016%0.16CC..EExtended strand (participates in β ladder)trans-129.4138.517363.50000110.1F463 T465 I517 F525 T588 T589 T590F463-T527 HydrophobicContact CD1-CG2 4.41Å; F463-T527 HydrophobicContact CE1-CG2 4.01Å; T465-T527 VanDerWaalsContact OG1-CG2 3.29Å; T465-T527 WeakPolarHBondContact OG1-CG2 3.41Å; I517-T527 HydrophobicContact CD1-CG2 3.93Å; F525-T527 HydrophobicContact CD1-CG2 4.08Å; F525-T527 HydrophobicContact CE1-CG2 3.24Å; F525-T527 HydrophobicContact CE2-CG2 4.17Å; F525-T527 HydrophobicContact CZ-CG2 3.29Å; T527-T588 PolarHBondContact N-O 2.91Å; T527-T589 CarbonylContact O-C 3.54Å; T527-T589 WeakPolarHBondContact O-CA 3.34Å; T527-T589 WeakPolarHBondContact OG1-CG2 3.41Å; T527-T589 PolarHBondContact OG1-OG1 2.84Å; T527-T589 VanDerWaalsContact OG1-OG1 3.1Å; T527-T590 PolarHBondContact O-N 3.14Å
528T83.1Confident78.5Confident39 Ų3926.8 Ų26.824%0.23917%0.172CC..EExtended strand (participates in β ladder)trans-132.4117.3176.2-55.50000108.2T465 T466 T467 T590T465-T528 PolarHBondContact O-N 2.91Å; T466-T528 CarbonylContact C-O 3.48Å; T466-T528 VanDerWaalsContact CA-O 3.28Å; T466-T528 WeakPolarHBondContact CA-O 3.44Å; T467-T528 PolarHBondContact N-O 3.24Å; T528-T590 WeakPolarHBondContact CA-O 3.41Å
529T81.5Confident78.2Confident1 Ų124.2 Ų24.21%0.00616%0.156CC..EExtended strand (participates in β ladder)trans-111.1117.4169.5-54.30000106.7T467 T513 T575 T590 T591 T592T467-T529 CarbonylContact O-C 3.51Å; T467-T529 WeakPolarHBondContact O-CA 3.5Å; T513-T529 HydrophobicContact CG2-CG2 4.1Å; T529-T575 HydrophobicContact CG2-CG2 3.89Å; T529-T590 PolarHBondContact N-O 3.27Å; T529-T591 CarbonylContact O-C 3.6Å; T529-T591 VanDerWaalsContact O-CA 3.29Å; T529-T591 WeakPolarHBondContact O-CA 3.45Å; T529-T592 PolarHBondContact O-N 3.15Å
530T81.3Confident77.8Confident30 Ų3026 Ų2618%0.18417%0.169CC..EExtended strand (participates in β ladder)trans-120114.3175.2-55.90000107.9T467 T468 T469 T592T467-T530 PolarHBondContact O-N 3.14Å; T468-T530 CarbonylContact C-O 3.47Å; T468-T530 VanDerWaalsContact CA-O 3.24Å; T468-T530 WeakPolarHBondContact CA-O 3.46Å; T469-T530 PolarHBondContact N-O 3.22Å; T530-T592 CarbonylContact C-O 3.54Å; T530-T592 VanDerWaalsContact CA-O 3.3Å; T530-T592 WeakPolarHBondContact CA-O 3.46Å
531T80.3Confident77.3Confident0 Ų024.1 Ų24.10%016%0.155CC..EExtended strand (participates in β ladder)trans-104.9120.5167.1-49.60000106T469 V511 T533 V573 T575 T592 T593 T594T469-T531 CarbonylContact O-C 3.48Å; T469-T531 WeakPolarHBondContact O-CA 3.36Å; V511-T531 HydrophobicContact CG1-CG2 3.85Å; T531-T533 HydrophobicContact CG2-CG2 4.32Å; T531-V573 HydrophobicContact CG2-CG1 3.75Å; T531-T575 WeakPolarHBondContact CB-OG1 3.49Å; T531-T575 PolarHBondContact OG1-OG1 2.84Å; T531-T592 PolarHBondContact N-O 2.93Å; T531-T593 CarbonylContact O-C 3.53Å; T531-T593 VanDerWaalsContact O-C 3.25Å; T531-T593 VanDerWaalsContact O-CA 3.24Å; T531-T593 WeakPolarHBondContact O-CA 3.4Å; T531-T594 PolarHBondContact O-N 3.2Å; T531-T594 PolarHBondContact O-OG1 3.04Å
532T79.5Confident76.9Confident33 Ų3323.5 Ų23.520%0.20215%0.147CC..EExtended strand (participates in β ladder)trans-122.2118.2174.3-62.30000107.8T469 T470 T471 T594T469-T532 PolarHBondContact O-N 3.33Å; T470-T532 CarbonylContact C-O 3.55Å; T470-T532 WeakPolarHBondContact CA-O 3.49Å; T470-T532 HydrophobicContact CG2-CG2 4.5Å; T471-T532 PolarHBondContact N-O 3.37Å; T532-T594 CarbonylContact C-O 3.44Å; T532-T594 VanDerWaalsContact CA-O 3.24Å; T532-T594 WeakPolarHBondContact CA-O 3.36Å; T532-T594 WeakPolarHBondContact CA-OG1 3.37Å; T532-T594 WeakPolarHBondContact CB-OG1 3.13Å; T532-T594 WeakPolarHBondContact CG2-OG1 3.29Å; T532-T594 PolarHBondContact OG1-OG1 2.89Å
533T77.4Confident77.1Confident1 Ų124.5 Ų24.51%0.00615%0.154CC..EExtended strand (participates in β ladder)trans-115.1133.6170.871.30000107.7T471 V511 T531 V573 T594 T595 T596T471-T533 WeakPolarHBondContact O-CA 3.17Å; T471-T533 WeakPolarHBondContact OG1-CA 3.4Å; T471-T533 VanDerWaalsContact OG1-CB 3.25Å; T471-T533 WeakPolarHBondContact OG1-CB 3.45Å; T471-T533 WeakPolarHBondContact OG1-CG2 3.37Å; V511-T533 HydrophobicContact CB-CG2 3.86Å; V511-T533 HydrophobicContact CG1-CG2 4.12Å; V511-T533 HydrophobicContact CG2-CG2 3.53Å; T531-T533 HydrophobicContact CG2-CG2 4.32Å; T533-V573 HydrophobicContact CG2-CG1 4.18Å; T533-V573 HydrophobicContact CG2-CG2 3.5Å; T533-V573 VanDerWaalsContact CG2-CG2 3.5Å; T533-V573 WeakPolarHBondContact OG1-CG2 3.37Å; T533-T594 PolarHBondContact N-O 3.31Å; T533-T595 WeakPolarHBondContact O-CA 3.11Å; T533-T595 WeakPolarHBondContact OG1-CA 3.46Å; T533-T595 WeakPolarHBondContact OG1-CB 3.48Å; T533-T595 VanDerWaalsContact OG1-CG2 3.23Å; T533-T595 WeakPolarHBondContact OG1-CG2 3.49Å; T533-T596 PolarHBondContact O-N 2.92Å
534T78.2Confident77.4Confident52 Ų5221.6 Ų21.632%0.31914%0.137SC..EExtended strand (participates in β ladder)trans-133.9119.4174.6-58.70000107.4T471 T472 D473 T596T471-T534 PolarHBondContact O-N 3.45Å; T472-T534 CarbonylContact C-O 3.56Å; T472-T534 VanDerWaalsContact CA-O 3.27Å; T472-T534 WeakPolarHBondContact CA-O 3.44Å; D473-T534 PolarHBondContact N-O 3.14Å; T534-T596 CarbonylContact C-O 3.53Å; T534-T596 VanDerWaalsContact CA-O 3.3Å; T534-T596 WeakPolarHBondContact CA-O 3.02Å
535D76.7Confident77.6Confident7 Ų721.3 Ų21.34%0.03714%0.135CC..  trans-119.5159.2171.8-175.727.4000109.3A508 P571 T596A508-D535 HydrophobicContact CB-CB 4.12Å; A508-D535 WeakPolarHBondContact CB-OD2 3.42Å; D535-P571 HydrophobicContact CB-CG 4.48Å; D535-T596 PolarHBondContact N-O 3.06Å
536G76.7Confident77.8Confident22 Ų2221.5 Ų21.523%0.22714%0.136CC..  trans-167.5108.7170.800000112.8G474 F475 N538G474-G536 WeakPolarHBondContact CA-O 3.46Å; F475-G536 PolarHBondContact N-O 2.96Å; G536-N538 PolarHBondContact O-N 3.4Å
537F84.4Confident78.1Confident1 Ų121.4 Ų21.40%0.00414%0.141CC..  trans-71.3116.8167.4-178.1-88.5000111.9F475 V504 D506 Q539 V566 D568 G598 F599 N600F475-F537 HydrophobicContact CB-CD2 4.01Å; F475-F537 AromaticContact CD1-CD2 3.46Å; F475-F537 HydrophobicContact CD1-CD2 3.46Å; F475-F537 VanDerWaalsContact CD1-CD2 3.46Å; F475-F537 AromaticContact CD1-CE2 3.31Å; F475-F537 HydrophobicContact CD1-CE2 3.31Å; F475-F537 HydrophobicContact CD1-CG 4.25Å; F475-F537 HydrophobicContact CD1-CZ 4Å; F475-F537 HydrophobicContact CE1-CD2 4.15Å; F475-F537 AromaticContact CE1-CE2 3.51Å; F475-F537 HydrophobicContact CE1-CE2 3.51Å; F475-F537 AromaticContact CE1-CZ 3.92Å; F475-F537 HydrophobicContact CE1-CZ 3.92Å; F475-F537 AromaticContact CG-CD2 3.89Å; F475-F537 HydrophobicContact CG-CD2 3.89Å; F475-F537 HydrophobicContact CG-CE2 4.01Å; F475-F537 HydrophobicContact CZ-CE2 4.34Å; V504-F537 HydrophobicContact CG1-CE2 3.92Å; V504-F537 HydrophobicContact CG1-CZ 4.17Å; D506-F537 HydrophobicContact CB-CD2 3.61Å; D506-F537 HydrophobicContact CB-CE2 4.1Å; F537-Q539 HydrophobicContact CD1-CB 4.42Å; F537-Q539 HydrophobicContact CE1-CB 3.52Å; F537-Q539 HydrophobicContact CZ-CB 3.85Å; F537-V566 HydrophobicContact CE1-CG1 3.87Å; F537-V566 HydrophobicContact CE2-CG1 4.03Å; F537-V566 HydrophobicContact CZ-CG1 3.36Å; F537-D568 HydrophobicContact CB-CB 4.26Å; F537-D568 VanDerWaalsContact CB-CG 3.46Å; F537-D568 WeakPolarHBondContact CB-OD2 3.37Å; F537-D568 HydrophobicContact CD2-CB 4.42Å; F537-D568 HydrophobicContact CG-CB 4.36Å; F537-G598 PolarHBondContact N-O 3.43Å; F537-F599 HydrophobicContact CB-CD2 4.12Å; F537-F599 AromaticContact CD1-CD2 3.57Å; F537-F599 HydrophobicContact CD1-CD2 3.57Å; F537-F599 AromaticContact CD1-CE2 3.45Å; F537-F599 HydrophobicContact CD1-CE2 3.45Å; F537-F599 VanDerWaalsContact CD1-CE2 3.45Å; F537-F599 HydrophobicContact CD1-CG 4.36Å; F537-F599 HydrophobicContact CD1-CZ 4.14Å; F537-F599 HydrophobicContact CE1-CD2 4.23Å; F537-F599 AromaticContact CE1-CE2 3.62Å; F537-F599 HydrophobicContact CE1-CE2 3.62Å; F537-F599 HydrophobicContact CE1-CZ 4.05Å; F537-F599 AromaticContact CG-CD2 3.99Å; F537-F599 HydrophobicContact CG-CD2 3.99Å; F537-F599 HydrophobicContact CG-CE2 4.12Å; F537-F599 HydrophobicContact CZ-CE2 4.4Å; F537-N600 CarbonylContact O-C 3.51Å; F537-N600 WeakPolarHBondContact O-CA 2.87Å; F537-N600 PolarHBondContact O-N 3.35Å
538N80.6Confident78.4Confident49 Ų4921.5 Ų21.526%0.26214%0.141SC..BIsolated β-bridgetrans-122.5106.4174.4-163.1-37000112.7F475 N476 Q477 G536 S540 N600F475-N538 CarbonylContact O-C 3.39Å; F475-N538 WeakPolarHBondContact O-CA 3.49Å; F475-N538 PolarHBondContact O-N 2.52Å; N476-N538 WeakPolarHBondContact CA-O 3.45Å; Q477-N538 PolarHBondContact N-O 3.4Å; G536-N538 PolarHBondContact O-N 3.4Å; N538-S540 PolarHBondContact OD1-N 3.43Å; N538-N600 WeakPolarHBondContact CA-O 3.47Å
539Q77.6Confident78.7Confident0 Ų021.9 Ų21.90%015%0.145CC..  trans-111.784.9170.9-170.5179.4103.100112Q477 F537 K541 N600 Q601 S602Q477-Q539 HydrophobicContact CB-CG 4.48Å; F537-Q539 HydrophobicContact CD1-CB 4.42Å; F537-Q539 HydrophobicContact CE1-CB 3.52Å; F537-Q539 HydrophobicContact CZ-CB 3.85Å; Q539-K541 HydrophobicContact CG-CD 4.2Å; Q539-K541 HydrophobicContact CG-CG 4.14Å; Q539-K541 VanDerWaalsContact NE2-NZ 3.19Å; Q539-N600 PolarHBondContact N-O 2.9Å; Q539-Q601 HydrophobicContact CB-CG 4.41Å; Q539-S602 PolarHBondContact O-N 3.44Å
540S69.6Low79Confident39 Ų3922.1 Ų22.127%0.27315%0.147SC..  trans-92.3101176.657.50000112.3Q477 S478 K479 N538 S602Q477-S540 PolarHBondContact O-N 3.3Å; S478-S540 WeakPolarHBondContact CA-O 3.47Å; K479-S540 PolarHBondContact N-O 2.97Å; K479-S540 VanDerWaalsContact N-O 3.08Å; N538-S540 PolarHBondContact OD1-N 3.43Å; S540-S602 WeakPolarHBondContact CA-O 3.18Å
541K63.1Low79.2Confident5 Ų522.6 Ų22.62%0.02215%0.152CC..BIsolated β-bridgetrans-117.5132.7-179.8-61-177.1177.2148.40112.6K479 Y502 Q539 S602 K603 S604K479-K541 HydrophobicContact CB-CG 4.2Å; K479-K541 WeakPolarHBondContact O-CA 3.44Å; Y502-K541 PolarHBondContact OH-NZ 2.68Å; Q539-K541 HydrophobicContact CG-CD 4.2Å; Q539-K541 HydrophobicContact CG-CG 4.14Å; Q539-K541 VanDerWaalsContact NE2-NZ 3.19Å; K541-S602 PolarHBondContact N-O 3.45Å; K541-S602 VanDerWaalsContact N-O 3.11Å; K541-K603 HydrophobicContact CB-CG 4.26Å; K541-K603 WeakPolarHBondContact O-CA 3.13Å; K541-S604 PolarHBondContact O-N 3.25Å
542S58.6Low79.4Confident44 Ų4422.6 Ų22.631%0.30815%0.152SC..SBendtrans-70-34.6173.859.80000113.8K479 S480 S604K479-S542 PolarHBondContact O-N 3.45Å; K479-S542 PolarHBondContact O-OG 2.95Å; S480-S542 WeakPolarHBondContact CA-OG 3.41Å; S480-S542 PolarHBondContact O-OG 3.1Å; S542-S604 WeakPolarHBondContact CA-OG 3.33Å; S542-S604 CarbonylContact O-C 3.58Å; S542-S604 PolarHBondContact O-OG 3.31Å
543S70.7Confident79.3Confident24 Ų2422.9 Ų22.917%0.16815%0.154CC..  trans-167.1141.1170.153.10000112S481 L482 S605S481-S543 WeakPolarHBondContact CA-O 3.34Å; L482-S543 PolarHBondContact N-O 3.42Å; S543-S605 WeakPolarHBondContact CA-O 3.09Å
544L77.3Confident79.1Confident0 Ų026.9 Ų26.90%018%0.179CC..EExtended strand (participates in β ladder)trans-118.4111.6167.5169.555.1000108.2L482 V546 Y564 S605 L606 N607L482-L544 HydrophobicContact CB-CD1 3.79Å; L482-L544 HydrophobicContact CD2-CD1 3.5Å; L482-L544 HydrophobicContact CG-CD1 3.43Å; L482-L544 VanDerWaalsContact CG-CD1 3.43Å; L482-L544 WeakPolarHBondContact O-CA 3.45Å; L544-V546 HydrophobicContact CD1-CG2 3.47Å; L544-V546 VanDerWaalsContact CD1-CG2 3.47Å; L544-V546 HydrophobicContact CD2-CG2 4.49Å; L544-V546 HydrophobicContact CG-CG2 3.91Å; L544-Y564 HydrophobicContact CD2-CD2 4.36Å; L544-Y564 HydrophobicContact CD2-CE2 3.58Å; L544-S605 PolarHBondContact N-O 3.22Å; L544-L606 HydrophobicContact CB-CD1 3.81Å; L544-L606 HydrophobicContact CD2-CD1 3.54Å; L544-L606 HydrophobicContact CG-CD1 3.46Å; L544-L606 VanDerWaalsContact CG-CD1 3.46Å; L544-N607 PolarHBondContact O-N 2.93Å
545N84.5Confident78.8Confident51 Ų5124.4 Ų24.427%0.27316%0.163SC..EExtended strand (participates in β ladder)trans-113.1114.6177-57.6-55.3000109.1L482 N483 V484 N607L482-N545 PolarHBondContact O-N 2.93Å; N483-N545 WeakPolarHBondContact CA-O 3.45Å; N483-N545 WeakPolarHBondContact OD1-CB 3.42Å; N483-N545 PolarHBondContact OD1-ND2 3.28Å; V484-N545 PolarHBondContact N-O 3.13Å; N545-N607 WeakPolarHBondContact CA-O 3.18Å; N545-N607 WeakPolarHBondContact OD1-CB 3.44Å; N545-N607 PolarHBondContact OD1-ND2 3.26Å
546V86.4Confident79Confident4 Ų426.3 Ų26.32%0.02418%0.177CC..EExtended strand (participates in β ladder)trans-120.1119.1179.3-173.60000108.8V484 F500 L544 V548 F562 N607 V608 A609V484-V546 HydrophobicContact CB-CG1 4.45Å; V484-V546 WeakPolarHBondContact O-CA 3.38Å; F500-V546 HydrophobicContact CE1-CG1 3.88Å; F500-V546 HydrophobicContact CE2-CG1 3.83Å; F500-V546 HydrophobicContact CZ-CG1 3.43Å; F500-V546 VanDerWaalsContact CZ-CG1 3.43Å; F500-V546 HydrophobicContact CZ-CG2 4.45Å; L544-V546 HydrophobicContact CD1-CG2 3.47Å; L544-V546 VanDerWaalsContact CD1-CG2 3.47Å; L544-V546 HydrophobicContact CD2-CG2 4.49Å; L544-V546 HydrophobicContact CG-CG2 3.91Å; V546-V548 HydrophobicContact CG1-CG2 3.96Å; V546-F562 HydrophobicContact CB-CE2 4.49Å; V546-F562 HydrophobicContact CG1-CE2 3.66Å; V546-F562 HydrophobicContact CG1-CZ 4.15Å; V546-N607 PolarHBondContact N-O 2.85Å; V546-V608 HydrophobicContact CB-CG1 4.45Å; V546-V608 WeakPolarHBondContact O-CA 3.18Å; V546-A609 PolarHBondContact O-N 3.35Å
547A88.3Confident79.4Confident48 Ų4827.2 Ų27.240%0.39718%0.179SC..EExtended strand (participates in β ladder)trans-119113.3176.400000109.2V484 A485 V486 A609V484-A547 PolarHBondContact O-N 3.05Å; A485-A547 WeakPolarHBondContact CA-O 3.42Å; V486-A547 PolarHBondContact N-O 2.85Å; A547-A609 WeakPolarHBondContact CA-O 3.31Å
548V90.8Very high79.6Confident2 Ų227.2 Ų27.21%0.01218%0.178CC..EExtended strand (participates in β ladder)trans-116.9123.2177.7-174.40000108.6V486 F500 V546 F562 A609 V610 S611V486-V548 HydrophobicContact CB-CG2 4.49Å; V486-V548 WeakPolarHBondContact O-CA 3.48Å; F500-V548 HydrophobicContact CB-CG2 4.3Å; F500-V548 HydrophobicContact CD2-CG2 3.73Å; F500-V548 HydrophobicContact CE2-CG2 4.21Å; F500-V548 HydrophobicContact CG-CG2 3.98Å; V546-V548 HydrophobicContact CG1-CG2 3.96Å; V548-F562 HydrophobicContact CG2-CD2 3.96Å; V548-F562 HydrophobicContact CG2-CE2 4.02Å; V548-A609 PolarHBondContact N-O 3.45Å; V548-V610 HydrophobicContact CB-CG2 4.48Å; V548-V610 WeakPolarHBondContact O-CA 3.16Å; V548-S611 PolarHBondContact O-N 3.39Å; V548-S611 PolarHBondContact O-OG 3.2Å
549S89.6Confident80Confident46 Ų4627.1 Ų27.132%0.32218%0.178SC..EExtended strand (participates in β ladder)trans-130.5135.3179.760.30000111.2V486 S487 A488 Q498 S611V486-S549 PolarHBondContact O-N 3.11Å; V486-S549 PolarHBondContact O-OG 2.91Å; S487-S549 WeakPolarHBondContact CA-O 3.47Å; S487-S549 WeakPolarHBondContact CB-OG 3.41Å; A488-S549 PolarHBondContact N-O 3.34Å; Q498-S549 PolarHBondContact NE2-O 2.85Å; Q498-S549 VanDerWaalsContact NE2-O 3.13Å; S549-S611 WeakPolarHBondContact CA-O 3.22Å; S549-S611 WeakPolarHBondContact CB-OG 3.38Å
550A87.8Confident80.6Confident6 Ų627.4 Ų27.45%0.0518%0.179CC..EExtended strand (participates in β ladder)trans-140.3139.9176.600000111.5A488 F496 Q498 F558 S611 A612 S613A488-A550 WeakPolarHBondContact O-CA 3.48Å; F496-A550 HydrophobicContact CE1-CB 3.4Å; F496-A550 VanDerWaalsContact CE1-CB 3.4Å; F496-A550 HydrophobicContact CZ-CB 3.39Å; Q498-A550 VanDerWaalsContact OE1-CB 3.27Å; A550-F558 HydrophobicContact CB-CE2 3.82Å; A550-F558 HydrophobicContact CB-CZ 3.5Å; A550-F558 VanDerWaalsContact CB-CZ 3.5Å; A550-S611 PolarHBondContact N-O 3.03Å; A550-A612 WeakPolarHBondContact O-CA 3.38Å; A550-S613 PolarHBondContact O-N 2.88Å; A550-S613 VanDerWaalsContact O-N 3.09Å
551S84.9Confident81.4Confident41 Ų4127 Ų2729%0.28718%0.181SC..EExtended strand (participates in β ladder)trans-140.4122.7-178.1-169.60000110.9A488 S489 N490 P553A488-S551 PolarHBondContact O-N 3.42Å; A488-S551 VanDerWaalsContact O-N 3.09Å; S489-S551 WeakPolarHBondContact CA-O 3.43Å; N490-S551 PolarHBondContact N-O 2.86Å; S551-P553 VanDerWaalsContact C-CD 3.48Å; S551-P553 WeakPolarHBondContact OG-CD 2.96Å
552N84.3Confident82.8Confident0 Ų026.8 Ų26.80%018%0.18CC..  trans-131.673.1170.6-172-2.5000110.9N490 G493 F496 V554 G555 F558 S613 N614N490-N552 WeakPolarHBondContact O-CA 3.31Å; N490-N552 PolarHBondContact O-OD1 2.83Å; G493-N552 PolarHBondContact O-ND2 2.94Å; G493-N552 VanDerWaalsContact O-ND2 3.11Å; G493-N552 PolarHBondContact O-OD1 3.39Å; F496-N552 HydrophobicContact CB-CB 4.08Å; F496-N552 VanDerWaalsContact CB-ND2 3.34Å; F496-N552 WeakPolarHBondContact CB-ND2 3.34Å; F496-N552 HydrophobicContact CD2-CB 4.33Å; F496-N552 HydrophobicContact CG-CB 4.23Å; N552-V554 VanDerWaalsContact C-N 3.29Å; N552-V554 PolarHBondContact O-N 2.78Å; N552-V554 VanDerWaalsContact O-N 3.1Å; N552-G555 WeakPolarHBondContact ND2-CA 3.47Å; N552-G555 VanDerWaalsContact OD1-CA 3.25Å; N552-G555 WeakPolarHBondContact OD1-CA 3.48Å; N552-G555 PolarHBondContact OD1-N 2.84Å; N552-G555 VanDerWaalsContact OD1-N 3.11Å; N552-F558 HydrophobicContact CB-CD2 3.66Å; N552-F558 HydrophobicContact CB-CE2 4.22Å; N552-S613 PolarHBondContact N-O 3.47Å; N552-N614 WeakPolarHBondContact O-CA 3.31Å; N552-N614 PolarHBondContact O-OD1 3.14Å
553P77.8Confident84.3Confident39 Ų3927.5 Ų27.525%0.25318%0.183SC..THydrogen-bonded Turntrans-37-47.1-180-36.330.9000117.2P491 S551 V616P491-P553 HydrophobicContact CB-CG 4.38Å; S551-P553 VanDerWaalsContact C-CD 3.48Å; S551-P553 WeakPolarHBondContact OG-CD 2.96Å; P553-V616 WeakPolarHBondContact O-CB 3.37Å; P553-V616 VanDerWaalsContact O-CG2 3.28Å; P553-V616 WeakPolarHBondContact O-CG2 3.37Å; P553-V616 PolarHBondContact O-N 3.43Å; P553-V616 VanDerWaalsContact O-N 3.15Å
554V74.1Confident85.1Confident85 Ų8526.5 Ų26.552%0.51518%0.175SC..THydrogen-bonded Turntrans-124.115.9-166.2-158.60000113.1P491 N552P491-V554 WeakPolarHBondContact O-CB 3.32Å; P491-V554 VanDerWaalsContact O-CG2 3.3Å; P491-V554 WeakPolarHBondContact O-CG2 3.41Å; P491-V554 PolarHBondContact O-N 2.89Å; P491-V554 VanDerWaalsContact O-N 3.07Å; N552-V554 VanDerWaalsContact C-N 3.29Å; N552-V554 PolarHBondContact O-N 2.78Å; N552-V554 VanDerWaalsContact O-N 3.1Å
555G71.3Confident85.5Confident0 Ų027.5 Ų27.50%019%0.186CC..  trans-95.2140.2-169.300000116.8G493 N552 T557 N614 G617G493-G555 WeakPolarHBondContact O-CA 3.3Å; N552-G555 WeakPolarHBondContact ND2-CA 3.47Å; N552-G555 VanDerWaalsContact OD1-CA 3.25Å; N552-G555 WeakPolarHBondContact OD1-CA 3.48Å; N552-G555 PolarHBondContact OD1-N 2.84Å; N552-G555 VanDerWaalsContact OD1-N 3.11Å; G555-T557 PolarHBondContact O-N 3.08Å; G555-N614 PolarHBondContact O-ND2 2.69Å; G555-N614 PolarHBondContact O-OD1 3.29Å; G555-G617 WeakPolarHBondContact O-CA 3.37Å
556S81.3Confident85.6Confident47 Ų4725.1 Ų25.133%0.32917%0.173SC..SBendtrans-62.7-38.1-17841.50000114.3S494 S618 T619S494-S556 WeakPolarHBondContact CA-OG 3.25Å; S494-S556 PolarHBondContact O-N 3.05Å; S494-S556 PolarHBondContact O-OG 3.18Å; S556-S618 WeakPolarHBondContact CA-OG 3.5Å; S556-S618 PolarHBondContact O-N 3.39Å; S556-S618 PolarHBondContact O-OG 2.92Å; S556-T619 PolarHBondContact O-N 2.81Å
557T83.5Confident85.6Confident41 Ų4127.1 Ų27.125%0.25219%0.185SC..EExtended strand (participates in β ladder)trans-132.5127-175.2-49.10000110.9S494 T495 F496 G555 T619S494-T557 PolarHBondContact O-N 3.31Å; T495-T557 WeakPolarHBondContact CA-O 2.93Å; F496-T557 PolarHBondContact N-O 2.83Å; G555-T557 PolarHBondContact O-N 3.08Å; T557-T619 WeakPolarHBondContact CA-O 3.34Å
558F88.8Confident85.5Confident0 Ų024.9 Ų24.90%017%0.167CC..EExtended strand (participates in β ladder)trans-128.1123.5177.5-178.6-79.9000110.5F496 A550 N552 Q560 A612 N614 T619 F620 N621F496-F558 HydrophobicContact CB-CD2 4.14Å; F496-F558 AromaticContact CD1-CD2 3.49Å; F496-F558 HydrophobicContact CD1-CD2 3.49Å; F496-F558 VanDerWaalsContact CD1-CD2 3.49Å; F496-F558 AromaticContact CD1-CE2 3.42Å; F496-F558 HydrophobicContact CD1-CE2 3.42Å; F496-F558 VanDerWaalsContact CD1-CE2 3.42Å; F496-F558 HydrophobicContact CD1-CG 4.25Å; F496-F558 HydrophobicContact CD1-CZ 4.09Å; F496-F558 HydrophobicContact CE1-CD2 4.11Å; F496-F558 AromaticContact CE1-CE2 3.53Å; F496-F558 HydrophobicContact CE1-CE2 3.53Å; F496-F558 AromaticContact CE1-CZ 3.95Å; F496-F558 HydrophobicContact CE1-CZ 3.95Å; F496-F558 AromaticContact CG-CD2 3.93Å; F496-F558 HydrophobicContact CG-CD2 3.93Å; F496-F558 HydrophobicContact CG-CE2 4.11Å; F496-F558 HydrophobicContact CZ-CE2 4.26Å; A550-F558 HydrophobicContact CB-CE2 3.82Å; A550-F558 HydrophobicContact CB-CZ 3.5Å; A550-F558 VanDerWaalsContact CB-CZ 3.5Å; N552-F558 HydrophobicContact CB-CD2 3.66Å; N552-F558 HydrophobicContact CB-CE2 4.22Å; F558-Q560 HydrophobicContact CE1-CB 3.67Å; F558-Q560 HydrophobicContact CZ-CB 4.19Å; F558-A612 HydrophobicContact CE1-CB 3.4Å; F558-A612 HydrophobicContact CZ-CB 3.4Å; F558-N614 HydrophobicContact CB-CB 4.06Å; F558-N614 WeakPolarHBondContact CB-ND2 3.5Å; F558-N614 HydrophobicContact CD2-CB 4.33Å; F558-N614 HydrophobicContact CG-CB 4.23Å; F558-T619 PolarHBondContact N-O 3.47Å; F558-F620 HydrophobicContact CB-CD2 4.12Å; F558-F620 AromaticContact CD1-CD2 3.5Å; F558-F620 HydrophobicContact CD1-CD2 3.5Å; F558-F620 AromaticContact CD1-CE2 3.41Å; F558-F620 HydrophobicContact CD1-CE2 3.41Å; F558-F620 VanDerWaalsContact CD1-CE2 3.41Å; F558-F620 HydrophobicContact CD1-CG 4.29Å; F558-F620 HydrophobicContact CD1-CZ 4.09Å; F558-F620 HydrophobicContact CE1-CD2 4.14Å; F558-F620 AromaticContact CE1-CE2 3.55Å; F558-F620 HydrophobicContact CE1-CE2 3.55Å; F558-F620 AromaticContact CE1-CZ 3.97Å; F558-F620 HydrophobicContact CE1-CZ 3.97Å; F558-F620 AromaticContact CG-CD2 3.94Å; F558-F620 HydrophobicContact CG-CD2 3.94Å; F558-F620 HydrophobicContact CG-CE2 4.1Å; F558-F620 HydrophobicContact CZ-CE2 4.28Å; F558-N621 PolarHBondContact O-N 3.4Å
559N89.4Confident85.2Confident47 Ų4727 Ų2725%0.25118%0.179SC..EExtended strand (participates in β ladder)trans-126.2124.2175.5-56.6-53.8000109.9F496 N497 Q498 N621F496-N559 PolarHBondContact O-N 2.7Å; N497-N559 WeakPolarHBondContact CA-O 3.48Å; N497-N559 PolarHBondContact OD1-ND2 3.2Å; Q498-N559 PolarHBondContact N-O 3.49Å; N559-N621 WeakPolarHBondContact CA-O 3.3Å; N559-N621 PolarHBondContact OD1-ND2 2.91Å
560Q90.2Very high84.5Confident7 Ų725 Ų253%0.03317%0.166CC..EExtended strand (participates in β ladder)trans-128124.1171.7-178-175.462.400109.9Q498 F558 V610 S611 A612 N621 Q622 G623Q498-Q560 CarbonylContact O-C 3.53Å; Q498-Q560 WeakPolarHBondContact O-CA 3.33Å; F558-Q560 HydrophobicContact CE1-CB 3.67Å; F558-Q560 HydrophobicContact CZ-CB 4.19Å; Q560-V610 VanDerWaalsContact OE1-CG1 3.23Å; Q560-S611 PolarHBondContact NE2-O 3.15Å; Q560-S611 VanDerWaalsContact NE2-O 3.14Å; Q560-A612 VanDerWaalsContact OE1-CB 3.28Å; Q560-N621 PolarHBondContact N-O 3.36Å; Q560-Q622 CarbonylContact O-C 3.53Å; Q560-Q622 WeakPolarHBondContact O-CA 3.4Å; Q560-G623 PolarHBondContact O-N 3.46Å
561G87.3Confident83.8Confident30 Ų3024.8 Ų24.831%0.30916%0.164SC..EExtended strand (participates in β ladder)trans-117134.7174.800000111.6Q498 F500Q498-G561 PolarHBondContact O-N 2.86Å; F500-G561 PolarHBondContact N-O 3.14Å
562F91Very high83.6Confident1 Ų126.1 Ų26.10%0.00417%0.168CC..EExtended strand (participates in β ladder)trans-127.5120.9171.7-176.3-81.3000109.7F500 V546 V548 V608 V610 G623 F624 T625F500-F562 HydrophobicContact CB-CD2 4Å; F500-F562 AromaticContact CD1-CD2 3.45Å; F500-F562 HydrophobicContact CD1-CD2 3.45Å; F500-F562 VanDerWaalsContact CD1-CD2 3.45Å; F500-F562 AromaticContact CD1-CE2 3.24Å; F500-F562 HydrophobicContact CD1-CE2 3.24Å; F500-F562 HydrophobicContact CD1-CG 4.27Å; F500-F562 AromaticContact CD1-CZ 3.91Å; F500-F562 HydrophobicContact CD1-CZ 3.91Å; F500-F562 HydrophobicContact CE1-CD2 4.17Å; F500-F562 AromaticContact CE1-CE2 3.46Å; F500-F562 HydrophobicContact CE1-CE2 3.46Å; F500-F562 VanDerWaalsContact CE1-CE2 3.46Å; F500-F562 AromaticContact CE1-CZ 3.85Å; F500-F562 HydrophobicContact CE1-CZ 3.85Å; F500-F562 AromaticContact CG-CD2 3.85Å; F500-F562 HydrophobicContact CG-CD2 3.85Å; F500-F562 AromaticContact CG-CE2 3.92Å; F500-F562 HydrophobicContact CG-CE2 3.92Å; F500-F562 HydrophobicContact CZ-CE2 4.29Å; F500-F562 WeakPolarHBondContact O-CA 3.37Å; V546-F562 HydrophobicContact CB-CE2 4.49Å; V546-F562 HydrophobicContact CG1-CE2 3.66Å; V546-F562 HydrophobicContact CG1-CZ 4.15Å; V548-F562 HydrophobicContact CG2-CD2 3.96Å; V548-F562 HydrophobicContact CG2-CE2 4.02Å; F562-V608 HydrophobicContact CE1-CG1 3.91Å; F562-V608 HydrophobicContact CE2-CG1 3.86Å; F562-V608 HydrophobicContact CZ-CG1 3.46Å; F562-V608 VanDerWaalsContact CZ-CG1 3.46Å; F562-V608 HydrophobicContact CZ-CG2 4.45Å; F562-V610 HydrophobicContact CB-CG2 4.32Å; F562-V610 HydrophobicContact CD2-CG2 3.74Å; F562-V610 HydrophobicContact CE2-CG2 4.21Å; F562-V610 HydrophobicContact CG-CG2 3.99Å; F562-G623 PolarHBondContact N-O 2.91Å; F562-F624 HydrophobicContact CB-CD2 4.01Å; F562-F624 AromaticContact CD1-CD2 3.44Å; F562-F624 HydrophobicContact CD1-CD2 3.44Å; F562-F624 VanDerWaalsContact CD1-CD2 3.44Å; F562-F624 AromaticContact CD1-CE2 3.23Å; F562-F624 HydrophobicContact CD1-CE2 3.23Å; F562-F624 HydrophobicContact CD1-CG 4.27Å; F562-F624 AromaticContact CD1-CZ 3.92Å; F562-F624 HydrophobicContact CD1-CZ 3.92Å; F562-F624 HydrophobicContact CE1-CD2 4.15Å; F562-F624 AromaticContact CE1-CE2 3.45Å; F562-F624 HydrophobicContact CE1-CE2 3.45Å; F562-F624 VanDerWaalsContact CE1-CE2 3.45Å; F562-F624 AromaticContact CE1-CZ 3.85Å; F562-F624 HydrophobicContact CE1-CZ 3.85Å; F562-F624 AromaticContact CG-CD2 3.85Å; F562-F624 HydrophobicContact CG-CD2 3.85Å; F562-F624 AromaticContact CG-CE2 3.94Å; F562-F624 HydrophobicContact CG-CE2 3.94Å; F562-F624 HydrophobicContact CZ-CE2 4.29Å; F562-F624 WeakPolarHBondContact O-CA 3.41Å; F562-T625 PolarHBondContact O-N 2.95Å
563T90.6Very high83.4Confident59 Ų5926.2 Ų26.236%0.36217%0.169SC..EExtended strand (participates in β ladder)trans-125.6125.7176.6-55.50000109.8F500 T501 Y502 T625F500-T563 PolarHBondContact O-N 3.11Å; T501-T563 WeakPolarHBondContact CA-O 3.25Å; Y502-T563 PolarHBondContact N-O 3.04Å; T563-T625 WeakPolarHBondContact CA-O 3.38Å
564Y87.1Confident83.8Confident2 Ų225.9 Ų25.91%0.00817%0.167CC..EExtended strand (participates in β ladder)trans-118117.9168-180-78.6000108Y502 L544 V566 K603 T625 Y626 G627Y502-Y564 AromaticContact CD1-CD2 3.43Å; Y502-Y564 HydrophobicContact CD1-CD2 3.43Å; Y502-Y564 VanDerWaalsContact CD1-CD2 3.43Å; Y502-Y564 AromaticContact CD1-CE2 3.2Å; Y502-Y564 HydrophobicContact CD1-CE2 3.2Å; Y502-Y564 HydrophobicContact CD1-CG 4.26Å; Y502-Y564 AromaticContact CD1-CZ 3.86Å; Y502-Y564 HydrophobicContact CE1-CD2 4.16Å; Y502-Y564 AromaticContact CE1-CE2 3.44Å; Y502-Y564 HydrophobicContact CE1-CE2 3.44Å; Y502-Y564 VanDerWaalsContact CE1-CE2 3.44Å; Y502-Y564 AromaticContact CE1-CZ 3.82Å; Y502-Y564 AromaticContact CG-CD2 3.87Å; Y502-Y564 HydrophobicContact CG-CD2 3.87Å; Y502-Y564 AromaticContact CG-CE2 3.93Å; Y502-Y564 HydrophobicContact CG-CE2 3.93Å; Y502-Y564 CarbonylContact O-C 3.51Å; Y502-Y564 WeakPolarHBondContact O-CA 3.49Å; L544-Y564 HydrophobicContact CD2-CD2 4.36Å; L544-Y564 HydrophobicContact CD2-CE2 3.58Å; Y564-V566 HydrophobicContact CE1-CG2 3.72Å; Y564-V566 VanDerWaalsContact OH-CG2 3.28Å; Y564-V566 WeakPolarHBondContact OH-CG2 3.29Å; Y564-K603 PolarHBondContact OH-NZ 3.48Å; Y564-T625 PolarHBondContact N-O 3.07Å; Y564-Y626 AromaticContact CD1-CD2 3.46Å; Y564-Y626 HydrophobicContact CD1-CD2 3.46Å; Y564-Y626 VanDerWaalsContact CD1-CD2 3.46Å; Y564-Y626 AromaticContact CD1-CE2 3.23Å; Y564-Y626 HydrophobicContact CD1-CE2 3.23Å; Y564-Y626 HydrophobicContact CD1-CG 4.29Å; Y564-Y626 AromaticContact CD1-CZ 3.89Å; Y564-Y626 HydrophobicContact CE1-CD2 4.2Å; Y564-Y626 AromaticContact CE1-CE2 3.49Å; Y564-Y626 HydrophobicContact CE1-CE2 3.49Å; Y564-Y626 VanDerWaalsContact CE1-CE2 3.49Å; Y564-Y626 AromaticContact CE1-CZ 3.86Å; Y564-Y626 AromaticContact CG-CD2 3.91Å; Y564-Y626 HydrophobicContact CG-CD2 3.91Å; Y564-Y626 AromaticContact CG-CE2 3.97Å; Y564-Y626 HydrophobicContact CG-CE2 3.97Å; Y564-Y626 WeakPolarHBondContact O-CA 3.34Å; Y564-G627 PolarHBondContact O-N 3.13Å
565G87Confident84.3Confident21 Ų2121.9 Ų21.922%0.21614%0.143CC..EExtended strand (participates in β ladder)trans-127.4137.4177.700000111.2Y502 G503 V504 G627Y502-G565 PolarHBondContact O-N 3.1Å; G503-G565 WeakPolarHBondContact CA-O 3.36Å; V504-G565 PolarHBondContact N-O 2.9Å; V504-G565 VanDerWaalsContact N-O 3.15Å; G565-G627 WeakPolarHBondContact CA-O 3.42Å
566V85.7Confident85Confident1 Ų124.1 Ų24.11%0.00616%0.155CC..EExtended strand (participates in β ladder)trans-131.2127.4161.8177.70000106.4V504 F537 Y564 F599 G627 V628 T629V504-V566 HydrophobicContact CB-CG2 4.37Å; V504-V566 CarbonylContact O-C 3.59Å; V504-V566 VanDerWaalsContact O-CA 3.29Å; V504-V566 WeakPolarHBondContact O-CA 3.47Å; F537-V566 HydrophobicContact CE1-CG1 3.87Å; F537-V566 HydrophobicContact CE2-CG1 4.03Å; F537-V566 HydrophobicContact CZ-CG1 3.36Å; Y564-V566 HydrophobicContact CE1-CG2 3.72Å; Y564-V566 VanDerWaalsContact OH-CG2 3.28Å; Y564-V566 WeakPolarHBondContact OH-CG2 3.29Å; V566-F599 HydrophobicContact CG1-CE2 4.07Å; V566-F599 HydrophobicContact CG1-CZ 4.34Å; V566-G627 PolarHBondContact N-O 2.85Å; V566-G627 VanDerWaalsContact N-O 3.16Å; V566-V628 HydrophobicContact CB-CG2 4.4Å; V566-V628 CarbonylContact O-C 3.45Å; V566-V628 VanDerWaalsContact O-CA 3.29Å; V566-V628 WeakPolarHBondContact O-CA 3.11Å; V566-T629 PolarHBondContact O-N 3.25Å
567T87.2Confident85.1Confident47 Ų4722 Ų2229%0.28814%0.14SC..EExtended strand (participates in β ladder)trans-125.7129.2176.9-60.70000107.3V504 T505 D506 T629V504-T567 PolarHBondContact O-N 2.98Å; T505-T567 WeakPolarHBondContact CA-O 3.37Å; D506-T567 PolarHBondContact N-O 2.85Å; T567-T629 WeakPolarHBondContact CA-O 3.42Å
568D85.8Confident85.2Confident0 Ų022.9 Ų22.90%015%0.145CC..  trans-115.4141.6166.9-168.415.8000107.2F537 F599 T629 T631F537-D568 HydrophobicContact CB-CB 4.26Å; F537-D568 VanDerWaalsContact CB-CG 3.46Å; F537-D568 WeakPolarHBondContact CB-OD2 3.37Å; F537-D568 HydrophobicContact CD2-CB 4.42Å; F537-D568 HydrophobicContact CG-CB 4.36Å; D568-F599 HydrophobicContact CB-CD2 3.6Å; D568-F599 HydrophobicContact CB-CE2 4.05Å; D568-F599 WeakPolarHBondContact OD2-CD2 3.25Å; D568-T629 PolarHBondContact N-O 2.6Å; D568-T631 PolarHBondContact O-N 2.72Å
569T83.7Confident85Confident46 Ų4622.9 Ų22.928%0.28215%0.146SC..  trans-145.5104.4-177.7-58.50000106.8D506 A508D506-T569 PolarHBondContact O-N 3.29Å; A508-T569 WeakPolarHBondContact CB-O 3.25Å; A508-T569 PolarHBondContact N-O 3.43Å
570A75.2Confident84.7Confident4 Ų423.2 Ų23.23%0.03315%0.149CC..PPolyproline II helixtrans-70165.7-177.800000111.5D597 T631 P633A570-D597 HydrophobicContact CB-CB 4.01Å; A570-D597 WeakPolarHBondContact CB-OD2 3.46Å; A570-T631 WeakPolarHBondContact CB-O 3.42Å; A570-T631 PolarHBondContact N-O 3.44Å; A570-P633 HydrophobicContact CB-CB 3.89Å; A570-P633 VanDerWaalsContact CB-CD 3.48Å; A570-P633 HydrophobicContact CB-CG 4.1Å
571P72.7Confident84Confident3 Ų322.9 Ų22.92%0.01915%0.148CC..PPolyproline II helixtrans-84.5129.3-171.329.3-30.9000113.5A508 P509 D535 V573 P633A508-P571 HydrophobicContact CB-CB 4.06Å; A508-P571 HydrophobicContact CB-CG 4.1Å; P509-P571 WeakPolarHBondContact O-CB 2.87Å; D535-P571 HydrophobicContact CB-CG 4.48Å; P571-V573 WeakPolarHBondContact O-CG2 3.34Å; P571-V573 PolarHBondContact O-N 2.81Å; P571-P633 WeakPolarHBondContact O-CB 3.15Å
572D81.6Confident83.3Confident69 Ų6923.5 Ų23.537%0.36915%0.147SC..PPolyproline II helixtrans-72.3131.6170.6-74.1-12.4000110.2D510 V511 D634D510-D572 CarbonylContact C-O 3.57Å; D510-D572 WeakPolarHBondContact CA-O 2.98Å; D510-D572 WeakPolarHBondContact OD1-CB 3.37Å; D510-D572 PolarHBondContact OD1-N 2.94Å; V511-D572 PolarHBondContact N-O 3.11Å; D572-D634 CarbonylContact C-O 3.5Å; D572-D634 WeakPolarHBondContact CA-O 3.36Å; D572-D634 WeakPolarHBondContact OD1-CB 3.45Å; D572-D634 PolarHBondContact OD1-N 3.09Å
573V80.7Confident82.1Confident2 Ų226.4 Ų26.41%0.01217%0.172CC..EExtended strand (participates in β ladder)trans-118.6117.4-174.5-173.90000111.5V511 T531 T533 P571 T593 T595 D634 V635 S636V511-V573 HydrophobicContact CB-CG1 4.38Å; V511-V573 HydrophobicContact CB-CG2 4.29Å; V511-V573 CarbonylContact O-C 3.6Å; V511-V573 WeakPolarHBondContact O-CA 3.46Å; T531-V573 HydrophobicContact CG2-CG1 3.75Å; T533-V573 HydrophobicContact CG2-CG1 4.18Å; T533-V573 HydrophobicContact CG2-CG2 3.5Å; T533-V573 VanDerWaalsContact CG2-CG2 3.5Å; T533-V573 WeakPolarHBondContact OG1-CG2 3.37Å; P571-V573 WeakPolarHBondContact O-CG2 3.34Å; P571-V573 PolarHBondContact O-N 2.81Å; V573-T593 HydrophobicContact CG1-CG2 3.58Å; V573-T595 HydrophobicContact CB-CG2 3.76Å; V573-T595 HydrophobicContact CG1-CG2 4.18Å; V573-T595 HydrophobicContact CG2-CG2 3.4Å; V573-T595 VanDerWaalsContact CG2-CG2 3.4Å; V573-D634 PolarHBondContact N-O 3.05Å; V573-V635 HydrophobicContact CB-CG2 4.33Å; V573-V635 WeakPolarHBondContact O-CA 3.33Å; V573-S636 PolarHBondContact O-N 2.93Å
574S86Confident80.8Confident32 Ų3224 Ų2422%0.22416%0.156CC..EExtended strand (participates in β ladder)trans-114.3122.1173.266.10000111.6V511 S512 T513 S636V511-S574 PolarHBondContact O-N 3.27Å; S512-S574 WeakPolarHBondContact CA-O 3.43Å; S512-S574 WeakPolarHBondContact CA-OG 3.47Å; S512-S574 WeakPolarHBondContact CB-OG 3.47Å; T513-S574 PolarHBondContact N-O 3.23Å; S574-S636 CarbonylContact C-O 3.49Å; S574-S636 WeakPolarHBondContact CA-O 3.29Å; S574-S636 WeakPolarHBondContact CA-OG 3.39Å; S574-S636 WeakPolarHBondContact CB-OG 2.99Å
575T84.6Confident80Confident0 Ų026.8 Ų26.80%017%0.174CC..EExtended strand (participates in β ladder)trans-121108174.2-61.40000109.5T513 T529 T531 T591 T593 S636 T637 N638T513-T575 WeakPolarHBondContact O-CA 3.27Å; T529-T575 HydrophobicContact CG2-CG2 3.89Å; T531-T575 WeakPolarHBondContact CB-OG1 3.49Å; T531-T575 PolarHBondContact OG1-OG1 2.84Å; T575-T591 HydrophobicContact CG2-CG2 3.91Å; T575-T593 WeakPolarHBondContact OG1-CG2 2.83Å; T575-S636 PolarHBondContact N-O 2.92Å; T575-T637 WeakPolarHBondContact O-CA 3.29Å; T575-N638 PolarHBondContact O-N 2.77Å
576N85.5Confident79.4Confident47 Ų4728.5 Ų28.525%0.25118%0.178SC..EExtended strand (participates in β ladder)trans-113.6120.1-178.8-56-56.6000110.4T513 N514 S515 N638T513-N576 PolarHBondContact O-N 2.95Å; N514-N576 WeakPolarHBondContact CA-O 3.4Å; N514-N576 WeakPolarHBondContact OD1-CB 3.49Å; N514-N576 PolarHBondContact OD1-ND2 3.18Å; S515-N576 PolarHBondContact N-O 3.4Å; N576-N638 CarbonylContact C-O 3.58Å; N576-N638 WeakPolarHBondContact CA-O 3.32Å; N576-N638 WeakPolarHBondContact OD1-CB 3.47Å; N576-N638 PolarHBondContact OD1-ND2 2.93Å
577S82.9Confident79.2Confident2 Ų228.5 Ų28.51%0.01418%0.178CC..EExtended strand (participates in β ladder)trans-122.3122.2177.7-68.40000111.1S515 N638 S639 T640S515-S577 CarbonylContact O-C 3.58Å; S515-S577 WeakPolarHBondContact O-CA 3.38Å; S577-N638 PolarHBondContact N-O 2.9Å; S577-S639 WeakPolarHBondContact O-CA 3.47Å; S577-T640 PolarHBondContact O-N 2.91Å
578T86.4Confident78.9Confident60 Ų6028.6 Ų28.637%0.36818%0.179SC..EExtended strand (participates in β ladder)trans-113.8110.7171.6-600000109.2S515 T516 I517 T640S515-T578 PolarHBondContact O-N 2.87Å; T516-T578 CarbonylContact C-O 3.43Å; T516-T578 WeakPolarHBondContact CA-O 3.32Å; I517-T578 PolarHBondContact N-O 2.94Å; T578-T640 WeakPolarHBondContact CA-O 3.4Å
579I83.8Confident78.7Confident1 Ų128.7 Ų28.71%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-120.5123.4-174.5-59.6168.4000109.9I517 F525 F587 T589 T640 I641 T642I517-I579 HydrophobicContact CB-CG1 4.37Å; I517-I579 WeakPolarHBondContact O-CA 3.43Å; F525-I579 HydrophobicContact CE1-CG2 3.7Å; F525-I579 HydrophobicContact CZ-CG2 3.57Å; I579-F587 HydrophobicContact CG2-CE2 4.13Å; I579-F587 HydrophobicContact CG2-CZ 3.94Å; I579-T589 HydrophobicContact CD1-CG2 3.52Å; I579-T640 PolarHBondContact N-O 2.93Å; I579-I641 HydrophobicContact CB-CG1 4.46Å; I579-I641 WeakPolarHBondContact O-CA 3.31Å; I579-T642 PolarHBondContact O-N 2.89Å
580T83.6Confident78.6Confident54 Ų5428.2 Ų28.233%0.33118%0.177SC..EExtended strand (participates in β ladder)trans-121.3117.6173.5-58.30000110.2I517 T518 A519 T642I517-T580 PolarHBondContact O-N 2.91Å; T518-T580 WeakPolarHBondContact CA-O 3.47Å; A519-T580 PolarHBondContact N-O 2.93Å; T580-T642 WeakPolarHBondContact CA-O 3.33Å
581A76.7Confident78.7Confident0 Ų028.1 Ų28.10%018%0.176CC..EExtended strand (participates in β ladder)trans-125.9134.4176.200000111.8A519 F525 F587 T642 A643 S644A519-A581 WeakPolarHBondContact O-CA 3.48Å; F525-A581 HydrophobicContact CD2-CB 4.44Å; F525-A581 HydrophobicContact CE2-CB 4.46Å; A581-F587 HydrophobicContact CB-CD2 3.86Å; A581-F587 HydrophobicContact CB-CE2 3.6Å; A581-T642 PolarHBondContact N-O 2.96Å; A581-A643 WeakPolarHBondContact O-CA 3.05Å; A581-S644 PolarHBondContact O-N 2.97Å; A581-S644 PolarHBondContact O-OG 2.86Å
582S72.2Confident79.1Confident43 Ų4329.4 Ų29.430%0.30118%0.183SC..EExtended strand (participates in β ladder)trans-125.7133.417851.50000111.8A519 S520 A521A519-S582 PolarHBondContact O-N 3Å; A519-S582 VanDerWaalsContact O-N 3.09Å; S520-S582 WeakPolarHBondContact CA-OG 3.07Å; S520-S582 WeakPolarHBondContact CB-OG 3.42Å; A521-S582 PolarHBondContact N-O 3.26Å
583A65.2Low78.9Confident62 Ų6226.1 Ų26.151%0.51217%0.165SC..EExtended strand (participates in β ladder)trans59.571.4-179.600000114T522 S644T522-A583 PolarHBondContact N-O 2.9Å; A583-S644 PolarHBondContact N-O 2.92Å
584T64Low78.8Confident7 Ų728.1 Ų28.14%0.04318%0.178CC..EExtended strand (participates in β ladder)trans-118.4147.9-178.230.80000113.9T522 F525 A645 T646T522-T584 WeakPolarHBondContact O-CA 3.42Å; T522-T584 VanDerWaalsContact O-CG2 3.24Å; T522-T584 WeakPolarHBondContact O-CG2 3.48Å; T522-T584 WeakPolarHBondContact OG1-CG2 3.4Å; F525-T584 HydrophobicContact CB-CG2 3.94Å; T584-A645 PolarHBondContact N-O 3.04Å; T584-T646 VanDerWaalsContact O-CA 3.23Å; T584-T646 WeakPolarHBondContact O-CA 3.38Å; T584-T646 WeakPolarHBondContact OG1-CG2 3.46Å
585T68.9Low78.3Confident61 Ų6126.7 Ų26.737%0.37417%0.168SC..EExtended strand (participates in β ladder)trans-90.1-51.3171.261.70000110.9T523 T647 N648T523-T585 PolarHBondContact O-N 2.86Å; T523-T585 PolarHBondContact O-OG1 2.89Å; T585-T647 WeakPolarHBondContact O-CA 3.39Å; T585-T647 WeakPolarHBondContact O-CB 3.32Å; T585-T647 PolarHBondContact O-N 2.91Å; T585-T647 PolarHBondContact O-OG1 3.38Å; T585-N648 PolarHBondContact O-N 3.43Å
586N76.1Confident77.9Confident57 Ų5729.7 Ų29.731%0.30519%0.186SC..EExtended strand (participates in β ladder)trans-119.7124.7176.5-58.7-54.6000110.2T523 N524 F525 N648T523-N586 PolarHBondContact O-N 3.39Å; T523-N586 VanDerWaalsContact O-N 3.11Å; N524-N586 PolarHBondContact OD1-ND2 3Å; F525-N586 PolarHBondContact N-O 2.67Å; N586-N648 PolarHBondContact OD1-ND2 2.88Å
587F80.3Confident77.4Confident1 Ų127.7 Ų27.70%0.00418%0.176CC..EExtended strand (participates in β ladder)trans-119.3118178.5-177.4-80.9000110F525 I579 A581 T589 I641 A643 T646 N648 F649 T650F525-F587 HydrophobicContact CB-CD2 4.23Å; F525-F587 AromaticContact CD1-CD2 3.41Å; F525-F587 HydrophobicContact CD1-CD2 3.41Å; F525-F587 VanDerWaalsContact CD1-CD2 3.41Å; F525-F587 AromaticContact CD1-CE2 3.28Å; F525-F587 HydrophobicContact CD1-CE2 3.28Å; F525-F587 HydrophobicContact CD1-CG 4.22Å; F525-F587 HydrophobicContact CD1-CZ 4Å; F525-F587 AromaticContact CE1-CD2 3.97Å; F525-F587 HydrophobicContact CE1-CD2 3.97Å; F525-F587 AromaticContact CE1-CE2 3.31Å; F525-F587 HydrophobicContact CE1-CE2 3.31Å; F525-F587 AromaticContact CE1-CZ 3.78Å; F525-F587 HydrophobicContact CE1-CZ 3.78Å; F525-F587 AromaticContact CG-CD2 4Å; F525-F587 HydrophobicContact CG-CD2 4Å; F525-F587 HydrophobicContact CG-CE2 4.14Å; F525-F587 HydrophobicContact CZ-CE2 4.22Å; I579-F587 HydrophobicContact CG2-CE2 4.13Å; I579-F587 HydrophobicContact CG2-CZ 3.94Å; A581-F587 HydrophobicContact CB-CD2 3.86Å; A581-F587 HydrophobicContact CB-CE2 3.6Å; F587-T589 WeakPolarHBondContact CE1-OG1 3.5Å; F587-T589 VanDerWaalsContact CZ-OG1 3.26Å; F587-T589 WeakPolarHBondContact CZ-OG1 3.46Å; F587-I641 HydrophobicContact CE1-CG2 3.83Å; F587-I641 HydrophobicContact CZ-CG2 3.58Å; F587-A643 HydrophobicContact CD2-CB 4.4Å; F587-A643 HydrophobicContact CE2-CB 4.48Å; F587-T646 HydrophobicContact CB-CG2 3.79Å; F587-N648 PolarHBondContact N-O 3.28Å; F587-F649 HydrophobicContact CB-CD2 4.32Å; F587-F649 AromaticContact CD1-CD2 3.38Å; F587-F649 HydrophobicContact CD1-CD2 3.38Å; F587-F649 AromaticContact CD1-CE2 3.37Å; F587-F649 HydrophobicContact CD1-CE2 3.37Å; F587-F649 HydrophobicContact CD1-CG 4.23Å; F587-F649 HydrophobicContact CD1-CZ 4.21Å; F587-F649 AromaticContact CE1-CD2 3.92Å; F587-F649 HydrophobicContact CE1-CD2 3.92Å; F587-F649 AromaticContact CE1-CE2 3.37Å; F587-F649 HydrophobicContact CE1-CE2 3.37Å; F587-F649 AromaticContact CE1-CZ 3.97Å; F587-F649 HydrophobicContact CE1-CZ 3.97Å; F587-F649 HydrophobicContact CG-CD2 4.01Å; F587-F649 HydrophobicContact CG-CE2 4.24Å; F587-F649 HydrophobicContact CZ-CE2 4.24Å; F587-F649 WeakPolarHBondContact O-CA 3.38Å; F587-T650 PolarHBondContact O-N 2.96Å
588T81.7Confident77.1Confident49 Ų4928.8 Ų28.830%0.30119%0.187SC..EExtended strand (participates in β ladder)trans-129.2127.2178-55.20000109.7F525 T526 T527 T650F525-T588 PolarHBondContact O-N 3.19Å; T526-T588 VanDerWaalsContact CA-O 3.31Å; T526-T588 WeakPolarHBondContact CA-O 3.36Å; T527-T588 PolarHBondContact N-O 2.91Å; T588-T650 WeakPolarHBondContact CA-O 3.47Å
589T80.5Confident76.9Confident2 Ų226 Ų261%0.01217%0.17CC..EExtended strand (participates in β ladder)trans-130.6137173.8-64.20000109.3T527 I579 F587 I641 T650 T651 T652T527-T589 CarbonylContact O-C 3.54Å; T527-T589 WeakPolarHBondContact O-CA 3.34Å; T527-T589 WeakPolarHBondContact OG1-CG2 3.41Å; T527-T589 PolarHBondContact OG1-OG1 2.84Å; T527-T589 VanDerWaalsContact OG1-OG1 3.1Å; I579-T589 HydrophobicContact CD1-CG2 3.52Å; F587-T589 WeakPolarHBondContact CE1-OG1 3.5Å; F587-T589 VanDerWaalsContact CZ-OG1 3.26Å; F587-T589 WeakPolarHBondContact CZ-OG1 3.46Å; T589-I641 HydrophobicContact CG2-CD1 4.09Å; T589-T650 PolarHBondContact N-O 3.13Å; T589-T651 VanDerWaalsContact O-CA 3.32Å; T589-T651 WeakPolarHBondContact O-CA 3.28Å; T589-T652 PolarHBondContact O-N 3.15Å
590T81.7Confident76.6Confident37 Ų3728.4 Ų28.423%0.22718%0.183CC..EExtended strand (participates in β ladder)trans-132.1129.8175.3-57.40000108.9T527 T528 T529T527-T590 PolarHBondContact O-N 3.14Å; T528-T590 WeakPolarHBondContact CA-O 3.41Å; T529-T590 PolarHBondContact N-O 3.27Å
591T78.6Confident76.3Confident2 Ų225.9 Ų25.91%0.01217%0.167CC..EExtended strand (participates in β ladder)trans-128.3119177.2-55.40000108.2T529 T575 T637 T652 T653T529-T591 CarbonylContact O-C 3.6Å; T529-T591 VanDerWaalsContact O-CA 3.29Å; T529-T591 WeakPolarHBondContact O-CA 3.45Å; T575-T591 HydrophobicContact CG2-CG2 3.91Å; T591-T637 HydrophobicContact CG2-CG2 3.89Å; T591-T652 PolarHBondContact N-O 3.29Å; T591-T653 VanDerWaalsContact O-CA 3.26Å; T591-T653 WeakPolarHBondContact O-CA 3.26Å
592T79.8Confident75.8Confident29 Ų2927.7 Ų27.718%0.17818%0.18CC..EExtended strand (participates in β ladder)trans-126.7125.1-177.3-60.40000108.1T529 T530 T531 T594 T654 T655T529-T592 PolarHBondContact O-N 3.15Å; T530-T592 CarbonylContact C-O 3.54Å; T530-T592 VanDerWaalsContact CA-O 3.3Å; T530-T592 WeakPolarHBondContact CA-O 3.46Å; T531-T592 PolarHBondContact N-O 2.93Å; T592-T594 HydrophobicContact CG2-CG2 3.91Å; T592-T654 WeakPolarHBondContact CG2-OG1 3.47Å; T592-T654 PolarHBondContact OG1-OG1 2.9Å; T592-T655 HydrophobicContact CG2-CG2 4.37Å
593T77.7Confident75.2Confident0 Ų025.9 Ų25.90%017%0.167CC..EExtended strand (participates in β ladder)trans-123.767.1-174.4-50.30000111.4T531 V573 T575 T595 V635 T637 T654 T655T531-T593 CarbonylContact O-C 3.53Å; T531-T593 VanDerWaalsContact O-C 3.25Å; T531-T593 VanDerWaalsContact O-CA 3.24Å; T531-T593 WeakPolarHBondContact O-CA 3.4Å; V573-T593 HydrophobicContact CG1-CG2 3.58Å; T575-T593 WeakPolarHBondContact OG1-CG2 2.83Å; T593-T595 PolarHBondContact O-N 2.93Å; T593-V635 HydrophobicContact CG2-CG1 3.77Å; T593-T637 WeakPolarHBondContact CB-OG1 3.5Å; T593-T637 PolarHBondContact OG1-OG1 3.44Å; T593-T654 PolarHBondContact N-O 3.49Å; T593-T655 VanDerWaalsContact C-CB 3.48Å; T593-T655 VanDerWaalsContact C-OG1 3.25Å; T593-T655 WeakPolarHBondContact O-CB 3.48Å; T593-T655 WeakPolarHBondContact O-CG2 3.38Å; T593-T655 PolarHBondContact O-OG1 3.49Å
594T78Confident74.9Confident44 Ų4426.3 Ų26.327%0.2717%0.166SC..EExtended strand (participates in β ladder)trans-78.4115-171.9510000111.1T531 T532 T533 T592 T655T531-T594 PolarHBondContact O-N 3.2Å; T531-T594 PolarHBondContact O-OG1 3.04Å; T532-T594 CarbonylContact C-O 3.44Å; T532-T594 VanDerWaalsContact CA-O 3.24Å; T532-T594 WeakPolarHBondContact CA-O 3.36Å; T532-T594 WeakPolarHBondContact CA-OG1 3.37Å; T532-T594 WeakPolarHBondContact CB-OG1 3.13Å; T532-T594 WeakPolarHBondContact CG2-OG1 3.29Å; T532-T594 PolarHBondContact OG1-OG1 2.89Å; T533-T594 PolarHBondContact N-O 3.31Å; T592-T594 HydrophobicContact CG2-CG2 3.91Å; T594-T655 HydrophobicContact CG2-CG2 3.27Å; T594-T655 VanDerWaalsContact N-CG2 3.26Å
595T76Confident75.1Confident2 Ų227 Ų271%0.01217%0.171CC..EExtended strand (participates in β ladder)trans-106.9135.9166.368.70000108.4T533 V573 T593 V635 T656 T657T533-T595 WeakPolarHBondContact O-CA 3.11Å; T533-T595 WeakPolarHBondContact OG1-CA 3.46Å; T533-T595 WeakPolarHBondContact OG1-CB 3.48Å; T533-T595 VanDerWaalsContact OG1-CG2 3.23Å; T533-T595 WeakPolarHBondContact OG1-CG2 3.49Å; V573-T595 HydrophobicContact CB-CG2 3.76Å; V573-T595 HydrophobicContact CG1-CG2 4.18Å; V573-T595 HydrophobicContact CG2-CG2 3.4Å; V573-T595 VanDerWaalsContact CG2-CG2 3.4Å; T593-T595 PolarHBondContact O-N 2.93Å; T595-V635 HydrophobicContact CG2-CG1 4.43Å; T595-V635 HydrophobicContact CG2-CG2 3.48Å; T595-V635 VanDerWaalsContact CG2-CG2 3.48Å; T595-T656 HydrophobicContact CG2-CG2 4.32Å; T595-T656 VanDerWaalsContact OG1-CB 3.29Å; T595-T656 WeakPolarHBondContact OG1-CB 3.35Å; T595-T656 WeakPolarHBondContact OG1-CG2 3.41Å; T595-T657 PolarHBondContact O-N 3.47Å; T595-T657 VanDerWaalsContact O-N 3.13Å
596T77.2Confident75.5Confident63 Ų6324 Ų2439%0.38715%0.153SC..EExtended strand (participates in β ladder)trans-134.5118.4171.2-57.50000108.1T533 T534 D535 T657T533-T596 PolarHBondContact O-N 2.92Å; T534-T596 CarbonylContact C-O 3.53Å; T534-T596 VanDerWaalsContact CA-O 3.3Å; T534-T596 WeakPolarHBondContact CA-O 3.02Å; D535-T596 PolarHBondContact N-O 3.06Å; T596-T657 VanDerWaalsContact CA-O 3.29Å; T596-T657 WeakPolarHBondContact CA-O 3.29Å
597D75Confident75.8Confident6 Ų623.7 Ų23.73%0.03215%0.151CC..  trans-118.7151.8169.9-17827.5000109.2A570 P633 G659A570-D597 HydrophobicContact CB-CB 4.01Å; A570-D597 WeakPolarHBondContact CB-OD2 3.46Å; D597-P633 HydrophobicContact CB-CG 4.42Å; D597-G659 PolarHBondContact O-N 2.82Å
598G74.9Confident76Confident25 Ų2523.9 Ų23.926%0.25815%0.152SC..  trans-155.198.2177.600000112.5F537 N600F537-G598 PolarHBondContact N-O 3.43Å; G598-N600 PolarHBondContact O-N 3.24Å
599F82.7Confident76.3Confident1 Ų123.9 Ų23.90%0.00416%0.157CC..  trans-68.9115.3167.4-178.6-88.7000111.7F537 V566 D568 Q601 V628 D630 F660 N661F537-F599 HydrophobicContact CB-CD2 4.12Å; F537-F599 AromaticContact CD1-CD2 3.57Å; F537-F599 HydrophobicContact CD1-CD2 3.57Å; F537-F599 AromaticContact CD1-CE2 3.45Å; F537-F599 HydrophobicContact CD1-CE2 3.45Å; F537-F599 VanDerWaalsContact CD1-CE2 3.45Å; F537-F599 HydrophobicContact CD1-CG 4.36Å; F537-F599 HydrophobicContact CD1-CZ 4.14Å; F537-F599 HydrophobicContact CE1-CD2 4.23Å; F537-F599 AromaticContact CE1-CE2 3.62Å; F537-F599 HydrophobicContact CE1-CE2 3.62Å; F537-F599 HydrophobicContact CE1-CZ 4.05Å; F537-F599 AromaticContact CG-CD2 3.99Å; F537-F599 HydrophobicContact CG-CD2 3.99Å; F537-F599 HydrophobicContact CG-CE2 4.12Å; F537-F599 HydrophobicContact CZ-CE2 4.4Å; V566-F599 HydrophobicContact CG1-CE2 4.07Å; V566-F599 HydrophobicContact CG1-CZ 4.34Å; D568-F599 HydrophobicContact CB-CD2 3.6Å; D568-F599 HydrophobicContact CB-CE2 4.05Å; D568-F599 WeakPolarHBondContact OD2-CD2 3.25Å; F599-Q601 HydrophobicContact CE1-CB 3.58Å; F599-Q601 HydrophobicContact CZ-CB 3.83Å; F599-V628 HydrophobicContact CE1-CG1 3.99Å; F599-V628 HydrophobicContact CE2-CG1 4.08Å; F599-V628 HydrophobicContact CZ-CG1 3.42Å; F599-V628 VanDerWaalsContact CZ-CG1 3.42Å; F599-D630 HydrophobicContact CB-CB 4.28Å; F599-D630 WeakPolarHBondContact CB-OD2 3.35Å; F599-D630 HydrophobicContact CD2-CB 4.34Å; F599-D630 HydrophobicContact CG-CB 4.31Å; F599-F660 HydrophobicContact CB-CD2 4.04Å; F599-F660 AromaticContact CD1-CD2 3.62Å; F599-F660 HydrophobicContact CD1-CD2 3.62Å; F599-F660 AromaticContact CD1-CE2 3.45Å; F599-F660 HydrophobicContact CD1-CE2 3.45Å; F599-F660 VanDerWaalsContact CD1-CE2 3.45Å; F599-F660 HydrophobicContact CD1-CG 4.38Å; F599-F660 HydrophobicContact CD1-CZ 4.09Å; F599-F660 HydrophobicContact CE1-CD2 4.33Å; F599-F660 AromaticContact CE1-CE2 3.69Å; F599-F660 HydrophobicContact CE1-CE2 3.69Å; F599-F660 HydrophobicContact CE1-CZ 4.07Å; F599-F660 AromaticContact CG-CD2 3.96Å; F599-F660 HydrophobicContact CG-CD2 3.96Å; F599-F660 HydrophobicContact CG-CE2 4.06Å; F599-F660 HydrophobicContact CZ-CE2 4.45Å; F599-N661 CarbonylContact O-C 3.08Å; F599-N661 VanDerWaalsContact O-CA 3.29Å; F599-N661 WeakPolarHBondContact O-CA 3.48Å; F599-N661 PolarHBondContact O-N 3.25Å; F599-N661 VanDerWaalsContact O-O 3.09Å
600N78.5Confident76.7Confident52 Ų5223.9 Ų23.928%0.27816%0.157SC..BIsolated β-bridgetrans-123.9106.5174.9-164.8-30.8000112.8F537 N538 Q539 G598 S602 N661F537-N600 CarbonylContact O-C 3.51Å; F537-N600 WeakPolarHBondContact O-CA 2.87Å; F537-N600 PolarHBondContact O-N 3.35Å; N538-N600 WeakPolarHBondContact CA-O 3.47Å; Q539-N600 PolarHBondContact N-O 2.9Å; G598-N600 PolarHBondContact O-N 3.24Å; N600-S602 PolarHBondContact OD1-N 3.23Å; N600-N661 WeakPolarHBondContact CA-O 3.13Å
601Q75.7Confident77Confident0 Ų024.3 Ų24.30%016%0.162CC..  trans-11285.3171-169.7177.2105.600112.2Q539 F599 K603 N661 S663Q539-Q601 HydrophobicContact CB-CG 4.41Å; F599-Q601 HydrophobicContact CE1-CB 3.58Å; F599-Q601 HydrophobicContact CZ-CB 3.83Å; Q601-K603 HydrophobicContact CG-CD 4.3Å; Q601-K603 HydrophobicContact CG-CG 4.24Å; Q601-K603 VanDerWaalsContact OE1-NZ 3.12Å; Q601-N661 PolarHBondContact N-O 2.72Å; Q601-N661 VanDerWaalsContact N-O 3.07Å; Q601-S663 PolarHBondContact O-N 3.36Å; Q601-S663 VanDerWaalsContact O-O 3.12Å
602S66.4Low77.4Confident39 Ų3924.4 Ų24.427%0.27316%0.163SC..  trans-92.3101.5176.857.60000112.7Q539 S540 K541 N600 S663Q539-S602 PolarHBondContact O-N 3.44Å; S540-S602 WeakPolarHBondContact CA-O 3.18Å; K541-S602 PolarHBondContact N-O 3.45Å; K541-S602 VanDerWaalsContact N-O 3.11Å; N600-S602 PolarHBondContact OD1-N 3.23Å; S602-S663 VanDerWaalsContact CA-O 3.31Å; S602-S663 WeakPolarHBondContact CA-O 3.46Å
603K60.8Low77.6Confident5 Ų524.8 Ų24.82%0.02217%0.167CC..BIsolated β-bridgetrans-114.7129179.3-64.7-178.4176.7148.70113K541 Y564 Q601 S663 K664 S665K541-K603 HydrophobicContact CB-CG 4.26Å; K541-K603 WeakPolarHBondContact O-CA 3.13Å; Y564-K603 PolarHBondContact OH-NZ 3.48Å; Q601-K603 HydrophobicContact CG-CD 4.3Å; Q601-K603 HydrophobicContact CG-CG 4.24Å; Q601-K603 VanDerWaalsContact OE1-NZ 3.12Å; K603-S663 PolarHBondContact N-O 3.03Å; K603-K664 HydrophobicContact CB-CG 4.3Å; K603-S665 PolarHBondContact O-N 2.89Å; K603-S665 PolarHBondContact O-OG 2.8Å
604S57.6Low77.9Confident70 Ų7024.8 Ų24.849%0.4917%0.167SC..SBendtrans-83.10.8172580000115.6K541 S542 S665K541-S604 PolarHBondContact O-N 3.25Å; S542-S604 WeakPolarHBondContact CA-OG 3.33Å; S542-S604 CarbonylContact O-C 3.58Å; S542-S604 PolarHBondContact O-OG 3.31Å; S604-S665 WeakPolarHBondContact CA-OG 2.94Å; S604-S665 PolarHBondContact O-OG 3.06Å
605S69.5Low77.9Confident21 Ų2124.6 Ų24.615%0.14717%0.166CC..  trans173.9142.3149.644.70000111.9S543 L544 S665 S666S543-S605 WeakPolarHBondContact CA-O 3.09Å; L544-S605 PolarHBondContact N-O 3.22Å; S605-S665 PolarHBondContact N-OG 2.82Å; S605-S666 WeakPolarHBondContact CB-OG 3.33Å
606L76Confident77.8Confident0 Ų028.6 Ų28.60%019%0.19CC..EExtended strand (participates in β ladder)trans-114.5111.8166.9170.754.4000108.8L544 V608 Y626 S666 L667 N668L544-L606 HydrophobicContact CB-CD1 3.81Å; L544-L606 HydrophobicContact CD2-CD1 3.54Å; L544-L606 HydrophobicContact CG-CD1 3.46Å; L544-L606 VanDerWaalsContact CG-CD1 3.46Å; L606-V608 HydrophobicContact CD1-CG2 3.48Å; L606-V608 VanDerWaalsContact CD1-CG2 3.48Å; L606-V608 HydrophobicContact CD2-CG2 4.48Å; L606-V608 HydrophobicContact CG-CG2 3.92Å; L606-Y626 HydrophobicContact CD2-CD2 4.39Å; L606-Y626 HydrophobicContact CD2-CE2 3.61Å; L606-S666 PolarHBondContact N-O 3.23Å; L606-L667 HydrophobicContact CB-CD1 3.83Å; L606-L667 HydrophobicContact CD2-CD1 3.54Å; L606-L667 HydrophobicContact CG-CD1 3.49Å; L606-L667 VanDerWaalsContact CG-CD1 3.49Å; L606-N668 PolarHBondContact O-N 2.84Å
607N83.4Confident77.4Confident50 Ų5025.6 Ų25.627%0.26717%0.172SC..EExtended strand (participates in β ladder)trans-113.7113.8177.3-56.4-57.5000109.3L544 N545 V546 N668L544-N607 PolarHBondContact O-N 2.93Å; N545-N607 WeakPolarHBondContact CA-O 3.18Å; N545-N607 WeakPolarHBondContact OD1-CB 3.44Å; N545-N607 PolarHBondContact OD1-ND2 3.26Å; V546-N607 PolarHBondContact N-O 2.85Å; N607-N668 WeakPolarHBondContact CA-O 2.91Å; N607-N668 WeakPolarHBondContact OD1-CB 3.45Å; N607-N668 PolarHBondContact OD1-ND2 3.01Å
608V85.1Confident77.7Confident4 Ų427.6 Ų27.62%0.02419%0.187CC..EExtended strand (participates in β ladder)trans-119.7119.1179.2-1740000108.9V546 F562 L606 V610 F624 N668 V669 A670V546-V608 HydrophobicContact CB-CG1 4.45Å; V546-V608 WeakPolarHBondContact O-CA 3.18Å; F562-V608 HydrophobicContact CE1-CG1 3.91Å; F562-V608 HydrophobicContact CE2-CG1 3.86Å; F562-V608 HydrophobicContact CZ-CG1 3.46Å; F562-V608 VanDerWaalsContact CZ-CG1 3.46Å; F562-V608 HydrophobicContact CZ-CG2 4.45Å; L606-V608 HydrophobicContact CD1-CG2 3.48Å; L606-V608 VanDerWaalsContact CD1-CG2 3.48Å; L606-V608 HydrophobicContact CD2-CG2 4.48Å; L606-V608 HydrophobicContact CG-CG2 3.92Å; V608-V610 HydrophobicContact CG1-CG2 3.93Å; V608-F624 HydrophobicContact CG1-CE2 3.69Å; V608-F624 HydrophobicContact CG1-CZ 4.2Å; V608-N668 PolarHBondContact N-O 3.13Å; V608-V669 HydrophobicContact CB-CG1 4.44Å; V608-V669 WeakPolarHBondContact O-CA 3.38Å; V608-A670 PolarHBondContact O-N 3.39Å
609A86.5Confident78Confident49 Ų4928.4 Ų28.441%0.40519%0.186SC..EExtended strand (participates in β ladder)trans-118.6111.3176.300000109.1V546 A547 V548 A670V546-A609 PolarHBondContact O-N 3.35Å; A547-A609 WeakPolarHBondContact CA-O 3.31Å; V548-A609 PolarHBondContact N-O 3.45Å; A609-A670 CarbonylContact C-O 3.56Å; A609-A670 WeakPolarHBondContact CA-O 3.42Å
610V89.4Confident78.3Confident2 Ų228.3 Ų28.31%0.01219%0.186CC..EExtended strand (participates in β ladder)trans-114.8123177.1-174.20000108.5V548 Q560 F562 V608 F624 A670 V671 S672V548-V610 HydrophobicContact CB-CG2 4.48Å; V548-V610 WeakPolarHBondContact O-CA 3.16Å; Q560-V610 VanDerWaalsContact OE1-CG1 3.23Å; F562-V610 HydrophobicContact CB-CG2 4.32Å; F562-V610 HydrophobicContact CD2-CG2 3.74Å; F562-V610 HydrophobicContact CE2-CG2 4.21Å; F562-V610 HydrophobicContact CG-CG2 3.99Å; V608-V610 HydrophobicContact CG1-CG2 3.93Å; V610-F624 HydrophobicContact CG2-CD2 3.98Å; V610-F624 HydrophobicContact CG2-CE2 4.05Å; V610-A670 PolarHBondContact N-O 2.96Å; V610-V671 WeakPolarHBondContact O-CA 3.42Å; V610-S672 PolarHBondContact O-N 3.29Å; V610-S672 PolarHBondContact O-OG 2.84Å
611S89Confident78.7Confident46 Ų4628.2 Ų28.232%0.32219%0.186SC..EExtended strand (participates in β ladder)trans-130.2135.8179.860.10000111.1V548 S549 A550 Q560 S672V548-S611 PolarHBondContact O-N 3.39Å; V548-S611 PolarHBondContact O-OG 3.2Å; S549-S611 WeakPolarHBondContact CA-O 3.22Å; S549-S611 WeakPolarHBondContact CB-OG 3.38Å; A550-S611 PolarHBondContact N-O 3.03Å; Q560-S611 PolarHBondContact NE2-O 3.15Å; Q560-S611 VanDerWaalsContact NE2-O 3.14Å; S611-S672 WeakPolarHBondContact CA-O 3.4Å; S611-S672 WeakPolarHBondContact CB-OG 3.37Å
612A86.9Confident79.3Confident5 Ų528.6 Ų28.64%0.04119%0.187CC..EExtended strand (participates in β ladder)trans-140.6138.4176.400000111.3A550 F558 Q560 F620 S672 A673 S674A550-A612 WeakPolarHBondContact O-CA 3.38Å; F558-A612 HydrophobicContact CE1-CB 3.4Å; F558-A612 HydrophobicContact CZ-CB 3.4Å; Q560-A612 VanDerWaalsContact OE1-CB 3.28Å; A612-F620 HydrophobicContact CB-CE2 3.81Å; A612-F620 HydrophobicContact CB-CZ 3.51Å; A612-S672 PolarHBondContact N-O 2.89Å; A612-A673 WeakPolarHBondContact O-CA 3.48Å; A612-S674 PolarHBondContact O-N 3.01Å; A612-S674 VanDerWaalsContact O-N 3.09Å
613S84.4Confident80.2Confident37 Ų3728.2 Ų28.226%0.25919%0.19SC..EExtended strand (participates in β ladder)trans-136.7124.9178.1-169.30000111.2A550 N552 P615 S674A550-S613 PolarHBondContact O-N 2.88Å; A550-S613 VanDerWaalsContact O-N 3.09Å; N552-S613 PolarHBondContact N-O 3.47Å; S613-P615 WeakPolarHBondContact OG-CD 3.37Å; S613-S674 WeakPolarHBondContact CA-O 3.49Å
614N83.6Confident81.6Confident0 Ų028 Ų280%019%0.189CC..  trans-134.573.4168.7-171.9-1.6000110.5N552 G555 F558 V616 G617 F620 S674 N675N552-N614 WeakPolarHBondContact O-CA 3.31Å; N552-N614 PolarHBondContact O-OD1 3.14Å; G555-N614 PolarHBondContact O-ND2 2.69Å; G555-N614 PolarHBondContact O-OD1 3.29Å; F558-N614 HydrophobicContact CB-CB 4.06Å; F558-N614 WeakPolarHBondContact CB-ND2 3.5Å; F558-N614 HydrophobicContact CD2-CB 4.33Å; F558-N614 HydrophobicContact CG-CB 4.23Å; N614-V616 VanDerWaalsContact C-N 3.29Å; N614-V616 PolarHBondContact O-N 3.38Å; N614-V616 VanDerWaalsContact O-N 3.16Å; N614-G617 WeakPolarHBondContact ND2-CA 3.41Å; N614-G617 VanDerWaalsContact OD1-CA 3.24Å; N614-G617 WeakPolarHBondContact OD1-CA 3.48Å; N614-G617 PolarHBondContact OD1-N 3.34Å; N614-G617 VanDerWaalsContact OD1-N 3.08Å; N614-F620 HydrophobicContact CB-CD2 3.67Å; N614-F620 HydrophobicContact CB-CE2 4.22Å; N614-S674 PolarHBondContact N-O 2.91Å; N614-N675 WeakPolarHBondContact O-CA 3.47Å; N614-N675 VanDerWaalsContact O-CG 3.23Å; N614-N675 PolarHBondContact O-OD1 2.98Å
615P77Confident83.1Confident39 Ų3927.5 Ų27.525%0.25318%0.183SC..THydrogen-bonded Turntrans-48.3-38-175.9-2730.1000117S613 P676 V677S613-P615 WeakPolarHBondContact OG-CD 3.37Å; P615-P676 HydrophobicContact CB-CG 4.2Å; P615-V677 WeakPolarHBondContact O-CB 3.33Å; P615-V677 VanDerWaalsContact O-CG2 3.26Å; P615-V677 WeakPolarHBondContact O-CG2 3.45Å; P615-V677 PolarHBondContact O-N 3.06Å
616V73.5Confident83.9Confident86 Ų8626.7 Ų26.752%0.52118%0.176SC..THydrogen-bonded Turntrans-120.59.6-169.8-157.90000112.8P553 N614P553-V616 WeakPolarHBondContact O-CB 3.37Å; P553-V616 VanDerWaalsContact O-CG2 3.28Å; P553-V616 WeakPolarHBondContact O-CG2 3.37Å; P553-V616 PolarHBondContact O-N 3.43Å; P553-V616 VanDerWaalsContact O-N 3.15Å; N614-V616 VanDerWaalsContact C-N 3.29Å; N614-V616 PolarHBondContact O-N 3.38Å; N614-V616 VanDerWaalsContact O-N 3.16Å
617G70Confident84.3Confident1 Ų127.7 Ų27.71%0.0119%0.187CC..  trans-90.8141.3-170.100000116.4G555 N614 T619 N675 G678G555-G617 WeakPolarHBondContact O-CA 3.37Å; N614-G617 WeakPolarHBondContact ND2-CA 3.41Å; N614-G617 VanDerWaalsContact OD1-CA 3.24Å; N614-G617 WeakPolarHBondContact OD1-CA 3.48Å; N614-G617 PolarHBondContact OD1-N 3.34Å; N614-G617 VanDerWaalsContact OD1-N 3.08Å; G617-T619 PolarHBondContact O-N 3.12Å; G617-N675 PolarHBondContact O-ND2 3.17Å; G617-N675 PolarHBondContact O-OD1 2.74Å; G617-G678 WeakPolarHBondContact O-CA 3.39Å
618S80.2Confident84.3Confident48 Ų4825.4 Ų25.434%0.33618%0.175SC..SBendtrans-62.9-39.6-178.640.80000114.4S556 S679 T680S556-S618 WeakPolarHBondContact CA-OG 3.5Å; S556-S618 PolarHBondContact O-N 3.39Å; S556-S618 PolarHBondContact O-OG 2.92Å; S618-S679 WeakPolarHBondContact CA-OG 3.2Å; S618-S679 PolarHBondContact O-N 3.27Å; S618-S679 PolarHBondContact O-OG 2.8Å; S618-T680 PolarHBondContact O-N 2.83Å
619T82.6Confident84.4Confident41 Ų4127.4 Ų27.425%0.25219%0.187SC..EExtended strand (participates in β ladder)trans-131.1126.3-174.8-50.40000110.8S556 T557 F558 G617S556-T619 PolarHBondContact O-N 2.81Å; T557-T619 WeakPolarHBondContact CA-O 3.34Å; F558-T619 PolarHBondContact N-O 3.47Å; G617-T619 PolarHBondContact O-N 3.12Å
620F87.7Confident84.3Confident0 Ų025.1 Ų25.10%017%0.168CC..EExtended strand (participates in β ladder)trans-128.3123.1177.6-178.4-80.3000110.8F558 A612 N614 Q622 A673 N675 T680 F681 N682F558-F620 HydrophobicContact CB-CD2 4.12Å; F558-F620 AromaticContact CD1-CD2 3.5Å; F558-F620 HydrophobicContact CD1-CD2 3.5Å; F558-F620 AromaticContact CD1-CE2 3.41Å; F558-F620 HydrophobicContact CD1-CE2 3.41Å; F558-F620 VanDerWaalsContact CD1-CE2 3.41Å; F558-F620 HydrophobicContact CD1-CG 4.29Å; F558-F620 HydrophobicContact CD1-CZ 4.09Å; F558-F620 HydrophobicContact CE1-CD2 4.14Å; F558-F620 AromaticContact CE1-CE2 3.55Å; F558-F620 HydrophobicContact CE1-CE2 3.55Å; F558-F620 AromaticContact CE1-CZ 3.97Å; F558-F620 HydrophobicContact CE1-CZ 3.97Å; F558-F620 AromaticContact CG-CD2 3.94Å; F558-F620 HydrophobicContact CG-CD2 3.94Å; F558-F620 HydrophobicContact CG-CE2 4.1Å; F558-F620 HydrophobicContact CZ-CE2 4.28Å; A612-F620 HydrophobicContact CB-CE2 3.81Å; A612-F620 HydrophobicContact CB-CZ 3.51Å; N614-F620 HydrophobicContact CB-CD2 3.67Å; N614-F620 HydrophobicContact CB-CE2 4.22Å; F620-Q622 HydrophobicContact CE1-CB 3.66Å; F620-Q622 HydrophobicContact CZ-CB 4.17Å; F620-A673 HydrophobicContact CE1-CB 3.38Å; F620-A673 HydrophobicContact CZ-CB 3.39Å; F620-N675 HydrophobicContact CB-CB 4.12Å; F620-N675 WeakPolarHBondContact CB-ND2 3.49Å; F620-N675 HydrophobicContact CD2-CB 4.36Å; F620-N675 HydrophobicContact CG-CB 4.26Å; F620-T680 PolarHBondContact N-O 2.93Å; F620-F681 HydrophobicContact CB-CD2 4.1Å; F620-F681 AromaticContact CD1-CD2 3.48Å; F620-F681 HydrophobicContact CD1-CD2 3.48Å; F620-F681 VanDerWaalsContact CD1-CD2 3.48Å; F620-F681 AromaticContact CD1-CE2 3.4Å; F620-F681 HydrophobicContact CD1-CE2 3.4Å; F620-F681 VanDerWaalsContact CD1-CE2 3.4Å; F620-F681 HydrophobicContact CD1-CG 4.29Å; F620-F681 HydrophobicContact CD1-CZ 4.11Å; F620-F681 HydrophobicContact CE1-CD2 4.13Å; F620-F681 AromaticContact CE1-CE2 3.54Å; F620-F681 HydrophobicContact CE1-CE2 3.54Å; F620-F681 AromaticContact CE1-CZ 4Å; F620-F681 HydrophobicContact CE1-CZ 4Å; F620-F681 AromaticContact CG-CD2 3.92Å; F620-F681 HydrophobicContact CG-CD2 3.92Å; F620-F681 HydrophobicContact CG-CE2 4.1Å; F620-F681 HydrophobicContact CZ-CE2 4.29Å; F620-N682 PolarHBondContact O-N 3.37Å
621N88.3Confident83.9Confident50 Ų5027.2 Ų27.227%0.26718%0.181SC..EExtended strand (participates in β ladder)trans-125.9124.1174.7-57.3-52.9000110.1F558 N559 Q560 N682F558-N621 PolarHBondContact O-N 3.4Å; N559-N621 WeakPolarHBondContact CA-O 3.3Å; N559-N621 PolarHBondContact OD1-ND2 2.91Å; Q560-N621 PolarHBondContact N-O 3.36Å; N621-N682 WeakPolarHBondContact CA-O 3.26Å; N621-N682 PolarHBondContact OD1-ND2 3.16Å
622Q88.5Confident83.3Confident7 Ų725.1 Ų25.13%0.03317%0.167CC..EExtended strand (participates in β ladder)trans-127.3123.9171.2-178.6-175.563.900109.7Q560 F620 S672 A673 N682 Q683 G684Q560-Q622 CarbonylContact O-C 3.53Å; Q560-Q622 WeakPolarHBondContact O-CA 3.4Å; F620-Q622 HydrophobicContact CE1-CB 3.66Å; F620-Q622 HydrophobicContact CZ-CB 4.17Å; Q622-S672 PolarHBondContact NE2-O 2.84Å; Q622-S672 VanDerWaalsContact NE2-O 3.15Å; Q622-A673 VanDerWaalsContact OE1-CB 3.3Å; Q622-N682 PolarHBondContact N-O 2.92Å; Q622-Q683 CarbonylContact O-C 3.59Å; Q622-Q683 WeakPolarHBondContact O-CA 3.22Å; Q622-G684 PolarHBondContact O-N 2.9Å
623G85.1Confident82.7Confident31 Ų3125 Ų2532%0.3217%0.165SC..EExtended strand (participates in β ladder)trans-116.7133.7174.700000111.5Q560 F562Q560-G623 PolarHBondContact O-N 3.46Å; F562-G623 PolarHBondContact N-O 2.91Å
624F89.2Confident82.4Confident2 Ų226.3 Ų26.31%0.00917%0.169CC..EExtended strand (participates in β ladder)trans-126.6120.8171.8-176.6-81.5000109.5F562 V608 V610 V669 V671 G684 F685 T686F562-F624 HydrophobicContact CB-CD2 4.01Å; F562-F624 AromaticContact CD1-CD2 3.44Å; F562-F624 HydrophobicContact CD1-CD2 3.44Å; F562-F624 VanDerWaalsContact CD1-CD2 3.44Å; F562-F624 AromaticContact CD1-CE2 3.23Å; F562-F624 HydrophobicContact CD1-CE2 3.23Å; F562-F624 HydrophobicContact CD1-CG 4.27Å; F562-F624 AromaticContact CD1-CZ 3.92Å; F562-F624 HydrophobicContact CD1-CZ 3.92Å; F562-F624 HydrophobicContact CE1-CD2 4.15Å; F562-F624 AromaticContact CE1-CE2 3.45Å; F562-F624 HydrophobicContact CE1-CE2 3.45Å; F562-F624 VanDerWaalsContact CE1-CE2 3.45Å; F562-F624 AromaticContact CE1-CZ 3.85Å; F562-F624 HydrophobicContact CE1-CZ 3.85Å; F562-F624 AromaticContact CG-CD2 3.85Å; F562-F624 HydrophobicContact CG-CD2 3.85Å; F562-F624 AromaticContact CG-CE2 3.94Å; F562-F624 HydrophobicContact CG-CE2 3.94Å; F562-F624 HydrophobicContact CZ-CE2 4.29Å; F562-F624 WeakPolarHBondContact O-CA 3.41Å; V608-F624 HydrophobicContact CG1-CE2 3.69Å; V608-F624 HydrophobicContact CG1-CZ 4.2Å; V610-F624 HydrophobicContact CG2-CD2 3.98Å; V610-F624 HydrophobicContact CG2-CE2 4.05Å; F624-V669 HydrophobicContact CE1-CG1 3.91Å; F624-V669 HydrophobicContact CE2-CG1 3.84Å; F624-V669 HydrophobicContact CZ-CG1 3.46Å; F624-V669 VanDerWaalsContact CZ-CG1 3.46Å; F624-V669 HydrophobicContact CZ-CG2 4.44Å; F624-V671 HydrophobicContact CB-CG2 4.33Å; F624-V671 HydrophobicContact CD2-CG2 3.75Å; F624-V671 HydrophobicContact CE2-CG2 4.22Å; F624-V671 HydrophobicContact CG-CG2 3.99Å; F624-G684 PolarHBondContact N-O 2.85Å; F624-F685 HydrophobicContact CB-CD2 3.99Å; F624-F685 AromaticContact CD1-CD2 3.44Å; F624-F685 HydrophobicContact CD1-CD2 3.44Å; F624-F685 VanDerWaalsContact CD1-CD2 3.44Å; F624-F685 AromaticContact CD1-CE2 3.22Å; F624-F685 HydrophobicContact CD1-CE2 3.22Å; F624-F685 HydrophobicContact CD1-CG 4.25Å; F624-F685 AromaticContact CD1-CZ 3.88Å; F624-F685 HydrophobicContact CD1-CZ 3.88Å; F624-F685 HydrophobicContact CE1-CD2 4.15Å; F624-F685 AromaticContact CE1-CE2 3.44Å; F624-F685 HydrophobicContact CE1-CE2 3.44Å; F624-F685 VanDerWaalsContact CE1-CE2 3.44Å; F624-F685 AromaticContact CE1-CZ 3.81Å; F624-F685 HydrophobicContact CE1-CZ 3.81Å; F624-F685 AromaticContact CG-CD2 3.84Å; F624-F685 HydrophobicContact CG-CD2 3.84Å; F624-F685 AromaticContact CG-CE2 3.91Å; F624-F685 HydrophobicContact CG-CE2 3.91Å; F624-F685 HydrophobicContact CZ-CE2 4.27Å; F624-F685 CarbonylContact O-C 3.59Å; F624-F685 WeakPolarHBondContact O-CA 3.39Å; F624-T686 PolarHBondContact O-N 2.85Å
625T88.9Confident82.2Confident59 Ų5926.4 Ų26.436%0.36217%0.17SC..EExtended strand (participates in β ladder)trans-125.2125.9176.7-55.70000109.8F562 T563 Y564 T686F562-T625 PolarHBondContact O-N 2.95Å; T563-T625 WeakPolarHBondContact CA-O 3.38Å; Y564-T625 PolarHBondContact N-O 3.07Å; T625-T686 WeakPolarHBondContact CA-O 3.41Å
626Y86.3Confident82.6Confident3 Ų326 Ų261%0.01217%0.169CC..EExtended strand (participates in β ladder)trans-118.2118.3168.8180-78.6000108Y564 L606 V628 K664 T686 Y687 G688Y564-Y626 AromaticContact CD1-CD2 3.46Å; Y564-Y626 HydrophobicContact CD1-CD2 3.46Å; Y564-Y626 VanDerWaalsContact CD1-CD2 3.46Å; Y564-Y626 AromaticContact CD1-CE2 3.23Å; Y564-Y626 HydrophobicContact CD1-CE2 3.23Å; Y564-Y626 HydrophobicContact CD1-CG 4.29Å; Y564-Y626 AromaticContact CD1-CZ 3.89Å; Y564-Y626 HydrophobicContact CE1-CD2 4.2Å; Y564-Y626 AromaticContact CE1-CE2 3.49Å; Y564-Y626 HydrophobicContact CE1-CE2 3.49Å; Y564-Y626 VanDerWaalsContact CE1-CE2 3.49Å; Y564-Y626 AromaticContact CE1-CZ 3.86Å; Y564-Y626 AromaticContact CG-CD2 3.91Å; Y564-Y626 HydrophobicContact CG-CD2 3.91Å; Y564-Y626 AromaticContact CG-CE2 3.97Å; Y564-Y626 HydrophobicContact CG-CE2 3.97Å; Y564-Y626 WeakPolarHBondContact O-CA 3.34Å; L606-Y626 HydrophobicContact CD2-CD2 4.39Å; L606-Y626 HydrophobicContact CD2-CE2 3.61Å; Y626-V628 HydrophobicContact CE1-CG2 3.71Å; Y626-V628 VanDerWaalsContact OH-CG2 3.24Å; Y626-V628 WeakPolarHBondContact OH-CG2 3.28Å; Y626-K664 PolarHBondContact OH-NZ 3.43Å; Y626-T686 PolarHBondContact N-O 3.46Å; Y626-Y687 AromaticContact CD1-CD2 3.45Å; Y626-Y687 HydrophobicContact CD1-CD2 3.45Å; Y626-Y687 VanDerWaalsContact CD1-CD2 3.45Å; Y626-Y687 AromaticContact CD1-CE2 3.22Å; Y626-Y687 HydrophobicContact CD1-CE2 3.22Å; Y626-Y687 HydrophobicContact CD1-CG 4.29Å; Y626-Y687 AromaticContact CD1-CZ 3.88Å; Y626-Y687 HydrophobicContact CE1-CD2 4.19Å; Y626-Y687 AromaticContact CE1-CE2 3.47Å; Y626-Y687 HydrophobicContact CE1-CE2 3.47Å; Y626-Y687 VanDerWaalsContact CE1-CE2 3.47Å; Y626-Y687 AromaticContact CE1-CZ 3.85Å; Y626-Y687 AromaticContact CG-CD2 3.9Å; Y626-Y687 HydrophobicContact CG-CD2 3.9Å; Y626-Y687 AromaticContact CG-CE2 3.95Å; Y626-Y687 HydrophobicContact CG-CE2 3.95Å; Y626-G688 PolarHBondContact O-N 3.15Å
627G84.9Confident83Confident22 Ų2222 Ų2223%0.22714%0.144CC..EExtended strand (participates in β ladder)trans-127.3136.8177.500000111.2Y564 G565 V566 G688Y564-G627 PolarHBondContact O-N 3.13Å; G565-G627 WeakPolarHBondContact CA-O 3.42Å; V566-G627 PolarHBondContact N-O 2.85Å; V566-G627 VanDerWaalsContact N-O 3.16Å; G627-G688 WeakPolarHBondContact CA-O 3.38Å
628V84.2Confident83.6Confident1 Ų124.3 Ų24.31%0.00616%0.156CC..EExtended strand (participates in β ladder)trans-130.7127.5161.3177.60000106.5V566 F599 Y626 F660 G688 V689 T690V566-V628 HydrophobicContact CB-CG2 4.4Å; V566-V628 CarbonylContact O-C 3.45Å; V566-V628 VanDerWaalsContact O-CA 3.29Å; V566-V628 WeakPolarHBondContact O-CA 3.11Å; F599-V628 HydrophobicContact CE1-CG1 3.99Å; F599-V628 HydrophobicContact CE2-CG1 4.08Å; F599-V628 HydrophobicContact CZ-CG1 3.42Å; F599-V628 VanDerWaalsContact CZ-CG1 3.42Å; Y626-V628 HydrophobicContact CE1-CG2 3.71Å; Y626-V628 VanDerWaalsContact OH-CG2 3.24Å; Y626-V628 WeakPolarHBondContact OH-CG2 3.28Å; V628-F660 HydrophobicContact CG1-CE2 4.4Å; V628-G688 PolarHBondContact N-O 3.38Å; V628-G688 VanDerWaalsContact N-O 3.13Å; V628-V689 HydrophobicContact CB-CG1 4.49Å; V628-V689 HydrophobicContact CB-CG2 4.35Å; V628-V689 CarbonylContact O-C 3.5Å; V628-V689 VanDerWaalsContact O-CA 3.29Å; V628-V689 WeakPolarHBondContact O-CA 3.48Å; V628-T690 PolarHBondContact O-N 3.48Å
629T86.1Confident83.6Confident47 Ų4722.3 Ų22.329%0.28814%0.142SC..EExtended strand (participates in β ladder)trans-124.7129.1175.8-60.40000107.3V566 T567 D568 T690V566-T629 PolarHBondContact O-N 3.25Å; T567-T629 WeakPolarHBondContact CA-O 3.42Å; D568-T629 PolarHBondContact N-O 2.6Å; T629-T690 WeakPolarHBondContact CA-O 3.32Å
630D84.1Confident83.7Confident0 Ų023.3 Ų23.30%015%0.148CC..EExtended strand (participates in β ladder)trans-115.2139.9164.6-171.217.1000107.5F599 F660 T690 T692F599-D630 HydrophobicContact CB-CB 4.28Å; F599-D630 WeakPolarHBondContact CB-OD2 3.35Å; F599-D630 HydrophobicContact CD2-CB 4.34Å; F599-D630 HydrophobicContact CG-CB 4.31Å; D630-F660 HydrophobicContact CB-CD2 3.47Å; D630-F660 VanDerWaalsContact CB-CD2 3.47Å; D630-F660 HydrophobicContact CB-CE2 3.83Å; D630-F660 VanDerWaalsContact OD2-CD2 3.31Å; D630-F660 WeakPolarHBondContact OD2-CD2 3.44Å; D630-T690 PolarHBondContact N-O 3.28Å; D630-T692 PolarHBondContact O-N 2.81Å; D630-T692 VanDerWaalsContact O-N 3.14Å; D630-T692 PolarHBondContact O-OG1 2.83Å
631T82.5Confident83.4Confident46 Ų4623.5 Ų23.528%0.28215%0.149SC..EExtended strand (participates in β ladder)trans-135.9106.3-179.1-65.50000108.6D568 A570 T692D568-T631 PolarHBondContact O-N 2.72Å; A570-T631 WeakPolarHBondContact CB-O 3.42Å; A570-T631 PolarHBondContact N-O 3.44Å; T631-T692 VanDerWaalsContact CA-OG1 3.25Å; T631-T692 WeakPolarHBondContact CA-OG1 3.48Å; T631-T692 WeakPolarHBondContact CG2-OG1 3.41Å; T631-T692 PolarHBondContact OG1-OG1 3.08Å
632A74.5Confident83.1Confident3 Ų323.8 Ų23.83%0.02515%0.153CC..PPolyproline II helixtrans-66163.2-178.900000113.1D658 T692 P694A632-D658 WeakPolarHBondContact CB-OD2 3.48Å; A632-T692 WeakPolarHBondContact CB-O 3.41Å; A632-T692 PolarHBondContact N-O 3.01Å; A632-P694 HydrophobicContact CB-CB 3.94Å; A632-P694 VanDerWaalsContact CB-CD 3.49Å; A632-P694 HydrophobicContact CB-CG 4.22Å
633P74.2Confident82.3Confident1 Ų123.5 Ų23.51%0.00615%0.152CC..PPolyproline II helixtrans-83.1128.4-171.929.1-32.5000112.8A570 P571 D597 P694A570-P633 HydrophobicContact CB-CB 3.89Å; A570-P633 VanDerWaalsContact CB-CD 3.48Å; A570-P633 HydrophobicContact CB-CG 4.1Å; P571-P633 WeakPolarHBondContact O-CB 3.15Å; D597-P633 HydrophobicContact CB-CG 4.42Å; P633-P694 WeakPolarHBondContact O-CB 3.46Å
634D80Confident81.5Confident65 Ų6524.3 Ų24.335%0.34815%0.153SC..PPolyproline II helixtrans-75132.3170.1-72.6-14.1000110.2D572 V573 D695D572-D634 CarbonylContact C-O 3.5Å; D572-D634 WeakPolarHBondContact CA-O 3.36Å; D572-D634 WeakPolarHBondContact OD1-CB 3.45Å; D572-D634 PolarHBondContact OD1-N 3.09Å; V573-D634 PolarHBondContact N-O 3.05Å; D634-D695 CarbonylContact C-O 3.57Å; D634-D695 WeakPolarHBondContact CA-O 3.43Å; D634-D695 WeakPolarHBondContact OD1-CB 3.39Å; D634-D695 PolarHBondContact OD1-N 2.83Å
635V79.2Confident80.1Confident2 Ų226.8 Ų26.81%0.01217%0.173CC..EExtended strand (participates in β ladder)trans-122.7117.9-175.1-175.60000111.6V573 T593 T595 T656 D695 V696 S697V573-V635 HydrophobicContact CB-CG2 4.33Å; V573-V635 WeakPolarHBondContact O-CA 3.33Å; T593-V635 HydrophobicContact CG2-CG1 3.77Å; T595-V635 HydrophobicContact CG2-CG1 4.43Å; T595-V635 HydrophobicContact CG2-CG2 3.48Å; T595-V635 VanDerWaalsContact CG2-CG2 3.48Å; V635-T656 HydrophobicContact CB-CG2 3.8Å; V635-T656 HydrophobicContact CG1-CG2 3.81Å; V635-T656 HydrophobicContact CG2-CG2 3.55Å; V635-D695 PolarHBondContact N-O 2.64Å; V635-V696 HydrophobicContact CB-CG2 4.34Å; V635-V696 CarbonylContact O-C 3.59Å; V635-V696 WeakPolarHBondContact O-CA 3.5Å; V635-S697 PolarHBondContact O-N 3.44Å
636S83.8Confident78.6Confident32 Ų3224.3 Ų24.322%0.22416%0.158CC..EExtended strand (participates in β ladder)trans-115.8120.6174.166.20000111.3V573 S574 T575 S697V573-S636 PolarHBondContact O-N 2.93Å; S574-S636 CarbonylContact C-O 3.49Å; S574-S636 WeakPolarHBondContact CA-O 3.29Å; S574-S636 WeakPolarHBondContact CA-OG 3.39Å; S574-S636 WeakPolarHBondContact CB-OG 2.99Å; T575-S636 PolarHBondContact N-O 2.92Å; S636-S697 WeakPolarHBondContact CA-O 3.22Å; S636-S697 WeakPolarHBondContact CB-OG 3.17Å
637T82.3Confident77.4Confident2 Ų226.9 Ų26.91%0.01217%0.174CC..EExtended strand (participates in β ladder)trans-119.4109.4173.5-600000109.6T575 T591 T593 T653 S697 N699T575-T637 WeakPolarHBondContact O-CA 3.29Å; T591-T637 HydrophobicContact CG2-CG2 3.89Å; T593-T637 WeakPolarHBondContact CB-OG1 3.5Å; T593-T637 PolarHBondContact OG1-OG1 3.44Å; T637-T653 HydrophobicContact CG2-CG2 3.83Å; T637-S697 PolarHBondContact N-O 2.87Å; T637-N699 PolarHBondContact O-N 2.8Å
638N82.9Confident76.4Confident49 Ų4928.6 Ų28.626%0.26218%0.178SC..EExtended strand (participates in β ladder)trans-115.7122.1-178.4-55.5-57.8000110.9T575 N576 S577 N699T575-N638 PolarHBondContact O-N 2.77Å; N576-N638 CarbonylContact C-O 3.58Å; N576-N638 WeakPolarHBondContact CA-O 3.32Å; N576-N638 WeakPolarHBondContact OD1-CB 3.47Å; N576-N638 PolarHBondContact OD1-ND2 2.93Å; S577-N638 PolarHBondContact N-O 2.9Å; N638-N699 WeakPolarHBondContact CA-O 3.37Å; N638-N699 WeakPolarHBondContact OD1-CB 3.49Å; N638-N699 PolarHBondContact OD1-ND2 2.8Å
639S80.7Confident75.5Confident5 Ų528.6 Ų28.64%0.03518%0.178CC..EExtended strand (participates in β ladder)trans-123.7123.6178.5-69.30000111.3S577 N699 S700 T701S577-S639 WeakPolarHBondContact O-CA 3.47Å; S639-N699 PolarHBondContact N-O 2.82Å; S639-S700 CarbonylContact O-C 3.57Å; S639-S700 WeakPolarHBondContact O-CA 3.45Å; S639-T701 PolarHBondContact O-N 2.89Å
640T84.4Confident74.6Confident62 Ų6228.8 Ų28.838%0.3818%0.179SC..EExtended strand (participates in β ladder)trans-115.3110.2170.8-58.90000109.1S577 T578 I579 T701S577-T640 PolarHBondContact O-N 2.91Å; T578-T640 WeakPolarHBondContact CA-O 3.4Å; I579-T640 PolarHBondContact N-O 2.93Å; T640-T701 WeakPolarHBondContact CA-O 3.34Å
641I81.6Confident73.1Confident4 Ų429.2 Ų29.22%0.02118%0.182CC..EExtended strand (participates in β ladder)trans-119.4123.2-175-56.4174000109.9I579 F587 T589 F649 T651 T701 I702 T703I579-I641 HydrophobicContact CB-CG1 4.46Å; I579-I641 WeakPolarHBondContact O-CA 3.31Å; F587-I641 HydrophobicContact CE1-CG2 3.83Å; F587-I641 HydrophobicContact CZ-CG2 3.58Å; T589-I641 HydrophobicContact CG2-CD1 4.09Å; I641-F649 HydrophobicContact CG2-CE2 3.9Å; I641-F649 HydrophobicContact CG2-CZ 3.92Å; I641-T651 HydrophobicContact CD1-CG2 3.6Å; I641-T701 PolarHBondContact N-O 2.88Å; I641-I702 HydrophobicContact CB-CG1 4.44Å; I641-I702 WeakPolarHBondContact O-CA 3.4Å; I641-T703 PolarHBondContact O-N 3.15Å
642T81.3Confident72.1Confident56 Ų5629.1 Ų29.134%0.34418%0.182SC..EExtended strand (participates in β ladder)trans-120114.9172.1-57.80000110.1I579 T580 A581 T703I579-T642 PolarHBondContact O-N 2.89Å; T580-T642 WeakPolarHBondContact CA-O 3.33Å; A581-T642 PolarHBondContact N-O 2.96Å; T642-T703 WeakPolarHBondContact CA-O 3.32Å
643A73Confident71.2Confident1 Ų129.4 Ų29.41%0.00818%0.183CC..EExtended strand (participates in β ladder)trans-123.2127.3178.200000111.2A581 F587 T646 F649 T703 A704 S705A581-A643 WeakPolarHBondContact O-CA 3.05Å; F587-A643 HydrophobicContact CD2-CB 4.4Å; F587-A643 HydrophobicContact CE2-CB 4.48Å; A643-T646 HydrophobicContact CB-CG2 4.22Å; A643-F649 HydrophobicContact CB-CD2 4.17Å; A643-F649 HydrophobicContact CB-CE2 4.02Å; A643-T703 PolarHBondContact N-O 3.38Å; A643-A704 WeakPolarHBondContact O-CA 3.15Å; A643-S705 PolarHBondContact O-N 3.08Å
644S67.3Low70.5Confident49 Ų4931.4 Ų31.434%0.34320%0.195SC..EExtended strand (participates in β ladder)trans-119.5125.1179410000111.1A581 A583A581-S644 PolarHBondContact O-N 2.97Å; A581-S644 PolarHBondContact O-OG 2.86Å; A583-S644 PolarHBondContact N-O 2.92Å
645A59.1Low69.5Low54 Ų5429 Ų2945%0.44618%0.182SC..EExtended strand (participates in β ladder)trans59.185.7-175.100000113.6T584 S705T584-A645 PolarHBondContact N-O 3.04Å; A645-S705 WeakPolarHBondContact CA-O 3.49Å; A645-S705 PolarHBondContact N-O 3.29Å
646T58.9Low68.5Low6 Ų629 Ų294%0.03718%0.182CC..EExtended strand (participates in β ladder)trans-126.3149.4-178.1320000110.9T584 F587 A643 A706 T707T584-T646 VanDerWaalsContact O-CA 3.23Å; T584-T646 WeakPolarHBondContact O-CA 3.38Å; T584-T646 WeakPolarHBondContact OG1-CG2 3.46Å; F587-T646 HydrophobicContact CB-CG2 3.79Å; A643-T646 HydrophobicContact CB-CG2 4.22Å; T646-A706 PolarHBondContact N-O 3.39Å; T646-T707 WeakPolarHBondContact O-CA 3.27Å; T646-T707 VanDerWaalsContact OG1-CG2 3.32Å; T646-T707 WeakPolarHBondContact OG1-CG2 3.5Å; T646-T707 PolarHBondContact OG1-OG1 2.94Å
647T59.5Low67.1Low58 Ų5830.6 Ų30.636%0.35619%0.191SC..EExtended strand (participates in β ladder)trans-96.1-38.8170.157.60000112.1T585 T708 N709T585-T647 WeakPolarHBondContact O-CA 3.39Å; T585-T647 WeakPolarHBondContact O-CB 3.32Å; T585-T647 PolarHBondContact O-N 2.91Å; T585-T647 PolarHBondContact O-OG1 3.38Å; T647-T708 WeakPolarHBondContact CA-OG1 3.21Å; T647-T708 WeakPolarHBondContact CB-OG1 3.14Å; T647-T708 PolarHBondContact O-N 3.07Å; T647-T708 PolarHBondContact O-OG1 3.47Å; T647-N709 PolarHBondContact O-N 3.19Å
648N64.7Low65.9Low57 Ų5730.9 Ų30.931%0.30519%0.193SC..EExtended strand (participates in β ladder)trans-131.1128.6177-56.5-55.2000110.1T585 N586 F587 N709T585-N648 PolarHBondContact O-N 3.43Å; N586-N648 PolarHBondContact OD1-ND2 2.88Å; F587-N648 PolarHBondContact N-O 3.28Å; N648-N709 WeakPolarHBondContact CA-O 3.36Å; N648-N709 PolarHBondContact OD1-ND2 3.03Å
649F66.1Low64.8Low1 Ų129.7 Ų29.70%0.00419%0.192CC..EExtended strand (participates in β ladder)trans-121.4124.4178.1-176.8-84.4000110.1F587 I641 A643 T651 I702 T707 N709 F710 T711 T712F587-F649 HydrophobicContact CB-CD2 4.32Å; F587-F649 AromaticContact CD1-CD2 3.38Å; F587-F649 HydrophobicContact CD1-CD2 3.38Å; F587-F649 AromaticContact CD1-CE2 3.37Å; F587-F649 HydrophobicContact CD1-CE2 3.37Å; F587-F649 HydrophobicContact CD1-CG 4.23Å; F587-F649 HydrophobicContact CD1-CZ 4.21Å; F587-F649 AromaticContact CE1-CD2 3.92Å; F587-F649 HydrophobicContact CE1-CD2 3.92Å; F587-F649 AromaticContact CE1-CE2 3.37Å; F587-F649 HydrophobicContact CE1-CE2 3.37Å; F587-F649 AromaticContact CE1-CZ 3.97Å; F587-F649 HydrophobicContact CE1-CZ 3.97Å; F587-F649 HydrophobicContact CG-CD2 4.01Å; F587-F649 HydrophobicContact CG-CE2 4.24Å; F587-F649 HydrophobicContact CZ-CE2 4.24Å; F587-F649 WeakPolarHBondContact O-CA 3.38Å; I641-F649 HydrophobicContact CG2-CE2 3.9Å; I641-F649 HydrophobicContact CG2-CZ 3.92Å; A643-F649 HydrophobicContact CB-CD2 4.17Å; A643-F649 HydrophobicContact CB-CE2 4.02Å; F649-T651 HydrophobicContact CD1-CG2 4.38Å; F649-T651 HydrophobicContact CE1-CG2 3.42Å; F649-T651 VanDerWaalsContact CE1-CG2 3.42Å; F649-T651 HydrophobicContact CZ-CG2 3.54Å; F649-I702 HydrophobicContact CE1-CD1 4.32Å; F649-I702 HydrophobicContact CE1-CG2 3.73Å; F649-I702 HydrophobicContact CE2-CG2 4.26Å; F649-I702 HydrophobicContact CZ-CG2 3.41Å; F649-I702 VanDerWaalsContact CZ-CG2 3.41Å; F649-T707 HydrophobicContact CB-CG2 4.04Å; F649-N709 PolarHBondContact N-O 2.93Å; F649-F710 HydrophobicContact CB-CD2 3.95Å; F649-F710 HydrophobicContact CB-CE2 4.45Å; F649-F710 AromaticContact CD1-CD2 3.63Å; F649-F710 HydrophobicContact CD1-CD2 3.63Å; F649-F710 AromaticContact CD1-CE2 3.34Å; F649-F710 HydrophobicContact CD1-CE2 3.34Å; F649-F710 HydrophobicContact CD1-CG 4.4Å; F649-F710 AromaticContact CD1-CZ 3.93Å; F649-F710 HydrophobicContact CD1-CZ 3.93Å; F649-F710 HydrophobicContact CE1-CD2 4.35Å; F649-F710 AromaticContact CE1-CE2 3.6Å; F649-F710 HydrophobicContact CE1-CE2 3.6Å; F649-F710 AromaticContact CE1-CZ 3.9Å; F649-F710 HydrophobicContact CE1-CZ 3.9Å; F649-F710 AromaticContact CG-CD2 3.87Å; F649-F710 HydrophobicContact CG-CD2 3.87Å; F649-F710 AromaticContact CG-CE2 3.87Å; F649-F710 HydrophobicContact CG-CE2 3.87Å; F649-F710 HydrophobicContact CZ-CE2 4.3Å; F649-T711 WeakPolarHBondContact O-CA 3.5Å; F649-T711 PolarHBondContact O-N 2.93Å; F649-T712 HydrophobicContact CD1-CG2 4.3Å; F649-T712 HydrophobicContact CE1-CG2 3.99Å
650T66.2Low64.1Low52 Ų5229.4 Ų29.432%0.31919%0.19SC..EExtended strand (participates in β ladder)trans-133.7129.8177.5-53.10000111.2F587 T588 T589 T711F587-T650 PolarHBondContact O-N 2.96Å; T588-T650 WeakPolarHBondContact CA-O 3.47Å; T589-T650 PolarHBondContact N-O 3.13Å; T650-T711 VanDerWaalsContact CA-O 3.29Å; T650-T711 WeakPolarHBondContact CA-O 3.06Å
651T53.7Low63.2Low8 Ų829.2 Ų29.25%0.04919%0.187CC..EExtended strand (participates in β ladder)trans-130.7139.3173.450.50000110.9T589 I641 F649 I702 T711 T712 T713T589-T651 VanDerWaalsContact O-CA 3.32Å; T589-T651 WeakPolarHBondContact O-CA 3.28Å; I641-T651 HydrophobicContact CD1-CG2 3.6Å; F649-T651 HydrophobicContact CD1-CG2 4.38Å; F649-T651 HydrophobicContact CE1-CG2 3.42Å; F649-T651 VanDerWaalsContact CE1-CG2 3.42Å; F649-T651 HydrophobicContact CZ-CG2 3.54Å; T651-I702 HydrophobicContact CG2-CD1 4.36Å; T651-T711 PolarHBondContact N-O 3.49Å; T651-T712 WeakPolarHBondContact OG1-CB 3.05Å; T651-T712 VanDerWaalsContact OG1-CG2 3.3Å; T651-T712 WeakPolarHBondContact OG1-CG2 3.39Å; T651-T713 PolarHBondContact O-N 3.06Å
652T60.1Low62.6Low45 Ų4529 Ų2928%0.27619%0.186SC..EExtended strand (participates in β ladder)trans-133128.8175.7-53.10000110.6T589 T591 T713T589-T652 PolarHBondContact O-N 3.15Å; T591-T652 PolarHBondContact N-O 3.29Å; T652-T713 VanDerWaalsContact CA-O 3.23Å; T652-T713 WeakPolarHBondContact CA-O 3.46Å
653T56.5Low61.7Low8 Ų828.2 Ų28.25%0.04918%0.183CC..EExtended strand (participates in β ladder)trans-124.5136.5171.4-45.20000110.4T591 T637 T698 T713 T715T591-T653 VanDerWaalsContact O-CA 3.26Å; T591-T653 WeakPolarHBondContact O-CA 3.26Å; T637-T653 HydrophobicContact CG2-CG2 3.83Å; T653-T698 HydrophobicContact CG2-CG2 3.83Å; T653-T713 PolarHBondContact N-O 3.3Å; T653-T715 CarbonylContact C-O 3.56Å; T653-T715 CarbonylContact O-C 3.6Å; T653-T715 WeakPolarHBondContact O-CA 3.35Å; T653-T715 PolarHBondContact O-N 2.81Å
654T58.7Low61Low43 Ų4328.3 Ų28.326%0.26418%0.183SC..EExtended strand (participates in β ladder)trans-144.5138.4-179.240.80000110.8T592 T593 T715T592-T654 WeakPolarHBondContact CG2-OG1 3.47Å; T592-T654 PolarHBondContact OG1-OG1 2.9Å; T593-T654 PolarHBondContact N-O 3.49Å; T654-T715 WeakPolarHBondContact CA-O 2.95Å; T654-T715 HydrophobicContact CG2-CG2 4.37Å
655T58.9Low60.3Low14 Ų1428 Ų289%0.08618%0.181CC..  trans158.4171.5145.847.50000116.2T592 T593 T594 T717T592-T655 HydrophobicContact CG2-CG2 4.37Å; T593-T655 VanDerWaalsContact C-CB 3.48Å; T593-T655 VanDerWaalsContact C-OG1 3.25Å; T593-T655 WeakPolarHBondContact O-CB 3.48Å; T593-T655 WeakPolarHBondContact O-CG2 3.38Å; T593-T655 PolarHBondContact O-OG1 3.49Å; T594-T655 HydrophobicContact CG2-CG2 3.27Å; T594-T655 VanDerWaalsContact N-CG2 3.26Å; T655-T717 CarbonylContact C-O 3.57Å; T655-T717 PolarHBondContact O-N 2.9Å
656T58Low60.6Low2 Ų226.4 Ų26.41%0.01217%0.166CC..  cis-141.3-178.829.455.50000114.1T595 V635 V696 T717T595-T656 HydrophobicContact CG2-CG2 4.32Å; T595-T656 VanDerWaalsContact OG1-CB 3.29Å; T595-T656 WeakPolarHBondContact OG1-CB 3.35Å; T595-T656 WeakPolarHBondContact OG1-CG2 3.41Å; V635-T656 HydrophobicContact CB-CG2 3.8Å; V635-T656 HydrophobicContact CG1-CG2 3.81Å; V635-T656 HydrophobicContact CG2-CG2 3.55Å; T656-V696 HydrophobicContact CG2-CG2 4.41Å; T656-T717 CarbonylContact C-O 3.53Å; T656-T717 PolarHBondContact N-O 3.41Å
657T55.8Low61.3Low67 Ų6726.2 Ų26.241%0.41117%0.165SC..BIsolated β-bridgetrans-149.5127.6174.6-42.20000110.2T595 T596 T719T595-T657 PolarHBondContact O-N 3.47Å; T595-T657 VanDerWaalsContact O-N 3.13Å; T596-T657 VanDerWaalsContact CA-O 3.29Å; T596-T657 WeakPolarHBondContact CA-O 3.29Å; T657-T719 HydrophobicContact CG2-CG2 4.39Å
658D57.4Low62.3Low7 Ų725.8 Ų25.84%0.03716%0.161CC..  trans-127.8157.7178.8179.829.3000110A632 P694 T719A632-D658 WeakPolarHBondContact CB-OD2 3.48Å; D658-P694 HydrophobicContact CB-CG 4.29Å; D658-T719 PolarHBondContact N-O 2.93Å; D658-T719 VanDerWaalsContact O-O 3.06Å
659G59.2Low63.1Low24 Ų2423.3 Ų23.325%0.24715%0.147CC..  trans-167.7109.9176.100000115.5D597D597-G659 PolarHBondContact O-N 2.82Å
660F66.9Low63.9Low0 Ų025.5 Ų25.50%017%0.166CC..  trans-74.8125.3169.5177.8-87.4000113.4F599 V628 D630 Q662 V689 D691 G721 F722 N723F599-F660 HydrophobicContact CB-CD2 4.04Å; F599-F660 AromaticContact CD1-CD2 3.62Å; F599-F660 HydrophobicContact CD1-CD2 3.62Å; F599-F660 AromaticContact CD1-CE2 3.45Å; F599-F660 HydrophobicContact CD1-CE2 3.45Å; F599-F660 VanDerWaalsContact CD1-CE2 3.45Å; F599-F660 HydrophobicContact CD1-CG 4.38Å; F599-F660 HydrophobicContact CD1-CZ 4.09Å; F599-F660 HydrophobicContact CE1-CD2 4.33Å; F599-F660 AromaticContact CE1-CE2 3.69Å; F599-F660 HydrophobicContact CE1-CE2 3.69Å; F599-F660 HydrophobicContact CE1-CZ 4.07Å; F599-F660 AromaticContact CG-CD2 3.96Å; F599-F660 HydrophobicContact CG-CD2 3.96Å; F599-F660 HydrophobicContact CG-CE2 4.06Å; F599-F660 HydrophobicContact CZ-CE2 4.45Å; V628-F660 HydrophobicContact CG1-CE2 4.4Å; D630-F660 HydrophobicContact CB-CD2 3.47Å; D630-F660 VanDerWaalsContact CB-CD2 3.47Å; D630-F660 HydrophobicContact CB-CE2 3.83Å; D630-F660 VanDerWaalsContact OD2-CD2 3.31Å; D630-F660 WeakPolarHBondContact OD2-CD2 3.44Å; F660-Q662 HydrophobicContact CE1-CB 3.61Å; F660-Q662 HydrophobicContact CZ-CB 3.77Å; F660-V689 HydrophobicContact CE1-CG1 4.32Å; F660-V689 HydrophobicContact CE2-CG1 4.35Å; F660-V689 HydrophobicContact CZ-CG1 3.65Å; F660-D691 WeakPolarHBondContact CB-OD2 3.44Å; F660-D691 HydrophobicContact CD2-CB 4.31Å; F660-D691 HydrophobicContact CG-CB 4.35Å; F660-D691 WeakPolarHBondContact CG-OD2 3.35Å; F660-G721 PolarHBondContact N-O 3.04Å; F660-F722 HydrophobicContact CB-CD2 4.48Å; F660-F722 AromaticContact CD1-CD2 3.39Å; F660-F722 HydrophobicContact CD1-CD2 3.39Å; F660-F722 AromaticContact CD1-CE2 3.57Å; F660-F722 HydrophobicContact CD1-CE2 3.57Å; F660-F722 HydrophobicContact CD1-CG 4.1Å; F660-F722 HydrophobicContact CD1-CZ 4.39Å; F660-F722 AromaticContact CE1-CD2 3.71Å; F660-F722 HydrophobicContact CE1-CD2 3.71Å; F660-F722 AromaticContact CE1-CE2 3.34Å; F660-F722 HydrophobicContact CE1-CE2 3.34Å; F660-F722 AromaticContact CE1-CZ 3.95Å; F660-F722 HydrophobicContact CE1-CZ 3.95Å; F660-F722 AromaticContact CG-CD2 4Å; F660-F722 HydrophobicContact CG-CD2 4Å; F660-F722 HydrophobicContact CG-CE2 4.37Å; F660-F722 AromaticContact CZ-CE2 3.97Å; F660-F722 HydrophobicContact CZ-CE2 3.97Å; F660-N723 PolarHBondContact O-N 3.07Å
661N65.1Low64.8Low57 Ų5723.1 Ų23.131%0.30515%0.151SC..EExtended strand (participates in β ladder)trans-133.2101.4175-161.2-33000113.9F599 N600 Q601 N723F599-N661 CarbonylContact O-C 3.08Å; F599-N661 VanDerWaalsContact O-CA 3.29Å; F599-N661 WeakPolarHBondContact O-CA 3.48Å; F599-N661 PolarHBondContact O-N 3.25Å; F599-N661 VanDerWaalsContact O-O 3.09Å; N600-N661 WeakPolarHBondContact CA-O 3.13Å; Q601-N661 PolarHBondContact N-O 2.72Å; Q601-N661 VanDerWaalsContact N-O 3.07Å; N661-N723 WeakPolarHBondContact CA-O 3.14Å
662Q69.3Low66.4Low0 Ų025 Ų250%016%0.164CC..EExtended strand (participates in β ladder)trans-102.895.7168.9-173.2178.5107.200111.6F660 K664 N723 S725F660-Q662 HydrophobicContact CE1-CB 3.61Å; F660-Q662 HydrophobicContact CZ-CB 3.77Å; Q662-K664 HydrophobicContact CG-CD 4.33Å; Q662-K664 HydrophobicContact CG-CG 4.3Å; Q662-N723 PolarHBondContact N-O 3.49Å; Q662-S725 PolarHBondContact O-N 3.44Å; Q662-S725 VanDerWaalsContact O-N 3.11Å
663S61.4Low67.5Low40 Ų4023 Ų2328%0.2815%0.153SC..EExtended strand (participates in β ladder)trans-102.7106.8175.161.20000112.4Q601 S602 K603 S725Q601-S663 PolarHBondContact O-N 3.36Å; Q601-S663 VanDerWaalsContact O-O 3.12Å; S602-S663 VanDerWaalsContact CA-O 3.31Å; S602-S663 WeakPolarHBondContact CA-O 3.46Å; K603-S663 PolarHBondContact N-O 3.03Å; S663-S725 WeakPolarHBondContact CA-O 3.07Å
664K58.2Low68.8Low3 Ų324.4 Ų24.41%0.01316%0.163CC..EExtended strand (participates in β ladder)trans-119.2129.8178.3-64.2178.2179.3148.90112.2K603 Y626 Q662 S666 S725 K726 S727K603-K664 HydrophobicContact CB-CG 4.3Å; Y626-K664 PolarHBondContact OH-NZ 3.43Å; Q662-K664 HydrophobicContact CG-CD 4.33Å; Q662-K664 HydrophobicContact CG-CG 4.3Å; K664-S666 PolarHBondContact O-N 2.86Å; K664-S725 PolarHBondContact N-O 3.12Å; K664-K726 HydrophobicContact CB-CG 4.31Å; K664-K726 WeakPolarHBondContact O-CA 2.83Å; K664-S727 PolarHBondContact O-N 2.73Å; K664-S727 PolarHBondContact O-OG 3.12Å
665S51.7Low69.9Low42 Ų4222.4 Ų22.429%0.29415%0.15SC..SBendtrans-60.7-38169.958.40000114.2K603 S604 S605 S727K603-S665 PolarHBondContact O-N 2.89Å; K603-S665 PolarHBondContact O-OG 2.8Å; S604-S665 WeakPolarHBondContact CA-OG 2.94Å; S604-S665 PolarHBondContact O-OG 3.06Å; S605-S665 PolarHBondContact N-OG 2.82Å; S665-S727 WeakPolarHBondContact CA-OG 3.19Å; S665-S727 WeakPolarHBondContact O-CB 3.4Å; S665-S727 PolarHBondContact O-OG 2.92Å
666S67.1Low70.7Confident21 Ų2123.6 Ų23.615%0.14716%0.158CC..  trans-170.9137.8176.352.70000111.5S605 L606 K664 S728S605-S666 WeakPolarHBondContact CB-OG 3.33Å; L606-S666 PolarHBondContact N-O 3.23Å; K664-S666 PolarHBondContact O-N 2.86Å; S666-S728 WeakPolarHBondContact CA-O 3.5Å; S666-S728 WeakPolarHBondContact CB-OG 3.03Å
667L73.7Confident71.4Confident1 Ų127.7 Ų27.71%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-116109.4166.4171.454.5000108.1L606 V669 Y687 S728 L729 N730L606-L667 HydrophobicContact CB-CD1 3.83Å; L606-L667 HydrophobicContact CD2-CD1 3.54Å; L606-L667 HydrophobicContact CG-CD1 3.49Å; L606-L667 VanDerWaalsContact CG-CD1 3.49Å; L667-V669 HydrophobicContact CD1-CG2 3.46Å; L667-V669 VanDerWaalsContact CD1-CG2 3.46Å; L667-V669 HydrophobicContact CD2-CG2 4.46Å; L667-V669 HydrophobicContact CG-CG2 3.87Å; L667-Y687 HydrophobicContact CD2-CD2 4.33Å; L667-Y687 HydrophobicContact CD2-CE2 3.57Å; L667-S728 PolarHBondContact N-O 3.12Å; L667-L729 HydrophobicContact CB-CD1 3.81Å; L667-L729 HydrophobicContact CD2-CD1 3.56Å; L667-L729 HydrophobicContact CG-CD1 3.55Å; L667-N730 PolarHBondContact O-N 2.94Å
668N79.4Confident71.9Confident50 Ų5024.6 Ų24.627%0.26716%0.164SC..EExtended strand (participates in β ladder)trans-111.2111.2177.1-59-52.1000109.1L606 N607 V608 N730L606-N668 PolarHBondContact O-N 2.84Å; N607-N668 WeakPolarHBondContact CA-O 2.91Å; N607-N668 WeakPolarHBondContact OD1-CB 3.45Å; N607-N668 PolarHBondContact OD1-ND2 3.01Å; V608-N668 PolarHBondContact N-O 3.13Å; N668-N730 CarbonylContact C-O 3.59Å; N668-N730 WeakPolarHBondContact CA-O 3.24Å; N668-N730 WeakPolarHBondContact OD1-CB 3.48Å; N668-N730 PolarHBondContact OD1-ND2 2.84Å
669V81.5Confident72.9Confident4 Ų426.5 Ų26.52%0.02418%0.179CC..EExtended strand (participates in β ladder)trans-118.4118.4179-173.30000108.8V608 F624 L667 V671 F685 N730 V731 A732V608-V669 HydrophobicContact CB-CG1 4.44Å; V608-V669 WeakPolarHBondContact O-CA 3.38Å; F624-V669 HydrophobicContact CE1-CG1 3.91Å; F624-V669 HydrophobicContact CE2-CG1 3.84Å; F624-V669 HydrophobicContact CZ-CG1 3.46Å; F624-V669 VanDerWaalsContact CZ-CG1 3.46Å; F624-V669 HydrophobicContact CZ-CG2 4.44Å; L667-V669 HydrophobicContact CD1-CG2 3.46Å; L667-V669 VanDerWaalsContact CD1-CG2 3.46Å; L667-V669 HydrophobicContact CD2-CG2 4.46Å; L667-V669 HydrophobicContact CG-CG2 3.87Å; V669-V671 HydrophobicContact CG1-CG2 3.9Å; V669-F685 HydrophobicContact CB-CE2 4.5Å; V669-F685 HydrophobicContact CG1-CE2 3.69Å; V669-F685 HydrophobicContact CG1-CZ 4.17Å; V669-N730 PolarHBondContact N-O 2.8Å; V669-V731 HydrophobicContact CB-CG1 4.46Å; V669-V731 HydrophobicContact CB-CG2 4.48Å; V669-V731 CarbonylContact O-C 3.59Å; V669-V731 WeakPolarHBondContact O-CA 3.4Å; V669-A732 PolarHBondContact O-N 3.08Å
670A82.5Confident73.9Confident48 Ų4827.4 Ų27.440%0.39718%0.179SC..EExtended strand (participates in β ladder)trans-117110.3175.600000108.9V608 A609 V610 A732V608-A670 PolarHBondContact O-N 3.39Å; A609-A670 CarbonylContact C-O 3.56Å; A609-A670 WeakPolarHBondContact CA-O 3.42Å; V610-A670 PolarHBondContact N-O 2.96Å; A670-A732 CarbonylContact C-O 3.6Å; A670-A732 WeakPolarHBondContact CA-O 3.37Å
671V86Confident74.8Confident2 Ų227.4 Ų27.41%0.01218%0.179CC..EExtended strand (participates in β ladder)trans-113.5122.3176.3-173.70000108.3V610 F624 V669 F685 A732 V733 S734V610-V671 WeakPolarHBondContact O-CA 3.42Å; F624-V671 HydrophobicContact CB-CG2 4.33Å; F624-V671 HydrophobicContact CD2-CG2 3.75Å; F624-V671 HydrophobicContact CE2-CG2 4.22Å; F624-V671 HydrophobicContact CG-CG2 3.99Å; V669-V671 HydrophobicContact CG1-CG2 3.9Å; V671-F685 HydrophobicContact CG2-CD2 3.94Å; V671-F685 HydrophobicContact CG2-CE2 3.98Å; V671-A732 PolarHBondContact N-O 3.27Å; V671-V733 WeakPolarHBondContact O-CA 3.31Å; V671-S734 PolarHBondContact O-N 3.46Å; V671-S734 PolarHBondContact O-OG 2.98Å
672S86.6Confident75.8Confident46 Ų4627 Ų2732%0.32218%0.177SC..EExtended strand (participates in β ladder)trans-129.3134.5179.2600000110.9V610 S611 A612 Q622 S734V610-S672 PolarHBondContact O-N 3.29Å; V610-S672 PolarHBondContact O-OG 2.84Å; S611-S672 WeakPolarHBondContact CA-O 3.4Å; S611-S672 WeakPolarHBondContact CB-OG 3.37Å; A612-S672 PolarHBondContact N-O 2.89Å; Q622-S672 PolarHBondContact NE2-O 2.84Å; Q622-S672 VanDerWaalsContact NE2-O 3.15Å; S672-S734 WeakPolarHBondContact CA-O 3.44Å; S672-S734 WeakPolarHBondContact CB-OG 3.35Å
673A84.8Confident76.5Confident4 Ų427.3 Ų27.33%0.03318%0.178CC..EExtended strand (participates in β ladder)trans-138.4138175.600000110.9A612 F620 Q622 F681 S734 A735 S736A612-A673 WeakPolarHBondContact O-CA 3.48Å; F620-A673 HydrophobicContact CE1-CB 3.38Å; F620-A673 HydrophobicContact CZ-CB 3.39Å; Q622-A673 VanDerWaalsContact OE1-CB 3.3Å; A673-F681 HydrophobicContact CB-CE2 3.8Å; A673-F681 HydrophobicContact CB-CZ 3.51Å; A673-S734 PolarHBondContact N-O 3Å; A673-A735 WeakPolarHBondContact O-CA 3.44Å; A673-S736 PolarHBondContact O-N 2.72Å; A673-S736 VanDerWaalsContact O-N 3.1Å
674S82.4Confident77.4Confident38 Ų3826.9 Ų26.927%0.26618%0.18SC..EExtended strand (participates in β ladder)trans-138.3120.9-179.7-172.90000110.6A612 S613 N614 P676A612-S674 PolarHBondContact O-N 3.01Å; A612-S674 VanDerWaalsContact O-N 3.09Å; S613-S674 WeakPolarHBondContact CA-O 3.49Å; N614-S674 PolarHBondContact N-O 2.91Å; S674-P676 VanDerWaalsContact C-CD 3.49Å; S674-P676 VanDerWaalsContact OG-CD 3.26Å; S674-P676 WeakPolarHBondContact OG-CD 3.23Å
675N81.9Confident78.8Confident0 Ų026.8 Ų26.80%018%0.18CC..  trans-132.176170.4-173.7-3.7000110.7N614 G617 F620 V677 G678 F681 S736 N737N614-N675 WeakPolarHBondContact O-CA 3.47Å; N614-N675 VanDerWaalsContact O-CG 3.23Å; N614-N675 PolarHBondContact O-OD1 2.98Å; G617-N675 PolarHBondContact O-ND2 3.17Å; G617-N675 PolarHBondContact O-OD1 2.74Å; F620-N675 HydrophobicContact CB-CB 4.12Å; F620-N675 WeakPolarHBondContact CB-ND2 3.49Å; F620-N675 HydrophobicContact CD2-CB 4.36Å; F620-N675 HydrophobicContact CG-CB 4.26Å; N675-V677 VanDerWaalsContact C-N 3.27Å; N675-V677 PolarHBondContact O-N 2.93Å; N675-V677 VanDerWaalsContact O-N 3.14Å; N675-G678 WeakPolarHBondContact ND2-CA 3.49Å; N675-G678 WeakPolarHBondContact OD1-CA 3.18Å; N675-G678 PolarHBondContact OD1-N 2.84Å; N675-F681 HydrophobicContact CB-CD2 3.66Å; N675-F681 HydrophobicContact CB-CE2 4.19Å; N675-S736 PolarHBondContact N-O 2.85Å; N675-N737 WeakPolarHBondContact O-CA 3.36Å; N675-N737 VanDerWaalsContact O-CG 3.28Å; N675-N737 PolarHBondContact O-OD1 2.96Å
676P75.4Confident80.4Confident39 Ų3927.7 Ų27.725%0.25318%0.184SC..THydrogen-bonded Turntrans-56-31.7-170-14.7-1.2000117.4P615 S674 P738 V739P615-P676 HydrophobicContact CB-CG 4.2Å; S674-P676 VanDerWaalsContact C-CD 3.49Å; S674-P676 VanDerWaalsContact OG-CD 3.26Å; S674-P676 WeakPolarHBondContact OG-CD 3.23Å; P676-P738 WeakPolarHBondContact O-CD 3.36Å; P676-V739 WeakPolarHBondContact O-CB 3.37Å; P676-V739 VanDerWaalsContact O-CG2 3.28Å; P676-V739 WeakPolarHBondContact O-CG2 3.41Å; P676-V739 PolarHBondContact O-N 2.77Å
677V72.2Confident81.1Confident89 Ų8926.8 Ų26.854%0.53918%0.177SC..THydrogen-bonded Turntrans-121.95.1-170.2-161.20000112.6P615 N675P615-V677 WeakPolarHBondContact O-CB 3.33Å; P615-V677 VanDerWaalsContact O-CG2 3.26Å; P615-V677 WeakPolarHBondContact O-CG2 3.45Å; P615-V677 PolarHBondContact O-N 3.06Å; N675-V677 VanDerWaalsContact C-N 3.27Å; N675-V677 PolarHBondContact O-N 2.93Å; N675-V677 VanDerWaalsContact O-N 3.14Å
678G68.2Low81.5Confident1 Ų127.8 Ų27.81%0.0119%0.188CC..  trans-86.6142.9-170.400000116.3G617 N675 N737 G740G617-G678 WeakPolarHBondContact O-CA 3.39Å; N675-G678 WeakPolarHBondContact ND2-CA 3.49Å; N675-G678 WeakPolarHBondContact OD1-CA 3.18Å; N675-G678 PolarHBondContact OD1-N 2.84Å; G678-N737 PolarHBondContact O-ND2 2.9Å; G678-N737 PolarHBondContact O-OD1 3.35Å; G678-G740 WeakPolarHBondContact O-CA 3.38Å
679S78.2Confident81.6Confident48 Ų4825.4 Ų25.434%0.33618%0.175SC..SBendtrans-63.4-42.1-178.837.30000114.1S618 S741 T742S618-S679 WeakPolarHBondContact CA-OG 3.2Å; S618-S679 PolarHBondContact O-N 3.27Å; S618-S679 PolarHBondContact O-OG 2.8Å; S679-S741 PolarHBondContact O-N 3.1Å; S679-S741 PolarHBondContact O-OG 3.27Å; S679-T742 PolarHBondContact O-N 3.29Å
680T80.1Confident81.8Confident42 Ų4227.4 Ų27.426%0.25819%0.187SC..EExtended strand (participates in β ladder)trans-128.5124.2-173.6-49.60000110.6S618 F620S618-T680 PolarHBondContact O-N 2.83Å; F620-T680 PolarHBondContact N-O 2.93Å
681F85.7Confident81.8Confident0 Ų025.1 Ų25.10%017%0.168CC..EExtended strand (participates in β ladder)trans-128.9121.4178.4-178.6-81.1000110.7F620 A673 N675 Q683 A735 N737 T742 F743 N744F620-F681 HydrophobicContact CB-CD2 4.1Å; F620-F681 AromaticContact CD1-CD2 3.48Å; F620-F681 HydrophobicContact CD1-CD2 3.48Å; F620-F681 VanDerWaalsContact CD1-CD2 3.48Å; F620-F681 AromaticContact CD1-CE2 3.4Å; F620-F681 HydrophobicContact CD1-CE2 3.4Å; F620-F681 VanDerWaalsContact CD1-CE2 3.4Å; F620-F681 HydrophobicContact CD1-CG 4.29Å; F620-F681 HydrophobicContact CD1-CZ 4.11Å; F620-F681 HydrophobicContact CE1-CD2 4.13Å; F620-F681 AromaticContact CE1-CE2 3.54Å; F620-F681 HydrophobicContact CE1-CE2 3.54Å; F620-F681 AromaticContact CE1-CZ 4Å; F620-F681 HydrophobicContact CE1-CZ 4Å; F620-F681 AromaticContact CG-CD2 3.92Å; F620-F681 HydrophobicContact CG-CD2 3.92Å; F620-F681 HydrophobicContact CG-CE2 4.1Å; F620-F681 HydrophobicContact CZ-CE2 4.29Å; A673-F681 HydrophobicContact CB-CE2 3.8Å; A673-F681 HydrophobicContact CB-CZ 3.51Å; N675-F681 HydrophobicContact CB-CD2 3.66Å; N675-F681 HydrophobicContact CB-CE2 4.19Å; F681-Q683 HydrophobicContact CE1-CB 3.66Å; F681-Q683 HydrophobicContact CZ-CB 4.12Å; F681-A735 HydrophobicContact CE1-CB 3.37Å; F681-A735 HydrophobicContact CZ-CB 3.41Å; F681-A735 VanDerWaalsContact CZ-CB 3.41Å; F681-N737 HydrophobicContact CB-CB 4.19Å; F681-N737 WeakPolarHBondContact CB-ND2 3.33Å; F681-N737 HydrophobicContact CD2-CB 4.41Å; F681-N737 HydrophobicContact CG-CB 4.29Å; F681-T742 PolarHBondContact N-O 3.03Å; F681-F743 HydrophobicContact CB-CD2 4.19Å; F681-F743 AromaticContact CD1-CD2 3.52Å; F681-F743 HydrophobicContact CD1-CD2 3.52Å; F681-F743 AromaticContact CD1-CE2 3.48Å; F681-F743 HydrophobicContact CD1-CE2 3.48Å; F681-F743 VanDerWaalsContact CD1-CE2 3.48Å; F681-F743 HydrophobicContact CD1-CG 4.38Å; F681-F743 HydrophobicContact CD1-CZ 4.26Å; F681-F743 HydrophobicContact CE1-CD2 4.15Å; F681-F743 AromaticContact CE1-CE2 3.61Å; F681-F743 HydrophobicContact CE1-CE2 3.61Å; F681-F743 HydrophobicContact CE1-CZ 4.15Å; F681-F743 HydrophobicContact CG-CD2 4.01Å; F681-F743 HydrophobicContact CG-CE2 4.22Å; F681-F743 HydrophobicContact CZ-CE2 4.39Å; F681-N744 PolarHBondContact O-N 2.8Å
682N85.5Confident81.6Confident49 Ų4926.7 Ų26.726%0.26218%0.178SC..EExtended strand (participates in β ladder)trans-124.8122.9174.1-57-55.5000110.1F620 N621 Q622 N744F620-N682 PolarHBondContact O-N 3.37Å; N621-N682 WeakPolarHBondContact CA-O 3.26Å; N621-N682 PolarHBondContact OD1-ND2 3.16Å; Q622-N682 PolarHBondContact N-O 2.92Å; N682-N744 WeakPolarHBondContact CA-O 3.42Å; N682-N744 PolarHBondContact OD1-ND2 2.85Å
683Q84.8Confident81Confident6 Ų625 Ų253%0.02817%0.166CC..EExtended strand (participates in β ladder)trans-125.5121.7170.7-178.6-175.46300109.4Q622 F681 S734 N744 Q745 G746Q622-Q683 CarbonylContact O-C 3.59Å; Q622-Q683 WeakPolarHBondContact O-CA 3.22Å; F681-Q683 HydrophobicContact CE1-CB 3.66Å; F681-Q683 HydrophobicContact CZ-CB 4.12Å; Q683-S734 PolarHBondContact NE2-O 3.4Å; Q683-S734 VanDerWaalsContact NE2-O 3.14Å; Q683-N744 PolarHBondContact N-O 3.44Å; Q683-Q745 CarbonylContact O-C 3.42Å; Q683-Q745 WeakPolarHBondContact O-CA 3.26Å; Q683-G746 PolarHBondContact O-N 3.32Å
684G80.7Confident80.5Confident31 Ų3124.8 Ų24.832%0.3217%0.165SC..EExtended strand (participates in β ladder)trans-114.313317500000111.3Q622 F624Q622-G684 PolarHBondContact O-N 2.9Å; F624-G684 PolarHBondContact N-O 2.85Å
685F86Confident80.3Confident2 Ų226.7 Ų26.71%0.00917%0.172CC..EExtended strand (participates in β ladder)trans-126.4120.2172-176-81.6000109.4F624 V669 V671 V731 V733 G746 F747 T748F624-F685 HydrophobicContact CB-CD2 3.99Å; F624-F685 AromaticContact CD1-CD2 3.44Å; F624-F685 HydrophobicContact CD1-CD2 3.44Å; F624-F685 VanDerWaalsContact CD1-CD2 3.44Å; F624-F685 AromaticContact CD1-CE2 3.22Å; F624-F685 HydrophobicContact CD1-CE2 3.22Å; F624-F685 HydrophobicContact CD1-CG 4.25Å; F624-F685 AromaticContact CD1-CZ 3.88Å; F624-F685 HydrophobicContact CD1-CZ 3.88Å; F624-F685 HydrophobicContact CE1-CD2 4.15Å; F624-F685 AromaticContact CE1-CE2 3.44Å; F624-F685 HydrophobicContact CE1-CE2 3.44Å; F624-F685 VanDerWaalsContact CE1-CE2 3.44Å; F624-F685 AromaticContact CE1-CZ 3.81Å; F624-F685 HydrophobicContact CE1-CZ 3.81Å; F624-F685 AromaticContact CG-CD2 3.84Å; F624-F685 HydrophobicContact CG-CD2 3.84Å; F624-F685 AromaticContact CG-CE2 3.91Å; F624-F685 HydrophobicContact CG-CE2 3.91Å; F624-F685 HydrophobicContact CZ-CE2 4.27Å; F624-F685 CarbonylContact O-C 3.59Å; F624-F685 WeakPolarHBondContact O-CA 3.39Å; V669-F685 HydrophobicContact CB-CE2 4.5Å; V669-F685 HydrophobicContact CG1-CE2 3.69Å; V669-F685 HydrophobicContact CG1-CZ 4.17Å; V671-F685 HydrophobicContact CG2-CD2 3.94Å; V671-F685 HydrophobicContact CG2-CE2 3.98Å; F685-V731 HydrophobicContact CE1-CG1 3.89Å; F685-V731 HydrophobicContact CE2-CG1 3.84Å; F685-V731 HydrophobicContact CZ-CG1 3.45Å; F685-V731 VanDerWaalsContact CZ-CG1 3.45Å; F685-V731 HydrophobicContact CZ-CG2 4.42Å; F685-V733 HydrophobicContact CB-CG2 4.33Å; F685-V733 HydrophobicContact CD2-CG2 3.75Å; F685-V733 HydrophobicContact CE2-CG2 4.22Å; F685-V733 HydrophobicContact CG-CG2 3.99Å; F685-G746 PolarHBondContact N-O 3.25Å; F685-F747 HydrophobicContact CB-CD2 4.03Å; F685-F747 AromaticContact CD1-CD2 3.45Å; F685-F747 HydrophobicContact CD1-CD2 3.45Å; F685-F747 VanDerWaalsContact CD1-CD2 3.45Å; F685-F747 AromaticContact CD1-CE2 3.26Å; F685-F747 HydrophobicContact CD1-CE2 3.26Å; F685-F747 HydrophobicContact CD1-CG 4.32Å; F685-F747 HydrophobicContact CD1-CZ 4Å; F685-F747 HydrophobicContact CE1-CD2 4.16Å; F685-F747 AromaticContact CE1-CE2 3.48Å; F685-F747 HydrophobicContact CE1-CE2 3.48Å; F685-F747 VanDerWaalsContact CE1-CE2 3.48Å; F685-F747 AromaticContact CE1-CZ 3.95Å; F685-F747 HydrophobicContact CE1-CZ 3.95Å; F685-F747 AromaticContact CG-CD2 3.88Å; F685-F747 HydrophobicContact CG-CD2 3.88Å; F685-F747 AromaticContact CG-CE2 3.99Å; F685-F747 HydrophobicContact CG-CE2 3.99Å; F685-F747 HydrophobicContact CZ-CE2 4.34Å; F685-F747 CarbonylContact O-C 3.57Å; F685-F747 WeakPolarHBondContact O-CA 3.28Å; F685-T748 PolarHBondContact O-N 2.86Å
686T85.5Confident80.1Confident60 Ų6026.9 Ų26.937%0.36817%0.173SC..EExtended strand (participates in β ladder)trans-124.8124.3177.5-57.40000109.7F624 T625 Y626 T748F624-T686 PolarHBondContact O-N 2.85Å; T625-T686 WeakPolarHBondContact CA-O 3.41Å; Y626-T686 PolarHBondContact N-O 3.46Å; T686-T748 WeakPolarHBondContact CA-O 3.44Å
687Y83.1Confident80.5Confident3 Ų326.4 Ų26.41%0.01217%0.171CC..EExtended strand (participates in β ladder)trans-116.7118.6169.2-179.7-79.5000108.1Y626 L667 V689 K726 T748 Y749 G750Y626-Y687 AromaticContact CD1-CD2 3.45Å; Y626-Y687 HydrophobicContact CD1-CD2 3.45Å; Y626-Y687 VanDerWaalsContact CD1-CD2 3.45Å; Y626-Y687 AromaticContact CD1-CE2 3.22Å; Y626-Y687 HydrophobicContact CD1-CE2 3.22Å; Y626-Y687 HydrophobicContact CD1-CG 4.29Å; Y626-Y687 AromaticContact CD1-CZ 3.88Å; Y626-Y687 HydrophobicContact CE1-CD2 4.19Å; Y626-Y687 AromaticContact CE1-CE2 3.47Å; Y626-Y687 HydrophobicContact CE1-CE2 3.47Å; Y626-Y687 VanDerWaalsContact CE1-CE2 3.47Å; Y626-Y687 AromaticContact CE1-CZ 3.85Å; Y626-Y687 AromaticContact CG-CD2 3.9Å; Y626-Y687 HydrophobicContact CG-CD2 3.9Å; Y626-Y687 AromaticContact CG-CE2 3.95Å; Y626-Y687 HydrophobicContact CG-CE2 3.95Å; L667-Y687 HydrophobicContact CD2-CD2 4.33Å; L667-Y687 HydrophobicContact CD2-CE2 3.57Å; Y687-V689 HydrophobicContact CE1-CG2 3.69Å; Y687-V689 WeakPolarHBondContact OH-CG2 3.4Å; Y687-K726 PolarHBondContact OH-NZ 3.38Å; Y687-T748 PolarHBondContact N-O 3.46Å; Y687-Y749 AromaticContact CD1-CD2 3.44Å; Y687-Y749 HydrophobicContact CD1-CD2 3.44Å; Y687-Y749 VanDerWaalsContact CD1-CD2 3.44Å; Y687-Y749 AromaticContact CD1-CE2 3.25Å; Y687-Y749 HydrophobicContact CD1-CE2 3.25Å; Y687-Y749 HydrophobicContact CD1-CG 4.27Å; Y687-Y749 AromaticContact CD1-CZ 3.92Å; Y687-Y749 HydrophobicContact CE1-CD2 4.19Å; Y687-Y749 AromaticContact CE1-CE2 3.51Å; Y687-Y749 HydrophobicContact CE1-CE2 3.51Å; Y687-Y749 AromaticContact CE1-CZ 3.9Å; Y687-Y749 AromaticContact CG-CD2 3.88Å; Y687-Y749 HydrophobicContact CG-CD2 3.88Å; Y687-Y749 AromaticContact CG-CE2 3.96Å; Y687-Y749 HydrophobicContact CG-CE2 3.96Å; Y687-G750 PolarHBondContact O-N 2.84Å
688G81.7Confident80.8Confident22 Ų2222.5 Ų22.523%0.22715%0.147CC..EExtended strand (participates in β ladder)trans-127.1134.717700000111Y626 G627 V628 G750Y626-G688 PolarHBondContact O-N 3.15Å; G627-G688 WeakPolarHBondContact CA-O 3.38Å; V628-G688 PolarHBondContact N-O 3.38Å; V628-G688 VanDerWaalsContact N-O 3.13Å; G688-G750 WeakPolarHBondContact CA-O 3.42Å
689V82.1Confident81.4Confident0 Ų024.8 Ų24.80%016%0.159CC..EExtended strand (participates in β ladder)trans-128.5127.7159.8178.80000106.5V628 F660 Y687 F722 G750 V751 T752V628-V689 HydrophobicContact CB-CG1 4.49Å; V628-V689 HydrophobicContact CB-CG2 4.35Å; V628-V689 CarbonylContact O-C 3.5Å; V628-V689 VanDerWaalsContact O-CA 3.29Å; V628-V689 WeakPolarHBondContact O-CA 3.48Å; F660-V689 HydrophobicContact CE1-CG1 4.32Å; F660-V689 HydrophobicContact CE2-CG1 4.35Å; F660-V689 HydrophobicContact CZ-CG1 3.65Å; Y687-V689 HydrophobicContact CE1-CG2 3.69Å; Y687-V689 WeakPolarHBondContact OH-CG2 3.4Å; V689-F722 HydrophobicContact CG1-CE2 4.01Å; V689-F722 HydrophobicContact CG1-CZ 4.3Å; V689-G750 PolarHBondContact N-O 3.01Å; V689-G750 VanDerWaalsContact N-O 3.11Å; V689-V751 HydrophobicContact CB-CG2 4.38Å; V689-V751 CarbonylContact O-C 3.44Å; V689-V751 VanDerWaalsContact O-CA 3.3Å; V689-V751 WeakPolarHBondContact O-CA 3.34Å; V689-T752 PolarHBondContact O-N 2.9Å
690T84.2Confident81.4Confident45 Ų4522.9 Ų22.928%0.27615%0.146SC..EExtended strand (participates in β ladder)trans-124.1129.3176.6-61.50000107.2V628 T629 D630 T692 T752V628-T690 PolarHBondContact O-N 3.48Å; T629-T690 WeakPolarHBondContact CA-O 3.32Å; D630-T690 PolarHBondContact N-O 3.28Å; T690-T692 HydrophobicContact CG2-CG2 3.85Å; T690-T752 WeakPolarHBondContact CA-O 3.33Å
691D82.3Confident81.6Confident0 Ų023.8 Ų23.80%015%0.152CC..EExtended strand (participates in β ladder)trans-117.5133.4166.3-171.314.1000106.2F660 F722 T752 T754F660-D691 WeakPolarHBondContact CB-OD2 3.44Å; F660-D691 HydrophobicContact CD2-CB 4.31Å; F660-D691 HydrophobicContact CG-CB 4.35Å; F660-D691 WeakPolarHBondContact CG-OD2 3.35Å; D691-F722 HydrophobicContact CB-CD2 3.54Å; D691-F722 HydrophobicContact CB-CE2 4.02Å; D691-F722 WeakPolarHBondContact OD2-CD2 3.26Å; D691-T752 PolarHBondContact N-O 2.71Å; D691-T754 PolarHBondContact O-N 2.88Å
692T82Confident81.2Confident36 Ų3624.1 Ų24.122%0.22115%0.153CC..EExtended strand (participates in β ladder)trans-124.8109.2176.658.40000109.8D630 T631 A632 T690 T754D630-T692 PolarHBondContact O-N 2.81Å; D630-T692 VanDerWaalsContact O-N 3.14Å; D630-T692 PolarHBondContact O-OG1 2.83Å; T631-T692 VanDerWaalsContact CA-OG1 3.25Å; T631-T692 WeakPolarHBondContact CA-OG1 3.48Å; T631-T692 WeakPolarHBondContact CG2-OG1 3.41Å; T631-T692 PolarHBondContact OG1-OG1 3.08Å; A632-T692 WeakPolarHBondContact CB-O 3.41Å; A632-T692 PolarHBondContact N-O 3.01Å; T690-T692 HydrophobicContact CG2-CG2 3.85Å; T692-T754 WeakPolarHBondContact CA-OG1 3.29Å; T692-T754 HydrophobicContact CG2-CG2 4.46Å
693A73.8Confident80.9Confident9 Ų924.1 Ų24.17%0.07416%0.155CC..PPolyproline II helixtrans-57.9162.1175.600000114.7D720 T754 P756A693-D720 HydrophobicContact CB-CB 4.27Å; A693-D720 WeakPolarHBondContact CB-OD2 3.5Å; A693-T754 WeakPolarHBondContact CB-O 3.42Å; A693-T754 PolarHBondContact N-O 3.4Å; A693-T754 VanDerWaalsContact N-O 3.1Å; A693-T754 PolarHBondContact N-OG1 2.9Å; A693-P756 HydrophobicContact CB-CB 4.23Å; A693-P756 HydrophobicContact CB-CG 3.79Å
694P74.9Confident80.3Confident1 Ų123.8 Ų23.81%0.00615%0.154CC..PPolyproline II helixtrans-79.4139.9-175.829.9-35.1000113.1A632 P633 D658 V696 P756A632-P694 HydrophobicContact CB-CB 3.94Å; A632-P694 VanDerWaalsContact CB-CD 3.49Å; A632-P694 HydrophobicContact CB-CG 4.22Å; P633-P694 WeakPolarHBondContact O-CB 3.46Å; D658-P694 HydrophobicContact CB-CG 4.29Å; P694-V696 HydrophobicContact CB-CG2 4.28Å; P694-V696 HydrophobicContact CG-CG2 4.49Å; P694-P756 WeakPolarHBondContact O-CA 3.25Å
695D78.6Confident79.7Confident77 Ų7724.6 Ų24.641%0.41215%0.154SC..PPolyproline II helixtrans-85.3119.8165.5-72-12.7000110D634 V635 D757D634-D695 CarbonylContact C-O 3.57Å; D634-D695 WeakPolarHBondContact CA-O 3.43Å; D634-D695 WeakPolarHBondContact OD1-CB 3.39Å; D634-D695 PolarHBondContact OD1-N 2.83Å; V635-D695 PolarHBondContact N-O 2.64Å; D695-D757 WeakPolarHBondContact CA-O 3.28Å; D695-D757 VanDerWaalsContact OD1-CB 3.31Å; D695-D757 WeakPolarHBondContact OD1-CB 3.2Å
696V78.1Confident78.6Confident4 Ų427.2 Ų27.22%0.02418%0.176CC..EExtended strand (participates in β ladder)trans-116.7115.7-175.8-176.90000111.4V635 T656 P694 T716 T718 D757 V758 S759V635-V696 HydrophobicContact CB-CG2 4.34Å; V635-V696 CarbonylContact O-C 3.59Å; V635-V696 WeakPolarHBondContact O-CA 3.5Å; T656-V696 HydrophobicContact CG2-CG2 4.41Å; P694-V696 HydrophobicContact CB-CG2 4.28Å; P694-V696 HydrophobicContact CG-CG2 4.49Å; V696-T716 HydrophobicContact CG1-CG2 3.81Å; V696-T718 HydrophobicContact CB-CG2 3.78Å; V696-T718 HydrophobicContact CG1-CG2 4.11Å; V696-T718 HydrophobicContact CG2-CG2 3.49Å; V696-T718 VanDerWaalsContact CG2-CG2 3.49Å; V696-D757 PolarHBondContact N-O 3.42Å; V696-V758 HydrophobicContact CB-CG2 4.37Å; V696-V758 WeakPolarHBondContact O-CA 3.45Å; V696-S759 PolarHBondContact O-N 3.21Å
697S82.2Confident77.4Confident30 Ų3024.4 Ų24.421%0.2116%0.159CC..EExtended strand (participates in β ladder)trans-116.5123.817667.40000111.9V635 S636 T637 S759V635-S697 PolarHBondContact O-N 3.44Å; S636-S697 WeakPolarHBondContact CA-O 3.22Å; S636-S697 WeakPolarHBondContact CB-OG 3.17Å; T637-S697 PolarHBondContact N-O 2.87Å; S697-S759 WeakPolarHBondContact CA-O 3.46Å; S697-S759 WeakPolarHBondContact CB-OG 3.26Å
698T79.6Confident76.6Confident6 Ų627.2 Ų27.24%0.03718%0.176CC..EExtended strand (participates in β ladder)trans-120108.5174.1-55.70000109.3T653 T714 T716 S759 T760 N761T653-T698 HydrophobicContact CG2-CG2 3.83Å; T698-T714 HydrophobicContact CG2-CG2 3.91Å; T698-T716 PolarHBondContact OG1-OG1 3.18Å; T698-S759 PolarHBondContact N-O 2.92Å; T698-T760 WeakPolarHBondContact O-CA 3.4Å; T698-N761 PolarHBondContact O-N 3.26Å
699N81.4Confident76.2Confident49 Ų4928.8 Ų28.826%0.26218%0.18SC..EExtended strand (participates in β ladder)trans-116.7124-178.9-55.3-59.4000111.2T637 N638 S639 N761T637-N699 PolarHBondContact O-N 2.8Å; N638-N699 WeakPolarHBondContact CA-O 3.37Å; N638-N699 WeakPolarHBondContact OD1-CB 3.49Å; N638-N699 PolarHBondContact OD1-ND2 2.8Å; S639-N699 PolarHBondContact N-O 2.82Å; N699-N761 CarbonylContact C-O 3.51Å; N699-N761 WeakPolarHBondContact CA-O 3.49Å; N699-N761 WeakPolarHBondContact OD1-CB 3.34Å; N699-N761 PolarHBondContact OD1-ND2 2.93Å
700S77.7Confident75.9Confident8 Ų828.9 Ų28.96%0.05618%0.18CC..EExtended strand (participates in β ladder)trans-125.9125.4178.1-69.50000111.5S639 N761 S762 T763S639-S700 CarbonylContact O-C 3.57Å; S639-S700 WeakPolarHBondContact O-CA 3.45Å; S700-N761 PolarHBondContact N-O 2.85Å; S700-S762 CarbonylContact O-C 3.51Å; S700-S762 WeakPolarHBondContact O-CA 3.48Å; S700-T763 PolarHBondContact O-N 3.34Å
701T82.9Confident75.6Confident62 Ų6229 Ų2938%0.3818%0.181SC..EExtended strand (participates in β ladder)trans-115.6110.2169.7-59.30000109S639 T640 I641 T763S639-T701 PolarHBondContact O-N 2.89Å; T640-T701 WeakPolarHBondContact CA-O 3.34Å; I641-T701 PolarHBondContact N-O 2.88Å; T701-T763 WeakPolarHBondContact CA-O 3.2Å
702I78.7Confident75.2Confident6 Ų629.2 Ų29.23%0.03118%0.182CC..EExtended strand (participates in β ladder)trans-119.4122.5-174.9-57.1174.5000109.6I641 F649 T651 F710 T712 T763 I764 T765I641-I702 HydrophobicContact CB-CG1 4.44Å; I641-I702 WeakPolarHBondContact O-CA 3.4Å; F649-I702 HydrophobicContact CE1-CD1 4.32Å; F649-I702 HydrophobicContact CE1-CG2 3.73Å; F649-I702 HydrophobicContact CE2-CG2 4.26Å; F649-I702 HydrophobicContact CZ-CG2 3.41Å; F649-I702 VanDerWaalsContact CZ-CG2 3.41Å; T651-I702 HydrophobicContact CG2-CD1 4.36Å; I702-F710 HydrophobicContact CG2-CE2 4.02Å; I702-F710 HydrophobicContact CG2-CZ 3.91Å; I702-T712 HydrophobicContact CD1-CG2 3.94Å; I702-T763 PolarHBondContact N-O 2.71Å; I702-I764 HydrophobicContact CB-CG1 4.44Å; I702-I764 WeakPolarHBondContact O-CA 3.29Å; I702-T765 PolarHBondContact O-N 3.37Å
703T79.1Confident75Confident49 Ų4929.5 Ų29.530%0.30118%0.184SC..EExtended strand (participates in β ladder)trans-119.3114.8172-57.70000110I641 T642 A643 T765I641-T703 PolarHBondContact O-N 3.15Å; T642-T703 WeakPolarHBondContact CA-O 3.32Å; A643-T703 PolarHBondContact N-O 3.38Å; T703-T765 WeakPolarHBondContact CA-O 3.45Å
704A71.3Confident74.9Confident0 Ų029.3 Ų29.30%018%0.182CC..EExtended strand (participates in β ladder)trans-122.3127.217800000111.3A643 F710 T765 A766 S767A643-A704 WeakPolarHBondContact O-CA 3.15Å; A704-F710 HydrophobicContact CB-CD2 3.94Å; A704-F710 HydrophobicContact CB-CE2 3.69Å; A704-T765 PolarHBondContact N-O 2.94Å; A704-A766 WeakPolarHBondContact O-CA 3.5Å; A704-S767 PolarHBondContact O-N 2.76Å
705S68.2Low74.9Confident48 Ų4831 Ų3134%0.33619%0.192SC..EExtended strand (participates in β ladder)trans-116.5127.5179.8-48.70000110.8A643 A645A643-S705 PolarHBondContact O-N 3.08Å; A645-S705 WeakPolarHBondContact CA-O 3.49Å; A645-S705 PolarHBondContact N-O 3.29Å
706A63Low74.6Confident56 Ų5627.3 Ų27.346%0.46317%0.173SC..EExtended strand (participates in β ladder)trans6076.9-179.900000114.2T646 S767T646-A706 PolarHBondContact N-O 3.39Å; A706-S767 WeakPolarHBondContact CA-O 3.45Å; A706-S767 PolarHBondContact N-O 2.99Å
707T61.3Low74.4Confident1 Ų129.6 Ų29.61%0.00619%0.187CC..EExtended strand (participates in β ladder)trans-129.5116.8-171.7-34.30000114.5T646 F649 A768 T769T646-T707 WeakPolarHBondContact O-CA 3.27Å; T646-T707 VanDerWaalsContact OG1-CG2 3.32Å; T646-T707 WeakPolarHBondContact OG1-CG2 3.5Å; T646-T707 PolarHBondContact OG1-OG1 2.94Å; F649-T707 HydrophobicContact CB-CG2 4.04Å; T707-A768 PolarHBondContact N-O 3.36Å; T707-T769 WeakPolarHBondContact O-CA 3.36Å; T707-T769 WeakPolarHBondContact O-CB 3.29Å; T707-T769 WeakPolarHBondContact O-CG2 3.48Å
708T66.6Low74.1Confident62 Ų6228.2 Ų28.238%0.3818%0.177SC..EExtended strand (participates in β ladder)trans-65.9-46.6-179.141.90000113.7T647 T770 N771T647-T708 WeakPolarHBondContact CA-OG1 3.21Å; T647-T708 WeakPolarHBondContact CB-OG1 3.14Å; T647-T708 PolarHBondContact O-N 3.07Å; T647-T708 PolarHBondContact O-OG1 3.47Å; T708-T770 PolarHBondContact O-N 3.31Å; T708-T770 VanDerWaalsContact O-N 3.07Å; T708-T770 PolarHBondContact O-OG1 3.02Å; T708-N771 PolarHBondContact O-N 2.92Å
709N72.7Confident73.8Confident56 Ų5630.4 Ų30.430%0.29919%0.19SC..EExtended strand (participates in β ladder)trans-125.7121.7177.9-56.3-54.9000110.3T647 N648 F649 N771T647-N709 PolarHBondContact O-N 3.19Å; N648-N709 WeakPolarHBondContact CA-O 3.36Å; N648-N709 PolarHBondContact OD1-ND2 3.03Å; F649-N709 PolarHBondContact N-O 2.93Å; N709-N771 WeakPolarHBondContact CA-O 3.42Å; N709-N771 PolarHBondContact OD1-ND2 3.1Å
710F74.7Confident73.5Confident1 Ų128.2 Ų28.20%0.00418%0.178CC..EExtended strand (participates in β ladder)trans-117.1119.6179-175.8-86.8000109.7F649 I702 A704 T712 I764 A766 T769 N771 F772 T773 T774F649-F710 HydrophobicContact CB-CD2 3.95Å; F649-F710 HydrophobicContact CB-CE2 4.45Å; F649-F710 AromaticContact CD1-CD2 3.63Å; F649-F710 HydrophobicContact CD1-CD2 3.63Å; F649-F710 AromaticContact CD1-CE2 3.34Å; F649-F710 HydrophobicContact CD1-CE2 3.34Å; F649-F710 HydrophobicContact CD1-CG 4.4Å; F649-F710 AromaticContact CD1-CZ 3.93Å; F649-F710 HydrophobicContact CD1-CZ 3.93Å; F649-F710 HydrophobicContact CE1-CD2 4.35Å; F649-F710 AromaticContact CE1-CE2 3.6Å; F649-F710 HydrophobicContact CE1-CE2 3.6Å; F649-F710 AromaticContact CE1-CZ 3.9Å; F649-F710 HydrophobicContact CE1-CZ 3.9Å; F649-F710 AromaticContact CG-CD2 3.87Å; F649-F710 HydrophobicContact CG-CD2 3.87Å; F649-F710 AromaticContact CG-CE2 3.87Å; F649-F710 HydrophobicContact CG-CE2 3.87Å; F649-F710 HydrophobicContact CZ-CE2 4.3Å; I702-F710 HydrophobicContact CG2-CE2 4.02Å; I702-F710 HydrophobicContact CG2-CZ 3.91Å; A704-F710 HydrophobicContact CB-CD2 3.94Å; A704-F710 HydrophobicContact CB-CE2 3.69Å; F710-T712 HydrophobicContact CD1-CG2 4.13Å; F710-T712 HydrophobicContact CE1-CG2 3.27Å; F710-T712 HydrophobicContact CE2-CG2 4.4Å; F710-T712 HydrophobicContact CZ-CG2 3.42Å; F710-T712 VanDerWaalsContact CZ-CG2 3.42Å; F710-I764 HydrophobicContact CE1-CG2 3.64Å; F710-I764 HydrophobicContact CZ-CG2 3.47Å; F710-I764 VanDerWaalsContact CZ-CG2 3.47Å; F710-A766 HydrophobicContact CD2-CB 4.5Å; F710-T769 HydrophobicContact CB-CG2 3.67Å; F710-N771 PolarHBondContact N-O 3.33Å; F710-F772 HydrophobicContact CB-CD2 4.04Å; F710-F772 AromaticContact CD1-CD2 3.41Å; F710-F772 HydrophobicContact CD1-CD2 3.41Å; F710-F772 VanDerWaalsContact CD1-CD2 3.41Å; F710-F772 AromaticContact CD1-CE2 3.24Å; F710-F772 HydrophobicContact CD1-CE2 3.24Å; F710-F772 HydrophobicContact CD1-CG 4.24Å; F710-F772 AromaticContact CD1-CZ 3.97Å; F710-F772 HydrophobicContact CD1-CZ 3.97Å; F710-F772 HydrophobicContact CE1-CD2 4.08Å; F710-F772 AromaticContact CE1-CE2 3.4Å; F710-F772 HydrophobicContact CE1-CE2 3.4Å; F710-F772 VanDerWaalsContact CE1-CE2 3.4Å; F710-F772 AromaticContact CE1-CZ 3.87Å; F710-F772 HydrophobicContact CE1-CZ 3.87Å; F710-F772 AromaticContact CG-CD2 3.91Å; F710-F772 HydrophobicContact CG-CD2 3.91Å; F710-F772 HydrophobicContact CG-CE2 4.02Å; F710-F772 HydrophobicContact CZ-CE2 4.31Å; F710-T773 PolarHBondContact O-N 3.09Å; F710-T774 HydrophobicContact CE1-CG2 4.3Å
711T78Confident73.3Confident49 Ų4928.9 Ų28.930%0.30119%0.187SC..EExtended strand (participates in β ladder)trans-128.9129.7179.2-55.80000109.9F649 T650 T651 T773F649-T711 WeakPolarHBondContact O-CA 3.5Å; F649-T711 PolarHBondContact O-N 2.93Å; T650-T711 VanDerWaalsContact CA-O 3.29Å; T650-T711 WeakPolarHBondContact CA-O 3.06Å; T651-T711 PolarHBondContact N-O 3.49Å; T711-T773 CarbonylContact C-O 3.49Å; T711-T773 VanDerWaalsContact CA-O 3.27Å; T711-T773 WeakPolarHBondContact CA-O 3.45Å
712T74Confident73Confident4 Ų425.9 Ų25.93%0.02517%0.168CC..EExtended strand (participates in β ladder)trans-133.5138.1171.762.90000109.5F649 T651 I702 F710 I764 T773 T774 T775F649-T712 HydrophobicContact CD1-CG2 4.3Å; F649-T712 HydrophobicContact CE1-CG2 3.99Å; T651-T712 WeakPolarHBondContact OG1-CB 3.05Å; T651-T712 VanDerWaalsContact OG1-CG2 3.3Å; T651-T712 WeakPolarHBondContact OG1-CG2 3.39Å; I702-T712 HydrophobicContact CD1-CG2 3.94Å; F710-T712 HydrophobicContact CD1-CG2 4.13Å; F710-T712 HydrophobicContact CE1-CG2 3.27Å; F710-T712 HydrophobicContact CE2-CG2 4.4Å; F710-T712 HydrophobicContact CZ-CG2 3.42Å; F710-T712 VanDerWaalsContact CZ-CG2 3.42Å; T712-I764 HydrophobicContact CG2-CD1 4.4Å; T712-T773 PolarHBondContact N-O 3.03Å; T712-T774 WeakPolarHBondContact O-CA 3.34Å; T712-T774 WeakPolarHBondContact OG1-CB 3.49Å; T712-T774 VanDerWaalsContact OG1-CG2 3.29Å; T712-T774 WeakPolarHBondContact OG1-CG2 3.19Å; T712-T775 PolarHBondContact O-N 3.2Å
713T77.4Confident72.8Confident41 Ų4127.9 Ų27.925%0.25218%0.179SC..EExtended strand (participates in β ladder)trans-130.2114.6177-56.60000108.4T651 T652 T653 T775T651-T713 PolarHBondContact O-N 3.06Å; T652-T713 VanDerWaalsContact CA-O 3.23Å; T652-T713 WeakPolarHBondContact CA-O 3.46Å; T653-T713 PolarHBondContact N-O 3.3Å; T713-T775 CarbonylContact C-O 3.58Å; T713-T775 VanDerWaalsContact CA-O 3.3Å; T713-T775 WeakPolarHBondContact CA-O 3.38Å
714T71.9Confident72.5Confident6 Ų625.6 Ų25.64%0.03717%0.165CC..EExtended strand (participates in β ladder)trans-112.6121.2171.4-550000107.5T698 T760 T775 T776 T777T698-T714 HydrophobicContact CG2-CG2 3.91Å; T714-T760 HydrophobicContact CG2-CG2 3.82Å; T714-T775 PolarHBondContact N-O 3.25Å; T714-T776 CarbonylContact O-C 3.57Å; T714-T776 VanDerWaalsContact O-CA 3.3Å; T714-T776 WeakPolarHBondContact O-CA 3.16Å; T714-T777 PolarHBondContact O-N 2.83Å
715T75Confident72.2Confident35 Ų3527.4 Ų27.422%0.21518%0.178CC..EExtended strand (participates in β ladder)trans-119.7119.5175.3-590000107.6T653 T654 T717 T777T653-T715 CarbonylContact C-O 3.56Å; T653-T715 CarbonylContact O-C 3.6Å; T653-T715 WeakPolarHBondContact O-CA 3.35Å; T653-T715 PolarHBondContact O-N 2.81Å; T654-T715 WeakPolarHBondContact CA-O 2.95Å; T654-T715 HydrophobicContact CG2-CG2 4.37Å; T715-T717 HydrophobicContact CG2-CG2 3.94Å; T715-T777 CarbonylContact C-O 3.52Å; T715-T777 VanDerWaalsContact CA-O 3.27Å; T715-T777 WeakPolarHBondContact CA-O 3.29Å
716T72.1Confident71.9Confident1 Ų125.3 Ų25.31%0.00616%0.163CC..EExtended strand (participates in β ladder)trans-116.9121.9171.1-54.90000106.1V696 T698 T718 V758 T777 T778 T779V696-T716 HydrophobicContact CG1-CG2 3.81Å; T698-T716 PolarHBondContact OG1-OG1 3.18Å; T716-T718 HydrophobicContact CG2-CG2 4.5Å; T716-V758 HydrophobicContact CG2-CG1 3.74Å; T716-T777 PolarHBondContact N-O 3.45Å; T716-T778 CarbonylContact O-C 3.57Å; T716-T778 VanDerWaalsContact O-CA 3.28Å; T716-T778 WeakPolarHBondContact O-CA 3.45Å; T716-T779 PolarHBondContact O-N 2.92Å
717T74.9Confident71.4Confident52 Ų5225.5 Ų25.532%0.31916%0.161SC..EExtended strand (participates in β ladder)trans-125.3113.6-179.9480000106.5T655 T656 T715 T779T655-T717 CarbonylContact C-O 3.57Å; T655-T717 PolarHBondContact O-N 2.9Å; T656-T717 CarbonylContact C-O 3.53Å; T656-T717 PolarHBondContact N-O 3.41Å; T715-T717 HydrophobicContact CG2-CG2 3.94Å; T717-T779 CarbonylContact C-O 3.56Å; T717-T779 VanDerWaalsContact CA-O 3.22Å; T717-T779 WeakPolarHBondContact CA-O 3.45Å
718T74.5Confident71.6Confident1 Ų126.5 Ų26.51%0.00617%0.167CC..EExtended strand (participates in β ladder)trans-111.3136.5170.363.60000108.1V696 T716 V758 T779 T780 T781V696-T718 HydrophobicContact CB-CG2 3.78Å; V696-T718 HydrophobicContact CG1-CG2 4.11Å; V696-T718 HydrophobicContact CG2-CG2 3.49Å; V696-T718 VanDerWaalsContact CG2-CG2 3.49Å; T716-T718 HydrophobicContact CG2-CG2 4.5Å; T718-V758 HydrophobicContact CG2-CG1 4.46Å; T718-V758 HydrophobicContact CG2-CG2 3.59Å; T718-V758 WeakPolarHBondContact OG1-CG2 3.43Å; T718-T779 PolarHBondContact N-O 3.09Å; T718-T780 WeakPolarHBondContact O-CA 3.46Å; T718-T780 WeakPolarHBondContact OG1-CB 3.41Å; T718-T780 VanDerWaalsContact OG1-CG2 3.29Å; T718-T780 WeakPolarHBondContact OG1-CG2 3.36Å; T718-T781 PolarHBondContact O-N 3.05Å
719T75.2Confident71.7Confident52 Ų5223.5 Ų23.532%0.31915%0.149SC..EExtended strand (participates in β ladder)trans-127.8126.3169.4-53.50000105.7T657 D658 T781T657-T719 HydrophobicContact CG2-CG2 4.39Å; D658-T719 PolarHBondContact N-O 2.93Å; D658-T719 VanDerWaalsContact O-O 3.06Å; T719-T781 CarbonylContact C-O 3.59Å; T719-T781 VanDerWaalsContact CA-O 3.25Å; T719-T781 WeakPolarHBondContact CA-O 3.2Å
720D74.8Confident71.7Confident2 Ų223.3 Ų23.31%0.01115%0.148CC..EExtended strand (participates in β ladder)trans-122.8148.9165.2177.128.2000107.5A693 P756 T781 D782 G783A693-D720 HydrophobicContact CB-CB 4.27Å; A693-D720 WeakPolarHBondContact CB-OD2 3.5Å; D720-P756 HydrophobicContact CB-CG 3.82Å; D720-T781 PolarHBondContact N-O 2.79Å; D720-D782 WeakPolarHBondContact O-CA 3.46Å; D720-G783 PolarHBondContact O-N 2.89Å; D720-G783 VanDerWaalsContact O-N 3.14Å
721G72Confident71.5Confident22 Ų2223.5 Ų23.523%0.22715%0.149CC..  trans-152.391.7-176.800000112.3F660 N723F660-G721 PolarHBondContact N-O 3.04Å; G721-N723 PolarHBondContact O-N 3.48Å; G721-N723 VanDerWaalsContact O-N 3.12Å
722F77.6Confident71.4Confident0 Ų023.4 Ų23.40%015%0.154CC..  trans-67.3106.3166.9-177.9-90.8000112F660 V689 D691 Q724 V751 D753 G783 F784 N785F660-F722 HydrophobicContact CB-CD2 4.48Å; F660-F722 AromaticContact CD1-CD2 3.39Å; F660-F722 HydrophobicContact CD1-CD2 3.39Å; F660-F722 AromaticContact CD1-CE2 3.57Å; F660-F722 HydrophobicContact CD1-CE2 3.57Å; F660-F722 HydrophobicContact CD1-CG 4.1Å; F660-F722 HydrophobicContact CD1-CZ 4.39Å; F660-F722 AromaticContact CE1-CD2 3.71Å; F660-F722 HydrophobicContact CE1-CD2 3.71Å; F660-F722 AromaticContact CE1-CE2 3.34Å; F660-F722 HydrophobicContact CE1-CE2 3.34Å; F660-F722 AromaticContact CE1-CZ 3.95Å; F660-F722 HydrophobicContact CE1-CZ 3.95Å; F660-F722 AromaticContact CG-CD2 4Å; F660-F722 HydrophobicContact CG-CD2 4Å; F660-F722 HydrophobicContact CG-CE2 4.37Å; F660-F722 AromaticContact CZ-CE2 3.97Å; F660-F722 HydrophobicContact CZ-CE2 3.97Å; V689-F722 HydrophobicContact CG1-CE2 4.01Å; V689-F722 HydrophobicContact CG1-CZ 4.3Å; D691-F722 HydrophobicContact CB-CD2 3.54Å; D691-F722 HydrophobicContact CB-CE2 4.02Å; D691-F722 WeakPolarHBondContact OD2-CD2 3.26Å; F722-Q724 HydrophobicContact CD1-CB 4.42Å; F722-Q724 HydrophobicContact CE1-CB 3.49Å; F722-Q724 VanDerWaalsContact CE1-CB 3.49Å; F722-Q724 HydrophobicContact CZ-CB 3.68Å; F722-V751 HydrophobicContact CE1-CG1 3.97Å; F722-V751 HydrophobicContact CE2-CG1 4.12Å; F722-V751 HydrophobicContact CZ-CG1 3.44Å; F722-V751 VanDerWaalsContact CZ-CG1 3.44Å; F722-D753 HydrophobicContact CB-CB 4.43Å; F722-D753 WeakPolarHBondContact CB-OD2 3.3Å; F722-D753 HydrophobicContact CG-CB 4.44Å; F722-G783 PolarHBondContact N-O 3.25Å; F722-G783 VanDerWaalsContact O-O 3.14Å; F722-F784 HydrophobicContact CB-CD2 4.1Å; F722-F784 AromaticContact CD1-CD2 3.4Å; F722-F784 HydrophobicContact CD1-CD2 3.4Å; F722-F784 VanDerWaalsContact CD1-CD2 3.4Å; F722-F784 AromaticContact CD1-CE2 3.35Å; F722-F784 HydrophobicContact CD1-CE2 3.35Å; F722-F784 HydrophobicContact CD1-CG 4.22Å; F722-F784 HydrophobicContact CD1-CZ 4.11Å; F722-F784 HydrophobicContact CE1-CD2 4.04Å; F722-F784 AromaticContact CE1-CE2 3.47Å; F722-F784 HydrophobicContact CE1-CE2 3.47Å; F722-F784 VanDerWaalsContact CE1-CE2 3.47Å; F722-F784 AromaticContact CE1-CZ 3.96Å; F722-F784 HydrophobicContact CE1-CZ 3.96Å; F722-F784 AromaticContact CG-CD2 3.89Å; F722-F784 HydrophobicContact CG-CD2 3.89Å; F722-F784 HydrophobicContact CG-CE2 4.08Å; F722-F784 HydrophobicContact CZ-CE2 4.28Å; F722-N785 WeakPolarHBondContact O-CA 2.92Å; F722-N785 PolarHBondContact O-N 3.37Å
723N74.5Confident71.5Confident48 Ų4823.3 Ų23.326%0.25715%0.153SC..EExtended strand (participates in β ladder)trans-115.2103.9171.1-162.7-33.1000112.3F660 N661 Q662 G721 S725 N785F660-N723 PolarHBondContact O-N 3.07Å; N661-N723 WeakPolarHBondContact CA-O 3.14Å; Q662-N723 PolarHBondContact N-O 3.49Å; G721-N723 PolarHBondContact O-N 3.48Å; G721-N723 VanDerWaalsContact O-N 3.12Å; N723-S725 PolarHBondContact OD1-N 3.24Å; N723-N785 WeakPolarHBondContact CA-O 3.26Å
724Q73.6Confident71.7Confident0 Ų023.6 Ų23.60%016%0.156CC..EExtended strand (participates in β ladder)trans-107.394.1167.7-173.1-179.7103.900110.7F722 K726 N785 S787F722-Q724 HydrophobicContact CD1-CB 4.42Å; F722-Q724 HydrophobicContact CE1-CB 3.49Å; F722-Q724 VanDerWaalsContact CE1-CB 3.49Å; F722-Q724 HydrophobicContact CZ-CB 3.68Å; Q724-K726 HydrophobicContact CG-CD 4.25Å; Q724-K726 HydrophobicContact CG-CG 4.24Å; Q724-N785 PolarHBondContact N-O 3.13Å; Q724-S787 PolarHBondContact O-N 2.9Å
725S64.3Low72.1Confident39 Ų3923.5 Ų23.527%0.27316%0.156SC..EExtended strand (participates in β ladder)trans-100.2112174.359.40000111.1Q662 S663 K664 N723 S787Q662-S725 PolarHBondContact O-N 3.44Å; Q662-S725 VanDerWaalsContact O-N 3.11Å; S663-S725 WeakPolarHBondContact CA-O 3.07Å; K664-S725 PolarHBondContact N-O 3.12Å; N723-S725 PolarHBondContact OD1-N 3.24Å; S725-S787 WeakPolarHBondContact CA-O 3.02Å
726K61.3Low72.3Confident4 Ų423.7 Ų23.72%0.01716%0.159CC..EExtended strand (participates in β ladder)trans-122.9128.2179.4-69.4178.6-179.2151.50111.2K664 Y687 Q724 S787 S789K664-K726 HydrophobicContact CB-CG 4.31Å; K664-K726 WeakPolarHBondContact O-CA 2.83Å; Y687-K726 PolarHBondContact OH-NZ 3.38Å; Q724-K726 HydrophobicContact CG-CD 4.25Å; Q724-K726 HydrophobicContact CG-CG 4.24Å; K726-S787 PolarHBondContact N-O 3.33Å; K726-S789 PolarHBondContact O-N 3.41Å; K726-S789 PolarHBondContact O-OG 3.49Å
727S53.7Low72.6Confident60 Ų6023.6 Ų23.642%0.4216%0.159SC..SBendtrans-74.8-27.9175.430000113K664 S665 S789K664-S727 PolarHBondContact O-N 2.73Å; K664-S727 PolarHBondContact O-OG 3.12Å; S665-S727 WeakPolarHBondContact CA-OG 3.19Å; S665-S727 WeakPolarHBondContact O-CB 3.4Å; S665-S727 PolarHBondContact O-OG 2.92Å; S727-S789 WeakPolarHBondContact CA-OG 3.24Å; S727-S789 PolarHBondContact O-OG 3.3Å
728S64Low72.4Confident21 Ų2122.9 Ų22.915%0.14716%0.155CC..  trans-163.1137.2167.153.60000112.1S666 L667 S790S666-S728 WeakPolarHBondContact CA-O 3.5Å; S666-S728 WeakPolarHBondContact CB-OG 3.03Å; L667-S728 PolarHBondContact N-O 3.12Å; S728-S790 WeakPolarHBondContact CB-OG 3.33Å
729L69.4Low72.1Confident0 Ų027.1 Ų27.10%018%0.181CC..EExtended strand (participates in β ladder)trans-112.9104.3165.5173.854.6000108.3L667 V731 Y749 S790 L791 N792L667-L729 HydrophobicContact CB-CD1 3.81Å; L667-L729 HydrophobicContact CD2-CD1 3.56Å; L667-L729 HydrophobicContact CG-CD1 3.55Å; L729-V731 HydrophobicContact CD1-CG2 3.5Å; L729-V731 HydrophobicContact CG-CG2 3.92Å; L729-Y749 HydrophobicContact CD2-CD2 4.41Å; L729-Y749 HydrophobicContact CD2-CE2 3.61Å; L729-S790 PolarHBondContact N-O 2.9Å; L729-L791 HydrophobicContact CB-CD1 3.92Å; L729-L791 HydrophobicContact CD2-CD1 3.5Å; L729-L791 VanDerWaalsContact CD2-CD1 3.5Å; L729-L791 HydrophobicContact CG-CD1 3.7Å; L729-N792 PolarHBondContact O-N 2.92Å
730N72.1Confident71.6Confident51 Ų5124.7 Ų24.727%0.27317%0.166SC..EExtended strand (participates in β ladder)trans-107.8109.2176.9-59.2-58.7000109.1L667 N668 V669 N792L667-N730 PolarHBondContact O-N 2.94Å; N668-N730 CarbonylContact C-O 3.59Å; N668-N730 WeakPolarHBondContact CA-O 3.24Å; N668-N730 WeakPolarHBondContact OD1-CB 3.48Å; N668-N730 PolarHBondContact OD1-ND2 2.84Å; V669-N730 PolarHBondContact N-O 2.8Å; N730-N792 CarbonylContact C-O 3.55Å; N730-N792 WeakPolarHBondContact CA-O 3.31Å; N730-N792 WeakPolarHBondContact OD1-CB 3.39Å
731V72Confident71.5Confident5 Ų527 Ų273%0.0318%0.182CC..EExtended strand (participates in β ladder)trans-117.4113.5178-175.20000108.6V669 F685 L729 V733 F747 N792 V793 A794V669-V731 HydrophobicContact CB-CG1 4.46Å; V669-V731 HydrophobicContact CB-CG2 4.48Å; V669-V731 CarbonylContact O-C 3.59Å; V669-V731 WeakPolarHBondContact O-CA 3.4Å; F685-V731 HydrophobicContact CE1-CG1 3.89Å; F685-V731 HydrophobicContact CE2-CG1 3.84Å; F685-V731 HydrophobicContact CZ-CG1 3.45Å; F685-V731 VanDerWaalsContact CZ-CG1 3.45Å; F685-V731 HydrophobicContact CZ-CG2 4.42Å; L729-V731 HydrophobicContact CD1-CG2 3.5Å; L729-V731 HydrophobicContact CG-CG2 3.92Å; V731-V733 HydrophobicContact CG1-CG2 3.86Å; V731-F747 HydrophobicContact CG1-CE2 3.74Å; V731-F747 HydrophobicContact CG1-CZ 4.3Å; V731-N792 PolarHBondContact N-O 2.91Å; V731-V793 HydrophobicContact CB-CG2 4.39Å; V731-V793 CarbonylContact O-C 3.58Å; V731-V793 WeakPolarHBondContact O-CA 3.45Å; V731-A794 PolarHBondContact O-N 2.85Å
732A74.5Confident71.6Confident48 Ų4828 Ų2840%0.39718%0.184SC..EExtended strand (participates in β ladder)trans-111.4108.5175.300000108.9V669 A670 V671 A794V669-A732 PolarHBondContact O-N 3.08Å; A670-A732 CarbonylContact C-O 3.6Å; A670-A732 WeakPolarHBondContact CA-O 3.37Å; V671-A732 PolarHBondContact N-O 3.27Å; A732-A794 WeakPolarHBondContact CA-O 3.31Å
733V77.5Confident71.8Confident2 Ų228 Ų281%0.01218%0.184CC..EExtended strand (participates in β ladder)trans-111.2121.7175.5-173.90000108.1V671 F685 V731 F747 A794 V795 S796V671-V733 WeakPolarHBondContact O-CA 3.31Å; F685-V733 HydrophobicContact CB-CG2 4.33Å; F685-V733 HydrophobicContact CD2-CG2 3.75Å; F685-V733 HydrophobicContact CE2-CG2 4.22Å; F685-V733 HydrophobicContact CG-CG2 3.99Å; V731-V733 HydrophobicContact CG1-CG2 3.86Å; V733-F747 HydrophobicContact CG2-CD2 4.03Å; V733-F747 HydrophobicContact CG2-CE2 4.11Å; V733-A794 PolarHBondContact N-O 2.84Å; V733-V795 HydrophobicContact CB-CG2 4.45Å; V733-V795 CarbonylContact O-C 3.59Å; V733-V795 WeakPolarHBondContact O-CA 3.48Å; V733-S796 PolarHBondContact O-N 2.95Å; V733-S796 PolarHBondContact O-OG 3.32Å
734S81.3Confident72.1Confident46 Ų4628.2 Ų28.232%0.32219%0.185SC..EExtended strand (participates in β ladder)trans-127.6132.5178.659.10000110.9V671 S672 A673 Q683 S796V671-S734 PolarHBondContact O-N 3.46Å; V671-S734 PolarHBondContact O-OG 2.98Å; S672-S734 WeakPolarHBondContact CA-O 3.44Å; S672-S734 WeakPolarHBondContact CB-OG 3.35Å; A673-S734 PolarHBondContact N-O 3Å; Q683-S734 PolarHBondContact NE2-O 3.4Å; Q683-S734 VanDerWaalsContact NE2-O 3.14Å; S734-S796 WeakPolarHBondContact CA-O 3.23Å; S734-S796 WeakPolarHBondContact CB-OG 3.35Å
735A79.9Confident72.4Confident4 Ų428.4 Ų28.43%0.03319%0.186CC..EExtended strand (participates in β ladder)trans-134.6135.5174.300000110.2A673 F681 F743 S796 A797 S798A673-A735 WeakPolarHBondContact O-CA 3.44Å; F681-A735 HydrophobicContact CE1-CB 3.37Å; F681-A735 HydrophobicContact CZ-CB 3.41Å; F681-A735 VanDerWaalsContact CZ-CB 3.41Å; A735-F743 HydrophobicContact CB-CE2 3.76Å; A735-F743 HydrophobicContact CB-CZ 3.54Å; A735-S796 PolarHBondContact N-O 2.91Å; A735-A797 WeakPolarHBondContact O-CA 3.45Å; A735-S798 PolarHBondContact O-N 2.96Å
736S79Confident72.8Confident39 Ų3928 Ų2827%0.27319%0.188SC..EExtended strand (participates in β ladder)trans-134.9120.8177.9-178.50000110.6A673 N675A673-S736 PolarHBondContact O-N 2.72Å; A673-S736 VanDerWaalsContact O-N 3.1Å; N675-S736 PolarHBondContact N-O 2.85Å
737N78Confident73.6Confident0 Ų027.9 Ų27.90%019%0.187CC..  trans-139.579.4170.6-173.70.1000109.2N675 G678 F681 V739 G740 F743 S798 N799N675-N737 WeakPolarHBondContact O-CA 3.36Å; N675-N737 VanDerWaalsContact O-CG 3.28Å; N675-N737 PolarHBondContact O-OD1 2.96Å; G678-N737 PolarHBondContact O-ND2 2.9Å; G678-N737 PolarHBondContact O-OD1 3.35Å; F681-N737 HydrophobicContact CB-CB 4.19Å; F681-N737 WeakPolarHBondContact CB-ND2 3.33Å; F681-N737 HydrophobicContact CD2-CB 4.41Å; F681-N737 HydrophobicContact CG-CB 4.29Å; N737-V739 VanDerWaalsContact C-N 3.27Å; N737-V739 PolarHBondContact O-N 3.28Å; N737-G740 WeakPolarHBondContact ND2-CA 3.35Å; N737-G740 VanDerWaalsContact OD1-CA 3.27Å; N737-G740 WeakPolarHBondContact OD1-CA 3.42Å; N737-G740 PolarHBondContact OD1-N 3.29Å; N737-F743 HydrophobicContact CB-CD2 3.72Å; N737-F743 HydrophobicContact CB-CE2 4.21Å; N737-S798 CarbonylContact C-O 3.55Å; N737-S798 PolarHBondContact N-O 3.18Å; N737-N799 WeakPolarHBondContact O-CA 3.36Å; N737-N799 VanDerWaalsContact O-CG 3.31Å; N737-N799 PolarHBondContact O-OD1 2.89Å
738P70.7Confident74.7Confident37 Ų3727.8 Ų27.824%0.2418%0.184CC..SBendtrans-65.3-24.2-171.6-21.335.5000115.2P676 P800 V801P676-P738 WeakPolarHBondContact O-CD 3.36Å; P738-P800 HydrophobicContact CB-CG 3.9Å; P738-V801 VanDerWaalsContact O-CB 3.3Å; P738-V801 WeakPolarHBondContact O-CB 2.94Å; P738-V801 WeakPolarHBondContact O-CG2 3.34Å; P738-V801 PolarHBondContact O-N 2.89Å
739V69.1Low75.4Confident90 Ų9026.9 Ų26.955%0.54518%0.178SC..SBendtrans-122.30.3-170.1-1600000112.8P676 N737P676-V739 WeakPolarHBondContact O-CB 3.37Å; P676-V739 VanDerWaalsContact O-CG2 3.28Å; P676-V739 WeakPolarHBondContact O-CG2 3.41Å; P676-V739 PolarHBondContact O-N 2.77Å; N737-V739 VanDerWaalsContact C-N 3.27Å; N737-V739 PolarHBondContact O-N 3.28Å
740G64.5Low75.8Confident1 Ų127.9 Ų27.91%0.0119%0.188CC..  trans-84.1144.9-17200000116.4G678 N737 N799 G802G678-G740 WeakPolarHBondContact O-CA 3.38Å; N737-G740 WeakPolarHBondContact ND2-CA 3.35Å; N737-G740 VanDerWaalsContact OD1-CA 3.27Å; N737-G740 WeakPolarHBondContact OD1-CA 3.42Å; N737-G740 PolarHBondContact OD1-N 3.29Å; G740-N799 PolarHBondContact O-ND2 3.11Å; G740-N799 PolarHBondContact O-OD1 3.07Å; G740-G802 WeakPolarHBondContact O-CA 3.42Å
741S71.7Confident76.1Confident49 Ų4925.5 Ų25.534%0.34318%0.175SC..SBendtrans-65.9-39.9-179.241.10000113.8S679 S803 T804S679-S741 PolarHBondContact O-N 3.1Å; S679-S741 PolarHBondContact O-OG 3.27Å; S741-S803 PolarHBondContact O-N 3.25Å; S741-S803 PolarHBondContact O-OG 3.15Å; S741-T804 PolarHBondContact O-N 3.15Å; S741-T804 PolarHBondContact O-OG1 3.1Å
742T75.6Confident76.5Confident45 Ų4527.4 Ų27.428%0.27619%0.187SC..EExtended strand (participates in β ladder)trans-129.7117.8-172-31.20000110.2S679 F681S679-T742 PolarHBondContact O-N 3.29Å; F681-T742 PolarHBondContact N-O 3.03Å
743F81.9Confident76.8Confident0 Ų025.1 Ų25.10%017%0.168CC..EExtended strand (participates in β ladder)trans-125.9118.6179.2-179.8-83.7000110.4F681 A735 N737 Q745 A797 N799 T804 F805 N806F681-F743 HydrophobicContact CB-CD2 4.19Å; F681-F743 AromaticContact CD1-CD2 3.52Å; F681-F743 HydrophobicContact CD1-CD2 3.52Å; F681-F743 AromaticContact CD1-CE2 3.48Å; F681-F743 HydrophobicContact CD1-CE2 3.48Å; F681-F743 VanDerWaalsContact CD1-CE2 3.48Å; F681-F743 HydrophobicContact CD1-CG 4.38Å; F681-F743 HydrophobicContact CD1-CZ 4.26Å; F681-F743 HydrophobicContact CE1-CD2 4.15Å; F681-F743 AromaticContact CE1-CE2 3.61Å; F681-F743 HydrophobicContact CE1-CE2 3.61Å; F681-F743 HydrophobicContact CE1-CZ 4.15Å; F681-F743 HydrophobicContact CG-CD2 4.01Å; F681-F743 HydrophobicContact CG-CE2 4.22Å; F681-F743 HydrophobicContact CZ-CE2 4.39Å; A735-F743 HydrophobicContact CB-CE2 3.76Å; A735-F743 HydrophobicContact CB-CZ 3.54Å; N737-F743 HydrophobicContact CB-CD2 3.72Å; N737-F743 HydrophobicContact CB-CE2 4.21Å; F743-Q745 HydrophobicContact CE1-CB 3.68Å; F743-Q745 HydrophobicContact CZ-CB 4.04Å; F743-A797 HydrophobicContact CE1-CB 3.42Å; F743-A797 VanDerWaalsContact CE1-CB 3.42Å; F743-A797 HydrophobicContact CZ-CB 3.42Å; F743-A797 VanDerWaalsContact CZ-CB 3.42Å; F743-N799 HydrophobicContact CB-CB 4.24Å; F743-N799 WeakPolarHBondContact CB-ND2 3.38Å; F743-N799 HydrophobicContact CD2-CB 4.46Å; F743-N799 HydrophobicContact CG-CB 4.26Å; F743-T804 PolarHBondContact N-O 3.42Å; F743-F805 HydrophobicContact CB-CD2 4.31Å; F743-F805 AromaticContact CD1-CD2 3.41Å; F743-F805 HydrophobicContact CD1-CD2 3.41Å; F743-F805 VanDerWaalsContact CD1-CD2 3.41Å; F743-F805 AromaticContact CD1-CE2 3.51Å; F743-F805 HydrophobicContact CD1-CE2 3.51Å; F743-F805 HydrophobicContact CD1-CG 4.39Å; F743-F805 AromaticContact CE1-CD2 3.98Å; F743-F805 HydrophobicContact CE1-CD2 3.98Å; F743-F805 AromaticContact CE1-CE2 3.54Å; F743-F805 HydrophobicContact CE1-CE2 3.54Å; F743-F805 HydrophobicContact CE1-CZ 4.32Å; F743-F805 HydrophobicContact CG-CD2 4.04Å; F743-F805 HydrophobicContact CG-CE2 4.36Å; F743-F805 HydrophobicContact CZ-CE2 4.38Å; F743-N806 PolarHBondContact O-N 3.1Å
744N80.2Confident77Confident52 Ų5227 Ų2728%0.27818%0.18SC..EExtended strand (participates in β ladder)trans-122.7121.4173-57.7-54.2000109.8F681 N682 Q683 N806F681-N744 PolarHBondContact O-N 2.8Å; N682-N744 WeakPolarHBondContact CA-O 3.42Å; N682-N744 PolarHBondContact OD1-ND2 2.85Å; Q683-N744 PolarHBondContact N-O 3.44Å; N744-N806 WeakPolarHBondContact CA-O 3.33Å; N744-N806 WeakPolarHBondContact OD1-CB 3.39Å; N744-N806 PolarHBondContact OD1-ND2 3.13Å
745Q80Confident76.6Confident4 Ų425.5 Ų25.52%0.01917%0.17CC..EExtended strand (participates in β ladder)trans-123117169.7-178-174.76200109Q683 F743 V795 S796 N806 Q807 G808Q683-Q745 CarbonylContact O-C 3.42Å; Q683-Q745 WeakPolarHBondContact O-CA 3.26Å; F743-Q745 HydrophobicContact CE1-CB 3.68Å; F743-Q745 HydrophobicContact CZ-CB 4.04Å; Q745-V795 HydrophobicContact CG-CG1 4.48Å; Q745-S796 PolarHBondContact NE2-O 2.92Å; Q745-S796 VanDerWaalsContact NE2-O 3.1Å; Q745-N806 PolarHBondContact N-O 3.33Å; Q745-Q807 CarbonylContact O-C 3.59Å; Q745-Q807 WeakPolarHBondContact O-CA 3.4Å; Q745-G808 PolarHBondContact O-N 3.09Å
746G72.1Confident76.4Confident30 Ų3025.3 Ų25.331%0.30917%0.168SC..EExtended strand (participates in β ladder)trans-109.7130.9175.900000111.2Q683 F685Q683-G746 PolarHBondContact O-N 3.32Å; F685-G746 PolarHBondContact N-O 3.25Å
747F78.5Confident76.4Confident2 Ų226.7 Ų26.71%0.00917%0.173CC..EExtended strand (participates in β ladder)trans-124.1119.8171.3-176.5-83.7000109.2F685 V731 V733 V793 V795 G808 F809 T810F685-F747 HydrophobicContact CB-CD2 4.03Å; F685-F747 AromaticContact CD1-CD2 3.45Å; F685-F747 HydrophobicContact CD1-CD2 3.45Å; F685-F747 VanDerWaalsContact CD1-CD2 3.45Å; F685-F747 AromaticContact CD1-CE2 3.26Å; F685-F747 HydrophobicContact CD1-CE2 3.26Å; F685-F747 HydrophobicContact CD1-CG 4.32Å; F685-F747 HydrophobicContact CD1-CZ 4Å; F685-F747 HydrophobicContact CE1-CD2 4.16Å; F685-F747 AromaticContact CE1-CE2 3.48Å; F685-F747 HydrophobicContact CE1-CE2 3.48Å; F685-F747 VanDerWaalsContact CE1-CE2 3.48Å; F685-F747 AromaticContact CE1-CZ 3.95Å; F685-F747 HydrophobicContact CE1-CZ 3.95Å; F685-F747 AromaticContact CG-CD2 3.88Å; F685-F747 HydrophobicContact CG-CD2 3.88Å; F685-F747 AromaticContact CG-CE2 3.99Å; F685-F747 HydrophobicContact CG-CE2 3.99Å; F685-F747 HydrophobicContact CZ-CE2 4.34Å; F685-F747 CarbonylContact O-C 3.57Å; F685-F747 WeakPolarHBondContact O-CA 3.28Å; V731-F747 HydrophobicContact CG1-CE2 3.74Å; V731-F747 HydrophobicContact CG1-CZ 4.3Å; V733-F747 HydrophobicContact CG2-CD2 4.03Å; V733-F747 HydrophobicContact CG2-CE2 4.11Å; F747-V793 HydrophobicContact CE1-CG1 3.9Å; F747-V793 HydrophobicContact CE2-CG1 3.86Å; F747-V793 HydrophobicContact CZ-CG1 3.48Å; F747-V793 VanDerWaalsContact CZ-CG1 3.48Å; F747-V793 HydrophobicContact CZ-CG2 4.26Å; F747-V795 HydrophobicContact CB-CG2 4.28Å; F747-V795 HydrophobicContact CD2-CG2 3.73Å; F747-V795 HydrophobicContact CE2-CG2 4.21Å; F747-V795 HydrophobicContact CG-CG2 3.96Å; F747-G808 PolarHBondContact N-O 2.57Å; F747-F809 HydrophobicContact CB-CD2 4.04Å; F747-F809 AromaticContact CD1-CD2 3.43Å; F747-F809 HydrophobicContact CD1-CD2 3.43Å; F747-F809 VanDerWaalsContact CD1-CD2 3.43Å; F747-F809 AromaticContact CD1-CE2 3.26Å; F747-F809 HydrophobicContact CD1-CE2 3.26Å; F747-F809 HydrophobicContact CD1-CG 4.35Å; F747-F809 HydrophobicContact CD1-CZ 4.07Å; F747-F809 HydrophobicContact CE1-CD2 4.16Å; F747-F809 AromaticContact CE1-CE2 3.5Å; F747-F809 HydrophobicContact CE1-CE2 3.5Å; F747-F809 HydrophobicContact CE1-CZ 4.04Å; F747-F809 AromaticContact CG-CD2 3.94Å; F747-F809 HydrophobicContact CG-CD2 3.94Å; F747-F809 HydrophobicContact CG-CE2 4.06Å; F747-F809 HydrophobicContact CZ-CE2 4.45Å; F747-F809 CarbonylContact O-C 3.59Å; F747-F809 WeakPolarHBondContact O-CA 3.17Å; F747-T810 PolarHBondContact O-N 3.01Å
748T77.7Confident76.4Confident57 Ų5726.7 Ų26.735%0.3517%0.173SC..EExtended strand (participates in β ladder)trans-123.5123.4177.1-55.50000109.3F685 T686 Y687 T810F685-T748 PolarHBondContact O-N 2.86Å; T686-T748 WeakPolarHBondContact CA-O 3.44Å; Y687-T748 PolarHBondContact N-O 3.46Å; T748-T810 WeakPolarHBondContact CA-O 3.36Å
749Y78.4Confident76.9Confident3 Ų326.2 Ų26.21%0.01217%0.17CC..EExtended strand (participates in β ladder)trans-117.6119.3169.6-179.4-80.2000108.2Y687 L729 V751 K788 T810 Y811 G812Y687-Y749 AromaticContact CD1-CD2 3.44Å; Y687-Y749 HydrophobicContact CD1-CD2 3.44Å; Y687-Y749 VanDerWaalsContact CD1-CD2 3.44Å; Y687-Y749 AromaticContact CD1-CE2 3.25Å; Y687-Y749 HydrophobicContact CD1-CE2 3.25Å; Y687-Y749 HydrophobicContact CD1-CG 4.27Å; Y687-Y749 AromaticContact CD1-CZ 3.92Å; Y687-Y749 HydrophobicContact CE1-CD2 4.19Å; Y687-Y749 AromaticContact CE1-CE2 3.51Å; Y687-Y749 HydrophobicContact CE1-CE2 3.51Å; Y687-Y749 AromaticContact CE1-CZ 3.9Å; Y687-Y749 AromaticContact CG-CD2 3.88Å; Y687-Y749 HydrophobicContact CG-CD2 3.88Å; Y687-Y749 AromaticContact CG-CE2 3.96Å; Y687-Y749 HydrophobicContact CG-CE2 3.96Å; L729-Y749 HydrophobicContact CD2-CD2 4.41Å; L729-Y749 HydrophobicContact CD2-CE2 3.61Å; Y749-V751 HydrophobicContact CE1-CG2 3.73Å; Y749-V751 VanDerWaalsContact OH-CG2 3.31Å; Y749-V751 WeakPolarHBondContact OH-CG2 3.39Å; Y749-K788 WeakPolarHBondContact OH-CE 3.48Å; Y749-K788 PolarHBondContact OH-NZ 2.86Å; Y749-T810 PolarHBondContact N-O 3.26Å; Y749-Y811 AromaticContact CD1-CD2 3.43Å; Y749-Y811 HydrophobicContact CD1-CD2 3.43Å; Y749-Y811 VanDerWaalsContact CD1-CD2 3.43Å; Y749-Y811 AromaticContact CD1-CE2 3.29Å; Y749-Y811 HydrophobicContact CD1-CE2 3.29Å; Y749-Y811 HydrophobicContact CD1-CG 4.33Å; Y749-Y811 HydrophobicContact CE1-CD2 4.21Å; Y749-Y811 AromaticContact CE1-CE2 3.58Å; Y749-Y811 HydrophobicContact CE1-CE2 3.58Å; Y749-Y811 AromaticContact CG-CD2 3.88Å; Y749-Y811 HydrophobicContact CG-CD2 3.88Å; Y749-Y811 HydrophobicContact CG-CE2 4Å; Y749-Y811 WeakPolarHBondContact O-CA 3.45Å; Y749-G812 PolarHBondContact O-N 2.9Å
750G76.7Confident77.3Confident21 Ų2122 Ų2222%0.21614%0.144CC..EExtended strand (participates in β ladder)trans-128133.2177.100000110.9Y687 G688 V689 G812Y687-G750 PolarHBondContact O-N 2.84Å; G688-G750 WeakPolarHBondContact CA-O 3.42Å; V689-G750 PolarHBondContact N-O 3.01Å; V689-G750 VanDerWaalsContact N-O 3.11Å; G750-G812 WeakPolarHBondContact CA-O 3.39Å
751V78.3Confident78Confident0 Ų024.2 Ų24.20%016%0.156CC..EExtended strand (participates in β ladder)trans-125.6127158.9177.70000106.5V689 F722 Y749 F784 G812 V813 T814V689-V751 HydrophobicContact CB-CG2 4.38Å; V689-V751 CarbonylContact O-C 3.44Å; V689-V751 VanDerWaalsContact O-CA 3.3Å; V689-V751 WeakPolarHBondContact O-CA 3.34Å; F722-V751 HydrophobicContact CE1-CG1 3.97Å; F722-V751 HydrophobicContact CE2-CG1 4.12Å; F722-V751 HydrophobicContact CZ-CG1 3.44Å; F722-V751 VanDerWaalsContact CZ-CG1 3.44Å; Y749-V751 HydrophobicContact CE1-CG2 3.73Å; Y749-V751 VanDerWaalsContact OH-CG2 3.31Å; Y749-V751 WeakPolarHBondContact OH-CG2 3.39Å; V751-F784 HydrophobicContact CG1-CE2 4.13Å; V751-F784 HydrophobicContact CG1-CZ 4.38Å; V751-G812 PolarHBondContact N-O 3.2Å; V751-G812 VanDerWaalsContact N-O 3.07Å; V751-V813 HydrophobicContact CB-CG2 4.45Å; V751-V813 CarbonylContact O-C 3.53Å; V751-V813 VanDerWaalsContact O-CA 3.29Å; V751-V813 WeakPolarHBondContact O-CA 3.41Å; V751-T814 PolarHBondContact O-N 2.87Å
752T81.3Confident78.1Confident45 Ų4522.1 Ų22.128%0.27614%0.142SC..EExtended strand (participates in β ladder)trans-122.5126.7175.9-59.30000107.2V689 T690 D691 T754 T814V689-T752 PolarHBondContact O-N 2.9Å; T690-T752 WeakPolarHBondContact CA-O 3.33Å; D691-T752 PolarHBondContact N-O 2.71Å; T752-T754 HydrophobicContact CG2-CG2 4.04Å; T752-T814 WeakPolarHBondContact CA-O 3.07Å
753D80.4Confident78.4Confident0 Ų023 Ų230%015%0.147CC..EExtended strand (participates in β ladder)trans-115.6129.8164.9-17115.4000106.4F722 F784 T814F722-D753 HydrophobicContact CB-CB 4.43Å; F722-D753 WeakPolarHBondContact CB-OD2 3.3Å; F722-D753 HydrophobicContact CG-CB 4.44Å; D753-F784 HydrophobicContact CB-CD2 3.58Å; D753-F784 HydrophobicContact CB-CE2 3.95Å; D753-F784 VanDerWaalsContact OD2-CD2 3.3Å; D753-F784 WeakPolarHBondContact OD2-CD2 3.44Å; D753-T814 PolarHBondContact N-O 3.35Å
754T81Confident78Confident43 Ų4323.2 Ų23.226%0.26415%0.148SC..EExtended strand (participates in β ladder)trans-111.6134.9173.466.50000108D691 T692 A693 T752 T816D691-T754 PolarHBondContact O-N 2.88Å; T692-T754 WeakPolarHBondContact CA-OG1 3.29Å; T692-T754 HydrophobicContact CG2-CG2 4.46Å; A693-T754 WeakPolarHBondContact CB-O 3.42Å; A693-T754 PolarHBondContact N-O 3.4Å; A693-T754 VanDerWaalsContact N-O 3.1Å; A693-T754 PolarHBondContact N-OG1 2.9Å; T752-T754 HydrophobicContact CG2-CG2 4.04Å; T754-T816 VanDerWaalsContact CA-OG1 3.3Å; T754-T816 WeakPolarHBondContact CA-OG1 3.33Å
755A73.1Confident77.8Confident14 Ų1423.3 Ų23.312%0.11615%0.151CC..PPolyproline II helixtrans-85.4161.1-176.300000113.1D782 T816 A817 P818A755-D782 VanDerWaalsContact CB-OD2 3.31Å; A755-D782 WeakPolarHBondContact CB-OD2 3.12Å; A755-T816 WeakPolarHBondContact CB-O 3.09Å; A755-T816 PolarHBondContact N-OG1 3.22Å; A755-A817 VanDerWaalsContact CB-C 3.5Å; A755-P818 HydrophobicContact CB-CB 4.16Å; A755-P818 HydrophobicContact CB-CG 3.84Å; A755-P818 VanDerWaalsContact CB-N 3.33Å
756P75.2Confident77.3Confident0 Ų023.2 Ų23.20%015%0.15CC..PPolyproline II helixtrans-61.8135.2179.8-1927.2000112.7A693 P694 D720 V758 D819A693-P756 HydrophobicContact CB-CB 4.23Å; A693-P756 HydrophobicContact CB-CG 3.79Å; P694-P756 WeakPolarHBondContact O-CA 3.25Å; D720-P756 HydrophobicContact CB-CG 3.82Å; P756-V758 HydrophobicContact CB-CG2 4.11Å; P756-D819 PolarHBondContact O-N 2.96Å
757D79.7Confident77.1Confident68 Ų6823.7 Ų23.736%0.36415%0.149SC..EExtended strand (participates in β ladder)trans-93.1119.6161.6-171.3-10.8000109.3D695 V696D695-D757 WeakPolarHBondContact CA-O 3.28Å; D695-D757 VanDerWaalsContact OD1-CB 3.31Å; D695-D757 WeakPolarHBondContact OD1-CB 3.2Å; V696-D757 PolarHBondContact N-O 3.42Å
758V77.5Confident76.3Confident0 Ų026.5 Ų26.50%017%0.172CC..EExtended strand (participates in β ladder)trans-121.5118-176.4-174.30000111.4V696 T716 T718 P756 T778 T780 D819 V820 S821V696-V758 HydrophobicContact CB-CG2 4.37Å; V696-V758 WeakPolarHBondContact O-CA 3.45Å; T716-V758 HydrophobicContact CG2-CG1 3.74Å; T718-V758 HydrophobicContact CG2-CG1 4.46Å; T718-V758 HydrophobicContact CG2-CG2 3.59Å; T718-V758 WeakPolarHBondContact OG1-CG2 3.43Å; P756-V758 HydrophobicContact CB-CG2 4.11Å; V758-T778 HydrophobicContact CG1-CG2 3.78Å; V758-T780 HydrophobicContact CB-CG2 3.91Å; V758-T780 HydrophobicContact CG1-CG2 4.27Å; V758-T780 HydrophobicContact CG2-CG2 3.53Å; V758-D819 PolarHBondContact N-O 3.3Å; V758-V820 HydrophobicContact CB-CG1 4.44Å; V758-V820 HydrophobicContact CB-CG2 4.44Å; V758-V820 CarbonylContact O-C 3.53Å; V758-V820 WeakPolarHBondContact O-CA 3.38Å; V758-S821 PolarHBondContact O-N 3.3Å
759S82.1Confident75.5Confident26 Ų2623.8 Ų23.818%0.18216%0.156CC..EExtended strand (participates in β ladder)trans-116.4126.2173.966.80000112V696 S697 T698 S821V696-S759 PolarHBondContact O-N 3.21Å; S697-S759 WeakPolarHBondContact CA-O 3.46Å; S697-S759 WeakPolarHBondContact CB-OG 3.26Å; T698-S759 PolarHBondContact N-O 2.92Å; S759-S821 WeakPolarHBondContact CA-O 3.25Å; S759-S821 WeakPolarHBondContact CB-OG 3.1Å
760T77Confident74.9Confident1 Ų126.4 Ų26.41%0.00617%0.172CC..EExtended strand (participates in β ladder)trans-122.2106.7174.3-49.60000109.3T698 T714 T776 T778 S821 T822 N823T698-T760 WeakPolarHBondContact O-CA 3.4Å; T714-T760 HydrophobicContact CG2-CG2 3.82Å; T760-T776 HydrophobicContact CG2-CG2 3.86Å; T760-T778 PolarHBondContact OG1-OG1 2.68Å; T760-S821 PolarHBondContact N-O 3.35Å; T760-T822 CarbonylContact O-C 3.54Å; T760-T822 WeakPolarHBondContact O-CA 3.44Å; T760-N823 PolarHBondContact O-N 3.21Å
761N79.6Confident74.6Confident49 Ų4928 Ų2826%0.26218%0.176SC..EExtended strand (participates in β ladder)trans-115.5127.8-178.9-55.3-59.1000111.3T698 N699 S700 N823T698-N761 PolarHBondContact O-N 3.26Å; N699-N761 CarbonylContact C-O 3.51Å; N699-N761 WeakPolarHBondContact CA-O 3.49Å; N699-N761 WeakPolarHBondContact OD1-CB 3.34Å; N699-N761 PolarHBondContact OD1-ND2 2.93Å; S700-N761 PolarHBondContact N-O 2.85Å; N761-N823 CarbonylContact C-O 3.55Å; N761-N823 VanDerWaalsContact CA-O 3.3Å; N761-N823 WeakPolarHBondContact CA-O 3.12Å; N761-N823 WeakPolarHBondContact OD1-CB 3.4Å; N761-N823 PolarHBondContact OD1-ND2 3.36Å
762S74.7Confident74.5Confident5 Ų528.1 Ų28.14%0.03518%0.176CC..EExtended strand (participates in β ladder)trans-130.2124.7178.1-700000111.5S700 N823 S824 T825S700-S762 CarbonylContact O-C 3.51Å; S700-S762 WeakPolarHBondContact O-CA 3.48Å; S762-N823 PolarHBondContact N-O 2.88Å; S762-S824 CarbonylContact O-C 3.56Å; S762-S824 WeakPolarHBondContact O-CA 3.2Å; S762-T825 PolarHBondContact O-N 2.93Å
763T80.3Confident74.3Confident62 Ų6228.3 Ų28.338%0.3818%0.177SC..EExtended strand (participates in β ladder)trans-113.6108.9169.7-58.90000108.8S700 T701 I702 T825S700-T763 PolarHBondContact O-N 3.34Å; T701-T763 WeakPolarHBondContact CA-O 3.2Å; I702-T763 PolarHBondContact N-O 2.71Å; T763-T825 WeakPolarHBondContact CA-O 3.32Å
764I75Confident74Confident6 Ų628.4 Ų28.43%0.03118%0.178CC..EExtended strand (participates in β ladder)trans-117.6121.8-175.5-57.2175.4000109.5I702 F710 T712 F772 T774 T825 I826 T827I702-I764 HydrophobicContact CB-CG1 4.44Å; I702-I764 WeakPolarHBondContact O-CA 3.29Å; F710-I764 HydrophobicContact CE1-CG2 3.64Å; F710-I764 HydrophobicContact CZ-CG2 3.47Å; F710-I764 VanDerWaalsContact CZ-CG2 3.47Å; T712-I764 HydrophobicContact CG2-CD1 4.4Å; I764-F772 HydrophobicContact CG2-CE2 4.02Å; I764-F772 HydrophobicContact CG2-CZ 3.94Å; I764-T774 HydrophobicContact CD1-CG2 3.84Å; I764-T825 PolarHBondContact N-O 3.23Å; I764-I826 HydrophobicContact CB-CG1 4.45Å; I764-I826 CarbonylContact O-C 3.53Å; I764-I826 WeakPolarHBondContact O-CA 3.49Å; I764-T827 PolarHBondContact O-N 3.11Å
765T76Confident74Confident54 Ų5428.2 Ų28.233%0.33118%0.177SC..EExtended strand (participates in β ladder)trans-117.9113.9171.6-57.50000109.7I702 T703 A704 T827I702-T765 PolarHBondContact O-N 3.37Å; T703-T765 WeakPolarHBondContact CA-O 3.45Å; A704-T765 PolarHBondContact N-O 2.94Å; T765-T827 WeakPolarHBondContact CA-O 3.32Å
766A69Low74Confident1 Ų127.9 Ų27.91%0.00817%0.173CC..EExtended strand (participates in β ladder)trans-123.4130.617800000110.9A704 F710 F772 T827 A828 S829A704-A766 WeakPolarHBondContact O-CA 3.5Å; F710-A766 HydrophobicContact CD2-CB 4.5Å; A766-F772 HydrophobicContact CB-CD2 3.96Å; A766-F772 HydrophobicContact CB-CE2 3.7Å; A766-T827 PolarHBondContact N-O 2.84Å; A766-A828 VanDerWaalsContact O-CA 3.3Å; A766-A828 WeakPolarHBondContact O-CA 3.46Å; A766-S829 PolarHBondContact O-N 2.74Å
767S66.9Low74.1Confident40 Ų4029.6 Ų29.628%0.2818%0.184SC..EExtended strand (participates in β ladder)trans-124.2136.8179.648.60000112.3A704 A706 S829A704-S767 PolarHBondContact O-N 2.76Å; A706-S767 WeakPolarHBondContact CA-O 3.45Å; A706-S767 PolarHBondContact N-O 2.99Å; S767-S829 WeakPolarHBondContact CA-OG 2.94Å; S767-S829 WeakPolarHBondContact CB-OG 3.47Å
768A62.6Low73.8Confident61 Ų6126.3 Ų26.350%0.50417%0.166SC..EExtended strand (participates in β ladder)trans59.157.7-178.400000113.8T707 S829T707-A768 PolarHBondContact N-O 3.36Å; A768-S829 PolarHBondContact N-O 2.92Å
769T60.5Low73.8Confident0 Ų028.2 Ų28.20%018%0.178CC..EExtended strand (participates in β ladder)trans-111.5137.1-174.6-400000112.8T707 F710 F772 A830 T831T707-T769 WeakPolarHBondContact O-CA 3.36Å; T707-T769 WeakPolarHBondContact O-CB 3.29Å; T707-T769 WeakPolarHBondContact O-CG2 3.48Å; F710-T769 HydrophobicContact CB-CG2 3.67Å; T769-F772 HydrophobicContact CG2-CB 4.45Å; T769-A830 CarbonylContact O-C 3.51Å; T769-T831 WeakPolarHBondContact O-CA 3.4Å; T769-T831 VanDerWaalsContact O-CG2 3.3Å; T769-T831 WeakPolarHBondContact O-CG2 3.05Å
770T65.2Low73.5Confident59 Ų5927 Ų2736%0.36217%0.17SC..EExtended strand (participates in β ladder)trans-87.3-46.2176.747.10000113.2T708 T832 N833T708-T770 PolarHBondContact O-N 3.31Å; T708-T770 VanDerWaalsContact O-N 3.07Å; T708-T770 PolarHBondContact O-OG1 3.02Å; T770-T832 PolarHBondContact O-N 2.73Å; T770-T832 VanDerWaalsContact O-N 3.11Å; T770-T832 PolarHBondContact O-OG1 2.91Å; T770-N833 PolarHBondContact O-N 3.4Å
771N71.6Confident73.4Confident55 Ų5529.4 Ų29.429%0.29418%0.184SC..EExtended strand (participates in β ladder)trans-122.3120.5177.6-59.3-52.3000109.7T708 N709 F710 N833T708-N771 PolarHBondContact O-N 2.92Å; N709-N771 WeakPolarHBondContact CA-O 3.42Å; N709-N771 PolarHBondContact OD1-ND2 3.1Å; F710-N771 PolarHBondContact N-O 3.33Å; N771-N833 WeakPolarHBondContact OD1-CB 3.35Å; N771-N833 PolarHBondContact OD1-ND2 2.82Å
772F75.9Confident73.2Confident1 Ų127.1 Ų27.10%0.00417%0.172CC..EExtended strand (participates in β ladder)trans-119.6119-179.4-176.3-84.5000109.7F710 I764 A766 T769 T774 I826 A828 T831 N833 F834 T835F710-F772 HydrophobicContact CB-CD2 4.04Å; F710-F772 AromaticContact CD1-CD2 3.41Å; F710-F772 HydrophobicContact CD1-CD2 3.41Å; F710-F772 VanDerWaalsContact CD1-CD2 3.41Å; F710-F772 AromaticContact CD1-CE2 3.24Å; F710-F772 HydrophobicContact CD1-CE2 3.24Å; F710-F772 HydrophobicContact CD1-CG 4.24Å; F710-F772 AromaticContact CD1-CZ 3.97Å; F710-F772 HydrophobicContact CD1-CZ 3.97Å; F710-F772 HydrophobicContact CE1-CD2 4.08Å; F710-F772 AromaticContact CE1-CE2 3.4Å; F710-F772 HydrophobicContact CE1-CE2 3.4Å; F710-F772 VanDerWaalsContact CE1-CE2 3.4Å; F710-F772 AromaticContact CE1-CZ 3.87Å; F710-F772 HydrophobicContact CE1-CZ 3.87Å; F710-F772 AromaticContact CG-CD2 3.91Å; F710-F772 HydrophobicContact CG-CD2 3.91Å; F710-F772 HydrophobicContact CG-CE2 4.02Å; F710-F772 HydrophobicContact CZ-CE2 4.31Å; I764-F772 HydrophobicContact CG2-CE2 4.02Å; I764-F772 HydrophobicContact CG2-CZ 3.94Å; A766-F772 HydrophobicContact CB-CD2 3.96Å; A766-F772 HydrophobicContact CB-CE2 3.7Å; T769-F772 HydrophobicContact CG2-CB 4.45Å; F772-T774 HydrophobicContact CD1-CG2 4.08Å; F772-T774 HydrophobicContact CE1-CG2 3.2Å; F772-T774 HydrophobicContact CE2-CG2 4.37Å; F772-T774 HydrophobicContact CZ-CG2 3.36Å; F772-I826 HydrophobicContact CE1-CD1 4.38Å; F772-I826 HydrophobicContact CE1-CG2 3.65Å; F772-I826 HydrophobicContact CE2-CG2 4.37Å; F772-I826 HydrophobicContact CZ-CG2 3.41Å; F772-I826 VanDerWaalsContact CZ-CG2 3.41Å; F772-A828 HydrophobicContact CD2-CB 4.38Å; F772-A828 HydrophobicContact CE2-CB 4.48Å; F772-T831 HydrophobicContact CB-CG2 3.91Å; F772-N833 PolarHBondContact N-O 3.32Å; F772-F834 HydrophobicContact CB-CD2 4.07Å; F772-F834 AromaticContact CD1-CD2 3.4Å; F772-F834 HydrophobicContact CD1-CD2 3.4Å; F772-F834 VanDerWaalsContact CD1-CD2 3.4Å; F772-F834 AromaticContact CD1-CE2 3.28Å; F772-F834 HydrophobicContact CD1-CE2 3.28Å; F772-F834 HydrophobicContact CD1-CG 4.24Å; F772-F834 HydrophobicContact CD1-CZ 4.04Å; F772-F834 HydrophobicContact CE1-CD2 4.04Å; F772-F834 AromaticContact CE1-CE2 3.4Å; F772-F834 HydrophobicContact CE1-CE2 3.4Å; F772-F834 AromaticContact CE1-CZ 3.89Å; F772-F834 HydrophobicContact CE1-CZ 3.89Å; F772-F834 AromaticContact CG-CD2 3.9Å; F772-F834 HydrophobicContact CG-CD2 3.9Å; F772-F834 HydrophobicContact CG-CE2 4.04Å; F772-F834 HydrophobicContact CZ-CE2 4.27Å; F772-F834 WeakPolarHBondContact O-CA 3.34Å; F772-T835 PolarHBondContact O-N 3.34Å
773T78Confident73.1Confident49 Ų4928 Ų2830%0.30118%0.182SC..EExtended strand (participates in β ladder)trans-129.5125.5179.5-54.50000110.1F710 T711 T712 T835F710-T773 PolarHBondContact O-N 3.09Å; T711-T773 CarbonylContact C-O 3.49Å; T711-T773 VanDerWaalsContact CA-O 3.27Å; T711-T773 WeakPolarHBondContact CA-O 3.45Å; T712-T773 PolarHBondContact N-O 3.03Å; T773-T835 CarbonylContact C-O 3.56Å; T773-T835 VanDerWaalsContact CA-O 3.3Å; T773-T835 WeakPolarHBondContact CA-O 3.31Å
774T74Confident72.8Confident3 Ų325.1 Ų25.12%0.01816%0.164CC..EExtended strand (participates in β ladder)trans-129132.3173.559.40000109.1F710 T712 I764 F772 I826 T835 T836 T837F710-T774 HydrophobicContact CE1-CG2 4.3Å; T712-T774 WeakPolarHBondContact O-CA 3.34Å; T712-T774 WeakPolarHBondContact OG1-CB 3.49Å; T712-T774 VanDerWaalsContact OG1-CG2 3.29Å; T712-T774 WeakPolarHBondContact OG1-CG2 3.19Å; I764-T774 HydrophobicContact CD1-CG2 3.84Å; F772-T774 HydrophobicContact CD1-CG2 4.08Å; F772-T774 HydrophobicContact CE1-CG2 3.2Å; F772-T774 HydrophobicContact CE2-CG2 4.37Å; F772-T774 HydrophobicContact CZ-CG2 3.36Å; T774-I826 HydrophobicContact CG2-CD1 4.32Å; T774-T835 PolarHBondContact N-O 3.28Å; T774-T836 CarbonylContact O-C 3.58Å; T774-T836 WeakPolarHBondContact O-CA 3.43Å; T774-T836 WeakPolarHBondContact OG1-CA 3.26Å; T774-T836 WeakPolarHBondContact OG1-CB 3.46Å; T774-T836 WeakPolarHBondContact OG1-CG2 3.46Å; T774-T836 PolarHBondContact OG1-OG1 3.21Å; T774-T837 PolarHBondContact O-N 2.83Å
775T79.2Confident72.6Confident39 Ų3927.5 Ų27.524%0.23918%0.177CC..EExtended strand (participates in β ladder)trans-128.1118.4176.8-56.10000108.6T712 T713 T714 T837T712-T775 PolarHBondContact O-N 3.2Å; T713-T775 CarbonylContact C-O 3.58Å; T713-T775 VanDerWaalsContact CA-O 3.3Å; T713-T775 WeakPolarHBondContact CA-O 3.38Å; T714-T775 PolarHBondContact N-O 3.25Å; T775-T837 CarbonylContact C-O 3.59Å; T775-T837 WeakPolarHBondContact CA-O 3.46Å
776T73.7Confident72.3Confident6 Ų625 Ų254%0.03716%0.162CC..EExtended strand (participates in β ladder)trans-114.8121.4171.7-52.70000108T714 T760 T837 T838 T839T714-T776 CarbonylContact O-C 3.57Å; T714-T776 VanDerWaalsContact O-CA 3.3Å; T714-T776 WeakPolarHBondContact O-CA 3.16Å; T760-T776 HydrophobicContact CG2-CG2 3.86Å; T776-T837 PolarHBondContact N-O 3.14Å; T776-T838 CarbonylContact O-C 3.54Å; T776-T838 VanDerWaalsContact O-CA 3.31Å; T776-T838 WeakPolarHBondContact O-CA 3.5Å; T776-T839 PolarHBondContact O-N 3.15Å
777T78.4Confident71.9Confident36 Ų3626.9 Ų26.922%0.22118%0.175CC..EExtended strand (participates in β ladder)trans-121.9115.4174.7-55.70000108.6T714 T715 T716 T839T714-T777 PolarHBondContact O-N 2.83Å; T715-T777 CarbonylContact C-O 3.52Å; T715-T777 VanDerWaalsContact CA-O 3.27Å; T715-T777 WeakPolarHBondContact CA-O 3.29Å; T716-T777 PolarHBondContact N-O 3.45Å; T777-T839 CarbonylContact C-O 3.6Å; T777-T839 WeakPolarHBondContact CA-O 3.45Å
778T73Confident71.5Confident0 Ų025.8 Ų25.80%017%0.165CC..EExtended strand (participates in β ladder)trans-113117.2173.7-530000107.8T716 V758 T760 T780 V820 T822 T839 T840 T841T716-T778 CarbonylContact O-C 3.57Å; T716-T778 VanDerWaalsContact O-CA 3.28Å; T716-T778 WeakPolarHBondContact O-CA 3.45Å; V758-T778 HydrophobicContact CG1-CG2 3.78Å; T760-T778 PolarHBondContact OG1-OG1 2.68Å; T778-T780 HydrophobicContact CG2-CG2 4.32Å; T778-V820 HydrophobicContact CG2-CG1 3.71Å; T778-T822 HydrophobicContact CG2-CG2 4.45Å; T778-T822 WeakPolarHBondContact OG1-CG2 3.12Å; T778-T839 PolarHBondContact N-O 2.83Å; T778-T840 CarbonylContact O-C 3.58Å; T778-T840 VanDerWaalsContact O-CA 3.26Å; T778-T840 WeakPolarHBondContact O-CA 3.28Å; T778-T841 PolarHBondContact O-N 2.92Å
779T77.4Confident70.8Confident40 Ų4026.6 Ų26.625%0.24517%0.167CC..EExtended strand (participates in β ladder)trans-119.9118.1176.7-54.20000108.1T716 T717 T718 T841T716-T779 PolarHBondContact O-N 2.92Å; T717-T779 CarbonylContact C-O 3.56Å; T717-T779 VanDerWaalsContact CA-O 3.22Å; T717-T779 WeakPolarHBondContact CA-O 3.45Å; T718-T779 PolarHBondContact N-O 3.09Å; T779-T841 CarbonylContact C-O 3.59Å; T779-T841 VanDerWaalsContact CA-O 3.31Å; T779-T841 WeakPolarHBondContact CA-O 3.15Å
780T75Confident70.6Confident1 Ų128.1 Ų28.11%0.00618%0.178CC..EExtended strand (participates in β ladder)trans-115.4129.7172.866.70000108.6T718 V758 T778 V820 T841 T842 T843T718-T780 WeakPolarHBondContact O-CA 3.46Å; T718-T780 WeakPolarHBondContact OG1-CB 3.41Å; T718-T780 VanDerWaalsContact OG1-CG2 3.29Å; T718-T780 WeakPolarHBondContact OG1-CG2 3.36Å; V758-T780 HydrophobicContact CB-CG2 3.91Å; V758-T780 HydrophobicContact CG1-CG2 4.27Å; V758-T780 HydrophobicContact CG2-CG2 3.53Å; T778-T780 HydrophobicContact CG2-CG2 4.32Å; T780-V820 HydrophobicContact CG2-CG1 4.39Å; T780-V820 HydrophobicContact CG2-CG2 3.53Å; T780-V820 WeakPolarHBondContact OG1-CG2 3.44Å; T780-T841 PolarHBondContact N-O 3.36Å; T780-T842 CarbonylContact O-C 3.55Å; T780-T842 WeakPolarHBondContact O-CA 3.47Å; T780-T842 WeakPolarHBondContact OG1-CG2 3.46Å; T780-T843 PolarHBondContact O-N 3.45Å
781T75.4Confident70.5Confident50 Ų5027.2 Ų27.231%0.30717%0.171SC..EExtended strand (participates in β ladder)trans-125.9121.9174.8-53.80000107.6T718 T719 D720 T843T718-T781 PolarHBondContact O-N 3.05Å; T719-T781 CarbonylContact C-O 3.59Å; T719-T781 VanDerWaalsContact CA-O 3.25Å; T719-T781 WeakPolarHBondContact CA-O 3.2Å; D720-T781 PolarHBondContact N-O 2.79Å; T781-T843 CarbonylContact C-O 3.6Å; T781-T843 WeakPolarHBondContact CA-O 3.47Å
782D76.2Confident70.1Confident1 Ų126.4 Ų26.41%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-122.4135.6174.2173.320.8000108.3D720 A755 P818 T843 D844 G845D720-D782 WeakPolarHBondContact O-CA 3.46Å; A755-D782 VanDerWaalsContact CB-OD2 3.31Å; A755-D782 WeakPolarHBondContact CB-OD2 3.12Å; D782-P818 HydrophobicContact CB-CG 3.67Å; D782-T843 PolarHBondContact N-O 3.44Å; D782-D844 WeakPolarHBondContact O-CA 3.39Å; D782-G845 PolarHBondContact O-N 2.9Å
783G71.4Confident69.7Low25 Ų2528.4 Ų28.426%0.25818%0.178SC..  trans-136.779.2-168.500000113.4D720 F722 N785D720-G783 PolarHBondContact O-N 2.89Å; D720-G783 VanDerWaalsContact O-N 3.14Å; F722-G783 PolarHBondContact N-O 3.25Å; F722-G783 VanDerWaalsContact O-O 3.14Å; G783-N785 PolarHBondContact O-N 3.4Å; G783-N785 VanDerWaalsContact O-N 3.16Å
784F73.9Confident69Low0 Ų028.9 Ų28.90%019%0.188CC..  trans-72106.5168.6-174.5-89.6000112.6F722 V751 D753 Q786 V813 G845 F846 N847F722-F784 HydrophobicContact CB-CD2 4.1Å; F722-F784 AromaticContact CD1-CD2 3.4Å; F722-F784 HydrophobicContact CD1-CD2 3.4Å; F722-F784 VanDerWaalsContact CD1-CD2 3.4Å; F722-F784 AromaticContact CD1-CE2 3.35Å; F722-F784 HydrophobicContact CD1-CE2 3.35Å; F722-F784 HydrophobicContact CD1-CG 4.22Å; F722-F784 HydrophobicContact CD1-CZ 4.11Å; F722-F784 HydrophobicContact CE1-CD2 4.04Å; F722-F784 AromaticContact CE1-CE2 3.47Å; F722-F784 HydrophobicContact CE1-CE2 3.47Å; F722-F784 VanDerWaalsContact CE1-CE2 3.47Å; F722-F784 AromaticContact CE1-CZ 3.96Å; F722-F784 HydrophobicContact CE1-CZ 3.96Å; F722-F784 AromaticContact CG-CD2 3.89Å; F722-F784 HydrophobicContact CG-CD2 3.89Å; F722-F784 HydrophobicContact CG-CE2 4.08Å; F722-F784 HydrophobicContact CZ-CE2 4.28Å; V751-F784 HydrophobicContact CG1-CE2 4.13Å; V751-F784 HydrophobicContact CG1-CZ 4.38Å; D753-F784 HydrophobicContact CB-CD2 3.58Å; D753-F784 HydrophobicContact CB-CE2 3.95Å; D753-F784 VanDerWaalsContact OD2-CD2 3.3Å; D753-F784 WeakPolarHBondContact OD2-CD2 3.44Å; F784-Q786 HydrophobicContact CD1-CB 4.5Å; F784-Q786 HydrophobicContact CE1-CB 3.57Å; F784-Q786 HydrophobicContact CZ-CB 3.77Å; F784-V813 HydrophobicContact CE1-CG1 4.06Å; F784-V813 HydrophobicContact CE2-CG1 4.17Å; F784-V813 HydrophobicContact CZ-CG1 3.47Å; F784-V813 VanDerWaalsContact CZ-CG1 3.47Å; F784-G845 VanDerWaalsContact O-O 3.12Å; F784-F846 HydrophobicContact CB-CD2 4.06Å; F784-F846 AromaticContact CD1-CD2 3.35Å; F784-F846 HydrophobicContact CD1-CD2 3.35Å; F784-F846 AromaticContact CD1-CE2 3.39Å; F784-F846 HydrophobicContact CD1-CE2 3.39Å; F784-F846 HydrophobicContact CD1-CG 4.39Å; F784-F846 HydrophobicContact CD1-CZ 4.44Å; F784-F846 HydrophobicContact CE1-CD2 4.03Å; F784-F846 AromaticContact CE1-CE2 3.56Å; F784-F846 HydrophobicContact CE1-CE2 3.56Å; F784-F846 HydrophobicContact CE1-CZ 4.36Å; F784-F846 AromaticContact CG-CD2 3.9Å; F784-F846 HydrophobicContact CG-CD2 3.9Å; F784-F846 HydrophobicContact CG-CE2 4.17Å; F784-F846 HydrophobicContact CZ-CE2 4.44Å; F784-N847 PolarHBondContact O-N 3.48Å
785N71.8Confident68.7Low57 Ų5730.7 Ų30.731%0.30520%0.198SC..EExtended strand (participates in β ladder)trans-119103.4171.7-168.7-20.5000112F722 N723 Q724 G783 S787F722-N785 WeakPolarHBondContact O-CA 2.92Å; F722-N785 PolarHBondContact O-N 3.37Å; N723-N785 WeakPolarHBondContact CA-O 3.26Å; Q724-N785 PolarHBondContact N-O 3.13Å; G783-N785 PolarHBondContact O-N 3.4Å; G783-N785 VanDerWaalsContact O-N 3.16Å; N785-S787 PolarHBondContact OD1-N 2.9Å
786Q69.5Low68.3Low1 Ų131.9 Ų31.91%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-106.797.1166.7-172.2179.898.100110F784 K788 N847 S849F784-Q786 HydrophobicContact CD1-CB 4.5Å; F784-Q786 HydrophobicContact CE1-CB 3.57Å; F784-Q786 HydrophobicContact CZ-CB 3.77Å; Q786-K788 VanDerWaalsContact CD-CE 3.48Å; Q786-K788 HydrophobicContact CG-CD 4.25Å; Q786-K788 HydrophobicContact CG-CG 4.26Å; Q786-N847 PolarHBondContact N-O 3.18Å; Q786-S849 PolarHBondContact O-N 3.14Å; Q786-S849 PolarHBondContact O-OG 3.39Å
787S60.8Low68.1Low41 Ų4133 Ų3329%0.28722%0.219SC..EExtended strand (participates in β ladder)trans-103.9108.2174.458.60000110.8Q724 S725 K726 N785Q724-S787 PolarHBondContact O-N 2.9Å; S725-S787 WeakPolarHBondContact CA-O 3.02Å; K726-S787 PolarHBondContact N-O 3.33Å; N785-S787 PolarHBondContact OD1-N 2.9Å
788K57.4Low67.6Low16 Ų1633.9 Ų33.97%0.0723%0.226CC..EExtended strand (participates in β ladder)trans-116.6120.4176.9-69170.6179.61590109Y749 Q786 S790 L791Y749-K788 WeakPolarHBondContact OH-CE 3.48Å; Y749-K788 PolarHBondContact OH-NZ 2.86Å; Q786-K788 VanDerWaalsContact CD-CE 3.48Å; Q786-K788 HydrophobicContact CG-CD 4.25Å; Q786-K788 HydrophobicContact CG-CG 4.26Å; K788-S790 VanDerWaalsContact C-N 3.31Å; K788-L791 HydrophobicContact CD-CB 4.47Å
789S48.6Very low67.6Low79 Ų7934.9 Ų34.955%0.55223%0.231SC*.SBendtrans-76-17.6173.342.20000113.8K726 S727K726-S789 PolarHBondContact O-N 3.41Å; K726-S789 PolarHBondContact O-OG 3.49Å; S727-S789 WeakPolarHBondContact CA-OG 3.24Å; S727-S789 PolarHBondContact O-OG 3.3Å
790S57.1Low67Low32 Ų3237.4 Ų37.422%0.22425%0.249CC..  trans-164.3131.7167.153.80000112S728 L729 K788S728-S790 WeakPolarHBondContact CB-OG 3.33Å; L729-S790 PolarHBondContact N-O 2.9Å; K788-S790 VanDerWaalsContact C-N 3.31Å
791L62Low66.5Low40 Ų4042.5 Ų42.521%0.20928%0.279CS..EExtended strand (participates in β ladder)trans-112.4104.1168.8175.565.2000108.3L729 K788 V793 Y811L729-L791 HydrophobicContact CB-CD1 3.92Å; L729-L791 HydrophobicContact CD2-CD1 3.5Å; L729-L791 VanDerWaalsContact CD2-CD1 3.5Å; L729-L791 HydrophobicContact CG-CD1 3.7Å; K788-L791 HydrophobicContact CD-CB 4.47Å; L791-V793 HydrophobicContact CD1-CG2 3.72Å; L791-V793 HydrophobicContact CG-CG2 4.02Å; L791-Y811 HydrophobicContact CD2-CE2 3.93Å
792N64.4Low65.7Low37 Ų3741.4 Ų41.420%0.19828%0.278CS..EExtended strand (participates in β ladder)trans-112.193.9-179.6-82.3-33.5000109.8L729 N730 V731 E944L729-N792 PolarHBondContact O-N 2.92Å; N730-N792 CarbonylContact C-O 3.55Å; N730-N792 WeakPolarHBondContact CA-O 3.31Å; N730-N792 WeakPolarHBondContact OD1-CB 3.39Å; V731-N792 PolarHBondContact N-O 2.91Å; N792-E944 PolarHBondContact ND2-OE1 2.87Å; N792-E944 PolarHBondContact OD1-OE1 2.9Å
793V65.9Low64.9Low43 Ų4346 Ų4626%0.26131%0.31SS..EExtended strand (participates in β ladder)trans-104.2111.2176.5-179.90000108.7V731 F747 L791 V795 F809V731-V793 HydrophobicContact CB-CG2 4.39Å; V731-V793 CarbonylContact O-C 3.58Å; V731-V793 WeakPolarHBondContact O-CA 3.45Å; F747-V793 HydrophobicContact CE1-CG1 3.9Å; F747-V793 HydrophobicContact CE2-CG1 3.86Å; F747-V793 HydrophobicContact CZ-CG1 3.48Å; F747-V793 VanDerWaalsContact CZ-CG1 3.48Å; F747-V793 HydrophobicContact CZ-CG2 4.26Å; L791-V793 HydrophobicContact CD1-CG2 3.72Å; L791-V793 HydrophobicContact CG-CG2 4.02Å; V793-V795 HydrophobicContact CG1-CG2 3.82Å; V793-F809 HydrophobicContact CG1-CE2 3.94Å
794A64.9Low64.5Low60 Ų6047.8 Ų47.850%0.49632%0.316SS..EExtended strand (participates in β ladder)trans-111.399175.800000109V731 A732 V733V731-A794 PolarHBondContact O-N 2.85Å; A732-A794 WeakPolarHBondContact CA-O 3.31Å; V733-A794 PolarHBondContact N-O 2.84Å
795V67.4Low64.4Low40 Ų4052.2 Ų52.224%0.24234%0.336CS..EExtended strand (participates in β ladder)trans-101.1122.3173.3-174.60000108.1V733 Q745 F747 V793 F809V733-V795 HydrophobicContact CB-CG2 4.45Å; V733-V795 CarbonylContact O-C 3.59Å; V733-V795 WeakPolarHBondContact O-CA 3.48Å; Q745-V795 HydrophobicContact CG-CG1 4.48Å; F747-V795 HydrophobicContact CB-CG2 4.28Å; F747-V795 HydrophobicContact CD2-CG2 3.73Å; F747-V795 HydrophobicContact CE2-CG2 4.21Å; F747-V795 HydrophobicContact CG-CG2 3.96Å; V793-V795 HydrophobicContact CG1-CG2 3.82Å; V795-F809 HydrophobicContact CG2-CD2 4.35Å; V795-F809 HydrophobicContact CG2-CE2 4.41Å
796S71.3Confident64.3Low65 Ų6554 Ų5446%0.45535%0.345SS..EExtended strand (participates in β ladder)trans-127.5132.8177.558.10000110.1V733 S734 A735 Q745V733-S796 PolarHBondContact O-N 2.95Å; V733-S796 PolarHBondContact O-OG 3.32Å; S734-S796 WeakPolarHBondContact CA-O 3.23Å; S734-S796 WeakPolarHBondContact CB-OG 3.35Å; A735-S796 PolarHBondContact N-O 2.91Å; Q745-S796 PolarHBondContact NE2-O 2.92Å; Q745-S796 VanDerWaalsContact NE2-O 3.1Å
797A68.6Low64.4Low30 Ų3058.6 Ų58.625%0.24837%0.367CS..EExtended strand (participates in β ladder)trans-133.3137.3176.300000108.8A735 F743 F805A735-A797 WeakPolarHBondContact O-CA 3.45Å; F743-A797 HydrophobicContact CE1-CB 3.42Å; F743-A797 VanDerWaalsContact CE1-CB 3.42Å; F743-A797 HydrophobicContact CZ-CB 3.42Å; F743-A797 VanDerWaalsContact CZ-CB 3.42Å; A797-F805 HydrophobicContact CB-CE2 3.75Å; A797-F805 HydrophobicContact CB-CZ 3.71Å
798S68.8Low64.6Low53 Ų5358.4 Ų58.437%0.37137%0.371SS..EExtended strand (participates in β ladder)trans-132.1114.4177.8177.90000109.8A735 N737 P800A735-S798 PolarHBondContact O-N 2.96Å; N737-S798 CarbonylContact C-O 3.55Å; N737-S798 PolarHBondContact N-O 3.18Å; S798-P800 WeakPolarHBondContact OG-CD 3.27Å
799N71.1Confident65.2Low21 Ų2163.1 Ų63.111%0.11239%0.391CS..  trans-138.169.8168.8-170.61.3000111.4N737 G740 F743 V801 G802 F805N737-N799 WeakPolarHBondContact O-CA 3.36Å; N737-N799 VanDerWaalsContact O-CG 3.31Å; N737-N799 PolarHBondContact O-OD1 2.89Å; G740-N799 PolarHBondContact O-ND2 3.11Å; G740-N799 PolarHBondContact O-OD1 3.07Å; F743-N799 HydrophobicContact CB-CB 4.24Å; F743-N799 WeakPolarHBondContact CB-ND2 3.38Å; F743-N799 HydrophobicContact CD2-CB 4.46Å; F743-N799 HydrophobicContact CG-CB 4.26Å; N799-V801 PolarHBondContact O-N 2.87Å; N799-V801 VanDerWaalsContact O-N 3.15Å; N799-G802 VanDerWaalsContact OD1-CA 3.28Å; N799-G802 WeakPolarHBondContact OD1-CA 3.43Å; N799-G802 PolarHBondContact OD1-N 2.83Å; N799-F805 HydrophobicContact CB-CD2 3.66Å; N799-F805 HydrophobicContact CB-CE2 4.17Å
800P65.4Low66.2Low94 Ų9463.3 Ų63.361%0.6139%0.389SS*.THydrogen-bonded Turntrans-58.5-19.5-177.615.5-32.6000116.7P738 S798P738-P800 HydrophobicContact CB-CG 3.9Å; S798-P800 WeakPolarHBondContact OG-CD 3.27Å
801V64.7Low66.8Low108 Ų10865.6 Ų65.666%0.65539%0.394SS*.THydrogen-bonded Turntrans-129.62.8-169.9-155.60000113.5P738 N799P738-V801 VanDerWaalsContact O-CB 3.3Å; P738-V801 WeakPolarHBondContact O-CB 2.94Å; P738-V801 WeakPolarHBondContact O-CG2 3.34Å; P738-V801 PolarHBondContact O-N 2.89Å; N799-V801 PolarHBondContact O-N 2.87Å; N799-V801 VanDerWaalsContact O-N 3.15Å
802G58.5Low67.1Low27 Ų2765 Ų6528%0.27840%0.397SS..  trans-84151.9-174.200000116.2G740 N799G740-G802 WeakPolarHBondContact O-CA 3.42Å; N799-G802 VanDerWaalsContact OD1-CA 3.28Å; N799-G802 WeakPolarHBondContact OD1-CA 3.43Å; N799-G802 PolarHBondContact OD1-N 2.83Å
803S59.1Low67.4Low98 Ų9864.9 Ų64.969%0.68540%0.398SS*.SBendtrans-78.4-23.9-179.248.80000114.4S741S741-S803 PolarHBondContact O-N 3.25Å; S741-S803 PolarHBondContact O-OG 3.15Å
804T62.8Low68Low62 Ų6266.2 Ų66.238%0.3841%0.406SS..EExtended strand (participates in β ladder)trans-141.7118.4-177.2160000110.2S741 F743S741-T804 PolarHBondContact O-N 3.15Å; S741-T804 PolarHBondContact O-OG1 3.1Å; F743-T804 PolarHBondContact N-O 3.42Å
805F73.2Confident68.6Low93 Ų9365.4 Ų65.441%0.40839%0.393SS..EExtended strand (participates in β ladder)trans-128.8110.7-179.1177.2-93.6000109.4F743 A797 N799 Q807F743-F805 HydrophobicContact CB-CD2 4.31Å; F743-F805 AromaticContact CD1-CD2 3.41Å; F743-F805 HydrophobicContact CD1-CD2 3.41Å; F743-F805 VanDerWaalsContact CD1-CD2 3.41Å; F743-F805 AromaticContact CD1-CE2 3.51Å; F743-F805 HydrophobicContact CD1-CE2 3.51Å; F743-F805 HydrophobicContact CD1-CG 4.39Å; F743-F805 AromaticContact CE1-CD2 3.98Å; F743-F805 HydrophobicContact CE1-CD2 3.98Å; F743-F805 AromaticContact CE1-CE2 3.54Å; F743-F805 HydrophobicContact CE1-CE2 3.54Å; F743-F805 HydrophobicContact CE1-CZ 4.32Å; F743-F805 HydrophobicContact CG-CD2 4.04Å; F743-F805 HydrophobicContact CG-CE2 4.36Å; F743-F805 HydrophobicContact CZ-CE2 4.38Å; A797-F805 HydrophobicContact CB-CE2 3.75Å; A797-F805 HydrophobicContact CB-CZ 3.71Å; N799-F805 HydrophobicContact CB-CD2 3.66Å; N799-F805 HydrophobicContact CB-CE2 4.17Å; F805-Q807 HydrophobicContact CE1-CB 3.97Å; F805-Q807 HydrophobicContact CZ-CB 4.17Å
806N70.1Confident68.9Low94 Ų9466.3 Ų66.350%0.50340%0.399SS..EExtended strand (participates in β ladder)trans-117.6117.8174.3-61.9-47.8000109.3F743 N744 Q745F743-N806 PolarHBondContact O-N 3.1Å; N744-N806 WeakPolarHBondContact CA-O 3.33Å; N744-N806 WeakPolarHBondContact OD1-CB 3.39Å; N744-N806 PolarHBondContact OD1-ND2 3.13Å; Q745-N806 PolarHBondContact N-O 3.33Å
807Q70.5Confident68.7Low98 Ų9866.7 Ų66.746%0.45841%0.406SS..EExtended strand (participates in β ladder)trans-114.6114.9168.5-175.4178.757.700107.8Q745 F805Q745-Q807 CarbonylContact O-C 3.59Å; Q745-Q807 WeakPolarHBondContact O-CA 3.4Å; F805-Q807 HydrophobicContact CE1-CB 3.97Å; F805-Q807 HydrophobicContact CZ-CB 4.17Å
808G65Low68.9Low36 Ų3666.4 Ų66.437%0.37140%0.402SS..EExtended strand (participates in β ladder)trans-104.3129175.800000110.1Q745 F747Q745-G808 PolarHBondContact O-N 3.09Å; F747-G808 PolarHBondContact N-O 2.57Å
809F69.2Low69.3Low115 Ų11568.9 Ų68.950%0.50441%0.411SS..EExtended strand (participates in β ladder)trans-127.5117.8171.9-176.4-85.3000108.4F747 V793 V795F747-F809 HydrophobicContact CB-CD2 4.04Å; F747-F809 AromaticContact CD1-CD2 3.43Å; F747-F809 HydrophobicContact CD1-CD2 3.43Å; F747-F809 VanDerWaalsContact CD1-CD2 3.43Å; F747-F809 AromaticContact CD1-CE2 3.26Å; F747-F809 HydrophobicContact CD1-CE2 3.26Å; F747-F809 HydrophobicContact CD1-CG 4.35Å; F747-F809 HydrophobicContact CD1-CZ 4.07Å; F747-F809 HydrophobicContact CE1-CD2 4.16Å; F747-F809 AromaticContact CE1-CE2 3.5Å; F747-F809 HydrophobicContact CE1-CE2 3.5Å; F747-F809 HydrophobicContact CE1-CZ 4.04Å; F747-F809 AromaticContact CG-CD2 3.94Å; F747-F809 HydrophobicContact CG-CD2 3.94Å; F747-F809 HydrophobicContact CG-CE2 4.06Å; F747-F809 HydrophobicContact CZ-CE2 4.45Å; F747-F809 CarbonylContact O-C 3.59Å; F747-F809 WeakPolarHBondContact O-CA 3.17Å; V793-F809 HydrophobicContact CG1-CE2 3.94Å; V795-F809 HydrophobicContact CG2-CD2 4.35Å; V795-F809 HydrophobicContact CG2-CE2 4.41Å
810T70.5Confident69.4Low83 Ų8369.4 Ų69.451%0.50942%0.415SS..EExtended strand (participates in β ladder)trans-121.7123.6177.3-54.20000108.2F747 T748 Y749F747-T810 PolarHBondContact O-N 3.01Å; T748-T810 WeakPolarHBondContact CA-O 3.36Å; Y749-T810 PolarHBondContact N-O 3.26Å
811Y69.6Low70.1Confident80 Ų8066.9 Ų66.931%0.31440%0.399SS..EExtended strand (participates in β ladder)trans-123.2120.1172.8179.6-85.2000107.5Y749 L791 V813 I850Y749-Y811 AromaticContact CD1-CD2 3.43Å; Y749-Y811 HydrophobicContact CD1-CD2 3.43Å; Y749-Y811 VanDerWaalsContact CD1-CD2 3.43Å; Y749-Y811 AromaticContact CD1-CE2 3.29Å; Y749-Y811 HydrophobicContact CD1-CE2 3.29Å; Y749-Y811 HydrophobicContact CD1-CG 4.33Å; Y749-Y811 HydrophobicContact CE1-CD2 4.21Å; Y749-Y811 AromaticContact CE1-CE2 3.58Å; Y749-Y811 HydrophobicContact CE1-CE2 3.58Å; Y749-Y811 AromaticContact CG-CD2 3.88Å; Y749-Y811 HydrophobicContact CG-CD2 3.88Å; Y749-Y811 HydrophobicContact CG-CE2 4Å; Y749-Y811 WeakPolarHBondContact O-CA 3.45Å; L791-Y811 HydrophobicContact CD2-CE2 3.93Å; Y811-V813 HydrophobicContact CE1-CG2 3.95Å; Y811-I850 HydrophobicContact CE1-CD1 4.31Å; Y811-I850 WeakPolarHBondContact OH-CD1 3.25Å
812G68.6Low70.5Confident27 Ų2763.8 Ų63.828%0.27838%0.381SS..EExtended strand (participates in β ladder)trans-132.9133.7177.100000110.4Y749 G750 V751Y749-G812 PolarHBondContact O-N 2.9Å; G750-G812 WeakPolarHBondContact CA-O 3.39Å; V751-G812 PolarHBondContact N-O 3.2Å; V751-G812 VanDerWaalsContact N-O 3.07Å
813V70.9Confident71.2Confident35 Ų3567.1 Ų67.121%0.21239%0.392CS..EExtended strand (participates in β ladder)trans-122.1122.2159.5179.40000105V751 F784 Y811V751-V813 HydrophobicContact CB-CG2 4.45Å; V751-V813 CarbonylContact O-C 3.53Å; V751-V813 VanDerWaalsContact O-CA 3.29Å; V751-V813 WeakPolarHBondContact O-CA 3.41Å; F784-V813 HydrophobicContact CE1-CG1 4.06Å; F784-V813 HydrophobicContact CE2-CG1 4.17Å; F784-V813 HydrophobicContact CZ-CG1 3.47Å; F784-V813 VanDerWaalsContact CZ-CG1 3.47Å; Y811-V813 HydrophobicContact CE1-CG2 3.95Å
814T77.3Confident71.8Confident72 Ų7264.8 Ų64.844%0.44238%0.376SS..EExtended strand (participates in β ladder)trans-115128.9177.7-44.40000106.8V751 T752 D753 T816V751-T814 PolarHBondContact O-N 2.87Å; T752-T814 WeakPolarHBondContact CA-O 3.07Å; D753-T814 PolarHBondContact N-O 3.35Å; T814-T816 HydrophobicContact CG2-CG2 4.5Å
815D77.3Confident72.4Confident42 Ų4266 Ų6623%0.22538%0.383CS..EExtended strand (participates in β ladder)trans-133.1131.6172.4173.124.1000105F846D815-F846 HydrophobicContact CB-CD2 4Å; D815-F846 HydrophobicContact CB-CE2 4.04Å; D815-F846 WeakPolarHBondContact OD2-CD2 3.12Å
816T74.3Confident72.3Confident60 Ų6063.7 Ų63.737%0.36838%0.375SS..  trans-114.9136.1-177.755.80000107.7T754 A755 T814T754-T816 VanDerWaalsContact CA-OG1 3.3Å; T754-T816 WeakPolarHBondContact CA-OG1 3.33Å; A755-T816 WeakPolarHBondContact CB-O 3.09Å; A755-T816 PolarHBondContact N-OG1 3.22Å; T814-T816 HydrophobicContact CG2-CG2 4.5Å
817A68.4Low72.3Confident72 Ų7263.1 Ų63.160%0.59537%0.374SS*.PPolyproline II helixtrans-72150.9179.400000112.3A755A755-A817 VanDerWaalsContact CB-C 3.5Å
818P72.7Confident72Confident24 Ų2460 Ų6016%0.15637%0.365CS..PPolyproline II helixtrans-59.3136.7176.5-20.828.3000112.8A755 D782 V820A755-P818 HydrophobicContact CB-CB 4.16Å; A755-P818 HydrophobicContact CB-CG 3.84Å; A755-P818 VanDerWaalsContact CB-N 3.33Å; D782-P818 HydrophobicContact CB-CG 3.67Å; P818-V820 HydrophobicContact CB-CG2 4.48Å
819D75.3Confident71.9Confident106 Ų10661.1 Ų61.157%0.56737%0.368SS*.EExtended strand (participates in β ladder)trans-97.8129.9168.5-161.4-8.3000109.4P756 V758P756-D819 PolarHBondContact O-N 2.96Å; V758-D819 PolarHBondContact N-O 3.3Å
820V74.4Confident71.4Confident32 Ų3259.7 Ų59.719%0.19438%0.377CS..EExtended strand (participates in β ladder)trans-136.3117.7-175.3-1730000110.5V758 T778 T780 P818 T840 T842V758-V820 HydrophobicContact CB-CG1 4.44Å; V758-V820 HydrophobicContact CB-CG2 4.44Å; V758-V820 CarbonylContact O-C 3.53Å; V758-V820 WeakPolarHBondContact O-CA 3.38Å; T778-V820 HydrophobicContact CG2-CG1 3.71Å; T780-V820 HydrophobicContact CG2-CG1 4.39Å; T780-V820 HydrophobicContact CG2-CG2 3.53Å; T780-V820 WeakPolarHBondContact OG1-CG2 3.44Å; P818-V820 HydrophobicContact CB-CG2 4.48Å; V820-T840 HydrophobicContact CB-CG2 4.4Å; V820-T840 HydrophobicContact CG1-CG2 3.63Å; V820-T842 HydrophobicContact CB-CG2 4.15Å; V820-T842 HydrophobicContact CG2-CG2 3.63Å
821S79.1Confident70.8Confident41 Ų4158 Ų5829%0.28737%0.367SS..EExtended strand (participates in β ladder)trans-118.8128177.267.30000111.7V758 S759 T760V758-S821 PolarHBondContact O-N 3.3Å; S759-S821 WeakPolarHBondContact CA-O 3.25Å; S759-S821 WeakPolarHBondContact CB-OG 3.1Å; T760-S821 PolarHBondContact N-O 3.35Å
822T73.4Confident70.3Confident42 Ų4259.1 Ų59.126%0.25838%0.382SS..EExtended strand (participates in β ladder)trans-125.8108.8176.257.50000109.7T760 T778T760-T822 CarbonylContact O-C 3.54Å; T760-T822 WeakPolarHBondContact O-CA 3.44Å; T778-T822 HydrophobicContact CG2-CG2 4.45Å; T778-T822 WeakPolarHBondContact OG1-CG2 3.12Å
823N74.3Confident70.1Confident98 Ų9862.3 Ų62.352%0.52439%0.393SS..EExtended strand (participates in β ladder)trans-118.2121.4180-60.6-51.3000111.2T760 N761 S762T760-N823 PolarHBondContact O-N 3.21Å; N761-N823 CarbonylContact C-O 3.55Å; N761-N823 VanDerWaalsContact CA-O 3.3Å; N761-N823 WeakPolarHBondContact CA-O 3.12Å; N761-N823 WeakPolarHBondContact OD1-CB 3.4Å; N761-N823 PolarHBondContact OD1-ND2 3.36Å; S762-N823 PolarHBondContact N-O 2.88Å
824S70.1Confident70.1Confident49 Ų4965.6 Ų65.634%0.34340%0.404SS..EExtended strand (participates in β ladder)trans-124.3119.7177.7-65.80000110.8S762S762-S824 CarbonylContact O-C 3.56Å; S762-S824 WeakPolarHBondContact O-CA 3.2Å
825T75.6Confident69.8Low86 Ų8665.6 Ų65.653%0.52840%0.404SS..EExtended strand (participates in β ladder)trans-106.9108.5171-57.50000108.7S762 T763 I764S762-T825 PolarHBondContact O-N 2.93Å; T763-T825 WeakPolarHBondContact CA-O 3.32Å; I764-T825 PolarHBondContact N-O 3.23Å
826I71.1Confident69.5Low46 Ų4666.3 Ų66.324%0.23641%0.411CS..EExtended strand (participates in β ladder)trans-114.3121.9-177-58172.3000109.5I764 F772 T774 F834 T836I764-I826 HydrophobicContact CB-CG1 4.45Å; I764-I826 CarbonylContact O-C 3.53Å; I764-I826 WeakPolarHBondContact O-CA 3.49Å; F772-I826 HydrophobicContact CE1-CD1 4.38Å; F772-I826 HydrophobicContact CE1-CG2 3.65Å; F772-I826 HydrophobicContact CE2-CG2 4.37Å; F772-I826 HydrophobicContact CZ-CG2 3.41Å; F772-I826 VanDerWaalsContact CZ-CG2 3.41Å; T774-I826 HydrophobicContact CG2-CD1 4.32Å; I826-F834 HydrophobicContact CG2-CE2 3.91Å; I826-F834 HydrophobicContact CG2-CZ 3.91Å; I826-T836 HydrophobicContact CD1-CG2 3.94Å
827T69.8Low69.6Low81 Ų8166.4 Ų66.450%0.49741%0.411SS..EExtended strand (participates in β ladder)trans-116.1104.8170.8-57.20000108.8I764 T765 A766I764-T827 PolarHBondContact O-N 3.11Å; T765-T827 WeakPolarHBondContact CA-O 3.32Å; A766-T827 PolarHBondContact N-O 2.84Å
828A64.3Low69.7Low32 Ų3266.2 Ų66.226%0.26440%0.403SS..EExtended strand (participates in β ladder)trans-115.8135.3176.700000110.9A766 F772 T831 F834A766-A828 VanDerWaalsContact O-CA 3.3Å; A766-A828 WeakPolarHBondContact O-CA 3.46Å; F772-A828 HydrophobicContact CD2-CB 4.38Å; F772-A828 HydrophobicContact CE2-CB 4.48Å; A828-T831 HydrophobicContact CB-CG2 4.21Å; A828-F834 HydrophobicContact CB-CD2 4.06Å; A828-F834 HydrophobicContact CB-CE2 3.78Å
829S63.8Low69.9Low60 Ų6068 Ų6842%0.4241%0.413SS..EExtended strand (participates in β ladder)trans-125.9137.5177.353.60000112.2A766 S767 A768A766-S829 PolarHBondContact O-N 2.74Å; S767-S829 WeakPolarHBondContact CA-OG 2.94Å; S767-S829 WeakPolarHBondContact CB-OG 3.47Å; A768-S829 PolarHBondContact N-O 2.92Å
830A59.5Low69.8Low85 Ų8566 Ų6670%0.70240%0.404SS*.SBendtrans64.138.7-179.900000116.6T769T769-A830 CarbonylContact O-C 3.51Å
831T57.6Low69.9Low48 Ų4867.4 Ų67.429%0.29441%0.413SS..  trans-87.5135.4177.6430000116.1T769 F772 A828T769-T831 WeakPolarHBondContact O-CA 3.4Å; T769-T831 VanDerWaalsContact O-CG2 3.3Å; T769-T831 WeakPolarHBondContact O-CG2 3.05Å; F772-T831 HydrophobicContact CB-CG2 3.91Å; A828-T831 HydrophobicContact CB-CG2 4.21Å
832T58.8Low69.5Low103 Ų10369.4 Ų69.463%0.63242%0.424SS*.SBendtrans-89.9-36.8172.248.40000113.1T770T770-T832 PolarHBondContact O-N 2.73Å; T770-T832 VanDerWaalsContact O-N 3.11Å; T770-T832 PolarHBondContact O-OG1 2.91Å
833N63.6Low69.3Low94 Ų9470.9 Ų70.950%0.50343%0.433SS..EExtended strand (participates in β ladder)trans-129.8123.8175.5-63.3-46.4000109.2T770 N771 F772T770-N833 PolarHBondContact O-N 3.4Å; N771-N833 WeakPolarHBondContact OD1-CB 3.35Å; N771-N833 PolarHBondContact OD1-ND2 2.82Å; F772-N833 PolarHBondContact N-O 3.32Å
834F71.9Confident69Low104 Ų10469.8 Ų69.846%0.45643%0.427SS..EExtended strand (participates in β ladder)trans-128117.1-177.9-176.8-85000109.3F772 I826 A828 T836F772-F834 HydrophobicContact CB-CD2 4.07Å; F772-F834 AromaticContact CD1-CD2 3.4Å; F772-F834 HydrophobicContact CD1-CD2 3.4Å; F772-F834 VanDerWaalsContact CD1-CD2 3.4Å; F772-F834 AromaticContact CD1-CE2 3.28Å; F772-F834 HydrophobicContact CD1-CE2 3.28Å; F772-F834 HydrophobicContact CD1-CG 4.24Å; F772-F834 HydrophobicContact CD1-CZ 4.04Å; F772-F834 HydrophobicContact CE1-CD2 4.04Å; F772-F834 AromaticContact CE1-CE2 3.4Å; F772-F834 HydrophobicContact CE1-CE2 3.4Å; F772-F834 AromaticContact CE1-CZ 3.89Å; F772-F834 HydrophobicContact CE1-CZ 3.89Å; F772-F834 AromaticContact CG-CD2 3.9Å; F772-F834 HydrophobicContact CG-CD2 3.9Å; F772-F834 HydrophobicContact CG-CE2 4.04Å; F772-F834 HydrophobicContact CZ-CE2 4.27Å; F772-F834 WeakPolarHBondContact O-CA 3.34Å; I826-F834 HydrophobicContact CG2-CE2 3.91Å; I826-F834 HydrophobicContact CG2-CZ 3.91Å; A828-F834 HydrophobicContact CB-CD2 4.06Å; A828-F834 HydrophobicContact CB-CE2 3.78Å; F834-T836 VanDerWaalsContact CE1-OG1 3.25Å; F834-T836 WeakPolarHBondContact CE1-OG1 3.43Å; F834-T836 WeakPolarHBondContact CZ-OG1 3.4Å
835T71.1Confident68.5Low72 Ų7268.9 Ų68.944%0.44243%0.425SS..EExtended strand (participates in β ladder)trans-129.3124.9-179.3-53.40000109.3F772 T773 T774F772-T835 PolarHBondContact O-N 3.34Å; T773-T835 CarbonylContact C-O 3.56Å; T773-T835 VanDerWaalsContact CA-O 3.3Å; T773-T835 WeakPolarHBondContact CA-O 3.31Å; T774-T835 PolarHBondContact N-O 3.28Å
836T70.1Confident67.7Low58 Ų5869.3 Ų69.336%0.35642%0.42SS..EExtended strand (participates in β ladder)trans-128.8125.9173.9-59.30000107.9T774 I826 F834T774-T836 CarbonylContact O-C 3.58Å; T774-T836 WeakPolarHBondContact O-CA 3.43Å; T774-T836 WeakPolarHBondContact OG1-CA 3.26Å; T774-T836 WeakPolarHBondContact OG1-CB 3.46Å; T774-T836 WeakPolarHBondContact OG1-CG2 3.46Å; T774-T836 PolarHBondContact OG1-OG1 3.21Å; I826-T836 HydrophobicContact CD1-CG2 3.94Å; F834-T836 VanDerWaalsContact CE1-OG1 3.25Å; F834-T836 WeakPolarHBondContact CE1-OG1 3.43Å; F834-T836 WeakPolarHBondContact CZ-OG1 3.4Å
837T76.1Confident66.8Low62 Ų6272.4 Ų72.438%0.3844%0.437SS..EExtended strand (participates in β ladder)trans-123.5120.1177.3-54.90000108.4T774 T775 T776T774-T837 PolarHBondContact O-N 2.83Å; T775-T837 CarbonylContact C-O 3.59Å; T775-T837 WeakPolarHBondContact CA-O 3.46Å; T776-T837 PolarHBondContact N-O 3.14Å
838T71.6Confident65.9Low68 Ų6871.8 Ų71.842%0.41743%0.429SS..EExtended strand (participates in β ladder)trans-119.1122.2172.3-54.20000108.1T776T776-T838 CarbonylContact O-C 3.54Å; T776-T838 VanDerWaalsContact O-CA 3.31Å; T776-T838 WeakPolarHBondContact O-CA 3.5Å
839T77.4Confident65Low60 Ų6073.4 Ų73.437%0.36844%0.438SS..EExtended strand (participates in β ladder)trans-122.6115.4177.7-54.20000108.1T776 T777 T778T776-T839 PolarHBondContact O-N 3.15Å; T777-T839 CarbonylContact C-O 3.6Å; T777-T839 WeakPolarHBondContact CA-O 3.45Å; T778-T839 PolarHBondContact N-O 2.83Å
840T72.2Confident64Low64 Ų6473 Ų7339%0.39343%0.431SS..EExtended strand (participates in β ladder)trans-112.5121.2172.7-49.80000108.2T778 V820 T842T778-T840 CarbonylContact O-C 3.58Å; T778-T840 VanDerWaalsContact O-CA 3.26Å; T778-T840 WeakPolarHBondContact O-CA 3.28Å; V820-T840 HydrophobicContact CB-CG2 4.4Å; V820-T840 HydrophobicContact CG1-CG2 3.63Å; T840-T842 HydrophobicContact CG2-CG2 4.32Å
841T76.5Confident63.1Low62 Ų6275.6 Ų75.638%0.3843%0.428SS..EExtended strand (participates in β ladder)trans-123.3114178.1-48.40000108.5T778 T779 T780T778-T841 PolarHBondContact O-N 2.92Å; T779-T841 CarbonylContact C-O 3.59Å; T779-T841 VanDerWaalsContact CA-O 3.31Å; T779-T841 WeakPolarHBondContact CA-O 3.15Å; T780-T841 PolarHBondContact N-O 3.36Å
842T69.9Low62Low83 Ų8380.1 Ų80.151%0.50945%0.45SS..EExtended strand (participates in β ladder)trans-111.8125.2176.559.30000108.7T780 V820 T840T780-T842 CarbonylContact O-C 3.55Å; T780-T842 WeakPolarHBondContact O-CA 3.47Å; T780-T842 WeakPolarHBondContact OG1-CG2 3.46Å; V820-T842 HydrophobicContact CB-CG2 4.15Å; V820-T842 HydrophobicContact CG2-CG2 3.63Å; T840-T842 HydrophobicContact CG2-CG2 4.32Å
843T70.7Confident60.9Low74 Ų7478.3 Ų78.345%0.45444%0.436SS..EExtended strand (participates in β ladder)trans-126.8112.7176.2-41.20000108.5T780 T781 D782T780-T843 PolarHBondContact O-N 3.45Å; T781-T843 CarbonylContact C-O 3.6Å; T781-T843 WeakPolarHBondContact CA-O 3.47Å; D782-T843 PolarHBondContact N-O 3.44Å
844D68.4Low59.4Low75 Ų7580.4 Ų80.440%0.40145%0.447SS..EExtended strand (participates in β ladder)trans-107.1125.9171.8165.35.1000107.9D782 F846D782-D844 WeakPolarHBondContact O-CA 3.39Å; D844-F846 PolarHBondContact OD1-N 3.25Å
845G59.1Low57.7Low29 Ų2979.8 Ų79.830%0.29945%0.452SS..  trans-117.965.8-178.200000114.3D782 F784 N847D782-G845 PolarHBondContact O-N 2.9Å; F784-G845 VanDerWaalsContact O-O 3.12Å; G845-N847 PolarHBondContact O-N 3.1Å
846F58.3Low56.1Low96 Ų9678.9 Ų78.942%0.42146%0.457SS..  trans-63.198.2169.2-172.4-103.6000113.3F784 D815 D844 Q848F784-F846 HydrophobicContact CB-CD2 4.06Å; F784-F846 AromaticContact CD1-CD2 3.35Å; F784-F846 HydrophobicContact CD1-CD2 3.35Å; F784-F846 AromaticContact CD1-CE2 3.39Å; F784-F846 HydrophobicContact CD1-CE2 3.39Å; F784-F846 HydrophobicContact CD1-CG 4.39Å; F784-F846 HydrophobicContact CD1-CZ 4.44Å; F784-F846 HydrophobicContact CE1-CD2 4.03Å; F784-F846 AromaticContact CE1-CE2 3.56Å; F784-F846 HydrophobicContact CE1-CE2 3.56Å; F784-F846 HydrophobicContact CE1-CZ 4.36Å; F784-F846 AromaticContact CG-CD2 3.9Å; F784-F846 HydrophobicContact CG-CD2 3.9Å; F784-F846 HydrophobicContact CG-CE2 4.17Å; F784-F846 HydrophobicContact CZ-CE2 4.44Å; D815-F846 HydrophobicContact CB-CD2 4Å; D815-F846 HydrophobicContact CB-CE2 4.04Å; D815-F846 WeakPolarHBondContact OD2-CD2 3.12Å; D844-F846 PolarHBondContact OD1-N 3.25Å; F846-Q848 HydrophobicContact CD1-CB 4.17Å; F846-Q848 HydrophobicContact CE1-CB 3.45Å; F846-Q848 VanDerWaalsContact CE1-CB 3.45Å; F846-Q848 HydrophobicContact CE1-CG 4.41Å; F846-Q848 HydrophobicContact CE2-CB 4.19Å; F846-Q848 HydrophobicContact CZ-CB 3.49Å; F846-Q848 VanDerWaalsContact CZ-CB 3.49Å; F846-Q848 HydrophobicContact CZ-CG 4.08Å
847N52.4Low55Low111 Ų11178.9 Ų78.959%0.59445%0.454SS*.EExtended strand (participates in β ladder)trans-111.589.6172.7-88.6-53.4000110.5F784 Q786 G845F784-N847 PolarHBondContact O-N 3.48Å; Q786-N847 PolarHBondContact N-O 3.18Å; G845-N847 PolarHBondContact O-N 3.1Å
848Q51.5Low53.7Low68 Ų6881.6 Ų81.632%0.31846%0.462SS..EExtended strand (participates in β ladder)trans-102.9112.7174-165.4-167.370.100110.6F846 I850F846-Q848 HydrophobicContact CD1-CB 4.17Å; F846-Q848 HydrophobicContact CE1-CB 3.45Å; F846-Q848 VanDerWaalsContact CE1-CB 3.45Å; F846-Q848 HydrophobicContact CE1-CG 4.41Å; F846-Q848 HydrophobicContact CE2-CB 4.19Å; F846-Q848 HydrophobicContact CZ-CB 3.49Å; F846-Q848 VanDerWaalsContact CZ-CB 3.49Å; F846-Q848 HydrophobicContact CZ-CG 4.08Å; Q848-I850 HydrophobicContact CG-CD1 3.98Å; Q848-I850 HydrophobicContact CG-CG1 3.78Å
849S45.3Very low52.8Low65 Ų6579.9 Ų79.946%0.45545%0.452SS..EExtended strand (participates in β ladder)trans-103.379.9172.445.50000109.8Q786 Q851Q786-S849 PolarHBondContact O-N 3.14Å; Q786-S849 PolarHBondContact O-OG 3.39Å; S849-Q851 PolarHBondContact O-N 2.94Å
850I41.8Very low51.9Low52 Ų5277.4 Ų77.427%0.26744%0.437SS..  trans-86.4100.6169.2-67.1175.5000108.4Y811 Q848 L852Y811-I850 HydrophobicContact CE1-CD1 4.31Å; Y811-I850 WeakPolarHBondContact OH-CD1 3.25Å; Q848-I850 HydrophobicContact CG-CD1 3.98Å; Q848-I850 HydrophobicContact CG-CG1 3.78Å; I850-L852 VanDerWaalsContact C-N 3.26Å; I850-L852 HydrophobicContact CG2-CB 4.08Å; I850-L852 HydrophobicContact CG2-CD1 3.77Å; I850-L852 HydrophobicContact CG2-CG 3.51Å; I850-L852 PolarHBondContact O-N 2.74Å; I850-L852 VanDerWaalsContact O-N 3.11Å
851Q41.2Very low51.2Low139 Ų13982.5 Ų82.565%0.6545%0.454SS*.  trans-76.688152.6-82.1-159.9-15.200108.4S849 L853S849-Q851 PolarHBondContact O-N 2.94Å; Q851-L853 HydrophobicContact CB-CD1 4.47Å; Q851-L853 PolarHBondContact O-N 3.35Å
852L34.5Very low50.5Low144 Ų14485.2 Ų85.275%0.75447%0.465SS*.  trans-67.288.5157.8-91.6152.2000106I850 N854I850-L852 VanDerWaalsContact C-N 3.26Å; I850-L852 HydrophobicContact CG2-CB 4.08Å; I850-L852 HydrophobicContact CG2-CD1 3.77Å; I850-L852 HydrophobicContact CG2-CG 3.51Å; I850-L852 PolarHBondContact O-N 2.74Å; I850-L852 VanDerWaalsContact O-N 3.11Å; L852-N854 PolarHBondContact O-N 2.92Å
853L35.1Very low50.4Low65 Ų6582.4 Ų82.434%0.3445%0.447SS..  trans-64.795.5153-101.290.9000105.9Q851 T855 E944Q851-L853 HydrophobicContact CB-CD1 4.47Å; Q851-L853 PolarHBondContact O-N 3.35Å; L853-T855 VanDerWaalsContact C-N 3.3Å; L853-T855 PolarHBondContact O-N 3.05Å; L853-E944 HydrophobicContact CD2-CB 4.22Å; L853-E944 HydrophobicContact CD2-CG 3.29Å
854N33.2Very low50.5Low137 Ų13783.5 Ų83.573%0.73345%0.447SS*.  trans-55.5103.9162.5-171-3.1000106.2L852 G856L852-N854 PolarHBondContact O-N 2.92Å; N854-G856 PolarHBondContact O-N 3.2Å; N854-G856 PolarHBondContact OD1-N 2.94Å
855T35.5Very low50.8Low91 Ų9181.9 Ų81.956%0.55844%0.438SS*.THydrogen-bonded Turntrans-7020.9-17946.70000112.7L853 I857L853-T855 VanDerWaalsContact C-N 3.3Å; L853-T855 PolarHBondContact O-N 3.05Å; T855-I857 VanDerWaalsContact C-N 3.32Å
856G38Very low51.7Low53 Ų5381.9 Ų81.955%0.54643%0.433SS..THydrogen-bonded Turntrans-75.2-10.3168.900000115N854N854-G856 PolarHBondContact O-N 3.2Å; N854-G856 PolarHBondContact OD1-N 2.94Å
857I46.3Very low52.5Low59 Ų5981.6 Ų81.630%0.30344%0.436SS..SBendtrans-98.989.5170.9-51.2178.9000108.5T855 T859 L933 I935T855-I857 VanDerWaalsContact C-N 3.32Å; I857-T859 PolarHBondContact O-N 2.97Å; I857-T859 VanDerWaalsContact O-N 3.15Å; I857-L933 HydrophobicContact CG2-CB 4.47Å; I857-L933 HydrophobicContact CG2-CD2 4.04Å; I857-I935 HydrophobicContact CD1-CD1 3.91Å
858H48.2Very low53.6Low119 Ų11979.9 Ų79.955%0.55143%0.426SS*.  trans-62.9117.6178.7-65.5-50000111
859T54.3Low54.7Low32 Ų3279.3 Ų79.320%0.19643%0.427CS..  trans-51143.1164.521.70000110.4I857 K861 E944I857-T859 PolarHBondContact O-N 2.97Å; I857-T859 VanDerWaalsContact O-N 3.15Å; T859-K861 WeakPolarHBondContact O-CG 3.48Å; T859-K861 PolarHBondContact O-N 3.46Å; T859-E944 HydrophobicContact CG2-CB 4.33Å; T859-E944 WeakPolarHBondContact CG2-O 3.47Å
860P58.5Low56Low8 Ų878.7 Ų78.75%0.05242%0.422CS..  trans-55.8106.5173.6-21.431.6000109.7L862 I863 W877 Y892 M931P860-L862 PolarHBondContact O-N 3.02Å; P860-I863 HydrophobicContact CB-CD1 4.43Å; P860-I863 HydrophobicContact CB-CG1 4.03Å; P860-W877 HydrophobicContact CB-CB 4.23Å; P860-Y892 HydrophobicContact CG-CE1 4.22Å; P860-M931 HydrophobicContact CG-CE 4Å
861K56Low57.8Low171 Ų17179.4 Ų79.474%0.74343%0.43SS*.THydrogen-bonded Turntrans-77.40-174.8-69-172.2177.7177.60113.7T859T859-K861 WeakPolarHBondContact O-CG 3.48Å; T859-K861 PolarHBondContact O-N 3.46Å
862L62.1Low59.7Low119 Ų11973.3 Ų73.362%0.62340%0.402SS*.THydrogen-bonded Turntrans-136.751.5-171.5-72.9165.6000111.6P860 P878P860-L862 PolarHBondContact O-N 3.02Å; L862-P878 HydrophobicContact CB-CG 4.05Å; L862-P878 WeakPolarHBondContact O-CD 3.45Å
863I68.1Low61.9Low24 Ų2466.5 Ų66.512%0.12337%0.366CS..  trans-75.7125.7173.4-58.5164000108.3P860 I875 I876 W877 M931 S946 L949P860-I863 HydrophobicContact CB-CD1 4.43Å; P860-I863 HydrophobicContact CB-CG1 4.03Å; I863-I875 HydrophobicContact CG2-CG2 3.43Å; I863-I875 VanDerWaalsContact CG2-CG2 3.43Å; I863-I876 WeakPolarHBondContact CA-O 3.47Å; I863-W877 HydrophobicContact CG1-CB 4.29Å; I863-M931 HydrophobicContact CD1-CB 3.66Å; I863-M931 HydrophobicContact CD1-SD 4.48Å; I863-S946 WeakPolarHBondContact CD1-OG 3.48Å; I863-L949 HydrophobicContact CB-CD2 4.15Å; I863-L949 HydrophobicContact CG2-CD2 3.75Å; I863-L949 WeakPolarHBondContact O-CD2 3.25Å
864Q73.3Confident64.1Low97 Ų9764.3 Ų64.345%0.45336%0.356SS..EExtended strand (participates in β ladder)trans-117.3145.4178.3-65.3-174.5-5.700110.1I875 I876Q864-I875 CarbonylContact O-C 3.6Å; Q864-I875 WeakPolarHBondContact O-CA 3.39Å; Q864-I876 HydrophobicContact CB-CB 4.5Å; Q864-I876 PolarHBondContact N-O 2.7Å; Q864-I876 PolarHBondContact O-N 2.76Å
865I74.8Confident66.5Low41 Ų4157.8 Ų57.821%0.2132%0.321CS..EExtended strand (participates in β ladder)trans-113.4136.3174.8-57.4170.7000108.6I868 F873 V874 I929 L949 V951I865-I868 HydrophobicContact CG2-CD1 3.88Å; I865-I868 HydrophobicContact CG2-CG1 3.57Å; I865-F873 HydrophobicContact CG2-CB 3.8Å; I865-F873 HydrophobicContact CG2-CD2 4.02Å; I865-F873 HydrophobicContact CG2-CG 4.03Å; I865-V874 CarbonylContact C-O 3.6Å; I865-V874 WeakPolarHBondContact CA-O 3.3Å; I865-I929 HydrophobicContact CD1-CD1 3.35Å; I865-I929 HydrophobicContact CD1-CG1 4.47Å; I865-I929 HydrophobicContact CG1-CD1 4.01Å; I865-L949 HydrophobicContact CD1-CB 4.44Å; I865-L949 HydrophobicContact CD1-CD2 3.45Å; I865-L949 VanDerWaalsContact CD1-CD2 3.45Å; I865-L949 HydrophobicContact CD1-CG 3.67Å; I865-L949 HydrophobicContact CG1-CD2 3.49Å; I865-L949 VanDerWaalsContact CG1-CD2 3.49Å; I865-L949 HydrophobicContact CG1-CG 4.26Å; I865-V951 HydrophobicContact CD1-CB 3.58Å; I865-V951 HydrophobicContact CD1-CG1 4.1Å; I865-V951 HydrophobicContact CD1-CG2 4.19Å; I865-V951 HydrophobicContact CG2-CG2 4.05Å
866S76.7Confident68.6Low28 Ų2854.7 Ų54.720%0.19630%0.301CS..EExtended strand (participates in β ladder)trans-136.9167.1178.761.10000109.8I868 V874 I876S866-I868 PolarHBondContact O-N 2.91Å; S866-V874 PolarHBondContact N-O 3.48Å; S866-V874 WeakPolarHBondContact O-CA 3.37Å; S866-V874 WeakPolarHBondContact O-CB 2.95Å; S866-V874 PolarHBondContact O-N 2.86Å; S866-V874 PolarHBondContact OG-O 3.3Å; S866-I876 WeakPolarHBondContact OG-CD1 3.36Å
867N75Confident70.5Confident91 Ų9152.4 Ų52.449%0.48728%0.275SS..  trans51.644.5177.2-71.89.8000115.3T869 F873 V874N867-T869 PolarHBondContact O-N 3.02Å; N867-F873 WeakPolarHBondContact O-CA 3.41Å; N867-V874 HydrophobicContact CB-CB 4.29Å; N867-V874 HydrophobicContact CB-CG2 3.83Å
868I76.2Confident71.4Confident75 Ų7552.7 Ų52.739%0.38528%0.281SS..  trans-73.1122177.8-52.7160.1000110I865 S866 S872 F873 V951I865-I868 HydrophobicContact CG2-CD1 3.88Å; I865-I868 HydrophobicContact CG2-CG1 3.57Å; S866-I868 PolarHBondContact O-N 2.91Å; I868-S872 CarbonylContact C-O 3.59Å; I868-S872 WeakPolarHBondContact CA-O 3.08Å; I868-F873 HydrophobicContact CB-CB 4.23Å; I868-F873 HydrophobicContact CG1-CB 3.85Å; I868-F873 HydrophobicContact CG2-CB 4.39Å; I868-V951 HydrophobicContact CB-CG2 4.4Å; I868-V951 HydrophobicContact CD1-CG2 3.52Å; I868-V951 HydrophobicContact CG1-CG2 3.67Å; I868-V951 HydrophobicContact CG2-CG2 3.79Å
869T74.3Confident72.1Confident56 Ų5650.4 Ų50.434%0.34428%0.275SS..  trans-112.9178.9170.976.20000109.9N867 T871 S872 S954N867-T869 PolarHBondContact O-N 3.02Å; T869-T871 PolarHBondContact O-N 2.92Å; T869-T871 PolarHBondContact OG1-N 2.87Å; T869-S872 PolarHBondContact N-O 2.93Å; T869-S872 PolarHBondContact OG1-N 2.93Å; T869-S872 PolarHBondContact OG1-O 2.86Å; T869-S872 PolarHBondContact OG1-OG 3.12Å; T869-S954 PolarHBondContact O-N 3.46Å
870S72.9Confident72.1Confident51 Ų5151.3 Ų51.336%0.35728%0.281SS..SBendtrans-60.7-24.3171.6530000112.3A923 T953S870-A923 WeakPolarHBondContact O-CA 3.02Å; S870-A923 WeakPolarHBondContact O-CB 3.24Å; S870-A923 PolarHBondContact O-N 2.9Å; S870-T953 WeakPolarHBondContact O-CB 3.37Å
871T78.8Confident71.6Confident68 Ų6859.8 Ų59.842%0.41732%0.317SS..SBendtrans-1316.8-173.661.80000115.4T869 E919 N920 L921T869-T871 PolarHBondContact O-N 2.92Å; T869-T871 PolarHBondContact OG1-N 2.87Å; T871-E919 CarbonylContact O-C 3.42Å; T871-N920 PolarHBondContact O-N 3.05Å; T871-L921 VanDerWaalsContact CA-O 3.3Å; T871-L921 WeakPolarHBondContact CA-O 3.41Å; T871-L921 WeakPolarHBondContact CB-O 3.44Å; T871-L921 WeakPolarHBondContact CG2-O 3.31Å; T871-L921 WeakPolarHBondContact O-CB 3.2Å; T871-L921 PolarHBondContact O-N 3.36Å
872S81.1Confident71.2Confident11 Ų1155.1 Ų55.18%0.07730%0.303CS..  trans-158.9161-17871.90000112.5I868 T869 I918I868-S872 CarbonylContact C-O 3.59Å; I868-S872 WeakPolarHBondContact CA-O 3.08Å; T869-S872 PolarHBondContact N-O 2.93Å; T869-S872 PolarHBondContact OG1-N 2.93Å; T869-S872 PolarHBondContact OG1-O 2.86Å; T869-S872 PolarHBondContact OG1-OG 3.12Å; S872-I918 CarbonylContact C-O 3.6Å; S872-I918 WeakPolarHBondContact CA-O 3.39Å; S872-I918 WeakPolarHBondContact CB-O 3.37Å
873F81.8Confident69.9Low0 Ų057.2 Ų57.20%032%0.315CS..EExtended strand (participates in β ladder)trans-155.9164.3165.354.9-105.5000111.1I865 N867 I868 I875 L896 I918 L921 I929 V951 T953I865-F873 HydrophobicContact CG2-CB 3.8Å; I865-F873 HydrophobicContact CG2-CD2 4.02Å; I865-F873 HydrophobicContact CG2-CG 4.03Å; N867-F873 WeakPolarHBondContact O-CA 3.41Å; I868-F873 HydrophobicContact CB-CB 4.23Å; I868-F873 HydrophobicContact CG1-CB 3.85Å; I868-F873 HydrophobicContact CG2-CB 4.39Å; F873-I875 HydrophobicContact CD2-CG1 3.85Å; F873-I875 HydrophobicContact CE2-CD1 3.86Å; F873-I875 HydrophobicContact CE2-CG1 3.66Å; F873-L896 HydrophobicContact CE1-CD2 4.11Å; F873-L896 HydrophobicContact CE2-CD1 4.27Å; F873-L896 HydrophobicContact CZ-CD1 3.81Å; F873-L896 HydrophobicContact CZ-CD2 3.68Å; F873-L896 HydrophobicContact CZ-CG 3.92Å; F873-I918 HydrophobicContact CD2-CB 4.16Å; F873-I918 HydrophobicContact CD2-CG1 4.29Å; F873-I918 HydrophobicContact CE2-CB 3.73Å; F873-I918 HydrophobicContact CE2-CG1 3.68Å; F873-I918 HydrophobicContact CE2-CG2 4.27Å; F873-I918 HydrophobicContact CZ-CB 4.17Å; F873-I918 HydrophobicContact CZ-CG1 4.38Å; F873-I918 HydrophobicContact CZ-CG2 4.21Å; F873-I918 PolarHBondContact N-O 2.9Å; F873-I918 PolarHBondContact O-N 2.87Å; F873-L921 HydrophobicContact CD1-CD1 3.33Å; F873-L921 HydrophobicContact CE1-CD1 3.04Å; F873-L921 HydrophobicContact CE1-CG 4.49Å; F873-L921 HydrophobicContact CG-CD1 4.35Å; F873-L921 HydrophobicContact CZ-CD1 3.84Å; F873-I929 HydrophobicContact CD2-CD1 3.84Å; F873-I929 HydrophobicContact CE1-CD1 4.13Å; F873-I929 HydrophobicContact CE1-CG1 4.45Å; F873-I929 HydrophobicContact CE2-CD1 3.06Å; F873-I929 HydrophobicContact CE2-CG1 3.9Å; F873-I929 HydrophobicContact CZ-CD1 3.2Å; F873-I929 HydrophobicContact CZ-CG1 3.55Å; F873-V951 HydrophobicContact CD1-CB 4.36Å; F873-V951 HydrophobicContact CD1-CG1 3.48Å; F873-V951 VanDerWaalsContact CD1-CG1 3.48Å; F873-V951 HydrophobicContact CD1-CG2 3.97Å; F873-V951 HydrophobicContact CE1-CB 4.39Å; F873-V951 HydrophobicContact CE1-CG1 3.14Å; F873-V951 HydrophobicContact CE1-CG2 4.48Å; F873-V951 HydrophobicContact CE2-CG1 4.36Å; F873-V951 HydrophobicContact CG-CG1 4.19Å; F873-V951 HydrophobicContact CG-CG2 4.31Å; F873-V951 HydrophobicContact CZ-CG1 3.65Å; F873-T953 HydrophobicContact CD1-CG2 4.44Å
874V82.1Confident68.4Low19 Ų1960.2 Ų60.212%0.11535%0.351CS..EExtended strand (participates in β ladder)trans-110.6128.7177.5176.90000110.1I865 S866 N867 I876 E916 K917I865-V874 CarbonylContact C-O 3.6Å; I865-V874 WeakPolarHBondContact CA-O 3.3Å; S866-V874 PolarHBondContact N-O 3.48Å; S866-V874 WeakPolarHBondContact O-CA 3.37Å; S866-V874 WeakPolarHBondContact O-CB 2.95Å; S866-V874 PolarHBondContact O-N 2.86Å; S866-V874 PolarHBondContact OG-O 3.3Å; N867-V874 HydrophobicContact CB-CB 4.29Å; N867-V874 HydrophobicContact CB-CG2 3.83Å; V874-I876 HydrophobicContact CG1-CG1 4.27Å; V874-E916 CarbonylContact C-O 3.59Å; V874-E916 WeakPolarHBondContact CA-O 3.43Å; V874-K917 HydrophobicContact CG2-CB 3.94Å; V874-K917 HydrophobicContact CG2-CD 4.3Å; V874-K917 HydrophobicContact CG2-CG 3.75Å
875I82.3Confident66.5Low0 Ų058.9 Ų58.90%035%0.353CS..EExtended strand (participates in β ladder)trans-101138.5177.1-47.6166000108.9I863 Q864 F873 W877 I894 R915 E916 I918 I929 M931I863-I875 HydrophobicContact CG2-CG2 3.43Å; I863-I875 VanDerWaalsContact CG2-CG2 3.43Å; Q864-I875 CarbonylContact O-C 3.6Å; Q864-I875 WeakPolarHBondContact O-CA 3.39Å; F873-I875 HydrophobicContact CD2-CG1 3.85Å; F873-I875 HydrophobicContact CE2-CD1 3.86Å; F873-I875 HydrophobicContact CE2-CG1 3.66Å; I875-W877 HydrophobicContact CB-CE3 4.31Å; I875-W877 HydrophobicContact CB-CZ3 3.93Å; I875-W877 HydrophobicContact CG2-CE3 3.8Å; I875-W877 HydrophobicContact CG2-CZ3 3.87Å; I875-I894 HydrophobicContact CD1-CD1 3.8Å; I875-I894 HydrophobicContact CD1-CG2 3.63Å; I875-R915 CarbonylContact O-C 3.59Å; I875-R915 WeakPolarHBondContact O-CA 3.36Å; I875-E916 PolarHBondContact N-O 2.75Å; I875-E916 PolarHBondContact O-N 3Å; I875-I918 HydrophobicContact CD1-CD1 4.14Å; I875-I918 HydrophobicContact CD1-CG1 3.6Å; I875-I918 HydrophobicContact CG1-CG1 4.15Å; I875-I929 HydrophobicContact CD1-CD1 4.03Å; I875-I929 HydrophobicContact CD1-CG2 3.78Å; I875-I929 HydrophobicContact CG1-CD1 4Å; I875-M931 HydrophobicContact CG2-SD 4.24Å
876I80.1Confident64.9Low27 Ų2766.1 Ų66.114%0.13839%0.386CS..EExtended strand (participates in β ladder)trans-132.5137.9179.9-52.6174.3000108.8I863 Q864 S866 V874 F914 R915I863-I876 WeakPolarHBondContact CA-O 3.47Å; Q864-I876 HydrophobicContact CB-CB 4.5Å; Q864-I876 PolarHBondContact N-O 2.7Å; Q864-I876 PolarHBondContact O-N 2.76Å; S866-I876 WeakPolarHBondContact OG-CD1 3.36Å; V874-I876 HydrophobicContact CG1-CG1 4.27Å; I876-F914 CarbonylContact C-O 3.58Å; I876-F914 WeakPolarHBondContact CA-O 3.21Å; I876-F914 WeakPolarHBondContact CG2-O 3.34Å; I876-R915 HydrophobicContact CB-CB 4.35Å; I876-R915 HydrophobicContact CG1-CB 3.91Å; I876-R915 HydrophobicContact CG2-CB 4.33Å
877W77.9Confident63.2Low4 Ų470.3 Ų70.32%0.01540%0.401CS..  trans-150.1147.7179.358.493.3000112.2P860 I863 I875 Y892 I894 I909 V913 F914 E916 M931P860-W877 HydrophobicContact CB-CB 4.23Å; I863-W877 HydrophobicContact CG1-CB 4.29Å; I875-W877 HydrophobicContact CB-CE3 4.31Å; I875-W877 HydrophobicContact CB-CZ3 3.93Å; I875-W877 HydrophobicContact CG2-CE3 3.8Å; I875-W877 HydrophobicContact CG2-CZ3 3.87Å; W877-Y892 AromaticContact CD1-CE1 3.68Å; W877-Y892 AromaticContact CD1-CZ 3.75Å; W877-Y892 HydrophobicContact CZ2-CD2 4.12Å; W877-Y892 HydrophobicContact CZ2-CG 4.19Å; W877-Y892 AromaticContact NE1-CD1 3.7Å; W877-Y892 AromaticContact NE1-CD2 3.64Å; W877-Y892 AromaticContact NE1-CE1 3.42Å; W877-Y892 AromaticContact NE1-CE2 3.39Å; W877-Y892 AromaticContact NE1-CG 3.8Å; W877-Y892 AromaticContact NE1-CZ 3.3Å; W877-Y892 VanDerWaalsContact NE1-CZ 3.3Å; W877-I894 HydrophobicContact CH2-CD1 4.02Å; W877-I894 HydrophobicContact CZ3-CD1 4.19Å; W877-I909 HydrophobicContact CH2-CD1 3.79Å; W877-I909 HydrophobicContact CH2-CG2 4.43Å; W877-I909 HydrophobicContact CZ2-CD1 4.23Å; W877-I909 HydrophobicContact CZ2-CG2 4.01Å; W877-V913 PolarHBondContact NE1-O 3.19Å; W877-F914 PolarHBondContact N-O 2.83Å; W877-F914 WeakPolarHBondContact O-CA 3.3Å; W877-F914 WeakPolarHBondContact O-CB 3.38Å; W877-F914 VanDerWaalsContact O-O 3.12Å; W877-E916 HydrophobicContact CH2-CB 3.66Å; W877-E916 HydrophobicContact CZ3-CB 3.95Å; W877-M931 HydrophobicContact CB-CE 4.11Å; W877-M931 HydrophobicContact CD2-CE 3.28Å; W877-M931 HydrophobicContact CD2-SD 3.56Å; W877-M931 VanDerWaalsContact CD2-SD 3.56Å; W877-M931 VanDerWaalsContact CE2-CE 3.41Å; W877-M931 HydrophobicContact CE3-CE 3.82Å; W877-M931 HydrophobicContact CE3-SD 3.37Å; W877-M931 HydrophobicContact CG-CE 3.42Å; W877-M931 VanDerWaalsContact CG-CE 3.42Å; W877-M931 HydrophobicContact CG-SD 4.14Å; W877-M931 HydrophobicContact CH2-CE 4.42Å; W877-M931 HydrophobicContact CH2-SD 4.04Å; W877-M931 HydrophobicContact CZ2-CE 4Å; W877-M931 HydrophobicContact CZ2-SD 4.23Å; W877-M931 HydrophobicContact CZ3-CE 4.35Å; W877-M931 HydrophobicContact CZ3-SD 3.64Å
878P65.5Low61.8Low65 Ų6575.9 Ų75.942%0.42242%0.415SS..  trans-71.9142.6178.425.4-30.3000113.1L862 V880L862-P878 HydrophobicContact CB-CG 4.05Å; L862-P878 WeakPolarHBondContact O-CD 3.45Å; P878-V880 PolarHBondContact O-N 2.65Å
879V61.6Low60.6Low71 Ų7173.5 Ų73.543%0.4340%0.404SS..  trans-68.3125.3178.5-176.80000110.6K881 F914V879-K881 PolarHBondContact O-N 2.86Å; V879-F914 HydrophobicContact CG2-CB 3.79Å
880V55Low59.8Low51 Ų5172.5 Ų72.531%0.30940%0.399SS..  trans-82.6113.1179.8-172.30000110.1P878 L933P878-V880 PolarHBondContact O-N 2.65Å; V880-L933 HydrophobicContact CB-CD1 4.38Å; V880-L933 HydrophobicContact CG2-CD1 4.07Å
881K47.6Very low59.5Low187 Ų18770.9 Ų70.981%0.81339%0.387SS*.  trans-95.9119.5169.5-73.3-172.8177.7-1770109.7V879V879-K881 PolarHBondContact O-N 2.86Å
882T47.5Very low59.2Low73 Ų7367.7 Ų67.745%0.44837%0.368SS..  trans-89.3114.8175.2470000110.1V889T882-V889 HydrophobicContact CG2-CG2 4.42Å
883N35.9Very low59.1Low162 Ų16268 Ų6887%0.86637%0.368SS*.  trans-88.2118.5169-83.2-11.7000108.9
884G35.5Very low58.8Low87 Ų8768.1 Ų68.190%0.89737%0.368SS*.SBendtrans100.3-1153.900000119.7
885S34.1Very low58.5Low69 Ų6968.4 Ų68.448%0.48337%0.369SS..SBendtrans-134.9140171.956.70000110.9F887S885-F887 PolarHBondContact O-N 3.25Å
886Q42.2Very low58.1Low193 Ų19368.5 Ų68.590%0.90237%0.37SS*.SBendtrans-55.918.7-166.6-71.6-179.9-24.200118.4R888Q886-R888 PolarHBondContact O-N 2.86Å
887F40.5Very low57.7Low116 Ų11670.1 Ų70.151%0.50938%0.379SS..  trans-90.7105.6-176.3-60.9-75.2000111.9S885 V889 I935S885-F887 PolarHBondContact O-N 3.25Å; F887-V889 PolarHBondContact O-N 2.87Å; F887-I935 HydrophobicContact CB-CD1 4.3Å
888R44.6Very low57Low208 Ų20870.5 Ų70.579%0.78538%0.382SS*.  trans-76.1104.2166.9-82.3-169.1177.6-155.21.4109.7Q886 S890Q886-R888 PolarHBondContact O-N 2.86Å; R888-S890 PolarHBondContact O-N 3.48Å; R888-S890 PolarHBondContact O-OG 2.88Å
889V51.1Low56.6Low26 Ų2675.6 Ų75.616%0.15840%0.4CS..  trans-53.7126.8175.41780000111.1T882 F887 S911 L933T882-V889 HydrophobicContact CG2-CG2 4.42Å; F887-V889 PolarHBondContact O-N 2.87Å; V889-S911 VanDerWaalsContact O-CB 3.31Å; V889-S911 WeakPolarHBondContact O-CB 3.49Å; V889-S911 PolarHBondContact O-OG 2.79Å; V889-S911 VanDerWaalsContact O-OG 3.13Å; V889-L933 HydrophobicContact CB-CD2 4.41Å; V889-L933 HydrophobicContact CG1-CD1 4.08Å; V889-L933 HydrophobicContact CG1-CD2 3.6Å; V889-L933 HydrophobicContact CG1-CG 3.95Å; V889-L933 HydrophobicContact CG2-CD2 4.14Å
890S58.1Low56Low35 Ų3577 Ų7725%0.24540%0.397CS..  trans-106.2-43.9-167.4-45.80000115.4R888 V934 K936R888-S890 PolarHBondContact O-N 3.48Å; R888-S890 PolarHBondContact O-OG 2.88Å; S890-V934 PolarHBondContact N-O 2.78Å; S890-K936 PolarHBondContact OG-N 3.25Å
891T66.9Low55.5Low17 Ų1779.8 Ų79.810%0.10441%0.407CS..EExtended strand (participates in β ladder)trans-164.6154.2179.937.70000113.1N908 I909 V934T891-N908 HydrophobicContact CG2-CB 4.42Å; T891-I909 CarbonylContact C-O 3.48Å; T891-I909 WeakPolarHBondContact CA-O 3.41Å; T891-V934 PolarHBondContact N-O 3.33Å; T891-V934 WeakPolarHBondContact O-CA 3.14Å; T891-V934 PolarHBondContact O-N 2.97Å; T891-V934 VanDerWaalsContact O-O 3.13Å
892Y72.4Confident55.4Low1 Ų175.9 Ų75.90%0.00440%0.403CS..EExtended strand (participates in β ladder)trans-94.7144.2166.7-59.7-90.9000111.1P860 W877 I909 M931 R932 L933P860-Y892 HydrophobicContact CG-CE1 4.22Å; W877-Y892 AromaticContact CD1-CE1 3.68Å; W877-Y892 AromaticContact CD1-CZ 3.75Å; W877-Y892 HydrophobicContact CZ2-CD2 4.12Å; W877-Y892 HydrophobicContact CZ2-CG 4.19Å; W877-Y892 AromaticContact NE1-CD1 3.7Å; W877-Y892 AromaticContact NE1-CD2 3.64Å; W877-Y892 AromaticContact NE1-CE1 3.42Å; W877-Y892 AromaticContact NE1-CE2 3.39Å; W877-Y892 AromaticContact NE1-CG 3.8Å; W877-Y892 AromaticContact NE1-CZ 3.3Å; W877-Y892 VanDerWaalsContact NE1-CZ 3.3Å; Y892-I909 HydrophobicContact CD2-CG2 4.48Å; Y892-I909 PolarHBondContact N-O 2.81Å; Y892-I909 PolarHBondContact O-N 3.43Å; Y892-I909 VanDerWaalsContact O-N 3.1Å; Y892-M931 HydrophobicContact CD1-CE 3.48Å; Y892-M931 VanDerWaalsContact CD1-CE 3.48Å; Y892-M931 HydrophobicContact CE1-CE 4.04Å; Y892-M931 HydrophobicContact CG-CE 4.09Å; Y892-R932 WeakPolarHBondContact CA-O 3.04Å; Y892-L933 HydrophobicContact CD1-CD1 4.07Å; Y892-L933 HydrophobicContact CD1-CG 4.48Å; Y892-L933 HydrophobicContact CE1-CD1 3.5Å; Y892-L933 VanDerWaalsContact CE1-CD1 3.5Å; Y892-L933 HydrophobicContact CE1-CG 4.35Å
893E77.7Confident55.4Low18 Ų1876.3 Ų76.38%0.08440%0.403CS..EExtended strand (participates in β ladder)trans-115140.9168.8-78.2-175.3162.700110.6I906 M931 R932 V934 W945E893-I906 HydrophobicContact CG-CG2 3.93Å; E893-M931 WeakPolarHBondContact O-CA 3.26Å; E893-R932 HydrophobicContact CB-CG 3.96Å; E893-R932 PolarHBondContact N-O 3.19Å; E893-R932 PolarHBondContact O-N 2.98Å; E893-R932 IonicContact OE2-CZ 3.51Å; E893-R932 IonicContact OE2-NE 3.59Å; E893-R932 PolarHBondContact OE2-NE 2.6Å; E893-R932 IonicContact OE2-NH2 2.7Å; E893-R932 PolarHBondContact OE2-NH2 2.91Å; E893-V934 HydrophobicContact CB-CG2 4.05Å; E893-V934 HydrophobicContact CG-CG2 3.54Å; E893-W945 HydrophobicContact CB-CH2 4.29Å
894I77.2Confident56.1Low2 Ų274.1 Ų74.11%0.0139%0.39CS..EExtended strand (participates in β ladder)trans-119.7126.2-179.9-47.7-166.6000108.5I875 W877 L896 I909 E916 I918 I929 Q930 M931I875-I894 HydrophobicContact CD1-CD1 3.8Å; I875-I894 HydrophobicContact CD1-CG2 3.63Å; W877-I894 HydrophobicContact CH2-CD1 4.02Å; W877-I894 HydrophobicContact CZ3-CD1 4.19Å; I894-L896 HydrophobicContact CG2-CD1 4.02Å; I894-I909 HydrophobicContact CD1-CD1 3.49Å; I894-I909 VanDerWaalsContact CD1-CD1 3.49Å; I894-I909 HydrophobicContact CG1-CD1 3.97Å; I894-E916 HydrophobicContact CD1-CB 4.26Å; I894-E916 HydrophobicContact CD1-CG 4.34Å; I894-I918 HydrophobicContact CD1-CD1 4.39Å; I894-I929 HydrophobicContact CG2-CG2 3.84Å; I894-Q930 CarbonylContact C-O 3.6Å; I894-Q930 WeakPolarHBondContact CA-O 3.38Å; I894-M931 HydrophobicContact CB-CG 4.34Å; I894-M931 HydrophobicContact CD1-CG 4.25Å; I894-M931 HydrophobicContact CD1-SD 4.27Å; I894-M931 HydrophobicContact CG1-CG 3.71Å; I894-M931 HydrophobicContact CG1-SD 4.34Å; I894-M931 HydrophobicContact CG2-CG 4.45Å
895L75.8Confident56.9Low24 Ų2473.5 Ų73.513%0.12637%0.366CS..EExtended strand (participates in β ladder)trans-103126.2171.3173.768.4000108.3L904 I929 Q930 W945L895-L904 HydrophobicContact CD1-CD1 3.46Å; L895-L904 VanDerWaalsContact CD1-CD1 3.46Å; L895-I929 CarbonylContact O-C 3.59Å; L895-I929 VanDerWaalsContact O-CA 3.28Å; L895-I929 WeakPolarHBondContact O-CA 3.37Å; L895-Q930 HydrophobicContact CB-CB 4.25Å; L895-Q930 HydrophobicContact CD2-CB 4.37Å; L895-Q930 PolarHBondContact N-O 3.02Å; L895-Q930 PolarHBondContact O-N 3.12Å; L895-W945 HydrophobicContact CB-CD2 4.3Å; L895-W945 HydrophobicContact CB-CE3 3.87Å; L895-W945 HydrophobicContact CB-CH2 3.36Å; L895-W945 HydrophobicContact CB-CZ2 3.8Å; L895-W945 HydrophobicContact CB-CZ3 3.38Å; L895-W945 HydrophobicContact CD2-CD2 4.25Å; L895-W945 HydrophobicContact CD2-CZ2 4.19Å; L895-W945 HydrophobicContact CG-CH2 4.48Å; L895-W945 HydrophobicContact CG-CZ2 4.5Å
896L72.5Confident57.8Low3 Ų374.3 Ų74.32%0.01636%0.364CS..EExtended strand (participates in β ladder)trans-110.1127.4166.8-108.584.3000108.5F873 I894 L903 I918 L921 Y927 I929F873-L896 HydrophobicContact CE1-CD2 4.11Å; F873-L896 HydrophobicContact CE2-CD1 4.27Å; F873-L896 HydrophobicContact CZ-CD1 3.81Å; F873-L896 HydrophobicContact CZ-CD2 3.68Å; F873-L896 HydrophobicContact CZ-CG 3.92Å; I894-L896 HydrophobicContact CG2-CD1 4.02Å; L896-L903 CarbonylContact O-C 3.6Å; L896-I918 HydrophobicContact CD1-CD1 4.41Å; L896-I918 HydrophobicContact CD1-CG1 4.14Å; L896-I918 HydrophobicContact CD1-CG2 3.86Å; L896-I918 HydrophobicContact CD2-CG2 3.65Å; L896-I918 HydrophobicContact CG-CG2 4.41Å; L896-L921 HydrophobicContact CD2-CD1 3.98Å; L896-L921 HydrophobicContact CD2-CD2 3.21Å; L896-L921 HydrophobicContact CD2-CG 4.24Å; L896-Y927 HydrophobicContact CB-CD1 4.31Å; L896-Y927 HydrophobicContact CD2-CD1 3.64Å; L896-Y927 HydrophobicContact CD2-CE1 4Å; L896-Y927 HydrophobicContact CD2-CG 4.16Å; L896-Y927 HydrophobicContact CG-CD1 4.15Å; L896-I929 HydrophobicContact CD1-CG1 4.17Å; L896-I929 HydrophobicContact CD1-CG2 4.38Å; L896-I929 HydrophobicContact CG-CG1 4.33Å
897N71.4Confident58.4Low61 Ų6169.2 Ų69.233%0.32634%0.339SS..EExtended strand (participates in β ladder)trans-127.6138.5177.4-138.71.4000109.8Y927 T928N897-Y927 CarbonylContact O-C 3.45Å; N897-Y927 VanDerWaalsContact O-CA 3.23Å; N897-Y927 WeakPolarHBondContact O-CA 3.38Å; N897-T928 PolarHBondContact N-O 3.39Å; N897-T928 PolarHBondContact O-N 3.14Å
898S64.4Low59.4Low11 Ų1167.9 Ų67.98%0.07734%0.337CS..EExtended strand (participates in β ladder)trans-124.9149.7179127.50000109R900 Q901 T925S898-R900 PolarHBondContact O-N 3.43Å; S898-R900 PolarHBondContact OG-N 2.89Å; S898-Q901 VanDerWaalsContact CB-O 3.28Å; S898-Q901 WeakPolarHBondContact CB-O 3.42Å; S898-Q901 PolarHBondContact N-O 3.05Å; S898-Q901 PolarHBondContact OG-N 2.92Å; S898-Q901 VanDerWaalsContact OG-N 3.1Å; S898-Q901 PolarHBondContact OG-O 2.77Å; S898-T925 WeakPolarHBondContact OG-CG2 3.5Å
899Q56.9Low60.3Low173 Ų17358.4 Ų58.481%0.80830%0.302SS*.SBendtrans-63.6-7.8175.5-69.6-158.3-26.700113.9
900R48.9Very low60.9Low100 Ų10060 Ų6038%0.37731%0.314SS..SBendtrans-115.4-27.8-174.9-67.2170.3168.2-69.2-57.6113.8S898 S985 A986S898-R900 PolarHBondContact O-N 3.43Å; S898-R900 PolarHBondContact OG-N 2.89Å; R900-S985 VanDerWaalsContact NH1-C 3.31Å; R900-S985 PolarHBondContact NH1-OG 3.37Å; R900-S985 PolarHBondContact NH2-O 3.39Å; R900-A986 VanDerWaalsContact NH1-CA 3.25Å
901Q45.4Very low61Low110 Ų11060.1 Ų60.151%0.51432%0.315SS..  trans-154.1129.2-178.4-89.5179.8-21.300109.9S898 L903S898-Q901 VanDerWaalsContact CB-O 3.28Å; S898-Q901 WeakPolarHBondContact CB-O 3.42Å; S898-Q901 PolarHBondContact N-O 3.05Å; S898-Q901 PolarHBondContact OG-N 2.92Å; S898-Q901 VanDerWaalsContact OG-N 3.1Å; S898-Q901 PolarHBondContact OG-O 2.77Å; Q901-L903 PolarHBondContact O-N 3.14Å
902S45.4Very low60.7Low105 Ų10567.1 Ų67.173%0.73435%0.347SS*.  trans-85.395.1171.6-36.90000109
903L46.2Very low60.4Low82 Ų8269.5 Ų69.543%0.42936%0.361SS..  trans-104.496179.6-104.7153.4000110L896 Q901 L905L896-L903 CarbonylContact O-C 3.6Å; Q901-L903 PolarHBondContact O-N 3.14Å; L903-L905 VanDerWaalsContact C-N 3.34Å; L903-L905 PolarHBondContact O-N 2.9Å
904L52Low60.3Low116 Ų11673.4 Ų73.461%0.60738%0.378SS*.  trans-72.183.8175.4-164.984.4000110.6L895 I906L895-L904 HydrophobicContact CD1-CD1 3.46Å; L895-L904 VanDerWaalsContact CD1-CD1 3.46Å; L904-I906 HydrophobicContact CD2-CD1 3.66Å; L904-I906 HydrophobicContact CD2-CG1 3.84Å; L904-I906 HydrophobicContact CG-CD1 4.19Å; L904-I906 HydrophobicContact CG-CG1 3.8Å; L904-I906 PolarHBondContact O-N 3.18Å
905L50.6Low60.5Low74 Ų7478.6 Ų78.639%0.38740%0.397SS..  trans-87.979.1173.6-163.384.7000110.7L903 K907 I918L903-L905 VanDerWaalsContact C-N 3.34Å; L903-L905 PolarHBondContact O-N 2.9Å; L905-K907 PolarHBondContact O-N 2.81Å; L905-I918 HydrophobicContact CD2-CD1 4.33Å; L905-I918 HydrophobicContact CD2-CG2 4.22Å
906I54.3Low60.8Low86 Ų8679.4 Ų79.444%0.44140%0.401SS..  trans-71.1102.2174.9-53.7-177.8000109.3E893 L904E893-I906 HydrophobicContact CG-CG2 3.93Å; L904-I906 HydrophobicContact CD2-CD1 3.66Å; L904-I906 HydrophobicContact CD2-CG1 3.84Å; L904-I906 HydrophobicContact CG-CD1 4.19Å; L904-I906 HydrophobicContact CG-CG1 3.8Å; L904-I906 PolarHBondContact O-N 3.18Å
907K55.2Low61.3Low85 Ų8583.8 Ų83.837%0.3742%0.419SS..  trans-101.2110.3169.5-135.5175.4-172.2-179.50108.4L905 I909 E916 K917L905-K907 PolarHBondContact O-N 2.81Å; K907-I909 HydrophobicContact CB-CD1 4.32Å; K907-I909 HydrophobicContact CB-CG1 4.33Å; K907-I909 PolarHBondContact O-N 2.88Å; K907-E916 HydrophobicContact CD-CG 3.96Å; K907-E916 WeakPolarHBondContact CD-OE1 3.49Å; K907-E916 VanDerWaalsContact CE-OE1 3.26Å; K907-E916 WeakPolarHBondContact CE-OE1 2.91Å; K907-E916 IonicContact NZ-OE1 2.73Å; K907-E916 PolarHBondContact NZ-OE1 2.78Å; K907-K917 PolarHBondContact NZ-O 2.78Å
908N61Low61.7Low89 Ų8980.9 Ų80.948%0.47640%0.404SS..  trans-78.3107.4176.5-84.1-36.9000109.9T891T891-N908 HydrophobicContact CG2-CB 4.42Å
909I63.3Low62.4Low9 Ų985.2 Ų85.25%0.04642%0.423CS..EExtended strand (participates in β ladder)trans-110.7128.5-171.6-62161.3000109.3W877 T891 Y892 I894 K907 V913 E916W877-I909 HydrophobicContact CH2-CD1 3.79Å; W877-I909 HydrophobicContact CH2-CG2 4.43Å; W877-I909 HydrophobicContact CZ2-CD1 4.23Å; W877-I909 HydrophobicContact CZ2-CG2 4.01Å; T891-I909 CarbonylContact C-O 3.48Å; T891-I909 WeakPolarHBondContact CA-O 3.41Å; Y892-I909 HydrophobicContact CD2-CG2 4.48Å; Y892-I909 PolarHBondContact N-O 2.81Å; Y892-I909 PolarHBondContact O-N 3.43Å; Y892-I909 VanDerWaalsContact O-N 3.1Å; I894-I909 HydrophobicContact CD1-CD1 3.49Å; I894-I909 VanDerWaalsContact CD1-CD1 3.49Å; I894-I909 HydrophobicContact CG1-CD1 3.97Å; K907-I909 HydrophobicContact CB-CD1 4.32Å; K907-I909 HydrophobicContact CB-CG1 4.33Å; K907-I909 PolarHBondContact O-N 2.88Å; I909-V913 HydrophobicContact CG2-CB 3.48Å; I909-V913 VanDerWaalsContact CG2-CB 3.48Å; I909-V913 HydrophobicContact CG2-CG1 3.56Å; I909-V913 HydrophobicContact CG2-CG2 4.21Å; I909-E916 HydrophobicContact CD1-CB 3.78Å; I909-E916 HydrophobicContact CD1-CG 3.58Å; I909-E916 HydrophobicContact CG1-CG 4.41Å
910S64.1Low63.2Low60 Ų6084.2 Ų84.242%0.4242%0.423SS..EExtended strand (participates in β ladder)trans-53.6146.3-180167.20000112E912 V913S910-E912 PolarHBondContact O-N 2.98Å; S910-E912 PolarHBondContact OG-N 3.08Å; S910-V913 PolarHBondContact O-N 2.91Å
911S59Low64.4Low37 Ų3780.2 Ų80.226%0.25941%0.409SS..THydrogen-bonded Turntrans-61.4-14.3-179550000114.6V889V889-S911 VanDerWaalsContact O-CB 3.31Å; V889-S911 WeakPolarHBondContact O-CB 3.49Å; V889-S911 PolarHBondContact O-OG 2.79Å; V889-S911 VanDerWaalsContact O-OG 3.13Å
912E61.8Low65.3Low164 Ų16477.6 Ų77.677%0.76640%0.401SS*.THydrogen-bonded Turntrans-87.4-11.9175-60.4-169.8171.600114.2S910S910-E912 PolarHBondContact O-N 2.98Å; S910-E912 PolarHBondContact OG-N 3.08Å
913V64.7Low66Low51 Ų5173.5 Ų73.531%0.30937%0.374SS..  trans-91.8132.3-175.2179.10000110.4W877 I909 S910 R915W877-V913 PolarHBondContact NE1-O 3.19Å; I909-V913 HydrophobicContact CG2-CB 3.48Å; I909-V913 VanDerWaalsContact CG2-CB 3.48Å; I909-V913 HydrophobicContact CG2-CG1 3.56Å; I909-V913 HydrophobicContact CG2-CG2 4.21Å; S910-V913 PolarHBondContact O-N 2.91Å; V913-R915 VanDerWaalsContact CG1-O 3.28Å; V913-R915 WeakPolarHBondContact CG1-O 3.21Å
914F76.3Confident66.9Low100 Ų10070.7 Ų70.744%0.43936%0.36SS..  trans-119.16.9-174.466.9-92.4000113.7I876 W877 V879I876-F914 CarbonylContact C-O 3.58Å; I876-F914 WeakPolarHBondContact CA-O 3.21Å; I876-F914 WeakPolarHBondContact CG2-O 3.34Å; W877-F914 PolarHBondContact N-O 2.83Å; W877-F914 WeakPolarHBondContact O-CA 3.3Å; W877-F914 WeakPolarHBondContact O-CB 3.38Å; W877-F914 VanDerWaalsContact O-O 3.12Å; V879-F914 HydrophobicContact CG2-CB 3.79Å
915R81Confident67.4Low110 Ų11065.3 Ų65.342%0.41533%0.332SS..EExtended strand (participates in β ladder)trans-154.9148.5174.370.7177.4-164.2-114-6.4112.7I875 I876 V913I875-R915 CarbonylContact O-C 3.59Å; I875-R915 WeakPolarHBondContact O-CA 3.36Å; I876-R915 HydrophobicContact CB-CB 4.35Å; I876-R915 HydrophobicContact CG1-CB 3.91Å; I876-R915 HydrophobicContact CG2-CB 4.33Å; V913-R915 VanDerWaalsContact CG1-O 3.28Å; V913-R915 WeakPolarHBondContact CG1-O 3.21Å
916E82.1Confident68.4Low42 Ų4264.1 Ų64.120%0.19633%0.326CS..EExtended strand (participates in β ladder)trans-147.9144.3-179.4-172.859-136.700113V874 I875 W877 I894 K907 I909 I918V874-E916 CarbonylContact C-O 3.59Å; V874-E916 WeakPolarHBondContact CA-O 3.43Å; I875-E916 PolarHBondContact N-O 2.75Å; I875-E916 PolarHBondContact O-N 3Å; W877-E916 HydrophobicContact CH2-CB 3.66Å; W877-E916 HydrophobicContact CZ3-CB 3.95Å; I894-E916 HydrophobicContact CD1-CB 4.26Å; I894-E916 HydrophobicContact CD1-CG 4.34Å; K907-E916 HydrophobicContact CD-CG 3.96Å; K907-E916 WeakPolarHBondContact CD-OE1 3.49Å; K907-E916 VanDerWaalsContact CE-OE1 3.26Å; K907-E916 WeakPolarHBondContact CE-OE1 2.91Å; K907-E916 IonicContact NZ-OE1 2.73Å; K907-E916 PolarHBondContact NZ-OE1 2.78Å; I909-E916 HydrophobicContact CD1-CB 3.78Å; I909-E916 HydrophobicContact CD1-CG 3.58Å; I909-E916 HydrophobicContact CG1-CG 4.41Å; E916-I918 HydrophobicContact CG-CD1 4.4Å
917K83Confident69.4Low94 Ų9460 Ų6041%0.40931%0.305SS..EExtended strand (participates in β ladder)trans-100.4129.5174.7-170.7179.3-177.9-154.80111V874 K907 E919V874-K917 HydrophobicContact CG2-CB 3.94Å; V874-K917 HydrophobicContact CG2-CD 4.3Å; V874-K917 HydrophobicContact CG2-CG 3.75Å; K907-K917 PolarHBondContact NZ-O 2.78Å; K917-E919 HydrophobicContact CD-CG 4.18Å; K917-E919 VanDerWaalsContact CD-OE1 3.31Å; K917-E919 WeakPolarHBondContact CD-OE1 3.11Å; K917-E919 WeakPolarHBondContact CE-OE1 3.24Å; K917-E919 HydrophobicContact CG-CG 4.05Å; K917-E919 IonicContact NZ-OE1 2.72Å; K917-E919 PolarHBondContact NZ-OE1 3.36Å
918I79.2Confident70.5Confident1 Ų157.7 Ų57.71%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-108.1127.9175.9-52.5-62.1000109S872 F873 I875 I894 L896 L905 E916 L921S872-I918 CarbonylContact C-O 3.6Å; S872-I918 WeakPolarHBondContact CA-O 3.39Å; S872-I918 WeakPolarHBondContact CB-O 3.37Å; F873-I918 HydrophobicContact CD2-CB 4.16Å; F873-I918 HydrophobicContact CD2-CG1 4.29Å; F873-I918 HydrophobicContact CE2-CB 3.73Å; F873-I918 HydrophobicContact CE2-CG1 3.68Å; F873-I918 HydrophobicContact CE2-CG2 4.27Å; F873-I918 HydrophobicContact CZ-CB 4.17Å; F873-I918 HydrophobicContact CZ-CG1 4.38Å; F873-I918 HydrophobicContact CZ-CG2 4.21Å; F873-I918 PolarHBondContact N-O 2.9Å; F873-I918 PolarHBondContact O-N 2.87Å; I875-I918 HydrophobicContact CD1-CD1 4.14Å; I875-I918 HydrophobicContact CD1-CG1 3.6Å; I875-I918 HydrophobicContact CG1-CG1 4.15Å; I894-I918 HydrophobicContact CD1-CD1 4.39Å; L896-I918 HydrophobicContact CD1-CD1 4.41Å; L896-I918 HydrophobicContact CD1-CG1 4.14Å; L896-I918 HydrophobicContact CD1-CG2 3.86Å; L896-I918 HydrophobicContact CD2-CG2 3.65Å; L896-I918 HydrophobicContact CG-CG2 4.41Å; L905-I918 HydrophobicContact CD2-CD1 4.33Å; L905-I918 HydrophobicContact CD2-CG2 4.22Å; E916-I918 HydrophobicContact CG-CD1 4.4Å; I918-L921 HydrophobicContact CG2-CD1 4.18Å; I918-L921 HydrophobicContact CG2-CD2 4.02Å; I918-L921 HydrophobicContact CG2-CG 4.38Å
919E80.3Confident71.3Confident101 Ų10153.5 Ų53.547%0.47228%0.275SS..  trans-126.7172.6-174.3-56.9-177.4149.200110.6T871 K917T871-E919 CarbonylContact O-C 3.42Å; K917-E919 HydrophobicContact CD-CG 4.18Å; K917-E919 VanDerWaalsContact CD-OE1 3.31Å; K917-E919 WeakPolarHBondContact CD-OE1 3.11Å; K917-E919 WeakPolarHBondContact CE-OE1 3.24Å; K917-E919 HydrophobicContact CG-CG 4.05Å; K917-E919 IonicContact NZ-OE1 2.72Å; K917-E919 PolarHBondContact NZ-OE1 3.36Å
920N73.3Confident72.1Confident152 Ų15255 Ų5581%0.81328%0.282SS*.SBendtrans6543178.9-61.5-25.9000116.3T871T871-N920 PolarHBondContact O-N 3.05Å
921L74.2Confident72.8Confident16 Ų1652.2 Ų52.28%0.08426%0.262CS..PPolyproline II helixtrans-97.1149.2-178.4-54.7-178.3000113.1T871 F873 L896 I918 Y927 T953T871-L921 VanDerWaalsContact CA-O 3.3Å; T871-L921 WeakPolarHBondContact CA-O 3.41Å; T871-L921 WeakPolarHBondContact CB-O 3.44Å; T871-L921 WeakPolarHBondContact CG2-O 3.31Å; T871-L921 WeakPolarHBondContact O-CB 3.2Å; T871-L921 PolarHBondContact O-N 3.36Å; F873-L921 HydrophobicContact CD1-CD1 3.33Å; F873-L921 HydrophobicContact CE1-CD1 3.04Å; F873-L921 HydrophobicContact CE1-CG 4.49Å; F873-L921 HydrophobicContact CG-CD1 4.35Å; F873-L921 HydrophobicContact CZ-CD1 3.84Å; L896-L921 HydrophobicContact CD2-CD1 3.98Å; L896-L921 HydrophobicContact CD2-CD2 3.21Å; L896-L921 HydrophobicContact CD2-CG 4.24Å; I918-L921 HydrophobicContact CG2-CD1 4.18Å; I918-L921 HydrophobicContact CG2-CD2 4.02Å; I918-L921 HydrophobicContact CG2-CG 4.38Å; L921-Y927 WeakPolarHBondContact CA-OH 3.47Å; L921-Y927 HydrophobicContact CB-CD2 4.28Å; L921-Y927 HydrophobicContact CB-CE2 3.55Å; L921-Y927 HydrophobicContact CD1-CD2 4.36Å; L921-Y927 HydrophobicContact CD1-CE2 4.39Å; L921-Y927 HydrophobicContact CD2-CD1 4.44Å; L921-Y927 HydrophobicContact CD2-CE1 3.93Å; L921-Y927 HydrophobicContact CD2-CE2 4.2Å; L921-Y927 HydrophobicContact CG-CE2 4.27Å; L921-T953 HydrophobicContact CB-CG2 3.88Å; L921-T953 HydrophobicContact CD1-CG2 3.91Å
922T65.1Low73.5Confident55 Ų5553.5 Ų53.534%0.33726%0.262SS..PPolyproline II helixtrans-71.8134171.8-6.70000109.5T925 Y927 T953T922-T925 VanDerWaalsContact O-CB 3.27Å; T922-T925 WeakPolarHBondContact O-CB 3.36Å; T922-T925 PolarHBondContact O-OG1 3.16Å; T922-Y927 PolarHBondContact N-OH 3.33Å; T922-Y927 VanDerWaalsContact O-CE2 3.31Å; T922-Y927 WeakPolarHBondContact O-CE2 2.79Å; T922-Y927 PolarHBondContact OG1-OH 3.16Å; T922-T953 PolarHBondContact O-OG1 2.6Å
923A60Low73.9Confident20 Ų2045.8 Ų45.817%0.16523%0.226CC..THydrogen-bonded Turntrans-84.4161.6-175.400000111.8S870 T925S870-A923 WeakPolarHBondContact O-CA 3.02Å; S870-A923 WeakPolarHBondContact O-CB 3.24Å; S870-A923 PolarHBondContact O-N 2.9Å; A923-T925 PolarHBondContact O-N 3.36Å; A923-T925 VanDerWaalsContact O-N 3.09Å; A923-T925 PolarHBondContact O-OG1 3.35Å
924C63.9Low74.1Confident22 Ų2243.4 Ų43.415%0.14921%0.211CC..THydrogen-bonded Turntrans51.527.3-168.9-162.30000113.5F952 T953 S954 I955 S956 F987C924-F952 VanDerWaalsContact C-CE2 3.44Å; C924-F952 HydrophobicContact CB-CZ 4.49Å; C924-F952 WeakPolarHBondContact O-CE2 3.36Å; C924-T953 PolarHBondContact N-O 3.08Å; C924-S954 PolarHBondContact N-O 2.85Å; C924-I955 HydrophobicContact CB-CB 4.45Å; C924-I955 HydrophobicContact CB-CG1 4.41Å; C924-S956 VanDerWaalsContact N-N 3.19Å; C924-F987 HydrophobicContact CB-CE1 4.43Å; C924-F987 HydrophobicContact CB-CZ 3.75Å
925T62.1Low73.4Confident4 Ų439.4 Ų39.43%0.02519%0.194CC..  trans-118.3124.2-172.7-57.90000107.7S898 T922 A923 Y927 T953S898-T925 WeakPolarHBondContact OG-CG2 3.5Å; T922-T925 VanDerWaalsContact O-CB 3.27Å; T922-T925 WeakPolarHBondContact O-CB 3.36Å; T922-T925 PolarHBondContact O-OG1 3.16Å; A923-T925 PolarHBondContact O-N 3.36Å; A923-T925 VanDerWaalsContact O-N 3.09Å; A923-T925 PolarHBondContact O-OG1 3.35Å; T925-Y927 HydrophobicContact CG2-CD2 4.36Å; T925-Y927 HydrophobicContact CG2-CE2 4.09Å; T925-Y927 WeakPolarHBondContact O-CD2 3.48Å; T925-Y927 PolarHBondContact O-N 3.42Å; T925-T953 PolarHBondContact N-OG1 2.82Å; T925-T953 VanDerWaalsContact N-OG1 3.08Å; T925-T953 PolarHBondContact O-N 2.9Å; T925-T953 VanDerWaalsContact O-N 3.11Å; T925-T953 PolarHBondContact O-OG1 2.88Å
926I72.5Confident72.1Confident48 Ų4840.4 Ų40.425%0.24620%0.202CC..EExtended strand (participates in β ladder)trans-69.8109.5171.3-62.6173.9000105.9T950 F952I926-T950 HydrophobicContact CG2-CG2 3.34Å; I926-F952 HydrophobicContact CB-CD2 4.48Å; I926-F952 HydrophobicContact CG1-CD2 3.5Å; I926-F952 VanDerWaalsContact CG1-CD2 3.5Å; I926-F952 HydrophobicContact CG1-CE2 4.06Å; I926-F952 HydrophobicContact CG1-CG 4.41Å
927Y75.4Confident70.4Confident1 Ų143.9 Ų43.90%0.00422%0.218CC..EExtended strand (participates in β ladder)trans-91.8123.2166.4-80.2-83.2000109.2L896 N897 L921 T922 T925 T950 V951 T953L896-Y927 HydrophobicContact CB-CD1 4.31Å; L896-Y927 HydrophobicContact CD2-CD1 3.64Å; L896-Y927 HydrophobicContact CD2-CE1 4Å; L896-Y927 HydrophobicContact CD2-CG 4.16Å; L896-Y927 HydrophobicContact CG-CD1 4.15Å; N897-Y927 CarbonylContact O-C 3.45Å; N897-Y927 VanDerWaalsContact O-CA 3.23Å; N897-Y927 WeakPolarHBondContact O-CA 3.38Å; L921-Y927 WeakPolarHBondContact CA-OH 3.47Å; L921-Y927 HydrophobicContact CB-CD2 4.28Å; L921-Y927 HydrophobicContact CB-CE2 3.55Å; L921-Y927 HydrophobicContact CD1-CD2 4.36Å; L921-Y927 HydrophobicContact CD1-CE2 4.39Å; L921-Y927 HydrophobicContact CD2-CD1 4.44Å; L921-Y927 HydrophobicContact CD2-CE1 3.93Å; L921-Y927 HydrophobicContact CD2-CE2 4.2Å; L921-Y927 HydrophobicContact CG-CE2 4.27Å; T922-Y927 PolarHBondContact N-OH 3.33Å; T922-Y927 VanDerWaalsContact O-CE2 3.31Å; T922-Y927 WeakPolarHBondContact O-CE2 2.79Å; T922-Y927 PolarHBondContact OG1-OH 3.16Å; T925-Y927 HydrophobicContact CG2-CD2 4.36Å; T925-Y927 HydrophobicContact CG2-CE2 4.09Å; T925-Y927 WeakPolarHBondContact O-CD2 3.48Å; T925-Y927 PolarHBondContact O-N 3.42Å; Y927-T950 CarbonylContact O-C 3.6Å; Y927-T950 WeakPolarHBondContact O-CA 3.1Å; Y927-V951 PolarHBondContact N-O 2.91Å; Y927-V951 PolarHBondContact O-N 3.39Å; Y927-T953 HydrophobicContact CD2-CG2 3.55Å; Y927-T953 HydrophobicContact CE2-CG2 3.84Å
928T78Confident68.3Low35 Ų3547.8 Ų47.822%0.21523%0.231CC..EExtended strand (participates in β ladder)trans-89.2111.5169.4-460000107.7N897 P948 T950N897-T928 PolarHBondContact N-O 3.39Å; N897-T928 PolarHBondContact O-N 3.14Å; T928-P948 HydrophobicContact CG2-CB 3.15Å; T928-P948 HydrophobicContact CG2-CG 4.46Å; T928-T950 HydrophobicContact CG2-CG2 4.23Å
929I79.2Confident66.5Low2 Ų256.8 Ų56.81%0.0127%0.273CS..EExtended strand (participates in β ladder)trans-94.9135.5175.4-51.4172.4000108.9I865 F873 I875 I894 L895 L896 P948 L949 V951I865-I929 HydrophobicContact CD1-CD1 3.35Å; I865-I929 HydrophobicContact CD1-CG1 4.47Å; I865-I929 HydrophobicContact CG1-CD1 4.01Å; F873-I929 HydrophobicContact CD2-CD1 3.84Å; F873-I929 HydrophobicContact CE1-CD1 4.13Å; F873-I929 HydrophobicContact CE1-CG1 4.45Å; F873-I929 HydrophobicContact CE2-CD1 3.06Å; F873-I929 HydrophobicContact CE2-CG1 3.9Å; F873-I929 HydrophobicContact CZ-CD1 3.2Å; F873-I929 HydrophobicContact CZ-CG1 3.55Å; I875-I929 HydrophobicContact CD1-CD1 4.03Å; I875-I929 HydrophobicContact CD1-CG2 3.78Å; I875-I929 HydrophobicContact CG1-CD1 4Å; I894-I929 HydrophobicContact CG2-CG2 3.84Å; L895-I929 CarbonylContact O-C 3.59Å; L895-I929 VanDerWaalsContact O-CA 3.28Å; L895-I929 WeakPolarHBondContact O-CA 3.37Å; L896-I929 HydrophobicContact CD1-CG1 4.17Å; L896-I929 HydrophobicContact CD1-CG2 4.38Å; L896-I929 HydrophobicContact CG-CG1 4.33Å; I929-P948 WeakPolarHBondContact O-CA 3.46Å; I929-L949 PolarHBondContact N-O 2.88Å; I929-L949 PolarHBondContact O-N 2.94Å; I929-V951 HydrophobicContact CD1-CB 4.49Å; I929-V951 HydrophobicContact CD1-CG1 3.75Å; I929-V951 HydrophobicContact CG1-CG1 3.94Å
930Q78.5Confident65.1Low41 Ų4156.5 Ų56.519%0.19228%0.279CS..EExtended strand (participates in β ladder)trans-130.2147.6166.3-66.1178.4-79.200109.3I894 L895 W945 S946 P948I894-Q930 CarbonylContact C-O 3.6Å; I894-Q930 WeakPolarHBondContact CA-O 3.38Å; L895-Q930 HydrophobicContact CB-CB 4.25Å; L895-Q930 HydrophobicContact CD2-CB 4.37Å; L895-Q930 PolarHBondContact N-O 3.02Å; L895-Q930 PolarHBondContact O-N 3.12Å; Q930-W945 VanDerWaalsContact C-CE3 3.42Å; Q930-W945 HydrophobicContact CB-CB 3.87Å; Q930-W945 HydrophobicContact CB-CD2 3.9Å; Q930-W945 HydrophobicContact CB-CE3 3.49Å; Q930-W945 VanDerWaalsContact CB-CE3 3.49Å; Q930-W945 HydrophobicContact CB-CG 4.1Å; Q930-W945 HydrophobicContact CB-CZ3 4.35Å; Q930-W945 HydrophobicContact CG-CB 4.32Å; Q930-W945 VanDerWaalsContact O-CZ3 3.31Å; Q930-W945 WeakPolarHBondContact O-CZ3 2.82Å; Q930-S946 PolarHBondContact NE2-O 2.71Å; Q930-P948 HydrophobicContact CG-CB 4Å
931M78.5Confident64Low0 Ų053 Ų530%026%0.263CS..EExtended strand (participates in β ladder)trans-129.9137.1-179.6-126.5-176.877.400109.6P860 I863 I875 W877 Y892 E893 I894 S946P860-M931 HydrophobicContact CG-CE 4Å; I863-M931 HydrophobicContact CD1-CB 3.66Å; I863-M931 HydrophobicContact CD1-SD 4.48Å; I875-M931 HydrophobicContact CG2-SD 4.24Å; W877-M931 HydrophobicContact CB-CE 4.11Å; W877-M931 HydrophobicContact CD2-CE 3.28Å; W877-M931 HydrophobicContact CD2-SD 3.56Å; W877-M931 VanDerWaalsContact CD2-SD 3.56Å; W877-M931 VanDerWaalsContact CE2-CE 3.41Å; W877-M931 HydrophobicContact CE3-CE 3.82Å; W877-M931 HydrophobicContact CE3-SD 3.37Å; W877-M931 HydrophobicContact CG-CE 3.42Å; W877-M931 VanDerWaalsContact CG-CE 3.42Å; W877-M931 HydrophobicContact CG-SD 4.14Å; W877-M931 HydrophobicContact CH2-CE 4.42Å; W877-M931 HydrophobicContact CH2-SD 4.04Å; W877-M931 HydrophobicContact CZ2-CE 4Å; W877-M931 HydrophobicContact CZ2-SD 4.23Å; W877-M931 HydrophobicContact CZ3-CE 4.35Å; W877-M931 HydrophobicContact CZ3-SD 3.64Å; Y892-M931 HydrophobicContact CD1-CE 3.48Å; Y892-M931 VanDerWaalsContact CD1-CE 3.48Å; Y892-M931 HydrophobicContact CE1-CE 4.04Å; Y892-M931 HydrophobicContact CG-CE 4.09Å; E893-M931 WeakPolarHBondContact O-CA 3.26Å; I894-M931 HydrophobicContact CB-CG 4.34Å; I894-M931 HydrophobicContact CD1-CG 4.25Å; I894-M931 HydrophobicContact CD1-SD 4.27Å; I894-M931 HydrophobicContact CG1-CG 3.71Å; I894-M931 HydrophobicContact CG1-SD 4.34Å; I894-M931 HydrophobicContact CG2-CG 4.45Å; M931-S946 PolarHBondContact N-OG 2.95Å; M931-S946 WeakPolarHBondContact O-CB 3.47Å; M931-S946 PolarHBondContact O-N 3.45Å
932R74.6Confident63.3Low64 Ų6453.5 Ų53.524%0.24227%0.267CS..EExtended strand (participates in β ladder)trans-136.1155.5176.271.5-176.2-174.41750.3111.4Y892 E893 V934 C942 S943 E944 W945Y892-R932 WeakPolarHBondContact CA-O 3.04Å; E893-R932 HydrophobicContact CB-CG 3.96Å; E893-R932 PolarHBondContact N-O 3.19Å; E893-R932 PolarHBondContact O-N 2.98Å; E893-R932 IonicContact OE2-CZ 3.51Å; E893-R932 IonicContact OE2-NE 3.59Å; E893-R932 PolarHBondContact OE2-NE 2.6Å; E893-R932 IonicContact OE2-NH2 2.7Å; E893-R932 PolarHBondContact OE2-NH2 2.91Å; R932-V934 HydrophobicContact CG-CG2 4.46Å; R932-C942 HydrophobicContact CG-CB 4.27Å; R932-C942 VanDerWaalsContact CZ-SG 3.53Å; R932-S943 WeakPolarHBondContact CA-OG 3.31Å; R932-S943 WeakPolarHBondContact CB-O 3.24Å; R932-S943 WeakPolarHBondContact CB-OG 3.44Å; R932-E944 WeakPolarHBondContact CB-O 3.5Å; R932-W945 HydrophobicContact CB-CD2 4.22Å; R932-W945 HydrophobicContact CB-CE3 3.88Å; R932-W945 HydrophobicContact CB-CZ3 4.15Å; R932-W945 HydrophobicContact CG-CD2 4.18Å; R932-W945 HydrophobicContact CG-CE3 3.87Å; R932-W945 HydrophobicContact CG-CH2 3.82Å; R932-W945 HydrophobicContact CG-CZ2 4.14Å; R932-W945 HydrophobicContact CG-CZ3 3.69Å
933L71.1Confident63.4Low3 Ų351.2 Ų51.22%0.01625%0.253CS..EExtended strand (participates in β ladder)trans-99.2128.9-177.8-158.3129.1000108.7I857 V880 V889 Y892 I935 C942 S943I857-L933 HydrophobicContact CG2-CB 4.47Å; I857-L933 HydrophobicContact CG2-CD2 4.04Å; V880-L933 HydrophobicContact CB-CD1 4.38Å; V880-L933 HydrophobicContact CG2-CD1 4.07Å; V889-L933 HydrophobicContact CB-CD2 4.41Å; V889-L933 HydrophobicContact CG1-CD1 4.08Å; V889-L933 HydrophobicContact CG1-CD2 3.6Å; V889-L933 HydrophobicContact CG1-CG 3.95Å; V889-L933 HydrophobicContact CG2-CD2 4.14Å; Y892-L933 HydrophobicContact CD1-CD1 4.07Å; Y892-L933 HydrophobicContact CD1-CG 4.48Å; Y892-L933 HydrophobicContact CE1-CD1 3.5Å; Y892-L933 VanDerWaalsContact CE1-CD1 3.5Å; Y892-L933 HydrophobicContact CE1-CG 4.35Å; L933-I935 HydrophobicContact CD2-CD1 4.47Å; L933-I935 HydrophobicContact CD2-CG1 4.23Å; L933-C942 CarbonylContact O-C 3.43Å; L933-C942 VanDerWaalsContact O-CA 3.27Å; L933-C942 WeakPolarHBondContact O-CA 3.39Å; L933-S943 PolarHBondContact N-OG 2.73Å; L933-S943 PolarHBondContact O-N 3.37Å
934V68Low63.5Low1 Ų153.7 Ų53.71%0.00626%0.261CS..EExtended strand (participates in β ladder)trans-116.3130.1-175.7-174.90000110.3S890 T891 E893 R932 T940 C942S890-V934 PolarHBondContact N-O 2.78Å; T891-V934 PolarHBondContact N-O 3.33Å; T891-V934 WeakPolarHBondContact O-CA 3.14Å; T891-V934 PolarHBondContact O-N 2.97Å; T891-V934 VanDerWaalsContact O-O 3.13Å; E893-V934 HydrophobicContact CB-CG2 4.05Å; E893-V934 HydrophobicContact CG-CG2 3.54Å; R932-V934 HydrophobicContact CG-CG2 4.46Å; V934-T940 HydrophobicContact CG1-CG2 3.73Å; V934-C942 HydrophobicContact CG2-CB 4.28Å
935I60.9Low63.8Low16 Ų1656 Ų568%0.08227%0.267CS..EExtended strand (participates in β ladder)trans-113.1117.4177.9-54.9178.9000107.7I857 F887 L933 Q937 V941I857-I935 HydrophobicContact CD1-CD1 3.91Å; F887-I935 HydrophobicContact CB-CD1 4.3Å; L933-I935 HydrophobicContact CD2-CD1 4.47Å; L933-I935 HydrophobicContact CD2-CG1 4.23Å; I935-Q937 VanDerWaalsContact C-N 3.35Å; I935-Q937 PolarHBondContact O-N 3.44Å; I935-V941 PolarHBondContact N-O 3.26Å
936K54.4Low64.4Low130 Ų13056.1 Ų56.157%0.56527%0.268SS*.THydrogen-bonded Turntrans-84.7-2.7-170.4-81.6-171.6175.5-176.80114.5S890 Y938S890-K936 PolarHBondContact OG-N 3.25Å; K936-Y938 PolarHBondContact O-N 3.3Å
937Q45.3Very low64.1Low115 Ų11563 Ų6354%0.53730%0.296SS..THydrogen-bonded Turntrans-81-16.8-166.1-145167.18.500114.5I935I935-Q937 VanDerWaalsContact C-N 3.35Å; I935-Q937 PolarHBondContact O-N 3.44Å
938Y39.1Very low63.9Low177 Ų17766.5 Ų66.569%0.69432%0.319SS*.SBendtrans-146.7121.4170.3-59.4-81.5000106.1K936 T940K936-Y938 PolarHBondContact O-N 3.3Å; Y938-T940 PolarHBondContact O-N 3.05Å; Y938-T940 VanDerWaalsContact O-N 3.14Å
939E42.9Very low63.6Low190 Ų19067.6 Ų67.689%0.88832%0.323SS*.THydrogen-bonded Turntrans18.980.3174.8-67.7-177161.800115.6V941E939-V941 VanDerWaalsContact C-N 3.32Å; E939-V941 PolarHBondContact O-N 3.16Å
940T50.4Low63.5Low95 Ų9571.7 Ų71.758%0.58335%0.348SS*.THydrogen-bonded Turntrans27.854.5169.6-9.80000116.9V934 Y938 C942V934-T940 HydrophobicContact CG1-CG2 3.73Å; Y938-T940 PolarHBondContact O-N 3.05Å; Y938-T940 VanDerWaalsContact O-N 3.14Å; T940-C942 PolarHBondContact O-N 3.27Å; T940-C942 PolarHBondContact O-SG 3.08Å; T940-C942 VanDerWaalsContact O-SG 3.34Å
941V49.3Very low63.3Low79 Ų7970 Ų7048%0.47934%0.34SS..EExtended strand (participates in β ladder)trans-72.5121.2175.9-178.50000109.4I935 E939I935-V941 PolarHBondContact N-O 3.26Å; E939-V941 VanDerWaalsContact C-N 3.32Å; E939-V941 PolarHBondContact O-N 3.16Å
942C60.5Low63.1Low25 Ų2572.8 Ų72.817%0.16935%0.353CS..EExtended strand (participates in β ladder)trans-112.1142.5-178.7-540000110.8R932 L933 V934 T940R932-C942 HydrophobicContact CG-CB 4.27Å; R932-C942 VanDerWaalsContact CZ-SG 3.53Å; L933-C942 CarbonylContact O-C 3.43Å; L933-C942 VanDerWaalsContact O-CA 3.27Å; L933-C942 WeakPolarHBondContact O-CA 3.39Å; V934-C942 HydrophobicContact CG2-CB 4.28Å; T940-C942 PolarHBondContact O-N 3.27Å; T940-C942 PolarHBondContact O-SG 3.08Å; T940-C942 VanDerWaalsContact O-SG 3.34Å
943S66Low62.8Low7 Ų769.8 Ų69.85%0.04934%0.341CS..PPolyproline II helixtrans-62.3168.4166.774.60000110.8R932 L933R932-S943 WeakPolarHBondContact CA-OG 3.31Å; R932-S943 WeakPolarHBondContact CB-O 3.24Å; R932-S943 WeakPolarHBondContact CB-OG 3.44Å; L933-S943 PolarHBondContact N-OG 2.73Å; L933-S943 PolarHBondContact O-N 3.37Å
944E62.8Low62.1Low73 Ų7372.2 Ų72.234%0.34136%0.359SS..PPolyproline II helixtrans-52.7153.9162.7-81.1-142.1151.800110.5N792 L853 T859 R932N792-E944 PolarHBondContact ND2-OE1 2.87Å; N792-E944 PolarHBondContact OD1-OE1 2.9Å; L853-E944 HydrophobicContact CD2-CB 4.22Å; L853-E944 HydrophobicContact CD2-CG 3.29Å; T859-E944 HydrophobicContact CG2-CB 4.33Å; T859-E944 WeakPolarHBondContact CG2-O 3.47Å; R932-E944 WeakPolarHBondContact CB-O 3.5Å
945W70Confident61.6Low71 Ų7176 Ų7627%0.26938%0.378SS..PPolyproline II helixtrans-64.2134.5165.2-76.5111000108.3E893 L895 Q930 R932E893-W945 HydrophobicContact CB-CH2 4.29Å; L895-W945 HydrophobicContact CB-CD2 4.3Å; L895-W945 HydrophobicContact CB-CE3 3.87Å; L895-W945 HydrophobicContact CB-CH2 3.36Å; L895-W945 HydrophobicContact CB-CZ2 3.8Å; L895-W945 HydrophobicContact CB-CZ3 3.38Å; L895-W945 HydrophobicContact CD2-CD2 4.25Å; L895-W945 HydrophobicContact CD2-CZ2 4.19Å; L895-W945 HydrophobicContact CG-CH2 4.48Å; L895-W945 HydrophobicContact CG-CZ2 4.5Å; Q930-W945 VanDerWaalsContact C-CE3 3.42Å; Q930-W945 HydrophobicContact CB-CB 3.87Å; Q930-W945 HydrophobicContact CB-CD2 3.9Å; Q930-W945 HydrophobicContact CB-CE3 3.49Å; Q930-W945 VanDerWaalsContact CB-CE3 3.49Å; Q930-W945 HydrophobicContact CB-CG 4.1Å; Q930-W945 HydrophobicContact CB-CZ3 4.35Å; Q930-W945 HydrophobicContact CG-CB 4.32Å; Q930-W945 VanDerWaalsContact O-CZ3 3.31Å; Q930-W945 WeakPolarHBondContact O-CZ3 2.82Å; R932-W945 HydrophobicContact CB-CD2 4.22Å; R932-W945 HydrophobicContact CB-CE3 3.88Å; R932-W945 HydrophobicContact CB-CZ3 4.15Å; R932-W945 HydrophobicContact CG-CD2 4.18Å; R932-W945 HydrophobicContact CG-CE3 3.87Å; R932-W945 HydrophobicContact CG-CH2 3.82Å; R932-W945 HydrophobicContact CG-CZ2 4.14Å; R932-W945 HydrophobicContact CG-CZ3 3.69Å
946S75.1Confident61.4Low5 Ų577 Ų774%0.03539%0.386CS..PPolyproline II helixtrans-53.2160.117167.20000110.9I863 Q930 M931 P948I863-S946 WeakPolarHBondContact CD1-OG 3.48Å; Q930-S946 PolarHBondContact NE2-O 2.71Å; M931-S946 PolarHBondContact N-OG 2.95Å; M931-S946 WeakPolarHBondContact O-CB 3.47Å; M931-S946 PolarHBondContact O-N 3.45Å; S946-P948 VanDerWaalsContact O-N 3.15Å
947K65.6Low61.7Low193 Ų19373.2 Ų73.284%0.83938%0.375SS*.SBendtrans-47.5128.9169.8-83.9-169.5175.5-175.20108.9L949K947-L949 PolarHBondContact O-N 3.4Å
948P71.1Confident62.6Low75 Ų7567.8 Ų67.849%0.48735%0.349SS..  trans-54.9112.2179.916.1-26.7000109.2T928 I929 Q930 S946 T950T928-P948 HydrophobicContact CG2-CB 3.15Å; T928-P948 HydrophobicContact CG2-CG 4.46Å; I929-P948 WeakPolarHBondContact O-CA 3.46Å; Q930-P948 HydrophobicContact CG-CB 4Å; S946-P948 VanDerWaalsContact O-N 3.15Å; P948-T950 PolarHBondContact O-N 2.69Å
949L72.3Confident64.2Low57 Ų5763 Ų6330%0.29834%0.335SS..EExtended strand (participates in β ladder)trans-93.199.8177.6-166.565000106.3I863 I865 I929 K947 V951I863-L949 HydrophobicContact CB-CD2 4.15Å; I863-L949 HydrophobicContact CG2-CD2 3.75Å; I863-L949 WeakPolarHBondContact O-CD2 3.25Å; I865-L949 HydrophobicContact CD1-CB 4.44Å; I865-L949 HydrophobicContact CD1-CD2 3.45Å; I865-L949 VanDerWaalsContact CD1-CD2 3.45Å; I865-L949 HydrophobicContact CD1-CG 3.67Å; I865-L949 HydrophobicContact CG1-CD2 3.49Å; I865-L949 VanDerWaalsContact CG1-CD2 3.49Å; I865-L949 HydrophobicContact CG1-CG 4.26Å; I929-L949 PolarHBondContact N-O 2.88Å; I929-L949 PolarHBondContact O-N 2.94Å; K947-L949 PolarHBondContact O-N 3.4Å; L949-V951 PolarHBondContact O-N 3.02Å
950T77Confident65.8Low89 Ų8955.9 Ų55.955%0.54631%0.306SS..EExtended strand (participates in β ladder)trans-73.8118.6175.924.60000109.5I926 Y927 T928 P948I926-T950 HydrophobicContact CG2-CG2 3.34Å; Y927-T950 CarbonylContact O-C 3.6Å; Y927-T950 WeakPolarHBondContact O-CA 3.1Å; T928-T950 HydrophobicContact CG2-CG2 4.23Å; P948-T950 PolarHBondContact O-N 2.69Å
951V74.4Confident67.2Low4 Ų451.4 Ų51.42%0.02428%0.279CS..EExtended strand (participates in β ladder)trans-109.2123.416561.10000108.3I865 I868 F873 Y927 I929 L949 T953I865-V951 HydrophobicContact CD1-CB 3.58Å; I865-V951 HydrophobicContact CD1-CG1 4.1Å; I865-V951 HydrophobicContact CD1-CG2 4.19Å; I865-V951 HydrophobicContact CG2-CG2 4.05Å; I868-V951 HydrophobicContact CB-CG2 4.4Å; I868-V951 HydrophobicContact CD1-CG2 3.52Å; I868-V951 HydrophobicContact CG1-CG2 3.67Å; I868-V951 HydrophobicContact CG2-CG2 3.79Å; F873-V951 HydrophobicContact CD1-CB 4.36Å; F873-V951 HydrophobicContact CD1-CG1 3.48Å; F873-V951 VanDerWaalsContact CD1-CG1 3.48Å; F873-V951 HydrophobicContact CD1-CG2 3.97Å; F873-V951 HydrophobicContact CE1-CB 4.39Å; F873-V951 HydrophobicContact CE1-CG1 3.14Å; F873-V951 HydrophobicContact CE1-CG2 4.48Å; F873-V951 HydrophobicContact CE2-CG1 4.36Å; F873-V951 HydrophobicContact CG-CG1 4.19Å; F873-V951 HydrophobicContact CG-CG2 4.31Å; F873-V951 HydrophobicContact CZ-CG1 3.65Å; Y927-V951 PolarHBondContact N-O 2.91Å; Y927-V951 PolarHBondContact O-N 3.39Å; I929-V951 HydrophobicContact CD1-CB 4.49Å; I929-V951 HydrophobicContact CD1-CG1 3.75Å; I929-V951 HydrophobicContact CG1-CG1 3.94Å; L949-V951 PolarHBondContact O-N 3.02Å; V951-T953 PolarHBondContact O-N 2.79Å
952F74Confident68.6Low60 Ų6050.5 Ų50.526%0.26327%0.273SS..EExtended strand (participates in β ladder)trans-83109.6168.2-172.1-130.3000107.1C924 I926 S954 I955C924-F952 VanDerWaalsContact C-CE2 3.44Å; C924-F952 HydrophobicContact CB-CZ 4.49Å; C924-F952 WeakPolarHBondContact O-CE2 3.36Å; I926-F952 HydrophobicContact CB-CD2 4.48Å; I926-F952 HydrophobicContact CG1-CD2 3.5Å; I926-F952 VanDerWaalsContact CG1-CD2 3.5Å; I926-F952 HydrophobicContact CG1-CE2 4.06Å; I926-F952 HydrophobicContact CG1-CG 4.41Å; F952-S954 PolarHBondContact O-N 3.09Å; F952-I955 HydrophobicContact CE1-CD1 3.99Å; F952-I955 HydrophobicContact CE1-CG1 3.5Å; F952-I955 VanDerWaalsContact CE1-CG1 3.5Å; F952-I955 HydrophobicContact CZ-CD1 4.28Å; F952-I955 HydrophobicContact CZ-CG1 3.58Å
953T68.2Low69.6Low0 Ų054.4 Ų54.40%029%0.292CS..  trans-58.7132.9165.650.40000107S870 F873 L921 T922 C924 T925 Y927 V951 I955S870-T953 WeakPolarHBondContact O-CB 3.37Å; F873-T953 HydrophobicContact CD1-CG2 4.44Å; L921-T953 HydrophobicContact CB-CG2 3.88Å; L921-T953 HydrophobicContact CD1-CG2 3.91Å; T922-T953 PolarHBondContact O-OG1 2.6Å; C924-T953 PolarHBondContact N-O 3.08Å; T925-T953 PolarHBondContact N-OG1 2.82Å; T925-T953 VanDerWaalsContact N-OG1 3.08Å; T925-T953 PolarHBondContact O-N 2.9Å; T925-T953 VanDerWaalsContact O-N 3.11Å; T925-T953 PolarHBondContact O-OG1 2.88Å; Y927-T953 HydrophobicContact CD2-CG2 3.55Å; Y927-T953 HydrophobicContact CE2-CG2 3.84Å; V951-T953 PolarHBondContact O-N 2.79Å; T953-I955 PolarHBondContact O-N 2.84Å
954S57.4Low70.4Confident55 Ų5554.2 Ų54.239%0.38529%0.291SS..  trans-49.2137.6-174.9-53.40000110T869 C924 F952 S956T869-S954 PolarHBondContact O-N 3.46Å; C924-S954 PolarHBondContact N-O 2.85Å; F952-S954 PolarHBondContact O-N 3.09Å; S954-S956 PolarHBondContact O-N 2.84Å
955I57Low71.3Confident80 Ų8054.2 Ų54.241%0.4130%0.296SS..  trans-42.8117.2-176.9-76.7164.2000110C924 F952 T953 I1041C924-I955 HydrophobicContact CB-CB 4.45Å; C924-I955 HydrophobicContact CB-CG1 4.41Å; F952-I955 HydrophobicContact CE1-CD1 3.99Å; F952-I955 HydrophobicContact CE1-CG1 3.5Å; F952-I955 VanDerWaalsContact CE1-CG1 3.5Å; F952-I955 HydrophobicContact CZ-CD1 4.28Å; F952-I955 HydrophobicContact CZ-CG1 3.58Å; T953-I955 PolarHBondContact O-N 2.84Å; I955-I1041 HydrophobicContact CD1-CD1 3.82Å; I955-I1041 HydrophobicContact CG1-CD1 4.35Å; I955-I1041 HydrophobicContact CG2-CD1 4.09Å; I955-I1041 HydrophobicContact CG2-CG2 3.82Å
956S56.3Low71.7Confident36 Ų3653 Ų5325%0.25229%0.292SS..  trans-74.7139.7153.5145.40000108.8C924 S954 F987C924-S956 VanDerWaalsContact N-N 3.19Å; S954-S956 PolarHBondContact O-N 2.84Å; S956-F987 WeakPolarHBondContact O-CZ 3.32Å
957T61.1Low71.3Confident52 Ų5258.1 Ų58.132%0.31932%0.319SS..  trans-65.3135.4169.452.20000109.4R1042T957-R1042 WeakPolarHBondContact CB-O 3.37Å; T957-R1042 WeakPolarHBondContact CG2-O 3.42Å
958P64.4Low70.9Confident1 Ų152 Ų521%0.00629%0.293CS..  trans-41.6148.9171.1-2625.4000112.3F987 I989 I1041 R1042 S1043P958-F987 HydrophobicContact CB-CB 4.41Å; P958-F987 HydrophobicContact CB-CD2 3.91Å; P958-F987 HydrophobicContact CB-CE2 4.38Å; P958-F987 HydrophobicContact CB-CG 4.15Å; P958-F987 HydrophobicContact CG-CB 4.41Å; P958-F987 HydrophobicContact CG-CD1 4.15Å; P958-F987 HydrophobicContact CG-CD2 4.04Å; P958-F987 HydrophobicContact CG-CE1 4.42Å; P958-F987 HydrophobicContact CG-CE2 4.32Å; P958-F987 HydrophobicContact CG-CG 3.95Å; P958-F987 HydrophobicContact CG-CZ 4.5Å; P958-I989 HydrophobicContact CB-CD1 4.02Å; P958-I1041 HydrophobicContact CG-CG2 4.4Å; P958-R1042 WeakPolarHBondContact CD-O 3.3Å; P958-S1043 WeakPolarHBondContact O-CA 3.23Å; P958-S1043 WeakPolarHBondContact O-CB 3.35Å
959N72.3Confident70.3Confident75 Ų7550 Ų5040%0.40128%0.279SS..PPolyproline II helixtrans-61.2134.9173.8-68.5-33.5000110P981 E983 N984 S1034N959-P981 HydrophobicContact CB-CB 3.92Å; N959-E983 PolarHBondContact ND2-O 2.86Å; N959-N984 WeakPolarHBondContact CB-ND2 3.29Å; N959-N984 PolarHBondContact N-ND2 2.91Å; N959-N984 VanDerWaalsContact N-ND2 3.12Å; N959-N984 PolarHBondContact N-OD1 2.82Å; N959-N984 PolarHBondContact ND2-OD1 3.07Å; N959-N984 PolarHBondContact O-ND2 2.92Å; N959-S1034 PolarHBondContact O-OG 3.3Å
960P76Confident69.7Low41 Ų4153.2 Ų53.227%0.26629%0.287SS..PPolyproline II helixtrans-59.7153.5176.316.9-25.7000111.8V962 L1044P960-V962 PolarHBondContact O-N 3.03Å; P960-L1044 WeakPolarHBondContact CB-O 3.33Å
961P79.6Confident69.1Low2 Ų249.9 Ų49.91%0.01327%0.268CS..PPolyproline II helixtrans-55.6137.5169.3-1931.2000110.5V964 W978 F992 V1032 S1034P961-V964 HydrophobicContact CB-CG2 4.15Å; P961-V964 WeakPolarHBondContact O-CG2 3.45Å; P961-W978 HydrophobicContact CB-CB 3.92Å; P961-W978 HydrophobicContact CB-CG 3.96Å; P961-F992 HydrophobicContact CB-CD1 4.45Å; P961-F992 HydrophobicContact CB-CE1 4.36Å; P961-F992 HydrophobicContact CG-CD1 3.71Å; P961-F992 HydrophobicContact CG-CE1 3.95Å; P961-V1032 WeakPolarHBondContact CD-O 3.03Å; P961-V1032 HydrophobicContact CG-CB 4.04Å; P961-V1032 HydrophobicContact CG-CG1 3.79Å; P961-S1034 VanDerWaalsContact CD-OG 3.28Å; P961-S1034 WeakPolarHBondContact CD-OG 3.39Å; P961-S1034 WeakPolarHBondContact CG-OG 3.48Å
962V79.9Confident68.8Low60 Ų6052.8 Ų52.836%0.36429%0.286SS..EExtended strand (participates in β ladder)trans-99.3159179.5-70.30000109.8P960 V964 M979P960-V962 PolarHBondContact O-N 3.03Å; V962-V964 VanDerWaalsContact C-N 3.28Å; V962-V964 PolarHBondContact O-N 3.44Å; V962-M979 HydrophobicContact CG2-CB 4.06Å; V962-M979 PolarHBondContact N-O 3.13Å; V962-M979 VanDerWaalsContact N-O 3.09Å; V962-M979 WeakPolarHBondContact O-CA 3.16Å; V962-M979 WeakPolarHBondContact O-CB 3.33Å; V962-M979 PolarHBondContact O-N 2.84Å
963N81.4Confident68.6Low106 Ų10651.5 Ų51.557%0.56728%0.28SS*.EExtended strand (participates in β ladder)trans5439.7-178.6-65-16.4000114.3T965 M979N963-T965 PolarHBondContact O-N 2.93Å; N963-M979 HydrophobicContact CB-CB 4.36Å; N963-M979 HydrophobicContact CB-CG 4.19Å; N963-M979 HydrophobicContact CB-SD 4.11Å; N963-M979 PolarHBondContact ND2-SD 2.89Å
964V81.9Confident69Low3 Ų351.5 Ų51.52%0.01828%0.28CS..EExtended strand (participates in β ladder)trans-65121.9172.3-164.90000108.8P961 V962 V976 V977 W978 V1032 S1046 I1049P961-V964 HydrophobicContact CB-CG2 4.15Å; P961-V964 WeakPolarHBondContact O-CG2 3.45Å; V962-V964 VanDerWaalsContact C-N 3.28Å; V962-V964 PolarHBondContact O-N 3.44Å; V964-V976 HydrophobicContact CG1-CG1 4.08Å; V964-V977 CarbonylContact C-O 3.59Å; V964-V977 WeakPolarHBondContact CA-O 3.43Å; V964-W978 HydrophobicContact CB-CB 4.36Å; V964-W978 HydrophobicContact CG1-CB 4.36Å; V964-W978 HydrophobicContact CG2-CB 3.91Å; V964-V1032 HydrophobicContact CG1-CB 4.35Å; V964-V1032 HydrophobicContact CG1-CG2 3.52Å; V964-V1032 HydrophobicContact CG2-CB 4.39Å; V964-V1032 HydrophobicContact CG2-CG2 4.41Å; V964-S1046 VanDerWaalsContact CG2-CB 3.43Å; V964-S1046 WeakPolarHBondContact CG2-OG 3.43Å; V964-I1049 HydrophobicContact CB-CD1 4.16Å; V964-I1049 HydrophobicContact CG1-CD1 3.51Å; V964-I1049 HydrophobicContact CG1-CG1 4.29Å; V964-I1049 WeakPolarHBondContact O-CG2 3.33Å
965T83Confident70.2Confident73 Ų7352.5 Ų52.545%0.44828%0.276SS..EExtended strand (participates in β ladder)trans-146.7173.8-17556.10000110.8N963 V977N963-T965 PolarHBondContact O-N 2.93Å; T965-V977 PolarHBondContact N-O 2.91Å; T965-V977 PolarHBondContact O-N 2.88Å; T965-V977 VanDerWaalsContact O-O 3.09Å
966F76.8Confident71.6Confident45 Ų4548.7 Ų48.720%0.19726%0.256CS..EExtended strand (participates in β ladder)trans-114.9135.7174.8-56.6-89.7000110.1L974 R975 V976 V1030 I1049 A1051F966-L974 HydrophobicContact CB-CD2 4.36Å; F966-L974 HydrophobicContact CD1-CB 4.42Å; F966-L974 HydrophobicContact CD1-CD2 3.57Å; F966-L974 HydrophobicContact CE1-CD2 3.96Å; F966-L974 HydrophobicContact CG-CD2 4.09Å; F966-R975 CarbonylContact C-O 3.58Å; F966-R975 VanDerWaalsContact CA-O 3.27Å; F966-R975 WeakPolarHBondContact CA-O 3.26Å; F966-V976 HydrophobicContact CD1-CB 4.42Å; F966-V976 HydrophobicContact CD1-CG2 3.78Å; F966-V976 HydrophobicContact CE1-CG2 3.68Å; F966-V1030 HydrophobicContact CE1-CB 3.88Å; F966-V1030 HydrophobicContact CE1-CG1 4.32Å; F966-V1030 HydrophobicContact CE1-CG2 3.56Å; F966-V1030 HydrophobicContact CZ-CB 3.58Å; F966-V1030 HydrophobicContact CZ-CG1 4.38Å; F966-V1030 HydrophobicContact CZ-CG2 3.56Å; F966-I1049 HydrophobicContact CD2-CD1 3.65Å; F966-I1049 HydrophobicContact CD2-CG1 4.27Å; F966-I1049 HydrophobicContact CE1-CD1 4.16Å; F966-I1049 HydrophobicContact CE2-CB 3.75Å; F966-I1049 HydrophobicContact CE2-CD1 3.21Å; F966-I1049 HydrophobicContact CE2-CG1 3.37Å; F966-I1049 HydrophobicContact CG-CD1 4.31Å; F966-I1049 HydrophobicContact CZ-CB 4.38Å; F966-I1049 HydrophobicContact CZ-CD1 3.52Å; F966-I1049 HydrophobicContact CZ-CG1 3.58Å; F966-A1051 HydrophobicContact CD1-CB 3.91Å; F966-A1051 HydrophobicContact CD2-CB 3.47Å; F966-A1051 VanDerWaalsContact CD2-CB 3.47Å; F966-A1051 HydrophobicContact CE1-CB 3.63Å; F966-A1051 HydrophobicContact CE2-CB 3.17Å; F966-A1051 HydrophobicContact CG-CB 3.8Å; F966-A1051 HydrophobicContact CZ-CB 3.24Å
967I67.5Low73.1Confident114 Ų11448.2 Ų48.259%0.58525%0.252SS*.EExtended strand (participates in β ladder)trans-102.9-34.2-179-64.3-171.3000112.3R975 V977I967-R975 PolarHBondContact N-O 3.34Å; I967-V977 HydrophobicContact CB-CG2 3.99Å; I967-V977 HydrophobicContact CD1-CB 3.76Å; I967-V977 HydrophobicContact CD1-CG1 3.91Å; I967-V977 HydrophobicContact CD1-CG2 3.29Å; I967-V977 HydrophobicContact CG1-CB 3.99Å; I967-V977 HydrophobicContact CG1-CG2 3.39Å
968E56.9Low74.4Confident65 Ų6546 Ų4630%0.30424%0.238SC..EExtended strand (participates in β ladder)trans-138.2118.2-176.3-119.8-172.214400111.4L974 R975 R1057E968-L974 CarbonylContact O-C 3.44Å; E968-L974 WeakPolarHBondContact O-CA 3.41Å; E968-R975 HydrophobicContact CB-CB 3.94Å; E968-R975 PolarHBondContact O-N 2.91Å; E968-R975 IonicContact OE2-CZ 2.81Å; E968-R975 IonicContact OE2-NH1 3.09Å; E968-R1057 IonicContact OE1-NH2 3.89Å
969T59Low75.2Confident32 Ų3250.4 Ų50.420%0.19626%0.259CS..EExtended strand (participates in β ladder)trans-114.4109177.2590000109.3Q973 L974 Y1054T969-Q973 CarbonylContact C-O 3.58Å; T969-L974 HydrophobicContact CG2-CD2 3.4Å; T969-Y1054 HydrophobicContact CG2-CD2 3.96Å; T969-Y1054 HydrophobicContact CG2-CE2 4.11Å; T969-Y1054 WeakPolarHBondContact OG1-CD2 3.38Å
970R58.6Low75.4Confident124 Ų12449.7 Ų49.747%0.46826%0.258SS..EExtended strand (participates in β ladder)trans-97.6167.3163.4-54.3-176178.4-169.7-1.6108.6T972 Q973R970-T972 PolarHBondContact O-N 2.89Å; R970-Q973 HydrophobicContact CB-CB 4.03Å; R970-Q973 HydrophobicContact CG-CB 4.4Å; R970-Q973 PolarHBondContact N-O 2.9Å; R970-Q973 PolarHBondContact O-N 2.86Å
971S64.3Low75.3Confident19 Ų1948.6 Ų48.613%0.13325%0.251CS..THydrogen-bonded Turntrans-54.7-29.1178.351.90000113.3C1023 P1024 Y1054 D1056S971-C1023 CarbonylContact O-C 3.59Å; S971-P1024 WeakPolarHBondContact O-CA 3.31Å; S971-P1024 WeakPolarHBondContact O-CB 3.45Å; S971-P1024 WeakPolarHBondContact O-CD 3.06Å; S971-P1024 VanDerWaalsContact O-CG 3.25Å; S971-P1024 WeakPolarHBondContact O-CG 3.48Å; S971-P1024 VanDerWaalsContact O-N 3.09Å; S971-Y1054 WeakPolarHBondContact CA-O 3.42Å; S971-D1056 VanDerWaalsContact CB-CG 3.43Å; S971-D1056 WeakPolarHBondContact CB-OD1 3.44Å; S971-D1056 PolarHBondContact OG-OD1 2.89Å
972T69Low74.4Confident66 Ų6657.3 Ų57.341%0.40529%0.292SS..THydrogen-bonded Turntrans-127.516.6178.465.60000114.6R970 K1020 S1021 L1022 P1024R970-T972 PolarHBondContact O-N 2.89Å; T972-K1020 CarbonylContact O-C 3.57Å; T972-S1021 WeakPolarHBondContact O-CA 3.15Å; T972-S1021 PolarHBondContact O-N 2.86Å; T972-L1022 WeakPolarHBondContact CA-O 3.4Å; T972-L1022 WeakPolarHBondContact CB-O 3.24Å; T972-L1022 VanDerWaalsContact CG2-O 3.22Å; T972-L1022 WeakPolarHBondContact CG2-O 3.36Å; T972-L1022 PolarHBondContact O-N 2.85Å; T972-P1024 HydrophobicContact CG2-CG 4.11Å
973Q70.5Confident73.2Confident32 Ų3262.1 Ų62.115%0.1531%0.31CS..EExtended strand (participates in β ladder)trans-147.6138.9-176.8-171.9-176.9-6.100111.9T969 R970 I1019 K1020T969-Q973 CarbonylContact C-O 3.58Å; R970-Q973 HydrophobicContact CB-CB 4.03Å; R970-Q973 HydrophobicContact CG-CB 4.4Å; R970-Q973 PolarHBondContact N-O 2.9Å; R970-Q973 PolarHBondContact O-N 2.86Å; Q973-I1019 CarbonylContact C-O 3.58Å; Q973-I1019 WeakPolarHBondContact CA-O 3.34Å; Q973-I1019 WeakPolarHBondContact CG-O 3.3Å; Q973-K1020 HydrophobicContact CG-CB 4.47Å; Q973-K1020 HydrophobicContact CG-CG 3.79Å
974L77Confident71.9Confident0 Ų058.5 Ų58.50%029%0.291CS..EExtended strand (participates in β ladder)trans-128.4128.3177.2-88157.9000110.3F966 E968 T969 I996 I1019 L1022 Y1028 A1051 A1053F966-L974 HydrophobicContact CB-CD2 4.36Å; F966-L974 HydrophobicContact CD1-CB 4.42Å; F966-L974 HydrophobicContact CD1-CD2 3.57Å; F966-L974 HydrophobicContact CE1-CD2 3.96Å; F966-L974 HydrophobicContact CG-CD2 4.09Å; E968-L974 CarbonylContact O-C 3.44Å; E968-L974 WeakPolarHBondContact O-CA 3.41Å; T969-L974 HydrophobicContact CG2-CD2 3.4Å; L974-I996 HydrophobicContact CD1-CD1 4.22Å; L974-I1019 PolarHBondContact N-O 2.92Å; L974-I1019 WeakPolarHBondContact O-CA 3.29Å; L974-I1019 VanDerWaalsContact O-CB 3.32Å; L974-I1019 WeakPolarHBondContact O-CB 3.34Å; L974-I1019 PolarHBondContact O-N 2.84Å; L974-L1022 HydrophobicContact CB-CD1 3.64Å; L974-L1022 HydrophobicContact CD1-CD1 3.43Å; L974-L1022 VanDerWaalsContact CD1-CD1 3.43Å; L974-L1022 HydrophobicContact CG-CD1 3.8Å; L974-Y1028 HydrophobicContact CD1-CD2 4.2Å; L974-Y1028 HydrophobicContact CD1-CG 4.33Å; L974-A1051 HydrophobicContact CD1-CB 3.97Å; L974-A1051 HydrophobicContact CD2-CB 3.5Å; L974-A1051 HydrophobicContact CG-CB 4.44Å; L974-A1053 HydrophobicContact CD1-CB 4.44Å
975R81.4Confident70.4Confident77 Ų7763.4 Ų63.429%0.29133%0.325SS..EExtended strand (participates in β ladder)trans-101.5116.4170.4178.8174.1-75.9177.8-8.5110.2F966 I967 E968 V977 V1016 C1017 D1018F966-R975 CarbonylContact C-O 3.58Å; F966-R975 VanDerWaalsContact CA-O 3.27Å; F966-R975 WeakPolarHBondContact CA-O 3.26Å; I967-R975 PolarHBondContact N-O 3.34Å; E968-R975 HydrophobicContact CB-CB 3.94Å; E968-R975 PolarHBondContact O-N 2.91Å; E968-R975 IonicContact OE2-CZ 2.81Å; E968-R975 IonicContact OE2-NH1 3.09Å; R975-V977 HydrophobicContact CG-CG2 4.18Å; R975-V1016 HydrophobicContact CG-CG2 4.13Å; R975-C1017 CarbonylContact C-O 3.52Å; R975-C1017 WeakPolarHBondContact CA-O 3.29Å; R975-D1018 IonicContact CZ-OD1 3.57Å; R975-D1018 IonicContact CZ-OD2 3Å; R975-D1018 IonicContact NE-OD1 3.27Å; R975-D1018 PolarHBondContact NE-OD1 2.85Å; R975-D1018 IonicContact NE-OD2 2.73Å; R975-D1018 PolarHBondContact NE-OD2 2.86Å; R975-D1018 VanDerWaalsContact NH2-CG 3.34Å; R975-D1018 IonicContact NH2-OD1 3.88Å; R975-D1018 PolarHBondContact NH2-OD1 2.85Å; R975-D1018 VanDerWaalsContact NH2-OD1 3.16Å; R975-D1018 IonicContact NH2-OD2 3.45Å; R975-D1018 PolarHBondContact NH2-OD2 2.86Å
976V85.7Confident68.9Low0 Ų061.2 Ų61.20%032%0.315CS..EExtended strand (participates in β ladder)trans-101.9134-176.5-171.10000109.5V964 F966 W978 V994 V1016 C1017 I1019 V1030 V1032 I1049V964-V976 HydrophobicContact CG1-CG1 4.08Å; F966-V976 HydrophobicContact CD1-CB 4.42Å; F966-V976 HydrophobicContact CD1-CG2 3.78Å; F966-V976 HydrophobicContact CE1-CG2 3.68Å; V976-W978 HydrophobicContact CB-CZ3 4.4Å; V976-W978 HydrophobicContact CG1-CE3 4.17Å; V976-W978 HydrophobicContact CG1-CZ3 4.27Å; V976-W978 WeakPolarHBondContact O-CZ3 3.43Å; V976-V994 HydrophobicContact CB-CG1 4.25Å; V976-V994 HydrophobicContact CG1-CG1 4.19Å; V976-V994 HydrophobicContact CG2-CG1 4.19Å; V976-V1016 CarbonylContact O-C 3.55Å; V976-V1016 WeakPolarHBondContact O-CA 3.12Å; V976-C1017 HydrophobicContact CB-CB 4.4Å; V976-C1017 PolarHBondContact N-O 3.43Å; V976-C1017 PolarHBondContact O-N 2.86Å; V976-I1019 HydrophobicContact CG2-CD1 3.55Å; V976-I1019 HydrophobicContact CG2-CG1 4.28Å; V976-V1030 HydrophobicContact CB-CG1 4.47Å; V976-V1030 HydrophobicContact CG1-CG1 3.75Å; V976-V1030 HydrophobicContact CG2-CG1 3.89Å; V976-V1030 HydrophobicContact CG2-CG2 4.49Å; V976-V1032 HydrophobicContact CG1-CG2 4.12Å; V976-I1049 HydrophobicContact CG1-CD1 4.47Å
977V88.1Confident68Low25 Ų2560.1 Ų60.115%0.15231%0.31CS..EExtended strand (participates in β ladder)trans-139145.6-175.3-163.80000109.7V964 T965 I967 R975 N1015 V1016V964-V977 CarbonylContact C-O 3.59Å; V964-V977 WeakPolarHBondContact CA-O 3.43Å; T965-V977 PolarHBondContact N-O 2.91Å; T965-V977 PolarHBondContact O-N 2.88Å; T965-V977 VanDerWaalsContact O-O 3.09Å; I967-V977 HydrophobicContact CB-CG2 3.99Å; I967-V977 HydrophobicContact CD1-CB 3.76Å; I967-V977 HydrophobicContact CD1-CG1 3.91Å; I967-V977 HydrophobicContact CD1-CG2 3.29Å; I967-V977 HydrophobicContact CG1-CB 3.99Å; I967-V977 HydrophobicContact CG1-CG2 3.39Å; R975-V977 HydrophobicContact CG-CG2 4.18Å; V977-N1015 WeakPolarHBondContact CA-O 3.33Å; V977-N1015 VanDerWaalsContact CG1-O 3.3Å; V977-N1015 WeakPolarHBondContact CG1-O 3.16Å; V977-V1016 HydrophobicContact CB-CG2 4.21Å; V977-V1016 HydrophobicContact CG1-CG2 3.98Å; V977-V1016 HydrophobicContact CG2-CG2 3.38Å
978W88.6Confident68Low7 Ų758.4 Ų58.43%0.02730%0.302CS..EExtended strand (participates in β ladder)trans-145.1165.2-177.255.189.9000111.2P961 V964 V976 F992 V994 I1011 N1015 C1017 V1032P961-W978 HydrophobicContact CB-CB 3.92Å; P961-W978 HydrophobicContact CB-CG 3.96Å; V964-W978 HydrophobicContact CB-CB 4.36Å; V964-W978 HydrophobicContact CG1-CB 4.36Å; V964-W978 HydrophobicContact CG2-CB 3.91Å; V976-W978 HydrophobicContact CB-CZ3 4.4Å; V976-W978 HydrophobicContact CG1-CE3 4.17Å; V976-W978 HydrophobicContact CG1-CZ3 4.27Å; V976-W978 WeakPolarHBondContact O-CZ3 3.43Å; W978-F992 AromaticContact CD1-CD1 3.76Å; W978-F992 AromaticContact CD1-CE1 3.7Å; W978-F992 AromaticContact CD1-CZ 3.98Å; W978-F992 AromaticContact CE2-CD2 3.77Å; W978-F992 AromaticContact CE2-CG 3.58Å; W978-F992 HydrophobicContact CH2-CB 4.43Å; W978-F992 HydrophobicContact CZ2-CB 3.47Å; W978-F992 VanDerWaalsContact CZ2-CB 3.47Å; W978-F992 AromaticContact CZ2-CD2 3.8Å; W978-F992 HydrophobicContact CZ2-CD2 3.8Å; W978-F992 AromaticContact CZ2-CG 3.73Å; W978-F992 HydrophobicContact CZ2-CG 3.73Å; W978-F992 AromaticContact NE1-CD1 3.17Å; W978-F992 AromaticContact NE1-CD2 3.16Å; W978-F992 AromaticContact NE1-CE1 3.39Å; W978-F992 AromaticContact NE1-CE2 3.4Å; W978-F992 AromaticContact NE1-CG 3.05Å; W978-F992 AromaticContact NE1-CZ 3.51Å; W978-V994 HydrophobicContact CE3-CG2 4.34Å; W978-V994 HydrophobicContact CH2-CG2 3.42Å; W978-V994 VanDerWaalsContact CH2-CG2 3.42Å; W978-V994 HydrophobicContact CZ2-CG2 4.32Å; W978-V994 HydrophobicContact CZ3-CG2 3.43Å; W978-V994 VanDerWaalsContact CZ3-CG2 3.43Å; W978-I1011 HydrophobicContact CH2-CB 4.15Å; W978-I1011 HydrophobicContact CH2-CG1 4.09Å; W978-I1011 HydrophobicContact CH2-CG2 4.22Å; W978-I1011 HydrophobicContact CZ2-CB 4.21Å; W978-I1011 HydrophobicContact CZ2-CG2 4.18Å; W978-N1015 PolarHBondContact N-O 2.74Å; W978-N1015 VanDerWaalsContact N-O 3.11Å; W978-N1015 WeakPolarHBondContact O-CB 3.42Å; W978-C1017 HydrophobicContact CH2-CB 3.84Å; W978-C1017 HydrophobicContact CZ3-CB 3.79Å; W978-V1032 HydrophobicContact CD2-CG1 3.93Å; W978-V1032 HydrophobicContact CD2-CG2 4.22Å; W978-V1032 HydrophobicContact CE3-CG1 4.17Å; W978-V1032 HydrophobicContact CE3-CG2 3.78Å; W978-V1032 HydrophobicContact CG-CG1 4.34Å; W978-V1032 HydrophobicContact CZ2-CG1 4.43Å; W978-V1032 HydrophobicContact CZ3-CG2 4.27Å
979M81.6Confident68.6Low93 Ų9356.5 Ų56.546%0.45829%0.293SS..EExtended strand (participates in β ladder)trans-100.7142.7168.1-72.3179.863.800110.3V962 N963V962-M979 HydrophobicContact CG2-CB 4.06Å; V962-M979 PolarHBondContact N-O 3.13Å; V962-M979 VanDerWaalsContact N-O 3.09Å; V962-M979 WeakPolarHBondContact O-CA 3.16Å; V962-M979 WeakPolarHBondContact O-CB 3.33Å; V962-M979 PolarHBondContact O-N 2.84Å; N963-M979 HydrophobicContact CB-CB 4.36Å; N963-M979 HydrophobicContact CB-CG 4.19Å; N963-M979 HydrophobicContact CB-SD 4.11Å; N963-M979 PolarHBondContact ND2-SD 2.89Å
980P76.9Confident69.4Low59 Ų5957.5 Ų57.538%0.38330%0.298SS..PPolyproline II helixtrans-58.3145.2167.7-18.330.8000110.5F992P980-F992 HydrophobicContact CB-CZ 4.44Å; P980-F992 HydrophobicContact CG-CZ 4.48Å
981P73.3Confident70.4Confident18 Ų1852 Ų5212%0.11728%0.279CS..PPolyproline II helixtrans-62.2134.8176.923-31.8000112.5N959 E983 N984 I989N959-P981 HydrophobicContact CB-CB 3.92Å; P981-E983 PolarHBondContact O-N 2.86Å; P981-N984 WeakPolarHBondContact CB-ND2 3.38Å; P981-N984 HydrophobicContact CG-CB 4.35Å; P981-N984 WeakPolarHBondContact CG-ND2 3.4Å; P981-I989 HydrophobicContact CG-CD1 3.79Å
982E60.5Low71.5Confident186 Ų18651.3 Ų51.387%0.86927%0.273SS*.SBendtrans-65.6-31.6-174.3-80.6-176.8155.300114.2
983E55Low72.3Confident161 Ų16148.5 Ų48.575%0.75226%0.255SS*.  trans-125.395.2178.9-72.4-170.9166.300110.2N959 P981N959-E983 PolarHBondContact ND2-O 2.86Å; P981-E983 PolarHBondContact O-N 2.86Å
984N53.9Low73.1Confident30 Ų3047 Ų4716%0.1625%0.248CC..  trans-144.956.4168.6-93.1-28.2000110.5N959 P981 A986 F987 I989N959-N984 WeakPolarHBondContact CB-ND2 3.29Å; N959-N984 PolarHBondContact N-ND2 2.91Å; N959-N984 VanDerWaalsContact N-ND2 3.12Å; N959-N984 PolarHBondContact N-OD1 2.82Å; N959-N984 PolarHBondContact ND2-OD1 3.07Å; N959-N984 PolarHBondContact O-ND2 2.92Å; P981-N984 WeakPolarHBondContact CB-ND2 3.38Å; P981-N984 HydrophobicContact CG-CB 4.35Å; P981-N984 WeakPolarHBondContact CG-ND2 3.4Å; N984-A986 PolarHBondContact O-N 3.46Å; N984-F987 PolarHBondContact O-N 3.14Å; N984-I989 HydrophobicContact CB-CD1 3.77Å; N984-I989 WeakPolarHBondContact ND2-CD1 3.23Å
985S49.8Very low73.5Confident106 Ų10647 Ų4774%0.74125%0.249SC*.THydrogen-bonded Turntrans-59.2-6.5173.155.30000113.7R900R900-S985 VanDerWaalsContact NH1-C 3.31Å; R900-S985 PolarHBondContact NH1-OG 3.37Å; R900-S985 PolarHBondContact NH2-O 3.39Å
986A53.6Low73.7Confident27 Ų2743.6 Ų43.622%0.22324%0.236CC..THydrogen-bonded Turntrans-86.3-32.7179.100000114.4R900 N984R900-A986 VanDerWaalsContact NH1-CA 3.25Å; N984-A986 PolarHBondContact O-N 3.46Å
987F57.7Low73.4Confident21 Ų2144.5 Ų44.59%0.09224%0.24CC..  trans-128.5128.5-157.1-61-65.6000108.1C924 S956 P958 N984 I989 D1036 Y1039C924-F987 HydrophobicContact CB-CE1 4.43Å; C924-F987 HydrophobicContact CB-CZ 3.75Å; S956-F987 WeakPolarHBondContact O-CZ 3.32Å; P958-F987 HydrophobicContact CB-CB 4.41Å; P958-F987 HydrophobicContact CB-CD2 3.91Å; P958-F987 HydrophobicContact CB-CE2 4.38Å; P958-F987 HydrophobicContact CB-CG 4.15Å; P958-F987 HydrophobicContact CG-CB 4.41Å; P958-F987 HydrophobicContact CG-CD1 4.15Å; P958-F987 HydrophobicContact CG-CD2 4.04Å; P958-F987 HydrophobicContact CG-CE1 4.42Å; P958-F987 HydrophobicContact CG-CE2 4.32Å; P958-F987 HydrophobicContact CG-CG 3.95Å; P958-F987 HydrophobicContact CG-CZ 4.5Å; N984-F987 PolarHBondContact O-N 3.14Å; F987-I989 VanDerWaalsContact C-N 3.27Å; F987-I989 HydrophobicContact CB-CD1 4.03Å; F987-I989 HydrophobicContact CB-CG1 3.77Å; F987-I989 PolarHBondContact O-N 2.91Å; F987-D1036 WeakPolarHBondContact CA-OD2 3.42Å; F987-D1036 HydrophobicContact CB-CB 4.4Å; F987-D1036 VanDerWaalsContact CB-OD2 3.29Å; F987-D1036 WeakPolarHBondContact CB-OD2 3.38Å; F987-D1036 WeakPolarHBondContact CD1-OD2 3.46Å; F987-Y1039 HydrophobicContact CD1-CD2 4.49Å
988N67.5Low72.7Confident78 Ų7844.9 Ų44.942%0.41724%0.243SC..  trans-84.377.1178.2-169.114.4000108.6N990 D1036 S1037 T1038N988-N990 VanDerWaalsContact C-N 3.32Å; N988-N990 PolarHBondContact O-N 2.77Å; N988-N990 VanDerWaalsContact OD1-CG 3.29Å; N988-N990 PolarHBondContact OD1-ND2 3.2Å; N988-N990 PolarHBondContact OD1-OD1 2.92Å; N988-D1036 PolarHBondContact N-OD2 3.31Å; N988-S1037 PolarHBondContact O-N 3.12Å; N988-T1038 WeakPolarHBondContact CB-OG1 3.26Å; N988-T1038 PolarHBondContact ND2-OG1 2.77Å
989I69.6Low71.7Confident25 Ų2547.3 Ų47.313%0.12826%0.259CS..  trans-82.881.5-171.8-57.6170.9000109.2P958 P981 N984 F987 F992P958-I989 HydrophobicContact CB-CD1 4.02Å; P981-I989 HydrophobicContact CG-CD1 3.79Å; N984-I989 HydrophobicContact CB-CD1 3.77Å; N984-I989 WeakPolarHBondContact ND2-CD1 3.23Å; F987-I989 VanDerWaalsContact C-N 3.27Å; F987-I989 HydrophobicContact CB-CD1 4.03Å; F987-I989 HydrophobicContact CB-CG1 3.77Å; F987-I989 PolarHBondContact O-N 2.91Å; I989-F992 HydrophobicContact CG2-CD1 4.31Å; I989-F992 HydrophobicContact CG2-CE1 3.67Å; I989-F992 HydrophobicContact CG2-CZ 3.88Å
990N74.2Confident71.1Confident53 Ų5350.1 Ų50.128%0.28327%0.269SS..  trans-100.5-5.3177.2-56.9-8.3000111.6N988 C1012 H1013N988-N990 VanDerWaalsContact C-N 3.32Å; N988-N990 PolarHBondContact O-N 2.77Å; N988-N990 VanDerWaalsContact OD1-CG 3.29Å; N988-N990 PolarHBondContact OD1-ND2 3.2Å; N988-N990 PolarHBondContact OD1-OD1 2.92Å; N990-C1012 CarbonylContact O-C 3.56Å; N990-C1012 WeakPolarHBondContact O-CA 3.44Å; N990-H1013 PolarHBondContact O-N 3.01Å
991C80Confident70.1Confident10 Ų1049.5 Ų49.57%0.06826%0.264CS..EExtended strand (participates in β ladder)trans-136.7156.5-175.6-65.60000111.1I1011 C1012 F1035C991-I1011 CarbonylContact C-O 3.6Å; C991-I1011 WeakPolarHBondContact CA-O 3.12Å; C991-C1012 HydrophobicContact CB-CB 4.12Å; C991-C1012 WeakPolarHBondContact CB-SG 3.49Å; C991-C1012 WeakPolarHBondContact SG-CB 3.49Å; C991-C1012 CovalentContact SG-SG 2.05Å; C991-C1012 PolarHBondContact SG-SG 2.83Å; C991-F1035 HydrophobicContact CB-CB 4.11Å; C991-F1035 HydrophobicContact CB-CD1 3.72Å; C991-F1035 HydrophobicContact CB-CG 4.4Å; C991-F1035 PolarHBondContact N-O 2.88Å; C991-F1035 CarbonylContact O-C 3.48Å; C991-F1035 WeakPolarHBondContact O-CA 3.49Å; C991-F1035 WeakPolarHBondContact O-CB 3.49Å; C991-F1035 PolarHBondContact O-N 3.25Å
992F87.1Confident68.9Low3 Ų354.6 Ų54.61%0.01329%0.294CS..EExtended strand (participates in β ladder)trans-142.8148.6-176.3-57.9-86.5000110.3P961 W978 P980 I989 I1011 S1014 V1032 E1033P961-F992 HydrophobicContact CB-CD1 4.45Å; P961-F992 HydrophobicContact CB-CE1 4.36Å; P961-F992 HydrophobicContact CG-CD1 3.71Å; P961-F992 HydrophobicContact CG-CE1 3.95Å; W978-F992 AromaticContact CD1-CD1 3.76Å; W978-F992 AromaticContact CD1-CE1 3.7Å; W978-F992 AromaticContact CD1-CZ 3.98Å; W978-F992 AromaticContact CE2-CD2 3.77Å; W978-F992 AromaticContact CE2-CG 3.58Å; W978-F992 HydrophobicContact CH2-CB 4.43Å; W978-F992 HydrophobicContact CZ2-CB 3.47Å; W978-F992 VanDerWaalsContact CZ2-CB 3.47Å; W978-F992 AromaticContact CZ2-CD2 3.8Å; W978-F992 HydrophobicContact CZ2-CD2 3.8Å; W978-F992 AromaticContact CZ2-CG 3.73Å; W978-F992 HydrophobicContact CZ2-CG 3.73Å; W978-F992 AromaticContact NE1-CD1 3.17Å; W978-F992 AromaticContact NE1-CD2 3.16Å; W978-F992 AromaticContact NE1-CE1 3.39Å; W978-F992 AromaticContact NE1-CE2 3.4Å; W978-F992 AromaticContact NE1-CG 3.05Å; W978-F992 AromaticContact NE1-CZ 3.51Å; P980-F992 HydrophobicContact CB-CZ 4.44Å; P980-F992 HydrophobicContact CG-CZ 4.48Å; I989-F992 HydrophobicContact CG2-CD1 4.31Å; I989-F992 HydrophobicContact CG2-CE1 3.67Å; I989-F992 HydrophobicContact CG2-CZ 3.88Å; F992-I1011 PolarHBondContact N-O 3.05Å; F992-I1011 PolarHBondContact O-N 3.44Å; F992-S1014 WeakPolarHBondContact CD2-O 3.41Å; F992-V1032 HydrophobicContact CB-CG1 3.94Å; F992-V1032 HydrophobicContact CD1-CG1 4.43Å; F992-E1033 CarbonylContact C-O 3.48Å; F992-E1033 VanDerWaalsContact CA-O 3.3Å; F992-E1033 WeakPolarHBondContact CA-O 3.04Å
993L86.6Confident67.9Low7 Ų755 Ų554%0.03729%0.294CS..EExtended strand (participates in β ladder)trans-116.9116178.8-51.3170.3000108.6Y995 F1009 N1010 V1032 E1033 F1035 R1042L993-Y995 HydrophobicContact CB-CE2 3.71Å; L993-F1009 WeakPolarHBondContact CA-O 3.32Å; L993-N1010 HydrophobicContact CD2-CB 4.24Å; L993-N1010 WeakPolarHBondContact CD2-OD1 3.26Å; L993-V1032 CarbonylContact O-C 3.59Å; L993-V1032 WeakPolarHBondContact O-CA 3.34Å; L993-E1033 HydrophobicContact CB-CB 4.35Å; L993-E1033 PolarHBondContact N-O 3.37Å; L993-E1033 PolarHBondContact O-N 3.02Å; L993-F1035 HydrophobicContact CD1-CB 4.34Å; L993-F1035 HydrophobicContact CD1-CD2 4.03Å; L993-F1035 HydrophobicContact CD1-CG 4.49Å; L993-F1035 HydrophobicContact CD2-CB 4.49Å; L993-F1035 HydrophobicContact CG-CB 4.07Å; L993-F1035 HydrophobicContact CG-CD2 4.5Å; L993-F1035 HydrophobicContact CG-CG 4.48Å; L993-R1042 HydrophobicContact CD1-CG 3.54Å
994V87.4Confident67.5Low0 Ų049 Ų490%028%0.275CS..EExtended strand (participates in β ladder)trans-101126-179-1750000109.1V976 W978 K1008 F1009 I1011 C1017 I1019 V1030 V1032V976-V994 HydrophobicContact CB-CG1 4.25Å; V976-V994 HydrophobicContact CG1-CG1 4.19Å; V976-V994 HydrophobicContact CG2-CG1 4.19Å; W978-V994 HydrophobicContact CE3-CG2 4.34Å; W978-V994 HydrophobicContact CH2-CG2 3.42Å; W978-V994 VanDerWaalsContact CH2-CG2 3.42Å; W978-V994 HydrophobicContact CZ2-CG2 4.32Å; W978-V994 HydrophobicContact CZ3-CG2 3.43Å; W978-V994 VanDerWaalsContact CZ3-CG2 3.43Å; V994-K1008 CarbonylContact O-C 3.59Å; V994-K1008 WeakPolarHBondContact O-CA 3.41Å; V994-F1009 HydrophobicContact CB-CB 4.29Å; V994-F1009 PolarHBondContact N-O 2.96Å; V994-F1009 PolarHBondContact O-N 2.88Å; V994-I1011 HydrophobicContact CG2-CG1 4.43Å; V994-C1017 HydrophobicContact CB-CB 4.31Å; V994-C1017 HydrophobicContact CG1-CB 4.38Å; V994-C1017 HydrophobicContact CG2-CB 3.7Å; V994-I1019 HydrophobicContact CG1-CD1 4.06Å; V994-V1030 HydrophobicContact CG1-CG1 3.89Å; V994-V1032 HydrophobicContact CB-CG2 4.48Å; V994-V1032 HydrophobicContact CG1-CG2 4.24Å; V994-V1032 HydrophobicContact CG2-CG1 4.07Å; V994-V1032 HydrophobicContact CG2-CG2 4.04Å
995Y85.1Confident67.3Low2 Ų256.8 Ų56.81%0.00831%0.31CS..EExtended strand (participates in β ladder)trans-114.3133.8178.3-61-95.6000109.9L993 F1006 Q1007 K1008 V1030 Y1031 E1033 R1042 E1770L993-Y995 HydrophobicContact CB-CE2 3.71Å; Y995-F1006 HydrophobicContact CD1-CB 3.8Å; Y995-F1006 HydrophobicContact CD1-CG 4.29Å; Y995-F1006 HydrophobicContact CG-CB 4.39Å; Y995-Q1007 WeakPolarHBondContact CA-O 3.26Å; Y995-K1008 HydrophobicContact CD1-CB 4.29Å; Y995-K1008 HydrophobicContact CD1-CG 4.37Å; Y995-K1008 HydrophobicContact CE1-CB 4.28Å; Y995-K1008 HydrophobicContact CE1-CD 3.85Å; Y995-K1008 HydrophobicContact CE1-CG 4.01Å; Y995-K1008 PolarHBondContact OH-NZ 2.99Å; Y995-V1030 VanDerWaalsContact O-CA 3.23Å; Y995-V1030 WeakPolarHBondContact O-CA 3.49Å; Y995-V1030 WeakPolarHBondContact O-CG1 3.41Å; Y995-Y1031 VanDerWaalsContact CB-CZ 3.49Å; Y995-Y1031 AromaticContact CD2-CD2 3.85Å; Y995-Y1031 HydrophobicContact CD2-CD2 3.85Å; Y995-Y1031 AromaticContact CD2-CE2 3.29Å; Y995-Y1031 HydrophobicContact CD2-CE2 3.29Å; Y995-Y1031 AromaticContact CD2-CZ 3.71Å; Y995-Y1031 AromaticContact CE2-CE2 3.88Å; Y995-Y1031 HydrophobicContact CE2-CE2 3.88Å; Y995-Y1031 HydrophobicContact CG-CD2 4.41Å; Y995-Y1031 HydrophobicContact CG-CE1 4.21Å; Y995-Y1031 AromaticContact CG-CE2 3.69Å; Y995-Y1031 HydrophobicContact CG-CE2 3.69Å; Y995-Y1031 AromaticContact CG-CZ 3.57Å; Y995-Y1031 PolarHBondContact N-O 2.98Å; Y995-Y1031 PolarHBondContact O-N 2.98Å; Y995-Y1031 VanDerWaalsContact O-N 3.13Å; Y995-E1033 HydrophobicContact CD2-CG 4.43Å; Y995-E1033 HydrophobicContact CE2-CB 4.32Å; Y995-E1033 VanDerWaalsContact CE2-CD 3.43Å; Y995-E1033 HydrophobicContact CE2-CG 3.84Å; Y995-E1033 WeakPolarHBondContact CE2-OE2 3.46Å; Y995-E1033 PolarHBondContact OH-OE2 2.7Å; Y995-R1042 PolarHBondContact OH-NH1 2.76Å; Y995-E1770 VanDerWaalsContact CE1-OE1 3.23Å; Y995-E1770 WeakPolarHBondContact CE1-OE1 2.86Å; Y995-E1770 PolarHBondContact OH-OE1 2.88Å
996I85.5Confident67.8Low4 Ų454.9 Ų54.92%0.02129%0.288CS..EExtended strand (participates in β ladder)trans-131.3138.5175.2-174.8164.9000111.2L974 F1006 Q1007 F1009 I1019 L1022 Y1028 V1030L974-I996 HydrophobicContact CD1-CD1 4.22Å; I996-F1006 WeakPolarHBondContact O-CA 3.49Å; I996-Q1007 HydrophobicContact CG2-CB 3.67Å; I996-Q1007 PolarHBondContact N-O 3.49Å; I996-Q1007 PolarHBondContact O-N 3.2Å; I996-F1009 HydrophobicContact CG2-CE2 3.98Å; I996-I1019 HydrophobicContact CB-CD1 3.96Å; I996-I1019 HydrophobicContact CD1-CD1 3.89Å; I996-I1019 HydrophobicContact CD1-CG2 3.97Å; I996-I1019 HydrophobicContact CG2-CD1 3.97Å; I996-I1019 HydrophobicContact CG2-CG2 3.97Å; I996-L1022 HydrophobicContact CD1-CD1 3.71Å; I996-L1022 HydrophobicContact CD1-CD2 3.95Å; I996-Y1028 HydrophobicContact CD1-CD1 3.83Å; I996-Y1028 HydrophobicContact CD1-CG 4Å; I996-Y1028 HydrophobicContact CG1-CD1 3.7Å; I996-Y1028 HydrophobicContact CG1-CG 4.22Å; I996-V1030 HydrophobicContact CB-CG2 3.75Å; I996-V1030 HydrophobicContact CD1-CG2 3.66Å; I996-V1030 HydrophobicContact CG1-CG2 3.53Å
997H79.2Confident68.6Low19 Ų1958.3 Ų58.39%0.08830%0.3CS..EExtended strand (participates in β ladder)trans-150.1157.7169.373.7116.4000111.1T999 T1001 F1006 Y1028 T1029H997-T999 PolarHBondContact O-N 3.27Å; H997-T1001 PolarHBondContact CE1-O 2.82Å; H997-T1001 VanDerWaalsContact CE1-O 3.25Å; H997-T1001 PolarHBondContact ND1-O 3.23Å; H997-T1001 PolarHBondContact ND1-OG1 2.85Å; H997-F1006 HydrophobicContact CB-CD1 3.81Å; H997-F1006 HydrophobicContact CB-CE1 4.06Å; H997-F1006 HydrophobicContact CB-CG 4.49Å; H997-F1006 AromaticContact CD2-CD1 3.48Å; H997-F1006 VanDerWaalsContact CD2-CD1 3.48Å; H997-F1006 WeakPolarHBondContact CD2-CD1 3.45Å; H997-F1006 AromaticContact CD2-CE1 3.04Å; H997-F1006 WeakPolarHBondContact CD2-CE1 3.41Å; H997-F1006 AromaticContact CG-CD1 3.78Å; H997-F1006 AromaticContact CG-CE1 3.52Å; H997-F1006 AromaticContact NE2-CE1 3.46Å; H997-F1006 WeakPolarHBondContact NE2-CE1 3.38Å; H997-Y1028 CarbonylContact O-C 3.45Å; H997-Y1028 WeakPolarHBondContact O-CA 3.41Å; H997-T1029 PolarHBondContact CD2-O 2.97Å; H997-T1029 PolarHBondContact N-O 2.91Å; H997-T1029 WeakPolarHBondContact NE2-CB 3.19Å; H997-T1029 PolarHBondContact O-N 3.08Å
998P74.1Confident69.7Low33 Ų3360.4 Ų60.421%0.21431%0.309CS..EExtended strand (participates in β ladder)trans-64.5132.1171.2-15.228.4000110.9F1000 T1001 V1026 Y1028P998-F1000 HydrophobicContact CB-CD1 3.79Å; P998-F1000 HydrophobicContact CB-CE1 3.29Å; P998-F1000 HydrophobicContact CB-CE2 4.11Å; P998-F1000 HydrophobicContact CB-CG 4.4Å; P998-F1000 HydrophobicContact CB-CZ 3.47Å; P998-F1000 VanDerWaalsContact CB-CZ 3.47Å; P998-F1000 HydrophobicContact CG-CE1 4.32Å; P998-F1000 HydrophobicContact CG-CZ 4.08Å; P998-F1000 PolarHBondContact O-N 2.85Å; P998-T1001 PolarHBondContact O-N 3.22Å; P998-T1001 PolarHBondContact O-OG1 2.69Å; P998-V1026 HydrophobicContact CB-CG1 4.2Å; P998-Y1028 HydrophobicContact CB-CE1 4.31Å; P998-Y1028 HydrophobicContact CG-CD1 4.38Å; P998-Y1028 HydrophobicContact CG-CE1 3.83Å
999T68.2Low70.2Confident59 Ų5959.3 Ų59.336%0.36230%0.301SS..THydrogen-bonded Turntrans-59-16.8-171.9-48.80000114.3H997 N1027 T1029 T1050H997-T999 PolarHBondContact O-N 3.27Å; T999-N1027 WeakPolarHBondContact CB-O 2.98Å; T999-N1027 PolarHBondContact N-O 2.85Å; T999-N1027 WeakPolarHBondContact OG1-CB 3.32Å; T999-N1027 PolarHBondContact OG1-O 3.01Å; T999-T1029 WeakPolarHBondContact CA-OG1 3.21Å; T999-T1029 VanDerWaalsContact CB-OG1 3.31Å; T999-T1029 WeakPolarHBondContact CB-OG1 3.5Å; T999-T1029 WeakPolarHBondContact CG2-OG1 3.22Å; T999-T1029 PolarHBondContact OG1-N 3.44Å; T999-T1029 PolarHBondContact OG1-OG1 2.81Å; T999-T1050 HydrophobicContact CG2-CG2 3.99Å; T999-T1050 WeakPolarHBondContact OG1-CG2 3.49Å
1000F67.5Low71Confident152 Ų15263.3 Ų63.367%0.66732%0.322SS*.THydrogen-bonded Turntrans-85-0.3177.759.1-98.1000114.6P998 V1026P998-F1000 HydrophobicContact CB-CD1 3.79Å; P998-F1000 HydrophobicContact CB-CE1 3.29Å; P998-F1000 HydrophobicContact CB-CE2 4.11Å; P998-F1000 HydrophobicContact CB-CG 4.4Å; P998-F1000 HydrophobicContact CB-CZ 3.47Å; P998-F1000 VanDerWaalsContact CB-CZ 3.47Å; P998-F1000 HydrophobicContact CG-CE1 4.32Å; P998-F1000 HydrophobicContact CG-CZ 4.08Å; P998-F1000 PolarHBondContact O-N 2.85Å; F1000-V1026 HydrophobicContact CD1-CG1 4.42Å; F1000-V1026 HydrophobicContact CE1-CG1 3.76Å
1001T55.4Low71.4Confident45 Ų4562.4 Ų62.428%0.27632%0.317SS..  trans-103.1115.9177.451.50000110.8H997 P998H997-T1001 PolarHBondContact CE1-O 2.82Å; H997-T1001 VanDerWaalsContact CE1-O 3.25Å; H997-T1001 PolarHBondContact ND1-O 3.23Å; H997-T1001 PolarHBondContact ND1-OG1 2.85Å; P998-T1001 PolarHBondContact O-N 3.22Å; P998-T1001 PolarHBondContact O-OG1 2.69Å
1002V48.7Very low71.5Confident126 Ų12665 Ų6576%0.76434%0.335SS*.SBendtrans-81.6-25.6-174.6-167.60000111.7
1003F39.5Very low71.1Confident195 Ų19572.6 Ų72.686%0.85537%0.37SS*.SBendtrans-156.5100175.6-69.2-80.4000110
1004G46.4Very low70.8Confident35 Ų3574.3 Ų74.336%0.36138%0.382SS..SBendtrans177.3125.5175.600000115.1F1006G1004-F1006 PolarHBondContact O-N 3.13Å
1005H50.4Low70.6Confident193 Ų19377.4 Ų77.489%0.89440%0.399SS*.  trans22.482.6170.3-78.1-76.8000116.5Q1007H1005-Q1007 PolarHBondContact O-N 2.93Å
1006F60.5Low70.7Confident65 Ų6579.8 Ų79.829%0.28541%0.413SS..  trans-63.5131.8162.4-59.6-92.3000109.3Y995 I996 H997 G1004 K1008 Y1031Y995-F1006 HydrophobicContact CD1-CB 3.8Å; Y995-F1006 HydrophobicContact CD1-CG 4.29Å; Y995-F1006 HydrophobicContact CG-CB 4.39Å; I996-F1006 WeakPolarHBondContact O-CA 3.49Å; H997-F1006 HydrophobicContact CB-CD1 3.81Å; H997-F1006 HydrophobicContact CB-CE1 4.06Å; H997-F1006 HydrophobicContact CB-CG 4.49Å; H997-F1006 AromaticContact CD2-CD1 3.48Å; H997-F1006 VanDerWaalsContact CD2-CD1 3.48Å; H997-F1006 WeakPolarHBondContact CD2-CD1 3.45Å; H997-F1006 AromaticContact CD2-CE1 3.04Å; H997-F1006 WeakPolarHBondContact CD2-CE1 3.41Å; H997-F1006 AromaticContact CG-CD1 3.78Å; H997-F1006 AromaticContact CG-CE1 3.52Å; H997-F1006 AromaticContact NE2-CE1 3.46Å; H997-F1006 WeakPolarHBondContact NE2-CE1 3.38Å; G1004-F1006 PolarHBondContact O-N 3.13Å; F1006-K1008 PolarHBondContact O-N 3.04Å; F1006-Y1031 AromaticContact CD1-CE1 3.82Å; F1006-Y1031 HydrophobicContact CD1-CE1 3.82Å; F1006-Y1031 HydrophobicContact CE1-CD1 4.46Å; F1006-Y1031 AromaticContact CE1-CE1 3.5Å; F1006-Y1031 HydrophobicContact CE1-CE1 3.5Å; F1006-Y1031 VanDerWaalsContact CE1-CE1 3.5Å; F1006-Y1031 HydrophobicContact CZ-CE1 4.14Å
1007Q69.8Low70.6Confident99 Ų9979.7 Ų79.746%0.46341%0.413SS..EExtended strand (participates in β ladder)trans-72.7125.9161.8-83.1-179.9-6.700107.9Y995 I996 H1005 F1009Y995-Q1007 WeakPolarHBondContact CA-O 3.26Å; I996-Q1007 HydrophobicContact CG2-CB 3.67Å; I996-Q1007 PolarHBondContact N-O 3.49Å; I996-Q1007 PolarHBondContact O-N 3.2Å; H1005-Q1007 PolarHBondContact O-N 2.93Å; Q1007-F1009 HydrophobicContact CB-CE2 3.87Å; Q1007-F1009 HydrophobicContact CB-CZ 4.31Å
1008K80.2Confident70.8Confident65 Ų6581.6 Ų81.628%0.28342%0.424SS..EExtended strand (participates in β ladder)trans-108.9133.2-175.3179.4178.2-177.8159.20110.8V994 Y995 F1006 N1010 E1770V994-K1008 CarbonylContact O-C 3.59Å; V994-K1008 WeakPolarHBondContact O-CA 3.41Å; Y995-K1008 HydrophobicContact CD1-CB 4.29Å; Y995-K1008 HydrophobicContact CD1-CG 4.37Å; Y995-K1008 HydrophobicContact CE1-CB 4.28Å; Y995-K1008 HydrophobicContact CE1-CD 3.85Å; Y995-K1008 HydrophobicContact CE1-CG 4.01Å; Y995-K1008 PolarHBondContact OH-NZ 2.99Å; F1006-K1008 PolarHBondContact O-N 3.04Å; K1008-N1010 VanDerWaalsContact CE-OD1 3.27Å; K1008-N1010 WeakPolarHBondContact CE-OD1 3.32Å; K1008-E1770 IonicContact NZ-OE1 3.15Å; K1008-E1770 PolarHBondContact NZ-OE1 3.19Å
1009F79.7Confident71.1Confident56 Ų5680 Ų8025%0.24641%0.414CS..EExtended strand (participates in β ladder)trans-124.9125.8175.8-57.4-94.3000110L993 V994 I996 Q1007 C1017 I1019L993-F1009 WeakPolarHBondContact CA-O 3.32Å; V994-F1009 HydrophobicContact CB-CB 4.29Å; V994-F1009 PolarHBondContact N-O 2.96Å; V994-F1009 PolarHBondContact O-N 2.88Å; I996-F1009 HydrophobicContact CG2-CE2 3.98Å; Q1007-F1009 HydrophobicContact CB-CE2 3.87Å; Q1007-F1009 HydrophobicContact CB-CZ 4.31Å; F1009-C1017 WeakPolarHBondContact CB-SG 3.31Å; F1009-I1019 HydrophobicContact CD2-CD1 4.23Å; F1009-I1019 HydrophobicContact CD2-CG1 4.01Å; F1009-I1019 HydrophobicContact CE2-CB 4.28Å; F1009-I1019 HydrophobicContact CE2-CD1 4.11Å; F1009-I1019 HydrophobicContact CE2-CG1 3.79Å; F1009-I1019 HydrophobicContact CE2-CG2 3.78Å; F1009-I1019 HydrophobicContact CZ-CB 4.32Å; F1009-I1019 HydrophobicContact CZ-CG1 4.2Å; F1009-I1019 HydrophobicContact CZ-CG2 3.8Å
1010N84.6Confident71.4Confident108 Ų10883.6 Ų83.658%0.57842%0.424SS*.EExtended strand (participates in β ladder)trans-96.5120.6176.5-65.1-3.8000109.4L993 K1008L993-N1010 HydrophobicContact CD2-CB 4.24Å; L993-N1010 WeakPolarHBondContact CD2-OD1 3.26Å; K1008-N1010 VanDerWaalsContact CE-OD1 3.27Å; K1008-N1010 WeakPolarHBondContact CE-OD1 3.32Å
1011I84.6Confident71.7Confident35 Ų3581.4 Ų81.418%0.17943%0.428CS..EExtended strand (participates in β ladder)trans-123.2124.5-176.6-55.7-60.2000108.9W978 C991 F992 V994 S1014 V1016 C1017W978-I1011 HydrophobicContact CH2-CB 4.15Å; W978-I1011 HydrophobicContact CH2-CG1 4.09Å; W978-I1011 HydrophobicContact CH2-CG2 4.22Å; W978-I1011 HydrophobicContact CZ2-CB 4.21Å; W978-I1011 HydrophobicContact CZ2-CG2 4.18Å; C991-I1011 CarbonylContact C-O 3.6Å; C991-I1011 WeakPolarHBondContact CA-O 3.12Å; F992-I1011 PolarHBondContact N-O 3.05Å; F992-I1011 PolarHBondContact O-N 3.44Å; V994-I1011 HydrophobicContact CG2-CG1 4.43Å; I1011-S1014 VanDerWaalsContact CG2-O 3.31Å; I1011-S1014 WeakPolarHBondContact CG2-O 3.42Å; I1011-V1016 WeakPolarHBondContact CG2-O 3.28Å; I1011-C1017 HydrophobicContact CD1-CB 4.19Å; I1011-C1017 HydrophobicContact CG1-CB 3.9Å
1012C81.7Confident72.6Confident65 Ų6579.7 Ų79.744%0.43942%0.417SS..EExtended strand (participates in β ladder)trans-122.3145.1178.3-66.30000111.1N990 C991 S1014N990-C1012 CarbonylContact O-C 3.56Å; N990-C1012 WeakPolarHBondContact O-CA 3.44Å; C991-C1012 HydrophobicContact CB-CB 4.12Å; C991-C1012 WeakPolarHBondContact CB-SG 3.49Å; C991-C1012 WeakPolarHBondContact SG-CB 3.49Å; C991-C1012 CovalentContact SG-SG 2.05Å; C991-C1012 PolarHBondContact SG-SG 2.83Å; C1012-S1014 PolarHBondContact O-N 2.82Å; C1012-S1014 VanDerWaalsContact O-N 3.1Å
1013H77.4Confident73.3Confident162 Ų16277 Ų7775%0.7540%0.403SS*.SBendtrans54.223.5-176.8-48.399.5000113.9N990N990-H1013 PolarHBondContact O-N 3.01Å
1014S80.4Confident74.3Confident43 Ų4370.8 Ų70.830%0.30138%0.382SS..  trans-148.9147.2-179.2175.30000108.8F992 I1011 C1012 V1016F992-S1014 WeakPolarHBondContact CD2-O 3.41Å; I1011-S1014 VanDerWaalsContact CG2-O 3.31Å; I1011-S1014 WeakPolarHBondContact CG2-O 3.42Å; C1012-S1014 PolarHBondContact O-N 2.82Å; C1012-S1014 VanDerWaalsContact O-N 3.1Å; S1014-V1016 PolarHBondContact OG-N 2.95Å
1015N84.5Confident75Confident65 Ų6571.3 Ų71.335%0.34839%0.387SS..SBendtrans-109.120.8-178.5-47.5-13.4000110.5V977 W978V977-N1015 WeakPolarHBondContact CA-O 3.33Å; V977-N1015 VanDerWaalsContact CG1-O 3.3Å; V977-N1015 WeakPolarHBondContact CG1-O 3.16Å; W978-N1015 PolarHBondContact N-O 2.74Å; W978-N1015 VanDerWaalsContact N-O 3.11Å; W978-N1015 WeakPolarHBondContact O-CB 3.42Å
1016V85.9Confident75.7Confident51 Ų5163.9 Ų63.931%0.30936%0.355SS..EExtended strand (participates in β ladder)trans-132.9138.9-171.4103.70000110.8R975 V976 V977 I1011 S1014R975-V1016 HydrophobicContact CG-CG2 4.13Å; V976-V1016 CarbonylContact O-C 3.55Å; V976-V1016 WeakPolarHBondContact O-CA 3.12Å; V977-V1016 HydrophobicContact CB-CG2 4.21Å; V977-V1016 HydrophobicContact CG1-CG2 3.98Å; V977-V1016 HydrophobicContact CG2-CG2 3.38Å; I1011-V1016 WeakPolarHBondContact CG2-O 3.28Å; S1014-V1016 PolarHBondContact OG-N 2.95Å
1017C84.4Confident76.3Confident2 Ų264.5 Ų64.51%0.01436%0.362CS..EExtended strand (participates in β ladder)trans-135130.1176.1-175.40000112.3R975 V976 W978 V994 F1009 I1011R975-C1017 CarbonylContact C-O 3.52Å; R975-C1017 WeakPolarHBondContact CA-O 3.29Å; V976-C1017 HydrophobicContact CB-CB 4.4Å; V976-C1017 PolarHBondContact N-O 3.43Å; V976-C1017 PolarHBondContact O-N 2.86Å; W978-C1017 HydrophobicContact CH2-CB 3.84Å; W978-C1017 HydrophobicContact CZ3-CB 3.79Å; V994-C1017 HydrophobicContact CB-CB 4.31Å; V994-C1017 HydrophobicContact CG1-CB 4.38Å; V994-C1017 HydrophobicContact CG2-CB 3.7Å; F1009-C1017 WeakPolarHBondContact CB-SG 3.31Å; I1011-C1017 HydrophobicContact CD1-CB 4.19Å; I1011-C1017 HydrophobicContact CG1-CB 3.9Å
1018D82.1Confident76.7Confident60 Ų6060.5 Ų60.532%0.32134%0.343SS..EExtended strand (participates in β ladder)trans-100.8112.4175.7-82.9-49.4000112.3R975R975-D1018 IonicContact CZ-OD1 3.57Å; R975-D1018 IonicContact CZ-OD2 3Å; R975-D1018 IonicContact NE-OD1 3.27Å; R975-D1018 PolarHBondContact NE-OD1 2.85Å; R975-D1018 IonicContact NE-OD2 2.73Å; R975-D1018 PolarHBondContact NE-OD2 2.86Å; R975-D1018 VanDerWaalsContact NH2-CG 3.34Å; R975-D1018 IonicContact NH2-OD1 3.88Å; R975-D1018 PolarHBondContact NH2-OD1 2.85Å; R975-D1018 VanDerWaalsContact NH2-OD1 3.16Å; R975-D1018 IonicContact NH2-OD2 3.45Å; R975-D1018 PolarHBondContact NH2-OD2 2.86Å
1019I81Confident76.8Confident0 Ų058 Ų580%033%0.333CS..EExtended strand (participates in β ladder)trans-107.3116.3-177.8-53.6178.5000109.7Q973 L974 V976 V994 I996 F1009 L1022Q973-I1019 CarbonylContact C-O 3.58Å; Q973-I1019 WeakPolarHBondContact CA-O 3.34Å; Q973-I1019 WeakPolarHBondContact CG-O 3.3Å; L974-I1019 PolarHBondContact N-O 2.92Å; L974-I1019 WeakPolarHBondContact O-CA 3.29Å; L974-I1019 VanDerWaalsContact O-CB 3.32Å; L974-I1019 WeakPolarHBondContact O-CB 3.34Å; L974-I1019 PolarHBondContact O-N 2.84Å; V976-I1019 HydrophobicContact CG2-CD1 3.55Å; V976-I1019 HydrophobicContact CG2-CG1 4.28Å; V994-I1019 HydrophobicContact CG1-CD1 4.06Å; I996-I1019 HydrophobicContact CB-CD1 3.96Å; I996-I1019 HydrophobicContact CD1-CD1 3.89Å; I996-I1019 HydrophobicContact CD1-CG2 3.97Å; I996-I1019 HydrophobicContact CG2-CD1 3.97Å; I996-I1019 HydrophobicContact CG2-CG2 3.97Å; F1009-I1019 HydrophobicContact CD2-CD1 4.23Å; F1009-I1019 HydrophobicContact CD2-CG1 4.01Å; F1009-I1019 HydrophobicContact CE2-CB 4.28Å; F1009-I1019 HydrophobicContact CE2-CD1 4.11Å; F1009-I1019 HydrophobicContact CE2-CG1 3.79Å; F1009-I1019 HydrophobicContact CE2-CG2 3.78Å; F1009-I1019 HydrophobicContact CZ-CB 4.32Å; F1009-I1019 HydrophobicContact CZ-CG1 4.2Å; F1009-I1019 HydrophobicContact CZ-CG2 3.8Å; I1019-L1022 HydrophobicContact CB-CD1 4.48Å; I1019-L1022 HydrophobicContact CG2-CD1 3.94Å; I1019-L1022 HydrophobicContact CG2-CD2 3.97Å; I1019-L1022 HydrophobicContact CG2-CG 4.2Å
1020K75.1Confident77.1Confident133 Ų13355.4 Ų55.458%0.57832%0.321SS*.EExtended strand (participates in β ladder)trans-106.9166.6-177.5-64175.2-177.7177.30111.7T972 Q973T972-K1020 CarbonylContact O-C 3.57Å; Q973-K1020 HydrophobicContact CG-CB 4.47Å; Q973-K1020 HydrophobicContact CG-CG 3.79Å
1021S74.6Confident77.3Confident107 Ų10751 Ų5175%0.74830%0.297SS*.SBendtrans69.340.4174.7-52.20000116.3T972T972-S1021 WeakPolarHBondContact O-CA 3.15Å; T972-S1021 PolarHBondContact O-N 2.86Å
1022L72.7Confident77.5Confident9 Ų949.3 Ų49.35%0.04729%0.288CS..PPolyproline II helixtrans-93.3163.2178.4-55.5178.2000112.4T972 L974 I996 I1019 Y1028T972-L1022 WeakPolarHBondContact CA-O 3.4Å; T972-L1022 WeakPolarHBondContact CB-O 3.24Å; T972-L1022 VanDerWaalsContact CG2-O 3.22Å; T972-L1022 WeakPolarHBondContact CG2-O 3.36Å; T972-L1022 PolarHBondContact O-N 2.85Å; L974-L1022 HydrophobicContact CB-CD1 3.64Å; L974-L1022 HydrophobicContact CD1-CD1 3.43Å; L974-L1022 VanDerWaalsContact CD1-CD1 3.43Å; L974-L1022 HydrophobicContact CG-CD1 3.8Å; I996-L1022 HydrophobicContact CD1-CD1 3.71Å; I996-L1022 HydrophobicContact CD1-CD2 3.95Å; I1019-L1022 HydrophobicContact CB-CD1 4.48Å; I1019-L1022 HydrophobicContact CG2-CD1 3.94Å; I1019-L1022 HydrophobicContact CG2-CD2 3.97Å; I1019-L1022 HydrophobicContact CG2-CG 4.2Å; L1022-Y1028 HydrophobicContact CB-CE2 3.83Å; L1022-Y1028 HydrophobicContact CD2-CD1 4.27Å; L1022-Y1028 HydrophobicContact CD2-CE1 3.8Å; L1022-Y1028 HydrophobicContact CD2-CE2 4.47Å
1023C64.1Low77.8Confident69 Ų6947.1 Ų47.147%0.46627%0.272SS..PPolyproline II helixtrans-89.1127.1179.2-66.20000111.4S971 V1026 Y1028 A1053S971-C1023 CarbonylContact O-C 3.59Å; C1023-V1026 HydrophobicContact CB-CB 4.22Å; C1023-V1026 HydrophobicContact CB-CG2 3.73Å; C1023-V1026 WeakPolarHBondContact O-CB 3.47Å; C1023-V1026 PolarHBondContact O-N 2.98Å; C1023-Y1028 WeakPolarHBondContact CB-OH 3.25Å; C1023-Y1028 PolarHBondContact N-OH 2.84Å; C1023-A1053 WeakPolarHBondContact O-CB 3.19Å
1024P59.6Low78.1Confident65 Ų6539.4 Ų39.442%0.42224%0.236SC..THydrogen-bonded Turntrans-65.2141.4179.3-14.826000112.6S971 T972 V1026S971-P1024 WeakPolarHBondContact O-CA 3.31Å; S971-P1024 WeakPolarHBondContact O-CB 3.45Å; S971-P1024 WeakPolarHBondContact O-CD 3.06Å; S971-P1024 VanDerWaalsContact O-CG 3.25Å; S971-P1024 WeakPolarHBondContact O-CG 3.48Å; S971-P1024 VanDerWaalsContact O-N 3.09Å; T972-P1024 HydrophobicContact CG2-CG 4.11Å; P1024-V1026 PolarHBondContact O-N 2.86Å
1025G62.2Low78Confident45 Ų4539.1 Ų39.146%0.46423%0.229SC..THydrogen-bonded Turntrans76.61.4-179.800000115.2A1053G1025-A1053 WeakPolarHBondContact CA-O 3.22Å; G1025-A1053 PolarHBondContact N-O 2.96Å
1026V65.2Low77.6Confident37 Ų3736 Ų3622%0.22421%0.213CC..  trans-95135.3-178.8176.20000110.5P998 F1000 C1023 P1024 Y1028 A1053P998-V1026 HydrophobicContact CB-CG1 4.2Å; F1000-V1026 HydrophobicContact CD1-CG1 4.42Å; F1000-V1026 HydrophobicContact CE1-CG1 3.76Å; C1023-V1026 HydrophobicContact CB-CB 4.22Å; C1023-V1026 HydrophobicContact CB-CG2 3.73Å; C1023-V1026 WeakPolarHBondContact O-CB 3.47Å; C1023-V1026 PolarHBondContact O-N 2.98Å; P1024-V1026 PolarHBondContact O-N 2.86Å; V1026-Y1028 HydrophobicContact CB-CD2 4.38Å; V1026-Y1028 HydrophobicContact CB-CE2 3.84Å; V1026-Y1028 HydrophobicContact CG1-CD2 4.26Å; V1026-Y1028 HydrophobicContact CG1-CE2 3.88Å; V1026-Y1028 WeakPolarHBondContact O-CD2 3.23Å; V1026-Y1028 PolarHBondContact O-N 3.34Å; V1026-A1053 PolarHBondContact O-N 2.8Å
1027N73.7Confident76.5Confident78 Ų7836.4 Ų36.442%0.41722%0.218SC..EExtended strand (participates in β ladder)trans-73.6120.8169.4-67.9-3.9000108.6T999 T1050 V1052T999-N1027 WeakPolarHBondContact CB-O 2.98Å; T999-N1027 PolarHBondContact N-O 2.85Å; T999-N1027 WeakPolarHBondContact OG1-CB 3.32Å; T999-N1027 PolarHBondContact OG1-O 3.01Å; N1027-T1050 HydrophobicContact CB-CG2 4.01Å; N1027-V1052 WeakPolarHBondContact OD1-CG2 3.27Å
1028Y77.2Confident75.4Confident16 Ų1640.2 Ų40.26%0.06324%0.241CC..EExtended strand (participates in β ladder)trans-105.7132.7171.3-76.5-86.4000109L974 I996 H997 P998 L1022 C1023 V1026 T1050 A1051 A1053L974-Y1028 HydrophobicContact CD1-CD2 4.2Å; L974-Y1028 HydrophobicContact CD1-CG 4.33Å; I996-Y1028 HydrophobicContact CD1-CD1 3.83Å; I996-Y1028 HydrophobicContact CD1-CG 4Å; I996-Y1028 HydrophobicContact CG1-CD1 3.7Å; I996-Y1028 HydrophobicContact CG1-CG 4.22Å; H997-Y1028 CarbonylContact O-C 3.45Å; H997-Y1028 WeakPolarHBondContact O-CA 3.41Å; P998-Y1028 HydrophobicContact CB-CE1 4.31Å; P998-Y1028 HydrophobicContact CG-CD1 4.38Å; P998-Y1028 HydrophobicContact CG-CE1 3.83Å; L1022-Y1028 HydrophobicContact CB-CE2 3.83Å; L1022-Y1028 HydrophobicContact CD2-CD1 4.27Å; L1022-Y1028 HydrophobicContact CD2-CE1 3.8Å; L1022-Y1028 HydrophobicContact CD2-CE2 4.47Å; C1023-Y1028 WeakPolarHBondContact CB-OH 3.25Å; C1023-Y1028 PolarHBondContact N-OH 2.84Å; V1026-Y1028 HydrophobicContact CB-CD2 4.38Å; V1026-Y1028 HydrophobicContact CB-CE2 3.84Å; V1026-Y1028 HydrophobicContact CG1-CD2 4.26Å; V1026-Y1028 HydrophobicContact CG1-CE2 3.88Å; V1026-Y1028 WeakPolarHBondContact O-CD2 3.23Å; V1026-Y1028 PolarHBondContact O-N 3.34Å; Y1028-T1050 CarbonylContact O-C 3.53Å; Y1028-T1050 WeakPolarHBondContact O-CA 3.24Å; Y1028-A1051 PolarHBondContact N-O 2.85Å; Y1028-A1051 PolarHBondContact O-N 2.85Å; Y1028-A1053 HydrophobicContact CD2-CB 4.12Å; Y1028-A1053 HydrophobicContact CE2-CB 4.14Å
1029T82.4Confident74.4Confident13 Ų1343.6 Ų43.68%0.0825%0.25CC..EExtended strand (participates in β ladder)trans-95.8127.5170-58.70000108.3H997 T999 Y1048 I1049H997-T1029 PolarHBondContact CD2-O 2.97Å; H997-T1029 PolarHBondContact N-O 2.91Å; H997-T1029 WeakPolarHBondContact NE2-CB 3.19Å; H997-T1029 PolarHBondContact O-N 3.08Å; T999-T1029 WeakPolarHBondContact CA-OG1 3.21Å; T999-T1029 VanDerWaalsContact CB-OG1 3.31Å; T999-T1029 WeakPolarHBondContact CB-OG1 3.5Å; T999-T1029 WeakPolarHBondContact CG2-OG1 3.22Å; T999-T1029 PolarHBondContact OG1-N 3.44Å; T999-T1029 PolarHBondContact OG1-OG1 2.81Å; T1029-Y1048 HydrophobicContact CG2-CD1 3.63Å; T1029-Y1048 HydrophobicContact CG2-CG 4.17Å; T1029-I1049 CarbonylContact C-O 3.57Å; T1029-I1049 WeakPolarHBondContact CA-O 3.42Å
1030V85.8Confident73.7Confident0 Ų044.5 Ų44.50%026%0.259CS..EExtended strand (participates in β ladder)trans-123145.2176.6176.80000109.8F966 V976 V994 Y995 I996 I1049F966-V1030 HydrophobicContact CE1-CB 3.88Å; F966-V1030 HydrophobicContact CE1-CG1 4.32Å; F966-V1030 HydrophobicContact CE1-CG2 3.56Å; F966-V1030 HydrophobicContact CZ-CB 3.58Å; F966-V1030 HydrophobicContact CZ-CG1 4.38Å; F966-V1030 HydrophobicContact CZ-CG2 3.56Å; V976-V1030 HydrophobicContact CB-CG1 4.47Å; V976-V1030 HydrophobicContact CG1-CG1 3.75Å; V976-V1030 HydrophobicContact CG2-CG1 3.89Å; V976-V1030 HydrophobicContact CG2-CG2 4.49Å; V994-V1030 HydrophobicContact CG1-CG1 3.89Å; Y995-V1030 VanDerWaalsContact O-CA 3.23Å; Y995-V1030 WeakPolarHBondContact O-CA 3.49Å; Y995-V1030 WeakPolarHBondContact O-CG1 3.41Å; I996-V1030 HydrophobicContact CB-CG2 3.75Å; I996-V1030 HydrophobicContact CD1-CG2 3.66Å; I996-V1030 HydrophobicContact CG1-CG2 3.53Å; V1030-I1049 HydrophobicContact CB-CD1 4.46Å; V1030-I1049 HydrophobicContact CB-CG1 3.98Å; V1030-I1049 HydrophobicContact CG1-CG1 4.49Å; V1030-I1049 PolarHBondContact N-O 3.15Å; V1030-I1049 VanDerWaalsContact O-CG1 3.25Å; V1030-I1049 WeakPolarHBondContact O-CG1 3.4Å; V1030-I1049 PolarHBondContact O-N 3.06Å
1031Y88.6Confident73.3Confident15 Ų1539.5 Ų39.56%0.05924%0.239CC..EExtended strand (participates in β ladder)trans-143.8159.9164.664.2-87.1000109.4Y995 F1006 E1033 P1045 Y1048Y995-Y1031 VanDerWaalsContact CB-CZ 3.49Å; Y995-Y1031 AromaticContact CD2-CD2 3.85Å; Y995-Y1031 HydrophobicContact CD2-CD2 3.85Å; Y995-Y1031 AromaticContact CD2-CE2 3.29Å; Y995-Y1031 HydrophobicContact CD2-CE2 3.29Å; Y995-Y1031 AromaticContact CD2-CZ 3.71Å; Y995-Y1031 AromaticContact CE2-CE2 3.88Å; Y995-Y1031 HydrophobicContact CE2-CE2 3.88Å; Y995-Y1031 HydrophobicContact CG-CD2 4.41Å; Y995-Y1031 HydrophobicContact CG-CE1 4.21Å; Y995-Y1031 AromaticContact CG-CE2 3.69Å; Y995-Y1031 HydrophobicContact CG-CE2 3.69Å; Y995-Y1031 AromaticContact CG-CZ 3.57Å; Y995-Y1031 PolarHBondContact N-O 2.98Å; Y995-Y1031 PolarHBondContact O-N 2.98Å; Y995-Y1031 VanDerWaalsContact O-N 3.13Å; F1006-Y1031 AromaticContact CD1-CE1 3.82Å; F1006-Y1031 HydrophobicContact CD1-CE1 3.82Å; F1006-Y1031 HydrophobicContact CE1-CD1 4.46Å; F1006-Y1031 AromaticContact CE1-CE1 3.5Å; F1006-Y1031 HydrophobicContact CE1-CE1 3.5Å; F1006-Y1031 VanDerWaalsContact CE1-CE1 3.5Å; F1006-Y1031 HydrophobicContact CZ-CE1 4.14Å; Y1031-E1033 HydrophobicContact CD2-CG 4.26Å; Y1031-E1033 HydrophobicContact CE2-CG 4.14Å; Y1031-P1045 HydrophobicContact CD2-CB 3.51Å; Y1031-P1045 HydrophobicContact CD2-CG 4.11Å; Y1031-P1045 HydrophobicContact CE2-CB 3.94Å; Y1031-P1045 HydrophobicContact CE2-CG 4.01Å; Y1031-P1045 HydrophobicContact CG-CB 4.02Å; Y1031-Y1048 AromaticContact CD1-CD1 3.61Å; Y1031-Y1048 HydrophobicContact CD1-CD1 3.61Å; Y1031-Y1048 AromaticContact CD1-CE1 3.3Å; Y1031-Y1048 HydrophobicContact CD1-CE1 3.3Å; Y1031-Y1048 HydrophobicContact CE1-CD1 4.38Å; Y1031-Y1048 AromaticContact CE1-CE1 3.69Å; Y1031-Y1048 HydrophobicContact CE1-CE1 3.69Å; Y1031-Y1048 HydrophobicContact CG-CD1 4.16Å; Y1031-Y1048 AromaticContact CG-CE1 3.93Å; Y1031-Y1048 HydrophobicContact CG-CE1 3.93Å
1032V88.1Confident73.4Confident0 Ų035.6 Ų35.60%021%0.208CC..EExtended strand (participates in β ladder)trans-123.6138.6-179.6-1700000108.9P961 V964 V976 W978 F992 L993 V994 S1046P961-V1032 WeakPolarHBondContact CD-O 3.03Å; P961-V1032 HydrophobicContact CG-CB 4.04Å; P961-V1032 HydrophobicContact CG-CG1 3.79Å; V964-V1032 HydrophobicContact CG1-CB 4.35Å; V964-V1032 HydrophobicContact CG1-CG2 3.52Å; V964-V1032 HydrophobicContact CG2-CB 4.39Å; V964-V1032 HydrophobicContact CG2-CG2 4.41Å; V976-V1032 HydrophobicContact CG1-CG2 4.12Å; W978-V1032 HydrophobicContact CD2-CG1 3.93Å; W978-V1032 HydrophobicContact CD2-CG2 4.22Å; W978-V1032 HydrophobicContact CE3-CG1 4.17Å; W978-V1032 HydrophobicContact CE3-CG2 3.78Å; W978-V1032 HydrophobicContact CG-CG1 4.34Å; W978-V1032 HydrophobicContact CZ2-CG1 4.43Å; W978-V1032 HydrophobicContact CZ3-CG2 4.27Å; F992-V1032 HydrophobicContact CB-CG1 3.94Å; F992-V1032 HydrophobicContact CD1-CG1 4.43Å; L993-V1032 CarbonylContact O-C 3.59Å; L993-V1032 WeakPolarHBondContact O-CA 3.34Å; V994-V1032 HydrophobicContact CB-CG2 4.48Å; V994-V1032 HydrophobicContact CG1-CG2 4.24Å; V994-V1032 HydrophobicContact CG2-CG1 4.07Å; V994-V1032 HydrophobicContact CG2-CG2 4.04Å; V1032-S1046 PolarHBondContact N-OG 3.28Å; V1032-S1046 WeakPolarHBondContact O-CB 3.18Å; V1032-S1046 PolarHBondContact O-N 3.36Å; V1032-S1046 PolarHBondContact O-OG 3.15Å
1033E88.2Confident73.7Confident20 Ų2035.3 Ų35.39%0.09321%0.207CC..EExtended strand (participates in β ladder)trans-109.5136.6170.4-62.3174163.600109.3F992 L993 Y995 Y1031 R1042 S1043F992-E1033 CarbonylContact C-O 3.48Å; F992-E1033 VanDerWaalsContact CA-O 3.3Å; F992-E1033 WeakPolarHBondContact CA-O 3.04Å; L993-E1033 HydrophobicContact CB-CB 4.35Å; L993-E1033 PolarHBondContact N-O 3.37Å; L993-E1033 PolarHBondContact O-N 3.02Å; Y995-E1033 HydrophobicContact CD2-CG 4.43Å; Y995-E1033 HydrophobicContact CE2-CB 4.32Å; Y995-E1033 VanDerWaalsContact CE2-CD 3.43Å; Y995-E1033 HydrophobicContact CE2-CG 3.84Å; Y995-E1033 WeakPolarHBondContact CE2-OE2 3.46Å; Y995-E1033 PolarHBondContact OH-OE2 2.7Å; Y1031-E1033 HydrophobicContact CD2-CG 4.26Å; Y1031-E1033 HydrophobicContact CE2-CG 4.14Å; E1033-R1042 WeakPolarHBondContact OE2-CD 3.4Å; E1033-R1042 IonicContact OE2-NH1 2.77Å; E1033-S1043 VanDerWaalsContact CA-OG 3.24Å; E1033-S1043 WeakPolarHBondContact CA-OG 3.4Å
1034S83.7Confident74.2Confident0 Ų037.2 Ų37.20%021%0.212CC..EExtended strand (participates in β ladder)trans-71.3135.3166.6-72.20000109.5N959 P961 R1042 S1043N959-S1034 PolarHBondContact O-OG 3.3Å; P961-S1034 VanDerWaalsContact CD-OG 3.28Å; P961-S1034 WeakPolarHBondContact CD-OG 3.39Å; P961-S1034 WeakPolarHBondContact CG-OG 3.48Å; S1034-R1042 CarbonylContact O-C 3.44Å; S1034-R1042 WeakPolarHBondContact O-CA 3.35Å; S1034-S1043 PolarHBondContact N-OG 2.82Å; S1034-S1043 PolarHBondContact O-N 2.75Å
1035F80Confident75.1Confident37 Ų3736 Ų3616%0.16220%0.204CC..EExtended strand (participates in β ladder)trans-120.9116.3178.4-177.1-101.6000109.7C991 L993 S1037 R1042C991-F1035 HydrophobicContact CB-CB 4.11Å; C991-F1035 HydrophobicContact CB-CD1 3.72Å; C991-F1035 HydrophobicContact CB-CG 4.4Å; C991-F1035 PolarHBondContact N-O 2.88Å; C991-F1035 CarbonylContact O-C 3.48Å; C991-F1035 WeakPolarHBondContact O-CA 3.49Å; C991-F1035 WeakPolarHBondContact O-CB 3.49Å; C991-F1035 PolarHBondContact O-N 3.25Å; L993-F1035 HydrophobicContact CD1-CB 4.34Å; L993-F1035 HydrophobicContact CD1-CD2 4.03Å; L993-F1035 HydrophobicContact CD1-CG 4.49Å; L993-F1035 HydrophobicContact CD2-CB 4.49Å; L993-F1035 HydrophobicContact CG-CB 4.07Å; L993-F1035 HydrophobicContact CG-CD2 4.5Å; L993-F1035 HydrophobicContact CG-CG 4.48Å; F1035-S1037 PolarHBondContact O-N 2.88Å; F1035-R1042 HydrophobicContact CD2-CG 4.06Å
1036D74.8Confident76.1Confident0 Ų034.1 Ų34.10%018%0.183CC..  trans-74.9115.6171.1-171-44.9000109.2F987 N988 T1038 Y1039 G1040 I1041F987-D1036 WeakPolarHBondContact CA-OD2 3.42Å; F987-D1036 HydrophobicContact CB-CB 4.4Å; F987-D1036 VanDerWaalsContact CB-OD2 3.29Å; F987-D1036 WeakPolarHBondContact CB-OD2 3.38Å; F987-D1036 WeakPolarHBondContact CD1-OD2 3.46Å; N988-D1036 PolarHBondContact N-OD2 3.31Å; D1036-T1038 PolarHBondContact O-N 2.72Å; D1036-T1038 VanDerWaalsContact OD1-CA 3.24Å; D1036-T1038 WeakPolarHBondContact OD1-CA 3.42Å; D1036-T1038 WeakPolarHBondContact OD1-CB 3.41Å; D1036-T1038 PolarHBondContact OD1-N 2.82Å; D1036-T1038 PolarHBondContact OD1-OG1 2.98Å; D1036-Y1039 PolarHBondContact OD1-N 2.95Å; D1036-Y1039 WeakPolarHBondContact OD2-CD2 3.33Å; D1036-G1040 VanDerWaalsContact O-CA 3.26Å; D1036-G1040 WeakPolarHBondContact O-CA 3.46Å; D1036-G1040 PolarHBondContact O-N 3.34Å; D1036-I1041 PolarHBondContact N-O 2.88Å; D1036-I1041 VanDerWaalsContact N-O 3.1Å
1037S63.7Low76.8Confident59 Ų5936.8 Ų36.841%0.41320%0.196SC..THydrogen-bonded Turntrans-71.6-18.5179.457.50000113.4N988 F1035N988-S1037 PolarHBondContact O-N 3.12Å; F1035-S1037 PolarHBondContact O-N 2.88Å
1038T60.5Low77.1Confident82 Ų8239.5 Ų39.550%0.50320%0.202SC..THydrogen-bonded Turntrans-83.5-46179.8-470000111N988 D1036N988-T1038 WeakPolarHBondContact CB-OG1 3.26Å; N988-T1038 PolarHBondContact ND2-OG1 2.77Å; D1036-T1038 PolarHBondContact O-N 2.72Å; D1036-T1038 VanDerWaalsContact OD1-CA 3.24Å; D1036-T1038 WeakPolarHBondContact OD1-CA 3.42Å; D1036-T1038 WeakPolarHBondContact OD1-CB 3.41Å; D1036-T1038 PolarHBondContact OD1-N 2.82Å; D1036-T1038 PolarHBondContact OD1-OG1 2.98Å
1039Y60.9Low77.2Confident130 Ų13039.8 Ų39.851%0.5120%0.204SC..THydrogen-bonded Turntrans-105.3-13.8-175.1-58.4-65.4000114.6F987 D1036 I1041F987-Y1039 HydrophobicContact CD1-CD2 4.49Å; D1036-Y1039 PolarHBondContact OD1-N 2.95Å; D1036-Y1039 WeakPolarHBondContact OD2-CD2 3.33Å; Y1039-I1041 VanDerWaalsContact C-N 3.31Å; Y1039-I1041 HydrophobicContact CG-CD1 4.48Å; Y1039-I1041 PolarHBondContact O-N 2.99Å
1040G67.3Low76.9Confident19 Ų1943.1 Ų43.120%0.19623%0.225CC..  trans72.619.3-17900000114.7D1036 Y1774D1036-G1040 VanDerWaalsContact O-CA 3.26Å; D1036-G1040 WeakPolarHBondContact O-CA 3.46Å; D1036-G1040 PolarHBondContact O-N 3.34Å; G1040-Y1774 VanDerWaalsContact O-CE1 3.22Å; G1040-Y1774 WeakPolarHBondContact O-CE1 3.45Å; G1040-Y1774 PolarHBondContact O-OH 2.84Å
1041I66.3Low75.9Confident29 Ų2943.5 Ų43.515%0.14923%0.227CC..  trans-95.7141.2-174.8-52.8168.9000109.6I955 P958 D1036 Y1039I955-I1041 HydrophobicContact CD1-CD1 3.82Å; I955-I1041 HydrophobicContact CG1-CD1 4.35Å; I955-I1041 HydrophobicContact CG2-CD1 4.09Å; I955-I1041 HydrophobicContact CG2-CG2 3.82Å; P958-I1041 HydrophobicContact CG-CG2 4.4Å; D1036-I1041 PolarHBondContact N-O 2.88Å; D1036-I1041 VanDerWaalsContact N-O 3.1Å; Y1039-I1041 VanDerWaalsContact C-N 3.31Å; Y1039-I1041 HydrophobicContact CG-CD1 4.48Å; Y1039-I1041 PolarHBondContact O-N 2.99Å
1042R76.5Confident74.8Confident24 Ų2444.7 Ų44.79%0.09124%0.236CC..BIsolated β-bridgetrans-104.4143.7-179.9-70177.6-113.8-175.910.6112.3T957 P958 L993 Y995 E1033 S1034 F1035 E1770 Y1774T957-R1042 WeakPolarHBondContact CB-O 3.37Å; T957-R1042 WeakPolarHBondContact CG2-O 3.42Å; P958-R1042 WeakPolarHBondContact CD-O 3.3Å; L993-R1042 HydrophobicContact CD1-CG 3.54Å; Y995-R1042 PolarHBondContact OH-NH1 2.76Å; E1033-R1042 WeakPolarHBondContact OE2-CD 3.4Å; E1033-R1042 IonicContact OE2-NH1 2.77Å; S1034-R1042 CarbonylContact O-C 3.44Å; S1034-R1042 WeakPolarHBondContact O-CA 3.35Å; F1035-R1042 HydrophobicContact CD2-CG 4.06Å; R1042-E1770 IonicContact CZ-OE1 3.44Å; R1042-E1770 IonicContact NH1-OE1 2.76Å; R1042-E1770 PolarHBondContact NH1-OE1 2.85Å; R1042-Y1774 WeakPolarHBondContact CG-OH 3.43Å; R1042-Y1774 VanDerWaalsContact CZ-CE2 3.49Å; R1042-Y1774 PolarHBondContact NE-OH 2.91Å
1043S78.5Confident73.4Confident4 Ų444.7 Ų44.73%0.02824%0.236CC..PPolyproline II helixtrans-63.9166.5167.366.90000112.2P958 E1033 S1034P958-S1043 WeakPolarHBondContact O-CA 3.23Å; P958-S1043 WeakPolarHBondContact O-CB 3.35Å; E1033-S1043 VanDerWaalsContact CA-OG 3.24Å; E1033-S1043 WeakPolarHBondContact CA-OG 3.4Å; S1034-S1043 PolarHBondContact N-OG 2.82Å; S1034-S1043 PolarHBondContact O-N 2.75Å
1044L76Confident71.8Confident109 Ų10947.3 Ų47.357%0.57125%0.246SC*.PPolyproline II helixtrans-56.7156.5154.1-75166.2000109.7P960P960-L1044 WeakPolarHBondContact CB-O 3.33Å
1045P77.7Confident70.3Confident40 Ų4049.8 Ų49.826%0.2626%0.262SS..PPolyproline II helixtrans-52.8139.9171.5-27.635.9000111.5Y1031 Y1048Y1031-P1045 HydrophobicContact CD2-CB 3.51Å; Y1031-P1045 HydrophobicContact CD2-CG 4.11Å; Y1031-P1045 HydrophobicContact CE2-CB 3.94Å; Y1031-P1045 HydrophobicContact CE2-CG 4.01Å; Y1031-P1045 HydrophobicContact CG-CB 4.02Å; P1045-Y1048 HydrophobicContact CB-CE2 4.47Å
1046S83.9Confident69Low4 Ų453 Ų533%0.02828%0.281CS..PPolyproline II helixtrans-57.3173162.470.70000111.1V964 V1032 Y1048V964-S1046 VanDerWaalsContact CG2-CB 3.43Å; V964-S1046 WeakPolarHBondContact CG2-OG 3.43Å; V1032-S1046 PolarHBondContact N-OG 3.28Å; V1032-S1046 WeakPolarHBondContact O-CB 3.18Å; V1032-S1046 PolarHBondContact O-N 3.36Å; V1032-S1046 PolarHBondContact O-OG 3.15Å; S1046-Y1048 PolarHBondContact O-N 2.81Å; S1046-Y1048 VanDerWaalsContact O-N 3.17Å
1047N79.5Confident68.2Low94 Ų9456.5 Ų56.550%0.50329%0.294SS..PPolyproline II helixtrans-51.6128.4165.559.2-62.9000109.7I1049N1047-I1049 WeakPolarHBondContact ND2-CG2 3.11Å; N1047-I1049 PolarHBondContact O-N 2.87Å
1048Y80.6Confident68.1Low135 Ų13554.6 Ų54.653%0.52928%0.28SS..PPolyproline II helixtrans-63.7120.3174.1-67.3-88.1000108.3T1029 Y1031 P1045 S1046T1029-Y1048 HydrophobicContact CG2-CD1 3.63Å; T1029-Y1048 HydrophobicContact CG2-CG 4.17Å; Y1031-Y1048 AromaticContact CD1-CD1 3.61Å; Y1031-Y1048 HydrophobicContact CD1-CD1 3.61Å; Y1031-Y1048 AromaticContact CD1-CE1 3.3Å; Y1031-Y1048 HydrophobicContact CD1-CE1 3.3Å; Y1031-Y1048 HydrophobicContact CE1-CD1 4.38Å; Y1031-Y1048 AromaticContact CE1-CE1 3.69Å; Y1031-Y1048 HydrophobicContact CE1-CE1 3.69Å; Y1031-Y1048 HydrophobicContact CG-CD1 4.16Å; Y1031-Y1048 AromaticContact CG-CE1 3.93Å; Y1031-Y1048 HydrophobicContact CG-CE1 3.93Å; P1045-Y1048 HydrophobicContact CB-CE2 4.47Å; S1046-Y1048 PolarHBondContact O-N 2.81Å; S1046-Y1048 VanDerWaalsContact O-N 3.17Å
1049I78.7Confident68.5Low21 Ų2156.2 Ų56.211%0.10828%0.284CS..EExtended strand (participates in β ladder)trans-105.1129.3176.355.6173.2000109.7V964 F966 V976 T1029 V1030 N1047V964-I1049 HydrophobicContact CB-CD1 4.16Å; V964-I1049 HydrophobicContact CG1-CD1 3.51Å; V964-I1049 HydrophobicContact CG1-CG1 4.29Å; V964-I1049 WeakPolarHBondContact O-CG2 3.33Å; F966-I1049 HydrophobicContact CD2-CD1 3.65Å; F966-I1049 HydrophobicContact CD2-CG1 4.27Å; F966-I1049 HydrophobicContact CE1-CD1 4.16Å; F966-I1049 HydrophobicContact CE2-CB 3.75Å; F966-I1049 HydrophobicContact CE2-CD1 3.21Å; F966-I1049 HydrophobicContact CE2-CG1 3.37Å; F966-I1049 HydrophobicContact CG-CD1 4.31Å; F966-I1049 HydrophobicContact CZ-CB 4.38Å; F966-I1049 HydrophobicContact CZ-CD1 3.52Å; F966-I1049 HydrophobicContact CZ-CG1 3.58Å; V976-I1049 HydrophobicContact CG1-CD1 4.47Å; T1029-I1049 CarbonylContact C-O 3.57Å; T1029-I1049 WeakPolarHBondContact CA-O 3.42Å; V1030-I1049 HydrophobicContact CB-CD1 4.46Å; V1030-I1049 HydrophobicContact CB-CG1 3.98Å; V1030-I1049 HydrophobicContact CG1-CG1 4.49Å; V1030-I1049 PolarHBondContact N-O 3.15Å; V1030-I1049 VanDerWaalsContact O-CG1 3.25Å; V1030-I1049 WeakPolarHBondContact O-CG1 3.4Å; V1030-I1049 PolarHBondContact O-N 3.06Å; N1047-I1049 WeakPolarHBondContact ND2-CG2 3.11Å; N1047-I1049 PolarHBondContact O-N 2.87Å
1050T74.9Confident69.1Low84 Ų8454.6 Ų54.652%0.51528%0.28SS..EExtended strand (participates in β ladder)trans-96.8109.2177.6-27.40000108.1T999 N1027 Y1028T999-T1050 HydrophobicContact CG2-CG2 3.99Å; T999-T1050 WeakPolarHBondContact OG1-CG2 3.49Å; N1027-T1050 HydrophobicContact CB-CG2 4.01Å; Y1028-T1050 CarbonylContact O-C 3.53Å; Y1028-T1050 WeakPolarHBondContact O-CA 3.24Å
1051A65.5Low69.6Low7 Ų754 Ų546%0.05827%0.273CS..EExtended strand (participates in β ladder)trans-99.7134.7166.900000110F966 L974 Y1028F966-A1051 HydrophobicContact CD1-CB 3.91Å; F966-A1051 HydrophobicContact CD2-CB 3.47Å; F966-A1051 VanDerWaalsContact CD2-CB 3.47Å; F966-A1051 HydrophobicContact CE1-CB 3.63Å; F966-A1051 HydrophobicContact CE2-CB 3.17Å; F966-A1051 HydrophobicContact CG-CB 3.8Å; F966-A1051 HydrophobicContact CZ-CB 3.24Å; L974-A1051 HydrophobicContact CD1-CB 3.97Å; L974-A1051 HydrophobicContact CD2-CB 3.5Å; L974-A1051 HydrophobicContact CG-CB 4.44Å; Y1028-A1051 PolarHBondContact N-O 2.85Å; Y1028-A1051 PolarHBondContact O-N 2.85Å
1052V66.7Low69.9Low41 Ų4158.1 Ų58.125%0.24829%0.291CS..EExtended strand (participates in β ladder)trans-80.5125160.7-1640000106.8N1027 Y1054N1027-V1052 WeakPolarHBondContact OD1-CG2 3.27Å; V1052-Y1054 HydrophobicContact CB-CD1 4.38Å; V1052-Y1054 HydrophobicContact CB-CE1 4.42Å; V1052-Y1054 VanDerWaalsContact O-CD2 3.22Å; V1052-Y1054 WeakPolarHBondContact O-CD2 3.43Å; V1052-Y1054 PolarHBondContact O-N 2.96Å
1053A58.7Low70Confident0 Ų062.5 Ų62.50%032%0.317CS..  trans-66.190.2159.500000105.9L974 C1023 G1025 V1026 Y1028L974-A1053 HydrophobicContact CD1-CB 4.44Å; C1023-A1053 WeakPolarHBondContact O-CB 3.19Å; G1025-A1053 WeakPolarHBondContact CA-O 3.22Å; G1025-A1053 PolarHBondContact N-O 2.96Å; V1026-A1053 PolarHBondContact O-N 2.8Å; Y1028-A1053 HydrophobicContact CD2-CB 4.12Å; Y1028-A1053 HydrophobicContact CE2-CB 4.14Å
1054Y53.1Low70Confident74 Ų7463 Ų6329%0.2932%0.32SS..  trans-55.8140.1-169.1-72.1-86000110.5T969 S971 V1052 Y1140 I1142T969-Y1054 HydrophobicContact CG2-CD2 3.96Å; T969-Y1054 HydrophobicContact CG2-CE2 4.11Å; T969-Y1054 WeakPolarHBondContact OG1-CD2 3.38Å; S971-Y1054 WeakPolarHBondContact CA-O 3.42Å; V1052-Y1054 HydrophobicContact CB-CD1 4.38Å; V1052-Y1054 HydrophobicContact CB-CE1 4.42Å; V1052-Y1054 VanDerWaalsContact O-CD2 3.22Å; V1052-Y1054 WeakPolarHBondContact O-CD2 3.43Å; V1052-Y1054 PolarHBondContact O-N 2.96Å; Y1054-Y1140 HydrophobicContact CE1-CD1 4.23Å; Y1054-I1142 VanDerWaalsContact CB-CD1 3.49Å; Y1054-I1142 HydrophobicContact CD1-CD1 3.12Å; Y1054-I1142 HydrophobicContact CD2-CD1 3.62Å; Y1054-I1142 HydrophobicContact CE1-CD1 3.59Å; Y1054-I1142 HydrophobicContact CE2-CD1 4.03Å; Y1054-I1142 HydrophobicContact CG-CD1 3.11Å
1055P51.8Low70.3Confident53 Ų5361.4 Ų61.434%0.34431%0.314SS..SBendtrans-52148.9173.724.3-33.9000108.8R1057 F1087P1055-R1057 PolarHBondContact O-N 2.6Å; P1055-F1087 HydrophobicContact CB-CZ 3.89Å; P1055-F1087 HydrophobicContact CG-CE1 3.88Å; P1055-F1087 HydrophobicContact CG-CZ 3.55Å
1056D52.8Low70.4Confident103 Ų10361.3 Ų61.355%0.55131%0.313SS*.SBendtrans-39.8131.1-171.6-82-60.3000111.7S971S971-D1056 VanDerWaalsContact CB-CG 3.43Å; S971-D1056 WeakPolarHBondContact CB-OD1 3.44Å; S971-D1056 PolarHBondContact OG-OD1 2.89Å
1057R58.6Low70.3Confident75 Ų7564.1 Ų64.128%0.28333%0.33SS..  trans-27.9129.8167-86.5-172.9-161.1-104.97.5109.5E968 P1055 I1142 Y1143 N1145E968-R1057 IonicContact OE1-NH2 3.89Å; P1055-R1057 PolarHBondContact O-N 2.6Å; R1057-I1142 HydrophobicContact CG-CG2 4.44Å; R1057-Y1143 WeakPolarHBondContact CD-O 3.42Å; R1057-Y1143 WeakPolarHBondContact CG-O 3.3Å; R1057-Y1143 PolarHBondContact NH1-O 3.44Å; R1057-Y1143 VanDerWaalsContact NH1-O 3.11Å; R1057-N1145 WeakPolarHBondContact CD-OD1 3.32Å
1058P62.4Low70.1Confident19 Ų1963.9 Ų63.912%0.12333%0.329CS..  trans-43.7148-179.7-2730.9000110.9K1060 N1137 S1144P1058-K1060 PolarHBondContact O-N 3.49Å; P1058-K1060 VanDerWaalsContact O-N 3.1Å; P1058-N1137 HydrophobicContact CG-CB 4.4Å; P1058-S1144 WeakPolarHBondContact O-CB 3.42Å
1059I67.8Low69.7Low115 Ų11560.7 Ų60.759%0.5932%0.32SS*.PPolyproline II helixtrans-61.8127.4-178.9-55.8173.3000107.8S1135I1059-S1135 PolarHBondContact O-OG 2.82Å
1060K74.7Confident69.4Low97 Ų9764.1 Ų64.142%0.42233%0.334SS..PPolyproline II helixtrans-59.2141177.372.1-173.3-176.9-178.60108.5P1058 E1062 N1145 T1147P1058-K1060 PolarHBondContact O-N 3.49Å; P1058-K1060 VanDerWaalsContact O-N 3.1Å; K1060-E1062 WeakPolarHBondContact O-CG 3.22Å; K1060-E1062 PolarHBondContact O-N 2.89Å; K1060-N1145 WeakPolarHBondContact CB-O 3.28Å; K1060-T1147 HydrophobicContact CB-CG2 4.16Å; K1060-T1147 HydrophobicContact CG-CG2 4.43Å
1061P76.4Confident69.1Low5 Ų562.4 Ų62.43%0.03233%0.325CS..PPolyproline II helixtrans-50.7128.8177-26.332.7000111.9V1064 W1078 I1081 L1133 T1147P1061-V1064 HydrophobicContact CB-CG2 4.14Å; P1061-V1064 WeakPolarHBondContact O-CG2 3.46Å; P1061-W1078 HydrophobicContact CB-CB 4.05Å; P1061-W1078 HydrophobicContact CB-CG 4.04Å; P1061-I1081 HydrophobicContact CG-CD1 4.26Å; P1061-L1133 HydrophobicContact CG-CB 4.07Å; P1061-T1147 HydrophobicContact CB-CG2 4.04Å; P1061-T1147 HydrophobicContact CG-CG2 4.22Å; P1061-T1147 WeakPolarHBondContact O-CG2 3.42Å
1062E73.1Confident69.6Low117 Ų11766 Ų6655%0.54734%0.343SS..PPolyproline II helixtrans-102.3159.1-177.9-62-172.2162.800111.3K1060 V1064 N1079K1060-E1062 WeakPolarHBondContact O-CG 3.22Å; K1060-E1062 PolarHBondContact O-N 2.89Å; E1062-V1064 VanDerWaalsContact C-N 3.29Å; E1062-V1064 PolarHBondContact O-N 2.93Å; E1062-N1079 WeakPolarHBondContact O-CB 3.42Å; E1062-N1079 PolarHBondContact O-N 2.84Å
1063N79.6Confident70.4Confident116 Ų11665.9 Ų65.962%0.6234%0.34SS*.SBendtrans49.545.1-172.2-74.2-6.2000114.2T1065 N1079N1063-T1065 PolarHBondContact O-N 3.18Å; N1063-N1079 PolarHBondContact ND2-ND2 3.23Å
1064V77.4Confident71.7Confident15 Ų1565.9 Ų65.99%0.09134%0.34CS..  trans-68122.7172.2-175.50000109.2P1061 E1062 I1076 R1077 W1078 L1133 T1147 F1150P1061-V1064 HydrophobicContact CB-CG2 4.14Å; P1061-V1064 WeakPolarHBondContact O-CG2 3.46Å; E1062-V1064 VanDerWaalsContact C-N 3.29Å; E1062-V1064 PolarHBondContact O-N 2.93Å; V1064-I1076 HydrophobicContact CG1-CD1 3.69Å; V1064-I1076 HydrophobicContact CG1-CG1 3.66Å; V1064-R1077 CarbonylContact C-O 3.58Å; V1064-R1077 VanDerWaalsContact CA-O 3.24Å; V1064-R1077 WeakPolarHBondContact CA-O 3.49Å; V1064-W1078 HydrophobicContact CG2-CB 3.96Å; V1064-L1133 HydrophobicContact CG1-CD1 3.65Å; V1064-L1133 HydrophobicContact CG2-CD1 4.23Å; V1064-T1147 HydrophobicContact CG2-CG2 3.86Å; V1064-F1150 HydrophobicContact CB-CD2 4.46Å; V1064-F1150 HydrophobicContact CB-CE1 4.4Å; V1064-F1150 HydrophobicContact CB-CE2 3.49Å; V1064-F1150 VanDerWaalsContact CB-CE2 3.49Å; V1064-F1150 HydrophobicContact CB-CZ 3.48Å; V1064-F1150 VanDerWaalsContact CB-CZ 3.48Å; V1064-F1150 HydrophobicContact CG1-CD2 3.93Å; V1064-F1150 HydrophobicContact CG1-CE2 3.42Å; V1064-F1150 VanDerWaalsContact CG1-CE2 3.42Å; V1064-F1150 HydrophobicContact CG1-CZ 3.83Å; V1064-F1150 HydrophobicContact CG2-CE2 4.15Å; V1064-F1150 HydrophobicContact CG2-CZ 4.36Å
1065T82.3Confident73.2Confident74 Ų7463 Ų6345%0.45433%0.33SS..EExtended strand (participates in β ladder)trans-125.9145.6178.252.80000109.8N1063 I1076 R1077N1063-T1065 PolarHBondContact O-N 3.18Å; T1065-I1076 WeakPolarHBondContact O-CA 3.38Å; T1065-R1077 PolarHBondContact N-O 3.29Å; T1065-R1077 PolarHBondContact O-N 2.93Å
1066V80.9Confident74.8Confident38 Ų3860.5 Ų60.523%0.2331%0.314CS..EExtended strand (participates in β ladder)trans-112.4130.7177.7178.40000108I1069 F1074 T1075 I1076 F1150 I1152V1066-I1069 HydrophobicContact CG1-CD1 3.95Å; V1066-I1069 HydrophobicContact CG1-CG1 3.87Å; V1066-F1074 HydrophobicContact CG1-CB 4.2Å; V1066-F1074 HydrophobicContact CG1-CD2 4.2Å; V1066-F1074 HydrophobicContact CG1-CG 4.43Å; V1066-T1075 CarbonylContact C-O 3.58Å; V1066-T1075 WeakPolarHBondContact CA-O 3.5Å; V1066-I1076 HydrophobicContact CG2-CD1 4.15Å; V1066-I1076 HydrophobicContact CG2-CG1 4.2Å; V1066-F1150 HydrophobicContact CG2-CB 4.34Å; V1066-I1152 HydrophobicContact CB-CD1 4.15Å; V1066-I1152 HydrophobicContact CB-CG1 4.35Å; V1066-I1152 HydrophobicContact CG1-CD1 3.56Å; V1066-I1152 HydrophobicContact CG1-CG1 3.87Å; V1066-I1152 HydrophobicContact CG1-CG2 3.9Å; V1066-I1152 HydrophobicContact CG2-CD1 3.5Å; V1066-I1152 VanDerWaalsContact CG2-CD1 3.5Å; V1066-I1152 HydrophobicContact CG2-CG1 3.86Å
1067T80.4Confident76.3Confident63 Ų6361.5 Ų61.539%0.38731%0.309SS..EExtended strand (participates in β ladder)trans-135.4169.2-178.959.70000110.5I1069 T1075T1067-I1069 PolarHBondContact O-N 3.35Å; T1067-T1075 PolarHBondContact N-O 3.14Å; T1067-T1075 PolarHBondContact O-N 3.49Å; T1067-T1075 VanDerWaalsContact O-O 3.11Å
1068N74.8Confident77.6Confident89 Ų8958.5 Ų58.548%0.47630%0.298SS..EExtended strand (participates in β ladder)trans58.540.1172.7-151.313.1000114.6K1070N1068-K1070 PolarHBondContact O-N 3.21Å
1069I72.8Confident78.3Confident68 Ų6861.2 Ų61.235%0.34931%0.312SS..EExtended strand (participates in β ladder)trans-73.3121.1-179.9-54171.7000109.4V1066 T1067 F1074 I1152 Y1153 T1155V1066-I1069 HydrophobicContact CG1-CD1 3.95Å; V1066-I1069 HydrophobicContact CG1-CG1 3.87Å; T1067-I1069 PolarHBondContact O-N 3.35Å; I1069-F1074 HydrophobicContact CG1-CB 4.16Å; I1069-I1152 HydrophobicContact CD1-CG2 3.92Å; I1069-I1152 HydrophobicContact CG1-CG2 4.01Å; I1069-I1152 HydrophobicContact CG2-CG2 4.2Å; I1069-Y1153 WeakPolarHBondContact CG2-O 3.34Å; I1069-T1155 HydrophobicContact CG2-CG2 4.3Å
1070K71.7Confident78.5Confident93 Ų9362.7 Ų62.740%0.40432%0.316SS..EExtended strand (participates in β ladder)trans-126.3175.3176.9-60.5-170.5-175.5176.60109.4N1068 N1072 Q1073 T1155N1068-K1070 PolarHBondContact O-N 3.21Å; K1070-N1072 PolarHBondContact O-N 2.98Å; K1070-N1072 VanDerWaalsContact O-N 3.1Å; K1070-Q1073 HydrophobicContact CB-CG 3.75Å; K1070-Q1073 HydrophobicContact CD-CG 3.87Å; K1070-Q1073 HydrophobicContact CG-CG 4Å; K1070-Q1073 PolarHBondContact N-O 3.47Å; K1070-T1155 VanDerWaalsContact C-OG1 3.27Å
1071P69.3Low78.2Confident49 Ų4960.1 Ų60.132%0.31831%0.307SS..THydrogen-bonded Turntrans-58.9-25.9178.1-24.334.4000113.6L1124 P1125 T1154 T1155P1071-L1124 CarbonylContact O-C 3.59Å; P1071-P1125 HydrophobicContact CB-CB 3.73Å; P1071-P1125 WeakPolarHBondContact O-CA 3.48Å; P1071-P1125 VanDerWaalsContact O-CB 3.29Å; P1071-P1125 WeakPolarHBondContact O-CB 3.49Å; P1071-T1154 WeakPolarHBondContact O-CB 3.36Å; P1071-T1155 WeakPolarHBondContact CA-O 3.42Å; P1071-T1155 WeakPolarHBondContact CB-O 3.33Å; P1071-T1155 WeakPolarHBondContact CD-OG1 3.42Å; P1071-T1155 WeakPolarHBondContact CG-OG1 3.25Å; P1071-T1155 VanDerWaalsContact N-OG1 3.13Å
1072N77.3Confident77.4Confident83 Ų8369.5 Ų69.544%0.44435%0.347SS..THydrogen-bonded Turntrans-129.912.5-175.368.2-15.1000115.5K1070 T1121 S1122 L1123K1070-N1072 PolarHBondContact O-N 2.98Å; K1070-N1072 VanDerWaalsContact O-N 3.1Å; N1072-T1121 CarbonylContact O-C 3.6Å; N1072-S1122 PolarHBondContact O-N 2.85Å; N1072-L1123 VanDerWaalsContact CA-O 3.28Å; N1072-L1123 WeakPolarHBondContact CA-O 3.29Å; N1072-L1123 WeakPolarHBondContact CB-O 3.42Å; N1072-L1123 PolarHBondContact O-N 3.38Å
1073Q81.5Confident76.5Confident38 Ų3871.4 Ų71.418%0.17835%0.353CS..EExtended strand (participates in β ladder)trans-159.8158.6178.560.5169.753.500113.3K1070 V1120 T1121K1070-Q1073 HydrophobicContact CB-CG 3.75Å; K1070-Q1073 HydrophobicContact CD-CG 3.87Å; K1070-Q1073 HydrophobicContact CG-CG 4Å; K1070-Q1073 PolarHBondContact N-O 3.47Å; Q1073-V1120 CarbonylContact C-O 3.59Å; Q1073-V1120 WeakPolarHBondContact CA-O 3.3Å; Q1073-V1120 WeakPolarHBondContact CB-O 3.29Å; Q1073-T1121 HydrophobicContact CB-CG2 4.19Å
1074F86Confident75.1Confident0 Ų071.8 Ų71.80%036%0.355CS..EExtended strand (participates in β ladder)trans-149.1159.3165.365.5-100.7000111.1V1066 I1069 V1096 V1120 L1123 Y1129 V1131 I1152V1066-F1074 HydrophobicContact CG1-CB 4.2Å; V1066-F1074 HydrophobicContact CG1-CD2 4.2Å; V1066-F1074 HydrophobicContact CG1-CG 4.43Å; I1069-F1074 HydrophobicContact CG1-CB 4.16Å; F1074-V1096 HydrophobicContact CE1-CG1 4Å; F1074-V1096 HydrophobicContact CZ-CG1 3.81Å; F1074-V1096 HydrophobicContact CZ-CG2 3.91Å; F1074-V1120 HydrophobicContact CD2-CG2 4.42Å; F1074-V1120 HydrophobicContact CE1-CB 4.24Å; F1074-V1120 HydrophobicContact CE1-CG1 4.5Å; F1074-V1120 HydrophobicContact CE2-CB 4.03Å; F1074-V1120 HydrophobicContact CE2-CG2 3.66Å; F1074-V1120 HydrophobicContact CZ-CB 3.84Å; F1074-V1120 HydrophobicContact CZ-CG1 4.27Å; F1074-V1120 HydrophobicContact CZ-CG2 3.72Å; F1074-V1120 PolarHBondContact N-O 2.98Å; F1074-V1120 PolarHBondContact O-N 3.06Å; F1074-L1123 HydrophobicContact CD1-CD1 3.19Å; F1074-L1123 HydrophobicContact CE1-CD1 3.28Å; F1074-L1123 HydrophobicContact CG-CD1 4.29Å; F1074-L1123 HydrophobicContact CZ-CD1 4.41Å; F1074-Y1129 HydrophobicContact CE1-CG 4.5Å; F1074-V1131 HydrophobicContact CE1-CG2 4.07Å; F1074-V1131 HydrophobicContact CE2-CG1 4.32Å; F1074-V1131 HydrophobicContact CE2-CG2 4.19Å; F1074-V1131 HydrophobicContact CZ-CG1 4.3Å; F1074-V1131 HydrophobicContact CZ-CG2 3.53Å; F1074-I1152 HydrophobicContact CB-CG2 3.96Å; F1074-I1152 HydrophobicContact CD1-CB 4.35Å; F1074-I1152 HydrophobicContact CD1-CD1 4.01Å; F1074-I1152 HydrophobicContact CD1-CG2 3.78Å; F1074-I1152 HydrophobicContact CD2-CD1 3.48Å; F1074-I1152 VanDerWaalsContact CD2-CD1 3.48Å; F1074-I1152 HydrophobicContact CE1-CD1 3.97Å; F1074-I1152 HydrophobicContact CE2-CD1 3.45Å; F1074-I1152 VanDerWaalsContact CE2-CD1 3.45Å; F1074-I1152 HydrophobicContact CG-CD1 3.81Å; F1074-I1152 HydrophobicContact CG-CG2 3.85Å; F1074-I1152 HydrophobicContact CZ-CD1 3.74Å
1075T84.9Confident73.8Confident14 Ų1479.6 Ų79.69%0.08640%0.395CS..EExtended strand (participates in β ladder)trans-113.3138.7175.4-59.60000110.3V1066 T1067 R1077 T1119V1066-T1075 CarbonylContact C-O 3.58Å; V1066-T1075 WeakPolarHBondContact CA-O 3.5Å; T1067-T1075 PolarHBondContact N-O 3.14Å; T1067-T1075 PolarHBondContact O-N 3.49Å; T1067-T1075 VanDerWaalsContact O-O 3.11Å; T1075-R1077 HydrophobicContact CG2-CG 4.47Å; T1075-T1119 WeakPolarHBondContact CG2-OG1 3.38Å; T1075-T1119 WeakPolarHBondContact OG1-CG2 3.33Å; T1075-T1119 PolarHBondContact OG1-OG1 2.57Å
1076I86.5Confident72.3Confident0 Ų080.9 Ų80.90%040%0.404CS..EExtended strand (participates in β ladder)trans-121.4134.4178.7-165.3159000110.8V1064 T1065 V1066 W1078 L1094 E1117 F1118 V1131 L1133V1064-I1076 HydrophobicContact CG1-CD1 3.69Å; V1064-I1076 HydrophobicContact CG1-CG1 3.66Å; T1065-I1076 WeakPolarHBondContact O-CA 3.38Å; V1066-I1076 HydrophobicContact CG2-CD1 4.15Å; V1066-I1076 HydrophobicContact CG2-CG1 4.2Å; I1076-W1078 HydrophobicContact CG2-CZ3 4.05Å; I1076-L1094 HydrophobicContact CD1-CD1 3.91Å; I1076-L1094 HydrophobicContact CG2-CD1 3.91Å; I1076-L1094 HydrophobicContact CG2-CD2 3.78Å; I1076-L1094 HydrophobicContact CG2-CG 4.5Å; I1076-E1117 CarbonylContact O-C 3.6Å; I1076-E1117 VanDerWaalsContact O-CA 3.29Å; I1076-E1117 WeakPolarHBondContact O-CA 3.34Å; I1076-F1118 HydrophobicContact CG2-CB 4.25Å; I1076-F1118 WeakPolarHBondContact CG2-O 3.16Å; I1076-F1118 PolarHBondContact N-O 3.23Å; I1076-F1118 PolarHBondContact O-N 3.21Å; I1076-V1131 HydrophobicContact CD1-CG1 3.76Å; I1076-L1133 HydrophobicContact CD1-CD1 3.44Å; I1076-L1133 VanDerWaalsContact CD1-CD1 3.44Å; I1076-L1133 HydrophobicContact CG1-CD1 4.03Å
1077R84.1Confident70.8Confident123 Ų12381.4 Ų81.446%0.46440%0.403SS..EExtended strand (participates in β ladder)trans-129.6147.7-178.6-53.2-173.985.6-167.46.6110.3V1064 T1065 T1075 S1116 E1117V1064-R1077 CarbonylContact C-O 3.58Å; V1064-R1077 VanDerWaalsContact CA-O 3.24Å; V1064-R1077 WeakPolarHBondContact CA-O 3.49Å; T1065-R1077 PolarHBondContact N-O 3.29Å; T1065-R1077 PolarHBondContact O-N 2.93Å; T1075-R1077 HydrophobicContact CG2-CG 4.47Å; R1077-S1116 CarbonylContact C-O 3.59Å; R1077-S1116 WeakPolarHBondContact CA-O 3.42Å; R1077-E1117 HydrophobicContact CB-CB 4.3Å; R1077-E1117 HydrophobicContact CG-CB 3.82Å; R1077-E1117 IonicContact CZ-OE2 3.79Å; R1077-E1117 IonicContact NE-OE2 3.33Å; R1077-E1117 PolarHBondContact NE-OE2 2.96Å; R1077-E1117 IonicContact NH2-OE2 3.9Å; R1077-E1117 PolarHBondContact NH2-OE2 2.99Å
1078W84.6Confident69.7Low12 Ų1283.3 Ų83.35%0.04542%0.415CS..  trans-144.5166.1178.259.395.2000111.4P1061 V1064 I1076 C1092 I1111 K1115 S1116 F1118 L1133P1061-W1078 HydrophobicContact CB-CB 4.05Å; P1061-W1078 HydrophobicContact CB-CG 4.04Å; V1064-W1078 HydrophobicContact CG2-CB 3.96Å; I1076-W1078 HydrophobicContact CG2-CZ3 4.05Å; W1078-C1092 HydrophobicContact CZ2-CB 3.88Å; W1078-C1092 PolarHBondContact NE1-SG 3.3Å; W1078-I1111 HydrophobicContact CH2-CB 4.22Å; W1078-I1111 HydrophobicContact CH2-CD1 3.89Å; W1078-I1111 HydrophobicContact CH2-CG1 4.13Å; W1078-I1111 HydrophobicContact CH2-CG2 4Å; W1078-I1111 HydrophobicContact CZ2-CB 4.24Å; W1078-I1111 HydrophobicContact CZ2-CD1 4.5Å; W1078-I1111 HydrophobicContact CZ2-CG2 3.93Å; W1078-K1115 VanDerWaalsContact CZ2-O 3.31Å; W1078-K1115 WeakPolarHBondContact CZ2-O 3.37Å; W1078-S1116 PolarHBondContact N-O 3.44Å; W1078-S1116 VanDerWaalsContact O-CB 3.24Å; W1078-S1116 WeakPolarHBondContact O-CB 3.44Å; W1078-F1118 HydrophobicContact CH2-CB 4.14Å; W1078-F1118 HydrophobicContact CZ3-CB 4.17Å; W1078-L1133 HydrophobicContact CD2-CD2 3.67Å; W1078-L1133 HydrophobicContact CE3-CD2 3.47Å; W1078-L1133 VanDerWaalsContact CE3-CD2 3.47Å; W1078-L1133 HydrophobicContact CG-CD2 4.39Å; W1078-L1133 HydrophobicContact CH2-CD2 3.96Å; W1078-L1133 HydrophobicContact CZ2-CD2 4.11Å; W1078-L1133 HydrophobicContact CZ3-CD2 3.65Å
1079N79.1Confident69.2Low76 Ų7683.3 Ų83.341%0.40641%0.414SS..  trans-72.3143.4173.3-72.4-8.3000111E1062 N1063 I1081E1062-N1079 WeakPolarHBondContact O-CB 3.42Å; E1062-N1079 PolarHBondContact O-N 2.84Å; N1063-N1079 PolarHBondContact ND2-ND2 3.23Å; N1079-I1081 PolarHBondContact O-N 2.96Å
1080E70.4Confident69.1Low147 Ų14782 Ų8269%0.68741%0.408SS*.  trans-60.4133.5173.2-166179.6177.900111.3K1082E1080-K1082 PolarHBondContact O-N 3.19Å
1081I68.4Low69.4Low43 Ų4378.1 Ų78.122%0.22139%0.392CS..  trans-80.4115.1-175-55.2174.5000109.5P1061 N1079 K1083 I1090 S1135P1061-I1081 HydrophobicContact CG-CD1 4.26Å; N1079-I1081 PolarHBondContact O-N 2.96Å; I1081-K1083 PolarHBondContact O-N 3.38Å; I1081-I1090 HydrophobicContact CD1-CG2 4.09Å; I1081-S1135 VanDerWaalsContact CD1-CB 3.49Å
1082K60.3Low70.1Confident202 Ų20276 Ų7688%0.87838%0.379SS*.  trans-63.9127.8177.9-69-175.1178.6-179.60111.1E1080 D1084E1080-K1082 PolarHBondContact O-N 3.19Å; K1082-D1084 PolarHBondContact O-N 3.47Å
1083K54.4Low70.5Confident157 Ų15772 Ų7268%0.68336%0.357SS*.  trans-81.7106.3178.2-64.1-177.1-176.8-173.90110.1I1081I1081-K1083 PolarHBondContact O-N 3.38Å
1084D50Low70.8Confident124 Ų12470.2 Ų70.266%0.66335%0.349SS*.  trans-80.5148.9166.6-114.6-29.5000110.6K1082 T1086 F1087K1082-D1084 PolarHBondContact O-N 3.47Å; D1084-T1086 PolarHBondContact O-N 2.7Å; D1084-F1087 PolarHBondContact O-N 2.88Å
1085L49.2Very low70.7Confident178 Ų17871.6 Ų71.693%0.93235%0.354SS*.THydrogen-bonded Turntrans-53.2-2.5-164.1-81.3150.6000117.2
1086T51.8Low70.7Confident102 Ų10271.1 Ų71.163%0.62635%0.351SS*.THydrogen-bonded Turntrans-109.1-5.9179.3530000115.1D1084D1084-T1086 PolarHBondContact O-N 2.7Å
1087F50.2Low70.5Confident49 Ų4973.2 Ų73.222%0.21536%0.359CS..  trans-135.889.7-173.5-55.7-69.4000113.9P1055 D1084 I1090 N1137P1055-F1087 HydrophobicContact CB-CZ 3.89Å; P1055-F1087 HydrophobicContact CG-CE1 3.88Å; P1055-F1087 HydrophobicContact CG-CZ 3.55Å; D1084-F1087 PolarHBondContact O-N 2.88Å; F1087-I1090 HydrophobicContact CB-CD1 3.95Å; F1087-I1090 HydrophobicContact CB-CG1 4.27Å; F1087-N1137 VanDerWaalsContact CD1-ND2 3.26Å; F1087-N1137 WeakPolarHBondContact CD1-ND2 3.36Å
1088T55.4Low70.2Confident103 Ų10368.7 Ų68.763%0.63235%0.346SS*.SBendtrans-82.5-12.3-17346.10000116.1
1089N64.8Low69.6Low88 Ų8869.8 Ų69.847%0.47135%0.354SS..  trans-135.486.4-177.9-59.3-33.3000113.5N1137 T1138N1089-N1137 CarbonylContact O-C 3.55Å; N1089-N1137 WeakPolarHBondContact O-CA 3.05Å; N1089-T1138 WeakPolarHBondContact CB-OG1 3.29Å; N1089-T1138 PolarHBondContact O-N 2.91Å; N1089-T1138 PolarHBondContact O-OG1 2.87Å
1090I70.3Confident69Low40 Ų4070.3 Ų70.321%0.20536%0.356CS..EExtended strand (participates in β ladder)trans-110.4128.8175.7-57.7174.5000109.7I1081 F1087 F1136I1081-I1090 HydrophobicContact CD1-CG2 4.09Å; F1087-I1090 HydrophobicContact CB-CD1 3.95Å; F1087-I1090 HydrophobicContact CB-CG1 4.27Å; I1090-F1136 CarbonylContact C-O 3.51Å; I1090-F1136 VanDerWaalsContact CA-O 3.31Å; I1090-F1136 WeakPolarHBondContact CA-O 3.08Å
1091C79.9Confident68.2Low12 Ų1267.7 Ų67.78%0.08135%0.347CS..EExtended strand (participates in β ladder)trans-114.8164.1172.1-680000111C1112 S1135 F1136 T1138C1091-C1112 HydrophobicContact CB-CB 4.09Å; C1091-C1112 WeakPolarHBondContact CB-SG 3.1Å; C1091-C1112 WeakPolarHBondContact SG-CA 3.47Å; C1091-C1112 WeakPolarHBondContact SG-CB 3.36Å; C1091-C1112 CovalentContact SG-SG 2.05Å; C1091-C1112 PolarHBondContact SG-SG 2.82Å; C1091-S1135 CarbonylContact O-C 3.57Å; C1091-S1135 VanDerWaalsContact O-CA 3.25Å; C1091-S1135 WeakPolarHBondContact O-CA 3.17Å; C1091-F1136 HydrophobicContact CB-CD1 4.01Å; C1091-F1136 HydrophobicContact CB-CE1 3.4Å; C1091-F1136 HydrophobicContact CB-CE2 4.09Å; C1091-F1136 HydrophobicContact CB-CZ 3.45Å; C1091-F1136 VanDerWaalsContact CB-CZ 3.45Å; C1091-F1136 PolarHBondContact N-O 3.06Å; C1091-F1136 WeakPolarHBondContact O-CD1 3.3Å; C1091-F1136 PolarHBondContact O-N 3.27Å; C1091-T1138 HydrophobicContact CB-CG2 4.22Å; C1091-T1138 WeakPolarHBondContact SG-CG2 3.28Å
1092C83.4Confident67.9Low5 Ų571.5 Ų71.53%0.03437%0.366CS..EExtended strand (participates in β ladder)trans-105.1147.3170.7-76.40000110.9W1078 N1110 I1111 L1133 K1134W1078-C1092 HydrophobicContact CZ2-CB 3.88Å; W1078-C1092 PolarHBondContact NE1-SG 3.3Å; C1092-N1110 CarbonylContact O-C 3.53Å; C1092-I1111 HydrophobicContact CB-CB 4.41Å; C1092-I1111 PolarHBondContact N-O 3.27Å; C1092-I1111 WeakPolarHBondContact O-CA 2.74Å; C1092-I1111 PolarHBondContact O-N 3.05Å; C1092-L1133 HydrophobicContact CB-CD2 4.33Å; C1092-K1134 CarbonylContact C-O 3.57Å; C1092-K1134 WeakPolarHBondContact CA-O 3.48Å
1093S86.1Confident67.6Low0 Ų069.5 Ų69.50%037%0.365CS..EExtended strand (participates in β ladder)trans-127.5117.2174.7-162.90000108.6Q1108 F1109 N1110 L1133 K1134S1093-Q1108 VanDerWaalsContact OG-CG 3.26Å; S1093-Q1108 WeakPolarHBondContact OG-CG 3.39Å; S1093-Q1108 PolarHBondContact OG-NE2 2.77Å; S1093-F1109 WeakPolarHBondContact CA-O 3.47Å; S1093-N1110 VanDerWaalsContact CB-OD1 3.31Å; S1093-N1110 WeakPolarHBondContact CB-OD1 3.48Å; S1093-N1110 PolarHBondContact OG-OD1 3.33Å; S1093-L1133 CarbonylContact O-C 3.44Å; S1093-L1133 WeakPolarHBondContact O-CA 3.47Å; S1093-K1134 PolarHBondContact N-O 2.77Å; S1093-K1134 PolarHBondContact O-N 2.81Å
1094L86.8Confident67.7Low0 Ų065.8 Ų65.80%035%0.353CS..EExtended strand (participates in β ladder)trans-95128.4-179.3175.370.5000109.5I1076 V1096 Q1108 F1109 I1111 F1118 V1120 V1131 L1133I1076-L1094 HydrophobicContact CD1-CD1 3.91Å; I1076-L1094 HydrophobicContact CG2-CD1 3.91Å; I1076-L1094 HydrophobicContact CG2-CD2 3.78Å; I1076-L1094 HydrophobicContact CG2-CG 4.5Å; L1094-V1096 HydrophobicContact CD1-CG2 4.44Å; L1094-V1096 HydrophobicContact CD2-CG2 4.12Å; L1094-V1096 HydrophobicContact CG-CG2 3.95Å; L1094-Q1108 CarbonylContact O-C 3.58Å; L1094-Q1108 WeakPolarHBondContact O-CA 3.43Å; L1094-F1109 HydrophobicContact CB-CB 4.3Å; L1094-F1109 HydrophobicContact CD2-CD2 4.37Å; L1094-F1109 PolarHBondContact N-O 2.7Å; L1094-F1109 PolarHBondContact O-N 2.74Å; L1094-I1111 HydrophobicContact CB-CD1 3.64Å; L1094-F1118 HydrophobicContact CD2-CB 4.45Å; L1094-F1118 HydrophobicContact CD2-CD1 3.43Å; L1094-F1118 VanDerWaalsContact CD2-CD1 3.43Å; L1094-F1118 HydrophobicContact CD2-CE1 4.06Å; L1094-F1118 HydrophobicContact CD2-CG 4.28Å; L1094-V1120 HydrophobicContact CD2-CG2 3.68Å; L1094-V1131 HydrophobicContact CD1-CG1 3.44Å; L1094-V1131 VanDerWaalsContact CD1-CG1 3.44Å; L1094-V1131 HydrophobicContact CG-CG1 4.45Å; L1094-L1133 HydrophobicContact CD1-CD1 3.89Å; L1094-L1133 HydrophobicContact CD1-CD2 4.48Å; L1094-L1133 HydrophobicContact CD1-CG 3.81Å
1095Y84.8Confident68.2Low29 Ų2967.1 Ų67.111%0.11436%0.36CS..EExtended strand (participates in β ladder)trans-115.2125.4178.9-66.2-93.2000109.6F1106 N1107 Q1108 V1131 Y1132 K1134Y1095-F1106 HydrophobicContact CD1-CB 3.89Å; Y1095-F1106 HydrophobicContact CD1-CG 4.46Å; Y1095-N1107 WeakPolarHBondContact CA-O 3.45Å; Y1095-Q1108 HydrophobicContact CD1-CB 4.12Å; Y1095-Q1108 HydrophobicContact CD1-CG 4.14Å; Y1095-Q1108 HydrophobicContact CE1-CB 3.94Å; Y1095-Q1108 HydrophobicContact CE1-CG 3.62Å; Y1095-Q1108 PolarHBondContact OH-NE2 2.8Å; Y1095-V1131 VanDerWaalsContact O-CA 3.3Å; Y1095-V1131 WeakPolarHBondContact O-CA 3.35Å; Y1095-Y1132 AromaticContact CD2-CD2 3.93Å; Y1095-Y1132 HydrophobicContact CD2-CD2 3.93Å; Y1095-Y1132 AromaticContact CD2-CE2 3.29Å; Y1095-Y1132 HydrophobicContact CD2-CE2 3.29Å; Y1095-Y1132 AromaticContact CD2-CZ 3.84Å; Y1095-Y1132 AromaticContact CE2-CE2 3.97Å; Y1095-Y1132 HydrophobicContact CE2-CE2 3.97Å; Y1095-Y1132 HydrophobicContact CG-CD2 4.39Å; Y1095-Y1132 HydrophobicContact CG-CE1 4.41Å; Y1095-Y1132 AromaticContact CG-CE2 3.63Å; Y1095-Y1132 HydrophobicContact CG-CE2 3.63Å; Y1095-Y1132 AromaticContact CG-CZ 3.66Å; Y1095-Y1132 PolarHBondContact N-O 2.8Å; Y1095-Y1132 PolarHBondContact O-N 2.99Å; Y1095-Y1132 VanDerWaalsContact O-N 3.17Å; Y1095-K1134 HydrophobicContact CE2-CB 4.38Å; Y1095-K1134 HydrophobicContact CE2-CD 3.97Å; Y1095-K1134 HydrophobicContact CE2-CG 4.37Å
1096V84.6Confident69.4Low3 Ų361 Ų612%0.01833%0.326CS..EExtended strand (participates in β ladder)trans-130.1128.6-177.3-175.80000110.5F1074 L1094 N1107 F1109 V1120 L1123 Y1129 V1131F1074-V1096 HydrophobicContact CE1-CG1 4Å; F1074-V1096 HydrophobicContact CZ-CG1 3.81Å; F1074-V1096 HydrophobicContact CZ-CG2 3.91Å; L1094-V1096 HydrophobicContact CD1-CG2 4.44Å; L1094-V1096 HydrophobicContact CD2-CG2 4.12Å; L1094-V1096 HydrophobicContact CG-CG2 3.95Å; V1096-N1107 PolarHBondContact N-O 2.7Å; V1096-N1107 PolarHBondContact O-N 3.3Å; V1096-F1109 HydrophobicContact CG2-CD2 4.47Å; V1096-F1109 HydrophobicContact CG2-CE2 4.29Å; V1096-V1120 HydrophobicContact CG1-CG1 4.32Å; V1096-V1120 HydrophobicContact CG2-CG1 4.32Å; V1096-V1120 HydrophobicContact CG2-CG2 4.03Å; V1096-L1123 HydrophobicContact CG1-CD2 4.3Å; V1096-Y1129 HydrophobicContact CG1-CD1 3.61Å; V1096-Y1129 HydrophobicContact CG1-CE1 4.28Å; V1096-Y1129 HydrophobicContact CG1-CG 4.37Å; V1096-V1131 HydrophobicContact CB-CG2 4.4Å; V1096-V1131 HydrophobicContact CG1-CG2 4.02Å; V1096-V1131 HydrophobicContact CG2-CG1 4.09Å; V1096-V1131 HydrophobicContact CG2-CG2 4.18Å
1097R82.7Confident70.6Confident45 Ų4561.3 Ų61.317%0.1732%0.324CS..EExtended strand (participates in β ladder)trans-151158.5169.677.5172.9-178.7-177.32.1113.2I1102 F1106 Y1129 T1130R1097-I1102 PolarHBondContact NH1-O 2.92Å; R1097-F1106 HydrophobicContact CB-CD1 3.77Å; R1097-F1106 HydrophobicContact CB-CE1 4.06Å; R1097-F1106 HydrophobicContact CB-CG 4.12Å; R1097-F1106 VanDerWaalsContact CD-CE2 3.43Å; R1097-F1106 VanDerWaalsContact CD-CZ 3.41Å; R1097-F1106 HydrophobicContact CG-CD1 3.66Å; R1097-F1106 HydrophobicContact CG-CD2 4.35Å; R1097-F1106 HydrophobicContact CG-CE1 3.41Å; R1097-F1106 VanDerWaalsContact CG-CE1 3.41Å; R1097-F1106 HydrophobicContact CG-CE2 4.12Å; R1097-F1106 HydrophobicContact CG-CG 4.15Å; R1097-F1106 HydrophobicContact CG-CZ 3.65Å; R1097-F1106 VanDerWaalsContact CZ-CE2 3.46Å; R1097-F1106 VanDerWaalsContact NE-CE2 3.35Å; R1097-Y1129 CarbonylContact O-C 3.58Å; R1097-Y1129 VanDerWaalsContact O-CA 3.28Å; R1097-Y1129 WeakPolarHBondContact O-CA 3.14Å; R1097-Y1129 VanDerWaalsContact O-CD1 3.3Å; R1097-Y1129 WeakPolarHBondContact O-CD1 3.34Å; R1097-T1130 PolarHBondContact N-O 2.88Å; R1097-T1130 PolarHBondContact O-N 3.14Å
1098P77.7Confident72.2Confident28 Ų2863.2 Ų63.218%0.18233%0.333CS..EExtended strand (participates in β ladder)trans-60.1137.3164.5-19.733.2000111.5T1127 N1128 Y1129P1098-T1127 HydrophobicContact CB-CG2 3.72Å; P1098-T1127 HydrophobicContact CG-CG2 4.4Å; P1098-N1128 CarbonylContact C-O 3.59Å; P1098-Y1129 HydrophobicContact CB-CE1 4.49Å; P1098-Y1129 HydrophobicContact CG-CE1 3.82Å
1099T71.9Confident73.5Confident35 Ų3561.7 Ų61.722%0.21532%0.318CS..SBendtrans-74.7-30.7-171.2-56.10000112.4N1128 T1130 L1151T1099-N1128 WeakPolarHBondContact CB-O 3.28Å; T1099-N1128 PolarHBondContact N-O 2.89Å; T1099-N1128 VanDerWaalsContact OG1-C 3.24Å; T1099-N1128 PolarHBondContact OG1-O 3.04Å; T1099-T1130 WeakPolarHBondContact CG2-OG1 2.86Å; T1099-T1130 PolarHBondContact OG1-N 3.43Å; T1099-T1130 VanDerWaalsContact OG1-N 3.16Å; T1099-T1130 PolarHBondContact OG1-OG1 2.88Å; T1099-L1151 HydrophobicContact CG2-CD1 4.06Å
1100L65.1Low74.3Confident87 Ų8761.8 Ų61.846%0.45532%0.319SS..SBendtrans-73.2-30.7-180-76.8169.4000115I1102 D1186L1100-I1102 PolarHBondContact O-N 2.82Å; L1100-D1186 HydrophobicContact CD1-CB 3.69Å; L1100-D1186 WeakPolarHBondContact CD1-OD1 3.39Å; L1100-D1186 WeakPolarHBondContact CD1-OD2 3.25Å; L1100-D1186 HydrophobicContact CG-CB 4.23Å; L1100-D1186 VanDerWaalsContact CG-CG 3.41Å; L1100-D1186 WeakPolarHBondContact CG-OD1 3.44Å
1101N55.5Low74.9Confident91 Ų9160.4 Ų60.449%0.48731%0.312SS..  trans-95.584.7-179.6-90.1-8.1000110.8N1103 D1104N1101-N1103 PolarHBondContact O-N 2.91Å; N1101-D1104 HydrophobicContact CB-CB 4.02Å; N1101-D1104 WeakPolarHBondContact CB-OD2 3.24Å; N1101-D1104 PolarHBondContact ND2-OD2 3.04Å; N1101-D1104 PolarHBondContact O-N 3.49Å
1102I60.3Low74.7Confident123 Ų12362 Ų6263%0.63132%0.322SS*.THydrogen-bonded Turntrans-61.2-25.2177-57.9169.8000111.5R1097 L1100R1097-I1102 PolarHBondContact NH1-O 2.92Å; L1100-I1102 PolarHBondContact O-N 2.82Å
1103N55.8Low74.2Confident160 Ų16069.2 Ų69.286%0.85636%0.36SS*.THydrogen-bonded Turntrans-83.2-13.6-179.7-65.3-16.8000114.6N1101N1101-N1103 PolarHBondContact O-N 2.91Å
1104D56.4Low73.3Confident80 Ų8071.6 Ų71.643%0.42839%0.385SS..SBendtrans-80.2132.9175.5-84.9-33.6000110.7N1101N1101-D1104 HydrophobicContact CB-CB 4.02Å; N1101-D1104 WeakPolarHBondContact CB-OD2 3.24Å; N1101-D1104 PolarHBondContact ND2-OD2 3.04Å; N1101-D1104 PolarHBondContact O-N 3.49Å
1105N60.1Low72.7Confident152 Ų15278.4 Ų78.481%0.81342%0.415SS*.PPolyproline II helixtrans-64136177.9-77.1-31.5000110.6N1107N1105-N1107 PolarHBondContact O-N 3.14Å
1106F73.2Confident72.4Confident50 Ų5079 Ų7922%0.21942%0.423CS..PPolyproline II helixtrans-61.2131.7172.3-79.1-94.3000110.3Y1095 R1097 Q1108 T1130 Y1132Y1095-F1106 HydrophobicContact CD1-CB 3.89Å; Y1095-F1106 HydrophobicContact CD1-CG 4.46Å; R1097-F1106 HydrophobicContact CB-CD1 3.77Å; R1097-F1106 HydrophobicContact CB-CE1 4.06Å; R1097-F1106 HydrophobicContact CB-CG 4.12Å; R1097-F1106 VanDerWaalsContact CD-CE2 3.43Å; R1097-F1106 VanDerWaalsContact CD-CZ 3.41Å; R1097-F1106 HydrophobicContact CG-CD1 3.66Å; R1097-F1106 HydrophobicContact CG-CD2 4.35Å; R1097-F1106 HydrophobicContact CG-CE1 3.41Å; R1097-F1106 VanDerWaalsContact CG-CE1 3.41Å; R1097-F1106 HydrophobicContact CG-CE2 4.12Å; R1097-F1106 HydrophobicContact CG-CG 4.15Å; R1097-F1106 HydrophobicContact CG-CZ 3.65Å; R1097-F1106 VanDerWaalsContact CZ-CE2 3.46Å; R1097-F1106 VanDerWaalsContact NE-CE2 3.35Å; F1106-Q1108 PolarHBondContact O-N 3.13Å; F1106-T1130 HydrophobicContact CE1-CG2 4.4Å; F1106-T1130 HydrophobicContact CZ-CG2 4.46Å; F1106-Y1132 HydrophobicContact CD1-CE1 4.17Å; F1106-Y1132 HydrophobicContact CE1-CD1 4.1Å; F1106-Y1132 AromaticContact CE1-CE1 3.57Å; F1106-Y1132 HydrophobicContact CE1-CE1 3.57Å; F1106-Y1132 HydrophobicContact CE2-CE1 4.22Å; F1106-Y1132 HydrophobicContact CZ-CD1 4.38Å; F1106-Y1132 AromaticContact CZ-CE1 3.62Å; F1106-Y1132 HydrophobicContact CZ-CE1 3.62Å
1107N77.3Confident72.5Confident108 Ų10883.5 Ų83.558%0.57844%0.444SS*.EExtended strand (participates in β ladder)trans-70.9117.9165.8-74.4-36000108.6Y1095 V1096 N1105 F1109Y1095-N1107 WeakPolarHBondContact CA-O 3.45Å; V1096-N1107 PolarHBondContact N-O 2.7Å; V1096-N1107 PolarHBondContact O-N 3.3Å; N1105-N1107 PolarHBondContact O-N 3.14Å; N1107-F1109 HydrophobicContact CB-CE2 3.89Å; N1107-F1109 HydrophobicContact CB-CZ 4.18Å
1108Q83.5Confident72.6Confident89 Ų8984.4 Ų84.442%0.41645%0.449SS..EExtended strand (participates in β ladder)trans-101.2125.7-176.6-175.4-177.27.100110.8S1093 L1094 Y1095 F1106 N1110S1093-Q1108 VanDerWaalsContact OG-CG 3.26Å; S1093-Q1108 WeakPolarHBondContact OG-CG 3.39Å; S1093-Q1108 PolarHBondContact OG-NE2 2.77Å; L1094-Q1108 CarbonylContact O-C 3.58Å; L1094-Q1108 WeakPolarHBondContact O-CA 3.43Å; Y1095-Q1108 HydrophobicContact CD1-CB 4.12Å; Y1095-Q1108 HydrophobicContact CD1-CG 4.14Å; Y1095-Q1108 HydrophobicContact CE1-CB 3.94Å; Y1095-Q1108 HydrophobicContact CE1-CG 3.62Å; Y1095-Q1108 PolarHBondContact OH-NE2 2.8Å; F1106-Q1108 PolarHBondContact O-N 3.13Å; Q1108-N1110 PolarHBondContact NE2-OD1 2.78Å
1109F83Confident73.1Confident70 Ų7086.2 Ų86.231%0.30746%0.46SS..EExtended strand (participates in β ladder)trans-118.7114175.2-55.2-87.9000109.8S1093 L1094 V1096 N1107 I1111 F1118 V1120S1093-F1109 WeakPolarHBondContact CA-O 3.47Å; L1094-F1109 HydrophobicContact CB-CB 4.3Å; L1094-F1109 HydrophobicContact CD2-CD2 4.37Å; L1094-F1109 PolarHBondContact N-O 2.7Å; L1094-F1109 PolarHBondContact O-N 2.74Å; V1096-F1109 HydrophobicContact CG2-CD2 4.47Å; V1096-F1109 HydrophobicContact CG2-CE2 4.29Å; N1107-F1109 HydrophobicContact CB-CE2 3.89Å; N1107-F1109 HydrophobicContact CB-CZ 4.18Å; F1109-I1111 VanDerWaalsContact O-CD1 3.28Å; F1109-I1111 WeakPolarHBondContact O-CD1 3.45Å; F1109-F1118 HydrophobicContact CB-CE1 3.81Å; F1109-F1118 HydrophobicContact CB-CZ 3.86Å; F1109-F1118 AromaticContact CD1-CE1 3.82Å; F1109-F1118 HydrophobicContact CD1-CE1 3.82Å; F1109-F1118 AromaticContact CD1-CZ 3.65Å; F1109-F1118 HydrophobicContact CD1-CZ 3.65Å; F1109-F1118 HydrophobicContact CD2-CE1 4.11Å; F1109-F1118 HydrophobicContact CE1-CE1 4.41Å; F1109-F1118 HydrophobicContact CE1-CZ 4.39Å; F1109-F1118 AromaticContact CG-CE1 3.64Å; F1109-F1118 HydrophobicContact CG-CE1 3.64Å; F1109-F1118 AromaticContact CG-CZ 3.84Å; F1109-F1118 HydrophobicContact CG-CZ 3.84Å; F1109-V1120 HydrophobicContact CE2-CG1 4.32Å
1110N81.4Confident73.6Confident91 Ų9184.8 Ų84.849%0.48745%0.451SS..EExtended strand (participates in β ladder)trans-87.6114.3177.9-70.4-27.8000110.7C1092 S1093 Q1108C1092-N1110 CarbonylContact O-C 3.53Å; S1093-N1110 VanDerWaalsContact CB-OD1 3.31Å; S1093-N1110 WeakPolarHBondContact CB-OD1 3.48Å; S1093-N1110 PolarHBondContact OG-OD1 3.33Å; Q1108-N1110 PolarHBondContact NE2-OD1 2.78Å
1111I83.9Confident74.3Confident11 Ų1184.5 Ų84.56%0.05645%0.453CS..EExtended strand (participates in β ladder)trans-105.1101.8179.8-53.3108.9000109.3W1078 C1092 L1094 F1109 K1115 F1118W1078-I1111 HydrophobicContact CH2-CB 4.22Å; W1078-I1111 HydrophobicContact CH2-CD1 3.89Å; W1078-I1111 HydrophobicContact CH2-CG1 4.13Å; W1078-I1111 HydrophobicContact CH2-CG2 4Å; W1078-I1111 HydrophobicContact CZ2-CB 4.24Å; W1078-I1111 HydrophobicContact CZ2-CD1 4.5Å; W1078-I1111 HydrophobicContact CZ2-CG2 3.93Å; C1092-I1111 HydrophobicContact CB-CB 4.41Å; C1092-I1111 PolarHBondContact N-O 3.27Å; C1092-I1111 WeakPolarHBondContact O-CA 2.74Å; C1092-I1111 PolarHBondContact O-N 3.05Å; L1094-I1111 HydrophobicContact CB-CD1 3.64Å; F1109-I1111 VanDerWaalsContact O-CD1 3.28Å; F1109-I1111 WeakPolarHBondContact O-CD1 3.45Å; I1111-K1115 HydrophobicContact CG2-CB 3.62Å; I1111-K1115 HydrophobicContact CG2-CD 4.48Å; I1111-F1118 HydrophobicContact CD1-CB 4.31Å; I1111-F1118 HydrophobicContact CD1-CD2 4.49Å; I1111-F1118 HydrophobicContact CD1-CG 4.28Å; I1111-F1118 HydrophobicContact CG1-CB 4.23Å; I1111-F1118 HydrophobicContact CG1-CD2 3.85Å; I1111-F1118 HydrophobicContact CG1-CE2 4.46Å; I1111-F1118 HydrophobicContact CG1-CG 4.1Å
1112C75.4Confident75.4Confident45 Ų4585.5 Ų85.530%0.30447%0.467SS..  trans-105.8177.6177-73.30000112C1091C1091-C1112 HydrophobicContact CB-CB 4.09Å; C1091-C1112 WeakPolarHBondContact CB-SG 3.1Å; C1091-C1112 WeakPolarHBondContact SG-CA 3.47Å; C1091-C1112 WeakPolarHBondContact SG-CB 3.36Å; C1091-C1112 CovalentContact SG-SG 2.05Å; C1091-C1112 PolarHBondContact SG-SG 2.82Å
1113N71.7Confident76.1Confident156 Ų15680.4 Ų80.483%0.83444%0.441SS*.THydrogen-bonded Turntrans70.237.4175.6-52.7-18.1000115.5K1115N1113-K1115 PolarHBondContact O-N 3.33Å
1114G68.4Low76.6Confident50 Ų5077.7 Ų77.752%0.51543%0.426SS..THydrogen-bonded Turntrans736.3172.100000115.6
1115K73.3Confident77Confident144 Ų14476.2 Ų76.263%0.62642%0.421SS*.  trans-66.6139.2175.7-68.1-174.1178.3-174.50111.2W1078 I1111 N1113W1078-K1115 VanDerWaalsContact CZ2-O 3.31Å; W1078-K1115 WeakPolarHBondContact CZ2-O 3.37Å; I1111-K1115 HydrophobicContact CG2-CB 3.62Å; I1111-K1115 HydrophobicContact CG2-CD 4.48Å; N1113-K1115 PolarHBondContact O-N 3.33Å
1116S80.2Confident77.2Confident42 Ų4271.6 Ų71.629%0.29439%0.392SS..  trans-120.614.5-17778.10000114R1077 W1078R1077-S1116 CarbonylContact C-O 3.59Å; R1077-S1116 WeakPolarHBondContact CA-O 3.42Å; W1078-S1116 PolarHBondContact N-O 3.44Å; W1078-S1116 VanDerWaalsContact O-CB 3.24Å; W1078-S1116 WeakPolarHBondContact O-CB 3.44Å
1117E85Confident76.9Confident97 Ų9770.1 Ų70.145%0.45339%0.387SS..EExtended strand (participates in β ladder)trans-149.1153.4174.864179.5-144.700113.1I1076 R1077I1076-E1117 CarbonylContact O-C 3.6Å; I1076-E1117 VanDerWaalsContact O-CA 3.29Å; I1076-E1117 WeakPolarHBondContact O-CA 3.34Å; R1077-E1117 HydrophobicContact CB-CB 4.3Å; R1077-E1117 HydrophobicContact CG-CB 3.82Å; R1077-E1117 IonicContact CZ-OE2 3.79Å; R1077-E1117 IonicContact NE-OE2 3.33Å; R1077-E1117 PolarHBondContact NE-OE2 2.96Å; R1077-E1117 IonicContact NH2-OE2 3.9Å; R1077-E1117 PolarHBondContact NH2-OE2 2.99Å
1118F86.1Confident77Confident64 Ų6465 Ų6528%0.28136%0.36SS..EExtended strand (participates in β ladder)trans-155.1144.1178.5-169-100.4000112.5I1076 W1078 L1094 F1109 I1111 V1120I1076-F1118 HydrophobicContact CG2-CB 4.25Å; I1076-F1118 WeakPolarHBondContact CG2-O 3.16Å; I1076-F1118 PolarHBondContact N-O 3.23Å; I1076-F1118 PolarHBondContact O-N 3.21Å; W1078-F1118 HydrophobicContact CH2-CB 4.14Å; W1078-F1118 HydrophobicContact CZ3-CB 4.17Å; L1094-F1118 HydrophobicContact CD2-CB 4.45Å; L1094-F1118 HydrophobicContact CD2-CD1 3.43Å; L1094-F1118 VanDerWaalsContact CD2-CD1 3.43Å; L1094-F1118 HydrophobicContact CD2-CE1 4.06Å; L1094-F1118 HydrophobicContact CD2-CG 4.28Å; F1109-F1118 HydrophobicContact CB-CE1 3.81Å; F1109-F1118 HydrophobicContact CB-CZ 3.86Å; F1109-F1118 AromaticContact CD1-CE1 3.82Å; F1109-F1118 HydrophobicContact CD1-CE1 3.82Å; F1109-F1118 AromaticContact CD1-CZ 3.65Å; F1109-F1118 HydrophobicContact CD1-CZ 3.65Å; F1109-F1118 HydrophobicContact CD2-CE1 4.11Å; F1109-F1118 HydrophobicContact CE1-CE1 4.41Å; F1109-F1118 HydrophobicContact CE1-CZ 4.39Å; F1109-F1118 AromaticContact CG-CE1 3.64Å; F1109-F1118 HydrophobicContact CG-CE1 3.64Å; F1109-F1118 AromaticContact CG-CZ 3.84Å; F1109-F1118 HydrophobicContact CG-CZ 3.84Å; I1111-F1118 HydrophobicContact CD1-CB 4.31Å; I1111-F1118 HydrophobicContact CD1-CD2 4.49Å; I1111-F1118 HydrophobicContact CD1-CG 4.28Å; I1111-F1118 HydrophobicContact CG1-CB 4.23Å; I1111-F1118 HydrophobicContact CG1-CD2 3.85Å; I1111-F1118 HydrophobicContact CG1-CE2 4.46Å; I1111-F1118 HydrophobicContact CG1-CG 4.1Å; F1118-V1120 HydrophobicContact CD1-CG2 3.98Å; F1118-V1120 HydrophobicContact CE1-CG2 4.09Å
1119T86.9Confident76.8Confident66 Ų6661.4 Ų61.441%0.40534%0.343SS..EExtended strand (participates in β ladder)trans-114.7131.6178.4-61.30000111.1T1075 T1121T1075-T1119 WeakPolarHBondContact CG2-OG1 3.38Å; T1075-T1119 WeakPolarHBondContact OG1-CG2 3.33Å; T1075-T1119 PolarHBondContact OG1-OG1 2.57Å; T1119-T1121 HydrophobicContact CG2-CG2 4.32Å
1120V82.2Confident76.9Confident5 Ų559.1 Ų59.13%0.0333%0.334CS..EExtended strand (participates in β ladder)trans-109.2127-178.6-170.70000109.3Q1073 F1074 L1094 V1096 F1109 F1118 L1123Q1073-V1120 CarbonylContact C-O 3.59Å; Q1073-V1120 WeakPolarHBondContact CA-O 3.3Å; Q1073-V1120 WeakPolarHBondContact CB-O 3.29Å; F1074-V1120 HydrophobicContact CD2-CG2 4.42Å; F1074-V1120 HydrophobicContact CE1-CB 4.24Å; F1074-V1120 HydrophobicContact CE1-CG1 4.5Å; F1074-V1120 HydrophobicContact CE2-CB 4.03Å; F1074-V1120 HydrophobicContact CE2-CG2 3.66Å; F1074-V1120 HydrophobicContact CZ-CB 3.84Å; F1074-V1120 HydrophobicContact CZ-CG1 4.27Å; F1074-V1120 HydrophobicContact CZ-CG2 3.72Å; F1074-V1120 PolarHBondContact N-O 2.98Å; F1074-V1120 PolarHBondContact O-N 3.06Å; L1094-V1120 HydrophobicContact CD2-CG2 3.68Å; V1096-V1120 HydrophobicContact CG1-CG1 4.32Å; V1096-V1120 HydrophobicContact CG2-CG1 4.32Å; V1096-V1120 HydrophobicContact CG2-CG2 4.03Å; F1109-V1120 HydrophobicContact CE2-CG1 4.32Å; F1118-V1120 HydrophobicContact CD1-CG2 3.98Å; F1118-V1120 HydrophobicContact CE1-CG2 4.09Å; V1120-L1123 HydrophobicContact CG1-CD1 4.33Å; V1120-L1123 HydrophobicContact CG1-CD2 3.88Å; V1120-L1123 HydrophobicContact CG1-CG 4.35Å
1121T81.7Confident77.1Confident81 Ų8154.8 Ų54.850%0.49731%0.311SS..EExtended strand (participates in β ladder)trans-120.4171.4-176.157.10000111.8N1072 Q1073 T1119N1072-T1121 CarbonylContact O-C 3.6Å; Q1073-T1121 HydrophobicContact CB-CG2 4.19Å; T1119-T1121 HydrophobicContact CG2-CG2 4.32Å
1122S77.6Confident77.3Confident111 Ų11155.9 Ų55.978%0.77632%0.315SS*.SBendtrans64.539.6178.5-54.30000114.8N1072N1072-S1122 PolarHBondContact O-N 2.85Å
1123L75.1Confident77.8Confident17 Ų1753.8 Ų53.89%0.08930%0.3CS..PPolyproline II helixtrans-90155179-56175.7000112.3N1072 F1074 V1096 V1120 Y1129 T1154N1072-L1123 VanDerWaalsContact CA-O 3.28Å; N1072-L1123 WeakPolarHBondContact CA-O 3.29Å; N1072-L1123 WeakPolarHBondContact CB-O 3.42Å; N1072-L1123 PolarHBondContact O-N 3.38Å; F1074-L1123 HydrophobicContact CD1-CD1 3.19Å; F1074-L1123 HydrophobicContact CE1-CD1 3.28Å; F1074-L1123 HydrophobicContact CG-CD1 4.29Å; F1074-L1123 HydrophobicContact CZ-CD1 4.41Å; V1096-L1123 HydrophobicContact CG1-CD2 4.3Å; V1120-L1123 HydrophobicContact CG1-CD1 4.33Å; V1120-L1123 HydrophobicContact CG1-CD2 3.88Å; V1120-L1123 HydrophobicContact CG1-CG 4.35Å; L1123-Y1129 HydrophobicContact CB-CD2 4.49Å; L1123-Y1129 HydrophobicContact CB-CE2 3.73Å; L1123-Y1129 HydrophobicContact CD1-CD2 4.47Å; L1123-Y1129 HydrophobicContact CD1-CE2 4.46Å; L1123-Y1129 HydrophobicContact CD2-CD1 4.15Å; L1123-Y1129 HydrophobicContact CD2-CE1 3.67Å; L1123-Y1129 HydrophobicContact CD2-CE2 4.23Å; L1123-Y1129 HydrophobicContact CG-CE2 4.37Å; L1123-T1154 HydrophobicContact CB-CG2 4.12Å; L1123-T1154 HydrophobicContact CD1-CG2 4.13Å
1124L67.3Low78.4Confident102 Ų10248.9 Ų48.953%0.53427%0.272SS..PPolyproline II helixtrans-73.2135.2172.6-69.2168.4000109.8P1071 T1127 Y1129 T1154P1071-L1124 CarbonylContact O-C 3.59Å; L1124-T1127 HydrophobicContact CB-CG2 4.36Å; L1124-T1127 VanDerWaalsContact CB-OG1 3.24Å; L1124-T1127 WeakPolarHBondContact CB-OG1 3.3Å; L1124-T1127 WeakPolarHBondContact O-CB 3.36Å; L1124-T1127 PolarHBondContact O-OG1 2.81Å; L1124-Y1129 WeakPolarHBondContact CB-OH 2.88Å; L1124-Y1129 PolarHBondContact N-OH 2.93Å; L1124-Y1129 WeakPolarHBondContact O-CE2 3.37Å; L1124-T1154 WeakPolarHBondContact O-CB 3.38Å; L1124-T1154 PolarHBondContact O-OG1 3.08Å
1125P62.8Low79.2Confident50 Ų5046.5 Ų46.533%0.32525%0.247SC..THydrogen-bonded Turntrans-76.8155.3177.333.9-37.5000112P1071 T1127 P1157P1071-P1125 HydrophobicContact CB-CB 3.73Å; P1071-P1125 WeakPolarHBondContact O-CA 3.48Å; P1071-P1125 VanDerWaalsContact O-CB 3.29Å; P1071-P1125 WeakPolarHBondContact O-CB 3.49Å; P1125-T1127 PolarHBondContact O-N 2.85Å; P1125-T1127 PolarHBondContact O-OG1 2.73Å; P1125-T1127 VanDerWaalsContact O-OG1 3.04Å; P1125-P1157 HydrophobicContact CB-CB 3.95Å; P1125-P1157 HydrophobicContact CB-CG 3.59Å; P1125-P1157 HydrophobicContact CG-CB 4.02Å; P1125-P1157 HydrophobicContact CG-CG 3.69Å
1126R65.7Low79.3Confident55 Ų5540.6 Ų40.621%0.20822%0.221CC..THydrogen-bonded Turntrans53.530.2-173-150-171.681150.92.3114.4Y1153 T1154R1126-Y1153 HydrophobicContact CG-CE2 3.99Å; R1126-Y1153 WeakPolarHBondContact CG-OH 3.47Å; R1126-T1154 WeakPolarHBondContact CA-O 3.49Å; R1126-T1154 PolarHBondContact N-O 2.92Å; R1126-T1154 PolarHBondContact N-OG1 3.45Å
1127T67.1Low78.9Confident19 Ų1938.8 Ų38.812%0.11721%0.209CC..  trans-116.7123.9-173.7-57.60000108.2P1098 L1124 P1125 Y1129 T1154P1098-T1127 HydrophobicContact CB-CG2 3.72Å; P1098-T1127 HydrophobicContact CG-CG2 4.4Å; L1124-T1127 HydrophobicContact CB-CG2 4.36Å; L1124-T1127 VanDerWaalsContact CB-OG1 3.24Å; L1124-T1127 WeakPolarHBondContact CB-OG1 3.3Å; L1124-T1127 WeakPolarHBondContact O-CB 3.36Å; L1124-T1127 PolarHBondContact O-OG1 2.81Å; P1125-T1127 PolarHBondContact O-N 2.85Å; P1125-T1127 PolarHBondContact O-OG1 2.73Å; P1125-T1127 VanDerWaalsContact O-OG1 3.04Å; T1127-Y1129 HydrophobicContact CG2-CD2 4.12Å; T1127-Y1129 HydrophobicContact CG2-CE2 3.7Å; T1127-Y1129 WeakPolarHBondContact O-CD2 3.49Å; T1127-Y1129 PolarHBondContact O-N 2.93Å; T1127-Y1129 VanDerWaalsContact O-N 3.16Å; T1127-T1154 PolarHBondContact N-OG1 2.92Å; T1127-T1154 PolarHBondContact O-N 2.97Å; T1127-T1154 PolarHBondContact O-OG1 3.09Å; T1127-T1154 VanDerWaalsContact O-OG1 3.12Å
1128N78.9Confident78.2Confident1 Ų137.3 Ų37.31%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-67.3114.2169.7-76.8-48.3000108.1P1098 T1099 L1151 Y1153 D1186 H1187P1098-N1128 CarbonylContact C-O 3.59Å; T1099-N1128 WeakPolarHBondContact CB-O 3.28Å; T1099-N1128 PolarHBondContact N-O 2.89Å; T1099-N1128 VanDerWaalsContact OG1-C 3.24Å; T1099-N1128 PolarHBondContact OG1-O 3.04Å; N1128-L1151 HydrophobicContact CB-CD1 4.48Å; N1128-L1151 HydrophobicContact CB-CD2 3.93Å; N1128-L1151 HydrophobicContact CB-CG 4.15Å; N1128-L1151 WeakPolarHBondContact OD1-CD2 3.4Å; N1128-Y1153 WeakPolarHBondContact OD1-CD2 3.44Å; N1128-D1186 PolarHBondContact ND2-O 2.84Å; N1128-D1186 VanDerWaalsContact ND2-O 3.08Å; N1128-D1186 PolarHBondContact ND2-OD1 2.91Å; N1128-H1187 PolarHBondContact ND2-O 3.24Å
1129Y80.1Confident77Confident13 Ų1341.2 Ų41.25%0.05122%0.223CC..EExtended strand (participates in β ladder)trans-92.5124.5169.7-80.4-89.6000109.6F1074 V1096 R1097 P1098 L1123 L1124 T1127 L1151 I1152 T1154F1074-Y1129 HydrophobicContact CE1-CG 4.5Å; V1096-Y1129 HydrophobicContact CG1-CD1 3.61Å; V1096-Y1129 HydrophobicContact CG1-CE1 4.28Å; V1096-Y1129 HydrophobicContact CG1-CG 4.37Å; R1097-Y1129 CarbonylContact O-C 3.58Å; R1097-Y1129 VanDerWaalsContact O-CA 3.28Å; R1097-Y1129 WeakPolarHBondContact O-CA 3.14Å; R1097-Y1129 VanDerWaalsContact O-CD1 3.3Å; R1097-Y1129 WeakPolarHBondContact O-CD1 3.34Å; P1098-Y1129 HydrophobicContact CB-CE1 4.49Å; P1098-Y1129 HydrophobicContact CG-CE1 3.82Å; L1123-Y1129 HydrophobicContact CB-CD2 4.49Å; L1123-Y1129 HydrophobicContact CB-CE2 3.73Å; L1123-Y1129 HydrophobicContact CD1-CD2 4.47Å; L1123-Y1129 HydrophobicContact CD1-CE2 4.46Å; L1123-Y1129 HydrophobicContact CD2-CD1 4.15Å; L1123-Y1129 HydrophobicContact CD2-CE1 3.67Å; L1123-Y1129 HydrophobicContact CD2-CE2 4.23Å; L1123-Y1129 HydrophobicContact CG-CE2 4.37Å; L1124-Y1129 WeakPolarHBondContact CB-OH 2.88Å; L1124-Y1129 PolarHBondContact N-OH 2.93Å; L1124-Y1129 WeakPolarHBondContact O-CE2 3.37Å; T1127-Y1129 HydrophobicContact CG2-CD2 4.12Å; T1127-Y1129 HydrophobicContact CG2-CE2 3.7Å; T1127-Y1129 WeakPolarHBondContact O-CD2 3.49Å; T1127-Y1129 PolarHBondContact O-N 2.93Å; T1127-Y1129 VanDerWaalsContact O-N 3.16Å; Y1129-L1151 WeakPolarHBondContact O-CA 3.47Å; Y1129-I1152 PolarHBondContact N-O 2.89Å; Y1129-I1152 PolarHBondContact O-N 2.86Å; Y1129-T1154 HydrophobicContact CD2-CG2 3.75Å; Y1129-T1154 HydrophobicContact CE2-CG2 3.92Å
1130T84.1Confident75.7Confident21 Ų2143.2 Ų43.213%0.12922%0.224CC..EExtended strand (participates in β ladder)trans-85.7121.9167.6-67.30000107.9R1097 T1099 F1106R1097-T1130 PolarHBondContact N-O 2.88Å; R1097-T1130 PolarHBondContact O-N 3.14Å; T1099-T1130 WeakPolarHBondContact CG2-OG1 2.86Å; T1099-T1130 PolarHBondContact OG1-N 3.43Å; T1099-T1130 VanDerWaalsContact OG1-N 3.16Å; T1099-T1130 PolarHBondContact OG1-OG1 2.88Å; F1106-T1130 HydrophobicContact CE1-CG2 4.4Å; F1106-T1130 HydrophobicContact CZ-CG2 4.46Å
1131V86.2Confident74.9Confident0 Ų045.2 Ų45.20%025%0.246CC..EExtended strand (participates in β ladder)trans-130.5134.9-176.1-1750000110.6F1074 I1076 L1094 Y1095 V1096 S1149 F1150 I1152F1074-V1131 HydrophobicContact CE1-CG2 4.07Å; F1074-V1131 HydrophobicContact CE2-CG1 4.32Å; F1074-V1131 HydrophobicContact CE2-CG2 4.19Å; F1074-V1131 HydrophobicContact CZ-CG1 4.3Å; F1074-V1131 HydrophobicContact CZ-CG2 3.53Å; I1076-V1131 HydrophobicContact CD1-CG1 3.76Å; L1094-V1131 HydrophobicContact CD1-CG1 3.44Å; L1094-V1131 VanDerWaalsContact CD1-CG1 3.44Å; L1094-V1131 HydrophobicContact CG-CG1 4.45Å; Y1095-V1131 VanDerWaalsContact O-CA 3.3Å; Y1095-V1131 WeakPolarHBondContact O-CA 3.35Å; V1096-V1131 HydrophobicContact CB-CG2 4.4Å; V1096-V1131 HydrophobicContact CG1-CG2 4.02Å; V1096-V1131 HydrophobicContact CG2-CG1 4.09Å; V1096-V1131 HydrophobicContact CG2-CG2 4.18Å; V1131-S1149 CarbonylContact O-C 3.57Å; V1131-S1149 WeakPolarHBondContact O-CA 3.43Å; V1131-F1150 PolarHBondContact N-O 3.01Å; V1131-F1150 PolarHBondContact O-N 3.35Å; V1131-I1152 HydrophobicContact CB-CD1 3.84Å; V1131-I1152 HydrophobicContact CG1-CD1 4.3Å; V1131-I1152 HydrophobicContact CG2-CD1 3.55Å; V1131-I1152 HydrophobicContact CG2-CG1 4.22Å
1132Y86.6Confident74.1Confident35 Ų3542.8 Ų42.814%0.13723%0.229CC..EExtended strand (participates in β ladder)trans-147.3159.5170.465.3-95000110.8Y1095 F1106 K1134 A1146Y1095-Y1132 AromaticContact CD2-CD2 3.93Å; Y1095-Y1132 HydrophobicContact CD2-CD2 3.93Å; Y1095-Y1132 AromaticContact CD2-CE2 3.29Å; Y1095-Y1132 HydrophobicContact CD2-CE2 3.29Å; Y1095-Y1132 AromaticContact CD2-CZ 3.84Å; Y1095-Y1132 AromaticContact CE2-CE2 3.97Å; Y1095-Y1132 HydrophobicContact CE2-CE2 3.97Å; Y1095-Y1132 HydrophobicContact CG-CD2 4.39Å; Y1095-Y1132 HydrophobicContact CG-CE1 4.41Å; Y1095-Y1132 AromaticContact CG-CE2 3.63Å; Y1095-Y1132 HydrophobicContact CG-CE2 3.63Å; Y1095-Y1132 AromaticContact CG-CZ 3.66Å; Y1095-Y1132 PolarHBondContact N-O 2.8Å; Y1095-Y1132 PolarHBondContact O-N 2.99Å; Y1095-Y1132 VanDerWaalsContact O-N 3.17Å; F1106-Y1132 HydrophobicContact CD1-CE1 4.17Å; F1106-Y1132 HydrophobicContact CE1-CD1 4.1Å; F1106-Y1132 AromaticContact CE1-CE1 3.57Å; F1106-Y1132 HydrophobicContact CE1-CE1 3.57Å; F1106-Y1132 HydrophobicContact CE2-CE1 4.22Å; F1106-Y1132 HydrophobicContact CZ-CD1 4.38Å; F1106-Y1132 AromaticContact CZ-CE1 3.62Å; F1106-Y1132 HydrophobicContact CZ-CE1 3.62Å; Y1132-K1134 HydrophobicContact CD2-CG 4.14Å; Y1132-K1134 HydrophobicContact CE2-CD 3.9Å; Y1132-K1134 VanDerWaalsContact CE2-CE 3.45Å; Y1132-K1134 HydrophobicContact CE2-CG 4Å; Y1132-A1146 HydrophobicContact CD2-CB 3.47Å; Y1132-A1146 VanDerWaalsContact CD2-CB 3.47Å; Y1132-A1146 HydrophobicContact CE2-CB 4.01Å; Y1132-A1146 HydrophobicContact CG-CB 3.94Å
1133L86.9Confident73.9Confident0 Ų040.6 Ų40.60%020%0.204CC..EExtended strand (participates in β ladder)trans-111.2147.5172.8-70.496.7000110.5P1061 V1064 I1076 W1078 C1092 S1093 L1094 A1146 T1147P1061-L1133 HydrophobicContact CG-CB 4.07Å; V1064-L1133 HydrophobicContact CG1-CD1 3.65Å; V1064-L1133 HydrophobicContact CG2-CD1 4.23Å; I1076-L1133 HydrophobicContact CD1-CD1 3.44Å; I1076-L1133 VanDerWaalsContact CD1-CD1 3.44Å; I1076-L1133 HydrophobicContact CG1-CD1 4.03Å; W1078-L1133 HydrophobicContact CD2-CD2 3.67Å; W1078-L1133 HydrophobicContact CE3-CD2 3.47Å; W1078-L1133 VanDerWaalsContact CE3-CD2 3.47Å; W1078-L1133 HydrophobicContact CG-CD2 4.39Å; W1078-L1133 HydrophobicContact CH2-CD2 3.96Å; W1078-L1133 HydrophobicContact CZ2-CD2 4.11Å; W1078-L1133 HydrophobicContact CZ3-CD2 3.65Å; C1092-L1133 HydrophobicContact CB-CD2 4.33Å; S1093-L1133 CarbonylContact O-C 3.44Å; S1093-L1133 WeakPolarHBondContact O-CA 3.47Å; L1094-L1133 HydrophobicContact CD1-CD1 3.89Å; L1094-L1133 HydrophobicContact CD1-CD2 4.48Å; L1094-L1133 HydrophobicContact CD1-CG 3.81Å; L1133-A1146 CarbonylContact O-C 3.58Å; L1133-A1146 WeakPolarHBondContact O-CA 3.32Å; L1133-T1147 HydrophobicContact CB-CG2 4.11Å; L1133-T1147 PolarHBondContact N-OG1 3.42Å; L1133-T1147 PolarHBondContact O-N 2.88Å; L1133-T1147 PolarHBondContact O-OG1 3.43Å
1134K84.9Confident74Confident53 Ų5339.8 Ų39.823%0.2320%0.2CC..EExtended strand (participates in β ladder)trans-124.8128.9163-68.4171.7176.5163.30108.1C1092 S1093 Y1095 Y1132 Y1143 A1146C1092-K1134 CarbonylContact C-O 3.57Å; C1092-K1134 WeakPolarHBondContact CA-O 3.48Å; S1093-K1134 PolarHBondContact N-O 2.77Å; S1093-K1134 PolarHBondContact O-N 2.81Å; Y1095-K1134 HydrophobicContact CE2-CB 4.38Å; Y1095-K1134 HydrophobicContact CE2-CD 3.97Å; Y1095-K1134 HydrophobicContact CE2-CG 4.37Å; Y1132-K1134 HydrophobicContact CD2-CG 4.14Å; Y1132-K1134 HydrophobicContact CE2-CD 3.9Å; Y1132-K1134 VanDerWaalsContact CE2-CE 3.45Å; Y1132-K1134 HydrophobicContact CE2-CG 4Å; K1134-Y1143 HydrophobicContact CB-CD1 3.78Å; K1134-Y1143 HydrophobicContact CD-CD1 4.25Å; K1134-A1146 HydrophobicContact CG-CB 4.13Å
1135S83.9Confident74.1Confident0 Ų039.8 Ų39.80%020%0.201CC..EExtended strand (participates in β ladder)trans-76.9146.9162.650.60000109.4I1059 I1081 C1091 Y1143 S1144I1059-S1135 PolarHBondContact O-OG 2.82Å; I1081-S1135 VanDerWaalsContact CD1-CB 3.49Å; C1091-S1135 CarbonylContact O-C 3.57Å; C1091-S1135 VanDerWaalsContact O-CA 3.25Å; C1091-S1135 WeakPolarHBondContact O-CA 3.17Å; S1135-Y1143 CarbonylContact O-C 3.46Å; S1135-Y1143 WeakPolarHBondContact O-CA 3.37Å; S1135-S1144 PolarHBondContact N-OG 3.16Å; S1135-S1144 WeakPolarHBondContact O-CB 3.46Å; S1135-S1144 PolarHBondContact O-N 2.68Å; S1135-S1144 PolarHBondContact O-OG 3.1Å; S1135-S1144 VanDerWaalsContact O-OG 3.12Å; S1135-S1144 WeakPolarHBondContact OG-CB 3.5Å; S1135-S1144 PolarHBondContact OG-OG 2.89Å
1136F76Confident74.6Confident20 Ų2039.2 Ų39.29%0.08820%0.2CC..EExtended strand (participates in β ladder)trans-145.1143.9178.470.2-82.9000111.4I1090 C1091 T1138 I1142 Y1143I1090-F1136 CarbonylContact C-O 3.51Å; I1090-F1136 VanDerWaalsContact CA-O 3.31Å; I1090-F1136 WeakPolarHBondContact CA-O 3.08Å; C1091-F1136 HydrophobicContact CB-CD1 4.01Å; C1091-F1136 HydrophobicContact CB-CE1 3.4Å; C1091-F1136 HydrophobicContact CB-CE2 4.09Å; C1091-F1136 HydrophobicContact CB-CZ 3.45Å; C1091-F1136 VanDerWaalsContact CB-CZ 3.45Å; C1091-F1136 PolarHBondContact N-O 3.06Å; C1091-F1136 WeakPolarHBondContact O-CD1 3.3Å; C1091-F1136 PolarHBondContact O-N 3.27Å; F1136-T1138 HydrophobicContact CD2-CG2 4.42Å; F1136-T1138 HydrophobicContact CE2-CG2 3.93Å; F1136-I1142 VanDerWaalsContact CA-O 3.26Å; F1136-I1142 WeakPolarHBondContact CA-O 3.35Å; F1136-Y1143 HydrophobicContact CB-CD1 3.43Å; F1136-Y1143 VanDerWaalsContact CB-CD1 3.43Å; F1136-Y1143 HydrophobicContact CB-CD2 3.97Å; F1136-Y1143 HydrophobicContact CB-CE1 3.58Å; F1136-Y1143 HydrophobicContact CB-CE2 4.11Å; F1136-Y1143 HydrophobicContact CB-CG 3.62Å; F1136-Y1143 HydrophobicContact CD1-CD1 4.05Å; F1136-Y1143 AromaticContact CD1-CE1 3.49Å; F1136-Y1143 HydrophobicContact CD1-CE1 3.49Å; F1136-Y1143 VanDerWaalsContact CD1-CE1 3.49Å; F1136-Y1143 HydrophobicContact CD2-CE1 4.32Å; F1136-Y1143 HydrophobicContact CD2-CE2 4.5Å; F1136-Y1143 HydrophobicContact CE1-CE1 4.21Å; F1136-Y1143 AromaticContact CG-CD1 3.95Å; F1136-Y1143 HydrophobicContact CG-CD1 3.95Å; F1136-Y1143 AromaticContact CG-CE1 3.55Å; F1136-Y1143 HydrophobicContact CG-CE1 3.55Å; F1136-Y1143 HydrophobicContact CG-CE2 4.32Å; F1136-Y1143 HydrophobicContact CG-CG 4.48Å; F1136-Y1143 AromaticContact CG-CZ 3.75Å
1137N72.3Confident75.3Confident5 Ų536.9 Ų36.93%0.02719%0.192CC..EExtended strand (participates in β ladder)trans-83.1122.6174.9-174.4-55.7000109.5P1058 F1087 N1089 K1139 Y1140 G1141 I1142P1058-N1137 HydrophobicContact CG-CB 4.4Å; F1087-N1137 VanDerWaalsContact CD1-ND2 3.26Å; F1087-N1137 WeakPolarHBondContact CD1-ND2 3.36Å; N1089-N1137 CarbonylContact O-C 3.55Å; N1089-N1137 WeakPolarHBondContact O-CA 3.05Å; N1137-K1139 VanDerWaalsContact C-N 3.29Å; N1137-K1139 PolarHBondContact O-N 2.86Å; N1137-K1139 WeakPolarHBondContact OD1-CA 3.5Å; N1137-K1139 VanDerWaalsContact OD1-CB 3.26Å; N1137-K1139 WeakPolarHBondContact OD1-CB 3.47Å; N1137-K1139 PolarHBondContact OD1-N 2.58Å; N1137-Y1140 PolarHBondContact OD1-N 2.05Å; N1137-G1141 WeakPolarHBondContact O-CA 2.82Å; N1137-G1141 PolarHBondContact O-N 2.77Å; N1137-I1142 PolarHBondContact N-O 2.74Å
1138T69.2Low75.6Confident66 Ų6644 Ų4441%0.40522%0.222SC..THydrogen-bonded Turntrans-73.4-19.1-177.568.30000113.6N1089 C1091 F1136N1089-T1138 WeakPolarHBondContact CB-OG1 3.29Å; N1089-T1138 PolarHBondContact O-N 2.91Å; N1089-T1138 PolarHBondContact O-OG1 2.87Å; C1091-T1138 HydrophobicContact CB-CG2 4.22Å; C1091-T1138 WeakPolarHBondContact SG-CG2 3.28Å; F1136-T1138 HydrophobicContact CD2-CG2 4.42Å; F1136-T1138 HydrophobicContact CE2-CG2 3.93Å
1139K60.8Low75.4Confident145 Ų14547.6 Ų47.663%0.6325%0.246SC*.THydrogen-bonded Turntrans-79.3-39.4176.2-174.7178.7-179.8-176.80112.4N1137N1137-K1139 VanDerWaalsContact C-N 3.29Å; N1137-K1139 PolarHBondContact O-N 2.86Å; N1137-K1139 WeakPolarHBondContact OD1-CA 3.5Å; N1137-K1139 VanDerWaalsContact OD1-CB 3.26Å; N1137-K1139 WeakPolarHBondContact OD1-CB 3.47Å; N1137-K1139 PolarHBondContact OD1-N 2.58Å
1140Y61Low75.1Confident109 Ų10949.5 Ų49.543%0.42726%0.255SS..THydrogen-bonded Turntrans-105-11.2-175.7-57.6-69.9000113.7Y1054 N1137 I1142Y1054-Y1140 HydrophobicContact CE1-CD1 4.23Å; N1137-Y1140 PolarHBondContact OD1-N 2.05Å; Y1140-I1142 WeakPolarHBondContact O-CG1 3.4Å; Y1140-I1142 PolarHBondContact O-N 3.1Å
1141G63.8Low74.8Confident47 Ų4751.3 Ų51.349%0.48526%0.264SS..  trans70.415.1-178.900000114.3N1137 Y1143N1137-G1141 WeakPolarHBondContact O-CA 2.82Å; N1137-G1141 PolarHBondContact O-N 2.77Å; G1141-Y1143 WeakPolarHBondContact O-CD2 3.31Å
1142I65.3Low74.3Confident30 Ų3051.4 Ų51.415%0.15426%0.264CS..PPolyproline II helixtrans-96119.5-171.4-59.8173.3000110.2Y1054 R1057 F1136 N1137 Y1140Y1054-I1142 VanDerWaalsContact CB-CD1 3.49Å; Y1054-I1142 HydrophobicContact CD1-CD1 3.12Å; Y1054-I1142 HydrophobicContact CD2-CD1 3.62Å; Y1054-I1142 HydrophobicContact CE1-CD1 3.59Å; Y1054-I1142 HydrophobicContact CE2-CD1 4.03Å; Y1054-I1142 HydrophobicContact CG-CD1 3.11Å; R1057-I1142 HydrophobicContact CG-CG2 4.44Å; F1136-I1142 VanDerWaalsContact CA-O 3.26Å; F1136-I1142 WeakPolarHBondContact CA-O 3.35Å; N1137-I1142 PolarHBondContact N-O 2.74Å; Y1140-I1142 WeakPolarHBondContact O-CG1 3.4Å; Y1140-I1142 PolarHBondContact O-N 3.1Å
1143Y73.6Confident73.7Confident64 Ų6453.6 Ų53.625%0.25127%0.273SS..BIsolated β-bridgetrans-88.7142.9177.6-70.2-102000111.7R1057 K1134 S1135 F1136 G1141R1057-Y1143 WeakPolarHBondContact CD-O 3.42Å; R1057-Y1143 WeakPolarHBondContact CG-O 3.3Å; R1057-Y1143 PolarHBondContact NH1-O 3.44Å; R1057-Y1143 VanDerWaalsContact NH1-O 3.11Å; K1134-Y1143 HydrophobicContact CB-CD1 3.78Å; K1134-Y1143 HydrophobicContact CD-CD1 4.25Å; S1135-Y1143 CarbonylContact O-C 3.46Å; S1135-Y1143 WeakPolarHBondContact O-CA 3.37Å; F1136-Y1143 HydrophobicContact CB-CD1 3.43Å; F1136-Y1143 VanDerWaalsContact CB-CD1 3.43Å; F1136-Y1143 HydrophobicContact CB-CD2 3.97Å; F1136-Y1143 HydrophobicContact CB-CE1 3.58Å; F1136-Y1143 HydrophobicContact CB-CE2 4.11Å; F1136-Y1143 HydrophobicContact CB-CG 3.62Å; F1136-Y1143 HydrophobicContact CD1-CD1 4.05Å; F1136-Y1143 AromaticContact CD1-CE1 3.49Å; F1136-Y1143 HydrophobicContact CD1-CE1 3.49Å; F1136-Y1143 VanDerWaalsContact CD1-CE1 3.49Å; F1136-Y1143 HydrophobicContact CD2-CE1 4.32Å; F1136-Y1143 HydrophobicContact CD2-CE2 4.5Å; F1136-Y1143 HydrophobicContact CE1-CE1 4.21Å; F1136-Y1143 AromaticContact CG-CD1 3.95Å; F1136-Y1143 HydrophobicContact CG-CD1 3.95Å; F1136-Y1143 AromaticContact CG-CE1 3.55Å; F1136-Y1143 HydrophobicContact CG-CE1 3.55Å; F1136-Y1143 HydrophobicContact CG-CE2 4.32Å; F1136-Y1143 HydrophobicContact CG-CG 4.48Å; F1136-Y1143 AromaticContact CG-CZ 3.75Å; G1141-Y1143 WeakPolarHBondContact O-CD2 3.31Å
1144S77.8Confident72.7Confident0 Ų053.6 Ų53.60%027%0.273CS..PPolyproline II helixtrans-66.3168.4171.963.90000112.8P1058 S1135 A1146P1058-S1144 WeakPolarHBondContact O-CB 3.42Å; S1135-S1144 PolarHBondContact N-OG 3.16Å; S1135-S1144 WeakPolarHBondContact O-CB 3.46Å; S1135-S1144 PolarHBondContact O-N 2.68Å; S1135-S1144 PolarHBondContact O-OG 3.1Å; S1135-S1144 VanDerWaalsContact O-OG 3.12Å; S1135-S1144 WeakPolarHBondContact OG-CB 3.5Å; S1135-S1144 PolarHBondContact OG-OG 2.89Å; S1144-A1146 PolarHBondContact O-N 2.89Å
1145N69.1Low71.2Confident102 Ų10253.9 Ų53.955%0.54528%0.279SS..PPolyproline II helixtrans-57.7138.4162.9-71.2-20.4000108.3R1057 K1060 T1147R1057-N1145 WeakPolarHBondContact CD-OD1 3.32Å; K1060-N1145 WeakPolarHBondContact CB-O 3.28Å; N1145-T1147 PolarHBondContact O-N 2.84Å
1146A73.7Confident69.4Low38 Ų3859.9 Ų59.931%0.31430%0.303SS..PPolyproline II helixtrans-53.2142.4172.400000109.5Y1132 L1133 K1134 S1144Y1132-A1146 HydrophobicContact CD2-CB 3.47Å; Y1132-A1146 VanDerWaalsContact CD2-CB 3.47Å; Y1132-A1146 HydrophobicContact CE2-CB 4.01Å; Y1132-A1146 HydrophobicContact CG-CB 3.94Å; L1133-A1146 CarbonylContact O-C 3.58Å; L1133-A1146 WeakPolarHBondContact O-CA 3.32Å; K1134-A1146 HydrophobicContact CG-CB 4.13Å; S1144-A1146 PolarHBondContact O-N 2.89Å
1147T79.9Confident67.9Low7 Ų761.2 Ų61.24%0.04331%0.313CS..PPolyproline II helixtrans-56.5159161.759.10000109K1060 P1061 V1064 L1133 N1145 S1149K1060-T1147 HydrophobicContact CB-CG2 4.16Å; K1060-T1147 HydrophobicContact CG-CG2 4.43Å; P1061-T1147 HydrophobicContact CB-CG2 4.04Å; P1061-T1147 HydrophobicContact CG-CG2 4.22Å; P1061-T1147 WeakPolarHBondContact O-CG2 3.42Å; V1064-T1147 HydrophobicContact CG2-CG2 3.86Å; L1133-T1147 HydrophobicContact CB-CG2 4.11Å; L1133-T1147 PolarHBondContact N-OG1 3.42Å; L1133-T1147 PolarHBondContact O-N 2.88Å; L1133-T1147 PolarHBondContact O-OG1 3.43Å; N1145-T1147 PolarHBondContact O-N 2.84Å; T1147-S1149 PolarHBondContact O-N 2.91Å; T1147-S1149 VanDerWaalsContact O-N 3.09Å
1148K72.7Confident66.6Low169 Ų16967.2 Ų67.274%0.73535%0.353SS*.PPolyproline II helixtrans-51.5126.9174-174.5178.5179.6-177.30106.9F1150K1148-F1150 WeakPolarHBondContact O-CD2 3.3Å; K1148-F1150 WeakPolarHBondContact O-CE2 3.44Å; K1148-F1150 PolarHBondContact O-N 3.26Å; K1148-F1150 VanDerWaalsContact O-N 3.08Å
1149S75.1Confident65.4Low75 Ų7568.6 Ų68.652%0.52436%0.364SS..PPolyproline II helixtrans-57.2119.3176.638.70000108.5V1131 T1147V1131-S1149 CarbonylContact O-C 3.57Å; V1131-S1149 WeakPolarHBondContact O-CA 3.43Å; T1147-S1149 PolarHBondContact O-N 2.91Å; T1147-S1149 VanDerWaalsContact O-N 3.09Å
1150F75Confident65.2Low54 Ų5462.9 Ų62.924%0.23734%0.34CS..EExtended strand (participates in β ladder)trans-85.9125.8173.1-61.5-83.2000106.8V1064 V1066 V1131 K1148 I1152V1064-F1150 HydrophobicContact CB-CD2 4.46Å; V1064-F1150 HydrophobicContact CB-CE1 4.4Å; V1064-F1150 HydrophobicContact CB-CE2 3.49Å; V1064-F1150 VanDerWaalsContact CB-CE2 3.49Å; V1064-F1150 HydrophobicContact CB-CZ 3.48Å; V1064-F1150 VanDerWaalsContact CB-CZ 3.48Å; V1064-F1150 HydrophobicContact CG1-CD2 3.93Å; V1064-F1150 HydrophobicContact CG1-CE2 3.42Å; V1064-F1150 VanDerWaalsContact CG1-CE2 3.42Å; V1064-F1150 HydrophobicContact CG1-CZ 3.83Å; V1064-F1150 HydrophobicContact CG2-CE2 4.15Å; V1064-F1150 HydrophobicContact CG2-CZ 4.36Å; V1066-F1150 HydrophobicContact CG2-CB 4.34Å; V1131-F1150 PolarHBondContact N-O 3.01Å; V1131-F1150 PolarHBondContact O-N 3.35Å; K1148-F1150 WeakPolarHBondContact O-CD2 3.3Å; K1148-F1150 WeakPolarHBondContact O-CE2 3.44Å; K1148-F1150 PolarHBondContact O-N 3.26Å; K1148-F1150 VanDerWaalsContact O-N 3.08Å; F1150-I1152 HydrophobicContact CB-CG1 4.33Å
1151L77.8Confident65Low58 Ų5862.6 Ų62.630%0.30434%0.342SS..EExtended strand (participates in β ladder)trans-87.6120.4166.9-14795.2000107.3T1099 N1128 Y1129 L1188T1099-L1151 HydrophobicContact CG2-CD1 4.06Å; N1128-L1151 HydrophobicContact CB-CD1 4.48Å; N1128-L1151 HydrophobicContact CB-CD2 3.93Å; N1128-L1151 HydrophobicContact CB-CG 4.15Å; N1128-L1151 WeakPolarHBondContact OD1-CD2 3.4Å; Y1129-L1151 WeakPolarHBondContact O-CA 3.47Å; L1151-L1188 HydrophobicContact CD1-CD1 3.59Å; L1151-L1188 HydrophobicContact CD2-CB 3.49Å; L1151-L1188 VanDerWaalsContact CD2-CB 3.49Å; L1151-L1188 HydrophobicContact CD2-CD1 3.34Å; L1151-L1188 HydrophobicContact CD2-CG 3.98Å; L1151-L1188 HydrophobicContact CG-CD1 3.99Å
1152I74.6Confident65.1Low3 Ų361.8 Ų61.82%0.01533%0.329CS..EExtended strand (participates in β ladder)trans-116107.1179.8-53.3174.3000106.3V1066 I1069 F1074 Y1129 V1131 F1150 T1154V1066-I1152 HydrophobicContact CB-CD1 4.15Å; V1066-I1152 HydrophobicContact CB-CG1 4.35Å; V1066-I1152 HydrophobicContact CG1-CD1 3.56Å; V1066-I1152 HydrophobicContact CG1-CG1 3.87Å; V1066-I1152 HydrophobicContact CG1-CG2 3.9Å; V1066-I1152 HydrophobicContact CG2-CD1 3.5Å; V1066-I1152 VanDerWaalsContact CG2-CD1 3.5Å; V1066-I1152 HydrophobicContact CG2-CG1 3.86Å; I1069-I1152 HydrophobicContact CD1-CG2 3.92Å; I1069-I1152 HydrophobicContact CG1-CG2 4.01Å; I1069-I1152 HydrophobicContact CG2-CG2 4.2Å; F1074-I1152 HydrophobicContact CB-CG2 3.96Å; F1074-I1152 HydrophobicContact CD1-CB 4.35Å; F1074-I1152 HydrophobicContact CD1-CD1 4.01Å; F1074-I1152 HydrophobicContact CD1-CG2 3.78Å; F1074-I1152 HydrophobicContact CD2-CD1 3.48Å; F1074-I1152 VanDerWaalsContact CD2-CD1 3.48Å; F1074-I1152 HydrophobicContact CE1-CD1 3.97Å; F1074-I1152 HydrophobicContact CE2-CD1 3.45Å; F1074-I1152 VanDerWaalsContact CE2-CD1 3.45Å; F1074-I1152 HydrophobicContact CG-CD1 3.81Å; F1074-I1152 HydrophobicContact CG-CG2 3.85Å; F1074-I1152 HydrophobicContact CZ-CD1 3.74Å; Y1129-I1152 PolarHBondContact N-O 2.89Å; Y1129-I1152 PolarHBondContact O-N 2.86Å; V1131-I1152 HydrophobicContact CB-CD1 3.84Å; V1131-I1152 HydrophobicContact CG1-CD1 4.3Å; V1131-I1152 HydrophobicContact CG2-CD1 3.55Å; V1131-I1152 HydrophobicContact CG2-CG1 4.22Å; F1150-I1152 HydrophobicContact CB-CG1 4.33Å; I1152-T1154 PolarHBondContact O-N 3.09Å
1153Y73.7Confident65.5Low80 Ų8060.5 Ų60.531%0.31432%0.322SS..EExtended strand (participates in β ladder)trans-84.3111.4176.1-174.2-118.3000109.5I1069 R1126 N1128 T1155 Y1156I1069-Y1153 WeakPolarHBondContact CG2-O 3.34Å; R1126-Y1153 HydrophobicContact CG-CE2 3.99Å; R1126-Y1153 WeakPolarHBondContact CG-OH 3.47Å; N1128-Y1153 WeakPolarHBondContact OD1-CD2 3.44Å; Y1153-T1155 PolarHBondContact O-N 2.99Å; Y1153-Y1156 HydrophobicContact CE1-CE2 4.46Å
1154T67.2Low65.5Low0 Ų059.8 Ų59.80%032%0.324CS..  trans-65.8129.3171.352.40000108.9P1071 L1123 L1124 R1126 T1127 Y1129 I1152P1071-T1154 WeakPolarHBondContact O-CB 3.36Å; L1123-T1154 HydrophobicContact CB-CG2 4.12Å; L1123-T1154 HydrophobicContact CD1-CG2 4.13Å; L1124-T1154 WeakPolarHBondContact O-CB 3.38Å; L1124-T1154 PolarHBondContact O-OG1 3.08Å; R1126-T1154 WeakPolarHBondContact CA-O 3.49Å; R1126-T1154 PolarHBondContact N-O 2.92Å; R1126-T1154 PolarHBondContact N-OG1 3.45Å; T1127-T1154 PolarHBondContact N-OG1 2.92Å; T1127-T1154 PolarHBondContact O-N 2.97Å; T1127-T1154 PolarHBondContact O-OG1 3.09Å; T1127-T1154 VanDerWaalsContact O-OG1 3.12Å; Y1129-T1154 HydrophobicContact CD2-CG2 3.75Å; Y1129-T1154 HydrophobicContact CE2-CG2 3.92Å; I1152-T1154 PolarHBondContact O-N 3.09Å
1155T52.1Low65.6Low60 Ų6065.1 Ų65.137%0.36835%0.353SS..  trans-62.6157.1-171.855.60000112.2I1069 K1070 P1071 Y1153I1069-T1155 HydrophobicContact CG2-CG2 4.3Å; K1070-T1155 VanDerWaalsContact C-OG1 3.27Å; P1071-T1155 WeakPolarHBondContact CA-O 3.42Å; P1071-T1155 WeakPolarHBondContact CB-O 3.33Å; P1071-T1155 WeakPolarHBondContact CD-OG1 3.42Å; P1071-T1155 WeakPolarHBondContact CG-OG1 3.25Å; P1071-T1155 VanDerWaalsContact N-OG1 3.13Å; Y1153-T1155 PolarHBondContact O-N 2.99Å
1156Y46Very low66.3Low126 Ų12661.6 Ų61.649%0.49433%0.334SS..  trans-45.1132.3-177.6-81.2-93.1000114.5Y1153Y1153-Y1156 HydrophobicContact CE1-CE2 4.46Å
1157P46.3Very low66.8Low47 Ų4763.5 Ų63.531%0.30534%0.342SS..  trans-79.7147.3137.538.3-26.8000107.8P1125 C1159P1125-P1157 HydrophobicContact CB-CB 3.95Å; P1125-P1157 HydrophobicContact CB-CG 3.59Å; P1125-P1157 HydrophobicContact CG-CB 4.02Å; P1125-P1157 HydrophobicContact CG-CG 3.69Å; P1157-C1159 PolarHBondContact O-N 2.84Å
1158P43.8Very low67Low132 Ų13265 Ų6586%0.85735%0.35SS*.SBendtrans-73.899.6-175.228.5-31.1000111.5
1159C44.9Very low67.2Low95 Ų9559 Ų5964%0.64233%0.329SS*.  trans159.9150.1145.2-159.20000114.3P1157P1157-C1159 PolarHBondContact O-N 2.84Å
1160I55.1Low67.2Low24 Ų2460.9 Ų60.912%0.12333%0.329CS..  trans-107.2143.2-169.2-63.8174.3000113.9D1242 H1246I1160-D1242 HydrophobicContact CD1-CB 3.62Å; I1160-D1242 WeakPolarHBondContact CD1-OD2 3.44Å; I1160-H1246 HydrophobicContact CD1-CB 4.34Å
1161Q56.9Low67.2Low103 Ų10360.9 Ų60.948%0.48133%0.331SS..PPolyproline II helixtrans-77.9152.2-179.6-74.9-171.6-16.800114.9A1183Q1161-A1183 WeakPolarHBondContact O-CB 3.02Å
1162P66.1Low66.8Low30 Ų3059 Ų5920%0.19532%0.321CS..PPolyproline II helixtrans-72154.417928.2-33.1000113.9A1183 I1249P1162-A1183 WeakPolarHBondContact O-CB 3.23Å; P1162-I1249 HydrophobicContact CB-CG1 4Å; P1162-I1249 WeakPolarHBondContact CB-O 3.33Å; P1162-I1249 HydrophobicContact CG-CD1 3.94Å; P1162-I1249 HydrophobicContact CG-CG1 3.74Å
1163P74.8Confident66.6Low3 Ų359.5 Ų59.52%0.01932%0.324CS..PPolyproline II helixtrans-54.7147.2169.5-23.433.8000113.2W1180 Y1197 V1238 C1240 S1251P1163-W1180 HydrophobicContact CB-CB 4.41Å; P1163-W1180 HydrophobicContact CB-CG 4.33Å; P1163-Y1197 HydrophobicContact CG-CD1 4.16Å; P1163-Y1197 HydrophobicContact CG-CE1 4.08Å; P1163-V1238 HydrophobicContact CB-CB 4.31Å; P1163-V1238 HydrophobicContact CB-CG1 4.34Å; P1163-V1238 HydrophobicContact CG-CB 4.19Å; P1163-V1238 HydrophobicContact CG-CG1 3.95Å; P1163-C1240 HydrophobicContact CG-CB 4.39Å; P1163-S1251 WeakPolarHBondContact O-CB 3.29Å
1164V74.1Confident66.8Low49 Ų4958.7 Ų58.730%0.29732%0.321SS..EExtended strand (participates in β ladder)trans-126.4166.6-172.2-64.40000112.1L1166 D1181V1164-L1166 PolarHBondContact O-N 3.27Å; V1164-D1181 HydrophobicContact CG2-CB 4.28Å; V1164-D1181 PolarHBondContact N-O 2.91Å; V1164-D1181 PolarHBondContact O-N 2.82Å
1165N78.8Confident67.4Low112 Ų11258.8 Ų58.860%0.59932%0.322SS*.EExtended strand (participates in β ladder)trans5350.5-178.9-67.5-16000114.2T1167 D1181N1165-T1167 PolarHBondContact O-N 3.15Å; N1165-T1167 VanDerWaalsContact O-N 3.12Å; N1165-D1181 HydrophobicContact CB-CB 4.23Å; N1165-D1181 VanDerWaalsContact CB-OD2 3.25Å; N1165-D1181 WeakPolarHBondContact CB-OD2 3.27Å; N1165-D1181 PolarHBondContact ND2-OD2 2.81Å
1166L83.5Confident69Low28 Ų2856 Ų5615%0.14730%0.304CS..EExtended strand (participates in β ladder)trans-62.4119.2172.5-78.775.9000109.2V1164 H1179 W1180 V1238 S1251 I1254V1164-L1166 PolarHBondContact O-N 3.27Å; L1166-H1179 CarbonylContact C-O 3.57Å; L1166-H1179 VanDerWaalsContact CA-O 3.31Å; L1166-H1179 WeakPolarHBondContact CA-O 3.38Å; L1166-W1180 HydrophobicContact CD1-CB 4.39Å; L1166-W1180 HydrophobicContact CG-CB 4.29Å; L1166-V1238 HydrophobicContact CD2-CG2 3.9Å; L1166-V1238 HydrophobicContact CG-CG2 4.42Å; L1166-S1251 VanDerWaalsContact CD2-OG 3.31Å; L1166-S1251 WeakPolarHBondContact CD2-OG 3.48Å; L1166-I1254 HydrophobicContact CB-CG2 4.2Å; L1166-I1254 HydrophobicContact CD2-CG2 4.09Å; L1166-I1254 WeakPolarHBondContact O-CD1 3.33Å
1167T84.8Confident70.9Confident79 Ų7950.3 Ų50.349%0.48528%0.283SS..EExtended strand (participates in β ladder)trans-126.4155.9173.356.40000109.5N1165 H1179N1165-T1167 PolarHBondContact O-N 3.15Å; N1165-T1167 VanDerWaalsContact O-N 3.12Å; T1167-H1179 PolarHBondContact N-O 2.81Å; T1167-H1179 PolarHBondContact O-N 3.16Å
1168I84.3Confident72.8Confident39 Ų3948 Ų4820%0.227%0.268CS..EExtended strand (participates in β ladder)trans-122.6134.1-178-67.2-176.4000108.9I1171 F1176 T1177 V1178 I1254 V1256I1168-I1171 HydrophobicContact CG2-CD1 3.83Å; I1168-I1171 HydrophobicContact CG2-CG1 3.58Å; I1168-F1176 HydrophobicContact CD1-CD2 4.13Å; I1168-F1176 HydrophobicContact CD1-CE2 4.17Å; I1168-F1176 HydrophobicContact CG1-CD2 4.49Å; I1168-F1176 HydrophobicContact CG2-CB 3.83Å; I1168-F1176 HydrophobicContact CG2-CD2 3.94Å; I1168-F1176 HydrophobicContact CG2-CG 4.09Å; I1168-T1177 WeakPolarHBondContact CA-O 3.47Å; I1168-V1178 HydrophobicContact CG1-CB 4.46Å; I1168-V1178 HydrophobicContact CG1-CG2 4.48Å; I1168-I1254 HydrophobicContact CD1-CD1 4.32Å; I1168-I1254 HydrophobicContact CD1-CG1 4.29Å; I1168-I1254 HydrophobicContact CD1-CG2 3.86Å; I1168-I1254 HydrophobicContact CG1-CD1 4.26Å; I1168-I1254 HydrophobicContact CG1-CG2 4.4Å; I1168-V1256 HydrophobicContact CD1-CB 3.49Å; I1168-V1256 VanDerWaalsContact CD1-CB 3.49Å; I1168-V1256 HydrophobicContact CD1-CG1 3.67Å; I1168-V1256 HydrophobicContact CD1-CG2 4.05Å; I1168-V1256 HydrophobicContact CG2-CG2 4.03Å
1169S77.5Confident74.8Confident43 Ų4344.4 Ų44.430%0.30124%0.24SC..EExtended strand (participates in β ladder)trans-135.6175.1174.988.70000110.1I1171 T1177 H1179S1169-I1171 PolarHBondContact O-N 2.78Å; S1169-I1171 VanDerWaalsContact O-N 3.11Å; S1169-T1177 PolarHBondContact N-O 2.7Å; S1169-T1177 PolarHBondContact O-N 3.19Å; S1169-H1179 PolarHBondContact OG-CD2 2.85Å; S1169-H1179 PolarHBondContact OG-NE2 2.89Å
1170E73.2Confident76.8Confident114 Ų11440 Ų4053%0.53321%0.209SC..EExtended strand (participates in β ladder)trans53.834.4176.7-59.3177.3172.400114.4N1172 T1177 R1224E1170-N1172 PolarHBondContact O-N 3.27Å; E1170-T1177 PolarHBondContact OE2-OG1 2.77Å; E1170-R1224 IonicContact OE2-NE 3.56Å
1171I76Confident77.7Confident54 Ų5443 Ų4328%0.27723%0.226SC..EExtended strand (participates in β ladder)trans-63.9127.6177.1-53.2171.3000108.7I1168 S1169 F1176 V1256 Y1259I1168-I1171 HydrophobicContact CG2-CD1 3.83Å; I1168-I1171 HydrophobicContact CG2-CG1 3.58Å; S1169-I1171 PolarHBondContact O-N 2.78Å; S1169-I1171 VanDerWaalsContact O-N 3.11Å; I1171-F1176 HydrophobicContact CB-CB 4.31Å; I1171-F1176 HydrophobicContact CG1-CB 3.91Å; I1171-V1256 HydrophobicContact CD1-CG2 4.05Å; I1171-V1256 HydrophobicContact CG1-CG2 4.27Å; I1171-Y1259 HydrophobicContact CB-CE2 4.19Å; I1171-Y1259 HydrophobicContact CG2-CD2 4.25Å; I1171-Y1259 HydrophobicContact CG2-CE2 4.08Å; I1171-Y1259 WeakPolarHBondContact O-CE2 3.39Å
1172N68.6Low78.1Confident17 Ų1739.4 Ų39.49%0.09121%0.21CC..EExtended strand (participates in β ladder)trans-137-172.2172.97134.5000110.6E1170 Y1174 G1175 Y1259 Y1432E1170-N1172 PolarHBondContact O-N 3.27Å; N1172-Y1174 VanDerWaalsContact C-N 3.26Å; N1172-Y1174 PolarHBondContact O-N 2.86Å; N1172-Y1174 PolarHBondContact OD1-N 2.91Å; N1172-G1175 PolarHBondContact N-O 2.88Å; N1172-G1175 PolarHBondContact OD1-N 3.12Å; N1172-G1175 PolarHBondContact OD1-O 2.97Å; N1172-Y1259 PolarHBondContact O-N 2.9Å; N1172-Y1432 PolarHBondContact ND2-OH 2.83Å
1173I70.9Confident77.6Confident14 Ų1439 Ų397%0.07221%0.209CC..THydrogen-bonded Turntrans-66.1-22.4-177.155.7169.2000114.5P1230I1173-P1230 WeakPolarHBondContact O-CA 3.38Å
1174Y77.2Confident76.4Confident64 Ų6443.6 Ų43.625%0.25123%0.233SC..THydrogen-bonded Turntrans-124.79-175.5-61-54.4000113.2N1172 F1226 S1227 L1228 P1230 E1261 K1336N1172-Y1174 VanDerWaalsContact C-N 3.26Å; N1172-Y1174 PolarHBondContact O-N 2.86Å; N1172-Y1174 PolarHBondContact OD1-N 2.91Å; Y1174-F1226 CarbonylContact O-C 3.4Å; Y1174-F1226 VanDerWaalsContact O-C 3.27Å; Y1174-F1226 WeakPolarHBondContact O-CA 3.38Å; Y1174-S1227 PolarHBondContact O-N 2.85Å; Y1174-L1228 PolarHBondContact O-N 2.85Å; Y1174-P1230 HydrophobicContact CD1-CG 3.91Å; Y1174-P1230 HydrophobicContact CE1-CG 3.53Å; Y1174-E1261 PolarHBondContact OH-OE1 3Å; Y1174-K1336 PolarHBondContact OH-NZ 3.04Å
1175G80.9Confident75Confident2 Ų246.3 Ų46.32%0.02124%0.242CC..EExtended strand (participates in β ladder)trans176.2173.4-167.500000114.8N1172 I1225N1172-G1175 PolarHBondContact N-O 2.88Å; N1172-G1175 PolarHBondContact OD1-N 3.12Å; N1172-G1175 PolarHBondContact OD1-O 2.97Å; G1175-I1225 CarbonylContact C-O 3.59Å; G1175-I1225 WeakPolarHBondContact CA-O 3.48Å
1176F86.1Confident72.9Confident1 Ų142.5 Ų42.50%0.00422%0.222CC..EExtended strand (participates in β ladder)trans-161.1159173.853.4-95.7000108.4I1168 I1171 I1225 L1228 V1236 V1256 T1258I1168-F1176 HydrophobicContact CD1-CD2 4.13Å; I1168-F1176 HydrophobicContact CD1-CE2 4.17Å; I1168-F1176 HydrophobicContact CG1-CD2 4.49Å; I1168-F1176 HydrophobicContact CG2-CB 3.83Å; I1168-F1176 HydrophobicContact CG2-CD2 3.94Å; I1168-F1176 HydrophobicContact CG2-CG 4.09Å; I1171-F1176 HydrophobicContact CB-CB 4.31Å; I1171-F1176 HydrophobicContact CG1-CB 3.91Å; F1176-I1225 HydrophobicContact CD2-CD1 3.88Å; F1176-I1225 HydrophobicContact CE2-CD1 3.25Å; F1176-I1225 HydrophobicContact CZ-CD1 3.77Å; F1176-I1225 PolarHBondContact N-O 2.87Å; F1176-I1225 PolarHBondContact O-N 2.79Å; F1176-L1228 HydrophobicContact CD1-CD1 3.77Å; F1176-L1228 HydrophobicContact CE1-CD1 3.19Å; F1176-L1228 HydrophobicContact CZ-CD1 3.92Å; F1176-V1236 HydrophobicContact CE2-CG2 3.7Å; F1176-V1236 HydrophobicContact CZ-CG2 3.54Å; F1176-V1256 HydrophobicContact CB-CG2 4.41Å; F1176-V1256 HydrophobicContact CD1-CB 4.41Å; F1176-V1256 HydrophobicContact CD1-CG1 3.78Å; F1176-V1256 HydrophobicContact CD1-CG2 3.7Å; F1176-V1256 HydrophobicContact CD2-CG1 4.18Å; F1176-V1256 HydrophobicContact CD2-CG2 4.45Å; F1176-V1256 HydrophobicContact CE1-CB 4.31Å; F1176-V1256 HydrophobicContact CE1-CG1 3.26Å; F1176-V1256 HydrophobicContact CE1-CG2 4.07Å; F1176-V1256 HydrophobicContact CE2-CG1 3.72Å; F1176-V1256 HydrophobicContact CG-CG1 4.23Å; F1176-V1256 HydrophobicContact CG-CG2 3.93Å; F1176-V1256 HydrophobicContact CZ-CG1 3.25Å; F1176-T1258 HydrophobicContact CD1-CG2 4.27Å; F1176-T1258 HydrophobicContact CE1-CG2 4.49Å
1177T85.1Confident70.5Confident6 Ų646.9 Ų46.94%0.03724%0.241CC..EExtended strand (participates in β ladder)trans-101.2119.1173.7-60.10000108.8I1168 S1169 E1170 H1179 R1224I1168-T1177 WeakPolarHBondContact CA-O 3.47Å; S1169-T1177 PolarHBondContact N-O 2.7Å; S1169-T1177 PolarHBondContact O-N 3.19Å; E1170-T1177 PolarHBondContact OE2-OG1 2.77Å; T1177-H1179 WeakPolarHBondContact CG2-NE2 3.12Å; T1177-R1224 HydrophobicContact CG2-CB 4.38Å; T1177-R1224 WeakPolarHBondContact OG1-CB 3.43Å; T1177-R1224 VanDerWaalsContact OG1-CG 3.3Å; T1177-R1224 WeakPolarHBondContact OG1-CG 3.34Å
1178V86.2Confident68.1Low0 Ų047.9 Ų47.90%024%0.243CC..EExtended strand (participates in β ladder)trans-91128.4172.155.40000108.5I1168 W1180 V1199 S1222 F1223 I1225 V1236I1168-V1178 HydrophobicContact CG1-CB 4.46Å; I1168-V1178 HydrophobicContact CG1-CG2 4.48Å; V1178-W1180 HydrophobicContact CG1-CE3 4.36Å; V1178-W1180 HydrophobicContact CG1-CZ3 3.97Å; V1178-W1180 HydrophobicContact CG2-CE3 4.27Å; V1178-W1180 WeakPolarHBondContact O-CZ3 3.25Å; V1178-V1199 HydrophobicContact CG1-CG1 4.02Å; V1178-V1199 HydrophobicContact CG1-CG2 4.4Å; V1178-S1222 CarbonylContact O-C 3.59Å; V1178-S1222 WeakPolarHBondContact O-CA 3.48Å; V1178-S1222 WeakPolarHBondContact O-CB 3.21Å; V1178-F1223 HydrophobicContact CG1-CB 4.35Å; V1178-F1223 WeakPolarHBondContact CG1-O 3.28Å; V1178-F1223 PolarHBondContact N-O 2.87Å; V1178-F1223 PolarHBondContact O-N 2.82Å; V1178-I1225 HydrophobicContact CB-CD1 4.49Å; V1178-I1225 HydrophobicContact CG1-CD1 3.72Å; V1178-V1236 HydrophobicContact CB-CG1 4.38Å; V1178-V1236 HydrophobicContact CG1-CG1 4.3Å; V1178-V1236 HydrophobicContact CG2-CG1 4.14Å
1179H85.8Confident65.8Low56 Ų5655.1 Ų55.126%0.25927%0.274SS..EExtended strand (participates in β ladder)trans-109.2143.6174.2-57.5-90.2000108.5L1166 T1167 S1169 T1177 T1221 S1222L1166-H1179 CarbonylContact C-O 3.57Å; L1166-H1179 VanDerWaalsContact CA-O 3.31Å; L1166-H1179 WeakPolarHBondContact CA-O 3.38Å; T1167-H1179 PolarHBondContact N-O 2.81Å; T1167-H1179 PolarHBondContact O-N 3.16Å; S1169-H1179 PolarHBondContact OG-CD2 2.85Å; S1169-H1179 PolarHBondContact OG-NE2 2.89Å; T1177-H1179 WeakPolarHBondContact CG2-NE2 3.12Å; H1179-T1221 WeakPolarHBondContact CA-O 3.37Å; H1179-S1222 VanDerWaalsContact ND1-CB 3.27Å; H1179-S1222 WeakPolarHBondContact ND1-CB 3.24Å
1180W86.3Confident64Low2 Ų258.8 Ų58.81%0.00829%0.29CS..EExtended strand (participates in β ladder)trans-142148.1171.759.187.4000109P1163 L1166 V1178 Y1197 V1199 A1216 A1220 T1221 F1223 V1238P1163-W1180 HydrophobicContact CB-CB 4.41Å; P1163-W1180 HydrophobicContact CB-CG 4.33Å; L1166-W1180 HydrophobicContact CD1-CB 4.39Å; L1166-W1180 HydrophobicContact CG-CB 4.29Å; V1178-W1180 HydrophobicContact CG1-CE3 4.36Å; V1178-W1180 HydrophobicContact CG1-CZ3 3.97Å; V1178-W1180 HydrophobicContact CG2-CE3 4.27Å; V1178-W1180 WeakPolarHBondContact O-CZ3 3.25Å; W1180-Y1197 AromaticContact CE2-CD1 3.91Å; W1180-Y1197 HydrophobicContact CZ2-CD1 4.18Å; W1180-Y1197 AromaticContact CZ2-CG 3.99Å; W1180-Y1197 HydrophobicContact CZ2-CG 3.99Å; W1180-Y1197 AromaticContact NE1-CD1 3.28Å; W1180-Y1197 VanDerWaalsContact NE1-CD1 3.28Å; W1180-Y1197 AromaticContact NE1-CE1 3.53Å; W1180-Y1197 AromaticContact NE1-CG 3.83Å; W1180-V1199 HydrophobicContact CH2-CG2 3.79Å; W1180-V1199 HydrophobicContact CZ3-CG2 3.8Å; W1180-A1216 HydrophobicContact CH2-CB 3.57Å; W1180-A1216 HydrophobicContact CZ2-CB 3.96Å; W1180-A1220 HydrophobicContact CH2-CB 4.31Å; W1180-A1220 HydrophobicContact CZ2-CB 3.87Å; W1180-A1220 WeakPolarHBondContact CZ2-O 3.2Å; W1180-A1220 PolarHBondContact NE1-O 2.85Å; W1180-T1221 PolarHBondContact N-O 2.83Å; W1180-T1221 VanDerWaalsContact O-O 3.07Å; W1180-F1223 HydrophobicContact CH2-CB 3.7Å; W1180-F1223 HydrophobicContact CZ3-CB 3.76Å; W1180-V1238 HydrophobicContact CD2-CG1 3.94Å; W1180-V1238 HydrophobicContact CD2-CG2 4.16Å; W1180-V1238 HydrophobicContact CE3-CG1 4.31Å; W1180-V1238 HydrophobicContact CE3-CG2 3.87Å; W1180-V1238 HydrophobicContact CG-CG1 4.32Å; W1180-V1238 HydrophobicContact CZ2-CG1 4.22Å; W1180-V1238 HydrophobicContact CZ3-CG2 4.33Å
1181D75.9Confident62.3Low87 Ų8761.4 Ų61.447%0.46531%0.307SS..EExtended strand (participates in β ladder)trans-80.7142165.8-65.1-28.4000107.9V1164 N1165 A1183V1164-D1181 HydrophobicContact CG2-CB 4.28Å; V1164-D1181 PolarHBondContact N-O 2.91Å; V1164-D1181 PolarHBondContact O-N 2.82Å; N1165-D1181 HydrophobicContact CB-CB 4.23Å; N1165-D1181 VanDerWaalsContact CB-OD2 3.25Å; N1165-D1181 WeakPolarHBondContact CB-OD2 3.27Å; N1165-D1181 PolarHBondContact ND2-OD2 2.81Å; D1181-A1183 PolarHBondContact O-N 3.34Å
1182N65Low60.9Low28 Ų2863.4 Ų63.415%0.1532%0.319CS..  trans-54.8137.2170.8-70.5-27.7000108.8L1184 N1193 Y1197N1182-L1184 PolarHBondContact O-N 3.27Å; N1182-N1193 PolarHBondContact ND2-ND2 2.78Å; N1182-Y1197 VanDerWaalsContact OD1-CZ 3.25Å; N1182-Y1197 PolarHBondContact OD1-OH 2.81Å
1183A55.2Low60Low20 Ų2064.8 Ų64.817%0.16533%0.326CS..SBendtrans-48.3106.4177.500000108.9Q1161 P1162 D1181 E1185Q1161-A1183 WeakPolarHBondContact O-CB 3.02Å; P1162-A1183 WeakPolarHBondContact O-CB 3.23Å; D1181-A1183 PolarHBondContact O-N 3.34Å; A1183-E1185 PolarHBondContact O-N 2.65Å
1184L48.6Very low59.3Low101 Ų10166.3 Ų66.353%0.52933%0.334SS..  trans0.696.9-171-82.9154.9000113.6N1182 D1186N1182-L1184 PolarHBondContact O-N 3.27Å; L1184-D1186 PolarHBondContact O-N 2.71Å
1185E44.5Very low58.8Low106 Ų10665.2 Ų65.250%0.49533%0.333SS..  trans-57.792.9157.7-87.9-175.7-174.400107.8A1183 H1187A1183-E1185 PolarHBondContact O-N 2.65Å; E1185-H1187 PolarHBondContact O-N 3.44Å; E1185-H1187 IonicContact OE2-ND1 2.81Å
1186D36.1Very low58.6Low31 Ų3169.7 Ų69.717%0.16635%0.35CS..  trans-64.692.2148.4-154.2-17.1000106.1L1100 N1128 L1184 L1188L1100-D1186 HydrophobicContact CD1-CB 3.69Å; L1100-D1186 WeakPolarHBondContact CD1-OD1 3.39Å; L1100-D1186 WeakPolarHBondContact CD1-OD2 3.25Å; L1100-D1186 HydrophobicContact CG-CB 4.23Å; L1100-D1186 VanDerWaalsContact CG-CG 3.41Å; L1100-D1186 WeakPolarHBondContact CG-OD1 3.44Å; N1128-D1186 PolarHBondContact ND2-O 2.84Å; N1128-D1186 VanDerWaalsContact ND2-O 3.08Å; N1128-D1186 PolarHBondContact ND2-OD1 2.91Å; L1184-D1186 PolarHBondContact O-N 2.71Å; D1186-L1188 PolarHBondContact O-N 2.8Å
1187H33.4Very low58.5Low121 Ų12169.9 Ų69.956%0.5635%0.35SS*.SBendtrans-45.6119.6-173.9-68.5-64.2000113N1128 E1185N1128-H1187 PolarHBondContact ND2-O 3.24Å; E1185-H1187 PolarHBondContact O-N 3.44Å; E1185-H1187 IonicContact OE2-ND1 2.81Å
1188L34Very low58.4Low100 Ų10072 Ų7252%0.52436%0.358SS..  148.7123.2127.5-76.7151.4000112.2L1151 D1186L1151-L1188 HydrophobicContact CD1-CD1 3.59Å; L1151-L1188 HydrophobicContact CD2-CB 3.49Å; L1151-L1188 VanDerWaalsContact CD2-CB 3.49Å; L1151-L1188 HydrophobicContact CD2-CD1 3.34Å; L1151-L1188 HydrophobicContact CD2-CG 3.98Å; L1151-L1188 HydrophobicContact CG-CD1 3.99Å; D1186-L1188 PolarHBondContact O-N 2.8Å
1189F34.8Very low58.5Low191 Ų19172 Ų7284%0.83836%0.358SS*.SBendtrans82.972.4169.1-55.9-81.1000119
1190D39.4Very low58.5Low119 Ų11970 Ų7064%0.63635%0.349SS*.  -153.5128.8111.6-154.5-10.5000109.2N1192D1190-N1192 PolarHBondContact O-N 3.16Å; D1190-N1192 VanDerWaalsContact O-N 3.14Å; D1190-N1192 PolarHBondContact OD1-N 3.12Å
1191N38.3Very low58.5Low170 Ų17070 Ų7091%0.90935%0.349SS*.SBendtrans-77.218.4171.1-95.4-16.2000111.6
1192N46.1Very low58.8Low96 Ų9669.3 Ų69.351%0.51334%0.342SS..  trans-119.780.5167.6-72.5-35.8000106.9D1190 N1194D1190-N1192 PolarHBondContact O-N 3.16Å; D1190-N1192 VanDerWaalsContact O-N 3.14Å; D1190-N1192 PolarHBondContact OD1-N 3.12Å; N1192-N1194 HydrophobicContact CB-CB 4.29Å; N1192-N1194 PolarHBondContact O-N 2.88Å
1193N49.6Very low59.5Low45 Ų4569.7 Ų69.724%0.24135%0.345CS..  trans-7148.1170.3-160.54.8000110N1182 N1195 S1219N1182-N1193 PolarHBondContact ND2-ND2 2.78Å; N1193-N1195 PolarHBondContact O-N 3.41Å; N1193-S1219 VanDerWaalsContact C-OG 3.31Å; N1193-S1219 WeakPolarHBondContact O-CA 3.45Å; N1193-S1219 VanDerWaalsContact O-CB 3.29Å; N1193-S1219 WeakPolarHBondContact O-CB 3.25Å; N1193-S1219 PolarHBondContact O-N 2.82Å; N1193-S1219 PolarHBondContact O-OG 3.45Å
1194N56.6Low60.5Low46 Ų4672.6 Ų72.625%0.24636%0.358CS..  trans-80.121.5-162.6-87.94.1000112.6N1192 Q1218 T1243N1192-N1194 HydrophobicContact CB-CB 4.29Å; N1192-N1194 PolarHBondContact O-N 2.88Å; N1194-Q1218 VanDerWaalsContact CA-CG 3.42Å; N1194-Q1218 VanDerWaalsContact CA-NE2 3.28Å; N1194-Q1218 HydrophobicContact CB-CG 4.1Å; N1194-Q1218 PolarHBondContact O-NE2 2.71Å; N1194-Q1218 PolarHBondContact OD1-NE2 3.17Å; N1194-Q1218 PolarHBondContact OD1-OE1 2.91Å; N1194-T1243 HydrophobicContact CB-CG2 3.27Å; N1194-T1243 WeakPolarHBondContact O-CG2 3.41Å
1195N66.1Low61.3Low41 Ų4175.4 Ų75.422%0.21937%0.368CS..PPolyproline II helixtrans-70.3131.1176-60.1-28.1000109.2N1193 Y1197 Q1218 S1219 I1241 D1242N1193-N1195 PolarHBondContact O-N 3.41Å; N1195-Y1197 HydrophobicContact CB-CE2 3.85Å; N1195-Y1197 WeakPolarHBondContact O-CD2 3.45Å; N1195-Y1197 WeakPolarHBondContact O-CE2 3.38Å; N1195-Q1218 WeakPolarHBondContact O-CA 3.48Å; N1195-S1219 PolarHBondContact O-N 2.93Å; N1195-I1241 CarbonylContact C-O 3.59Å; N1195-I1241 WeakPolarHBondContact CA-O 3.35Å; N1195-D1242 WeakPolarHBondContact OD1-CA 3.06Å
1196Y77Confident61.9Low97 Ų9775.4 Ų75.438%0.3837%0.371SS..EExtended strand (participates in β ladder)trans-86.2126.7172.9-81.3-92.4000109.1Q1218 C1240 I1241Y1196-Q1218 HydrophobicContact CE1-CB 4.37Å; Y1196-C1240 CarbonylContact O-C 3.5Å; Y1196-C1240 WeakPolarHBondContact O-CA 3.47Å; Y1196-I1241 PolarHBondContact N-O 3.16Å; Y1196-I1241 PolarHBondContact O-N 3.39Å
1197Y84.1Confident62.6Low4 Ų483 Ų832%0.01641%0.405CS..EExtended strand (participates in β ladder)trans-100.5137176.9-67.8-96.8000110.2P1163 W1180 N1182 N1195 N1215 A1216 G1217 A1220 V1238 Q1239 C1240P1163-Y1197 HydrophobicContact CG-CD1 4.16Å; P1163-Y1197 HydrophobicContact CG-CE1 4.08Å; W1180-Y1197 AromaticContact CE2-CD1 3.91Å; W1180-Y1197 HydrophobicContact CZ2-CD1 4.18Å; W1180-Y1197 AromaticContact CZ2-CG 3.99Å; W1180-Y1197 HydrophobicContact CZ2-CG 3.99Å; W1180-Y1197 AromaticContact NE1-CD1 3.28Å; W1180-Y1197 VanDerWaalsContact NE1-CD1 3.28Å; W1180-Y1197 AromaticContact NE1-CE1 3.53Å; W1180-Y1197 AromaticContact NE1-CG 3.83Å; N1182-Y1197 VanDerWaalsContact OD1-CZ 3.25Å; N1182-Y1197 PolarHBondContact OD1-OH 2.81Å; N1195-Y1197 HydrophobicContact CB-CE2 3.85Å; N1195-Y1197 WeakPolarHBondContact O-CD2 3.45Å; N1195-Y1197 WeakPolarHBondContact O-CE2 3.38Å; Y1197-N1215 PolarHBondContact O-OD1 3.14Å; Y1197-A1216 PolarHBondContact O-N 3.02Å; Y1197-G1217 PolarHBondContact N-O 3.02Å; Y1197-G1217 VanDerWaalsContact N-O 3.13Å; Y1197-A1220 WeakPolarHBondContact CD2-O 3.09Å; Y1197-V1238 HydrophobicContact CD1-CG1 4.19Å; Y1197-Q1239 WeakPolarHBondContact CA-O 3.44Å; Y1197-C1240 HydrophobicContact CD1-CB 3.85Å; Y1197-C1240 HydrophobicContact CE1-CB 3.65Å
1198Y84.4Confident63.6Low52 Ų5282.1 Ų82.120%0.20441%0.409CS..EExtended strand (participates in β ladder)trans-121125.5175.2-69.4-86.5000110Q1213 F1214 N1215 V1238 Q1239 I1241Y1198-Q1213 HydrophobicContact CD1-CG 3.74Å; Y1198-Q1213 HydrophobicContact CG-CG 4.3Å; Y1198-F1214 CarbonylContact C-O 3.5Å; Y1198-F1214 VanDerWaalsContact CA-O 3.24Å; Y1198-F1214 WeakPolarHBondContact CA-O 3.4Å; Y1198-N1215 HydrophobicContact CD1-CB 4.02Å; Y1198-N1215 HydrophobicContact CE1-CB 3.73Å; Y1198-V1238 WeakPolarHBondContact O-CA 3.5Å; Y1198-Q1239 PolarHBondContact N-O 3Å; Y1198-Q1239 PolarHBondContact O-N 3.04Å; Y1198-I1241 HydrophobicContact CD2-CD1 3.8Å; Y1198-I1241 HydrophobicContact CD2-CG1 4.06Å; Y1198-I1241 HydrophobicContact CE2-CD1 3.47Å; Y1198-I1241 VanDerWaalsContact CE2-CD1 3.47Å; Y1198-I1241 HydrophobicContact CE2-CG1 4.02Å
1199V86.5Confident64.6Low0 Ų085.3 Ų85.30%043%0.426CS..EExtended strand (participates in β ladder)trans-98126.6176.6-177.70000108.5V1178 W1180 I1201 Q1213 F1214 A1216 F1223 I1225 V1236 V1238V1178-V1199 HydrophobicContact CG1-CG1 4.02Å; V1178-V1199 HydrophobicContact CG1-CG2 4.4Å; W1180-V1199 HydrophobicContact CH2-CG2 3.79Å; W1180-V1199 HydrophobicContact CZ3-CG2 3.8Å; V1199-I1201 HydrophobicContact CG1-CD1 4.37Å; V1199-I1201 HydrophobicContact CG1-CG1 4.06Å; V1199-Q1213 CarbonylContact O-C 3.51Å; V1199-Q1213 WeakPolarHBondContact O-CA 3.43Å; V1199-F1214 HydrophobicContact CB-CB 4.39Å; V1199-F1214 PolarHBondContact N-O 2.75Å; V1199-F1214 PolarHBondContact O-N 2.7Å; V1199-A1216 HydrophobicContact CG2-CB 4.09Å; V1199-F1223 HydrophobicContact CB-CD1 4.37Å; V1199-F1223 HydrophobicContact CG2-CB 3.93Å; V1199-F1223 HydrophobicContact CG2-CD1 4.13Å; V1199-F1223 HydrophobicContact CG2-CG 4.19Å; V1199-I1225 HydrophobicContact CG1-CD1 4.33Å; V1199-V1236 HydrophobicContact CG1-CG1 3.83Å; V1199-V1238 HydrophobicContact CG2-CG1 4.47Å; V1199-V1238 HydrophobicContact CG2-CG2 4.19Å
1200F86.5Confident65.8Low14 Ų1484.8 Ų84.86%0.06142%0.424CS..EExtended strand (participates in β ladder)trans-108.8126.9178.3-65.9-89.8000109.6P1211 I1212 Q1213 V1236 S1237 Q1239 K1250F1200-P1211 HydrophobicContact CB-CB 4.25Å; F1200-P1211 HydrophobicContact CD1-CB 4.35Å; F1200-P1211 HydrophobicContact CD1-CG 4.34Å; F1200-I1212 WeakPolarHBondContact CA-O 3.1Å; F1200-Q1213 HydrophobicContact CD1-CB 3.94Å; F1200-Q1213 HydrophobicContact CD1-CG 4.16Å; F1200-Q1213 HydrophobicContact CE1-CB 3.74Å; F1200-Q1213 HydrophobicContact CE1-CG 3.61Å; F1200-Q1213 HydrophobicContact CZ-CB 4.48Å; F1200-Q1213 HydrophobicContact CZ-CG 3.86Å; F1200-V1236 WeakPolarHBondContact O-CA 3.16Å; F1200-S1237 PolarHBondContact N-O 2.82Å; F1200-S1237 PolarHBondContact O-N 3.02Å; F1200-Q1239 HydrophobicContact CD2-CB 4.37Å; F1200-Q1239 HydrophobicContact CE2-CB 3.68Å; F1200-K1250 VanDerWaalsContact CD1-NZ 3.29Å; F1200-K1250 HydrophobicContact CD2-CD 4.1Å; F1200-K1250 HydrophobicContact CD2-CG 4.47Å; F1200-K1250 HydrophobicContact CE2-CD 4.37Å; F1200-K1250 HydrophobicContact CE2-CG 4.48Å; F1200-K1250 HydrophobicContact CG-CD 4.36Å
1201I86.4Confident67.2Low1 Ų181.7 Ų81.71%0.00541%0.41CS..EExtended strand (participates in β ladder)trans-125.8131-177.9-55.5-179.5000109.6V1199 P1211 I1212 F1214 I1225 Y1234 S1235 V1236V1199-I1201 HydrophobicContact CG1-CD1 4.37Å; V1199-I1201 HydrophobicContact CG1-CG1 4.06Å; I1201-P1211 CarbonylContact O-C 3.54Å; I1201-P1211 WeakPolarHBondContact O-CA 3.32Å; I1201-I1212 PolarHBondContact N-O 3.2Å; I1201-I1212 PolarHBondContact O-N 3.33Å; I1201-F1214 HydrophobicContact CB-CE2 4.37Å; I1201-F1214 HydrophobicContact CD1-CD2 3.86Å; I1201-F1214 HydrophobicContact CD1-CE2 3.64Å; I1201-F1214 HydrophobicContact CG1-CD2 4.21Å; I1201-F1214 HydrophobicContact CG1-CE2 4.15Å; I1201-I1225 HydrophobicContact CD1-CB 4.11Å; I1201-I1225 HydrophobicContact CD1-CD1 3.29Å; I1201-I1225 HydrophobicContact CD1-CG1 3.56Å; I1201-I1225 HydrophobicContact CD1-CG2 3.52Å; I1201-I1225 HydrophobicContact CG1-CD1 4.3Å; I1201-Y1234 HydrophobicContact CG2-CD1 3.47Å; I1201-Y1234 VanDerWaalsContact CG2-CD1 3.47Å; I1201-Y1234 HydrophobicContact CG2-CE1 4.22Å; I1201-Y1234 HydrophobicContact CG2-CG 4.08Å; I1201-S1235 WeakPolarHBondContact CA-O 3.4Å; I1201-V1236 HydrophobicContact CG1-CG1 4.44Å; I1201-V1236 HydrophobicContact CG1-CG2 4.43Å
1202K82Confident69Low73 Ų7377.9 Ų77.932%0.31739%0.389SS..EExtended strand (participates in β ladder)trans-130.8130.4172.967.8-176-173.6-167.70111P1211 Y1234 S1235 E1253K1202-P1211 HydrophobicContact CB-CB 4.31Å; K1202-Y1234 CarbonylContact O-C 3.59Å; K1202-Y1234 WeakPolarHBondContact O-CA 3.31Å; K1202-S1235 VanDerWaalsContact CE-CB 3.43Å; K1202-S1235 VanDerWaalsContact CE-OG 3.26Å; K1202-S1235 WeakPolarHBondContact CE-OG 3.45Å; K1202-S1235 PolarHBondContact N-O 2.94Å; K1202-S1235 PolarHBondContact O-N 2.86Å; K1202-E1253 WeakPolarHBondContact CE-OE1 3.41Å; K1202-E1253 WeakPolarHBondContact CE-OE2 3.24Å; K1202-E1253 IonicContact NZ-OE1 3.96Å; K1202-E1253 PolarHBondContact NZ-OE1 2.85Å; K1202-E1253 IonicContact NZ-OE2 3.16Å; K1202-E1253 PolarHBondContact NZ-OE2 2.76Å
1203P80.2Confident70.7Confident35 Ų3578.2 Ų78.223%0.22739%0.387CS..EExtended strand (participates in β ladder)trans-69.8136.7168.927.3-30.8000110H1205 N1206 T1232 W1233 Y1234P1203-H1205 VanDerWaalsContact C-N 3.34Å; P1203-H1205 PolarHBondContact O-N 2.65Å; P1203-N1206 HydrophobicContact CG-CB 4.22Å; P1203-T1232 HydrophobicContact CB-CG2 4.17Å; P1203-W1233 WeakPolarHBondContact CA-O 3.2Å; P1203-Y1234 HydrophobicContact CB-CD1 4.03Å; P1203-Y1234 HydrophobicContact CB-CE1 3.75Å; P1203-Y1234 HydrophobicContact CG-CE1 4.35Å
1204L75.1Confident72.2Confident82 Ų8279 Ų7943%0.42939%0.388SS..THydrogen-bonded Turntrans-71.7-24.2-175.9-95.2152.8000114W1233 F1255L1204-W1233 HydrophobicContact CB-CB 4.08Å; L1204-W1233 HydrophobicContact CD1-CB 3.59Å; L1204-W1233 HydrophobicContact CD1-CG 4.47Å; L1204-W1233 HydrophobicContact CG-CB 4.46Å; L1204-W1233 PolarHBondContact N-O 2.9Å; L1204-F1255 HydrophobicContact CD1-CD1 3.46Å; L1204-F1255 VanDerWaalsContact CD1-CD1 3.46Å; L1204-F1255 HydrophobicContact CD1-CE1 3.84Å; L1204-F1255 HydrophobicContact CD1-CG 4.47Å; L1204-F1255 HydrophobicContact CD2-CE1 4.07Å; L1204-F1255 HydrophobicContact CG-CD1 4.31Å; L1204-F1255 HydrophobicContact CG-CE1 4.27Å
1205H65.8Low73.4Confident159 Ų15980.4 Ų80.474%0.73640%0.396SS*.THydrogen-bonded Turntrans-114.615.4-168.1-71.783.7000115P1203P1203-H1205 VanDerWaalsContact C-N 3.34Å; P1203-H1205 PolarHBondContact O-N 2.65Å
1206N56.4Low74.1Confident107 Ų10779.4 Ų79.457%0.57239%0.393SS*.  trans-125.4131-179.4-153.6-4000112.5P1203 T1208P1203-N1206 HydrophobicContact CG-CB 4.22Å; N1206-T1208 PolarHBondContact O-N 3.19Å
1207H52.1Low73.9Confident189 Ų18975.8 Ų75.888%0.87539%0.386SS*.SBendtrans-74.312.9-166.8-71.4-69.4000116.3N1209H1207-N1209 PolarHBondContact O-N 3.19Å
1208T55.2Low73.5Confident104 Ų10479.5 Ų79.564%0.63840%0.403SS*.  trans-95.693.3172.155.60000109.9N1206 K1210N1206-T1208 PolarHBondContact O-N 3.19Å; T1208-K1210 PolarHBondContact O-N 3.05Å
1209N53.4Low72.8Confident166 Ų16679.1 Ų79.189%0.88841%0.409SS*.  trans-67.122.3-171.1-111.3-1.5000116.7H1207H1207-N1209 PolarHBondContact O-N 3.19Å
1210K59.9Low72.3Confident181 Ų18179.9 Ų79.979%0.78741%0.414SS*.  trans-104.6114.9177.7-90.7-172.3174.6-177.50111.1T1208T1208-K1210 PolarHBondContact O-N 3.05Å
1211P68.7Low72.1Confident53 Ų5382.6 Ų82.634%0.34443%0.433SS..PPolyproline II helixtrans-64.4136.917225.5-31.4000110.3F1200 I1201 K1202F1200-P1211 HydrophobicContact CB-CB 4.25Å; F1200-P1211 HydrophobicContact CD1-CB 4.35Å; F1200-P1211 HydrophobicContact CD1-CG 4.34Å; I1201-P1211 CarbonylContact O-C 3.54Å; I1201-P1211 WeakPolarHBondContact O-CA 3.32Å; K1202-P1211 HydrophobicContact CB-CB 4.31Å
1212I77.3Confident72Confident90 Ų9084.9 Ų84.946%0.46245%0.449SS..EExtended strand (participates in β ladder)trans-77.2123.5174.3-54173.7000107.4F1200 I1201 F1214F1200-I1212 WeakPolarHBondContact CA-O 3.1Å; I1201-I1212 PolarHBondContact N-O 3.2Å; I1201-I1212 PolarHBondContact O-N 3.33Å; I1212-F1214 HydrophobicContact CB-CE2 3.94Å; I1212-F1214 HydrophobicContact CB-CZ 4.4Å; I1212-F1214 HydrophobicContact CG2-CD2 4.17Å; I1212-F1214 HydrophobicContact CG2-CE1 4.29Å; I1212-F1214 HydrophobicContact CG2-CE2 3.43Å; I1212-F1214 VanDerWaalsContact CG2-CE2 3.43Å; I1212-F1214 HydrophobicContact CG2-CZ 3.51Å
1213Q82.2Confident72.1Confident104 Ų10483.5 Ų83.549%0.48644%0.443SS..EExtended strand (participates in β ladder)trans-99.3122.8-179.1-179.5179.8-8.200110Y1198 V1199 F1200Y1198-Q1213 HydrophobicContact CD1-CG 3.74Å; Y1198-Q1213 HydrophobicContact CG-CG 4.3Å; V1199-Q1213 CarbonylContact O-C 3.51Å; V1199-Q1213 WeakPolarHBondContact O-CA 3.43Å; F1200-Q1213 HydrophobicContact CD1-CB 3.94Å; F1200-Q1213 HydrophobicContact CD1-CG 4.16Å; F1200-Q1213 HydrophobicContact CE1-CB 3.74Å; F1200-Q1213 HydrophobicContact CE1-CG 3.61Å; F1200-Q1213 HydrophobicContact CZ-CB 4.48Å; F1200-Q1213 HydrophobicContact CZ-CG 3.86Å
1214F81Confident72.3Confident60 Ų6087 Ų8726%0.26345%0.451SS..EExtended strand (participates in β ladder)trans-109.6132.6174.2-63.2-86.8000109.5Y1198 V1199 I1201 I1212 A1216 F1223Y1198-F1214 CarbonylContact C-O 3.5Å; Y1198-F1214 VanDerWaalsContact CA-O 3.24Å; Y1198-F1214 WeakPolarHBondContact CA-O 3.4Å; V1199-F1214 HydrophobicContact CB-CB 4.39Å; V1199-F1214 PolarHBondContact N-O 2.75Å; V1199-F1214 PolarHBondContact O-N 2.7Å; I1201-F1214 HydrophobicContact CB-CE2 4.37Å; I1201-F1214 HydrophobicContact CD1-CD2 3.86Å; I1201-F1214 HydrophobicContact CD1-CE2 3.64Å; I1201-F1214 HydrophobicContact CG1-CD2 4.21Å; I1201-F1214 HydrophobicContact CG1-CE2 4.15Å; I1212-F1214 HydrophobicContact CB-CE2 3.94Å; I1212-F1214 HydrophobicContact CB-CZ 4.4Å; I1212-F1214 HydrophobicContact CG2-CD2 4.17Å; I1212-F1214 HydrophobicContact CG2-CE1 4.29Å; I1212-F1214 HydrophobicContact CG2-CE2 3.43Å; I1212-F1214 VanDerWaalsContact CG2-CE2 3.43Å; I1212-F1214 HydrophobicContact CG2-CZ 3.51Å; F1214-A1216 PolarHBondContact O-N 2.82Å; F1214-F1223 HydrophobicContact CB-CD1 4.25Å; F1214-F1223 HydrophobicContact CB-CE1 3.44Å; F1214-F1223 VanDerWaalsContact CB-CE1 3.44Å; F1214-F1223 HydrophobicContact CB-CZ 3.69Å; F1214-F1223 HydrophobicContact CD1-CE1 4.02Å; F1214-F1223 HydrophobicContact CD1-CZ 4.17Å; F1214-F1223 HydrophobicContact CD2-CE1 4.5Å; F1214-F1223 AromaticContact CG-CE1 3.75Å; F1214-F1223 HydrophobicContact CG-CE1 3.75Å; F1214-F1223 HydrophobicContact CG-CZ 4.19Å
1215N82.1Confident72.6Confident77 Ų7783.2 Ų83.241%0.41243%0.431SS..EExtended strand (participates in β ladder)trans-81.7108.6170.1-174.2-3.1000107.9Y1197 Y1198 G1217Y1197-N1215 PolarHBondContact O-OD1 3.14Å; Y1198-N1215 HydrophobicContact CD1-CB 4.02Å; Y1198-N1215 HydrophobicContact CE1-CB 3.73Å; N1215-G1217 PolarHBondContact O-N 2.95Å; N1215-G1217 WeakPolarHBondContact OD1-CA 3.3Å; N1215-G1217 PolarHBondContact OD1-N 3.45Å
1216A79.1Confident73.2Confident19 Ų1982.7 Ų82.716%0.15743%0.427CS..EExtended strand (participates in β ladder)trans-74-13.6176.900000112.8W1180 Y1197 V1199 F1214 A1220 F1223W1180-A1216 HydrophobicContact CH2-CB 3.57Å; W1180-A1216 HydrophobicContact CZ2-CB 3.96Å; Y1197-A1216 PolarHBondContact O-N 3.02Å; V1199-A1216 HydrophobicContact CG2-CB 4.09Å; F1214-A1216 PolarHBondContact O-N 2.82Å; A1216-A1220 HydrophobicContact CB-CB 3.74Å; A1216-A1220 VanDerWaalsContact O-CB 3.25Å; A1216-A1220 WeakPolarHBondContact O-CB 3.39Å; A1216-F1223 VanDerWaalsContact CA-CD2 3.47Å; A1216-F1223 HydrophobicContact CB-CB 3.94Å; A1216-F1223 HydrophobicContact CB-CD2 3.67Å; A1216-F1223 HydrophobicContact CB-CE2 4.41Å; A1216-F1223 HydrophobicContact CB-CG 3.96Å
1217G74.3Confident74.2Confident22 Ų2282.5 Ų82.523%0.22744%0.435CS..EExtended strand (participates in β ladder)trans97.3-178179.700000112.6Y1197 N1215Y1197-G1217 PolarHBondContact N-O 3.02Å; Y1197-G1217 VanDerWaalsContact N-O 3.13Å; N1215-G1217 PolarHBondContact O-N 2.95Å; N1215-G1217 WeakPolarHBondContact OD1-CA 3.3Å; N1215-G1217 PolarHBondContact OD1-N 3.45Å
1218Q74.3Confident75.6Confident81 Ų8174.3 Ų74.338%0.37940%0.397SS..EExtended strand (participates in β ladder)trans-75.9132.4-178.6-170.8162.654.400110N1194 N1195 Y1196 A1220N1194-Q1218 VanDerWaalsContact CA-CG 3.42Å; N1194-Q1218 VanDerWaalsContact CA-NE2 3.28Å; N1194-Q1218 HydrophobicContact CB-CG 4.1Å; N1194-Q1218 PolarHBondContact O-NE2 2.71Å; N1194-Q1218 PolarHBondContact OD1-NE2 3.17Å; N1194-Q1218 PolarHBondContact OD1-OE1 2.91Å; N1195-Q1218 WeakPolarHBondContact O-CA 3.48Å; Y1196-Q1218 HydrophobicContact CE1-CB 4.37Å; Q1218-A1220 PolarHBondContact O-N 2.97Å; Q1218-A1220 VanDerWaalsContact O-N 3.1Å
1219S71Confident76.7Confident45 Ų4572.4 Ų72.432%0.31539%0.388SS..THydrogen-bonded Turntrans60.116.5179.6-370000115.5N1193 N1195 T1221N1193-S1219 VanDerWaalsContact C-OG 3.31Å; N1193-S1219 WeakPolarHBondContact O-CA 3.45Å; N1193-S1219 VanDerWaalsContact O-CB 3.29Å; N1193-S1219 WeakPolarHBondContact O-CB 3.25Å; N1193-S1219 PolarHBondContact O-N 2.82Å; N1193-S1219 PolarHBondContact O-OG 3.45Å; N1195-S1219 PolarHBondContact O-N 2.93Å; S1219-T1221 PolarHBondContact O-N 2.82Å
1220A75.3Confident77.7Confident15 Ų1566.5 Ų66.512%0.12436%0.359CS..  trans-66.2132.1-178.500000110.9W1180 Y1197 A1216 Q1218W1180-A1220 HydrophobicContact CH2-CB 4.31Å; W1180-A1220 HydrophobicContact CZ2-CB 3.87Å; W1180-A1220 WeakPolarHBondContact CZ2-O 3.2Å; W1180-A1220 PolarHBondContact NE1-O 2.85Å; Y1197-A1220 WeakPolarHBondContact CD2-O 3.09Å; A1216-A1220 HydrophobicContact CB-CB 3.74Å; A1216-A1220 VanDerWaalsContact O-CB 3.25Å; A1216-A1220 WeakPolarHBondContact O-CB 3.39Å; Q1218-A1220 PolarHBondContact O-N 2.97Å; Q1218-A1220 VanDerWaalsContact O-N 3.1Å
1221T82.2Confident78.5Confident72 Ų7262.2 Ų62.244%0.44234%0.344SS..SBendtrans-110.7-3172.7540000112.4H1179 W1180 S1219H1179-T1221 WeakPolarHBondContact CA-O 3.37Å; W1180-T1221 PolarHBondContact N-O 2.83Å; W1180-T1221 VanDerWaalsContact O-O 3.07Å; S1219-T1221 PolarHBondContact O-N 2.82Å
1222S83.8Confident78.9Confident49 Ų4961.2 Ų61.234%0.34334%0.337SS..EExtended strand (participates in β ladder)trans-154.3156.9172.561.70000110.4V1178 H1179V1178-S1222 CarbonylContact O-C 3.59Å; V1178-S1222 WeakPolarHBondContact O-CA 3.48Å; V1178-S1222 WeakPolarHBondContact O-CB 3.21Å; H1179-S1222 VanDerWaalsContact ND1-CB 3.27Å; H1179-S1222 WeakPolarHBondContact ND1-CB 3.24Å
1223F85Confident79.1Confident43 Ų4362.4 Ų62.419%0.18934%0.336CS..EExtended strand (participates in β ladder)trans-145.4121.5174.7-172.1-105.9000110V1178 W1180 V1199 F1214 A1216 I1225V1178-F1223 HydrophobicContact CG1-CB 4.35Å; V1178-F1223 WeakPolarHBondContact CG1-O 3.28Å; V1178-F1223 PolarHBondContact N-O 2.87Å; V1178-F1223 PolarHBondContact O-N 2.82Å; W1180-F1223 HydrophobicContact CH2-CB 3.7Å; W1180-F1223 HydrophobicContact CZ3-CB 3.76Å; V1199-F1223 HydrophobicContact CB-CD1 4.37Å; V1199-F1223 HydrophobicContact CG2-CB 3.93Å; V1199-F1223 HydrophobicContact CG2-CD1 4.13Å; V1199-F1223 HydrophobicContact CG2-CG 4.19Å; F1214-F1223 HydrophobicContact CB-CD1 4.25Å; F1214-F1223 HydrophobicContact CB-CE1 3.44Å; F1214-F1223 VanDerWaalsContact CB-CE1 3.44Å; F1214-F1223 HydrophobicContact CB-CZ 3.69Å; F1214-F1223 HydrophobicContact CD1-CE1 4.02Å; F1214-F1223 HydrophobicContact CD1-CZ 4.17Å; F1214-F1223 HydrophobicContact CD2-CE1 4.5Å; F1214-F1223 AromaticContact CG-CE1 3.75Å; F1214-F1223 HydrophobicContact CG-CE1 3.75Å; F1214-F1223 HydrophobicContact CG-CZ 4.19Å; A1216-F1223 VanDerWaalsContact CA-CD2 3.47Å; A1216-F1223 HydrophobicContact CB-CB 3.94Å; A1216-F1223 HydrophobicContact CB-CD2 3.67Å; A1216-F1223 HydrophobicContact CB-CE2 4.41Å; A1216-F1223 HydrophobicContact CB-CG 3.96Å; F1223-I1225 HydrophobicContact CD1-CG1 3.65Å; F1223-I1225 HydrophobicContact CE1-CG1 3.97Å
1224R83.3Confident79.3Confident108 Ų10858.1 Ų58.141%0.40832%0.316SS..EExtended strand (participates in β ladder)trans-83118.7175.9-172.8166.7-170.6-152.90.3109.4E1170 T1177 E1431E1170-R1224 IonicContact OE2-NE 3.56Å; T1177-R1224 HydrophobicContact CG2-CB 4.38Å; T1177-R1224 WeakPolarHBondContact OG1-CB 3.43Å; T1177-R1224 VanDerWaalsContact OG1-CG 3.3Å; T1177-R1224 WeakPolarHBondContact OG1-CG 3.34Å; R1224-E1431 IonicContact NH2-OE1 3.39Å; R1224-E1431 PolarHBondContact NH2-OE1 2.96Å; R1224-E1431 IonicContact NH2-OE2 2.74Å
1225I82.8Confident79.5Confident3 Ų355.3 Ų55.32%0.01530%0.304CS..EExtended strand (participates in β ladder)trans-101.3131.8179.1-57.3143.4000107.4G1175 F1176 V1178 V1199 I1201 F1223 L1228G1175-I1225 CarbonylContact C-O 3.59Å; G1175-I1225 WeakPolarHBondContact CA-O 3.48Å; F1176-I1225 HydrophobicContact CD2-CD1 3.88Å; F1176-I1225 HydrophobicContact CE2-CD1 3.25Å; F1176-I1225 HydrophobicContact CZ-CD1 3.77Å; F1176-I1225 PolarHBondContact N-O 2.87Å; F1176-I1225 PolarHBondContact O-N 2.79Å; V1178-I1225 HydrophobicContact CB-CD1 4.49Å; V1178-I1225 HydrophobicContact CG1-CD1 3.72Å; V1199-I1225 HydrophobicContact CG1-CD1 4.33Å; I1201-I1225 HydrophobicContact CD1-CB 4.11Å; I1201-I1225 HydrophobicContact CD1-CD1 3.29Å; I1201-I1225 HydrophobicContact CD1-CG1 3.56Å; I1201-I1225 HydrophobicContact CD1-CG2 3.52Å; I1201-I1225 HydrophobicContact CG1-CD1 4.3Å; F1223-I1225 HydrophobicContact CD1-CG1 3.65Å; F1223-I1225 HydrophobicContact CE1-CG1 3.97Å; I1225-L1228 HydrophobicContact CG2-CD1 3.79Å; I1225-L1228 HydrophobicContact CG2-CD2 3.81Å; I1225-L1228 HydrophobicContact CG2-CG 3.8Å
1226F78Confident79.8Confident149 Ų14951.7 Ų51.765%0.65428%0.284SS*.  trans-133.8166.6179.752.8-88.4000110.1Y1174Y1174-F1226 CarbonylContact O-C 3.4Å; Y1174-F1226 VanDerWaalsContact O-C 3.27Å; Y1174-F1226 WeakPolarHBondContact O-CA 3.38Å
1227S77.9Confident80.2Confident103 Ų10351 Ų5172%0.7228%0.278SS*.SBendtrans65.731.5-177.1-53.20000115.6Y1174Y1174-S1227 PolarHBondContact O-N 2.85Å
1228L81Confident80.8Confident16 Ų1650 Ų508%0.08427%0.267CS..PPolyproline II helixtrans-79.9159169.2-60.4-177.1000111.5Y1174 F1176 I1225 Y1234 T1258Y1174-L1228 PolarHBondContact O-N 2.85Å; F1176-L1228 HydrophobicContact CD1-CD1 3.77Å; F1176-L1228 HydrophobicContact CE1-CD1 3.19Å; F1176-L1228 HydrophobicContact CZ-CD1 3.92Å; I1225-L1228 HydrophobicContact CG2-CD1 3.79Å; I1225-L1228 HydrophobicContact CG2-CD2 3.81Å; I1225-L1228 HydrophobicContact CG2-CG 3.8Å; L1228-Y1234 HydrophobicContact CB-CE2 3.81Å; L1228-Y1234 HydrophobicContact CD1-CD2 4.05Å; L1228-Y1234 HydrophobicContact CD1-CE2 3.99Å; L1228-Y1234 HydrophobicContact CD1-CG 4.47Å; L1228-Y1234 HydrophobicContact CD2-CE1 4.02Å; L1228-Y1234 HydrophobicContact CD2-CE2 4.4Å; L1228-Y1234 HydrophobicContact CG-CE2 4.29Å; L1228-T1258 HydrophobicContact CB-CG2 3.96Å; L1228-T1258 HydrophobicContact CD1-CG2 3.95Å
1229S77.9Confident81.3Confident65 Ų6547.5 Ų47.546%0.45526%0.256SS..PPolyproline II helixtrans-68.5133.7173.6-63.30000109.9T1232 Y1234 T1258S1229-T1232 VanDerWaalsContact CB-OG1 3.3Å; S1229-T1232 WeakPolarHBondContact CB-OG1 3.36Å; S1229-T1232 WeakPolarHBondContact O-CB 3.39Å; S1229-T1232 PolarHBondContact O-OG1 2.91Å; S1229-Y1234 WeakPolarHBondContact CB-OH 3.49Å; S1229-Y1234 PolarHBondContact N-OH 2.95Å; S1229-T1258 PolarHBondContact O-OG1 3.4Å
1230P73.7Confident81.7Confident41 Ų4145.5 Ų45.527%0.26624%0.242SC..THydrogen-bonded Turntrans-58.6155170.5-23.233.6000112I1173 Y1174 T1232 E1261I1173-P1230 WeakPolarHBondContact O-CA 3.38Å; Y1174-P1230 HydrophobicContact CD1-CG 3.91Å; Y1174-P1230 HydrophobicContact CE1-CG 3.53Å; P1230-T1232 PolarHBondContact O-N 2.84Å; P1230-T1232 VanDerWaalsContact O-N 3.15Å; P1230-T1232 PolarHBondContact O-OG1 2.91Å; P1230-E1261 HydrophobicContact CB-CG 4.07Å; P1230-E1261 HydrophobicContact CG-CG 3.95Å
1231D77.4Confident81.7Confident91 Ų9146.1 Ų46.149%0.48724%0.243SC..THydrogen-bonded Turntrans5236.8174.9-148.223.6000114.2H1257 T1258 Y1259 S1260D1231-H1257 VanDerWaalsContact C-NE2 3.35Å; D1231-H1257 IonicContact OD1-CE1 2.76Å; D1231-H1257 PolarHBondContact OD1-CE1 3.09Å; D1231-H1257 IonicContact OD1-NE2 3.89Å; D1231-H1257 PolarHBondContact OD1-NE2 2.86Å; D1231-T1258 PolarHBondContact N-O 3.49Å; D1231-T1258 PolarHBondContact N-OG1 3.47Å; D1231-Y1259 PolarHBondContact N-O 3.09Å; D1231-S1260 VanDerWaalsContact CG-CB 3.45Å; D1231-S1260 WeakPolarHBondContact OD1-CB 3.34Å; D1231-S1260 PolarHBondContact OD2-OG 2.84Å
1232T77.9Confident81Confident33 Ų3343.4 Ų43.420%0.20223%0.226CC..  trans-125.2129.7-172.5-58.80000110.3P1203 S1229 P1230 Y1234 T1258P1203-T1232 HydrophobicContact CB-CG2 4.17Å; S1229-T1232 VanDerWaalsContact CB-OG1 3.3Å; S1229-T1232 WeakPolarHBondContact CB-OG1 3.36Å; S1229-T1232 WeakPolarHBondContact O-CB 3.39Å; S1229-T1232 PolarHBondContact O-OG1 2.91Å; P1230-T1232 PolarHBondContact O-N 2.84Å; P1230-T1232 VanDerWaalsContact O-N 3.15Å; P1230-T1232 PolarHBondContact O-OG1 2.91Å; T1232-Y1234 HydrophobicContact CG2-CD2 4.25Å; T1232-Y1234 HydrophobicContact CG2-CE1 4.43Å; T1232-Y1234 HydrophobicContact CG2-CE2 3.67Å; T1232-Y1234 VanDerWaalsContact O-CD2 3.25Å; T1232-Y1234 WeakPolarHBondContact O-CD2 3.37Å; T1232-T1258 PolarHBondContact N-OG1 3.05Å; T1232-T1258 VanDerWaalsContact N-OG1 3.08Å; T1232-T1258 PolarHBondContact O-N 2.84Å; T1232-T1258 PolarHBondContact O-OG1 3.15Å
1233W82Confident80.1Confident115 Ų11545.4 Ų45.444%0.43624%0.236SC..EExtended strand (participates in β ladder)trans-78.5127.4173.2-76.289.8000110.8P1203 L1204 F1255 V1256 H1257P1203-W1233 WeakPolarHBondContact CA-O 3.2Å; L1204-W1233 HydrophobicContact CB-CB 4.08Å; L1204-W1233 HydrophobicContact CD1-CB 3.59Å; L1204-W1233 HydrophobicContact CD1-CG 4.47Å; L1204-W1233 HydrophobicContact CG-CB 4.46Å; L1204-W1233 PolarHBondContact N-O 2.9Å; W1233-F1255 HydrophobicContact CE3-CB 4.24Å; W1233-F1255 HydrophobicContact CZ3-CB 4.24Å; W1233-V1256 WeakPolarHBondContact CA-O 3.25Å; W1233-H1257 AromaticContact CD1-CD2 3.25Å; W1233-H1257 AromaticContact CD1-NE2 3.67Å; W1233-H1257 HydrophobicContact CD2-CB 3.81Å; W1233-H1257 AromaticContact CD2-CD2 3.84Å; W1233-H1257 AromaticContact CE2-CD2 3.67Å; W1233-H1257 AromaticContact CE2-CG 3.69Å; W1233-H1257 HydrophobicContact CE3-CB 3.96Å; W1233-H1257 HydrophobicContact CG-CB 4.42Å; W1233-H1257 AromaticContact CG-CD2 3.6Å; W1233-H1257 HydrophobicContact CH2-CB 4.01Å; W1233-H1257 HydrophobicContact CZ2-CB 3.84Å; W1233-H1257 HydrophobicContact CZ3-CB 4.06Å; W1233-H1257 AromaticContact NE1-CD2 3.27Å; W1233-H1257 PolarHBondContact NE1-CD2 2.94Å; W1233-H1257 VanDerWaalsContact NE1-CD2 3.27Å; W1233-H1257 AromaticContact NE1-CG 3.7Å; W1233-H1257 AromaticContact NE1-NE2 3.6Å
1234Y84.5Confident78.9Confident13 Ų1347.5 Ų47.55%0.05125%0.252CS..EExtended strand (participates in β ladder)trans-117.4143.3176-69.2-85.5000110.8I1201 K1202 P1203 L1228 S1229 T1232 F1255 V1256 T1258I1201-Y1234 HydrophobicContact CG2-CD1 3.47Å; I1201-Y1234 VanDerWaalsContact CG2-CD1 3.47Å; I1201-Y1234 HydrophobicContact CG2-CE1 4.22Å; I1201-Y1234 HydrophobicContact CG2-CG 4.08Å; K1202-Y1234 CarbonylContact O-C 3.59Å; K1202-Y1234 WeakPolarHBondContact O-CA 3.31Å; P1203-Y1234 HydrophobicContact CB-CD1 4.03Å; P1203-Y1234 HydrophobicContact CB-CE1 3.75Å; P1203-Y1234 HydrophobicContact CG-CE1 4.35Å; L1228-Y1234 HydrophobicContact CB-CE2 3.81Å; L1228-Y1234 HydrophobicContact CD1-CD2 4.05Å; L1228-Y1234 HydrophobicContact CD1-CE2 3.99Å; L1228-Y1234 HydrophobicContact CD1-CG 4.47Å; L1228-Y1234 HydrophobicContact CD2-CE1 4.02Å; L1228-Y1234 HydrophobicContact CD2-CE2 4.4Å; L1228-Y1234 HydrophobicContact CG-CE2 4.29Å; S1229-Y1234 WeakPolarHBondContact CB-OH 3.49Å; S1229-Y1234 PolarHBondContact N-OH 2.95Å; T1232-Y1234 HydrophobicContact CG2-CD2 4.25Å; T1232-Y1234 HydrophobicContact CG2-CE1 4.43Å; T1232-Y1234 HydrophobicContact CG2-CE2 3.67Å; T1232-Y1234 VanDerWaalsContact O-CD2 3.25Å; T1232-Y1234 WeakPolarHBondContact O-CD2 3.37Å; Y1234-F1255 WeakPolarHBondContact O-CA 3.43Å; Y1234-V1256 PolarHBondContact N-O 3.02Å; Y1234-V1256 PolarHBondContact O-N 3.48Å; Y1234-T1258 HydrophobicContact CD2-CG2 4.17Å; Y1234-T1258 HydrophobicContact CE2-CG2 4.03Å
1235S86.6Confident77.9Confident2 Ų252.1 Ų52.11%0.01427%0.271CS..EExtended strand (participates in β ladder)trans-102.6133.1165160.20000109.4I1201 K1202 E1253 I1254I1201-S1235 WeakPolarHBondContact CA-O 3.4Å; K1202-S1235 VanDerWaalsContact CE-CB 3.43Å; K1202-S1235 VanDerWaalsContact CE-OG 3.26Å; K1202-S1235 WeakPolarHBondContact CE-OG 3.45Å; K1202-S1235 PolarHBondContact N-O 2.94Å; K1202-S1235 PolarHBondContact O-N 2.86Å; S1235-E1253 WeakPolarHBondContact OG-CB 2.79Å; S1235-E1253 WeakPolarHBondContact OG-CG 3.11Å; S1235-E1253 PolarHBondContact OG-OE2 3.42Å; S1235-I1254 WeakPolarHBondContact CA-O 3.4Å
1236V87.9Confident76.8Confident0 Ų056.9 Ų56.90%029%0.293CS..EExtended strand (participates in β ladder)trans-125.5130.6-173-173.30000109.6F1176 V1178 V1199 F1200 I1201 E1253 I1254 V1256F1176-V1236 HydrophobicContact CE2-CG2 3.7Å; F1176-V1236 HydrophobicContact CZ-CG2 3.54Å; V1178-V1236 HydrophobicContact CB-CG1 4.38Å; V1178-V1236 HydrophobicContact CG1-CG1 4.3Å; V1178-V1236 HydrophobicContact CG2-CG1 4.14Å; V1199-V1236 HydrophobicContact CG1-CG1 3.83Å; F1200-V1236 WeakPolarHBondContact O-CA 3.16Å; I1201-V1236 HydrophobicContact CG1-CG1 4.44Å; I1201-V1236 HydrophobicContact CG1-CG2 4.43Å; V1236-E1253 WeakPolarHBondContact O-CA 3.43Å; V1236-I1254 HydrophobicContact CB-CG2 3.9Å; V1236-I1254 PolarHBondContact N-O 3.47Å; V1236-I1254 PolarHBondContact O-N 3.04Å; V1236-V1256 HydrophobicContact CG2-CG1 3.91Å
1237S88.1Confident76.3Confident5 Ų554.2 Ų54.24%0.03529%0.285CS..EExtended strand (participates in β ladder)trans-136.7153.2171.552.20000110.7F1200F1200-S1237 PolarHBondContact N-O 2.82Å; F1200-S1237 PolarHBondContact O-N 3.02Å
1238V86.2Confident75.9Confident0 Ų049.5 Ų49.50%025%0.252CS..EExtended strand (participates in β ladder)trans-122.4141.7-178.3-170.90000109.9P1163 L1166 W1180 Y1197 Y1198 V1199 S1251P1163-V1238 HydrophobicContact CB-CB 4.31Å; P1163-V1238 HydrophobicContact CB-CG1 4.34Å; P1163-V1238 HydrophobicContact CG-CB 4.19Å; P1163-V1238 HydrophobicContact CG-CG1 3.95Å; L1166-V1238 HydrophobicContact CD2-CG2 3.9Å; L1166-V1238 HydrophobicContact CG-CG2 4.42Å; W1180-V1238 HydrophobicContact CD2-CG1 3.94Å; W1180-V1238 HydrophobicContact CD2-CG2 4.16Å; W1180-V1238 HydrophobicContact CE3-CG1 4.31Å; W1180-V1238 HydrophobicContact CE3-CG2 3.87Å; W1180-V1238 HydrophobicContact CG-CG1 4.32Å; W1180-V1238 HydrophobicContact CZ2-CG1 4.22Å; W1180-V1238 HydrophobicContact CZ3-CG2 4.33Å; Y1197-V1238 HydrophobicContact CD1-CG1 4.19Å; Y1198-V1238 WeakPolarHBondContact O-CA 3.5Å; V1199-V1238 HydrophobicContact CG2-CG1 4.47Å; V1199-V1238 HydrophobicContact CG2-CG2 4.19Å; V1238-S1251 PolarHBondContact N-OG 3.01Å; V1238-S1251 WeakPolarHBondContact O-CB 3.43Å; V1238-S1251 PolarHBondContact O-N 3.26Å; V1238-S1251 PolarHBondContact O-OG 2.9Å
1239Q85.2Confident75.5Confident30 Ų3054.4 Ų54.414%0.1428%0.277CS..EExtended strand (participates in β ladder)trans-129.6143.7178-165.4174.432.100109.3Y1197 Y1198 F1200 I1247 S1248 K1250Y1197-Q1239 WeakPolarHBondContact CA-O 3.44Å; Y1198-Q1239 PolarHBondContact N-O 3Å; Y1198-Q1239 PolarHBondContact O-N 3.04Å; F1200-Q1239 HydrophobicContact CD2-CB 4.37Å; F1200-Q1239 HydrophobicContact CE2-CB 3.68Å; Q1239-I1247 VanDerWaalsContact CD-CG2 3.49Å; Q1239-I1247 HydrophobicContact CG-CG2 4.04Å; Q1239-S1248 VanDerWaalsContact CG-O 3.31Å; Q1239-S1248 WeakPolarHBondContact CG-O 3.38Å; Q1239-S1248 PolarHBondContact NE2-O 3.47Å; Q1239-K1250 HydrophobicContact CB-CG 4.28Å; Q1239-K1250 HydrophobicContact CG-CG 4.39Å
1240C78.1Confident75.5Confident3 Ų355.4 Ų55.42%0.0227%0.273CS..EExtended strand (participates in β ladder)trans-111.7147.2173.769.10000111.5P1163 Y1196 Y1197 S1248P1163-C1240 HydrophobicContact CG-CB 4.39Å; Y1196-C1240 CarbonylContact O-C 3.5Å; Y1196-C1240 WeakPolarHBondContact O-CA 3.47Å; Y1197-C1240 HydrophobicContact CD1-CB 3.85Å; Y1197-C1240 HydrophobicContact CE1-CB 3.65Å; C1240-S1248 PolarHBondContact N-OG 3.25Å; C1240-S1248 PolarHBondContact O-N 2.57Å; C1240-S1248 PolarHBondContact O-OG 3.45Å; C1240-S1248 VanDerWaalsContact SG-CB 3.52Å; C1240-S1248 PolarHBondContact SG-OG 3.13Å
1241I76Confident75.9Confident27 Ų2753.9 Ų53.914%0.13826%0.263CS..EExtended strand (participates in β ladder)trans-124128.8172.3-52.9-173000107.6N1195 Y1196 Y1198 H1246 I1247N1195-I1241 CarbonylContact C-O 3.59Å; N1195-I1241 WeakPolarHBondContact CA-O 3.35Å; Y1196-I1241 PolarHBondContact N-O 3.16Å; Y1196-I1241 PolarHBondContact O-N 3.39Å; Y1198-I1241 HydrophobicContact CD2-CD1 3.8Å; Y1198-I1241 HydrophobicContact CD2-CG1 4.06Å; Y1198-I1241 HydrophobicContact CE2-CD1 3.47Å; Y1198-I1241 VanDerWaalsContact CE2-CD1 3.47Å; Y1198-I1241 HydrophobicContact CE2-CG1 4.02Å; I1241-H1246 WeakPolarHBondContact CA-O 3.37Å; I1241-I1247 HydrophobicContact CD1-CG1 4.07Å; I1241-I1247 HydrophobicContact CG1-CG1 4.12Å; I1241-I1247 HydrophobicContact CG1-CG2 4.37Å; I1241-I1247 HydrophobicContact CG2-CG1 4.35Å
1242D67.1Low75.8Confident15 Ų1558 Ų588%0.0828%0.28CS..  trans-77.4170.517675.913.6000112.9I1160 N1195 T1244 Y1245 H1246I1160-D1242 HydrophobicContact CD1-CB 3.62Å; I1160-D1242 WeakPolarHBondContact CD1-OD2 3.44Å; N1195-D1242 WeakPolarHBondContact OD1-CA 3.06Å; D1242-T1244 PolarHBondContact O-N 3.31Å; D1242-T1244 WeakPolarHBondContact OD1-CA 3.41Å; D1242-T1244 WeakPolarHBondContact OD1-CB 3.42Å; D1242-T1244 PolarHBondContact OD1-N 2.74Å; D1242-T1244 PolarHBondContact OD1-OG1 3.1Å; D1242-T1244 PolarHBondContact OD2-OG1 2.97Å; D1242-Y1245 PolarHBondContact O-N 2.78Å; D1242-Y1245 VanDerWaalsContact O-N 3.08Å; D1242-Y1245 PolarHBondContact OD1-N 2.88Å; D1242-H1246 PolarHBondContact N-O 3.35Å; D1242-H1246 VanDerWaalsContact N-O 3.1Å; D1242-H1246 IonicContact OD1-CG 3.05Å; D1242-H1246 PolarHBondContact OD1-N 2.85Å; D1242-H1246 IonicContact OD1-ND1 3.38Å; D1242-H1246 IonicContact OD2-CG 3.74Å; D1242-H1246 IonicContact OD2-ND1 3.31Å; D1242-H1246 PolarHBondContact OD2-ND1 2.86Å
1243T64.6Low76Confident92 Ų9260.2 Ų60.256%0.56429%0.288SS*.THydrogen-bonded Turntrans-63.3-6.517749.40000114.6N1194N1194-T1243 HydrophobicContact CB-CG2 3.27Å; N1194-T1243 WeakPolarHBondContact O-CG2 3.41Å
1244T61.3Low76.1Confident86 Ų8657 Ų5753%0.52828%0.279SS..THydrogen-bonded Turntrans-109.116.6176.840.10000113.2D1242 H1246D1242-T1244 PolarHBondContact O-N 3.31Å; D1242-T1244 WeakPolarHBondContact OD1-CA 3.41Å; D1242-T1244 WeakPolarHBondContact OD1-CB 3.42Å; D1242-T1244 PolarHBondContact OD1-N 2.74Å; D1242-T1244 PolarHBondContact OD1-OG1 3.1Å; D1242-T1244 PolarHBondContact OD2-OG1 2.97Å; T1244-H1246 VanDerWaalsContact C-N 3.26Å; T1244-H1246 PolarHBondContact O-N 3.27Å; T1244-H1246 PolarHBondContact OG1-ND1 3.41Å; T1244-H1246 VanDerWaalsContact OG1-ND1 3.14Å
1245Y61Low76.2Confident206 Ų20661.7 Ų61.781%0.80830%0.3SS*.  trans63.920179-67.4-86.1000115.4D1242D1242-Y1245 PolarHBondContact O-N 2.78Å; D1242-Y1245 VanDerWaalsContact O-N 3.08Å; D1242-Y1245 PolarHBondContact OD1-N 2.88Å
1246H60.3Low76Confident103 Ų10362 Ų6248%0.47730%0.301SS..PPolyproline II helixtrans-82.3125.3170.1-5997.7000110.2I1160 I1241 D1242 T1244I1160-H1246 HydrophobicContact CD1-CB 4.34Å; I1241-H1246 WeakPolarHBondContact CA-O 3.37Å; D1242-H1246 PolarHBondContact N-O 3.35Å; D1242-H1246 VanDerWaalsContact N-O 3.1Å; D1242-H1246 IonicContact OD1-CG 3.05Å; D1242-H1246 PolarHBondContact OD1-N 2.85Å; D1242-H1246 IonicContact OD1-ND1 3.38Å; D1242-H1246 IonicContact OD2-CG 3.74Å; D1242-H1246 IonicContact OD2-ND1 3.31Å; D1242-H1246 PolarHBondContact OD2-ND1 2.86Å; T1244-H1246 VanDerWaalsContact C-N 3.26Å; T1244-H1246 PolarHBondContact O-N 3.27Å; T1244-H1246 PolarHBondContact OG1-ND1 3.41Å; T1244-H1246 VanDerWaalsContact OG1-ND1 3.14Å
1247I67.2Low75.7Confident93 Ų9364.6 Ų64.648%0.47731%0.313SS..BIsolated β-bridgetrans-99.9127.9-171.9-55.4174000109.4Q1239 I1241Q1239-I1247 VanDerWaalsContact CD-CG2 3.49Å; Q1239-I1247 HydrophobicContact CG-CG2 4.04Å; I1241-I1247 HydrophobicContact CD1-CG1 4.07Å; I1241-I1247 HydrophobicContact CG1-CG1 4.12Å; I1241-I1247 HydrophobicContact CG1-CG2 4.37Å; I1241-I1247 HydrophobicContact CG2-CG1 4.35Å
1248S70.8Confident75.2Confident3 Ų364.3 Ų64.32%0.02131%0.311CS..PPolyproline II helixtrans-70.2163.7171.875.80000111.6Q1239 C1240Q1239-S1248 VanDerWaalsContact CG-O 3.31Å; Q1239-S1248 WeakPolarHBondContact CG-O 3.38Å; Q1239-S1248 PolarHBondContact NE2-O 3.47Å; C1240-S1248 PolarHBondContact N-OG 3.25Å; C1240-S1248 PolarHBondContact O-N 2.57Å; C1240-S1248 PolarHBondContact O-OG 3.45Å; C1240-S1248 VanDerWaalsContact SG-CB 3.52Å; C1240-S1248 PolarHBondContact SG-OG 3.13Å
1249I71.8Confident74.2Confident120 Ų12069.3 Ų69.362%0.61533%0.331SS*.PPolyproline II helixtrans-63.1159.2158.454.3169.7000109.9P1162P1162-I1249 HydrophobicContact CB-CG1 4Å; P1162-I1249 WeakPolarHBondContact CB-O 3.33Å; P1162-I1249 HydrophobicContact CG-CD1 3.94Å; P1162-I1249 HydrophobicContact CG-CG1 3.74Å
1250K77.1Confident73.1Confident85 Ų8568.6 Ų68.637%0.3733%0.329SS..PPolyproline II helixtrans-70.4148.9173.2-64.3-174.9178.8-173.20109.7F1200 Q1239F1200-K1250 VanDerWaalsContact CD1-NZ 3.29Å; F1200-K1250 HydrophobicContact CD2-CD 4.1Å; F1200-K1250 HydrophobicContact CD2-CG 4.47Å; F1200-K1250 HydrophobicContact CE2-CD 4.37Å; F1200-K1250 HydrophobicContact CE2-CG 4.48Å; F1200-K1250 HydrophobicContact CG-CD 4.36Å; Q1239-K1250 HydrophobicContact CB-CG 4.28Å; Q1239-K1250 HydrophobicContact CG-CG 4.39Å
1251S82Confident71.9Confident10 Ų1073.1 Ų73.17%0.0735%0.35CS..PPolyproline II helixtrans-62.8165.4170.871.80000111.9P1163 L1166 V1238P1163-S1251 WeakPolarHBondContact O-CB 3.29Å; L1166-S1251 VanDerWaalsContact CD2-OG 3.31Å; L1166-S1251 WeakPolarHBondContact CD2-OG 3.48Å; V1238-S1251 PolarHBondContact N-OG 3.01Å; V1238-S1251 WeakPolarHBondContact O-CB 3.43Å; V1238-S1251 PolarHBondContact O-N 3.26Å; V1238-S1251 PolarHBondContact O-OG 2.9Å
1252E76.7Confident70.8Confident178 Ų17875.4 Ų75.483%0.83237%0.366SS*.PPolyproline II helixtrans-53142.8164.3-72.5-67.9149.900110.4
1253E82.2Confident69.7Low78 Ų7877.7 Ų77.736%0.36438%0.38SS..PPolyproline II helixtrans-78.4125.8-178.8-72.5-173.8171.700110.7K1202 S1235 V1236K1202-E1253 WeakPolarHBondContact CE-OE1 3.41Å; K1202-E1253 WeakPolarHBondContact CE-OE2 3.24Å; K1202-E1253 IonicContact NZ-OE1 3.96Å; K1202-E1253 PolarHBondContact NZ-OE1 2.85Å; K1202-E1253 IonicContact NZ-OE2 3.16Å; K1202-E1253 PolarHBondContact NZ-OE2 2.76Å; S1235-E1253 WeakPolarHBondContact OG-CB 2.79Å; S1235-E1253 WeakPolarHBondContact OG-CG 3.11Å; S1235-E1253 PolarHBondContact OG-OE2 3.42Å; V1236-E1253 WeakPolarHBondContact O-CA 3.43Å
1254I83.8Confident69Low49 Ų4975.8 Ų75.825%0.25136%0.364SS..EExtended strand (participates in β ladder)trans-100139.6169.3-170163.8000110.1L1166 I1168 S1235 V1236L1166-I1254 HydrophobicContact CB-CG2 4.2Å; L1166-I1254 HydrophobicContact CD2-CG2 4.09Å; L1166-I1254 WeakPolarHBondContact O-CD1 3.33Å; I1168-I1254 HydrophobicContact CD1-CD1 4.32Å; I1168-I1254 HydrophobicContact CD1-CG1 4.29Å; I1168-I1254 HydrophobicContact CD1-CG2 3.86Å; I1168-I1254 HydrophobicContact CG1-CD1 4.26Å; I1168-I1254 HydrophobicContact CG1-CG2 4.4Å; S1235-I1254 WeakPolarHBondContact CA-O 3.4Å; V1236-I1254 HydrophobicContact CB-CG2 3.9Å; V1236-I1254 PolarHBondContact N-O 3.47Å; V1236-I1254 PolarHBondContact O-N 3.04Å
1255F86Confident68.3Low111 Ų11178.5 Ų78.549%0.48737%0.365SS..EExtended strand (participates in β ladder)trans-101134.4179.7-59.3-76.7000111L1204 W1233 Y1234L1204-F1255 HydrophobicContact CD1-CD1 3.46Å; L1204-F1255 VanDerWaalsContact CD1-CD1 3.46Å; L1204-F1255 HydrophobicContact CD1-CE1 3.84Å; L1204-F1255 HydrophobicContact CD1-CG 4.47Å; L1204-F1255 HydrophobicContact CD2-CE1 4.07Å; L1204-F1255 HydrophobicContact CG-CD1 4.31Å; L1204-F1255 HydrophobicContact CG-CE1 4.27Å; W1233-F1255 HydrophobicContact CE3-CB 4.24Å; W1233-F1255 HydrophobicContact CZ3-CB 4.24Å; Y1234-F1255 WeakPolarHBondContact O-CA 3.43Å
1256V83.7Confident67.7Low7 Ų773.9 Ų73.94%0.04235%0.354CS..EExtended strand (participates in β ladder)trans-138.1139.3178.852.70000110.4I1168 I1171 F1176 W1233 Y1234 V1236I1168-V1256 HydrophobicContact CD1-CB 3.49Å; I1168-V1256 VanDerWaalsContact CD1-CB 3.49Å; I1168-V1256 HydrophobicContact CD1-CG1 3.67Å; I1168-V1256 HydrophobicContact CD1-CG2 4.05Å; I1168-V1256 HydrophobicContact CG2-CG2 4.03Å; I1171-V1256 HydrophobicContact CD1-CG2 4.05Å; I1171-V1256 HydrophobicContact CG1-CG2 4.27Å; F1176-V1256 HydrophobicContact CB-CG2 4.41Å; F1176-V1256 HydrophobicContact CD1-CB 4.41Å; F1176-V1256 HydrophobicContact CD1-CG1 3.78Å; F1176-V1256 HydrophobicContact CD1-CG2 3.7Å; F1176-V1256 HydrophobicContact CD2-CG1 4.18Å; F1176-V1256 HydrophobicContact CD2-CG2 4.45Å; F1176-V1256 HydrophobicContact CE1-CB 4.31Å; F1176-V1256 HydrophobicContact CE1-CG1 3.26Å; F1176-V1256 HydrophobicContact CE1-CG2 4.07Å; F1176-V1256 HydrophobicContact CE2-CG1 3.72Å; F1176-V1256 HydrophobicContact CG-CG1 4.23Å; F1176-V1256 HydrophobicContact CG-CG2 3.93Å; F1176-V1256 HydrophobicContact CZ-CG1 3.25Å; W1233-V1256 WeakPolarHBondContact CA-O 3.25Å; Y1234-V1256 PolarHBondContact N-O 3.02Å; Y1234-V1256 PolarHBondContact O-N 3.48Å; V1236-V1256 HydrophobicContact CG2-CG1 3.91Å
1257H81.1Confident67Low55 Ų5571.5 Ų71.526%0.25535%0.349SS..EExtended strand (participates in β ladder)trans-104.7118.9175-167.2-132.9000108.7D1231 W1233D1231-H1257 VanDerWaalsContact C-NE2 3.35Å; D1231-H1257 IonicContact OD1-CE1 2.76Å; D1231-H1257 PolarHBondContact OD1-CE1 3.09Å; D1231-H1257 IonicContact OD1-NE2 3.89Å; D1231-H1257 PolarHBondContact OD1-NE2 2.86Å; W1233-H1257 AromaticContact CD1-CD2 3.25Å; W1233-H1257 AromaticContact CD1-NE2 3.67Å; W1233-H1257 HydrophobicContact CD2-CB 3.81Å; W1233-H1257 AromaticContact CD2-CD2 3.84Å; W1233-H1257 AromaticContact CE2-CD2 3.67Å; W1233-H1257 AromaticContact CE2-CG 3.69Å; W1233-H1257 HydrophobicContact CE3-CB 3.96Å; W1233-H1257 HydrophobicContact CG-CB 4.42Å; W1233-H1257 AromaticContact CG-CD2 3.6Å; W1233-H1257 HydrophobicContact CH2-CB 4.01Å; W1233-H1257 HydrophobicContact CZ2-CB 3.84Å; W1233-H1257 HydrophobicContact CZ3-CB 4.06Å; W1233-H1257 AromaticContact NE1-CD2 3.27Å; W1233-H1257 PolarHBondContact NE1-CD2 2.94Å; W1233-H1257 VanDerWaalsContact NE1-CD2 3.27Å; W1233-H1257 AromaticContact NE1-CG 3.7Å; W1233-H1257 AromaticContact NE1-NE2 3.6Å
1258T78Confident66.2Low0 Ų068 Ų680%033%0.332CS..PPolyproline II helixtrans-64.9143.2167.6470000108.6F1176 L1228 S1229 D1231 T1232 Y1234 S1260F1176-T1258 HydrophobicContact CD1-CG2 4.27Å; F1176-T1258 HydrophobicContact CE1-CG2 4.49Å; L1228-T1258 HydrophobicContact CB-CG2 3.96Å; L1228-T1258 HydrophobicContact CD1-CG2 3.95Å; S1229-T1258 PolarHBondContact O-OG1 3.4Å; D1231-T1258 PolarHBondContact N-O 3.49Å; D1231-T1258 PolarHBondContact N-OG1 3.47Å; T1232-T1258 PolarHBondContact N-OG1 3.05Å; T1232-T1258 VanDerWaalsContact N-OG1 3.08Å; T1232-T1258 PolarHBondContact O-N 2.84Å; T1232-T1258 PolarHBondContact O-OG1 3.15Å; Y1234-T1258 HydrophobicContact CD2-CG2 4.17Å; Y1234-T1258 HydrophobicContact CE2-CG2 4.03Å; T1258-S1260 PolarHBondContact O-N 2.87Å
1259Y65.2Low65.2Low104 Ų10469.5 Ų69.541%0.40834%0.339SS..PPolyproline II helixtrans-62.6142.3178.8-68.2-45.8000110.2I1171 N1172 D1231 V1263I1171-Y1259 HydrophobicContact CB-CE2 4.19Å; I1171-Y1259 HydrophobicContact CG2-CD2 4.25Å; I1171-Y1259 HydrophobicContact CG2-CE2 4.08Å; I1171-Y1259 WeakPolarHBondContact O-CE2 3.39Å; N1172-Y1259 PolarHBondContact O-N 2.9Å; D1231-Y1259 PolarHBondContact N-O 3.09Å; Y1259-V1263 HydrophobicContact CD1-CG1 4.35Å
1260S60.2Low64.1Low15 Ų1569.8 Ų69.811%0.10534%0.338CS..PPolyproline II helixtrans-62.2144.4168.4-163.20000109.3D1231 T1258 T1262 V1263D1231-S1260 VanDerWaalsContact CG-CB 3.45Å; D1231-S1260 WeakPolarHBondContact OD1-CB 3.34Å; D1231-S1260 PolarHBondContact OD2-OG 2.84Å; T1258-S1260 PolarHBondContact O-N 2.87Å; S1260-T1262 WeakPolarHBondContact CB-OG1 3.22Å; S1260-T1262 PolarHBondContact O-N 3.41Å; S1260-T1262 PolarHBondContact OG-OG1 3.15Å; S1260-V1263 PolarHBondContact O-N 3.34Å
1261E54.1Low62.7Low98 Ų9867.2 Ų67.246%0.45833%0.328SS..THydrogen-bonded Turntrans-54.8-17.7171.8-94.8-171.4154.500112Y1174 P1230 K1336Y1174-E1261 PolarHBondContact OH-OE1 3Å; P1230-E1261 HydrophobicContact CB-CG 4.07Å; P1230-E1261 HydrophobicContact CG-CG 3.95Å; E1261-K1336 IonicContact OE1-NZ 3.54Å; E1261-K1336 PolarHBondContact OE1-NZ 2.71Å
1262T52.6Low61.3Low76 Ų7667.4 Ų67.447%0.46633%0.329SS..THydrogen-bonded Turntrans-85-27.3176.758.40000114.1S1260 R1265 D1266S1260-T1262 WeakPolarHBondContact CB-OG1 3.22Å; S1260-T1262 PolarHBondContact O-N 3.41Å; S1260-T1262 PolarHBondContact OG-OG1 3.15Å; T1262-R1265 WeakPolarHBondContact O-CA 3.41Å; T1262-R1265 VanDerWaalsContact O-CB 3.25Å; T1262-R1265 WeakPolarHBondContact O-CB 3.4Å; T1262-R1265 PolarHBondContact O-N 2.92Å; T1262-R1265 VanDerWaalsContact O-N 3.16Å; T1262-D1266 PolarHBondContact O-N 2.91Å
1263V44.9Very low59.8Low63 Ų6361.7 Ų61.738%0.38230%0.304SS..Hα-helixtrans-75.9-34.8-169.81720000112.8Y1259 S1260 R1265 S1267Y1259-V1263 HydrophobicContact CD1-CG1 4.35Å; S1260-V1263 PolarHBondContact O-N 3.34Å; V1263-R1265 VanDerWaalsContact C-N 3.32Å; V1263-S1267 VanDerWaalsContact O-CB 3.25Å; V1263-S1267 WeakPolarHBondContact O-CB 3.4Å; V1263-S1267 PolarHBondContact O-N 3.24Å; V1263-S1267 PolarHBondContact O-OG 3.22Å
1264E49.8Very low58.1Low51 Ų5163 Ų6324%0.23831%0.312CS..Hα-helixtrans-76-25.3170.2-146.5177.3-167.900111L1268E1264-L1268 WeakPolarHBondContact O-CB 3.43Å; E1264-L1268 PolarHBondContact O-N 2.94Å
1265R45.8Very low56.5Low144 Ų14462.5 Ų62.554%0.54331%0.31SS..Hα-helixtrans-66.8-45.4173.6-149.1177.8-167173.62.3110.9T1262 V1263 N1269T1262-R1265 WeakPolarHBondContact O-CA 3.41Å; T1262-R1265 VanDerWaalsContact O-CB 3.25Å; T1262-R1265 WeakPolarHBondContact O-CB 3.4Å; T1262-R1265 PolarHBondContact O-N 2.92Å; T1262-R1265 VanDerWaalsContact O-N 3.16Å; V1263-R1265 VanDerWaalsContact C-N 3.32Å; R1265-N1269 WeakPolarHBondContact O-CB 3.29Å; R1265-N1269 PolarHBondContact O-N 3.41Å; R1265-N1269 PolarHBondContact O-ND2 2.77Å
1266D47.7Very low54.6Low108 Ų10859.5 Ų59.558%0.57830%0.299SS*.Hα-helixtrans-78.7-34.9-179.9-73.3-24.7000113.2T1262 H1270T1262-D1266 PolarHBondContact O-N 2.91Å; D1266-H1270 WeakPolarHBondContact O-CB 3.05Å; D1266-H1270 PolarHBondContact O-N 3.05Å
1267S46Very low52.6Low53 Ų5366.3 Ų66.337%0.37133%0.33SS..Hα-helixtrans-76.6-35.3-179.9-54.50000113.1V1263 L1271V1263-S1267 VanDerWaalsContact O-CB 3.25Å; V1263-S1267 WeakPolarHBondContact O-CB 3.4Å; V1263-S1267 PolarHBondContact O-N 3.24Å; V1263-S1267 PolarHBondContact O-OG 3.22Å; S1267-L1271 PolarHBondContact O-N 3.4Å
1268L50.4Low50.9Low21 Ų2166.6 Ų66.611%0.1134%0.336CS..Hα-helixtrans-80.8-31.6173.1-135.980.2000111.3E1264 H1270 L1271 T1272 F1305 T1435E1264-L1268 WeakPolarHBondContact O-CB 3.43Å; E1264-L1268 PolarHBondContact O-N 2.94Å; L1268-H1270 VanDerWaalsContact C-N 3.32Å; L1268-L1271 PolarHBondContact O-N 2.8Å; L1268-T1272 PolarHBondContact O-N 3.23Å; L1268-T1272 VanDerWaalsContact O-N 3.1Å; L1268-T1272 PolarHBondContact O-OG1 2.77Å; L1268-F1305 HydrophobicContact CD1-CD1 3.98Å; L1268-F1305 HydrophobicContact CD1-CE1 4.27Å; L1268-F1305 HydrophobicContact CD1-CG 4.33Å; L1268-T1435 HydrophobicContact CD2-CG2 3.45Å; L1268-T1435 VanDerWaalsContact CD2-CG2 3.45Å; L1268-T1435 HydrophobicContact CG-CG2 4.24Å
1269N51Low49Very low33 Ų3368.7 Ų68.718%0.17635%0.349CS..Hα-helixtrans-67.2-29.7168.1-76.5-25.3000112.9R1265 L1271 T1272 N1273R1265-N1269 WeakPolarHBondContact O-CB 3.29Å; R1265-N1269 PolarHBondContact O-N 3.41Å; R1265-N1269 PolarHBondContact O-ND2 2.77Å; N1269-L1271 VanDerWaalsContact C-N 3.34Å; N1269-T1272 VanDerWaalsContact CA-OG1 3.28Å; N1269-T1272 WeakPolarHBondContact CA-OG1 2.97Å; N1269-T1272 PolarHBondContact O-N 2.67Å; N1269-T1272 PolarHBondContact O-OG1 2.63Å; N1269-N1273 WeakPolarHBondContact O-CB 3.28Å; N1269-N1273 PolarHBondContact O-N 2.89Å; N1269-N1273 PolarHBondContact O-ND2 2.61Å
1270H48.6Very low48Very low126 Ų12669.4 Ų69.458%0.58337%0.367SS*.Hα-helixtrans-63.9-39.9170.7-12659.3000110.9D1266 L1268 N1273 L1274D1266-H1270 WeakPolarHBondContact O-CB 3.05Å; D1266-H1270 PolarHBondContact O-N 3.05Å; L1268-H1270 VanDerWaalsContact C-N 3.32Å; H1270-N1273 PolarHBondContact O-N 3.25Å; H1270-L1274 WeakPolarHBondContact O-CB 3.48Å; H1270-L1274 WeakPolarHBondContact O-CD1 3.27Å; H1270-L1274 PolarHBondContact O-N 3.47Å
1271L48Very low47.3Very low32 Ų3272.1 Ų72.117%0.16838%0.378CS..Hα-helixtrans-69-35.4174.9-98.786.7000113.9S1267 L1268 N1269 N1273 L1274 I1275 L1302 F1305S1267-L1271 PolarHBondContact O-N 3.4Å; L1268-L1271 PolarHBondContact O-N 2.8Å; N1269-L1271 VanDerWaalsContact C-N 3.34Å; L1271-N1273 VanDerWaalsContact C-N 3.35Å; L1271-L1274 PolarHBondContact O-N 3.18Å; L1271-I1275 PolarHBondContact O-N 3.27Å; L1271-L1302 HydrophobicContact CD2-CD2 3.62Å; L1271-L1302 HydrophobicContact CD2-CG 4.45Å; L1271-F1305 HydrophobicContact CD1-CD2 4.07Å; L1271-F1305 HydrophobicContact CD1-CE2 3.14Å; L1271-F1305 HydrophobicContact CD1-CZ 3.51Å; L1271-F1305 HydrophobicContact CD2-CD2 3.7Å; L1271-F1305 HydrophobicContact CD2-CE2 3.62Å; L1271-F1305 HydrophobicContact CG-CE2 3.99Å
1272T50.5Low46.8Very low14 Ų1473.2 Ų73.29%0.08638%0.383CS..Hα-helixtrans-73.3-25.1173.6270000113.5L1268 N1269L1268-T1272 PolarHBondContact O-N 3.23Å; L1268-T1272 VanDerWaalsContact O-N 3.1Å; L1268-T1272 PolarHBondContact O-OG1 2.77Å; N1269-T1272 VanDerWaalsContact CA-OG1 3.28Å; N1269-T1272 WeakPolarHBondContact CA-OG1 2.97Å; N1269-T1272 PolarHBondContact O-N 2.67Å; N1269-T1272 PolarHBondContact O-OG1 2.63Å
1273N46.5Very low46.3Very low58 Ų5875.7 Ų75.731%0.3139%0.389SS..Hα-helixtrans-76.3-26.5168.2-78.8-38.8000112.8N1269 H1270 L1271 L1276 H1277 K1438N1269-N1273 WeakPolarHBondContact O-CB 3.28Å; N1269-N1273 PolarHBondContact O-N 2.89Å; N1269-N1273 PolarHBondContact O-ND2 2.61Å; H1270-N1273 PolarHBondContact O-N 3.25Å; L1271-N1273 VanDerWaalsContact C-N 3.35Å; N1273-L1276 PolarHBondContact O-N 2.99Å; N1273-H1277 PolarHBondContact O-ND1 3.32Å; N1273-K1438 VanDerWaalsContact OD1-CE 3.24Å; N1273-K1438 WeakPolarHBondContact OD1-CE 3.37Å
1274L45.8Very low46.1Very low104 Ų10477.8 Ų77.855%0.54540%0.402SS..Hα-helixtrans-79.3-19.5178.1-96.5142.6000114.2H1270 L1271 L1276H1270-L1274 WeakPolarHBondContact O-CB 3.48Å; H1270-L1274 WeakPolarHBondContact O-CD1 3.27Å; H1270-L1274 PolarHBondContact O-N 3.47Å; L1271-L1274 PolarHBondContact O-N 3.18Å; L1274-L1276 PolarHBondContact O-N 3.25Å
1275I50.2Low45.6Very low39 Ų3978.5 Ų78.520%0.241%0.41CS..THydrogen-bonded Turntrans-68.4-12.1167.9-67.3157.2000111.5L1271 L1426 I1440L1271-I1275 PolarHBondContact O-N 3.27Å; I1275-L1426 HydrophobicContact CD1-CB 4.41Å; I1275-L1426 HydrophobicContact CD1-CD2 3.34Å; I1275-L1426 HydrophobicContact CD1-CG 4.48Å; I1275-L1426 HydrophobicContact CG1-CD2 4.36Å; I1275-I1440 HydrophobicContact CG2-CD1 4.47Å
1276L45.6Very low45.6Very low48 Ų4874.3 Ų74.325%0.25140%0.396SS..THydrogen-bonded Turntrans-116.84.3-175.9-82.5139.6000115.5N1273 L1274 V1278 K1438 I1440N1273-L1276 PolarHBondContact O-N 2.99Å; L1274-L1276 PolarHBondContact O-N 3.25Å; L1276-V1278 PolarHBondContact O-N 2.93Å; L1276-K1438 HydrophobicContact CD1-CB 3.36Å; L1276-K1438 HydrophobicContact CD1-CD 4.01Å; L1276-K1438 HydrophobicContact CD1-CG 3.71Å; L1276-I1440 HydrophobicContact CD2-CD1 4.34Å; L1276-I1440 HydrophobicContact CD2-CG1 3.65Å; L1276-I1440 HydrophobicContact CG-CG1 4.23Å
1277H41.9Very low45.4Very low150 Ų15073.8 Ų73.869%0.69439%0.392SS*.  trans-91.460.5169.3-74.273.5000110.3N1273N1273-H1277 PolarHBondContact O-ND1 3.32Å
1278V45.9Very low45.5Very low62 Ų6276 Ų7638%0.37640%0.395SS..  trans-77.1125.7153.2179.70000105.3L1276 Q1282L1276-V1278 PolarHBondContact O-N 2.93Å; V1278-Q1282 HydrophobicContact CG1-CB 3.31Å
1279P38.9Very low45.6Very low44 Ų4480.6 Ų80.629%0.28642%0.416SS..  trans-50.7147.4176.4-22.631.2000110.2E1281 Q1282P1279-E1281 PolarHBondContact O-N 3.23Å; P1279-Q1282 PolarHBondContact O-N 2.93Å
1280P43.5Very low46Very low119 Ų11982.3 Ų82.377%0.77343%0.426SS*.G310 helixtrans-52.4-23.9-179.1-2432.6000113.5Q1282P1280-Q1282 PolarHBondContact O-N 3.24Å
1281E46.5Very low46.9Very low72 Ų7278.4 Ų78.434%0.33641%0.413SS..G310 helixtrans-75.7-10.1178-61.4179.9156.500115.3P17 P1279P17-E1281 HydrophobicContact CG-CB 4.34Å; P17-E1281 HydrophobicContact CG-CG 3.58Å; P17-E1281 WeakPolarHBondContact CG-OE1 3.19Å; P1279-E1281 PolarHBondContact O-N 3.23Å
1282Q42.8Very low47.9Very low120 Ų12079 Ų7956%0.56142%0.415SS*.G310 helixtrans-116.70.8179.8-80-169.7-3.200114.7V1278 P1279 P1280 T1284V1278-Q1282 HydrophobicContact CG1-CB 3.31Å; P1279-Q1282 PolarHBondContact O-N 2.93Å; P1280-Q1282 PolarHBondContact O-N 3.24Å; Q1282-T1284 PolarHBondContact O-N 3.06Å
1283Q43Very low49.1Very low129 Ų12978.6 Ų78.660%0.60341%0.412SS*.THydrogen-bonded Turntrans-67.7-13.6172.9-77.3-170.50.700113.5
1284T39.8Very low50.4Low107 Ų10777.4 Ų77.466%0.65641%0.405SS*.THydrogen-bonded Turntrans-96-5.3-175.947.80000114.6Q1282Q1282-T1284 PolarHBondContact O-N 3.06Å
1285T38.9Very low51.7Low65 Ų6572.8 Ų72.840%0.39938%0.381SS..  trans-113.546.3178.157.50000113.2I1287T1285-I1287 PolarHBondContact O-N 3Å
1286H45.4Very low52.8Low56 Ų5676.4 Ų76.426%0.25939%0.393SS..  trans-70.6109.1147.9-71.7-69.9000106.4K1288 I1294H1286-K1288 WeakPolarHBondContact O-CG 3.26Å; H1286-K1288 PolarHBondContact O-N 2.93Å; H1286-I1294 PolarHBondContact ND1-O 2.75Å
1287I43.4Very low54.3Low97 Ų9774.6 Ų74.650%0.49738%0.384SS..  trans-57.5102175.5-65.1165.5000107.4T1285 I1294T1285-I1287 PolarHBondContact O-N 3Å; I1287-I1294 HydrophobicContact CB-CB 4.44Å; I1287-I1294 HydrophobicContact CB-CD1 3.73Å; I1287-I1294 HydrophobicContact CB-CG1 4.07Å; I1287-I1294 HydrophobicContact CD1-CD1 4.07Å; I1287-I1294 HydrophobicContact CG1-CD1 4.48Å; I1287-I1294 HydrophobicContact CG2-CD1 3.85Å; I1287-I1294 HydrophobicContact CG2-CG1 4.47Å
1288K48.5Very low55.5Low99 Ų9969.3 Ų69.343%0.4336%0.363SS..EExtended strand (participates in β ladder)trans-89.8107.2-179.4-74.3168.6-174.6173.80108H1286 L1445H1286-K1288 WeakPolarHBondContact O-CG 3.26Å; H1286-K1288 PolarHBondContact O-N 2.93Å; K1288-L1445 HydrophobicContact CB-CD1 3.51Å; K1288-L1445 HydrophobicContact CB-CG 3.88Å; K1288-L1445 HydrophobicContact CD-CD1 4.3Å; K1288-L1445 HydrophobicContact CD-CD2 4.31Å; K1288-L1445 HydrophobicContact CD-CG 4.03Å; K1288-L1445 HydrophobicContact CG-CG 4.46Å
1289Q53.9Low56.8Low118 Ų11866.7 Ų66.755%0.55135%0.346SS*.EExtended strand (participates in β ladder)trans-107.9156.3162.1-74.5-177.4-20.800108.3S1291 M1292Q1289-S1291 PolarHBondContact O-N 2.77Å; Q1289-M1292 PolarHBondContact O-N 2.9Å; Q1289-M1292 VanDerWaalsContact O-N 3.08Å
1290D58.8Low58.4Low70 Ų7066.5 Ų66.537%0.37435%0.347SS..THydrogen-bonded Turntrans-52-16.2-164.3-57-40.8000115.9
1291S66.3Low59.5Low44 Ų4469.8 Ų69.831%0.30834%0.343SS..THydrogen-bonded Turntrans-141.514.3-179.260.60000115.7Q1289 L1416Q1289-S1291 PolarHBondContact O-N 2.77Å; S1291-L1416 WeakPolarHBondContact O-CB 3.46Å; S1291-L1416 PolarHBondContact O-N 2.79Å
1292M70.8Confident60.5Low44 Ų4467 Ų6722%0.21733%0.331CS..EExtended strand (participates in β ladder)trans-140.1151.5-175.6-56.7-173.5-167.300114.2Q1289 I1398 I1399 G1400 E1401Q1289-M1292 PolarHBondContact O-N 2.9Å; Q1289-M1292 VanDerWaalsContact O-N 3.08Å; M1292-I1398 HydrophobicContact CB-CG2 4.04Å; M1292-I1398 HydrophobicContact CG-CG2 4.38Å; M1292-I1398 HydrophobicContact SD-CG2 3.8Å; M1292-I1399 CarbonylContact C-O 3.53Å; M1292-I1399 WeakPolarHBondContact CA-O 3.39Å; M1292-I1399 WeakPolarHBondContact CB-O 3.43Å; M1292-G1400 WeakPolarHBondContact CE-O 3.38Å; M1292-E1401 HydrophobicContact SD-CB 4.33Å
1293I75.6Confident61.8Low5 Ų563.2 Ų63.23%0.02631%0.314CS..EExtended strand (participates in β ladder)trans-126.7120.6173.9-65.7166.8000109L1295 I1399 L1416 Y1422 I1424 T1444I1293-L1295 HydrophobicContact CG2-CG 4.43Å; I1293-I1399 HydrophobicContact CB-CB 4.38Å; I1293-I1399 PolarHBondContact N-O 3.31Å; I1293-I1399 PolarHBondContact O-N 3.32Å; I1293-L1416 HydrophobicContact CB-CD1 3.99Å; I1293-L1416 HydrophobicContact CD1-CD1 3.45Å; I1293-L1416 VanDerWaalsContact CD1-CD1 3.45Å; I1293-L1416 HydrophobicContact CG1-CD1 3.49Å; I1293-L1416 VanDerWaalsContact CG1-CD1 3.49Å; I1293-Y1422 HydrophobicContact CD1-CD2 4.26Å; I1293-I1424 HydrophobicContact CD1-CD1 4.28Å; I1293-I1424 HydrophobicContact CG2-CD1 4.19Å; I1293-T1444 HydrophobicContact CD1-CG2 4.44Å; I1293-T1444 HydrophobicContact CG1-CG2 4.39Å
1294I73.1Confident62.6Low33 Ų3366.6 Ų66.617%0.16932%0.323CS..EExtended strand (participates in β ladder)trans-91127176.1-50.3-164.2000110.5H1286 I1287 Y1396 I1398H1286-I1294 PolarHBondContact ND1-O 2.75Å; I1287-I1294 HydrophobicContact CB-CB 4.44Å; I1287-I1294 HydrophobicContact CB-CD1 3.73Å; I1287-I1294 HydrophobicContact CB-CG1 4.07Å; I1287-I1294 HydrophobicContact CD1-CD1 4.07Å; I1287-I1294 HydrophobicContact CG1-CD1 4.48Å; I1287-I1294 HydrophobicContact CG2-CD1 3.85Å; I1287-I1294 HydrophobicContact CG2-CG1 4.47Å; I1294-Y1396 HydrophobicContact CG2-CD1 4.25Å; I1294-I1398 HydrophobicContact CD1-CD1 4.16Å; I1294-I1398 HydrophobicContact CD1-CG1 4.12Å; I1294-I1398 HydrophobicContact CG1-CG1 4.01Å; I1294-I1398 HydrophobicContact CG1-CG2 4.26Å; I1294-I1398 HydrophobicContact CG2-CG1 4.25Å
1295L73.6Confident63.7Low8 Ų863 Ų634%0.04230%0.299CS..EExtended strand (participates in β ladder)trans-114.9136.6175.9-67.2167.7000110.8I1293 L1297 L1314 Y1396 F1397 I1399 I1424I1293-L1295 HydrophobicContact CG2-CG 4.43Å; L1295-L1297 HydrophobicContact CB-CD2 4.42Å; L1295-L1314 HydrophobicContact CD1-CD1 3.87Å; L1295-L1314 HydrophobicContact CD1-CD2 4.42Å; L1295-Y1396 CarbonylContact O-C 3.51Å; L1295-Y1396 WeakPolarHBondContact O-CA 3.47Å; L1295-F1397 PolarHBondContact N-O 2.84Å; L1295-F1397 PolarHBondContact O-N 2.83Å; L1295-I1399 HydrophobicContact CD1-CD1 3.42Å; L1295-I1399 VanDerWaalsContact CD1-CD1 3.42Å; L1295-I1399 HydrophobicContact CD1-CG1 4.03Å; L1295-I1399 HydrophobicContact CG-CD1 4.31Å; L1295-I1424 HydrophobicContact CD1-CD1 4.4Å; L1295-I1424 HydrophobicContact CD1-CG2 3.99Å; L1295-I1424 HydrophobicContact CD2-CD1 4.42Å
1296Y73.6Confident64.9Low115 Ų11562 Ų6245%0.45129%0.29SS..EExtended strand (participates in β ladder)trans-91.4123.7164.6-180-109.2000109.5P1298 D1394 Y1396Y1296-P1298 HydrophobicContact CE1-CB 3.93Å; Y1296-P1298 HydrophobicContact CE1-CG 4.4Å; Y1296-D1394 HydrophobicContact CE2-CB 4.33Å; Y1296-D1394 PolarHBondContact OH-OD2 3.01Å; Y1296-Y1396 AromaticContact CD2-CD1 3.97Å; Y1296-Y1396 HydrophobicContact CD2-CD1 3.97Å; Y1296-Y1396 HydrophobicContact CD2-CD2 4.16Å; Y1296-Y1396 AromaticContact CD2-CE1 3.62Å; Y1296-Y1396 HydrophobicContact CD2-CE1 3.62Å; Y1296-Y1396 AromaticContact CD2-CE2 3.82Å; Y1296-Y1396 HydrophobicContact CD2-CE2 3.82Å; Y1296-Y1396 HydrophobicContact CD2-CG 4.23Å; Y1296-Y1396 AromaticContact CD2-CZ 3.54Å; Y1296-Y1396 HydrophobicContact CE2-CE2 4.08Å; Y1296-Y1396 HydrophobicContact CG-CE1 4.17Å
1297L75.2Confident65.5Low9 Ų963.2 Ų63.25%0.04731%0.305CS..EExtended strand (participates in β ladder)trans-115.8102.2-178.8-59.6177.1000109.6L1295 L1299 L1314 I1367 D1394 K1395 F1397L1295-L1297 HydrophobicContact CB-CD2 4.42Å; L1297-L1299 HydrophobicContact CB-CD2 4.16Å; L1297-L1299 HydrophobicContact CB-CG 3.97Å; L1297-L1299 PolarHBondContact O-N 2.91Å; L1297-L1314 HydrophobicContact CD1-CD1 4.4Å; L1297-I1367 HydrophobicContact CD1-CG2 4.1Å; L1297-D1394 WeakPolarHBondContact O-CA 3.45Å; L1297-K1395 HydrophobicContact CB-CG 4.47Å; L1297-K1395 PolarHBondContact N-O 3.2Å; L1297-K1395 PolarHBondContact O-N 2.89Å; L1297-F1397 HydrophobicContact CD1-CB 3.73Å; L1297-F1397 HydrophobicContact CD1-CG 4.33Å; L1297-F1397 HydrophobicContact CG-CB 4.34Å
1298P68.3Low66.4Low39 Ų3960 Ų6025%0.25329%0.29SS..  trans-77.761.4178.832.3-35.3000112Y1296 S1300 R1301 D1394Y1296-P1298 HydrophobicContact CE1-CB 3.93Å; Y1296-P1298 HydrophobicContact CE1-CG 4.4Å; P1298-S1300 PolarHBondContact O-N 3.49Å; P1298-R1301 PolarHBondContact O-N 2.97Å; P1298-D1394 VanDerWaalsContact CA-CG 3.5Å; P1298-D1394 WeakPolarHBondContact CA-OD1 3.38Å
1299L73.4Confident67.4Low7 Ų755.3 Ų55.34%0.03727%0.269CS..G310 helixtrans-66.4-19.2-173.5-57.7176.1000113.5L1297 R1301 L1302 V1312 I1367 Y1392 D1394 K1395L1297-L1299 HydrophobicContact CB-CD2 4.16Å; L1297-L1299 HydrophobicContact CB-CG 3.97Å; L1297-L1299 PolarHBondContact O-N 2.91Å; L1299-R1301 PolarHBondContact O-N 3.1Å; L1299-R1301 VanDerWaalsContact O-N 3.08Å; L1299-L1302 HydrophobicContact CB-CD1 4.5Å; L1299-L1302 HydrophobicContact CD2-CD1 3.86Å; L1299-L1302 WeakPolarHBondContact O-CB 3.46Å; L1299-L1302 PolarHBondContact O-N 3.4Å; L1299-V1312 HydrophobicContact CD2-CG1 4.26Å; L1299-I1367 HydrophobicContact CD1-CG2 4.08Å; L1299-Y1392 WeakPolarHBondContact O-CB 3.17Å; L1299-D1394 PolarHBondContact N-OD1 2.93Å; L1299-D1394 VanDerWaalsContact N-OD1 3.12Å; L1299-K1395 HydrophobicContact CD1-CD 4.16Å; L1299-K1395 HydrophobicContact CD1-CG 4.12Å
1300S72Confident68.1Low41 Ų4151.1 Ų51.129%0.28725%0.249SC..G310 helixtrans-57.8-24.3177.867.80000113P1298 L1302 N1303 Y1392 D1394P1298-S1300 PolarHBondContact O-N 3.49Å; S1300-L1302 VanDerWaalsContact C-N 3.27Å; S1300-L1302 PolarHBondContact O-N 3.2Å; S1300-N1303 VanDerWaalsContact O-CB 3.28Å; S1300-N1303 WeakPolarHBondContact O-CB 3.47Å; S1300-N1303 PolarHBondContact O-N 3Å; S1300-N1303 PolarHBondContact O-ND2 2.84Å; S1300-Y1392 WeakPolarHBondContact CA-O 3.31Å; S1300-D1394 WeakPolarHBondContact CA-OD1 3.42Å; S1300-D1394 WeakPolarHBondContact CB-OD1 3.38Å; S1300-D1394 PolarHBondContact N-OD1 2.91Å; S1300-D1394 VanDerWaalsContact OG-CG 3.25Å; S1300-D1394 PolarHBondContact OG-OD1 3.13Å; S1300-D1394 PolarHBondContact OG-OD2 2.82Å
1301R66.6Low68.7Low187 Ų18748 Ų4871%0.70623%0.233SC*.G310 helixtrans-68.5-21.4174.8-58.5-66-176.21631.1113.6P1298 L1299 N1303P1298-R1301 PolarHBondContact O-N 2.97Å; L1299-R1301 PolarHBondContact O-N 3.1Å; L1299-R1301 VanDerWaalsContact O-N 3.08Å; R1301-N1303 PolarHBondContact O-N 3.26Å
1302L68.4Low69.3Low14 Ų1446 Ų467%0.07322%0.218CC..G310 helixtrans-75.8-10.9175-65.5168.1000113L1271 L1299 S1300 Y1304 F1305 I1306 V1312 Y1392L1271-L1302 HydrophobicContact CD2-CD2 3.62Å; L1271-L1302 HydrophobicContact CD2-CG 4.45Å; L1299-L1302 HydrophobicContact CB-CD1 4.5Å; L1299-L1302 HydrophobicContact CD2-CD1 3.86Å; L1299-L1302 WeakPolarHBondContact O-CB 3.46Å; L1299-L1302 PolarHBondContact O-N 3.4Å; S1300-L1302 VanDerWaalsContact C-N 3.27Å; S1300-L1302 PolarHBondContact O-N 3.2Å; L1302-Y1304 PolarHBondContact O-N 2.8Å; L1302-Y1304 VanDerWaalsContact O-N 3.15Å; L1302-F1305 CarbonylContact O-C 3.57Å; L1302-F1305 PolarHBondContact O-N 3.01Å; L1302-I1306 PolarHBondContact O-N 3.04Å; L1302-V1312 HydrophobicContact CD1-CG2 4.11Å; L1302-Y1392 HydrophobicContact CB-CD2 3.83Å; L1302-Y1392 HydrophobicContact CB-CE2 4.21Å; L1302-Y1392 HydrophobicContact CB-CG 4.17Å
1303N68.8Low69.7Low40 Ų4043.9 Ų43.921%0.21421%0.208CC..G310 helixtrans-60.1-24.1176.9-72.6-35.2000113.2S1300 R1301 F1305 I1306 L1391 Y1392S1300-N1303 VanDerWaalsContact O-CB 3.28Å; S1300-N1303 WeakPolarHBondContact O-CB 3.47Å; S1300-N1303 PolarHBondContact O-N 3Å; S1300-N1303 PolarHBondContact O-ND2 2.84Å; R1301-N1303 PolarHBondContact O-N 3.26Å; N1303-F1305 VanDerWaalsContact C-N 3.27Å; N1303-F1305 PolarHBondContact O-N 2.75Å; N1303-I1306 WeakPolarHBondContact O-CB 3.5Å; N1303-I1306 WeakPolarHBondContact O-CG2 3.26Å; N1303-I1306 PolarHBondContact O-N 2.81Å; N1303-L1391 HydrophobicContact CB-CD2 3.98Å; N1303-L1391 WeakPolarHBondContact OD1-CA 3.37Å; N1303-L1391 WeakPolarHBondContact OD1-CD2 3.15Å; N1303-Y1392 PolarHBondContact ND2-O 2.76Å; N1303-Y1392 WeakPolarHBondContact OD1-CA 3.46Å; N1303-Y1392 WeakPolarHBondContact OD1-CB 3.39Å; N1303-Y1392 WeakPolarHBondContact OD1-CD2 3.45Å; N1303-Y1392 PolarHBondContact OD1-N 2.81Å
1304Y60.7Low70Confident200 Ų20043.8 Ų43.878%0.78421%0.207SC*.G310 helixtrans-68.9-26.3174.5-166.5-93.3000112.8L1302L1302-Y1304 PolarHBondContact O-N 2.8Å; L1302-Y1304 VanDerWaalsContact O-N 3.15Å
1305F62.2Low70.2Confident33 Ų3342.6 Ų42.615%0.14520%0.202CC..G310 helixtrans-109.223.3-179.9-54-87.1000111.7L1268 L1271 L1302 N1303 S1307 T1308 V1309L1268-F1305 HydrophobicContact CD1-CD1 3.98Å; L1268-F1305 HydrophobicContact CD1-CE1 4.27Å; L1268-F1305 HydrophobicContact CD1-CG 4.33Å; L1271-F1305 HydrophobicContact CD1-CD2 4.07Å; L1271-F1305 HydrophobicContact CD1-CE2 3.14Å; L1271-F1305 HydrophobicContact CD1-CZ 3.51Å; L1271-F1305 HydrophobicContact CD2-CD2 3.7Å; L1271-F1305 HydrophobicContact CD2-CE2 3.62Å; L1271-F1305 HydrophobicContact CG-CE2 3.99Å; L1302-F1305 CarbonylContact O-C 3.57Å; L1302-F1305 PolarHBondContact O-N 3.01Å; N1303-F1305 VanDerWaalsContact C-N 3.27Å; N1303-F1305 PolarHBondContact O-N 2.75Å; F1305-S1307 PolarHBondContact O-N 3.48Å; F1305-S1307 VanDerWaalsContact O-N 3.12Å; F1305-T1308 PolarHBondContact O-N 2.86Å; F1305-T1308 PolarHBondContact O-OG1 3.32Å; F1305-V1309 HydrophobicContact CB-CG2 4.09Å; F1305-V1309 PolarHBondContact O-N 3.38Å
1306I64.1Low70.6Confident42 Ų4242.3 Ų42.322%0.21520%0.2CC..THydrogen-bonded Turntrans-59.1-29.7-171.8-166.2159.1000112.5L1302 N1303 R1370 Y1390 L1391 Y1392L1302-I1306 PolarHBondContact O-N 3.04Å; N1303-I1306 WeakPolarHBondContact O-CB 3.5Å; N1303-I1306 WeakPolarHBondContact O-CG2 3.26Å; N1303-I1306 PolarHBondContact O-N 2.81Å; I1306-R1370 PolarHBondContact O-NH1 2.82Å; I1306-Y1390 VanDerWaalsContact CD1-O 3.24Å; I1306-Y1390 WeakPolarHBondContact CD1-O 3.4Å; I1306-L1391 HydrophobicContact CD1-CD2 4.17Å; I1306-Y1392 HydrophobicContact CG1-CE2 4.19Å
1307S58.3Low70.6Confident82 Ų8240.7 Ų40.757%0.57320%0.195SC*.THydrogen-bonded Turntrans-72.8-24.5178.551.40000114.1F1305 Y1310F1305-S1307 PolarHBondContact O-N 3.48Å; F1305-S1307 VanDerWaalsContact O-N 3.12Å; S1307-Y1310 WeakPolarHBondContact O-CE1 3.42Å; S1307-Y1310 PolarHBondContact O-OH 2.93Å
1308T62Low70.6Confident29 Ų2941 Ų4118%0.17820%0.198CC..THydrogen-bonded Turntrans-108.6-28.3-173.4540000113.7F1305 T1430F1305-T1308 PolarHBondContact O-N 2.86Å; F1305-T1308 PolarHBondContact O-OG1 3.32Å; T1308-T1430 VanDerWaalsContact O-CA 3.23Å; T1308-T1430 WeakPolarHBondContact O-CA 3Å; T1308-T1430 WeakPolarHBondContact O-CB 3.45Å; T1308-T1430 VanDerWaalsContact O-CG2 3.29Å; T1308-T1430 WeakPolarHBondContact O-CG2 3.36Å
1309V70.1Confident70.5Confident1 Ų141.7 Ų41.71%0.00620%0.201CC..  trans-93.5117.4179.9-1790000111.3F1305 V1312 Y1392 T1428 T1430F1305-V1309 HydrophobicContact CB-CG2 4.09Å; F1305-V1309 PolarHBondContact O-N 3.38Å; V1309-V1312 HydrophobicContact CG1-CG2 4.03Å; V1309-Y1392 PolarHBondContact O-OH 2.92Å; V1309-T1428 HydrophobicContact CG1-CG2 4.22Å; V1309-T1430 HydrophobicContact CG2-CG2 4.34Å
1310Y68Low69.6Low30 Ų3052.1 Ų52.112%0.11824%0.24CC..  trans-104.8-33.7-176.1-53.4-52.7000114.4S1307 R1370 M1386 Y1429 E1431S1307-Y1310 WeakPolarHBondContact O-CE1 3.42Å; S1307-Y1310 PolarHBondContact O-OH 2.93Å; Y1310-R1370 PolarHBondContact O-N 2.82Å; Y1310-M1386 HydrophobicContact CD1-CE 3.38Å; Y1310-M1386 HydrophobicContact CD1-SD 4.07Å; Y1310-M1386 HydrophobicContact CE1-CE 3.04Å; Y1310-M1386 HydrophobicContact CE1-SD 3.72Å; Y1310-M1386 HydrophobicContact CE2-CE 4.29Å; Y1310-M1386 HydrophobicContact CG-CE 4.18Å; Y1310-Y1429 PolarHBondContact N-O 3.46Å; Y1310-E1431 HydrophobicContact CE2-CB 3.75Å; Y1310-E1431 HydrophobicContact CE2-CG 4.13Å; Y1310-E1431 VanDerWaalsContact CE2-N 3.29Å
1311V72.1Confident68.6Low6 Ų656.8 Ų56.84%0.03626%0.257CS..EExtended strand (participates in β ladder)trans-135136.1-177.7-178.50000109.9L1347 L1366 L1371 T1428 Y1429V1311-L1347 HydrophobicContact CG1-CD2 4.38Å; V1311-L1366 HydrophobicContact CG1-CD1 3.44Å; V1311-L1366 VanDerWaalsContact CG1-CD1 3.44Å; V1311-L1371 HydrophobicContact CG2-CD1 3.81Å; V1311-T1428 WeakPolarHBondContact O-CA 3.31Å; V1311-Y1429 HydrophobicContact CB-CD2 3.88Å; V1311-Y1429 HydrophobicContact CB-CG 4.2Å; V1311-Y1429 HydrophobicContact CG1-CD2 3.95Å; V1311-Y1429 HydrophobicContact CG1-CE2 4.44Å; V1311-Y1429 PolarHBondContact O-N 2.87Å
1312V77.8Confident67.4Low0 Ų052.7 Ų52.70%026%0.257CS..EExtended strand (participates in β ladder)trans-122.8127.9174.5-174.60000108.7L1299 L1302 V1309 I1367 H1368 Y1392 L1426 T1428L1299-V1312 HydrophobicContact CD2-CG1 4.26Å; L1302-V1312 HydrophobicContact CD1-CG2 4.11Å; V1309-V1312 HydrophobicContact CG1-CG2 4.03Å; V1312-I1367 HydrophobicContact CG1-CB 4.45Å; V1312-I1367 WeakPolarHBondContact O-CA 3.38Å; V1312-I1367 WeakPolarHBondContact O-CB 3.37Å; V1312-I1367 PolarHBondContact O-N 3.12Å; V1312-H1368 HydrophobicContact CB-CB 4.37Å; V1312-H1368 PolarHBondContact N-O 2.82Å; V1312-H1368 PolarHBondContact O-N 2.69Å; V1312-H1368 VanDerWaalsContact O-N 3.09Å; V1312-Y1392 HydrophobicContact CG2-CE1 4.02Å; V1312-L1426 HydrophobicContact CG1-CD1 3.74Å; V1312-L1426 HydrophobicContact CG1-CD2 4.32Å; V1312-L1426 HydrophobicContact CG1-CG 4.18Å; V1312-T1428 HydrophobicContact CG1-CG2 4.45Å; V1312-T1428 HydrophobicContact CG2-CG2 4.3Å
1313S79.6Confident66Low0 Ų060.2 Ų60.20%029%0.292CS..EExtended strand (participates in β ladder)trans-141159.2-17863.70000112.5E1364 I1365 R1427S1313-E1364 PolarHBondContact OG-OE1 2.69Å; S1313-I1365 CarbonylContact C-O 3.5Å; S1313-I1365 WeakPolarHBondContact CA-O 3.36Å; S1313-I1365 WeakPolarHBondContact CB-O 3.36Å; S1313-R1427 PolarHBondContact N-O 2.96Å; S1313-R1427 PolarHBondContact O-N 3.14Å
1314L81.8Confident64.6Low3 Ų365.9 Ų65.92%0.01632%0.322CS..EExtended strand (participates in β ladder)trans-109124.6173.1-77.7174.5000110.3L1295 L1297 E1364 I1365 I1367 F1397 I1399 I1424 Q1425 L1426L1295-L1314 HydrophobicContact CD1-CD1 3.87Å; L1295-L1314 HydrophobicContact CD1-CD2 4.42Å; L1297-L1314 HydrophobicContact CD1-CD1 4.4Å; L1314-E1364 CarbonylContact O-C 3.54Å; L1314-E1364 VanDerWaalsContact O-CA 3.29Å; L1314-E1364 WeakPolarHBondContact O-CA 3.46Å; L1314-I1365 PolarHBondContact N-O 2.9Å; L1314-I1365 PolarHBondContact O-N 2.84Å; L1314-I1367 HydrophobicContact CB-CD1 4.29Å; L1314-I1367 HydrophobicContact CB-CG1 4.3Å; L1314-I1367 HydrophobicContact CD1-CD1 3.63Å; L1314-I1367 HydrophobicContact CD1-CG1 4.14Å; L1314-I1367 HydrophobicContact CG-CD1 3.86Å; L1314-I1367 HydrophobicContact CG-CG1 3.82Å; L1314-F1397 HydrophobicContact CD1-CD1 3.61Å; L1314-F1397 HydrophobicContact CD1-CE1 3.96Å; L1314-F1397 HydrophobicContact CD1-CG 4.34Å; L1314-I1399 HydrophobicContact CD1-CD1 4.44Å; L1314-I1424 HydrophobicContact CD2-CG2 3.97Å; L1314-Q1425 CarbonylContact C-O 3.58Å; L1314-Q1425 WeakPolarHBondContact CA-O 3.36Å; L1314-L1426 HydrophobicContact CD2-CB 4.42Å; L1314-L1426 HydrophobicContact CD2-CD1 3.77Å; L1314-L1426 HydrophobicContact CG-CD1 4.28Å
1315V78.6Confident63.4Low9 Ų964.3 Ų64.36%0.05533%0.327CS..EExtended strand (participates in β ladder)trans-97.4126.3172.8-176.70000109.2E1364 I1424 Q1425 R1427V1315-E1364 HydrophobicContact CG2-CG 4.11Å; V1315-E1364 WeakPolarHBondContact CG2-OE1 3.49Å; V1315-I1424 CarbonylContact O-C 3.58Å; V1315-I1424 WeakPolarHBondContact O-CA 3.32Å; V1315-Q1425 HydrophobicContact CB-CB 4.44Å; V1315-Q1425 PolarHBondContact N-O 3.14Å; V1315-Q1425 PolarHBondContact O-N 2.83Å; V1315-R1427 HydrophobicContact CG2-CB 4.34Å
1316I80.5Confident62.5Low1 Ų169.1 Ų69.11%0.00535%0.35CS..EExtended strand (participates in β ladder)trans-127.4129-173.2-55152.9000109.9S1362 W1363 I1365 I1399 Y1422 S1423 I1424I1316-S1362 CarbonylContact O-C 3.59Å; I1316-S1362 WeakPolarHBondContact O-CA 3.46Å; I1316-S1362 WeakPolarHBondContact O-CB 3.34Å; I1316-W1363 HydrophobicContact CB-CD2 4.12Å; I1316-W1363 HydrophobicContact CB-CE3 4.19Å; I1316-W1363 HydrophobicContact CB-CH2 3.93Å; I1316-W1363 HydrophobicContact CB-CZ2 3.85Å; I1316-W1363 HydrophobicContact CB-CZ3 4.1Å; I1316-W1363 HydrophobicContact CD1-CZ2 3.84Å; I1316-W1363 HydrophobicContact CG1-CZ2 4.46Å; I1316-W1363 HydrophobicContact CG2-CE3 4.3Å; I1316-W1363 HydrophobicContact CG2-CH2 3.28Å; I1316-W1363 HydrophobicContact CG2-CZ2 3.55Å; I1316-W1363 HydrophobicContact CG2-CZ3 3.7Å; I1316-W1363 PolarHBondContact N-O 3.11Å; I1316-W1363 PolarHBondContact O-N 2.93Å; I1316-I1365 HydrophobicContact CD1-CD1 3.34Å; I1316-I1365 HydrophobicContact CD1-CG1 3.86Å; I1316-I1399 HydrophobicContact CD1-CD1 3.89Å; I1316-I1399 HydrophobicContact CD1-CG1 4.29Å; I1316-I1399 HydrophobicContact CD1-CG2 3.78Å; I1316-I1399 HydrophobicContact CG1-CD1 4.14Å; I1316-Y1422 HydrophobicContact CG2-CD1 3.78Å; I1316-Y1422 HydrophobicContact CG2-CG 4.31Å; I1316-S1423 WeakPolarHBondContact CA-O 3.4Å; I1316-I1424 HydrophobicContact CG2-CG1 4.47Å
1317K75.3Confident61.6Low82 Ų8272.6 Ų72.636%0.35737%0.368SS..EExtended strand (participates in β ladder)trans-141.1138.8-178.2176.5179.6177.8176.80111.9I1328 Y1422 S1423K1317-I1328 HydrophobicContact CD-CD1 3.92Å; K1317-Y1422 CarbonylContact O-C 3.58Å; K1317-Y1422 WeakPolarHBondContact O-CA 3.34Å; K1317-S1423 WeakPolarHBondContact CB-OG 3.39Å; K1317-S1423 PolarHBondContact N-O 3.24Å; K1317-S1423 PolarHBondContact O-N 2.92Å; K1317-S1423 PolarHBondContact O-OG 2.93Å
1318P74Confident61.1Low16 Ų1671.6 Ų71.610%0.10436%0.356CS..EExtended strand (participates in β ladder)trans-68.4134.8170.4-12.326.3000111.9R1320 T1420 Q1421 Y1422P1318-R1320 PolarHBondContact O-N 3.44Å; P1318-T1420 HydrophobicContact CB-CG2 4.12Å; P1318-Q1421 CarbonylContact C-O 3.39Å; P1318-Q1421 WeakPolarHBondContact CA-O 3.39Å; P1318-Y1422 HydrophobicContact CB-CD1 4.45Å; P1318-Y1422 HydrophobicContact CB-CE1 4.3Å; P1318-Y1422 HydrophobicContact CG-CD1 4.29Å; P1318-Y1422 HydrophobicContact CG-CE1 3.89Å
1319T66.8Low60.5Low52 Ų5271 Ų7132%0.31935%0.352SS..THydrogen-bonded Turntrans-82-9.4-168.5-27.20000114.8Q1421 Y1422 S1423T1319-Q1421 PolarHBondContact N-O 3.17Å; T1319-Q1421 WeakPolarHBondContact OG1-CB 3.46Å; T1319-Q1421 VanDerWaalsContact OG1-CG 3.27Å; T1319-Q1421 WeakPolarHBondContact OG1-CG 3.42Å; T1319-Q1421 PolarHBondContact OG1-O 2.93Å; T1319-Y1422 PolarHBondContact OG1-N 2.81Å; T1319-S1423 PolarHBondContact OG1-N 2.82Å
1320R53.9Low59.5Low227 Ų22775.2 Ų75.286%0.85738%0.382SS*.THydrogen-bonded Turntrans-108.817.1-163.1-101.7-171.5-175.9-171.11.2118.1P1318P1318-R1320 PolarHBondContact O-N 3.44Å
1321E52Low58.5Low138 Ų13879.7 Ų79.765%0.64540%0.404SS*.  trans-134.1116.6169.9-73.4-179.6-158.200111.4N1360E1321-N1360 PolarHBondContact OE1-ND2 3.32Å; E1321-N1360 PolarHBondContact OE2-ND2 3.11Å
1322S39.8Very low57.3Low101 Ų10180.4 Ų80.471%0.70641%0.413SS*.  trans-89.4148.5176.358.70000110.8
1323H39Very low55.9Low172 Ų17282.5 Ų82.580%0.79643%0.427SS*.  trans91.181.4171.4-59.427.4000114.9
1324D39.6Very low54.5Low159 Ų15986.2 Ų86.285%0.8545%0.45SS*.  -173.3139.8114.7-90.7-22.9000109.9E1326D1324-E1326 PolarHBondContact O-N 3Å
1325D36.5Very low53Low167 Ų16791.7 Ų91.789%0.89347%0.471SS*.  trans-68.8110.5-166-69.9-50.7000113.6
1326E42.5Very low51.4Low134 Ų13498 Ų9863%0.62650%0.497SS*.  trans-135.4119.9147.7-156.7175-174.200107.6D1324 I1328D1324-E1326 PolarHBondContact O-N 3Å; E1326-I1328 PolarHBondContact O-N 3.15Å
1327I45.6Very low49.9Very low116 Ų116100.8 Ų100.860%0.59551%0.511SS*.  trans-63.188.3-164.4-61.7165.2000110.4C1329I1327-C1329 PolarHBondContact O-N 2.85Å
1328I47.2Very low48.3Very low61 Ų61104.5 Ų104.531%0.31353%0.529SS..  trans-77.7102.2158.1-59.2174.4000105.6K1317 E1326 S1330K1317-I1328 HydrophobicContact CD-CD1 3.92Å; E1326-I1328 PolarHBondContact O-N 3.15Å; I1328-S1330 PolarHBondContact O-N 3.49Å; I1328-S1330 VanDerWaalsContact O-N 3.17Å
1329C50.3Low46.6Very low15 Ų15113.3 Ų113.310%0.10156%0.562CS.*  trans-40.6116.5170.8-89.90000111.8I1327 C1333I1327-C1329 PolarHBondContact O-N 2.85Å; C1329-C1333 HydrophobicContact CB-CB 3.33Å; C1329-C1333 VanDerWaalsContact SG-CB 3.53Å
1330S47.9Very low45.5Very low91 Ų91117.4 Ų117.464%0.63658%0.582SS**  trans-59.3155.4170.747.50000110.6I1328 G1332 C1333I1328-S1330 PolarHBondContact O-N 3.49Å; I1328-S1330 VanDerWaalsContact O-N 3.17Å; S1330-G1332 PolarHBondContact O-N 2.93Å; S1330-C1333 VanDerWaalsContact O-CB 3.29Å; S1330-C1333 WeakPolarHBondContact O-CB 3.47Å; S1330-C1333 PolarHBondContact O-N 2.87Å; S1330-C1333 PolarHBondContact O-SG 3.1Å
1331E47.9Very low45.1Very low123 Ų123110.4 Ų110.458%0.57556%0.561SS**THydrogen-bonded Turntrans-31.1127.6-171-66.8-171.8155.900115.5C1333 K1438E1331-C1333 PolarHBondContact O-N 2.86Å; E1331-K1438 HydrophobicContact CG-CB 4.31Å; E1331-K1438 HydrophobicContact CG-CG 4.22Å; E1331-K1438 WeakPolarHBondContact OE1-CB 3.5Å; E1331-K1438 WeakPolarHBondContact OE1-CD 3.31Å
1332G46.3Very low44.8Very low22 Ų22107.1 Ų107.123%0.22755%0.547CS..THydrogen-bonded Turntrans7713.5173.500000116S1330S1330-G1332 PolarHBondContact O-N 2.93Å
1333C49.2Very low45Very low44 Ų44107.6 Ų107.630%0.29755%0.546SS..PPolyproline II helixtrans-83.1125.4177.6-93.30000113.1C1329 S1330 E1331C1329-C1333 HydrophobicContact CB-CB 3.33Å; C1329-C1333 VanDerWaalsContact SG-CB 3.53Å; S1330-C1333 VanDerWaalsContact O-CB 3.29Å; S1330-C1333 WeakPolarHBondContact O-CB 3.47Å; S1330-C1333 PolarHBondContact O-N 2.87Å; S1330-C1333 PolarHBondContact O-SG 3.1Å; E1331-C1333 PolarHBondContact O-N 2.86Å
1334T48.7Very low45.2Very low78 Ų78103.4 Ų103.448%0.47953%0.53SS..PPolyproline II helixtrans-96.9124.2167.7-15.10000109.3Y1434T1334-Y1434 WeakPolarHBondContact CA-O 3.47Å
1335R50.8Low45.6Very low118 Ų11898.9 Ų98.945%0.44551%0.505SS..EExtended strand (participates in β ladder)trans-94.9120.4167.3-98.8-158.6-176.8-168.5-1.8109.3M1337 G1433 Y1434R1335-M1337 PolarHBondContact O-N 3.13Å; R1335-G1433 WeakPolarHBondContact O-CA 3.45Å; R1335-Y1434 HydrophobicContact CB-CD1 4.33Å; R1335-Y1434 HydrophobicContact CB-CE1 3.75Å; R1335-Y1434 WeakPolarHBondContact CD-OH 3.32Å; R1335-Y1434 HydrophobicContact CG-CE1 4.44Å; R1335-Y1434 PolarHBondContact N-O 3.05Å; R1335-Y1434 PolarHBondContact O-N 3.28Å
1336K46.5Very low46.1Very low141 Ų14199.1 Ų99.161%0.61349%0.494SS*.EExtended strand (participates in β ladder)trans-69.3121.8168.5-74-173.6179.6-179.90108.9Y1174 E1261 Y1432Y1174-K1336 PolarHBondContact OH-NZ 3.04Å; E1261-K1336 IonicContact OE1-NZ 3.54Å; E1261-K1336 PolarHBondContact OE1-NZ 2.71Å; K1336-Y1432 WeakPolarHBondContact CA-O 3.37Å
1337M47.2Very low46.6Very low59 Ų5993.3 Ų93.329%0.29147%0.468SS..PPolyproline II helixtrans-77.4134.3170.3-80178.471.600109R1335 D1341 Y1432R1335-M1337 PolarHBondContact O-N 3.13Å; M1337-D1341 HydrophobicContact CE-CB 4.09Å; M1337-Y1432 PolarHBondContact N-O 2.78Å
1338H41.7Very low46.9Very low160 Ų16090.1 Ų90.174%0.74145%0.453SS*.PPolyproline II helixtrans-67.8137.8174.4-109.9-93.4000109.3N1340 D1341H1338-N1340 PolarHBondContact O-N 2.89Å; H1338-D1341 PolarHBondContact O-N 2.87Å
1339Y38.7Very low47Very low201 Ų20194 Ų9479%0.78847%0.47SS*.THydrogen-bonded Turntrans-53.4-14.2-171-172.7-98.8000116.1
1340N43.5Very low47.1Very low138 Ų13894.2 Ų94.274%0.73847%0.472SS*.THydrogen-bonded Turntrans-93.6-2.2178-73.2-18000114.9H1338H1338-N1340 PolarHBondContact O-N 2.89Å
1341D46.4Very low47.6Very low81 Ų8190.9 Ų90.943%0.43345%0.448SS..  trans-100.15.3-176-71.7-27.9000114.5M1337 H1338 T1343 D1344M1337-D1341 HydrophobicContact CE-CB 4.09Å; H1338-D1341 PolarHBondContact O-N 2.87Å; D1341-T1343 PolarHBondContact O-N 2.85Å; D1341-D1344 CarbonylContact O-C 3.6Å; D1341-D1344 PolarHBondContact O-N 3Å
1342I45.7Very low48.2Very low68 Ų6886.4 Ų86.435%0.34943%0.426SS..THydrogen-bonded Turntrans-67.9-18.1179.5-67.4171.4000112.3D1344 Y1384I1342-D1344 PolarHBondContact O-N 2.69Å; I1342-Y1384 PolarHBondContact O-OH 3.15Å
1343T44.2Very low48.7Very low111 Ų11189 Ų8968%0.68143%0.431SS*.THydrogen-bonded Turntrans-80.1-2.8171.946.30000114.1D1341D1341-T1343 PolarHBondContact O-N 2.85Å
1344D42.9Very low49.1Very low85 Ų8590.6 Ų90.646%0.45544%0.436SS..  trans-139.257.7-173-85.4-22.8000109D1341 I1342 Y1346D1341-D1344 CarbonylContact O-C 3.6Å; D1341-D1344 PolarHBondContact O-N 3Å; I1342-D1344 PolarHBondContact O-N 2.69Å; D1344-Y1346 HydrophobicContact CB-CD2 3.69Å; D1344-Y1346 HydrophobicContact CB-CE2 3.87Å; D1344-Y1346 VanDerWaalsContact CG-CE2 3.45Å; D1344-Y1346 PolarHBondContact O-N 3.4Å; D1344-Y1346 WeakPolarHBondContact OD1-CE2 3.4Å
1345I48.9Very low49.6Very low63 Ų6387.4 Ų87.432%0.32342%0.416SS..  trans-66.469.3158.1-54176.6000107.1L1347 L1371I1345-L1347 VanDerWaalsContact C-N 3.25Å; I1345-L1347 PolarHBondContact O-N 3.45Å; I1345-L1371 HydrophobicContact CD1-CD1 3.65Å
1346Y47Very low49.8Very low173 Ų17387.9 Ų87.968%0.67842%0.423SS*.  trans-70.293.3159.6-79.3-83.5000105.2D1344 V1348D1344-Y1346 HydrophobicContact CB-CD2 3.69Å; D1344-Y1346 HydrophobicContact CB-CE2 3.87Å; D1344-Y1346 VanDerWaalsContact CG-CE2 3.45Å; D1344-Y1346 PolarHBondContact O-N 3.4Å; D1344-Y1346 WeakPolarHBondContact OD1-CE2 3.4Å; Y1346-V1348 PolarHBondContact O-N 3.34Å
1347L52.3Low50.3Low12 Ų1287 Ų876%0.06342%0.424CS..  trans-41129.2154.1-74.1159000106.9V1311 I1345 E1349 E1364 L1366 H1410 Y1429V1311-L1347 HydrophobicContact CG1-CD2 4.38Å; I1345-L1347 VanDerWaalsContact C-N 3.25Å; I1345-L1347 PolarHBondContact O-N 3.45Å; L1347-E1349 PolarHBondContact O-N 3.42Å; L1347-E1364 WeakPolarHBondContact CA-OE2 3.29Å; L1347-E1364 HydrophobicContact CD2-CG 4.25Å; L1347-L1366 HydrophobicContact CD1-CB 4.35Å; L1347-L1366 HydrophobicContact CD1-CD1 4.21Å; L1347-H1410 HydrophobicContact CD1-CB 3.67Å; L1347-H1410 WeakPolarHBondContact CD1-ND1 3.48Å; L1347-Y1429 HydrophobicContact CD2-CE2 4.07Å
1348V51.8Low50.8Low49 Ų4992 Ų9230%0.29745%0.445SS..SBendtrans-46.6135.1-163.5169.90000110.4Y1346 S1350 E1364Y1346-V1348 PolarHBondContact O-N 3.34Å; V1348-S1350 PolarHBondContact O-N 3.5Å; V1348-E1364 PolarHBondContact N-OE2 3.47Å
1349E48.4Very low51.4Low143 Ų14392.2 Ų92.267%0.66844%0.443SS*.SBendtrans-41.4106.2176.2-71.7-168.8152.100111.4L1347L1347-E1349 PolarHBondContact O-N 3.42Å
1350S52.9Low52.3Low18 Ų1885.5 Ų85.513%0.12642%0.421CS..  trans137.864.4139.661.20000113.9V1348 Y1352 N1354 S1362 W1363V1348-S1350 PolarHBondContact O-N 3.5Å; S1350-Y1352 PolarHBondContact O-N 2.83Å; S1350-N1354 VanDerWaalsContact CB-CB 3.4Å; S1350-S1362 PolarHBondContact OG-O 2.8Å; S1350-W1363 WeakPolarHBondContact O-CA 3.28Å; S1350-W1363 WeakPolarHBondContact O-CB 3.48Å
1351T58.1Low53.2Low22 Ų2279.9 Ų79.914%0.13540%0.396CS..  trans-40.2100.9156.448.10000111K1353 N1354 H1410T1351-K1353 PolarHBondContact O-N 3.26Å; T1351-N1354 PolarHBondContact O-N 2.83Å; T1351-H1410 WeakPolarHBondContact CG2-ND1 3.24Å
1352Y60.9Low54.3Low29 Ų2977.4 Ų77.411%0.11439%0.385CS..THydrogen-bonded Turntrans21.2-51.7176.9-168.8-94.8000120.6S1350 N1354 R1355 H1356 W1363 C1412 G1414 P1415S1350-Y1352 PolarHBondContact O-N 2.83Å; Y1352-N1354 VanDerWaalsContact C-N 3.26Å; Y1352-N1354 PolarHBondContact O-N 2.74Å; Y1352-R1355 WeakPolarHBondContact O-CA 3.28Å; Y1352-R1355 VanDerWaalsContact O-CB 3.31Å; Y1352-R1355 WeakPolarHBondContact O-CB 3.36Å; Y1352-R1355 PolarHBondContact O-N 2.83Å; Y1352-H1356 PolarHBondContact O-N 2.86Å; Y1352-W1363 HydrophobicContact CD2-CD2 4.46Å; Y1352-C1412 WeakPolarHBondContact CB-SG 3.45Å; Y1352-G1414 VanDerWaalsContact CE2-CA 3.41Å; Y1352-G1414 WeakPolarHBondContact CE2-O 3.18Å; Y1352-G1414 VanDerWaalsContact CZ-C 3.45Å; Y1352-G1414 VanDerWaalsContact CZ-CA 3.49Å; Y1352-P1415 WeakPolarHBondContact CE2-O 3.27Å; Y1352-P1415 WeakPolarHBondContact OH-CD 3.38Å; Y1352-P1415 VanDerWaalsContact OH-CG 3.3Å; Y1352-P1415 WeakPolarHBondContact OH-CG 3.44Å; Y1352-P1415 VanDerWaalsContact OH-N 3.16Å; Y1352-P1415 PolarHBondContact OH-O 2.95Å
1353K56.1Low55.6Low76 Ų7674.3 Ų74.333%0.3337%0.368SS..Hα-helixtrans-60.5-32.6179.4-139.8174.9-175.5173.10112.6T1351 H1356 N1357 Y1407T1351-K1353 PolarHBondContact O-N 3.26Å; K1353-H1356 PolarHBondContact O-N 3.42Å; K1353-N1357 PolarHBondContact O-N 3.43Å; K1353-N1357 VanDerWaalsContact O-N 3.15Å; K1353-Y1407 HydrophobicContact CD-CD1 4.49Å; K1353-Y1407 HydrophobicContact CD-CE1 4.47Å; K1353-Y1407 VanDerWaalsContact NZ-CD2 3.26Å
1354N57.5Low57.1Low78 Ų7869.3 Ų69.342%0.41734%0.337SS..Hα-helixtrans-69.8-34.4172.6-86.5-13000112.6S1350 T1351 Y1352 N1357 K1358S1350-N1354 VanDerWaalsContact CB-CB 3.4Å; T1351-N1354 PolarHBondContact O-N 2.83Å; Y1352-N1354 VanDerWaalsContact C-N 3.26Å; Y1352-N1354 PolarHBondContact O-N 2.74Å; N1354-N1357 PolarHBondContact O-N 2.85Å; N1354-K1358 WeakPolarHBondContact O-CB 3.08Å; N1354-K1358 PolarHBondContact O-N 3.05Å
1355R60.9Low58.8Low11 Ų1165.3 Ų65.34%0.04232%0.316CS..Hα-helixtrans-62.7-42168.1163.7-174.8174.5-131.9-11.1111.5Y1352 N1357 K1358 K1359 G1361 W1363 Y1422Y1352-R1355 WeakPolarHBondContact O-CA 3.28Å; Y1352-R1355 VanDerWaalsContact O-CB 3.31Å; Y1352-R1355 WeakPolarHBondContact O-CB 3.36Å; Y1352-R1355 PolarHBondContact O-N 2.83Å; R1355-N1357 VanDerWaalsContact C-N 3.25Å; R1355-N1357 PolarHBondContact O-N 2.88Å; R1355-K1358 PolarHBondContact O-N 2.89Å; R1355-K1359 WeakPolarHBondContact O-CA 3.26Å; R1355-K1359 PolarHBondContact O-N 2.88Å; R1355-G1361 VanDerWaalsContact CD-O 3.32Å; R1355-G1361 WeakPolarHBondContact CD-O 3.41Å; R1355-G1361 WeakPolarHBondContact CG-O 3.31Å; R1355-W1363 HydrophobicContact CG-CE3 4.5Å; R1355-W1363 VanDerWaalsContact CZ-CZ3 3.41Å; R1355-Y1422 PolarHBondContact NH2-OH 2.89Å
1356H54.7Low60.1Low128 Ų12863.4 Ų63.459%0.59331%0.307SS*.Hα-helixtrans-62.5-34.4179.3-161.4-64.3000111.8Y1352 K1353Y1352-H1356 PolarHBondContact O-N 2.86Å; K1353-H1356 PolarHBondContact O-N 3.42Å
1357N56.7Low61.6Low122 Ų12255.8 Ų55.865%0.65228%0.277SS*.Hα-helixtrans-80.6-38.1176.5-72.4-16.9000113.7K1353 N1354 R1355 K1359K1353-N1357 PolarHBondContact O-N 3.43Å; K1353-N1357 VanDerWaalsContact O-N 3.15Å; N1354-N1357 PolarHBondContact O-N 2.85Å; R1355-N1357 VanDerWaalsContact C-N 3.25Å; R1355-N1357 PolarHBondContact O-N 2.88Å; N1357-K1359 VanDerWaalsContact C-N 3.29Å; N1357-K1359 PolarHBondContact O-N 3.34Å
1358K58.2Low62.6Low165 Ų16557.4 Ų57.472%0.71729%0.285SS*.Hα-helixtrans-86.15.9179.3-68.5-172.8176.7-177.80114.1N1354 R1355 N1360N1354-K1358 WeakPolarHBondContact O-CB 3.08Å; N1354-K1358 PolarHBondContact O-N 3.05Å; R1355-K1358 PolarHBondContact O-N 2.89Å; K1358-N1360 PolarHBondContact O-N 2.99Å
1359K54.4Low63.4Low164 Ų16456.7 Ų56.771%0.71328%0.281SS*.SBendtrans56.9-21.7-177.9-74.7-174.6176.9-179.90118R1355 N1357 K1417R1355-K1359 WeakPolarHBondContact O-CA 3.26Å; R1355-K1359 PolarHBondContact O-N 2.88Å; N1357-K1359 VanDerWaalsContact C-N 3.29Å; N1357-K1359 PolarHBondContact O-N 3.34Å; K1359-K1417 PolarHBondContact O-NZ 3.27Å
1360N56Low64.3Low60 Ų6050.8 Ų50.832%0.32125%0.253SS..SBendtrans-149.827-176.2-83.7-21.4000117E1321 K1358 K1417E1321-N1360 PolarHBondContact OE1-ND2 3.32Å; E1321-N1360 PolarHBondContact OE2-ND2 3.11Å; K1358-N1360 PolarHBondContact O-N 2.99Å; N1360-K1417 PolarHBondContact OD1-NZ 2.86Å
1361G62.6Low64.6Low20 Ų2051.1 Ų51.121%0.20625%0.253CS..  trans-78.8153.2177.400000115.7R1355R1355-G1361 VanDerWaalsContact CD-O 3.32Å; R1355-G1361 WeakPolarHBondContact CD-O 3.41Å; R1355-G1361 WeakPolarHBondContact CG-O 3.31Å
1362S70Confident64.4Low28 Ų2856.1 Ų56.120%0.19628%0.278CS..  trans-71.2152.8165.649.10000111.2I1316 S1350I1316-S1362 CarbonylContact O-C 3.59Å; I1316-S1362 WeakPolarHBondContact O-CA 3.46Å; I1316-S1362 WeakPolarHBondContact O-CB 3.34Å; S1350-S1362 PolarHBondContact OG-O 2.8Å
1363W73.1Confident63.8Low3 Ų360.3 Ų60.31%0.01130%0.302CS..EExtended strand (participates in β ladder)trans-138.6155.1173.572.4101.5000111.7I1316 S1350 Y1352 R1355 I1399 L1416 Y1422I1316-W1363 HydrophobicContact CB-CD2 4.12Å; I1316-W1363 HydrophobicContact CB-CE3 4.19Å; I1316-W1363 HydrophobicContact CB-CH2 3.93Å; I1316-W1363 HydrophobicContact CB-CZ2 3.85Å; I1316-W1363 HydrophobicContact CB-CZ3 4.1Å; I1316-W1363 HydrophobicContact CD1-CZ2 3.84Å; I1316-W1363 HydrophobicContact CG1-CZ2 4.46Å; I1316-W1363 HydrophobicContact CG2-CE3 4.3Å; I1316-W1363 HydrophobicContact CG2-CH2 3.28Å; I1316-W1363 HydrophobicContact CG2-CZ2 3.55Å; I1316-W1363 HydrophobicContact CG2-CZ3 3.7Å; I1316-W1363 PolarHBondContact N-O 3.11Å; I1316-W1363 PolarHBondContact O-N 2.93Å; S1350-W1363 WeakPolarHBondContact O-CA 3.28Å; S1350-W1363 WeakPolarHBondContact O-CB 3.48Å; Y1352-W1363 HydrophobicContact CD2-CD2 4.46Å; R1355-W1363 HydrophobicContact CG-CE3 4.5Å; R1355-W1363 VanDerWaalsContact CZ-CZ3 3.41Å; W1363-I1399 HydrophobicContact CZ2-CG2 4.49Å; W1363-L1416 HydrophobicContact CH2-CD2 3.54Å; W1363-L1416 HydrophobicContact CZ2-CD2 3.67Å; W1363-Y1422 AromaticContact CH2-CD1 3.97Å; W1363-Y1422 HydrophobicContact CH2-CD1 3.97Å; W1363-Y1422 AromaticContact CH2-CE1 3.62Å; W1363-Y1422 HydrophobicContact CH2-CE1 3.62Å; W1363-Y1422 HydrophobicContact CZ3-CD1 4.2Å; W1363-Y1422 AromaticContact CZ3-CE1 3.82Å; W1363-Y1422 HydrophobicContact CZ3-CE1 3.82Å
1364E76.5Confident63.3Low6 Ų660.6 Ų60.63%0.02831%0.313CS..EExtended strand (participates in β ladder)trans-112.9132179.3-171.4163.8-12800110.3S1313 L1314 V1315 L1347 V1348 R1427 Y1429S1313-E1364 PolarHBondContact OG-OE1 2.69Å; L1314-E1364 CarbonylContact O-C 3.54Å; L1314-E1364 VanDerWaalsContact O-CA 3.29Å; L1314-E1364 WeakPolarHBondContact O-CA 3.46Å; V1315-E1364 HydrophobicContact CG2-CG 4.11Å; V1315-E1364 WeakPolarHBondContact CG2-OE1 3.49Å; L1347-E1364 WeakPolarHBondContact CA-OE2 3.29Å; L1347-E1364 HydrophobicContact CD2-CG 4.25Å; V1348-E1364 PolarHBondContact N-OE2 3.47Å; E1364-R1427 WeakPolarHBondContact OE1-CD 3.29Å; E1364-R1427 IonicContact OE1-CZ 3.6Å; E1364-R1427 IonicContact OE1-NE 3.68Å; E1364-R1427 IonicContact OE1-NH1 3.77Å; E1364-R1427 PolarHBondContact OE1-NH1 3.42Å; E1364-R1427 IonicContact OE2-NH1 2.71Å; E1364-Y1429 PolarHBondContact OE1-OH 2.87Å; E1364-Y1429 VanDerWaalsContact OE1-OH 3.08Å; E1364-Y1429 PolarHBondContact OE2-OH 2.86Å
1365I77.9Confident62.1Low2 Ų266.1 Ų66.11%0.0134%0.336CS..EExtended strand (participates in β ladder)trans-111.2123.6178-52.3178.8000108.8S1313 L1314 I1316 I1367 F1397 N1413S1313-I1365 CarbonylContact C-O 3.5Å; S1313-I1365 WeakPolarHBondContact CA-O 3.36Å; S1313-I1365 WeakPolarHBondContact CB-O 3.36Å; L1314-I1365 PolarHBondContact N-O 2.9Å; L1314-I1365 PolarHBondContact O-N 2.84Å; I1316-I1365 HydrophobicContact CD1-CD1 3.34Å; I1316-I1365 HydrophobicContact CD1-CG1 3.86Å; I1365-I1367 HydrophobicContact CG2-CD1 4.3Å; I1365-I1367 PolarHBondContact O-N 2.89Å; I1365-F1397 HydrophobicContact CD1-CE1 4.28Å; I1365-F1397 HydrophobicContact CG2-CE1 4.34Å; I1365-F1397 HydrophobicContact CG2-CZ 3.83Å; I1365-N1413 HydrophobicContact CD1-CB 4.25Å
1366L77.4Confident60.7Low23 Ų2369.5 Ų69.512%0.1237%0.367CS..EExtended strand (participates in β ladder)trans-70.7121.9173.7-175.962.8000110.4V1311 L1347 H1410V1311-L1366 HydrophobicContact CG1-CD1 3.44Å; V1311-L1366 VanDerWaalsContact CG1-CD1 3.44Å; L1347-L1366 HydrophobicContact CD1-CB 4.35Å; L1347-L1366 HydrophobicContact CD1-CD1 4.21Å; L1366-H1410 HydrophobicContact CB-CB 4.19Å; L1366-H1410 VanDerWaalsContact CB-O 3.31Å; L1366-H1410 WeakPolarHBondContact CB-O 3.35Å; L1366-H1410 HydrophobicContact CD2-CB 4.49Å; L1366-H1410 PolarHBondContact N-O 3.03Å
1367I77.1Confident59.6Low12 Ų1275.4 Ų75.46%0.06238%0.384CS..EExtended strand (participates in β ladder)trans-99.9-39.1-177.9-58.8-59.1000111.4L1297 L1299 V1312 L1314 I1365 K1395 F1397L1297-I1367 HydrophobicContact CD1-CG2 4.1Å; L1299-I1367 HydrophobicContact CD1-CG2 4.08Å; V1312-I1367 HydrophobicContact CG1-CB 4.45Å; V1312-I1367 WeakPolarHBondContact O-CA 3.38Å; V1312-I1367 WeakPolarHBondContact O-CB 3.37Å; V1312-I1367 PolarHBondContact O-N 3.12Å; L1314-I1367 HydrophobicContact CB-CD1 4.29Å; L1314-I1367 HydrophobicContact CB-CG1 4.3Å; L1314-I1367 HydrophobicContact CD1-CD1 3.63Å; L1314-I1367 HydrophobicContact CD1-CG1 4.14Å; L1314-I1367 HydrophobicContact CG-CD1 3.86Å; L1314-I1367 HydrophobicContact CG-CG1 3.82Å; I1365-I1367 HydrophobicContact CG2-CD1 4.3Å; I1365-I1367 PolarHBondContact O-N 2.89Å; I1367-K1395 PolarHBondContact O-NZ 2.85Å; I1367-F1397 HydrophobicContact CD1-CD1 3.92Å; I1367-F1397 HydrophobicContact CD1-CD2 3.72Å; I1367-F1397 HydrophobicContact CD1-CE1 3.66Å; I1367-F1397 HydrophobicContact CD1-CE2 3.44Å; I1367-F1397 VanDerWaalsContact CD1-CE2 3.44Å; I1367-F1397 HydrophobicContact CD1-CG 3.96Å; I1367-F1397 HydrophobicContact CD1-CZ 3.41Å; I1367-F1397 VanDerWaalsContact CD1-CZ 3.41Å
1368H73.8Confident58.5Low47 Ų4774.2 Ų74.222%0.21839%0.391CS..EExtended strand (participates in β ladder)trans-158.4143.7177.9-154.476.6000110.2V1312 Y1390 Y1392V1312-H1368 HydrophobicContact CB-CB 4.37Å; V1312-H1368 PolarHBondContact N-O 2.82Å; V1312-H1368 PolarHBondContact O-N 2.69Å; V1312-H1368 VanDerWaalsContact O-N 3.09Å; H1368-Y1390 AromaticContact NE2-CD1 3.94Å; H1368-Y1392 HydrophobicContact CB-CE1 4.38Å; H1368-Y1392 AromaticContact CD2-CD1 3.83Å; H1368-Y1392 AromaticContact CD2-CE1 3.48Å; H1368-Y1392 VanDerWaalsContact CD2-CE1 3.48Å; H1368-Y1392 WeakPolarHBondContact CD2-CE1 2.9Å
1369S68.8Low57.3Low33 Ų3377.8 Ų77.823%0.23140%0.4CS..EExtended strand (participates in β ladder)trans-140.3127.2175.1177.30000109.1L1371S1369-L1371 WeakPolarHBondContact OG-CB 3.46Å; S1369-L1371 PolarHBondContact OG-N 2.69Å; S1369-L1371 PolarHBondContact OG-O 3.48Å
1370R66.2Low56.3Low19 Ų1981.6 Ų81.67%0.07241%0.41CS..SBendtrans-81-6.5167-67.7-173.666.8-146.1-6.2112.2I1306 Y1310 N1387I1306-R1370 PolarHBondContact O-NH1 2.82Å; Y1310-R1370 PolarHBondContact O-N 2.82Å; R1370-N1387 PolarHBondContact NE-O 3.17Å; R1370-N1387 PolarHBondContact NH2-O 2.92Å
1371L61Low55.3Low25 Ų2584.4 Ų84.413%0.13143%0.434CS..BIsolated β-bridgetrans-89.5124175.9-57.8168.6000109.7V1311 I1345 S1369 L1373 Y1384V1311-L1371 HydrophobicContact CG2-CD1 3.81Å; I1345-L1371 HydrophobicContact CD1-CD1 3.65Å; S1369-L1371 WeakPolarHBondContact OG-CB 3.46Å; S1369-L1371 PolarHBondContact OG-N 2.69Å; S1369-L1371 PolarHBondContact OG-O 3.48Å; L1371-L1373 PolarHBondContact O-N 2.69Å; L1371-L1373 VanDerWaalsContact O-N 3.14Å; L1371-Y1384 HydrophobicContact CD2-CD1 3.77Å; L1371-Y1384 HydrophobicContact CD2-CE1 4.32Å; L1371-Y1384 HydrophobicContact CD2-CG 4.49Å
1372I53Low53.9Low127 Ų12789.2 Ų89.265%0.65145%0.453SS*.  trans-75.298.3171.4-57.6173.3000107.8S1374I1372-S1374 PolarHBondContact O-N 3.29Å
1373L49Very low52.4Low118 Ų11895.2 Ų95.262%0.61848%0.482SS*.  trans-82.289.4176.3-70.9164.8000109.6L1371L1371-L1373 PolarHBondContact O-N 2.69Å; L1371-L1373 VanDerWaalsContact O-N 3.14Å
1374S43.7Very low50.8Low81 Ų81100.2 Ų100.257%0.56650%0.502SS*.  trans-82120.7169.460.20000110.1I1372 A1376I1372-S1374 PolarHBondContact O-N 3.29Å; S1374-A1376 PolarHBondContact O-N 2.89Å; S1374-A1376 VanDerWaalsContact O-N 3.14Å
1375Q33.1Very low49.2Very low194 Ų194109.8 Ų109.891%0.90754%0.538SS*.  trans-68.8105.7172.5-73.3-177.610.600110.1
1376A31.9Very low47.8Very low82 Ų82113.3 Ų113.368%0.67856%0.555SS**  trans-160.5124.2153.700000111.7S1374 A1378S1374-A1376 PolarHBondContact O-N 2.89Å; S1374-A1376 VanDerWaalsContact O-N 3.14Å; A1376-A1378 PolarHBondContact O-N 2.83Å
1377R32.1Very low46.5Very low253 Ų253115.8 Ų115.896%0.95557%0.568SS**  trans-57.9121.3167.5-70.8171.5173.3171.3-3.1110.3
1378A33Very low45.3Very low96 Ų96123.3 Ų123.379%0.79360%0.604SS**  trans152.6112135.500000113.3A1376A1376-A1378 PolarHBondContact O-N 2.83Å
1379R32.6Very low44.1Very low241 Ų241126.2 Ų126.291%0.90963%0.629SS**  trans22.2125.7150.4-68-175.2177.4-175.7-0.6121
1380R32.8Very low43.5Very low243 Ų243130.7 Ų130.792%0.91764%0.642SS**SBendtrans81116156.2-64.4-174.2-179.4-165.60.2116.1
1381S35Very low43.3Very low119 Ų119135.5 Ų135.583%0.83267%0.668SS**  trans74.488173.6-174.10000115.2
1382M33.8Very low43.8Very low122 Ų122134.7 Ų134.760%0.60166%0.663SS**  trans-105.5109.4171.6-132.3171.6-162.700108.6Y1384M1382-Y1384 PolarHBondContact O-N 2.75Å
1383D38.8Very low44.6Very low153 Ų153132.5 Ų132.582%0.81866%0.66SS**  trans-72.5109.1169.5-93-30.6000109R1385D1383-R1385 PolarHBondContact O-N 2.93Å
1384Y39.7Very low45.8Very low108 Ų108130 Ų13042%0.42465%0.647SS.*  trans-74.7101.8170.1-68.8-75.8000109.3I1342 L1371 M1382 M1386I1342-Y1384 PolarHBondContact O-OH 3.15Å; L1371-Y1384 HydrophobicContact CD2-CD1 3.77Å; L1371-Y1384 HydrophobicContact CD2-CE1 4.32Å; L1371-Y1384 HydrophobicContact CD2-CG 4.49Å; M1382-Y1384 PolarHBondContact O-N 2.75Å; Y1384-M1386 PolarHBondContact O-N 2.72Å
1385R43Very low46.9Very low207 Ų207129 Ų12978%0.78163%0.632SS**  trans-81.3104.1165.5-81.3-168.4177.8-163.6-0.6109.5D1383D1383-R1385 PolarHBondContact O-N 2.93Å
1386M49Very low48.9Very low77 Ų77128 Ų12838%0.37962%0.621SS.*BIsolated β-bridgetrans-70.7132.4166.1-72.3-165.7-178.900109.8Y1310 Y1384 E1388Y1310-M1386 HydrophobicContact CD1-CE 3.38Å; Y1310-M1386 HydrophobicContact CD1-SD 4.07Å; Y1310-M1386 HydrophobicContact CE1-CE 3.04Å; Y1310-M1386 HydrophobicContact CE1-SD 3.72Å; Y1310-M1386 HydrophobicContact CE2-CE 4.29Å; Y1310-M1386 HydrophobicContact CG-CE 4.18Å; Y1384-M1386 PolarHBondContact O-N 2.72Å; M1386-E1388 PolarHBondContact O-N 3.08Å
1387N49.4Very low50.9Low74 Ų74125.7 Ų125.740%0.39660%0.596SS.*  trans-83.3101171.1-146.41.5000108.3R1370 S1389 Y1390R1370-N1387 PolarHBondContact NE-O 3.17Å; R1370-N1387 PolarHBondContact NH2-O 2.92Å; N1387-S1389 PolarHBondContact O-N 2.85Å; N1387-Y1390 WeakPolarHBondContact ND2-CD2 3.39Å
1388E50.7Low53.1Low171 Ų171115.5 Ų115.580%0.79956%0.56SS**THydrogen-bonded Turntrans-71.2-15.3-178-71.4-174.4174.100113.8M1386M1386-E1388 PolarHBondContact O-N 3.08Å
1389S49.1Very low55.2Low107 Ų107111 Ų11175%0.74852%0.522SS*.THydrogen-bonded Turntrans-91.65.9-173.4-36.80000115N1387N1387-S1389 PolarHBondContact O-N 2.85Å
1390Y56.7Low57.3Low128 Ų12899.6 Ų99.650%0.50248%0.481SS..  trans-105.3107.3-168.1-117.9-91.2000112.6I1306 H1368 N1387I1306-Y1390 VanDerWaalsContact CD1-O 3.24Å; I1306-Y1390 WeakPolarHBondContact CD1-O 3.4Å; H1368-Y1390 AromaticContact NE2-CD1 3.94Å; N1387-Y1390 WeakPolarHBondContact ND2-CD2 3.39Å
1391L62.5Low59Low120 Ų12093 Ų9363%0.62846%0.46SS*.  trans-86.2135.9172.5-72.1159.5000110.7N1303 I1306N1303-L1391 HydrophobicContact CB-CD2 3.98Å; N1303-L1391 WeakPolarHBondContact OD1-CA 3.37Å; N1303-L1391 WeakPolarHBondContact OD1-CD2 3.15Å; I1306-L1391 HydrophobicContact CD1-CD2 4.17Å
1392Y70.6Confident60.1Low7 Ų791.8 Ų91.83%0.02744%0.444CS..  trans-63139.7167.2-60.1-77.8000110.3L1299 S1300 L1302 N1303 I1306 V1309 V1312 H1368L1299-Y1392 WeakPolarHBondContact O-CB 3.17Å; S1300-Y1392 WeakPolarHBondContact CA-O 3.31Å; L1302-Y1392 HydrophobicContact CB-CD2 3.83Å; L1302-Y1392 HydrophobicContact CB-CE2 4.21Å; L1302-Y1392 HydrophobicContact CB-CG 4.17Å; N1303-Y1392 PolarHBondContact ND2-O 2.76Å; N1303-Y1392 WeakPolarHBondContact OD1-CA 3.46Å; N1303-Y1392 WeakPolarHBondContact OD1-CB 3.39Å; N1303-Y1392 WeakPolarHBondContact OD1-CD2 3.45Å; N1303-Y1392 PolarHBondContact OD1-N 2.81Å; I1306-Y1392 HydrophobicContact CG1-CE2 4.19Å; V1309-Y1392 PolarHBondContact O-OH 2.92Å; V1312-Y1392 HydrophobicContact CG2-CE1 4.02Å; H1368-Y1392 HydrophobicContact CB-CE1 4.38Å; H1368-Y1392 AromaticContact CD2-CD1 3.83Å; H1368-Y1392 AromaticContact CD2-CE1 3.48Å; H1368-Y1392 VanDerWaalsContact CD2-CE1 3.48Å; H1368-Y1392 WeakPolarHBondContact CD2-CE1 2.9Å
1393S69.6Low61.1Low82 Ų8289.5 Ų89.557%0.57345%0.452SS*.  trans-128.6147.4177.150.90000110.9
1394D74.2Confident62Low64 Ų6488.9 Ų88.934%0.34245%0.453SS..  trans-64.2133.1179-64.8-7000110.1Y1296 L1297 P1298 L1299 S1300Y1296-D1394 HydrophobicContact CE2-CB 4.33Å; Y1296-D1394 PolarHBondContact OH-OD2 3.01Å; L1297-D1394 WeakPolarHBondContact O-CA 3.45Å; P1298-D1394 VanDerWaalsContact CA-CG 3.5Å; P1298-D1394 WeakPolarHBondContact CA-OD1 3.38Å; L1299-D1394 PolarHBondContact N-OD1 2.93Å; L1299-D1394 VanDerWaalsContact N-OD1 3.12Å; S1300-D1394 WeakPolarHBondContact CA-OD1 3.42Å; S1300-D1394 WeakPolarHBondContact CB-OD1 3.38Å; S1300-D1394 PolarHBondContact N-OD1 2.91Å; S1300-D1394 VanDerWaalsContact OG-CG 3.25Å; S1300-D1394 PolarHBondContact OG-OD1 3.13Å; S1300-D1394 PolarHBondContact OG-OD2 2.82Å
1395K67.8Low63Low61 Ų6185.1 Ų85.127%0.26544%0.442SS..EExtended strand (participates in β ladder)trans-143.9147.2-177.768.7-179-177.3179.60113.2L1297 L1299 I1367L1297-K1395 HydrophobicContact CB-CG 4.47Å; L1297-K1395 PolarHBondContact N-O 3.2Å; L1297-K1395 PolarHBondContact O-N 2.89Å; L1299-K1395 HydrophobicContact CD1-CD 4.16Å; L1299-K1395 HydrophobicContact CD1-CG 4.12Å; I1367-K1395 PolarHBondContact O-NZ 2.85Å
1396Y74.1Confident63.6Low173 Ų17382.2 Ų82.268%0.67844%0.442SS*.EExtended strand (participates in β ladder)trans-80.7131.6163.4-68.1-88.1000108.8I1294 L1295 Y1296I1294-Y1396 HydrophobicContact CG2-CD1 4.25Å; L1295-Y1396 CarbonylContact O-C 3.51Å; L1295-Y1396 WeakPolarHBondContact O-CA 3.47Å; Y1296-Y1396 AromaticContact CD2-CD1 3.97Å; Y1296-Y1396 HydrophobicContact CD2-CD1 3.97Å; Y1296-Y1396 HydrophobicContact CD2-CD2 4.16Å; Y1296-Y1396 AromaticContact CD2-CE1 3.62Å; Y1296-Y1396 HydrophobicContact CD2-CE1 3.62Å; Y1296-Y1396 AromaticContact CD2-CE2 3.82Å; Y1296-Y1396 HydrophobicContact CD2-CE2 3.82Å; Y1296-Y1396 HydrophobicContact CD2-CG 4.23Å; Y1296-Y1396 AromaticContact CD2-CZ 3.54Å; Y1296-Y1396 HydrophobicContact CE2-CE2 4.08Å; Y1296-Y1396 HydrophobicContact CG-CE1 4.17Å
1397F74.7Confident63.7Low34 Ų3487.5 Ų87.515%0.14946%0.459CS..EExtended strand (participates in β ladder)trans-122.1117.8177.4-166.8-94.3000109.6L1295 L1297 L1314 I1365 I1367 I1399L1295-F1397 PolarHBondContact N-O 2.84Å; L1295-F1397 PolarHBondContact O-N 2.83Å; L1297-F1397 HydrophobicContact CD1-CB 3.73Å; L1297-F1397 HydrophobicContact CD1-CG 4.33Å; L1297-F1397 HydrophobicContact CG-CB 4.34Å; L1314-F1397 HydrophobicContact CD1-CD1 3.61Å; L1314-F1397 HydrophobicContact CD1-CE1 3.96Å; L1314-F1397 HydrophobicContact CD1-CG 4.34Å; I1365-F1397 HydrophobicContact CD1-CE1 4.28Å; I1365-F1397 HydrophobicContact CG2-CE1 4.34Å; I1365-F1397 HydrophobicContact CG2-CZ 3.83Å; I1367-F1397 HydrophobicContact CD1-CD1 3.92Å; I1367-F1397 HydrophobicContact CD1-CD2 3.72Å; I1367-F1397 HydrophobicContact CD1-CE1 3.66Å; I1367-F1397 HydrophobicContact CD1-CE2 3.44Å; I1367-F1397 VanDerWaalsContact CD1-CE2 3.44Å; I1367-F1397 HydrophobicContact CD1-CG 3.96Å; I1367-F1397 HydrophobicContact CD1-CZ 3.41Å; I1367-F1397 VanDerWaalsContact CD1-CZ 3.41Å; F1397-I1399 HydrophobicContact CD1-CG1 4.04Å; F1397-I1399 HydrophobicContact CE1-CG1 4.17Å
1398I77.3Confident63.8Low39 Ų3989.6 Ų89.620%0.247%0.47CS..EExtended strand (participates in β ladder)trans-94.2111.5-179.3-55.8178.5000107.7M1292 I1294 E1401 N1413M1292-I1398 HydrophobicContact CB-CG2 4.04Å; M1292-I1398 HydrophobicContact CG-CG2 4.38Å; M1292-I1398 HydrophobicContact SD-CG2 3.8Å; I1294-I1398 HydrophobicContact CD1-CD1 4.16Å; I1294-I1398 HydrophobicContact CD1-CG1 4.12Å; I1294-I1398 HydrophobicContact CG1-CG1 4.01Å; I1294-I1398 HydrophobicContact CG1-CG2 4.26Å; I1294-I1398 HydrophobicContact CG2-CG1 4.25Å; I1398-E1401 HydrophobicContact CB-CB 4.13Å; I1398-E1401 HydrophobicContact CB-CG 4.48Å; I1398-E1401 HydrophobicContact CG2-CB 3.9Å; I1398-E1401 HydrophobicContact CG2-CG 4.33Å; I1398-N1413 PolarHBondContact O-ND2 2.82Å
1399I77.8Confident64.1Low0 Ų083.2 Ų83.20%044%0.444CS..EExtended strand (participates in β ladder)trans-77.8125.1171.4-56.8174.4000108.4M1292 I1293 L1295 L1314 I1316 W1363 F1397 N1413 L1416 I1424M1292-I1399 CarbonylContact C-O 3.53Å; M1292-I1399 WeakPolarHBondContact CA-O 3.39Å; M1292-I1399 WeakPolarHBondContact CB-O 3.43Å; I1293-I1399 HydrophobicContact CB-CB 4.38Å; I1293-I1399 PolarHBondContact N-O 3.31Å; I1293-I1399 PolarHBondContact O-N 3.32Å; L1295-I1399 HydrophobicContact CD1-CD1 3.42Å; L1295-I1399 VanDerWaalsContact CD1-CD1 3.42Å; L1295-I1399 HydrophobicContact CD1-CG1 4.03Å; L1295-I1399 HydrophobicContact CG-CD1 4.31Å; L1314-I1399 HydrophobicContact CD1-CD1 4.44Å; I1316-I1399 HydrophobicContact CD1-CD1 3.89Å; I1316-I1399 HydrophobicContact CD1-CG1 4.29Å; I1316-I1399 HydrophobicContact CD1-CG2 3.78Å; I1316-I1399 HydrophobicContact CG1-CD1 4.14Å; W1363-I1399 HydrophobicContact CZ2-CG2 4.49Å; F1397-I1399 HydrophobicContact CD1-CG1 4.04Å; F1397-I1399 HydrophobicContact CE1-CG1 4.17Å; I1399-N1413 WeakPolarHBondContact CA-OD1 3.43Å; I1399-L1416 HydrophobicContact CB-CD1 4.34Å; I1399-L1416 HydrophobicContact CG2-CD1 3.94Å; I1399-L1416 HydrophobicContact CG2-CD2 3.8Å; I1399-L1416 HydrophobicContact CG2-CG 4.08Å; I1399-I1424 HydrophobicContact CD1-CD1 3.86Å; I1399-I1424 HydrophobicContact CD1-CG1 4.27Å; I1399-I1424 HydrophobicContact CD1-CG2 4.31Å
1400G75.6Confident64.6Low3 Ų381.3 Ų81.33%0.03142%0.423CS..THydrogen-bonded Turntrans103.67177.100000116.2M1292 N1413 G1414M1292-G1400 WeakPolarHBondContact CE-O 3.38Å; G1400-N1413 PolarHBondContact N-OD1 3.1Å; G1400-G1414 WeakPolarHBondContact CA-O 3.29Å
1401E69.2Low64.8Low104 Ų10481.8 Ų81.849%0.48643%0.43SS..  trans-75-27.8-169.2-164.8175.6-164.800115.2M1292 I1398M1292-E1401 HydrophobicContact SD-CB 4.33Å; I1398-E1401 HydrophobicContact CB-CB 4.13Å; I1398-E1401 HydrophobicContact CB-CG 4.48Å; I1398-E1401 HydrophobicContact CG2-CB 3.9Å; I1398-E1401 HydrophobicContact CG2-CG 4.33Å
1402N58.9Low65.1Low94 Ų9476.7 Ų76.750%0.50341%0.405SS..  trans-107.9117.3-167.4-77.4-30.4000114.1V1404 N1413N1402-V1404 PolarHBondContact O-N 2.72Å; N1402-N1413 PolarHBondContact N-O 3.23Å
1403G53.9Low65.2Low74 Ų7476.7 Ų76.776%0.76341%0.405SS*.SBendtrans-80-1-170.900000118.4
1404V59Low65.3Low139 Ų13972.8 Ų72.884%0.84238%0.378SS*.  trans-148.8118.4176.6-172.50000110.8N1402N1402-V1404 PolarHBondContact O-N 2.72Å
1405C59.6Low65.2Low29 Ų2972.5 Ų72.520%0.19638%0.379CS..  trans-107128177.6-70.40000113.6C1412C1405-C1412 HydrophobicContact CB-CB 3.85Å; C1405-C1412 WeakPolarHBondContact CB-SG 3.44Å; C1405-C1412 WeakPolarHBondContact SG-CB 3.08Å; C1405-C1412 CovalentContact SG-SG 2.02Å; C1405-C1412 PolarHBondContact SG-SG 2.84Å
1406L55.4Low65.7Low147 Ų14769.9 Ų69.977%0.7737%0.369SS*.  trans-71.5150170.9-67.1165.6000110.8N1408L1406-N1408 PolarHBondContact O-N 2.76Å
1407Y50.6Low65.7Low187 Ų18765.7 Ų65.773%0.73335%0.354SS*.THydrogen-bonded Turntrans-55.7133-177.5-94.9-89000111.7K1353 S1409K1353-Y1407 HydrophobicContact CD-CD1 4.49Å; K1353-Y1407 HydrophobicContact CD-CE1 4.47Å; K1353-Y1407 VanDerWaalsContact NZ-CD2 3.26Å; Y1407-S1409 PolarHBondContact O-N 3.19Å
1408N52.5Low65.4Low119 Ų11967 Ų6764%0.63637%0.366SS*.THydrogen-bonded Turntrans58.628.9173.8-63.7-3.7000117L1406L1406-N1408 PolarHBondContact O-N 2.76Å
1409S57.4Low65.1Low37 Ų3768.2 Ų68.226%0.25938%0.381SS..  trans-84.6126.2169.2175.40000111.7Y1407 E1411 C1412Y1407-S1409 PolarHBondContact O-N 3.19Å; S1409-E1411 PolarHBondContact O-N 3.17Å; S1409-E1411 PolarHBondContact OG-N 2.83Å; S1409-E1411 VanDerWaalsContact OG-N 3.14Å; S1409-C1412 PolarHBondContact O-N 2.86Å
1410H59.8Low64.9Low66 Ų6669.8 Ų69.831%0.30639%0.391SS..THydrogen-bonded Turntrans-72.5-7.2172-65.3-73.4000113.5L1347 T1351 L1366L1347-H1410 HydrophobicContact CD1-CB 3.67Å; L1347-H1410 WeakPolarHBondContact CD1-ND1 3.48Å; T1351-H1410 WeakPolarHBondContact CG2-ND1 3.24Å; L1366-H1410 HydrophobicContact CB-CB 4.19Å; L1366-H1410 VanDerWaalsContact CB-O 3.31Å; L1366-H1410 WeakPolarHBondContact CB-O 3.35Å; L1366-H1410 HydrophobicContact CD2-CB 4.49Å; L1366-H1410 PolarHBondContact N-O 3.03Å
1411E61.1Low65Low139 Ų13972 Ų7265%0.6540%0.401SS*.THydrogen-bonded Turntrans-97.53.8179.7-57.8173.9167.400111.9S1409 N1413S1409-E1411 PolarHBondContact O-N 3.17Å; S1409-E1411 PolarHBondContact OG-N 2.83Å; S1409-E1411 VanDerWaalsContact OG-N 3.14Å; E1411-N1413 PolarHBondContact O-N 3.48Å
1412C68.1Low65.6Low13 Ų1367 Ų679%0.08838%0.377CS..  trans-71.2116.9-175.2170.70000112.4Y1352 C1405 S1409Y1352-C1412 WeakPolarHBondContact CB-SG 3.45Å; C1405-C1412 HydrophobicContact CB-CB 3.85Å; C1405-C1412 WeakPolarHBondContact CB-SG 3.44Å; C1405-C1412 WeakPolarHBondContact SG-CB 3.08Å; C1405-C1412 CovalentContact SG-SG 2.02Å; C1405-C1412 PolarHBondContact SG-SG 2.84Å; S1409-C1412 PolarHBondContact O-N 2.86Å
1413N73.4Confident66.4Low6 Ų663.4 Ų63.43%0.03236%0.359CS..  trans-115.169.1179.5-179.128.2000111I1365 I1398 I1399 G1400 N1402 E1411I1365-N1413 HydrophobicContact CD1-CB 4.25Å; I1398-N1413 PolarHBondContact O-ND2 2.82Å; I1399-N1413 WeakPolarHBondContact CA-OD1 3.43Å; G1400-N1413 PolarHBondContact N-OD1 3.1Å; N1402-N1413 PolarHBondContact N-O 3.23Å; E1411-N1413 PolarHBondContact O-N 3.48Å
1414G70.8Confident67.7Low1 Ų160 Ų601%0.0132%0.324CS..PPolyproline II helixtrans-81166.5-175.900000114.7Y1352 G1400Y1352-G1414 VanDerWaalsContact CE2-CA 3.41Å; Y1352-G1414 WeakPolarHBondContact CE2-O 3.18Å; Y1352-G1414 VanDerWaalsContact CZ-C 3.45Å; Y1352-G1414 VanDerWaalsContact CZ-CA 3.49Å; G1400-G1414 WeakPolarHBondContact CA-O 3.29Å
1415P72.7Confident68.5Low57 Ų5753.8 Ų53.837%0.3729%0.285SS..PPolyproline II helixtrans-62.6149.6-169.221.8-32.7000115.1Y1352Y1352-P1415 WeakPolarHBondContact CE2-O 3.27Å; Y1352-P1415 WeakPolarHBondContact OH-CD 3.38Å; Y1352-P1415 VanDerWaalsContact OH-CG 3.3Å; Y1352-P1415 WeakPolarHBondContact OH-CG 3.44Å; Y1352-P1415 VanDerWaalsContact OH-N 3.16Å; Y1352-P1415 PolarHBondContact OH-O 2.95Å
1416L78.2Confident69.4Low7 Ų752.8 Ų52.84%0.03728%0.278CS..PPolyproline II helixtrans-88.9150.2175.4-59.4177.4000111.6S1291 I1293 W1363 I1399 Y1422 T1444S1291-L1416 WeakPolarHBondContact O-CB 3.46Å; S1291-L1416 PolarHBondContact O-N 2.79Å; I1293-L1416 HydrophobicContact CB-CD1 3.99Å; I1293-L1416 HydrophobicContact CD1-CD1 3.45Å; I1293-L1416 VanDerWaalsContact CD1-CD1 3.45Å; I1293-L1416 HydrophobicContact CG1-CD1 3.49Å; I1293-L1416 VanDerWaalsContact CG1-CD1 3.49Å; W1363-L1416 HydrophobicContact CH2-CD2 3.54Å; W1363-L1416 HydrophobicContact CZ2-CD2 3.67Å; I1399-L1416 HydrophobicContact CB-CD1 4.34Å; I1399-L1416 HydrophobicContact CG2-CD1 3.94Å; I1399-L1416 HydrophobicContact CG2-CD2 3.8Å; I1399-L1416 HydrophobicContact CG2-CG 4.08Å; L1416-Y1422 HydrophobicContact CB-CE2 3.93Å; L1416-Y1422 HydrophobicContact CD2-CD1 4.41Å; L1416-Y1422 HydrophobicContact CD2-CD2 4.33Å; L1416-Y1422 HydrophobicContact CD2-CE1 4.07Å; L1416-Y1422 HydrophobicContact CD2-CE2 3.99Å; L1416-Y1422 HydrophobicContact CG-CE2 4.39Å; L1416-T1444 HydrophobicContact CB-CG2 3.74Å; L1416-T1444 HydrophobicContact CD1-CG2 3.97Å
1417K73.7Confident70.4Confident84 Ų8446.2 Ų46.237%0.36524%0.243SC..PPolyproline II helixtrans-72.9136.5174.9-71.8179.2-178.1176.10108.4K1359 N1360 T1420 Y1422 T1444K1359-K1417 PolarHBondContact O-NZ 3.27Å; N1360-K1417 PolarHBondContact OD1-NZ 2.86Å; K1417-T1420 WeakPolarHBondContact CB-OG1 3.4Å; K1417-T1420 WeakPolarHBondContact O-CB 3.42Å; K1417-Y1422 WeakPolarHBondContact CB-OH 3.22Å; K1417-Y1422 PolarHBondContact N-OH 3.14Å; K1417-T1444 WeakPolarHBondContact O-CB 3.33Å; K1417-T1444 PolarHBondContact O-OG1 2.94Å
1418P68.7Low71.6Confident62 Ų6237.9 Ų37.940%0.40321%0.211SC..THydrogen-bonded Turntrans-60.2159.4171.9-2131.6000112.2T1420 T1444P1418-T1420 PolarHBondContact O-N 2.82Å; P1418-T1420 PolarHBondContact O-OG1 3.02Å; P1418-T1444 VanDerWaalsContact C-OG1 3.29Å
1419A71Confident72.5Confident64 Ų6432.9 Ų32.953%0.52918%0.184SC..THydrogen-bonded Turntrans51.723.6177.600000116.2T1444 L1445 T1446A1419-T1444 VanDerWaalsContact CA-O 3.29Å; A1419-T1444 WeakPolarHBondContact CA-O 3.39Å; A1419-T1444 PolarHBondContact N-O 2.83Å; A1419-T1444 PolarHBondContact N-OG1 2.84Å; A1419-L1445 PolarHBondContact N-O 3.35Å; A1419-T1446 HydrophobicContact CB-CG2 3.57Å
1420T73.1Confident73Confident33 Ų3332.3 Ų32.320%0.20218%0.179CC..  trans-117.1128.5-171.2-55.10000110P1318 K1417 P1418 Y1422 T1444P1318-T1420 HydrophobicContact CB-CG2 4.12Å; K1417-T1420 WeakPolarHBondContact CB-OG1 3.4Å; K1417-T1420 WeakPolarHBondContact O-CB 3.42Å; P1418-T1420 PolarHBondContact O-N 2.82Å; P1418-T1420 PolarHBondContact O-OG1 3.02Å; T1420-Y1422 HydrophobicContact CG2-CD2 4.31Å; T1420-Y1422 HydrophobicContact CG2-CE2 3.79Å; T1420-Y1422 WeakPolarHBondContact O-CD2 3.21Å; T1420-T1444 PolarHBondContact N-OG1 3.45Å; T1420-T1444 PolarHBondContact O-N 2.95Å; T1420-T1444 VanDerWaalsContact O-N 3.1Å; T1420-T1444 PolarHBondContact O-OG1 2.85Å; T1420-T1444 VanDerWaalsContact O-OG1 3.09Å
1421Q78.2Confident72.9Confident50 Ų5032.1 Ų32.123%0.23418%0.178CC..EExtended strand (participates in β ladder)trans-80.2133.3170.2-167.2177.5-6.900109.2P1318 T1319 H1441 G1442 H1443P1318-Q1421 CarbonylContact C-O 3.39Å; P1318-Q1421 WeakPolarHBondContact CA-O 3.39Å; T1319-Q1421 PolarHBondContact N-O 3.17Å; T1319-Q1421 WeakPolarHBondContact OG1-CB 3.46Å; T1319-Q1421 VanDerWaalsContact OG1-CG 3.27Å; T1319-Q1421 WeakPolarHBondContact OG1-CG 3.42Å; T1319-Q1421 PolarHBondContact OG1-O 2.93Å; Q1421-H1441 HydrophobicContact CG-CB 4.41Å; Q1421-H1441 PolarHBondContact NE2-CD2 2.84Å; Q1421-H1441 VanDerWaalsContact NE2-CD2 3.31Å; Q1421-G1442 CarbonylContact C-O 3.57Å; Q1421-G1442 WeakPolarHBondContact CA-O 3.48Å; Q1421-H1443 VanDerWaalsContact CD-NE2 3.27Å; Q1421-H1443 WeakPolarHBondContact CG-CE1 3.36Å; Q1421-H1443 WeakPolarHBondContact CG-NE2 3.44Å; Q1421-H1443 PolarHBondContact NE2-NE2 2.55Å; Q1421-H1443 PolarHBondContact OE1-CE1 3.09Å
1422Y80.6Confident72.6Confident0 Ų029.2 Ų29.20%016%0.162CC..EExtended strand (participates in β ladder)trans-117.9131.4175.7-70.9-88000109.8I1293 I1316 K1317 P1318 T1319 R1355 W1363 L1416 K1417 T1420 H1441 G1442 T1444I1293-Y1422 HydrophobicContact CD1-CD2 4.26Å; I1316-Y1422 HydrophobicContact CG2-CD1 3.78Å; I1316-Y1422 HydrophobicContact CG2-CG 4.31Å; K1317-Y1422 CarbonylContact O-C 3.58Å; K1317-Y1422 WeakPolarHBondContact O-CA 3.34Å; P1318-Y1422 HydrophobicContact CB-CD1 4.45Å; P1318-Y1422 HydrophobicContact CB-CE1 4.3Å; P1318-Y1422 HydrophobicContact CG-CD1 4.29Å; P1318-Y1422 HydrophobicContact CG-CE1 3.89Å; T1319-Y1422 PolarHBondContact OG1-N 2.81Å; R1355-Y1422 PolarHBondContact NH2-OH 2.89Å; W1363-Y1422 AromaticContact CH2-CD1 3.97Å; W1363-Y1422 HydrophobicContact CH2-CD1 3.97Å; W1363-Y1422 AromaticContact CH2-CE1 3.62Å; W1363-Y1422 HydrophobicContact CH2-CE1 3.62Å; W1363-Y1422 HydrophobicContact CZ3-CD1 4.2Å; W1363-Y1422 AromaticContact CZ3-CE1 3.82Å; W1363-Y1422 HydrophobicContact CZ3-CE1 3.82Å; L1416-Y1422 HydrophobicContact CB-CE2 3.93Å; L1416-Y1422 HydrophobicContact CD2-CD1 4.41Å; L1416-Y1422 HydrophobicContact CD2-CD2 4.33Å; L1416-Y1422 HydrophobicContact CD2-CE1 4.07Å; L1416-Y1422 HydrophobicContact CD2-CE2 3.99Å; L1416-Y1422 HydrophobicContact CG-CE2 4.39Å; K1417-Y1422 WeakPolarHBondContact CB-OH 3.22Å; K1417-Y1422 PolarHBondContact N-OH 3.14Å; T1420-Y1422 HydrophobicContact CG2-CD2 4.31Å; T1420-Y1422 HydrophobicContact CG2-CE2 3.79Å; T1420-Y1422 WeakPolarHBondContact O-CD2 3.21Å; Y1422-H1441 CarbonylContact O-C 3.6Å; Y1422-H1441 WeakPolarHBondContact O-CA 3.17Å; Y1422-G1442 PolarHBondContact N-O 2.85Å; Y1422-G1442 PolarHBondContact O-N 3.46Å; Y1422-T1444 HydrophobicContact CD2-CG2 4.4Å; Y1422-T1444 HydrophobicContact CE2-CG2 4.15Å
1423S77.3Confident72.4Confident17 Ų1728.6 Ų28.612%0.11916%0.157CC..EExtended strand (participates in β ladder)trans-83.3128.5162.150.50000109.7I1316 K1317 T1319 I1440I1316-S1423 WeakPolarHBondContact CA-O 3.4Å; K1317-S1423 WeakPolarHBondContact CB-OG 3.39Å; K1317-S1423 PolarHBondContact N-O 3.24Å; K1317-S1423 PolarHBondContact O-N 2.92Å; K1317-S1423 PolarHBondContact O-OG 2.93Å; T1319-S1423 PolarHBondContact OG1-N 2.82Å; S1423-I1440 CarbonylContact C-O 3.56Å; S1423-I1440 WeakPolarHBondContact CA-O 3.3Å
1424I80.6Confident72.3Confident3 Ų329.5 Ų29.52%0.01516%0.16CC..EExtended strand (participates in β ladder)trans-123.6130.8-175.8-57162.7000108.2I1293 L1295 L1314 V1315 I1316 I1399 I1440I1293-I1424 HydrophobicContact CD1-CD1 4.28Å; I1293-I1424 HydrophobicContact CG2-CD1 4.19Å; L1295-I1424 HydrophobicContact CD1-CD1 4.4Å; L1295-I1424 HydrophobicContact CD1-CG2 3.99Å; L1295-I1424 HydrophobicContact CD2-CD1 4.42Å; L1314-I1424 HydrophobicContact CD2-CG2 3.97Å; V1315-I1424 CarbonylContact O-C 3.58Å; V1315-I1424 WeakPolarHBondContact O-CA 3.32Å; I1316-I1424 HydrophobicContact CG2-CG1 4.47Å; I1399-I1424 HydrophobicContact CD1-CD1 3.86Å; I1399-I1424 HydrophobicContact CD1-CG1 4.27Å; I1399-I1424 HydrophobicContact CD1-CG2 4.31Å; I1424-I1440 PolarHBondContact N-O 2.82Å; I1424-I1440 PolarHBondContact O-N 2.56Å
1425Q76.5Confident72Confident9 Ų929.6 Ų29.64%0.04216%0.161CC..EExtended strand (participates in β ladder)trans-131.1138.5175.6-68.6178.1-5400110.6L1314 V1315 S1437 I1439L1314-Q1425 CarbonylContact C-O 3.58Å; L1314-Q1425 WeakPolarHBondContact CA-O 3.36Å; V1315-Q1425 HydrophobicContact CB-CB 4.44Å; V1315-Q1425 PolarHBondContact N-O 3.14Å; V1315-Q1425 PolarHBondContact O-N 2.83Å; Q1425-S1437 PolarHBondContact NE2-O 2.97Å; Q1425-I1439 HydrophobicContact CG-CB 4.27Å; Q1425-I1439 HydrophobicContact CG-CG1 3.6Å
1426L77.5Confident71.8Confident8 Ų827 Ų274%0.04214%0.144CC..EExtended strand (participates in β ladder)trans-84.5131.2167-167.477.4000109I1275 V1312 L1314 T1436 S1437I1275-L1426 HydrophobicContact CD1-CB 4.41Å; I1275-L1426 HydrophobicContact CD1-CD2 3.34Å; I1275-L1426 HydrophobicContact CD1-CG 4.48Å; I1275-L1426 HydrophobicContact CG1-CD2 4.36Å; V1312-L1426 HydrophobicContact CG1-CD1 3.74Å; V1312-L1426 HydrophobicContact CG1-CD2 4.32Å; V1312-L1426 HydrophobicContact CG1-CG 4.18Å; L1314-L1426 HydrophobicContact CD2-CB 4.42Å; L1314-L1426 HydrophobicContact CD2-CD1 3.77Å; L1314-L1426 HydrophobicContact CG-CD1 4.28Å; L1426-T1436 CarbonylContact O-C 3.52Å; L1426-T1436 WeakPolarHBondContact O-CA 3.49Å; L1426-S1437 PolarHBondContact N-OG 2.86Å; L1426-S1437 PolarHBondContact O-N 2.84Å
1427R76.9Confident71.3Confident9 Ų926.7 Ų26.73%0.03414%0.142CC..EExtended strand (participates in β ladder)trans-118.3128.8175.2-173.4-179.9-74.4160.3-10.9110.3S1313 V1315 E1364 Y1429 Y1434 T1435 T1436S1313-R1427 PolarHBondContact N-O 2.96Å; S1313-R1427 PolarHBondContact O-N 3.14Å; V1315-R1427 HydrophobicContact CG2-CB 4.34Å; E1364-R1427 WeakPolarHBondContact OE1-CD 3.29Å; E1364-R1427 IonicContact OE1-CZ 3.6Å; E1364-R1427 IonicContact OE1-NE 3.68Å; E1364-R1427 IonicContact OE1-NH1 3.77Å; E1364-R1427 PolarHBondContact OE1-NH1 3.42Å; E1364-R1427 IonicContact OE2-NH1 2.71Å; R1427-Y1429 HydrophobicContact CB-CE2 4.41Å; R1427-Y1429 WeakPolarHBondContact CD-OH 3.3Å; R1427-Y1429 HydrophobicContact CG-CD2 4.31Å; R1427-Y1429 HydrophobicContact CG-CE2 3.78Å; R1427-Y1429 PolarHBondContact NH1-OH 2.9Å; R1427-Y1434 HydrophobicContact CG-CD2 3.83Å; R1427-Y1434 HydrophobicContact CG-CG 4.16Å; R1427-T1435 WeakPolarHBondContact CA-O 3.25Å; R1427-T1436 HydrophobicContact CB-CG2 4.07Å; R1427-T1436 HydrophobicContact CG-CG2 3.88Å
1428T74.8Confident70.8Confident11 Ų1126.4 Ų26.47%0.06714%0.141CC..EExtended strand (participates in β ladder)trans-114.1134174.356.30000109.8V1309 V1311 V1312 Y1434 T1435V1309-T1428 HydrophobicContact CG1-CG2 4.22Å; V1311-T1428 WeakPolarHBondContact O-CA 3.31Å; V1312-T1428 HydrophobicContact CG1-CG2 4.45Å; V1312-T1428 HydrophobicContact CG2-CG2 4.3Å; T1428-Y1434 VanDerWaalsContact O-CA 3.23Å; T1428-Y1434 WeakPolarHBondContact O-CA 3.49Å; T1428-Y1434 WeakPolarHBondContact O-CB 3.49Å; T1428-T1435 PolarHBondContact N-O 2.85Å; T1428-T1435 PolarHBondContact O-N 2.84Å; T1428-T1435 WeakPolarHBondContact OG1-CG2 3.02Å
1429Y71.7Confident70.8Confident15 Ų1526.6 Ų26.66%0.05914%0.138CC..EExtended strand (participates in β ladder)trans-107.4134.6-179.6-65-100.7000110.3Y1310 V1311 L1347 E1364 R1427 Y1434Y1310-Y1429 PolarHBondContact N-O 3.46Å; V1311-Y1429 HydrophobicContact CB-CD2 3.88Å; V1311-Y1429 HydrophobicContact CB-CG 4.2Å; V1311-Y1429 HydrophobicContact CG1-CD2 3.95Å; V1311-Y1429 HydrophobicContact CG1-CE2 4.44Å; V1311-Y1429 PolarHBondContact O-N 2.87Å; L1347-Y1429 HydrophobicContact CD2-CE2 4.07Å; E1364-Y1429 PolarHBondContact OE1-OH 2.87Å; E1364-Y1429 VanDerWaalsContact OE1-OH 3.08Å; E1364-Y1429 PolarHBondContact OE2-OH 2.86Å; R1427-Y1429 HydrophobicContact CB-CE2 4.41Å; R1427-Y1429 WeakPolarHBondContact CD-OH 3.3Å; R1427-Y1429 HydrophobicContact CG-CD2 4.31Å; R1427-Y1429 HydrophobicContact CG-CE2 3.78Å; R1427-Y1429 PolarHBondContact NH1-OH 2.9Å; Y1429-Y1434 HydrophobicContact CE1-CD1 4.17Å; Y1429-Y1434 HydrophobicContact CE1-CG 4.25Å
1430T68.1Low70.8Confident24 Ų2425.4 Ų25.415%0.14712%0.123CC..EExtended strand (participates in β ladder)trans-121.4173172.872.50000109.5T1308 V1309 Y1432 G1433T1308-T1430 VanDerWaalsContact O-CA 3.23Å; T1308-T1430 WeakPolarHBondContact O-CA 3Å; T1308-T1430 WeakPolarHBondContact O-CB 3.45Å; T1308-T1430 VanDerWaalsContact O-CG2 3.29Å; T1308-T1430 WeakPolarHBondContact O-CG2 3.36Å; V1309-T1430 HydrophobicContact CG2-CG2 4.34Å; T1430-Y1432 PolarHBondContact O-N 3.01Å; T1430-Y1432 VanDerWaalsContact O-N 3.11Å; T1430-Y1432 PolarHBondContact OG1-N 2.82Å; T1430-G1433 PolarHBondContact N-O 2.92Å; T1430-G1433 PolarHBondContact O-N 3.2Å; T1430-G1433 VanDerWaalsContact O-O 3.08Å
1431E57.9Low70.8Confident62 Ų6228.1 Ų28.129%0.2913%0.133SC..THydrogen-bonded Turntrans-61.4-19176.548.3177.7172.500112.6R1224 Y1310R1224-E1431 IonicContact NH2-OE1 3.39Å; R1224-E1431 PolarHBondContact NH2-OE1 2.96Å; R1224-E1431 IonicContact NH2-OE2 2.74Å; Y1310-E1431 HydrophobicContact CE2-CB 3.75Å; Y1310-E1431 HydrophobicContact CE2-CG 4.13Å; Y1310-E1431 VanDerWaalsContact CE2-N 3.29Å
1432Y54.9Low70.3Confident79 Ų7926 Ų2631%0.3112%0.124SC..THydrogen-bonded Turntrans-102.8-3.9-174.8-56.3-57.3000113.9N1172 K1336 M1337 T1430N1172-Y1432 PolarHBondContact ND2-OH 2.83Å; K1336-Y1432 WeakPolarHBondContact CA-O 3.37Å; M1337-Y1432 PolarHBondContact N-O 2.78Å; T1430-Y1432 PolarHBondContact O-N 3.01Å; T1430-Y1432 VanDerWaalsContact O-N 3.11Å; T1430-Y1432 PolarHBondContact OG1-N 2.82Å
1433G64.9Low69.8Low0 Ų029.9 Ų29.90%014%0.142CC..EExtended strand (participates in β ladder)trans149.5-157.4-177.900000113.8R1335 T1430R1335-G1433 WeakPolarHBondContact O-CA 3.45Å; T1430-G1433 PolarHBondContact N-O 2.92Å; T1430-G1433 PolarHBondContact O-N 3.2Å; T1430-G1433 VanDerWaalsContact O-O 3.08Å
1434Y69.8Low69.5Low24 Ų2429.4 Ų29.49%0.09414%0.139CC..EExtended strand (participates in β ladder)trans-130150.917167.5-95.9000111.4T1334 R1335 R1427 T1428 Y1429 T1436T1334-Y1434 WeakPolarHBondContact CA-O 3.47Å; R1335-Y1434 HydrophobicContact CB-CD1 4.33Å; R1335-Y1434 HydrophobicContact CB-CE1 3.75Å; R1335-Y1434 WeakPolarHBondContact CD-OH 3.32Å; R1335-Y1434 HydrophobicContact CG-CE1 4.44Å; R1335-Y1434 PolarHBondContact N-O 3.05Å; R1335-Y1434 PolarHBondContact O-N 3.28Å; R1427-Y1434 HydrophobicContact CG-CD2 3.83Å; R1427-Y1434 HydrophobicContact CG-CG 4.16Å; T1428-Y1434 VanDerWaalsContact O-CA 3.23Å; T1428-Y1434 WeakPolarHBondContact O-CA 3.49Å; T1428-Y1434 WeakPolarHBondContact O-CB 3.49Å; Y1429-Y1434 HydrophobicContact CE1-CD1 4.17Å; Y1429-Y1434 HydrophobicContact CE1-CG 4.25Å; Y1434-T1436 HydrophobicContact CD2-CG2 4.05Å; Y1434-T1436 HydrophobicContact CE2-CG2 4.12Å
1435T65.9Low68.5Low4 Ų433.1 Ų33.13%0.02516%0.158CC..EExtended strand (participates in β ladder)trans-118152.5167.5-168.70000110.2L1268 R1427 T1428L1268-T1435 HydrophobicContact CD2-CG2 3.45Å; L1268-T1435 VanDerWaalsContact CD2-CG2 3.45Å; L1268-T1435 HydrophobicContact CG-CG2 4.24Å; R1427-T1435 WeakPolarHBondContact CA-O 3.25Å; T1428-T1435 PolarHBondContact N-O 2.85Å; T1428-T1435 PolarHBondContact O-N 2.84Å; T1428-T1435 WeakPolarHBondContact OG1-CG2 3.02Å
1436T67.8Low67.5Low1 Ų136.9 Ų36.91%0.00618%0.182CC..EExtended strand (participates in β ladder)trans-124.9140.9-17950.20000111.3L1426 R1427 Y1434L1426-T1436 CarbonylContact O-C 3.52Å; L1426-T1436 WeakPolarHBondContact O-CA 3.49Å; R1427-T1436 HydrophobicContact CB-CG2 4.07Å; R1427-T1436 HydrophobicContact CG-CG2 3.88Å; Y1434-T1436 HydrophobicContact CD2-CG2 4.05Å; Y1434-T1436 HydrophobicContact CE2-CG2 4.12Å
1437S68.3Low65.9Low1 Ų140.1 Ų40.11%0.00720%0.199CC..PPolyproline II helixtrans-67.2167.6172.475.20000112.7Q1425 L1426Q1425-S1437 PolarHBondContact NE2-O 2.97Å; L1426-S1437 PolarHBondContact N-OG 2.86Å; L1426-S1437 PolarHBondContact O-N 2.84Å
1438K62.9Low64.4Low79 Ų7942.8 Ų42.834%0.34322%0.217SC..PPolyproline II helixtrans-61.8156164.7-42.6-179.3160.6175.60109.8N1273 L1276 E1331 I1440N1273-K1438 VanDerWaalsContact OD1-CE 3.24Å; N1273-K1438 WeakPolarHBondContact OD1-CE 3.37Å; L1276-K1438 HydrophobicContact CD1-CB 3.36Å; L1276-K1438 HydrophobicContact CD1-CD 4.01Å; L1276-K1438 HydrophobicContact CD1-CG 3.71Å; E1331-K1438 HydrophobicContact CG-CB 4.31Å; E1331-K1438 HydrophobicContact CG-CG 4.22Å; E1331-K1438 WeakPolarHBondContact OE1-CB 3.5Å; E1331-K1438 WeakPolarHBondContact OE1-CD 3.31Å; K1438-I1440 PolarHBondContact O-N 2.71Å
1439I69Low63.2Low66 Ų6645.1 Ų45.134%0.33823%0.231SC..PPolyproline II helixtrans-73.4122.3-177.6-62.9169.6000109.3Q1425Q1425-I1439 HydrophobicContact CG-CB 4.27Å; Q1425-I1439 HydrophobicContact CG-CG1 3.6Å
1440I70.7Confident62.3Low39 Ų3949.9 Ų49.920%0.226%0.256CS..EExtended strand (participates in β ladder)trans-94.4136.4167.6-59.4166000107.9I1275 L1276 S1423 I1424 K1438I1275-I1440 HydrophobicContact CG2-CD1 4.47Å; L1276-I1440 HydrophobicContact CD2-CD1 4.34Å; L1276-I1440 HydrophobicContact CD2-CG1 3.65Å; L1276-I1440 HydrophobicContact CG-CG1 4.23Å; S1423-I1440 CarbonylContact C-O 3.56Å; S1423-I1440 WeakPolarHBondContact CA-O 3.3Å; I1424-I1440 PolarHBondContact N-O 2.82Å; I1424-I1440 PolarHBondContact O-N 2.56Å; K1438-I1440 PolarHBondContact O-N 2.71Å
1441H71.9Confident61.5Low89 Ų8954.1 Ų54.141%0.41228%0.277SS..EExtended strand (participates in β ladder)trans-101.9121.6176.7-6588.1000110.3Q1421 Y1422Q1421-H1441 HydrophobicContact CG-CB 4.41Å; Q1421-H1441 PolarHBondContact NE2-CD2 2.84Å; Q1421-H1441 VanDerWaalsContact NE2-CD2 3.31Å; Y1422-H1441 CarbonylContact O-C 3.6Å; Y1422-H1441 WeakPolarHBondContact O-CA 3.17Å
1442G69Low61.2Low5 Ų555.9 Ų55.95%0.05229%0.287CS..EExtended strand (participates in β ladder)trans-112.5134172.400000111.1Q1421 Y1422Q1421-G1442 CarbonylContact C-O 3.57Å; Q1421-G1442 WeakPolarHBondContact CA-O 3.48Å; Y1422-G1442 PolarHBondContact N-O 2.85Å; Y1422-G1442 PolarHBondContact O-N 3.46Å
1443H70.1Confident61.4Low83 Ų8356.2 Ų56.238%0.38429%0.294SS..EExtended strand (participates in β ladder)trans-110127.3179.4-69-102.8000110.5Q1421Q1421-H1443 VanDerWaalsContact CD-NE2 3.27Å; Q1421-H1443 WeakPolarHBondContact CG-CE1 3.36Å; Q1421-H1443 WeakPolarHBondContact CG-NE2 3.44Å; Q1421-H1443 PolarHBondContact NE2-NE2 2.55Å; Q1421-H1443 PolarHBondContact OE1-CE1 3.09Å
1444T70.2Confident61.2Low7 Ų759.3 Ų59.34%0.04331%0.313CS..PPolyproline II helixtrans-80.8140.4164.656.30000109.7I1293 L1416 K1417 P1418 A1419 T1420 Y1422I1293-T1444 HydrophobicContact CD1-CG2 4.44Å; I1293-T1444 HydrophobicContact CG1-CG2 4.39Å; L1416-T1444 HydrophobicContact CB-CG2 3.74Å; L1416-T1444 HydrophobicContact CD1-CG2 3.97Å; K1417-T1444 WeakPolarHBondContact O-CB 3.33Å; K1417-T1444 PolarHBondContact O-OG1 2.94Å; P1418-T1444 VanDerWaalsContact C-OG1 3.29Å; A1419-T1444 VanDerWaalsContact CA-O 3.29Å; A1419-T1444 WeakPolarHBondContact CA-O 3.39Å; A1419-T1444 PolarHBondContact N-O 2.83Å; A1419-T1444 PolarHBondContact N-OG1 2.84Å; T1420-T1444 PolarHBondContact N-OG1 3.45Å; T1420-T1444 PolarHBondContact O-N 2.95Å; T1420-T1444 VanDerWaalsContact O-N 3.1Å; T1420-T1444 PolarHBondContact O-OG1 2.85Å; T1420-T1444 VanDerWaalsContact O-OG1 3.09Å; Y1422-T1444 HydrophobicContact CD2-CG2 4.4Å; Y1422-T1444 HydrophobicContact CE2-CG2 4.15Å
1445L59.6Low61Low80 Ų8061.4 Ų61.442%0.41933%0.33SS..PPolyproline II helixtrans-71152.5-179.2-75.1164.1000110.8K1288 A1419K1288-L1445 HydrophobicContact CB-CD1 3.51Å; K1288-L1445 HydrophobicContact CB-CG 3.88Å; K1288-L1445 HydrophobicContact CD-CD1 4.3Å; K1288-L1445 HydrophobicContact CD-CD2 4.31Å; K1288-L1445 HydrophobicContact CD-CG 4.03Å; K1288-L1445 HydrophobicContact CG-CG 4.46Å; A1419-L1445 PolarHBondContact N-O 3.35Å
1446T55.8Low61Low89 Ų8964.2 Ų64.255%0.54635%0.349SS..PPolyproline II helixtrans-61.5136.3166.341.60000109.1A1419 T1448A1419-T1446 HydrophobicContact CB-CG2 3.57Å; T1446-T1448 VanDerWaalsContact C-N 3.27Å; T1446-T1448 PolarHBondContact O-N 3.05Å
1447D44.5Very low61.3Low75 Ų7568.4 Ų68.440%0.40137%0.371SS..  trans-52.390.4172-171.6-9.2000110T1449 I1450D1447-T1449 PolarHBondContact O-N 3.31Å; D1447-T1449 VanDerWaalsContact OD1-CA 3.31Å; D1447-T1449 WeakPolarHBondContact OD1-CA 3.37Å; D1447-T1449 WeakPolarHBondContact OD1-CB 3.42Å; D1447-T1449 PolarHBondContact OD1-N 3.4Å; D1447-T1449 PolarHBondContact OD1-OG1 2.84Å; D1447-I1450 PolarHBondContact O-N 3.48Å
1448T45.7Very low61.5Low66 Ų6673.9 Ų73.941%0.40540%0.399SS..THydrogen-bonded Turntrans-72.8-3.2174.445.10000110.4T1446 I1450 I1451 L1452T1446-T1448 VanDerWaalsContact C-N 3.27Å; T1446-T1448 PolarHBondContact O-N 3.05Å; T1448-I1450 PolarHBondContact O-N 2.84Å; T1448-I1451 CarbonylContact O-C 3.58Å; T1448-I1451 PolarHBondContact O-N 2.8Å; T1448-I1451 VanDerWaalsContact O-N 3.1Å; T1448-L1452 VanDerWaalsContact O-CB 3.32Å; T1448-L1452 WeakPolarHBondContact O-CB 3.42Å; T1448-L1452 PolarHBondContact O-N 3.33Å
1449T49.5Very low62Low60 Ų6078.3 Ų78.337%0.36841%0.414SS..Hα-helixtrans-67.5-17.1167.5-9.40000111.5D1447 I1453D1447-T1449 PolarHBondContact O-N 3.31Å; D1447-T1449 VanDerWaalsContact OD1-CA 3.31Å; D1447-T1449 WeakPolarHBondContact OD1-CA 3.37Å; D1447-T1449 WeakPolarHBondContact OD1-CB 3.42Å; D1447-T1449 PolarHBondContact OD1-N 3.4Å; D1447-T1449 PolarHBondContact OD1-OG1 2.84Å; T1449-I1453 HydrophobicContact CG2-CD1 3.6Å; T1449-I1453 HydrophobicContact CG2-CG1 3.86Å; T1449-I1453 VanDerWaalsContact O-CA 3.24Å; T1449-I1453 WeakPolarHBondContact O-CA 3.37Å; T1449-I1453 WeakPolarHBondContact O-CB 3.48Å; T1449-I1453 WeakPolarHBondContact O-CD1 3.48Å; T1449-I1453 WeakPolarHBondContact O-CG1 3.41Å; T1449-I1453 PolarHBondContact O-N 3.06Å
1450I50.8Low62.3Low115 Ų11578 Ų7859%0.5942%0.418SS*.Hα-helixtrans-75.6-36.3165.9-64.6179.1000111.3D1447 T1448 T1454D1447-I1450 PolarHBondContact O-N 3.48Å; T1448-I1450 PolarHBondContact O-N 2.84Å; I1450-T1454 HydrophobicContact CG2-CG2 4.31Å; I1450-T1454 VanDerWaalsContact O-CB 3.26Å; I1450-T1454 WeakPolarHBondContact O-CB 3.03Å; I1450-T1454 VanDerWaalsContact O-CG2 3.23Å; I1450-T1454 WeakPolarHBondContact O-CG2 3.49Å; I1450-T1454 PolarHBondContact O-N 3Å; I1450-T1454 PolarHBondContact O-OG1 2.73Å
1451I52.6Low62.6Low112 Ų11281 Ų8157%0.57443%0.434SS*.Hα-helixtrans-76.9-36.2177.3-64.2174.3000111.1T1448 T1454 C1455T1448-I1451 CarbonylContact O-C 3.58Å; T1448-I1451 PolarHBondContact O-N 2.8Å; T1448-I1451 VanDerWaalsContact O-N 3.1Å; I1451-T1454 WeakPolarHBondContact CA-OG1 3.38Å; I1451-T1454 PolarHBondContact O-OG1 3.1Å; I1451-T1454 VanDerWaalsContact O-OG1 3.13Å; I1451-C1455 WeakPolarHBondContact O-CA 3.44Å; I1451-C1455 WeakPolarHBondContact O-CB 3.26Å; I1451-C1455 PolarHBondContact O-N 3.27Å; I1451-C1455 PolarHBondContact O-SG 3.22Å
1452L51.4Low62.9Low99 Ų9982.8 Ų82.852%0.51844%0.441SS..Hα-helixtrans-80.2-24.7172.6-93.7142.3000112.6T1448 C1456T1448-L1452 VanDerWaalsContact O-CB 3.32Å; T1448-L1452 WeakPolarHBondContact O-CB 3.42Å; T1448-L1452 PolarHBondContact O-N 3.33Å; L1452-C1456 VanDerWaalsContact O-CA 3.29Å; L1452-C1456 WeakPolarHBondContact O-CA 3.38Å; L1452-C1456 WeakPolarHBondContact O-CB 3.42Å; L1452-C1456 PolarHBondContact O-N 2.98Å; L1452-C1456 PolarHBondContact O-SG 3.48Å
1453I59.2Low63.3Low86 Ų8686 Ų8644%0.44146%0.455SS..Hα-helixtrans-83.1-30.7167.9-66.9161.4000109.5T1449 I1457T1449-I1453 HydrophobicContact CG2-CD1 3.6Å; T1449-I1453 HydrophobicContact CG2-CG1 3.86Å; T1449-I1453 VanDerWaalsContact O-CA 3.24Å; T1449-I1453 WeakPolarHBondContact O-CA 3.37Å; T1449-I1453 WeakPolarHBondContact O-CB 3.48Å; T1449-I1453 WeakPolarHBondContact O-CD1 3.48Å; T1449-I1453 WeakPolarHBondContact O-CG1 3.41Å; T1449-I1453 PolarHBondContact O-N 3.06Å; I1453-I1457 HydrophobicContact CG2-CD1 3.3Å; I1453-I1457 HydrophobicContact CG2-CG1 3.72Å; I1453-I1457 VanDerWaalsContact O-CA 3.31Å; I1453-I1457 WeakPolarHBondContact O-CA 3.45Å; I1453-I1457 WeakPolarHBondContact O-CB 3.42Å; I1453-I1457 WeakPolarHBondContact O-CD1 3.36Å; I1453-I1457 WeakPolarHBondContact O-CG1 3.47Å; I1453-I1457 PolarHBondContact O-N 2.81Å
1454T60.9Low63.5Low66 Ų6687 Ų8741%0.40546%0.464SS..Hα-helixtrans-72.9-39167.953.40000110.8I1450 I1451 L1458I1450-T1454 HydrophobicContact CG2-CG2 4.31Å; I1450-T1454 VanDerWaalsContact O-CB 3.26Å; I1450-T1454 WeakPolarHBondContact O-CB 3.03Å; I1450-T1454 VanDerWaalsContact O-CG2 3.23Å; I1450-T1454 WeakPolarHBondContact O-CG2 3.49Å; I1450-T1454 PolarHBondContact O-N 3Å; I1450-T1454 PolarHBondContact O-OG1 2.73Å; I1451-T1454 WeakPolarHBondContact CA-OG1 3.38Å; I1451-T1454 PolarHBondContact O-OG1 3.1Å; I1451-T1454 VanDerWaalsContact O-OG1 3.13Å; T1454-L1458 WeakPolarHBondContact O-CA 2.99Å; T1454-L1458 WeakPolarHBondContact O-CB 3.45Å; T1454-L1458 WeakPolarHBondContact O-CD1 3Å; T1454-L1458 WeakPolarHBondContact O-CG 3.41Å; T1454-L1458 PolarHBondContact O-N 3.21Å
1455C64.2Low63.7Low68 Ų6889 Ų8946%0.45948%0.48SS..Hα-helixtrans-69.9-43173.4-74.70000110.2I1451 L1458 W1459I1451-C1455 WeakPolarHBondContact O-CA 3.44Å; I1451-C1455 WeakPolarHBondContact O-CB 3.26Å; I1451-C1455 PolarHBondContact O-N 3.27Å; I1451-C1455 PolarHBondContact O-SG 3.22Å; C1455-L1458 CarbonylContact O-C 3.51Å; C1455-L1458 PolarHBondContact O-N 3.05Å; C1455-W1459 WeakPolarHBondContact O-CA 3.21Å; C1455-W1459 WeakPolarHBondContact O-CB 3.1Å; C1455-W1459 PolarHBondContact O-N 2.98Å
1456C67.9Low64.5Low62 Ų6289.6 Ų89.642%0.41948%0.483SS..Hα-helixtrans-74.4-26.7174.6-68.70000112.8L1452 S1460L1452-C1456 VanDerWaalsContact O-CA 3.29Å; L1452-C1456 WeakPolarHBondContact O-CA 3.38Å; L1452-C1456 WeakPolarHBondContact O-CB 3.42Å; L1452-C1456 PolarHBondContact O-N 2.98Å; L1452-C1456 PolarHBondContact O-SG 3.48Å; C1456-S1460 VanDerWaalsContact O-CA 3.3Å; C1456-S1460 WeakPolarHBondContact O-CA 3.02Å; C1456-S1460 WeakPolarHBondContact O-CB 3.01Å; C1456-S1460 PolarHBondContact O-N 3.38Å; C1456-S1460 PolarHBondContact O-OG 2.95Å
1457I73.9Confident65Low89 Ų8987.5 Ų87.546%0.45647%0.472SS..Hα-helixtrans-74.2-39.8169-72.5171.2000108.6I1453 L1461I1453-I1457 HydrophobicContact CG2-CD1 3.3Å; I1453-I1457 HydrophobicContact CG2-CG1 3.72Å; I1453-I1457 VanDerWaalsContact O-CA 3.31Å; I1453-I1457 WeakPolarHBondContact O-CA 3.45Å; I1453-I1457 WeakPolarHBondContact O-CB 3.42Å; I1453-I1457 WeakPolarHBondContact O-CD1 3.36Å; I1453-I1457 WeakPolarHBondContact O-CG1 3.47Å; I1453-I1457 PolarHBondContact O-N 2.81Å; I1457-L1461 HydrophobicContact CG2-CD1 3.63Å; I1457-L1461 HydrophobicContact CG2-CG 4.07Å; I1457-L1461 WeakPolarHBondContact O-CA 3.49Å; I1457-L1461 WeakPolarHBondContact O-CB 3.29Å; I1457-L1461 WeakPolarHBondContact O-CD1 3.45Å; I1457-L1461 WeakPolarHBondContact O-CG 3.39Å; I1457-L1461 PolarHBondContact O-N 3.15Å
1458L71.1Confident66.1Low116 Ų11687.1 Ų87.161%0.60748%0.475SS*.Hα-helixtrans-67.8-35172.9-72.1166.4000111.5T1454 C1455 F1462T1454-L1458 WeakPolarHBondContact O-CA 2.99Å; T1454-L1458 WeakPolarHBondContact O-CB 3.45Å; T1454-L1458 WeakPolarHBondContact O-CD1 3Å; T1454-L1458 WeakPolarHBondContact O-CG 3.41Å; T1454-L1458 PolarHBondContact O-N 3.21Å; C1455-L1458 CarbonylContact O-C 3.51Å; C1455-L1458 PolarHBondContact O-N 3.05Å; L1458-F1462 WeakPolarHBondContact O-CB 3.15Å; L1458-F1462 PolarHBondContact O-N 3.25Å
1459W73.5Confident67.1Low172 Ų17291.5 Ų91.565%0.65249%0.489SS*.Hα-helixtrans-81.6-30.8177.7-141.883.6000111.4C1455 I1463C1455-W1459 WeakPolarHBondContact O-CA 3.21Å; C1455-W1459 WeakPolarHBondContact O-CB 3.1Å; C1455-W1459 PolarHBondContact O-N 2.98Å; W1459-I1463 HydrophobicContact CD2-CD1 4.2Å; W1459-I1463 HydrophobicContact CE3-CD1 3.29Å; W1459-I1463 HydrophobicContact CE3-CG1 4.02Å; W1459-I1463 HydrophobicContact CH2-CD1 3.78Å; W1459-I1463 HydrophobicContact CZ3-CD1 3.07Å; W1459-I1463 HydrophobicContact CZ3-CG1 4.15Å; W1459-I1463 WeakPolarHBondContact O-CB 3.31Å; W1459-I1463 VanDerWaalsContact O-CG1 3.25Å; W1459-I1463 WeakPolarHBondContact O-CG1 3.32Å; W1459-I1463 PolarHBondContact O-N 3.06Å
1460S74.9Confident67.8Low61 Ų6190 Ų9043%0.42749%0.486SS..Hα-helixtrans-77.2-32170.2-59.40000111.3C1456 L1464C1456-S1460 VanDerWaalsContact O-CA 3.3Å; C1456-S1460 WeakPolarHBondContact O-CA 3.02Å; C1456-S1460 WeakPolarHBondContact O-CB 3.01Å; C1456-S1460 PolarHBondContact O-N 3.38Å; C1456-S1460 PolarHBondContact O-OG 2.95Å; S1460-L1464 WeakPolarHBondContact O-CA 3.35Å; S1460-L1464 WeakPolarHBondContact O-CB 3.37Å; S1460-L1464 WeakPolarHBondContact O-CD1 2.98Å; S1460-L1464 WeakPolarHBondContact O-CG 3.25Å; S1460-L1464 PolarHBondContact O-N 2.84Å
1461L77.1Confident68.1Low102 Ų10288.8 Ų88.853%0.53448%0.48SS..Hα-helixtrans-73.8-32.9169.3-73.5170.5000110.5I1457 A1465I1457-L1461 HydrophobicContact CG2-CD1 3.63Å; I1457-L1461 HydrophobicContact CG2-CG 4.07Å; I1457-L1461 WeakPolarHBondContact O-CA 3.49Å; I1457-L1461 WeakPolarHBondContact O-CB 3.29Å; I1457-L1461 WeakPolarHBondContact O-CD1 3.45Å; I1457-L1461 WeakPolarHBondContact O-CG 3.39Å; I1457-L1461 PolarHBondContact O-N 3.15Å; L1461-A1465 WeakPolarHBondContact O-CA 3.42Å; L1461-A1465 WeakPolarHBondContact O-CB 3.36Å; L1461-A1465 PolarHBondContact O-N 3.29Å
1462F78.2Confident68.3Low126 Ų12689.1 Ų89.155%0.55348%0.482SS*.Hα-helixtrans-72.7-36.9172-170.6-107.7000111.7L1458 A1465 I1466L1458-F1462 WeakPolarHBondContact O-CB 3.15Å; L1458-F1462 PolarHBondContact O-N 3.25Å; F1462-A1465 PolarHBondContact O-N 2.75Å; F1462-I1466 HydrophobicContact CD1-CD1 3.52Å; F1462-I1466 HydrophobicContact CE1-CD1 3.26Å; F1462-I1466 HydrophobicContact CE1-CG1 4.46Å; F1462-I1466 HydrophobicContact CE2-CD1 4.38Å; F1462-I1466 HydrophobicContact CG-CD1 4.2Å; F1462-I1466 HydrophobicContact CZ-CD1 3.73Å; F1462-I1466 VanDerWaalsContact O-CB 3.3Å; F1462-I1466 WeakPolarHBondContact O-CB 3.29Å; F1462-I1466 WeakPolarHBondContact O-CG1 3.09Å; F1462-I1466 PolarHBondContact O-N 3.44Å
1463I78.5Confident68.4Low71 Ų7192.2 Ų92.236%0.36449%0.488SS..Hα-helixtrans-76.1-32.5171-75.7-173000111.8W1459 A1465 I1466 S1467W1459-I1463 HydrophobicContact CD2-CD1 4.2Å; W1459-I1463 HydrophobicContact CE3-CD1 3.29Å; W1459-I1463 HydrophobicContact CE3-CG1 4.02Å; W1459-I1463 HydrophobicContact CH2-CD1 3.78Å; W1459-I1463 HydrophobicContact CZ3-CD1 3.07Å; W1459-I1463 HydrophobicContact CZ3-CG1 4.15Å; W1459-I1463 WeakPolarHBondContact O-CB 3.31Å; W1459-I1463 VanDerWaalsContact O-CG1 3.25Å; W1459-I1463 WeakPolarHBondContact O-CG1 3.32Å; W1459-I1463 PolarHBondContact O-N 3.06Å; I1463-A1465 VanDerWaalsContact C-N 3.33Å; I1463-I1466 PolarHBondContact O-N 3.03Å; I1463-S1467 WeakPolarHBondContact O-CA 3.18Å; I1463-S1467 WeakPolarHBondContact O-CB 3.34Å; I1463-S1467 PolarHBondContact O-N 2.93Å; I1463-S1467 PolarHBondContact O-OG 2.94Å
1464L74.8Confident67.7Low106 Ų10694.6 Ų94.656%0.55549%0.493SS*.Hα-helixtrans-72.3-30.5170.1-77.5165.6000110.5S1460 S1467 S1468S1460-L1464 WeakPolarHBondContact O-CA 3.35Å; S1460-L1464 WeakPolarHBondContact O-CB 3.37Å; S1460-L1464 WeakPolarHBondContact O-CD1 2.98Å; S1460-L1464 WeakPolarHBondContact O-CG 3.25Å; S1460-L1464 PolarHBondContact O-N 2.84Å; L1464-S1467 WeakPolarHBondContact CA-OG 3.43Å; L1464-S1468 WeakPolarHBondContact O-CA 2.9Å; L1464-S1468 WeakPolarHBondContact O-CB 3.43Å; L1464-S1468 PolarHBondContact O-N 2.87Å; L1464-S1468 PolarHBondContact O-OG 2.95Å
1465A73.2Confident66.8Low48 Ų48101 Ų10140%0.39751%0.509SS..Hα-helixtrans-68.9-47.7168.400000110.6L1461 F1462 I1463 S1467 S1468 F1469L1461-A1465 WeakPolarHBondContact O-CA 3.42Å; L1461-A1465 WeakPolarHBondContact O-CB 3.36Å; L1461-A1465 PolarHBondContact O-N 3.29Å; F1462-A1465 PolarHBondContact O-N 2.75Å; I1463-A1465 VanDerWaalsContact C-N 3.33Å; A1465-S1467 PolarHBondContact O-N 2.93Å; A1465-S1468 WeakPolarHBondContact CA-OG 2.84Å; A1465-S1468 PolarHBondContact O-N 3.1Å; A1465-S1468 PolarHBondContact O-OG 2.84Å; A1465-S1468 VanDerWaalsContact O-OG 3.08Å; A1465-F1469 WeakPolarHBondContact O-CB 3.3Å; A1465-F1469 PolarHBondContact O-N 3.4Å
1466I76.4Confident65.8Low93 Ų93104.4 Ų104.448%0.47752%0.522SS..Hα-helixtrans-70.5-30177.9-71.1168.3000112.4F1462 I1463 G1470F1462-I1466 HydrophobicContact CD1-CD1 3.52Å; F1462-I1466 HydrophobicContact CE1-CD1 3.26Å; F1462-I1466 HydrophobicContact CE1-CG1 4.46Å; F1462-I1466 HydrophobicContact CE2-CD1 4.38Å; F1462-I1466 HydrophobicContact CG-CD1 4.2Å; F1462-I1466 HydrophobicContact CZ-CD1 3.73Å; F1462-I1466 VanDerWaalsContact O-CB 3.3Å; F1462-I1466 WeakPolarHBondContact O-CB 3.29Å; F1462-I1466 WeakPolarHBondContact O-CG1 3.09Å; F1462-I1466 PolarHBondContact O-N 3.44Å; I1463-I1466 PolarHBondContact O-N 3.03Å; I1466-G1470 WeakPolarHBondContact O-CA 3.27Å; I1466-G1470 PolarHBondContact O-N 3.45Å
1467S67.3Low64.6Low44 Ų44107 Ų10731%0.30853%0.531SS..Hα-helixtrans-89-20.2175.669.30000112.3I1463 L1464 A1465 L1471I1463-S1467 WeakPolarHBondContact O-CA 3.18Å; I1463-S1467 WeakPolarHBondContact O-CB 3.34Å; I1463-S1467 PolarHBondContact O-N 2.93Å; I1463-S1467 PolarHBondContact O-OG 2.94Å; L1464-S1467 WeakPolarHBondContact CA-OG 3.43Å; A1465-S1467 PolarHBondContact O-N 2.93Å; S1467-L1471 WeakPolarHBondContact O-CA 3.49Å; S1467-L1471 WeakPolarHBondContact O-CB 3.43Å; S1467-L1471 VanDerWaalsContact O-CD1 3.22Å; S1467-L1471 WeakPolarHBondContact O-CD1 3.38Å; S1467-L1471 PolarHBondContact O-N 2.86Å
1468S66.8Low62.5Low68 Ų68109.2 Ų109.248%0.47654%0.539SS..Hα-helixtrans-80.2-35.9165.159.90000111.2L1464 A1465 L1472L1464-S1468 WeakPolarHBondContact O-CA 2.9Å; L1464-S1468 WeakPolarHBondContact O-CB 3.43Å; L1464-S1468 PolarHBondContact O-N 2.87Å; L1464-S1468 PolarHBondContact O-OG 2.95Å; A1465-S1468 WeakPolarHBondContact CA-OG 2.84Å; A1465-S1468 PolarHBondContact O-N 3.1Å; A1465-S1468 PolarHBondContact O-OG 2.84Å; A1465-S1468 VanDerWaalsContact O-OG 3.08Å; S1468-L1472 VanDerWaalsContact O-CB 3.26Å; S1468-L1472 WeakPolarHBondContact O-CB 3.44Å; S1468-L1472 PolarHBondContact O-N 2.94Å
1469F66.3Low60.4Low158 Ų158115.2 Ų115.269%0.69355%0.553SS**Hα-helixtrans-70.6-35.8168.7-137.4-95.1000111.1A1465 L1472 Y1473A1465-F1469 WeakPolarHBondContact O-CB 3.3Å; A1465-F1469 PolarHBondContact O-N 3.4Å; F1469-L1472 WeakPolarHBondContact O-CB 3.23Å; F1469-L1472 PolarHBondContact O-N 2.83Å; F1469-Y1473 WeakPolarHBondContact O-CB 3.17Å; F1469-Y1473 PolarHBondContact O-N 3.45Å
1470G64.9Low58.5Low29 Ų29111.7 Ų111.730%0.29956%0.555SS.*Hα-helixtrans-76.9-34.4175.700000112.9I1466 Y1473 Y1474I1466-G1470 WeakPolarHBondContact O-CA 3.27Å; I1466-G1470 PolarHBondContact O-N 3.45Å; G1470-Y1473 PolarHBondContact O-N 2.98Å; G1470-Y1474 WeakPolarHBondContact O-CA 3.41Å; G1470-Y1474 WeakPolarHBondContact O-CB 3.25Å; G1470-Y1474 PolarHBondContact O-N 2.98Å
1471L57.6Low56.5Low88 Ų88116.1 Ų116.146%0.46157%0.572SS.*Hα-helixtrans-73.4-29.5164.9-103.383.2000110.9S1467 Y1473 R1475S1467-L1471 WeakPolarHBondContact O-CA 3.49Å; S1467-L1471 WeakPolarHBondContact O-CB 3.43Å; S1467-L1471 VanDerWaalsContact O-CD1 3.22Å; S1467-L1471 WeakPolarHBondContact O-CD1 3.38Å; S1467-L1471 PolarHBondContact O-N 2.86Å; L1471-Y1473 VanDerWaalsContact C-N 3.34Å; L1471-R1475 WeakPolarHBondContact O-CA 3.4Å; L1471-R1475 WeakPolarHBondContact O-CB 3.4Å; L1471-R1475 WeakPolarHBondContact O-CG 3.47Å; L1471-R1475 PolarHBondContact O-N 2.84Å
1472L56.5Low54.2Low119 Ų119118.3 Ų118.362%0.62358%0.583SS**Hα-helixtrans-67.3-40.1170.3-13681000110.2S1468 F1469 L1476S1468-L1472 VanDerWaalsContact O-CB 3.26Å; S1468-L1472 WeakPolarHBondContact O-CB 3.44Å; S1468-L1472 PolarHBondContact O-N 2.94Å; F1469-L1472 WeakPolarHBondContact O-CB 3.23Å; F1469-L1472 PolarHBondContact O-N 2.83Å; L1472-L1476 WeakPolarHBondContact O-CD1 3.4Å; L1472-L1476 WeakPolarHBondContact O-CG 3.42Å; L1472-L1476 PolarHBondContact O-N 2.83Å
1473Y53.7Low52.1Low164 Ų164116.7 Ų116.764%0.64359%0.585SS**Hα-helixtrans-75.1-35.4179-167.9-99.1000112.6F1469 G1470 L1471 L1476 I1477F1469-Y1473 WeakPolarHBondContact O-CB 3.17Å; F1469-Y1473 PolarHBondContact O-N 3.45Å; G1470-Y1473 PolarHBondContact O-N 2.98Å; L1471-Y1473 VanDerWaalsContact C-N 3.34Å; Y1473-L1476 PolarHBondContact O-N 2.82Å; Y1473-I1477 HydrophobicContact CE1-CD1 4.4Å; Y1473-I1477 PolarHBondContact O-N 3.05Å
1474Y44.1Very low49.6Very low137 Ų137122.3 Ų122.354%0.53761%0.607SS.*Hα-helixtrans-84.7-31.4178.6-165.6-90.9000111.9G1470 L1476 I1477 E1478G1470-Y1474 WeakPolarHBondContact O-CA 3.41Å; G1470-Y1474 WeakPolarHBondContact O-CB 3.25Å; G1470-Y1474 PolarHBondContact O-N 2.98Å; Y1474-L1476 PolarHBondContact O-N 2.84Å; Y1474-I1477 CarbonylContact O-C 3.25Å; Y1474-I1477 PolarHBondContact O-N 2.72Å; Y1474-I1477 VanDerWaalsContact O-N 3.11Å; Y1474-E1478 HydrophobicContact CE1-CB 4.34Å; Y1474-E1478 HydrophobicContact CE1-CG 4.4Å; Y1474-E1478 WeakPolarHBondContact CE1-OE2 3.21Å; Y1474-E1478 PolarHBondContact O-N 2.87Å; Y1474-E1478 PolarHBondContact OH-OE1 2.88Å
1475R42.9Very low47.2Very low201 Ų201123.3 Ų123.376%0.75861%0.613SS**THydrogen-bonded Turntrans-70.4-8.5165.6-69.8-178.7176.3-171.42.1113.3L1471L1471-R1475 WeakPolarHBondContact O-CA 3.4Å; L1471-R1475 WeakPolarHBondContact O-CB 3.4Å; L1471-R1475 WeakPolarHBondContact O-CG 3.47Å; L1471-R1475 PolarHBondContact O-N 2.84Å
1476L42.5Very low44.9Very low138 Ų138126.1 Ų126.172%0.72362%0.621SS**THydrogen-bonded Turntrans-91.2-14.3168.3-76.8168.2000113.3L1472 Y1473 Y1474L1472-L1476 WeakPolarHBondContact O-CD1 3.4Å; L1472-L1476 WeakPolarHBondContact O-CG 3.42Å; L1472-L1476 PolarHBondContact O-N 2.83Å; Y1473-L1476 PolarHBondContact O-N 2.82Å; Y1474-L1476 PolarHBondContact O-N 2.84Å
1477I41.6Very low42.5Very low118 Ų118127.4 Ų127.461%0.60563%0.629SS**SBendtrans-133.541.7-177.1-46.2179.7000110.2Y1473 Y1474Y1473-I1477 HydrophobicContact CE1-CD1 4.4Å; Y1473-I1477 PolarHBondContact O-N 3.05Å; Y1474-I1477 CarbonylContact O-C 3.25Å; Y1474-I1477 PolarHBondContact O-N 2.72Å; Y1474-I1477 VanDerWaalsContact O-N 3.11Å
1478E30.6Very low40.4Very low134 Ų134131.5 Ų131.563%0.62665%0.646SS**  trans-138.166.9162.1-146.6174.2-138.600108.9Y1474Y1474-E1478 HydrophobicContact CE1-CB 4.34Å; Y1474-E1478 HydrophobicContact CE1-CG 4.4Å; Y1474-E1478 WeakPolarHBondContact CE1-OE2 3.21Å; Y1474-E1478 PolarHBondContact O-N 2.87Å; Y1474-E1478 PolarHBondContact OH-OE1 2.88Å
1479R27.7Very low38.4Very low242 Ų242136.3 Ų136.391%0.91366%0.661SS**  trans-128.684.4160-86.5-170.6176.8-173.10.6108.5
1480S33.2Very low36.5Very low98 Ų98134.9 Ų134.969%0.68566%0.66SS**SBend178.9101.713054.20000113
1481I33.6Very low34.6Very low154 Ų154138.8 Ų138.879%0.7968%0.675SS**  70.9103.7122.7-59.6159.9000115.5
1482I27.5Very low33Very low149 Ų149141.3 Ų141.376%0.76469%0.689SS**  cis57.9137.749.8-55.7179.7000111.9
1483P35Very low31.5Very low91 Ų91139 Ų13959%0.59169%0.686SS**  cis-155.6-160.6-36.346-25.9000113.6
1484K24.4Very low30.1Very low190 Ų190140.6 Ų140.683%0.82669%0.691SS**  trans71.1152.2143.5-76.6177.2-171.2-177.90118.4
1485N24.9Very low29.2Very low126 Ų126142 Ų14267%0.67470%0.695SS**  cis-175.6156.5-22.1-156.822.1000104.3
1486N25.6Very low28.3Very low108 Ų108139.5 Ų139.558%0.57869%0.69SS**  trans74.6122.1145-83.824.3000122
1487D25Very low27.5Very low120 Ų120139.7 Ų139.764%0.64269%0.69SS**  103.8111.7119-73-18.9000120.3
1488I24.9Very low26.6Very low130 Ų130139.9 Ų139.967%0.66769%0.693SS**  92.6126.7121.8-65.3170.8000119.7
1489H24.8Very low26.3Very low168 Ų168137.9 Ų137.978%0.77869%0.694SS**  trans68.5105.1152.9-70.5-40.1000122.6
1490N25.4Very low26.1Very low128 Ų128135.2 Ų135.268%0.68469%0.689SS**  51.2125.9104.5-135.98.6000120.7
1491N25.1Very low25.6Very low112 Ų112135.2 Ų135.260%0.59969%0.685SS**  trans88.7120.2136.4-87.8-21000121.5
1492N24.9Very low25.2Very low141 Ų141134.3 Ų134.375%0.75468%0.68SS**  trans73.8140139.6-57.3-33.1000114.5
1493A24Very low25Very low70 Ų70135 Ų13558%0.57968%0.678SS**  cis-174.3149.926.600000108.9
1494R24.8Very low24.4Very low198 Ų198137.4 Ų137.475%0.74769%0.686SS**  63.8148127.9-69.2176.4175-175.83.8117.6
1495R24.1Very low24.5Very low165 Ų165131.9 Ų131.962%0.62368%0.683SS**  cis-170.5137.612.7-115.8167.5-176.9-175.7-0.9104
1496K25.7Very low24.4Very low149 Ų149133.1 Ų133.165%0.64869%0.689SS**  75.8128.190.7-149.1-168.2-135-169.60110.4
1497I24.9Very low24.6Very low142 Ų142135.4 Ų135.473%0.72870%0.7SS**  -178.1116.999.3-89.6158.6000104.3
1498N22.3Very low24.6Very low122 Ų122141 Ų14165%0.65271%0.714SS**  66.8140.396.4-65.9-11.7000111.5
1499S24.5Very low24.6Very low92 Ų92139.1 Ų139.164%0.64371%0.712SS**  cis171.9162.27.546.50000107.6
1500K23.4Very low24.6Very low187 Ų187140 Ų14081%0.81372%0.717SS**  trans69.8143.9136-90.4-173.6173.4-1760117.3
1501T23.5Very low24.8Very low98 Ų98140.8 Ų140.860%0.60172%0.721SS**  cis171.5161.5-1015.60000105.4
1502I24.2Very low25Very low135 Ų135141.9 Ų141.969%0.69273%0.725SS**  trans80.2134144.8-68.5153000116.8
1503F23Very low25.1Very low162 Ų162144.3 Ų144.371%0.71174%0.735SS**  cis-168.4161.13.6-120.9-146.8000110.6
1504N23.1Very low25.2Very low142 Ų142146.7 Ų146.776%0.75974%0.738SS**  trans66.9134.4139.9-72.18.3000124.1
1505G25.7Very low25.3Very low75 Ų75148.9 Ų148.977%0.77375%0.746SS**  trans162.8101.9154.800000111.9
1506D24.5Very low25.5Very low151 Ų151145.9 Ų145.981%0.80775%0.746SS**  trans-53.1156.7-173.7-56.7-70.1000116.8
1507I28.8Very low25.7Very low156 Ų156147.2 Ų147.280%0.875%0.754SS**  175.8130.3115.2-83.7154.5000110.4S1509I1507-S1509 PolarHBondContact O-N 2.85Å
1508Y25.2Very low25.9Very low237 Ų237148.4 Ų148.493%0.92976%0.761SS**  trans-49.8112158.3-100.1-107.9000111.6
1509S24.8Very low26.1Very low91 Ų91146.3 Ų146.364%0.63676%0.756SS**  trans-169.5109.6140.962.80000111.3I1507 N1511I1507-S1509 PolarHBondContact O-N 2.85Å; S1509-N1511 PolarHBondContact O-N 2.83Å
1510Q25.9Very low26.2Very low188 Ų188149.2 Ų149.288%0.87977%0.765SS**  trans35.780144.4-57-165.7-700117.6
1511N27.6Very low26.3Very low144 Ų144146.3 Ų146.377%0.7776%0.757SS**  trans-105.9117.3157.3-77.8-45.5000107.5S1509S1509-N1511 PolarHBondContact O-N 2.83Å
1512I30.2Very low26.2Very low134 Ų134145.2 Ų145.269%0.68775%0.753SS**  5980.571.6-56.3168.4000107.7
1513M27.1Very low26.3Very low192 Ų192143.4 Ų143.495%0.94675%0.749SS**  trans-78.5125.8152.5-105.7-162-90.500107.7
1514N26.6Very low26.4Very low120 Ų120140.3 Ų140.364%0.64274%0.744SS**  trans-48.6135.7-177.1-88.3-33.8000113.8T1516N1514-T1516 PolarHBondContact O-N 2.84Å
1515R27.1Very low27Very low244 Ų244136.6 Ų136.692%0.92172%0.724SS**THydrogen-bonded Turntrans-63.520.2174.6-140.3178.6-144.4-153.83.1114.5
1516T28.1Very low27.7Very low102 Ų102141.5 Ų141.563%0.62673%0.727SS**THydrogen-bonded Turntrans-130.911-170.450.60000114N1514N1514-T1516 PolarHBondContact O-N 2.84Å
1517Q29.2Very low29.5Very low177 Ų177137 Ų13783%0.82770%0.699SS**SBendtrans-121.50.3171.5-74.6-92.7-34.800113.3
1518L28.3Very low31.3Very low167 Ų167131 Ų13187%0.87467%0.67SS**SBendtrans-98.30.8176.8-139.185.1000113.5
1519S26.5Very low33.8Very low78 Ų78124 Ų12455%0.54565%0.652SS.*SBendtrans-98.78.2-16855.40000115.4
1520N26.5Very low36.8Very low153 Ų153119.8 Ų119.882%0.81862%0.622SS**SBendtrans-117.227.9-175.6-77.7-1.2000114.7
1521L25.4Very low39.7Very low126 Ų126111.5 Ų111.566%0.6659%0.585SS**  trans-128.463.1172-90.8130.6000110.4I1525 V1553L1521-I1525 HydrophobicContact CD2-CD1 4.39Å; L1521-V1553 HydrophobicContact CD2-CG1 4.36Å; L1521-V1553 HydrophobicContact CD2-CG2 4.45Å
1522C23Very low42.7Very low76 Ų76106.2 Ų106.251%0.51456%0.557SS.*  trans-119.369.7173.2-750000110.8P368P368-C1522 HydrophobicContact CB-CB 4.26Å
1523T26Very low45.3Very low97 Ų97101.8 Ų101.860%0.59554%0.536SS*.SBendtrans-108.1142.8142.548.50000106.3I1525T1523-I1525 VanDerWaalsContact C-N 3.26Å; T1523-I1525 PolarHBondContact O-N 2.92Å
1524P26Very low48Very low96 Ų9696.3 Ų96.362%0.62352%0.517SS*.  trans-63.5101.4165.726.9-27.9000105E1526P1524-E1526 PolarHBondContact O-N 3.27Å
1525I34.3Very low50.9Low65 Ų6597.2 Ų97.233%0.33352%0.516SS..  trans-70.896178.9-61159.1000105L1521 T1523 W1527 V1553 L1557L1521-I1525 HydrophobicContact CD2-CD1 4.39Å; T1523-I1525 VanDerWaalsContact C-N 3.26Å; T1523-I1525 PolarHBondContact O-N 2.92Å; I1525-W1527 PolarHBondContact O-N 3.18Å; I1525-V1553 HydrophobicContact CD1-CG1 3.5Å; I1525-L1557 HydrophobicContact CB-CD1 3.6Å; I1525-L1557 HydrophobicContact CB-CD2 3.99Å; I1525-L1557 HydrophobicContact CB-CG 4.35Å; I1525-L1557 HydrophobicContact CD1-CD1 3.76Å; I1525-L1557 HydrophobicContact CG1-CD1 4.27Å; I1525-L1557 HydrophobicContact CG2-CD1 3.25Å; I1525-L1557 HydrophobicContact CG2-CD2 4.2Å; I1525-L1557 HydrophobicContact CG2-CG 4.34Å; I1525-L1557 WeakPolarHBondContact O-CD2 3.43Å
1526E40.4Very low53.9Low177 Ų17786 Ų8683%0.82747%0.473SS*.PPolyproline II helixtrans-47.4132.8175.9-114.7-179.4173.200108.9P1524P1524-E1526 PolarHBondContact O-N 3.27Å
1527W63.3Low56.8Low57 Ų5783.5 Ų83.522%0.21646%0.455CS..PPolyproline II helixtrans-64.5129.3-177.5-155.9-143.2000108.6I1525 T1529 Q1554 L1557 I1558 P1811 L1815I1525-W1527 PolarHBondContact O-N 3.18Å; W1527-T1529 PolarHBondContact O-N 2.85Å; W1527-T1529 VanDerWaalsContact O-N 3.15Å; W1527-Q1554 HydrophobicContact CZ3-CG 4.42Å; W1527-L1557 HydrophobicContact CE3-CB 3.86Å; W1527-L1557 HydrophobicContact CE3-CD2 4.01Å; W1527-L1557 HydrophobicContact CE3-CG 4.46Å; W1527-L1557 HydrophobicContact CH2-CB 4.22Å; W1527-L1557 HydrophobicContact CZ3-CB 3.37Å; W1527-L1557 HydrophobicContact CZ3-CD2 4.37Å; W1527-L1557 HydrophobicContact CZ3-CG 4.34Å; W1527-I1558 HydrophobicContact CH2-CB 4.44Å; W1527-I1558 HydrophobicContact CH2-CD1 4.42Å; W1527-I1558 HydrophobicContact CH2-CG1 3.42Å; W1527-I1558 VanDerWaalsContact CH2-CG1 3.42Å; W1527-I1558 HydrophobicContact CZ2-CG1 4.05Å; W1527-I1558 HydrophobicContact CZ3-CG1 4.43Å; W1527-P1811 HydrophobicContact CH2-CB 3.31Å; W1527-P1811 HydrophobicContact CH2-CG 4.38Å; W1527-P1811 HydrophobicContact CZ2-CB 3.38Å; W1527-P1811 HydrophobicContact CZ3-CB 4.28Å; W1527-L1815 VanDerWaalsContact CE2-CD1 3.44Å; W1527-L1815 HydrophobicContact CZ2-CD1 3.39Å; W1527-L1815 HydrophobicContact CZ2-CG 4.01Å
1528P65.5Low59.6Low30 Ų3078 Ų7820%0.19544%0.44CS..PPolyproline II helixtrans-56.4122.8-172-2128.8000110.7Q1554 P1811P1528-Q1554 HydrophobicContact CG-CG 3.71Å; P1528-P1811 HydrophobicContact CB-CG 3.92Å; P1528-P1811 HydrophobicContact CG-CB 4.48Å; P1528-P1811 HydrophobicContact CG-CG 3.86Å
1529T78.9Confident62.4Low90 Ų9073.8 Ų73.855%0.55242%0.416SS*.PPolyproline II helixtrans-7314717755.70000110.8W1527 V1531W1527-T1529 PolarHBondContact O-N 2.85Å; W1527-T1529 VanDerWaalsContact O-N 3.15Å; T1529-V1531 PolarHBondContact O-N 3.24Å
1530P86.4Confident65.4Low3 Ų371.6 Ų71.62%0.01940%0.396CS..PPolyproline II helixtrans-48.9135.8170.8-24.728.4000113C1624 V1627 Y1808 D1809P1530-C1624 HydrophobicContact CB-CB 4.07Å; P1530-C1624 HydrophobicContact CG-CB 4.19Å; P1530-V1627 WeakPolarHBondContact CD-O 3.44Å; P1530-Y1808 WeakPolarHBondContact CA-O 3.39Å; P1530-D1809 HydrophobicContact CB-CB 4.21Å; P1530-D1809 HydrophobicContact CG-CB 4.11Å
1531V88.3Confident68.3Low14 Ų1468.8 Ų68.89%0.08538%0.378CS..EExtended strand (participates in β ladder)trans-118.8149.4-175.6-69.90000112.5T1529 K1535 F1536 Y1807 Y1808T1529-V1531 PolarHBondContact O-N 3.24Å; V1531-K1535 HydrophobicContact CB-CB 4.3Å; V1531-F1536 HydrophobicContact CG2-CB 3.9Å; V1531-F1536 HydrophobicContact CG2-CD2 3.65Å; V1531-F1536 HydrophobicContact CG2-CG 4.28Å; V1531-Y1807 WeakPolarHBondContact O-CA 3.31Å; V1531-Y1808 PolarHBondContact N-O 3.05Å; V1531-Y1808 PolarHBondContact O-N 3.47Å
1532T90Very high71.1Confident32 Ų3267.8 Ų67.820%0.19637%0.373CS..EExtended strand (participates in β ladder)trans-73158.917162.20000111.3S1534 K1535 F1536 V1806 Y1807T1532-S1534 VanDerWaalsContact C-N 3.28Å; T1532-S1534 PolarHBondContact O-N 2.81Å; T1532-S1534 PolarHBondContact OG1-OG 2.81Å; T1532-K1535 PolarHBondContact O-N 2.82Å; T1532-K1535 VanDerWaalsContact O-N 3.13Å; T1532-K1535 PolarHBondContact OG1-N 2.86Å; T1532-F1536 WeakPolarHBondContact O-CB 3.37Å; T1532-F1536 PolarHBondContact O-N 2.87Å; T1532-V1806 WeakPolarHBondContact CA-O 3.36Å; T1532-V1806 HydrophobicContact CG2-CG1 4.27Å; T1532-Y1807 HydrophobicContact CG2-CD1 4.02Å; T1532-Y1807 HydrophobicContact CG2-CE1 3.79Å
1533T83.9Confident74.1Confident41 Ų4166 Ų6625%0.25236%0.356SS..Hα-helixtrans-51.8-44.9175.832.60000112.9F1536 M1537 Y1808 F1842T1533-F1536 PolarHBondContact O-N 2.9Å; T1533-M1537 WeakPolarHBondContact O-CG 3.24Å; T1533-M1537 PolarHBondContact O-N 2.9Å; T1533-M1537 VanDerWaalsContact O-N 3.09Å; T1533-Y1808 HydrophobicContact CG2-CD2 4.28Å; T1533-Y1808 HydrophobicContact CG2-CE2 3.64Å; T1533-F1842 HydrophobicContact CG2-CB 3.97Å; T1533-F1842 HydrophobicContact CG2-CD1 3.93Å; T1533-F1842 HydrophobicContact CG2-CD2 4.23Å; T1533-F1842 HydrophobicContact CG2-CG 3.78Å
1534S84Confident76.9Confident78 Ų7863.9 Ų63.955%0.54535%0.345SS..Hα-helixtrans-62.4-44.217849.70000112.8T1532 A1538T1532-S1534 VanDerWaalsContact C-N 3.28Å; T1532-S1534 PolarHBondContact O-N 2.81Å; T1532-S1534 PolarHBondContact OG1-OG 2.81Å; S1534-A1538 PolarHBondContact O-N 2.83Å
1535K87.8Confident79.7Confident139 Ų13967 Ų6760%0.60435%0.349SS*.Hα-helixtrans-69-37.7176.1-83.9-172.9173.3-177.90112.3V1531 T1532 A1538 Q1539V1531-K1535 HydrophobicContact CB-CB 4.3Å; T1532-K1535 PolarHBondContact O-N 2.82Å; T1532-K1535 VanDerWaalsContact O-N 3.13Å; T1532-K1535 PolarHBondContact OG1-N 2.86Å; K1535-A1538 PolarHBondContact O-N 3.06Å; K1535-Q1539 WeakPolarHBondContact O-CB 3.5Å; K1535-Q1539 PolarHBondContact O-N 2.86Å
1536F90.8Very high82Confident8 Ų867.1 Ų67.14%0.03535%0.35CS..Hα-helixtrans-60.5-47.7178.3-172.3-81000111V1531 T1532 T1533 A1538 Q1539 Y1540 I1810 H1835 A1838 N1839 F1842V1531-F1536 HydrophobicContact CG2-CB 3.9Å; V1531-F1536 HydrophobicContact CG2-CD2 3.65Å; V1531-F1536 HydrophobicContact CG2-CG 4.28Å; T1532-F1536 WeakPolarHBondContact O-CB 3.37Å; T1532-F1536 PolarHBondContact O-N 2.87Å; T1533-F1536 PolarHBondContact O-N 2.9Å; F1536-A1538 VanDerWaalsContact C-N 3.32Å; F1536-A1538 PolarHBondContact O-N 3.33Å; F1536-Q1539 PolarHBondContact O-N 2.85Å; F1536-Y1540 WeakPolarHBondContact O-CB 3.4Å; F1536-Y1540 PolarHBondContact O-N 2.81Å; F1536-I1810 HydrophobicContact CE2-CD1 3.68Å; F1536-I1810 HydrophobicContact CE2-CG1 4.35Å; F1536-I1810 HydrophobicContact CZ-CD1 3.67Å; F1536-H1835 AromaticContact CE2-CD2 3.99Å; F1536-H1835 HydrophobicContact CZ-CB 4.37Å; F1536-H1835 AromaticContact CZ-CD2 3.73Å; F1536-A1838 HydrophobicContact CD1-CB 4.47Å; F1536-A1838 HydrophobicContact CE1-CB 3.53Å; F1536-A1838 HydrophobicContact CE2-CB 4.34Å; F1536-A1838 HydrophobicContact CZ-CB 3.45Å; F1536-A1838 VanDerWaalsContact CZ-CB 3.45Å; F1536-N1839 HydrophobicContact CE1-CB 4.26Å; F1536-F1842 HydrophobicContact CB-CD2 4.16Å; F1536-F1842 HydrophobicContact CB-CE2 4.29Å; F1536-F1842 AromaticContact CD1-CD2 3.55Å; F1536-F1842 HydrophobicContact CD1-CD2 3.55Å; F1536-F1842 AromaticContact CD1-CE2 3.71Å; F1536-F1842 HydrophobicContact CD1-CE2 3.71Å; F1536-F1842 HydrophobicContact CD2-CE2 4.13Å; F1536-F1842 HydrophobicContact CE1-CD2 4.14Å; F1536-F1842 HydrophobicContact CE1-CE2 4.06Å; F1536-F1842 HydrophobicContact CE2-CE2 4.46Å; F1536-F1842 AromaticContact CG-CD2 3.87Å; F1536-F1842 HydrophobicContact CG-CD2 3.87Å; F1536-F1842 AromaticContact CG-CE2 3.76Å; F1536-F1842 HydrophobicContact CG-CE2 3.76Å; F1536-F1842 HydrophobicContact CZ-CE2 4.43Å
1537M89.2Confident84Confident50 Ų5062.9 Ų62.925%0.24634%0.34CS..Hα-helixtrans-60.8-41.4178.2-70.8-169.7-76.100112T1533 Y1540 E1541 F1842 R1843T1533-M1537 WeakPolarHBondContact O-CG 3.24Å; T1533-M1537 PolarHBondContact O-N 2.9Å; T1533-M1537 VanDerWaalsContact O-N 3.09Å; M1537-Y1540 PolarHBondContact O-N 3.04Å; M1537-E1541 PolarHBondContact O-N 3Å; M1537-E1541 VanDerWaalsContact O-N 3.12Å; M1537-F1842 HydrophobicContact CG-CB 4.25Å; M1537-F1842 HydrophobicContact SD-CB 4.41Å; M1537-R1843 HydrophobicContact CG-CG 4.45Å; M1537-R1843 HydrophobicContact SD-CB 4.34Å; M1537-R1843 HydrophobicContact SD-CG 3.43Å; M1537-R1843 WeakPolarHBondContact SD-CG 3.49Å
1538A86.7Confident85.3Confident61 Ų6162.2 Ų62.250%0.50434%0.339SS..Hα-helixtrans-66.3-42.1176.100000112.6S1534 K1535 F1536 E1541 N1542S1534-A1538 PolarHBondContact O-N 2.83Å; K1535-A1538 PolarHBondContact O-N 3.06Å; F1536-A1538 VanDerWaalsContact C-N 3.32Å; F1536-A1538 PolarHBondContact O-N 3.33Å; A1538-E1541 PolarHBondContact O-N 3.29Å; A1538-N1542 PolarHBondContact O-N 2.72Å
1539Q87.2Confident86.1Confident78 Ų7863 Ų6336%0.36435%0.348SS..Hα-helixtrans-62.7-43.6175.2-92.5-171.5-6.600111.7K1535 F1536 E1541 N1542 Y1543K1535-Q1539 WeakPolarHBondContact O-CB 3.5Å; K1535-Q1539 PolarHBondContact O-N 2.86Å; F1536-Q1539 PolarHBondContact O-N 2.85Å; Q1539-E1541 PolarHBondContact O-N 2.77Å; Q1539-N1542 CarbonylContact O-C 3.6Å; Q1539-N1542 WeakPolarHBondContact O-CA 3.28Å; Q1539-N1542 WeakPolarHBondContact O-CB 3.38Å; Q1539-N1542 PolarHBondContact O-N 2.85Å; Q1539-Y1543 HydrophobicContact CB-CD2 4.45Å; Q1539-Y1543 HydrophobicContact CB-CE2 3.8Å; Q1539-Y1543 VanDerWaalsContact CD-OH 3.22Å; Q1539-Y1543 HydrophobicContact CG-CE2 4.49Å; Q1539-Y1543 WeakPolarHBondContact O-CD2 3.42Å; Q1539-Y1543 VanDerWaalsContact O-CG 3.27Å; Q1539-Y1543 PolarHBondContact O-N 3.13Å; Q1539-Y1543 PolarHBondContact OE1-OH 2.7Å; Q1539-Y1543 VanDerWaalsContact OE1-OH 3.09Å
1540Y89.6Confident86.3Confident32 Ų3260.5 Ų60.513%0.12534%0.336CS..Hα-helixtrans-61.5-43.7179.2177.8-93.1000112.1F1536 M1537 N1542 Y1543 S1544 F1548 H1835 Q1836 N1839F1536-Y1540 WeakPolarHBondContact O-CB 3.4Å; F1536-Y1540 PolarHBondContact O-N 2.81Å; M1537-Y1540 PolarHBondContact O-N 3.04Å; Y1540-N1542 PolarHBondContact O-N 2.98Å; Y1540-Y1543 PolarHBondContact O-N 3.16Å; Y1540-S1544 PolarHBondContact O-N 2.71Å; Y1540-F1548 HydrophobicContact CE2-CE1 4.12Å; Y1540-H1835 HydrophobicContact CD2-CB 4.04Å; Y1540-H1835 HydrophobicContact CE2-CB 4.22Å; Y1540-Q1836 HydrophobicContact CE2-CB 4.33Å; Y1540-Q1836 HydrophobicContact CE2-CG 3.97Å; Y1540-Q1836 WeakPolarHBondContact OH-CG 3.47Å; Y1540-N1839 HydrophobicContact CD1-CB 3.6Å; Y1540-N1839 WeakPolarHBondContact CD1-ND2 3.3Å; Y1540-N1839 WeakPolarHBondContact CD1-OD1 3.49Å; Y1540-N1839 HydrophobicContact CD2-CB 4Å; Y1540-N1839 HydrophobicContact CE1-CB 3.96Å; Y1540-N1839 WeakPolarHBondContact CE1-ND2 3.44Å; Y1540-N1839 HydrophobicContact CE2-CB 4.33Å; Y1540-N1839 HydrophobicContact CG-CB 3.62Å
1541E86.8Confident86.5Confident95 Ų9560.3 Ų60.344%0.44434%0.335SS..Hα-helixtrans-56.9-37173.4-79.1-169.217700111.3M1537 A1538 Q1539 S1544 K1545 R1843M1537-E1541 PolarHBondContact O-N 3Å; M1537-E1541 VanDerWaalsContact O-N 3.12Å; A1538-E1541 PolarHBondContact O-N 3.29Å; Q1539-E1541 PolarHBondContact O-N 2.77Å; E1541-S1544 PolarHBondContact O-N 2.54Å; E1541-S1544 PolarHBondContact O-OG 2.96Å; E1541-K1545 WeakPolarHBondContact O-CG 3.48Å; E1541-K1545 PolarHBondContact O-N 2.99Å; E1541-R1843 IonicContact OE1-CZ 3.73Å; E1541-R1843 IonicContact OE1-NH2 3.89Å; E1541-R1843 PolarHBondContact OE1-NH2 2.74Å
1542N84.9Confident86.5Confident104 Ų10464.6 Ų64.656%0.55635%0.352SS*.Hα-helixtrans-70.4-44.6176.7-134.625.4000112.7A1538 Q1539 Y1540 S1544 K1545A1538-N1542 PolarHBondContact O-N 2.72Å; Q1539-N1542 CarbonylContact O-C 3.6Å; Q1539-N1542 WeakPolarHBondContact O-CA 3.28Å; Q1539-N1542 WeakPolarHBondContact O-CB 3.38Å; Q1539-N1542 PolarHBondContact O-N 2.85Å; Y1540-N1542 PolarHBondContact O-N 2.98Å; N1542-S1544 PolarHBondContact O-N 3.19Å; N1542-K1545 WeakPolarHBondContact O-CB 3.42Å; N1542-K1545 PolarHBondContact O-N 2.96Å; N1542-K1545 VanDerWaalsContact O-N 3.14Å
1543Y87.3Confident86.3Confident40 Ų4065.5 Ų65.516%0.15736%0.358CS..Hα-helixtrans-62-28.6174.7-57.7-34.2000112.7Q1539 Y1540 K1545 F1548 A1550 L1551Q1539-Y1543 HydrophobicContact CB-CD2 4.45Å; Q1539-Y1543 HydrophobicContact CB-CE2 3.8Å; Q1539-Y1543 VanDerWaalsContact CD-OH 3.22Å; Q1539-Y1543 HydrophobicContact CG-CE2 4.49Å; Q1539-Y1543 WeakPolarHBondContact O-CD2 3.42Å; Q1539-Y1543 VanDerWaalsContact O-CG 3.27Å; Q1539-Y1543 PolarHBondContact O-N 3.13Å; Q1539-Y1543 PolarHBondContact OE1-OH 2.7Å; Q1539-Y1543 VanDerWaalsContact OE1-OH 3.09Å; Y1540-Y1543 PolarHBondContact O-N 3.16Å; Y1543-K1545 VanDerWaalsContact C-N 3.32Å; Y1543-F1548 VanDerWaalsContact O-CA 3.27Å; Y1543-F1548 WeakPolarHBondContact O-CA 3.33Å; Y1543-F1548 WeakPolarHBondContact O-CD1 3.41Å; Y1543-F1548 PolarHBondContact O-N 3.3Å; Y1543-A1550 HydrophobicContact CD1-CB 3.69Å; Y1543-A1550 HydrophobicContact CE1-CB 3.89Å; Y1543-L1551 HydrophobicContact CD2-CD1 4.23Å; Y1543-L1551 HydrophobicContact CD2-CD2 3.61Å; Y1543-L1551 HydrophobicContact CD2-CG 3.96Å; Y1543-L1551 HydrophobicContact CE2-CD2 3.78Å; Y1543-L1551 HydrophobicContact CG-CD1 4.44Å; Y1543-L1551 HydrophobicContact CG-CD2 4.07Å; Y1543-L1551 HydrophobicContact CG-CG 3.99Å
1544S84.5Confident86.5Confident52 Ų5264.6 Ų64.636%0.36435%0.35SS..Hα-helixtrans-71.7-27.6177.575.10000112.9Y1540 E1541 N1542Y1540-S1544 PolarHBondContact O-N 2.71Å; E1541-S1544 PolarHBondContact O-N 2.54Å; E1541-S1544 PolarHBondContact O-OG 2.96Å; N1542-S1544 PolarHBondContact O-N 3.19Å
1545K83.1Confident87Confident161 Ų16161.2 Ų61.270%0.733%0.326SS*.Hα-helixtrans-71.7-28.6-178.1-70.6172.2-174.1173.20113.2E1541 N1542 Y1543E1541-K1545 WeakPolarHBondContact O-CG 3.48Å; E1541-K1545 PolarHBondContact O-N 2.99Å; N1542-K1545 WeakPolarHBondContact O-CB 3.42Å; N1542-K1545 PolarHBondContact O-N 2.96Å; N1542-K1545 VanDerWaalsContact O-N 3.14Å; Y1543-K1545 VanDerWaalsContact C-N 3.32Å
1546D82.6Confident87Confident67 Ų6759.9 Ų59.936%0.35832%0.322SS..THydrogen-bonded Turntrans-98.519.5-176.679.3-8.5000113.6F1548 A1549 A1550D1546-F1548 PolarHBondContact O-N 2.6Å; D1546-F1548 WeakPolarHBondContact OD1-CA 3.38Å; D1546-F1548 PolarHBondContact OD1-N 2.84Å; D1546-A1549 HydrophobicContact CB-CB 4.45Å; D1546-A1549 PolarHBondContact O-N 3.11Å; D1546-A1549 PolarHBondContact OD1-N 3.43Å; D1546-A1549 WeakPolarHBondContact OD2-CB 3.28Å; D1546-A1550 PolarHBondContact OD2-N 2.88Å; D1546-A1550 VanDerWaalsContact OD2-N 3.13Å
1547S83.6Confident86.7Confident89 Ų8960.9 Ų60.962%0.62233%0.327SS*.THydrogen-bonded Turntrans54.736-171.5-55.30000112.9A1549S1547-A1549 VanDerWaalsContact C-N 3.31Å; S1547-A1549 PolarHBondContact O-N 3.32Å
1548F89.5Confident86.8Confident43 Ų4358.5 Ų58.519%0.18932%0.316CS..THydrogen-bonded Turntrans61.529.8178.1-48.2-75.2000114.5Y1540 Y1543 D1546 A1550 L1551 K1552 I1832Y1540-F1548 HydrophobicContact CE2-CE1 4.12Å; Y1543-F1548 VanDerWaalsContact O-CA 3.27Å; Y1543-F1548 WeakPolarHBondContact O-CA 3.33Å; Y1543-F1548 WeakPolarHBondContact O-CD1 3.41Å; Y1543-F1548 PolarHBondContact O-N 3.3Å; D1546-F1548 PolarHBondContact O-N 2.6Å; D1546-F1548 WeakPolarHBondContact OD1-CA 3.38Å; D1546-F1548 PolarHBondContact OD1-N 2.84Å; F1548-A1550 VanDerWaalsContact C-N 3.33Å; F1548-A1550 PolarHBondContact O-N 2.7Å; F1548-L1551 HydrophobicContact CB-CB 4.38Å; F1548-L1551 HydrophobicContact CB-CD1 4.38Å; F1548-L1551 HydrophobicContact CD1-CD1 3.88Å; F1548-L1551 PolarHBondContact O-N 2.94Å; F1548-K1552 WeakPolarHBondContact O-CG 3.28Å; F1548-K1552 PolarHBondContact O-N 2.83Å; F1548-K1552 VanDerWaalsContact O-N 3.13Å; F1548-I1832 HydrophobicContact CB-CD1 3.75Å; F1548-I1832 HydrophobicContact CB-CG1 4.07Å; F1548-I1832 HydrophobicContact CB-CG2 4.27Å; F1548-I1832 HydrophobicContact CD1-CG2 3.96Å; F1548-I1832 HydrophobicContact CD2-CG2 3.95Å; F1548-I1832 HydrophobicContact CE1-CG2 4.24Å; F1548-I1832 HydrophobicContact CE2-CG2 4.26Å; F1548-I1832 HydrophobicContact CG-CD1 4.36Å; F1548-I1832 HydrophobicContact CG-CG2 3.79Å; F1548-I1832 HydrophobicContact CZ-CG2 4.39Å
1549A82.4Confident86.8Confident46 Ų4658.1 Ų58.138%0.3830%0.304SS..Hα-helixtrans-60.6-42.7179.700000111.5D1546 S1547 L1551 K1552 V1553D1546-A1549 HydrophobicContact CB-CB 4.45Å; D1546-A1549 PolarHBondContact O-N 3.11Å; D1546-A1549 PolarHBondContact OD1-N 3.43Å; D1546-A1549 WeakPolarHBondContact OD2-CB 3.28Å; S1547-A1549 VanDerWaalsContact C-N 3.31Å; S1547-A1549 PolarHBondContact O-N 3.32Å; A1549-L1551 PolarHBondContact O-N 3.4Å; A1549-K1552 WeakPolarHBondContact O-CB 3.28Å; A1549-K1552 PolarHBondContact O-N 3.28Å; A1549-V1553 PolarHBondContact O-N 2.89Å
1550A83.6Confident86.5Confident37 Ų3757.9 Ų57.931%0.30631%0.312SS..Hα-helixtrans-59.3-42.3175.900000113.3Y1543 D1546 F1548 K1552 V1553 Q1554Y1543-A1550 HydrophobicContact CD1-CB 3.69Å; Y1543-A1550 HydrophobicContact CE1-CB 3.89Å; D1546-A1550 PolarHBondContact OD2-N 2.88Å; D1546-A1550 VanDerWaalsContact OD2-N 3.13Å; F1548-A1550 VanDerWaalsContact C-N 3.33Å; F1548-A1550 PolarHBondContact O-N 2.7Å; A1550-K1552 VanDerWaalsContact C-N 3.31Å; A1550-K1552 PolarHBondContact O-N 2.94Å; A1550-V1553 WeakPolarHBondContact O-CB 3.33Å; A1550-V1553 PolarHBondContact O-N 3.3Å; A1550-Q1554 PolarHBondContact O-N 3.28Å
1551L90.3Very high86.1Confident0 Ų059 Ų590%032%0.32CS..Hα-helixtrans-67.5-32.2178-65.6-177.3000112.2Y1543 F1548 A1549 V1553 Q1554 Y1555 Y1831 I1832 H1835Y1543-L1551 HydrophobicContact CD2-CD1 4.23Å; Y1543-L1551 HydrophobicContact CD2-CD2 3.61Å; Y1543-L1551 HydrophobicContact CD2-CG 3.96Å; Y1543-L1551 HydrophobicContact CE2-CD2 3.78Å; Y1543-L1551 HydrophobicContact CG-CD1 4.44Å; Y1543-L1551 HydrophobicContact CG-CD2 4.07Å; Y1543-L1551 HydrophobicContact CG-CG 3.99Å; F1548-L1551 HydrophobicContact CB-CB 4.38Å; F1548-L1551 HydrophobicContact CB-CD1 4.38Å; F1548-L1551 HydrophobicContact CD1-CD1 3.88Å; F1548-L1551 PolarHBondContact O-N 2.94Å; A1549-L1551 PolarHBondContact O-N 3.4Å; L1551-V1553 VanDerWaalsContact C-N 3.3Å; L1551-V1553 PolarHBondContact O-N 2.68Å; L1551-Q1554 PolarHBondContact O-N 3.01Å; L1551-Y1555 WeakPolarHBondContact O-CB 3.49Å; L1551-Y1555 PolarHBondContact O-N 2.93Å; L1551-Y1831 HydrophobicContact CB-CD1 4.47Å; L1551-Y1831 HydrophobicContact CB-CE1 4.43Å; L1551-Y1831 HydrophobicContact CD2-CE1 4.27Å; L1551-I1832 HydrophobicContact CB-CG1 3.98Å; L1551-I1832 HydrophobicContact CD1-CG1 4.15Å; L1551-I1832 HydrophobicContact CD1-CG2 4.44Å; L1551-H1835 HydrophobicContact CD1-CB 3.93Å
1552K89.7Confident85.9Confident104 Ų10455 Ų5545%0.45230%0.302SS..Hα-helixtrans-63.6-39.4174.3-67.5169.7-176166.70111.7F1548 A1549 A1550 Q1556 V1828 I1832F1548-K1552 WeakPolarHBondContact O-CG 3.28Å; F1548-K1552 PolarHBondContact O-N 2.83Å; F1548-K1552 VanDerWaalsContact O-N 3.13Å; A1549-K1552 WeakPolarHBondContact O-CB 3.28Å; A1549-K1552 PolarHBondContact O-N 3.28Å; A1550-K1552 VanDerWaalsContact C-N 3.31Å; A1550-K1552 PolarHBondContact O-N 2.94Å; K1552-Q1556 PolarHBondContact O-N 3.37Å; K1552-V1828 HydrophobicContact CB-CG2 4.02Å; K1552-V1828 HydrophobicContact CG-CG2 3.69Å; K1552-I1832 HydrophobicContact CG-CD1 4.3Å
1553V84.6Confident85.4Confident51 Ų5156.3 Ų56.331%0.30931%0.305SS..Hα-helixtrans-66.8-49.2175.4174.10000110.6L1521 I1525 A1549 A1550 L1551 Y1555 Q1556 L1557L1521-V1553 HydrophobicContact CD2-CG1 4.36Å; L1521-V1553 HydrophobicContact CD2-CG2 4.45Å; I1525-V1553 HydrophobicContact CD1-CG1 3.5Å; A1549-V1553 PolarHBondContact O-N 2.89Å; A1550-V1553 WeakPolarHBondContact O-CB 3.33Å; A1550-V1553 PolarHBondContact O-N 3.3Å; L1551-V1553 VanDerWaalsContact C-N 3.3Å; L1551-V1553 PolarHBondContact O-N 2.68Å; V1553-Y1555 PolarHBondContact O-N 2.84Å; V1553-Q1556 WeakPolarHBondContact O-CB 3.41Å; V1553-Q1556 PolarHBondContact O-N 3Å; V1553-L1557 HydrophobicContact CG1-CD1 4.32Å; V1553-L1557 PolarHBondContact O-N 3.38Å
1554Q89.6Confident84.8Confident21 Ų2161 Ų6110%0.09833%0.326CS..Hα-helixtrans-56.5-36.9178.5-164.9-177.550.100112.3W1527 P1528 A1550 L1551 Q1556 L1557 I1558 Y1831W1527-Q1554 HydrophobicContact CZ3-CG 4.42Å; P1528-Q1554 HydrophobicContact CG-CG 3.71Å; A1550-Q1554 PolarHBondContact O-N 3.28Å; L1551-Q1554 PolarHBondContact O-N 3.01Å; Q1554-Q1556 PolarHBondContact O-N 2.89Å; Q1554-L1557 WeakPolarHBondContact O-CB 3.41Å; Q1554-L1557 PolarHBondContact O-N 2.83Å; Q1554-I1558 PolarHBondContact O-N 2.86Å; Q1554-Y1831 HydrophobicContact CB-CE1 4.14Å; Q1554-Y1831 HydrophobicContact CG-CE1 4.25Å; Q1554-Y1831 WeakPolarHBondContact CG-OH 3.47Å; Q1554-Y1831 VanDerWaalsContact OE1-CZ 3.25Å; Q1554-Y1831 PolarHBondContact OE1-OH 3Å
1555Y92.7Very high84.4Confident8 Ų859.8 Ų59.83%0.03132%0.316CS..Hα-helixtrans-64.2-37175-174.5-106.3000113.6L1551 V1553 L1557 I1558 I1559 R1818 V1825 Q1826 K1827 V1828 Y1831L1551-Y1555 WeakPolarHBondContact O-CB 3.49Å; L1551-Y1555 PolarHBondContact O-N 2.93Å; V1553-Y1555 PolarHBondContact O-N 2.84Å; Y1555-L1557 VanDerWaalsContact C-N 3.29Å; Y1555-L1557 PolarHBondContact O-N 3.33Å; Y1555-I1558 HydrophobicContact CD2-CD1 4.42Å; Y1555-I1558 WeakPolarHBondContact O-CB 3.45Å; Y1555-I1558 PolarHBondContact O-N 3.44Å; Y1555-I1559 HydrophobicContact CD1-CD1 4.04Å; Y1555-I1559 HydrophobicContact CE1-CD1 3.56Å; Y1555-I1559 HydrophobicContact CE1-CG1 4.24Å; Y1555-I1559 PolarHBondContact O-N 3.06Å; Y1555-R1818 PolarHBondContact OH-NH2 3.41Å; Y1555-V1825 HydrophobicContact CE2-CG1 4.35Å; Y1555-V1825 WeakPolarHBondContact CE2-O 3.23Å; Y1555-V1825 PolarHBondContact OH-O 2.83Å; Y1555-Q1826 WeakPolarHBondContact OH-CA 3.48Å; Y1555-Q1826 PolarHBondContact OH-O 2.94Å; Y1555-K1827 PolarHBondContact OH-N 3.24Å; Y1555-V1828 HydrophobicContact CD1-CB 3.63Å; Y1555-V1828 HydrophobicContact CD1-CG2 3.98Å; Y1555-V1828 HydrophobicContact CE1-CB 4.15Å; Y1555-V1828 HydrophobicContact CG-CB 4.05Å; Y1555-V1828 HydrophobicContact CG-CG2 4Å; Y1555-Y1831 VanDerWaalsContact CD2-CB 3.48Å; Y1555-Y1831 HydrophobicContact CD2-CD1 4.13Å; Y1555-Y1831 HydrophobicContact CD2-CD2 4.13Å; Y1555-Y1831 AromaticContact CD2-CG 3.65Å; Y1555-Y1831 HydrophobicContact CD2-CG 3.65Å; Y1555-Y1831 HydrophobicContact CG-CD1 4.43Å; Y1555-Y1831 HydrophobicContact CG-CG 4.35Å
1556Q87.7Confident84Confident111 Ų11154.4 Ų54.452%0.51929%0.294SS..Hα-helixtrans-66.6-31.7175.6-65.2-62.7-14.900112.1K1552 V1553 Q1554 I1559 S1560K1552-Q1556 PolarHBondContact O-N 3.37Å; V1553-Q1556 WeakPolarHBondContact O-CB 3.41Å; V1553-Q1556 PolarHBondContact O-N 3Å; Q1554-Q1556 PolarHBondContact O-N 2.89Å; Q1556-I1559 PolarHBondContact O-N 2.99Å; Q1556-S1560 PolarHBondContact O-N 3.41Å; Q1556-S1560 PolarHBondContact O-OG 2.89Å
1557L86Confident83.3Confident28 Ų2858.8 Ų58.815%0.14731%0.312CS..Hα-helixtrans-66.2-39.4171.3-83.9121000112.8I1525 W1527 V1553 Q1554 Y1555 I1559 S1560 N1561I1525-L1557 HydrophobicContact CB-CD1 3.6Å; I1525-L1557 HydrophobicContact CB-CD2 3.99Å; I1525-L1557 HydrophobicContact CB-CG 4.35Å; I1525-L1557 HydrophobicContact CD1-CD1 3.76Å; I1525-L1557 HydrophobicContact CG1-CD1 4.27Å; I1525-L1557 HydrophobicContact CG2-CD1 3.25Å; I1525-L1557 HydrophobicContact CG2-CD2 4.2Å; I1525-L1557 HydrophobicContact CG2-CG 4.34Å; I1525-L1557 WeakPolarHBondContact O-CD2 3.43Å; W1527-L1557 HydrophobicContact CE3-CB 3.86Å; W1527-L1557 HydrophobicContact CE3-CD2 4.01Å; W1527-L1557 HydrophobicContact CE3-CG 4.46Å; W1527-L1557 HydrophobicContact CH2-CB 4.22Å; W1527-L1557 HydrophobicContact CZ3-CB 3.37Å; W1527-L1557 HydrophobicContact CZ3-CD2 4.37Å; W1527-L1557 HydrophobicContact CZ3-CG 4.34Å; V1553-L1557 HydrophobicContact CG1-CD1 4.32Å; V1553-L1557 PolarHBondContact O-N 3.38Å; Q1554-L1557 WeakPolarHBondContact O-CB 3.41Å; Q1554-L1557 PolarHBondContact O-N 2.83Å; Y1555-L1557 VanDerWaalsContact C-N 3.29Å; Y1555-L1557 PolarHBondContact O-N 3.33Å; L1557-I1559 VanDerWaalsContact C-N 3.25Å; L1557-I1559 PolarHBondContact O-N 3.46Å; L1557-S1560 PolarHBondContact O-N 2.82Å; L1557-N1561 WeakPolarHBondContact O-CB 3.47Å; L1557-N1561 PolarHBondContact O-N 3.33Å; L1557-N1561 PolarHBondContact O-ND2 2.82Å
1558I89.8Confident82.5Confident0 Ų057.2 Ų57.20%030%0.302CS..Hα-helixtrans-57.8-43.5174.6-62.8174.7000110.3W1527 Q1554 Y1555 S1562 P1811 I1814 L1815 Y1831W1527-I1558 HydrophobicContact CH2-CB 4.44Å; W1527-I1558 HydrophobicContact CH2-CD1 4.42Å; W1527-I1558 HydrophobicContact CH2-CG1 3.42Å; W1527-I1558 VanDerWaalsContact CH2-CG1 3.42Å; W1527-I1558 HydrophobicContact CZ2-CG1 4.05Å; W1527-I1558 HydrophobicContact CZ3-CG1 4.43Å; Q1554-I1558 PolarHBondContact O-N 2.86Å; Y1555-I1558 HydrophobicContact CD2-CD1 4.42Å; Y1555-I1558 WeakPolarHBondContact O-CB 3.45Å; Y1555-I1558 PolarHBondContact O-N 3.44Å; I1558-S1562 WeakPolarHBondContact O-CB 3.43Å; I1558-S1562 PolarHBondContact O-N 3.26Å; I1558-S1562 PolarHBondContact O-OG 2.85Å; I1558-S1562 VanDerWaalsContact O-OG 3.12Å; I1558-P1811 HydrophobicContact CD1-CB 4.16Å; I1558-P1811 HydrophobicContact CG1-CB 4.3Å; I1558-I1814 HydrophobicContact CD1-CB 4.43Å; I1558-I1814 HydrophobicContact CD1-CD1 4.07Å; I1558-I1814 HydrophobicContact CD1-CG2 4.43Å; I1558-I1814 HydrophobicContact CG2-CB 4.38Å; I1558-I1814 HydrophobicContact CG2-CG2 3.61Å; I1558-L1815 HydrophobicContact CG2-CD2 4.36Å; I1558-Y1831 HydrophobicContact CD1-CD2 3.84Å; I1558-Y1831 HydrophobicContact CD1-CE2 3.31Å
1559I87.5Confident81.7Confident53 Ų5357.2 Ų57.227%0.27230%0.303SS..Hα-helixtrans-59.8-52177.3-65.6169000110.5Y1555 Q1556 L1557 S1562 Q1563Y1555-I1559 HydrophobicContact CD1-CD1 4.04Å; Y1555-I1559 HydrophobicContact CE1-CD1 3.56Å; Y1555-I1559 HydrophobicContact CE1-CG1 4.24Å; Y1555-I1559 PolarHBondContact O-N 3.06Å; Q1556-I1559 PolarHBondContact O-N 2.99Å; L1557-I1559 VanDerWaalsContact C-N 3.25Å; L1557-I1559 PolarHBondContact O-N 3.46Å; I1559-S1562 PolarHBondContact O-N 2.81Å; I1559-S1562 PolarHBondContact O-OG 2.82Å; I1559-Q1563 PolarHBondContact O-N 2.85Å
1560S80.5Confident81.5Confident74 Ų7462.6 Ų62.652%0.51732%0.323SS..Hα-helixtrans-61.7-49.5-177.3-52.40000111.9Q1556 L1557 S1562 Q1563 F1564Q1556-S1560 PolarHBondContact O-N 3.41Å; Q1556-S1560 PolarHBondContact O-OG 2.89Å; L1557-S1560 PolarHBondContact O-N 2.82Å; S1560-S1562 VanDerWaalsContact C-N 3.32Å; S1560-S1562 PolarHBondContact O-N 3.18Å; S1560-Q1563 PolarHBondContact O-N 2.81Å; S1560-F1564 PolarHBondContact O-N 2.87Å
1561N81.9Confident81.6Confident55 Ų5561.6 Ų61.629%0.29431%0.312SS..Hα-helixtrans-65.6-33178.8-77.8-47.8000112.7L1557 Q1563 F1564 L1565 L1815L1557-N1561 WeakPolarHBondContact O-CB 3.47Å; L1557-N1561 PolarHBondContact O-N 3.33Å; L1557-N1561 PolarHBondContact O-ND2 2.82Å; N1561-Q1563 VanDerWaalsContact C-N 3.3Å; N1561-Q1563 PolarHBondContact O-N 2.95Å; N1561-F1564 WeakPolarHBondContact O-CB 3.38Å; N1561-F1564 PolarHBondContact O-N 2.81Å; N1561-L1565 WeakPolarHBondContact O-CG 3.07Å; N1561-L1565 PolarHBondContact O-N 2.81Å; N1561-L1565 VanDerWaalsContact O-N 3.1Å; N1561-L1815 HydrophobicContact CB-CD1 4.25Å; N1561-L1815 HydrophobicContact CB-CD2 3.76Å
1562S83Confident81.7Confident10 Ų1063.1 Ų63.17%0.0732%0.323CS..Hα-helixtrans-64.8-33.7176.867.10000113I1558 I1559 S1560 F1564 L1565 I1566 R1818I1558-S1562 WeakPolarHBondContact O-CB 3.43Å; I1558-S1562 PolarHBondContact O-N 3.26Å; I1558-S1562 PolarHBondContact O-OG 2.85Å; I1558-S1562 VanDerWaalsContact O-OG 3.12Å; I1559-S1562 PolarHBondContact O-N 2.81Å; I1559-S1562 PolarHBondContact O-OG 2.82Å; S1560-S1562 VanDerWaalsContact C-N 3.32Å; S1560-S1562 PolarHBondContact O-N 3.18Å; S1562-F1564 VanDerWaalsContact C-N 3.34Å; S1562-L1565 PolarHBondContact O-N 3.48Å; S1562-I1566 VanDerWaalsContact O-CG1 3.29Å; S1562-I1566 WeakPolarHBondContact O-CG1 3.43Å; S1562-I1566 PolarHBondContact O-N 2.89Å; S1562-I1566 VanDerWaalsContact O-N 3.16Å; S1562-R1818 VanDerWaalsContact CB-CD 3.42Å; S1562-R1818 PolarHBondContact OG-NH1 2.81Å; S1562-R1818 VanDerWaalsContact OG-NH1 3.12Å
1563Q74.2Confident81.8Confident132 Ų13260.5 Ų60.562%0.61731%0.312SS*.Hα-helixtrans-66.9-38175.6-69.9-166.6-25.200112.2I1559 S1560 N1561 I1566 Q1567I1559-Q1563 PolarHBondContact O-N 2.85Å; S1560-Q1563 PolarHBondContact O-N 2.81Å; N1561-Q1563 VanDerWaalsContact C-N 3.3Å; N1561-Q1563 PolarHBondContact O-N 2.95Å; Q1563-I1566 PolarHBondContact O-N 2.87Å; Q1563-Q1567 PolarHBondContact O-N 2.81Å
1564F75.1Confident82.1Confident139 Ų13964.3 Ų64.361%0.6133%0.327SS*.Hα-helixtrans-61.8-45.2174.1-177.6-96.2000111.6S1560 N1561 S1562 I1566 Q1567 S1568S1560-F1564 PolarHBondContact O-N 2.87Å; N1561-F1564 WeakPolarHBondContact O-CB 3.38Å; N1561-F1564 PolarHBondContact O-N 2.81Å; S1562-F1564 VanDerWaalsContact C-N 3.34Å; F1564-I1566 VanDerWaalsContact C-N 3.29Å; F1564-I1566 PolarHBondContact O-N 2.83Å; F1564-Q1567 PolarHBondContact O-N 2.85Å; F1564-S1568 PolarHBondContact O-N 2.8Å
1565L74.7Confident82.2Confident27 Ų2764.4 Ų64.414%0.14133%0.327CS..Hα-helixtrans-62.2-34178.4-68.4175.8000113.3N1561 S1562 S1568 D1569 L1815 R1819N1561-L1565 WeakPolarHBondContact O-CG 3.07Å; N1561-L1565 PolarHBondContact O-N 2.81Å; N1561-L1565 VanDerWaalsContact O-N 3.1Å; S1562-L1565 PolarHBondContact O-N 3.48Å; L1565-S1568 WeakPolarHBondContact CA-OG 3.5Å; L1565-S1568 PolarHBondContact O-OG 2.99Å; L1565-S1568 VanDerWaalsContact O-OG 3.14Å; L1565-D1569 WeakPolarHBondContact O-CB 3.48Å; L1565-D1569 PolarHBondContact O-N 2.82Å; L1565-L1815 HydrophobicContact CD1-CB 4.04Å; L1565-L1815 HydrophobicContact CD1-CD2 3.89Å; L1565-L1815 HydrophobicContact CD1-CG 4.42Å; L1565-R1819 HydrophobicContact CB-CG 4.17Å; L1565-R1819 HydrophobicContact CD1-CG 3.93Å
1566I74.9Confident82Confident47 Ų4764 Ų6424%0.24133%0.326CS..Hα-helixtrans-62-46.9176.1-68.9165.8000110.7S1562 Q1563 F1564 M1570 L1571 Y1593S1562-I1566 VanDerWaalsContact O-CG1 3.29Å; S1562-I1566 WeakPolarHBondContact O-CG1 3.43Å; S1562-I1566 PolarHBondContact O-N 2.89Å; S1562-I1566 VanDerWaalsContact O-N 3.16Å; Q1563-I1566 PolarHBondContact O-N 2.87Å; F1564-I1566 VanDerWaalsContact C-N 3.29Å; F1564-I1566 PolarHBondContact O-N 2.83Å; I1566-M1570 PolarHBondContact O-N 3.22Å; I1566-L1571 HydrophobicContact CG1-CD1 4.48Å; I1566-L1571 HydrophobicContact CG2-CB 4.23Å; I1566-L1571 PolarHBondContact O-N 3.34Å; I1566-Y1593 HydrophobicContact CD1-CE1 4.37Å; I1566-Y1593 WeakPolarHBondContact CD1-OH 3.31Å; I1566-Y1593 HydrophobicContact CG1-CE1 4.22Å; I1566-Y1593 WeakPolarHBondContact CG1-OH 3.23Å
1567Q69.1Low82.1Confident159 Ų15963.6 Ų63.674%0.74332%0.324SS*.Hα-helixtrans-68.6-43.5179-76.3179.3-9.600111.6Q1563 F1564 D1569 M1570Q1563-Q1567 PolarHBondContact O-N 2.81Å; F1564-Q1567 PolarHBondContact O-N 2.85Å; Q1567-D1569 PolarHBondContact O-N 2.78Å; Q1567-M1570 PolarHBondContact O-N 2.98Å
1568S65.1Low82.3Confident57 Ų5768.2 Ų68.240%0.39934%0.339SS..Hα-helixtrans-65.2-40.7-177.670.30000112.8F1564 L1565 M1570F1564-S1568 PolarHBondContact O-N 2.8Å; L1565-S1568 WeakPolarHBondContact CA-OG 3.5Å; L1565-S1568 PolarHBondContact O-OG 2.99Å; L1565-S1568 VanDerWaalsContact O-OG 3.14Å; S1568-M1570 PolarHBondContact O-N 2.58Å
1569D72.8Confident82.1Confident42 Ų4274.5 Ų74.523%0.22537%0.373CS..THydrogen-bonded Turntrans-86.86.5-177.7-70.612.8000112.7L1565 Q1567 L1571 R1635 R1819L1565-D1569 WeakPolarHBondContact O-CB 3.48Å; L1565-D1569 PolarHBondContact O-N 2.82Å; Q1567-D1569 PolarHBondContact O-N 2.78Å; D1569-L1571 HydrophobicContact CB-CD1 4.15Å; D1569-L1571 HydrophobicContact CB-CD2 4Å; D1569-L1571 HydrophobicContact CB-CG 3.71Å; D1569-L1571 PolarHBondContact O-N 2.79Å; D1569-R1635 IonicContact OD2-NH2 3.94Å; D1569-R1819 VanDerWaalsContact CG-NH2 3.35Å; D1569-R1819 IonicContact OD1-CZ 2.72Å; D1569-R1819 IonicContact OD1-NE 3.88Å; D1569-R1819 IonicContact OD1-NH2 2.75Å; D1569-R1819 PolarHBondContact OD1-NH2 3.15Å; D1569-R1819 IonicContact OD2-CZ 2.6Å; D1569-R1819 IonicContact OD2-NE 3.76Å; D1569-R1819 PolarHBondContact OD2-NE 2.87Å; D1569-R1819 IonicContact OD2-NH2 3.96Å; D1569-R1819 PolarHBondContact OD2-NH2 2.97Å; D1569-R1819 VanDerWaalsContact OD2-NH2 3.13Å
1570M79.2Confident82Confident160 Ų16075.9 Ų75.979%0.78838%0.384SS*.THydrogen-bonded Turntrans49.342.1-175.3-57.1-176.7-172.500112.3I1566 Q1567 S1568 S1572 Q1595I1566-M1570 PolarHBondContact O-N 3.22Å; Q1567-M1570 PolarHBondContact O-N 2.98Å; S1568-M1570 PolarHBondContact O-N 2.58Å; M1570-S1572 PolarHBondContact O-N 2.83Å; M1570-Q1595 PolarHBondContact O-NE2 2.87Å
1571L86.4Confident82.5Confident15 Ų1572.7 Ų72.78%0.07936%0.361CS..  trans-74.3122.6-179.2-58.8177.3000109.3I1566 D1569 Y1593 Q1595 R1819I1566-L1571 HydrophobicContact CG1-CD1 4.48Å; I1566-L1571 HydrophobicContact CG2-CB 4.23Å; I1566-L1571 PolarHBondContact O-N 3.34Å; D1569-L1571 HydrophobicContact CB-CD1 4.15Å; D1569-L1571 HydrophobicContact CB-CD2 4Å; D1569-L1571 HydrophobicContact CB-CG 3.71Å; D1569-L1571 PolarHBondContact O-N 2.79Å; L1571-Y1593 HydrophobicContact CB-CD1 3.78Å; L1571-Y1593 HydrophobicContact CB-CD2 4.3Å; L1571-Y1593 HydrophobicContact CB-CE1 4.08Å; L1571-Y1593 HydrophobicContact CB-CG 3.91Å; L1571-Y1593 HydrophobicContact CD1-CD2 3.85Å; L1571-Y1593 HydrophobicContact CD1-CE2 3.76Å; L1571-Y1593 HydrophobicContact CD1-CG 4.32Å; L1571-Y1593 HydrophobicContact CG-CD2 4.47Å; L1571-Y1593 HydrophobicContact CG-CG 4.5Å; L1571-Q1595 HydrophobicContact CD2-CB 3.99Å; L1571-Q1595 HydrophobicContact CD2-CG 3.94Å; L1571-R1819 HydrophobicContact CD1-CB 4.49Å; L1571-R1819 WeakPolarHBondContact CD1-O 3.49Å
1572S91.2Very high82.8Confident33 Ų3375.8 Ų75.823%0.23137%0.372CS..  trans-117.6156-176.163.60000110.4M1570 Y1593 D1594 Q1595M1570-S1572 PolarHBondContact O-N 2.83Å; S1572-Y1593 CarbonylContact O-C 3.57Å; S1572-Y1593 WeakPolarHBondContact O-CA 3.47Å; S1572-D1594 VanDerWaalsContact C-OD2 3.3Å; S1572-D1594 WeakPolarHBondContact CB-OD2 3.47Å; S1572-D1594 PolarHBondContact O-N 2.77Å; S1572-D1594 PolarHBondContact OG-OD2 3.27Å; S1572-Q1595 PolarHBondContact OG-NE2 3.33Å
1573Q91.5Very high83.2Confident48 Ų4882.7 Ų82.722%0.22440%0.397CS..  trans-121.321.6175.8-64.2174.2-51.700111.1I1575 G1576 Q1577 L1591 Y1593 P1822Q1573-I1575 VanDerWaalsContact C-N 3.33Å; Q1573-I1575 PolarHBondContact O-N 3.07Å; Q1573-G1576 PolarHBondContact O-N 3.34Å; Q1573-G1576 VanDerWaalsContact O-N 3.15Å; Q1573-Q1577 WeakPolarHBondContact O-CG 3.46Å; Q1573-Q1577 PolarHBondContact O-N 3.26Å; Q1573-L1591 HydrophobicContact CB-CB 3.98Å; Q1573-L1591 HydrophobicContact CB-CD1 4.19Å; Q1573-L1591 HydrophobicContact CG-CB 4.1Å; Q1573-L1591 PolarHBondContact NE2-O 2.85Å; Q1573-Y1593 HydrophobicContact CG-CD1 3.8Å; Q1573-Y1593 HydrophobicContact CG-CE1 4.24Å; Q1573-P1822 VanDerWaalsContact NE2-CG 3.31Å
1574E90.7Very high84Confident131 Ų13177.2 Ų77.261%0.61237%0.372SS*.Hα-helixtrans-61.4-40.3-169.7-70.9-173.3176.700111.8G1576 Q1577 R1578 D1594E1574-G1576 VanDerWaalsContact C-N 3.3Å; E1574-G1576 PolarHBondContact O-N 3.02Å; E1574-Q1577 CarbonylContact O-C 3.57Å; E1574-Q1577 PolarHBondContact O-N 2.98Å; E1574-Q1577 VanDerWaalsContact O-N 3.09Å; E1574-R1578 WeakPolarHBondContact O-CG 3.45Å; E1574-R1578 PolarHBondContact O-N 3.45Å; E1574-D1594 PolarHBondContact N-OD2 2.89Å
1575I91.6Very high84.9Confident23 Ų2371.3 Ų71.312%0.11835%0.347CS..Hα-helixtrans-64-40179.8-55.5-61.9000110.4Q1573 Q1577 R1578 N1581 D1594 Y1612Q1573-I1575 VanDerWaalsContact C-N 3.33Å; Q1573-I1575 PolarHBondContact O-N 3.07Å; I1575-Q1577 VanDerWaalsContact C-N 3.29Å; I1575-Q1577 PolarHBondContact O-N 2.97Å; I1575-R1578 PolarHBondContact O-N 2.76Å; I1575-N1581 WeakPolarHBondContact O-CB 3.33Å; I1575-N1581 PolarHBondContact O-ND2 2.67Å; I1575-D1594 WeakPolarHBondContact CB-OD1 3.27Å; I1575-D1594 HydrophobicContact CG1-CB 4.28Å; I1575-D1594 WeakPolarHBondContact CG1-OD1 3.42Å; I1575-D1594 PolarHBondContact N-OD1 2.91Å; I1575-Y1612 HydrophobicContact CG2-CD2 3.67Å; I1575-Y1612 HydrophobicContact CG2-CE2 4.27Å; I1575-Y1612 HydrophobicContact CG2-CG 4.47Å
1576G88.5Confident85.8Confident0 Ų072.4 Ų72.40%035%0.349CS..Hα-helixtrans-67.4-29.6174.800000113.3Q1573 E1574 N1585 Y1612Q1573-G1576 PolarHBondContact O-N 3.34Å; Q1573-G1576 VanDerWaalsContact O-N 3.15Å; E1574-G1576 VanDerWaalsContact C-N 3.3Å; E1574-G1576 PolarHBondContact O-N 3.02Å; G1576-N1585 PolarHBondContact O-ND2 2.93Å; G1576-Y1612 VanDerWaalsContact CA-OH 3.31Å; G1576-Y1612 WeakPolarHBondContact CA-OH 3.43Å
1577Q91.1Very high86.6Confident103 Ų10373.8 Ų73.848%0.48135%0.353SS..Hα-helixtrans-82.4-12.5179.1-69175.9-3.600114Q1573 E1574 I1575 N1579 K1582 L1591Q1573-Q1577 WeakPolarHBondContact O-CG 3.46Å; Q1573-Q1577 PolarHBondContact O-N 3.26Å; E1574-Q1577 CarbonylContact O-C 3.57Å; E1574-Q1577 PolarHBondContact O-N 2.98Å; E1574-Q1577 VanDerWaalsContact O-N 3.09Å; I1575-Q1577 VanDerWaalsContact C-N 3.29Å; I1575-Q1577 PolarHBondContact O-N 2.97Å; Q1577-N1579 PolarHBondContact O-N 3.33Å; Q1577-K1582 WeakPolarHBondContact O-CE 3.46Å; Q1577-L1591 HydrophobicContact CB-CD1 4.49Å; Q1577-L1591 HydrophobicContact CG-CD1 3.41Å; Q1577-L1591 VanDerWaalsContact CG-CD1 3.41Å
1578R89.7Confident87.5Confident124 Ų12471.3 Ų71.347%0.46835%0.354SS..SBendtrans-55139.5177.4-73.3-178.6179.4-172.9-1111.1E1574 I1575 T1580 N1581 K1582E1574-R1578 WeakPolarHBondContact O-CG 3.45Å; E1574-R1578 PolarHBondContact O-N 3.45Å; I1575-R1578 PolarHBondContact O-N 2.76Å; R1578-T1580 PolarHBondContact O-N 3.38Å; R1578-T1580 VanDerWaalsContact O-N 3.09Å; R1578-N1581 HydrophobicContact CB-CB 4.42Å; R1578-N1581 PolarHBondContact O-N 3.11Å; R1578-K1582 PolarHBondContact O-N 2.79Å
1579N84.7Confident88.5Confident133 Ų13374 Ų7471%0.71136%0.363SS*.THydrogen-bonded Turntrans-56.5-30.9179.2-70.8-21.3000112.6Q1577 N1581 K1582Q1577-N1579 PolarHBondContact O-N 3.33Å; N1579-N1581 VanDerWaalsContact C-N 3.33Å; N1579-K1582 PolarHBondContact OD1-NZ 3.05Å
1580T86.4Confident89.4Confident81 Ų8172.4 Ų72.450%0.49736%0.355SS..THydrogen-bonded Turntrans-70.9-24.4175.151.40000113.7R1578 R1583R1578-T1580 PolarHBondContact O-N 3.38Å; R1578-T1580 VanDerWaalsContact O-N 3.09Å; T1580-R1583 PolarHBondContact O-NH1 2.87Å
1581N90.3Very high90.2Very high8 Ų865 Ų654%0.04332%0.318CS..THydrogen-bonded Turntrans-106.8-18.4-174.2-68.1-18.7000113.7I1575 R1578 N1579 R1583 L1584 N1585 Y1612I1575-N1581 WeakPolarHBondContact O-CB 3.33Å; I1575-N1581 PolarHBondContact O-ND2 2.67Å; R1578-N1581 HydrophobicContact CB-CB 4.42Å; R1578-N1581 PolarHBondContact O-N 3.11Å; N1579-N1581 VanDerWaalsContact C-N 3.33Å; N1581-R1583 PolarHBondContact O-N 3.36Å; N1581-R1583 VanDerWaalsContact O-N 3.1Å; N1581-L1584 WeakPolarHBondContact O-CA 3.5Å; N1581-L1584 VanDerWaalsContact O-CB 3.32Å; N1581-L1584 WeakPolarHBondContact O-CB 3.11Å; N1581-L1584 PolarHBondContact O-N 3.07Å; N1581-N1585 PolarHBondContact O-ND2 3.32Å; N1581-Y1612 HydrophobicContact CB-CD1 3.72Å; N1581-Y1612 HydrophobicContact CB-CE1 4Å; N1581-Y1612 HydrophobicContact CB-CG 4.02Å
1582K89.7Confident90.6Very high119 Ų11964.2 Ų64.252%0.51731%0.314SS..G310 helixtrans-49.1-40.3178.6-83.9178.6176.1162.90113.6Q1577 R1578 N1579 L1584 N1585Q1577-K1582 WeakPolarHBondContact O-CE 3.46Å; R1578-K1582 PolarHBondContact O-N 2.79Å; N1579-K1582 PolarHBondContact OD1-NZ 3.05Å; K1582-L1584 PolarHBondContact O-N 3.34Å; K1582-N1585 PolarHBondContact O-N 3.18Å
1583R89.5Confident90.8Very high155 Ų15562.9 Ų62.959%0.58530%0.304SS*.G310 helixtrans-70.6-13.1179.471.7177.6-177.2-74.7-10.1114.8T1580 N1581 N1585T1580-R1583 PolarHBondContact O-NH1 2.87Å; N1581-R1583 PolarHBondContact O-N 3.36Å; N1581-R1583 VanDerWaalsContact O-N 3.1Å; R1583-N1585 VanDerWaalsContact C-N 3.35Å
1584L92.5Very high90.9Very high17 Ų1761.6 Ų61.69%0.08930%0.299CS..G310 helixtrans-91.6-5.3178.8-50.4177000111.2N1581 K1582 Y1612 Q1644 T1650N1581-L1584 WeakPolarHBondContact O-CA 3.5Å; N1581-L1584 VanDerWaalsContact O-CB 3.32Å; N1581-L1584 WeakPolarHBondContact O-CB 3.11Å; N1581-L1584 PolarHBondContact O-N 3.07Å; K1582-L1584 PolarHBondContact O-N 3.34Å; L1584-Y1612 HydrophobicContact CB-CD1 4.11Å; L1584-Y1612 HydrophobicContact CB-CE1 4.21Å; L1584-Y1612 HydrophobicContact CD1-CD1 3.93Å; L1584-Q1644 PolarHBondContact O-NE2 3.09Å; L1584-T1650 HydrophobicContact CB-CG2 4.07Å; L1584-T1650 HydrophobicContact CD2-CG2 3.89Å
1585N94.1Very high91.1Very high16 Ų1658.8 Ų58.89%0.08629%0.286CS..  trans-98.2128.6178.9-59.7-40.5000110.4G1576 N1581 K1582 R1583 F1587 L1591 Y1612 N1614G1576-N1585 PolarHBondContact O-ND2 2.93Å; N1581-N1585 PolarHBondContact O-ND2 3.32Å; K1582-N1585 PolarHBondContact O-N 3.18Å; R1583-N1585 VanDerWaalsContact C-N 3.35Å; N1585-F1587 VanDerWaalsContact C-N 3.32Å; N1585-L1591 HydrophobicContact CB-CD2 4.03Å; N1585-L1591 VanDerWaalsContact CG-CD2 3.47Å; N1585-L1591 WeakPolarHBondContact ND2-CD2 3.11Å; N1585-Y1612 VanDerWaalsContact OD1-CE1 3.26Å; N1585-Y1612 WeakPolarHBondContact OD1-CE1 3.4Å; N1585-Y1612 PolarHBondContact OD1-OH 3.17Å; N1585-N1614 PolarHBondContact OD1-ND2 2.89Å
1586R93.1Very high91.2Very high49 Ų4957.8 Ų57.819%0.18528%0.281CS..SBendtrans-69.6-33.9173.5-177.6172.5-75.5-83.13.2111.7A1645 P1646 L1647R1586-A1645 PolarHBondContact NE-O 2.88Å; R1586-P1646 PolarHBondContact NH2-O 3.24Å; R1586-L1647 HydrophobicContact CB-CD2 4.13Å; R1586-L1647 HydrophobicContact CB-CG 4.46Å; R1586-L1647 HydrophobicContact CG-CD2 4.27Å
1587F91.8Very high91.5Very high76 Ų7658.5 Ų58.533%0.33328%0.283SS..SBendtrans-128.8133.3175.9-58.8-80.6000109.7N1585 D1589 I1590 T1782 A1783N1585-F1587 VanDerWaalsContact C-N 3.32Å; F1587-D1589 VanDerWaalsContact C-N 3.26Å; F1587-D1589 WeakPolarHBondContact CB-OD1 3.46Å; F1587-D1589 PolarHBondContact O-N 2.85Å; F1587-I1590 HydrophobicContact CB-CB 4.07Å; F1587-I1590 HydrophobicContact CB-CG1 4.03Å; F1587-I1590 HydrophobicContact CG-CG1 4.5Å; F1587-T1782 HydrophobicContact CE2-CG2 3.79Å; F1587-T1782 HydrophobicContact CZ-CG2 3.72Å; F1587-A1783 HydrophobicContact CD2-CB 3.66Å; F1587-A1783 HydrophobicContact CE2-CB 3.62Å
1588S87.7Confident91.7Very high108 Ų10853.6 Ų53.676%0.75526%0.26SS*.SBendtrans-71.2-21.3-177.250.80000113.8
1589D86.3Confident91.9Very high112 Ų11252.8 Ų52.860%0.59926%0.26SS*.SBendtrans-101.3-16.2-17762.8-37.1000113.4F1587F1587-D1589 VanDerWaalsContact C-N 3.26Å; F1587-D1589 WeakPolarHBondContact CB-OD1 3.46Å; F1587-D1589 PolarHBondContact O-N 2.85Å
1590I91.6Very high92Very high9 Ų946.6 Ų46.65%0.04623%0.227CC..  trans-101.185.3175-51.3-68.8000109.6F1587 N1614 A1783 V1785F1587-I1590 HydrophobicContact CB-CB 4.07Å; F1587-I1590 HydrophobicContact CB-CG1 4.03Å; F1587-I1590 HydrophobicContact CG-CG1 4.5Å; I1590-N1614 PolarHBondContact O-ND2 2.86Å; I1590-A1783 HydrophobicContact CB-CB 4.48Å; I1590-A1783 HydrophobicContact CG1-CB 4.24Å; I1590-A1783 HydrophobicContact CG2-CB 4.18Å; I1590-V1785 HydrophobicContact CD1-CG2 4.29Å; I1590-V1785 HydrophobicContact CG2-CG1 3.64Å; I1590-V1785 HydrophobicContact CG2-CG2 4.46Å
1591L95.1Very high91.9Very high4 Ų448.3 Ų48.32%0.02123%0.228CC..  trans-112.1143.3-179-53.9178.2000111Q1573 Q1577 N1585 P1822Q1573-L1591 HydrophobicContact CB-CB 3.98Å; Q1573-L1591 HydrophobicContact CB-CD1 4.19Å; Q1573-L1591 HydrophobicContact CG-CB 4.1Å; Q1573-L1591 PolarHBondContact NE2-O 2.85Å; Q1577-L1591 HydrophobicContact CB-CD1 4.49Å; Q1577-L1591 HydrophobicContact CG-CD1 3.41Å; Q1577-L1591 VanDerWaalsContact CG-CD1 3.41Å; N1585-L1591 HydrophobicContact CB-CD2 4.03Å; N1585-L1591 VanDerWaalsContact CG-CD2 3.47Å; N1585-L1591 WeakPolarHBondContact ND2-CD2 3.11Å; L1591-P1822 WeakPolarHBondContact O-CD 3.12Å; L1591-P1822 WeakPolarHBondContact O-CG 3.3Å
1592P95.4Very high91.1Very high0 Ų051.4 Ų51.40%025%0.248CC..  trans-67.7148.6171.932.3-34.3000109.7R1597 Y1612 N1614 S1616P1592-R1597 HydrophobicContact CB-CB 3.84Å; P1592-R1597 HydrophobicContact CG-CB 4.04Å; P1592-Y1612 VanDerWaalsContact CD-OH 3.26Å; P1592-Y1612 WeakPolarHBondContact CD-OH 3.28Å; P1592-Y1612 HydrophobicContact CG-CE2 3.98Å; P1592-N1614 WeakPolarHBondContact CD-OD1 3.45Å; P1592-S1616 WeakPolarHBondContact CB-OG 3.4Å
1593Y95.9Very high90.1Very high4 Ų447.6 Ų47.62%0.01623%0.233CC..  trans-70.4143.2168.7-56.8-54.7000110.7I1566 L1571 S1572 Q1573 Q1595 T1596 R1597 R1818 P1822I1566-Y1593 HydrophobicContact CD1-CE1 4.37Å; I1566-Y1593 WeakPolarHBondContact CD1-OH 3.31Å; I1566-Y1593 HydrophobicContact CG1-CE1 4.22Å; I1566-Y1593 WeakPolarHBondContact CG1-OH 3.23Å; L1571-Y1593 HydrophobicContact CB-CD1 3.78Å; L1571-Y1593 HydrophobicContact CB-CD2 4.3Å; L1571-Y1593 HydrophobicContact CB-CE1 4.08Å; L1571-Y1593 HydrophobicContact CB-CG 3.91Å; L1571-Y1593 HydrophobicContact CD1-CD2 3.85Å; L1571-Y1593 HydrophobicContact CD1-CE2 3.76Å; L1571-Y1593 HydrophobicContact CD1-CG 4.32Å; L1571-Y1593 HydrophobicContact CG-CD2 4.47Å; L1571-Y1593 HydrophobicContact CG-CG 4.5Å; S1572-Y1593 CarbonylContact O-C 3.57Å; S1572-Y1593 WeakPolarHBondContact O-CA 3.47Å; Q1573-Y1593 HydrophobicContact CG-CD1 3.8Å; Q1573-Y1593 HydrophobicContact CG-CE1 4.24Å; Y1593-Q1595 PolarHBondContact O-N 3.32Å; Y1593-T1596 PolarHBondContact O-N 3.35Å; Y1593-R1597 VanDerWaalsContact O-CB 3.31Å; Y1593-R1597 WeakPolarHBondContact O-CB 3.39Å; Y1593-R1597 PolarHBondContact O-N 3.12Å; Y1593-R1818 VanDerWaalsContact CE2-O 3.29Å; Y1593-R1818 WeakPolarHBondContact CE2-O 3.28Å; Y1593-R1818 PolarHBondContact OH-O 2.81Å; Y1593-P1822 HydrophobicContact CD1-CG 4.36Å; Y1593-P1822 HydrophobicContact CE1-CB 4.22Å; Y1593-P1822 HydrophobicContact CE1-CG 3.74Å; Y1593-P1822 HydrophobicContact CE2-CB 4.49Å; Y1593-P1822 HydrophobicContact CE2-CG 4.19Å; Y1593-P1822 WeakPolarHBondContact OH-CA 3.2Å; Y1593-P1822 WeakPolarHBondContact OH-CB 3.39Å
1594D94.1Very high88.9Confident22 Ų2244.6 Ų44.612%0.11823%0.226CC..THydrogen-bonded Turntrans-63.3-29.2-177.8-61.2-38.6000112.3S1572 E1574 I1575 T1596S1572-D1594 VanDerWaalsContact C-OD2 3.3Å; S1572-D1594 WeakPolarHBondContact CB-OD2 3.47Å; S1572-D1594 PolarHBondContact O-N 2.77Å; S1572-D1594 PolarHBondContact OG-OD2 3.27Å; E1574-D1594 PolarHBondContact N-OD2 2.89Å; I1575-D1594 WeakPolarHBondContact CB-OD1 3.27Å; I1575-D1594 HydrophobicContact CG1-CB 4.28Å; I1575-D1594 WeakPolarHBondContact CG1-OD1 3.42Å; I1575-D1594 PolarHBondContact N-OD1 2.91Å; D1594-T1596 VanDerWaalsContact C-N 3.32Å
1595Q93.2Very high86.9Confident72 Ų7252 Ų5234%0.33626%0.258SS..THydrogen-bonded Turntrans-72.9-24.5-178.6-62.97218.200112.4M1570 L1571 S1572 Y1593M1570-Q1595 PolarHBondContact O-NE2 2.87Å; L1571-Q1595 HydrophobicContact CD2-CB 3.99Å; L1571-Q1595 HydrophobicContact CD2-CG 3.94Å; S1572-Q1595 PolarHBondContact OG-NE2 3.33Å; Y1593-Q1595 PolarHBondContact O-N 3.32Å
1596T94.2Very high84.6Confident1 Ų156.8 Ų56.81%0.00629%0.287CS..THydrogen-bonded Turntrans-129.3-1.4-172.461.30000113.1Y1593 D1594 S1616 F1617 Y1619 C1820Y1593-T1596 PolarHBondContact O-N 3.35Å; D1594-T1596 VanDerWaalsContact C-N 3.32Å; T1596-S1616 CarbonylContact O-C 3.27Å; T1596-S1616 WeakPolarHBondContact O-CA 3.37Å; T1596-F1617 WeakPolarHBondContact O-CD2 3.31Å; T1596-F1617 PolarHBondContact O-N 3.45Å; T1596-Y1619 HydrophobicContact CG2-CE2 3.85Å; T1596-C1820 WeakPolarHBondContact CB-O 3.33Å; T1596-C1820 PolarHBondContact OG1-O 2.88Å
1597R94.5Very high82.6Confident15 Ų1560.7 Ų60.76%0.05731%0.306CS..EExtended strand (participates in β ladder)trans-61146.1178.171.4177.9-178.990.3-1.4111.2P1592 Y1593 K1599 D1611 A1615P1592-R1597 HydrophobicContact CB-CB 3.84Å; P1592-R1597 HydrophobicContact CG-CB 4.04Å; Y1593-R1597 VanDerWaalsContact O-CB 3.31Å; Y1593-R1597 WeakPolarHBondContact O-CB 3.39Å; Y1593-R1597 PolarHBondContact O-N 3.12Å; R1597-K1599 HydrophobicContact CG-CG 4.33Å; R1597-K1599 PolarHBondContact O-N 3.26Å; R1597-D1611 IonicContact CZ-OD1 3.93Å; R1597-D1611 IonicContact CZ-OD2 3.35Å; R1597-D1611 VanDerWaalsContact NH1-CG 3.3Å; R1597-D1611 PolarHBondContact NH1-O 2.84Å; R1597-D1611 IonicContact NH1-OD1 2.64Å; R1597-D1611 PolarHBondContact NH1-OD1 2.83Å; R1597-D1611 IonicContact NH1-OD2 2.83Å; R1597-D1611 PolarHBondContact NH1-OD2 3.46Å; R1597-D1611 VanDerWaalsContact NH2-CG 3.29Å; R1597-D1611 IonicContact NH2-OD1 2.65Å; R1597-D1611 PolarHBondContact NH2-OD1 2.85Å; R1597-D1611 IonicContact NH2-OD2 3.16Å; R1597-D1611 PolarHBondContact NH2-OD2 3.09Å; R1597-A1615 CarbonylContact C-O 3.52Å; R1597-A1615 VanDerWaalsContact CA-O 3.28Å; R1597-A1615 WeakPolarHBondContact CA-O 3.47Å
1598V96Very high80.7Confident0 Ų062.2 Ų62.20%031%0.314CS..EExtended strand (participates in β ladder)trans-71.9130.2168.9-173.20000108.5V1613 A1615 F1617 I1641 M1657 Q1661V1598-V1613 HydrophobicContact CB-CG1 4.09Å; V1598-V1613 HydrophobicContact CG1-CG1 4.35Å; V1598-A1615 HydrophobicContact CB-CB 4.16Å; V1598-A1615 HydrophobicContact CG2-CB 3.86Å; V1598-A1615 PolarHBondContact N-O 3.43Å; V1598-F1617 HydrophobicContact CB-CE1 4.49Å; V1598-F1617 HydrophobicContact CB-CE2 4.4Å; V1598-F1617 HydrophobicContact CB-CZ 4.2Å; V1598-F1617 HydrophobicContact CG1-CE1 4.22Å; V1598-F1617 HydrophobicContact CG1-CZ 3.9Å; V1598-F1617 HydrophobicContact CG2-CD1 3.94Å; V1598-F1617 HydrophobicContact CG2-CD2 4.32Å; V1598-F1617 HydrophobicContact CG2-CE1 3.81Å; V1598-F1617 HydrophobicContact CG2-CE2 4.2Å; V1598-F1617 HydrophobicContact CG2-CG 4.21Å; V1598-F1617 HydrophobicContact CG2-CZ 3.95Å; V1598-I1641 HydrophobicContact CG2-CD1 4.34Å; V1598-I1641 HydrophobicContact CG2-CG1 4.24Å; V1598-I1641 HydrophobicContact CG2-CG2 3.81Å; V1598-M1657 HydrophobicContact CB-SD 4.16Å; V1598-M1657 HydrophobicContact CG1-CG 3.76Å; V1598-M1657 HydrophobicContact CG1-SD 4.01Å; V1598-M1657 HydrophobicContact CG2-SD 4.27Å; V1598-Q1661 HydrophobicContact CG1-CG 3.76Å
1599K93.2Very high79.3Confident108 Ų10862.7 Ų62.747%0.4731%0.308SS..EExtended strand (participates in β ladder)trans-107.4126.7176.3-51.4-168.1179.4174.30108.8R1597 D1611R1597-K1599 HydrophobicContact CG-CG 4.33Å; R1597-K1599 PolarHBondContact O-N 3.26Å; K1599-D1611 WeakPolarHBondContact CA-O 3.35Å
1600L88.2Confident78.8Confident3 Ų361.6 Ų61.62%0.01630%0.299CS..PPolyproline II helixtrans-70.2137.1175.4-58.3175000109.7D1611 V1613 D1653 R1656 M1657L1600-D1611 PolarHBondContact N-O 2.86Å; L1600-V1613 HydrophobicContact CD1-CB 4.37Å; L1600-V1613 HydrophobicContact CD2-CB 4.28Å; L1600-V1613 HydrophobicContact CD2-CG1 3.92Å; L1600-V1613 HydrophobicContact CG-CB 4.31Å; L1600-V1613 HydrophobicContact CG-CG1 4.14Å; L1600-D1653 HydrophobicContact CD1-CB 3.9Å; L1600-R1656 HydrophobicContact CD2-CG 4.31Å; L1600-M1657 HydrophobicContact CD2-CB 3.83Å
1601K82.6Confident78.7Confident116 Ų11663 Ų6350%0.50431%0.307SS..PPolyproline II helixtrans-66.1127.7-178.9-70-179-172.3165.40109.8L1603 R1656 D1660K1601-L1603 PolarHBondContact O-N 3.18Å; K1601-R1656 PolarHBondContact O-NH2 2.85Å; K1601-D1660 HydrophobicContact CD-CB 4.17Å; K1601-D1660 WeakPolarHBondContact CD-OD1 3.33Å; K1601-D1660 WeakPolarHBondContact CE-O 3.32Å; K1601-D1660 HydrophobicContact CG-CB 4.1Å; K1601-D1660 PolarHBondContact N-OD2 2.78Å; K1601-D1660 PolarHBondContact NZ-O 3.29Å
1602P73.6Confident78.5Confident73 Ų7363 Ų6347%0.47431%0.306SS..PPolyproline II helixtrans-63128.1-17522.4-31.2000112
1603L69.7Low78.5Confident39 Ų3963.4 Ų63.420%0.20431%0.309CS..SBendtrans-81.6-22.3-177.6-66.6167.7000113.5K1601 S1696 D1697 L1699K1601-L1603 PolarHBondContact O-N 3.18Å; L1603-S1696 WeakPolarHBondContact CD1-O 3.1Å; L1603-D1697 HydrophobicContact CD1-CB 4.03Å; L1603-L1699 HydrophobicContact CD1-CB 3.71Å; L1603-L1699 HydrophobicContact CD2-CB 3.94Å; L1603-L1699 HydrophobicContact CD2-CD1 4.41Å; L1603-L1699 HydrophobicContact CD2-CD2 4.12Å; L1603-L1699 HydrophobicContact CD2-CG 4.39Å; L1603-L1699 HydrophobicContact CG-CB 4.5Å
1604Q63.4Low78.5Confident92 Ų9263.3 Ų63.343%0.4331%0.309SS..SBendtrans-142.4142.3176.9-68.7-173-1.300110.5T1606 Y1698Q1604-T1606 PolarHBondContact O-N 2.8Å; Q1604-Y1698 HydrophobicContact CG-CD2 4.44Å
1605K50.6Low78.6Confident174 Ų17462.3 Ų62.376%0.75730%0.303SS*.THydrogen-bonded Turntrans-61.4-10.8-176.5-80.9-179.3176.4174.20115.2
1606T45.7Very low78.8Confident115 Ų11558.9 Ų58.971%0.70629%0.287SS*.THydrogen-bonded Turntrans-112.3-5.1-166.549.20000115.7Q1604Q1604-T1606 PolarHBondContact O-N 2.8Å
1607K50.9Low79Confident132 Ų13260 Ų6057%0.57429%0.292SS*.  trans-132.6100.2175.6-78.9-173.2176-179.10110.8D1609K1607-D1609 VanDerWaalsContact C-N 3.29Å
1608Q53.7Low79.1Confident108 Ų10859.3 Ų59.351%0.50529%0.289SS..  trans-83.9-2.5-178.4-140169.7-300113
1609D58.5Low79.1Confident118 Ų11860.6 Ų60.663%0.63130%0.295SS*.SBendtrans-86.2-9.4-167.6-76.6-31.1000116.1K1607K1607-D1609 VanDerWaalsContact C-N 3.29Å
1610H75.6Confident79.1Confident88 Ų8857.9 Ų57.941%0.40728%0.284SS..  trans-112.353.2-176.5-76-94.3000113D1697H1610-D1697 WeakPolarHBondContact CB-OD2 3.45Å; H1610-D1697 IonicContact CG-OD1 3.69Å; H1610-D1697 IonicContact CG-OD2 2.93Å; H1610-D1697 IonicContact ND1-OD1 2.64Å
1611D87.9Confident79.3Confident39 Ų3958 Ų5821%0.20928%0.284CS..  trans-102.83.917881.5-15.1000113.5R1597 K1599 L1600R1597-D1611 IonicContact CZ-OD1 3.93Å; R1597-D1611 IonicContact CZ-OD2 3.35Å; R1597-D1611 VanDerWaalsContact NH1-CG 3.3Å; R1597-D1611 PolarHBondContact NH1-O 2.84Å; R1597-D1611 IonicContact NH1-OD1 2.64Å; R1597-D1611 PolarHBondContact NH1-OD1 2.83Å; R1597-D1611 IonicContact NH1-OD2 2.83Å; R1597-D1611 PolarHBondContact NH1-OD2 3.46Å; R1597-D1611 VanDerWaalsContact NH2-CG 3.29Å; R1597-D1611 IonicContact NH2-OD1 2.65Å; R1597-D1611 PolarHBondContact NH2-OD1 2.85Å; R1597-D1611 IonicContact NH2-OD2 3.16Å; R1597-D1611 PolarHBondContact NH2-OD2 3.09Å; K1599-D1611 WeakPolarHBondContact CA-O 3.35Å; L1600-D1611 PolarHBondContact N-O 2.86Å
1612Y92.4Very high79.6Confident4 Ų456.1 Ų56.12%0.01628%0.279CS..EExtended strand (participates in β ladder)trans-94.2127.7-168.2-174.3-99.3000113.3I1575 G1576 N1581 L1584 N1585 P1592 N1614I1575-Y1612 HydrophobicContact CG2-CD2 3.67Å; I1575-Y1612 HydrophobicContact CG2-CE2 4.27Å; I1575-Y1612 HydrophobicContact CG2-CG 4.47Å; G1576-Y1612 VanDerWaalsContact CA-OH 3.31Å; G1576-Y1612 WeakPolarHBondContact CA-OH 3.43Å; N1581-Y1612 HydrophobicContact CB-CD1 3.72Å; N1581-Y1612 HydrophobicContact CB-CE1 4Å; N1581-Y1612 HydrophobicContact CB-CG 4.02Å; L1584-Y1612 HydrophobicContact CB-CD1 4.11Å; L1584-Y1612 HydrophobicContact CB-CE1 4.21Å; L1584-Y1612 HydrophobicContact CD1-CD1 3.93Å; N1585-Y1612 VanDerWaalsContact OD1-CE1 3.26Å; N1585-Y1612 WeakPolarHBondContact OD1-CE1 3.4Å; N1585-Y1612 PolarHBondContact OD1-OH 3.17Å; P1592-Y1612 VanDerWaalsContact CD-OH 3.26Å; P1592-Y1612 WeakPolarHBondContact CD-OH 3.28Å; P1592-Y1612 HydrophobicContact CG-CE2 3.98Å; Y1612-N1614 HydrophobicContact CE1-CB 4.38Å
1613V94.2Very high80.1Confident9 Ų954.5 Ų54.56%0.05527%0.268CS..EExtended strand (participates in β ladder)trans-136.9142.9162.560.90000107.7V1598 L1600 A1615 M1657V1598-V1613 HydrophobicContact CB-CG1 4.09Å; V1598-V1613 HydrophobicContact CG1-CG1 4.35Å; L1600-V1613 HydrophobicContact CD1-CB 4.37Å; L1600-V1613 HydrophobicContact CD2-CB 4.28Å; L1600-V1613 HydrophobicContact CD2-CG1 3.92Å; L1600-V1613 HydrophobicContact CG-CB 4.31Å; L1600-V1613 HydrophobicContact CG-CG1 4.14Å; V1613-A1615 HydrophobicContact CG1-CB 4.36Å; V1613-A1615 PolarHBondContact O-N 2.88Å; V1613-M1657 HydrophobicContact CG1-CG 4.44Å; V1613-M1657 HydrophobicContact CG1-SD 3.9Å; V1613-M1657 HydrophobicContact CG2-SD 4.31Å
1614N95.9Very high80.6Confident2 Ų253.1 Ų53.11%0.01126%0.261CS..EExtended strand (participates in β ladder)trans-78.576179.6-170.1-36.1000111.1N1585 I1590 P1592 Y1612 Q1644 R1821N1585-N1614 PolarHBondContact OD1-ND2 2.89Å; I1590-N1614 PolarHBondContact O-ND2 2.86Å; P1592-N1614 WeakPolarHBondContact CD-OD1 3.45Å; Y1612-N1614 HydrophobicContact CE1-CB 4.38Å; N1614-Q1644 HydrophobicContact CB-CG 3.96Å; N1614-Q1644 PolarHBondContact ND2-OE1 2.97Å; N1614-Q1644 PolarHBondContact O-N 2.8Å; N1614-R1821 PolarHBondContact OD1-NH1 2.87Å; N1614-R1821 PolarHBondContact OD1-NH2 2.99Å
1615A97.1Very high81.4Confident0 Ų054.1 Ų54.10%027%0.274CS..EExtended strand (participates in β ladder)trans-147153.4176.700000110.4R1597 V1598 V1613 I1641 A1642 M1657R1597-A1615 CarbonylContact C-O 3.52Å; R1597-A1615 VanDerWaalsContact CA-O 3.28Å; R1597-A1615 WeakPolarHBondContact CA-O 3.47Å; V1598-A1615 HydrophobicContact CB-CB 4.16Å; V1598-A1615 HydrophobicContact CG2-CB 3.86Å; V1598-A1615 PolarHBondContact N-O 3.43Å; V1613-A1615 HydrophobicContact CG1-CB 4.36Å; V1613-A1615 PolarHBondContact O-N 2.88Å; A1615-I1641 HydrophobicContact CB-CG2 3.95Å; A1615-A1642 CarbonylContact C-O 3.53Å; A1615-A1642 VanDerWaalsContact CA-O 3.29Å; A1615-A1642 WeakPolarHBondContact CA-O 2.93Å; A1615-M1657 HydrophobicContact CB-CE 4.31Å; A1615-M1657 HydrophobicContact CB-SD 3.49Å; A1615-M1657 WeakPolarHBondContact CB-SD 3.42Å
1616S98Very high82.9Confident0 Ų047.2 Ų47.20%025%0.248CC..EExtended strand (participates in β ladder)trans-128.1139.8178.6-56.70000110.6P1592 T1596 I1618 I1641 A1642 R1821P1592-S1616 WeakPolarHBondContact CB-OG 3.4Å; T1596-S1616 CarbonylContact O-C 3.27Å; T1596-S1616 WeakPolarHBondContact O-CA 3.37Å; S1616-I1618 PolarHBondContact O-N 2.84Å; S1616-I1641 WeakPolarHBondContact O-CA 3.48Å; S1616-A1642 PolarHBondContact N-O 2.85Å; S1616-A1642 PolarHBondContact O-N 3.39Å; S1616-R1821 PolarHBondContact OG-NH1 3.39Å; S1616-R1821 VanDerWaalsContact OG-NH1 3.15Å
1617F97.7Very high84.3Confident25 Ų2543.9 Ų43.911%0.1123%0.227CC..EExtended strand (participates in β ladder)trans-66.5129.7163.9-63.7-60.8000109.4T1596 V1598 Y1619 I1638 I1641 Q1661 C1820T1596-F1617 WeakPolarHBondContact O-CD2 3.31Å; T1596-F1617 PolarHBondContact O-N 3.45Å; V1598-F1617 HydrophobicContact CB-CE1 4.49Å; V1598-F1617 HydrophobicContact CB-CE2 4.4Å; V1598-F1617 HydrophobicContact CB-CZ 4.2Å; V1598-F1617 HydrophobicContact CG1-CE1 4.22Å; V1598-F1617 HydrophobicContact CG1-CZ 3.9Å; V1598-F1617 HydrophobicContact CG2-CD1 3.94Å; V1598-F1617 HydrophobicContact CG2-CD2 4.32Å; V1598-F1617 HydrophobicContact CG2-CE1 3.81Å; V1598-F1617 HydrophobicContact CG2-CE2 4.2Å; V1598-F1617 HydrophobicContact CG2-CG 4.21Å; V1598-F1617 HydrophobicContact CG2-CZ 3.95Å; F1617-Y1619 HydrophobicContact CB-CE1 4.05Å; F1617-Y1619 HydrophobicContact CB-CE2 4.39Å; F1617-I1638 HydrophobicContact CB-CG1 4.43Å; F1617-I1638 HydrophobicContact CB-CG2 4.33Å; F1617-I1638 HydrophobicContact CD1-CB 4.39Å; F1617-I1638 HydrophobicContact CD1-CD1 3.61Å; F1617-I1638 HydrophobicContact CD1-CG1 3.93Å; F1617-I1638 HydrophobicContact CD1-CG2 3.54Å; F1617-I1638 HydrophobicContact CE1-CD1 3.58Å; F1617-I1638 HydrophobicContact CE1-CG1 4.4Å; F1617-I1638 HydrophobicContact CE1-CG2 4.26Å; F1617-I1638 HydrophobicContact CG-CD1 4.12Å; F1617-I1638 HydrophobicContact CG-CG1 4.22Å; F1617-I1638 HydrophobicContact CG-CG2 4.31Å; F1617-I1638 HydrophobicContact CZ-CD1 4.09Å; F1617-I1641 HydrophobicContact CD1-CD1 4.16Å; F1617-I1641 HydrophobicContact CD1-CG1 3.77Å; F1617-I1641 HydrophobicContact CE1-CD1 3.93Å; F1617-I1641 HydrophobicContact CE1-CG1 4.07Å; F1617-Q1661 HydrophobicContact CE1-CG 4.25Å; F1617-Q1661 VanDerWaalsContact CE1-OE1 3.31Å; F1617-Q1661 VanDerWaalsContact CZ-OE1 3.3Å; F1617-C1820 WeakPolarHBondContact O-CB 3.48Å
1618I96.6Very high85.2Confident0 Ų047 Ų470%024%0.237CC..EExtended strand (participates in β ladder)trans-105110.8164.5-46.2-58.2000106.2S1616 A1639 Y1640 A1642 I1792 M1817 C1820 R1821 M1824S1616-I1618 PolarHBondContact O-N 2.84Å; I1618-A1639 PolarHBondContact O-N 3.24Å; I1618-Y1640 HydrophobicContact CB-CD2 4.27Å; I1618-Y1640 HydrophobicContact CG2-CD2 4.26Å; I1618-Y1640 PolarHBondContact N-O 2.99Å; I1618-Y1640 PolarHBondContact O-N 2.82Å; I1618-A1642 HydrophobicContact CD1-CB 3.89Å; I1618-A1642 HydrophobicContact CG1-CB 3.81Å; I1618-I1792 HydrophobicContact CG1-CD1 4.1Å; I1618-I1792 HydrophobicContact CG2-CG2 4.43Å; I1618-M1817 HydrophobicContact CG2-CG 4.19Å; I1618-C1820 HydrophobicContact CD1-CB 3.51Å; I1618-R1821 HydrophobicContact CD1-CB 4.02Å; I1618-M1824 HydrophobicContact CD1-CE 4.12Å; I1618-M1824 HydrophobicContact CG1-CE 4.43Å
1619Y95Very high85.9Confident28 Ų2844.4 Ų44.411%0.1123%0.228CC..EExtended strand (participates in β ladder)trans-75.6163.5-177.8-55.7-76.8000111.4T1596 F1617 I1621 L1633 N1634 R1635 K1637 I1638T1596-Y1619 HydrophobicContact CG2-CE2 3.85Å; F1617-Y1619 HydrophobicContact CB-CE1 4.05Å; F1617-Y1619 HydrophobicContact CB-CE2 4.39Å; Y1619-I1621 PolarHBondContact O-N 2.98Å; Y1619-L1633 HydrophobicContact CD2-CD2 4.08Å; Y1619-L1633 HydrophobicContact CD2-CG 4.37Å; Y1619-N1634 WeakPolarHBondContact CB-O 3.35Å; Y1619-R1635 HydrophobicContact CD1-CB 4.5Å; Y1619-R1635 VanDerWaalsContact CD1-O 3.25Å; Y1619-R1635 WeakPolarHBondContact CD1-O 3.16Å; Y1619-R1635 HydrophobicContact CD2-CG 4.15Å; Y1619-R1635 VanDerWaalsContact CE1-O 3.23Å; Y1619-R1635 WeakPolarHBondContact CE1-O 3.43Å; Y1619-R1635 HydrophobicContact CE2-CG 4.31Å; Y1619-R1635 HydrophobicContact CG-CB 4.46Å; Y1619-R1635 HydrophobicContact CG-CG 4.49Å; Y1619-K1637 CarbonylContact C-O 3.59Å; Y1619-K1637 VanDerWaalsContact CA-O 3.31Å; Y1619-K1637 WeakPolarHBondContact CA-O 3.21Å; Y1619-I1638 HydrophobicContact CD1-CG1 4.07Å; Y1619-I1638 HydrophobicContact CE1-CG1 4.02Å
1620E93.6Very high87.1Confident51 Ų5142.4 Ų42.424%0.23822%0.215CC..EExtended strand (participates in β ladder)trans-55.7132.9172.4178.3-179-114.300109.8N1634 K1637 A1639E1620-N1634 HydrophobicContact CB-CB 4.22Å; E1620-N1634 PolarHBondContact O-N 2.85Å; E1620-N1634 PolarHBondContact OE2-ND2 2.82Å; E1620-K1637 HydrophobicContact CB-CB 4.05Å; E1620-K1637 HydrophobicContact CB-CG 4.24Å; E1620-K1637 PolarHBondContact N-O 3.36Å; E1620-K1637 WeakPolarHBondContact OE1-CD 3.47Å; E1620-K1637 VanDerWaalsContact OE1-CE 3.31Å; E1620-K1637 WeakPolarHBondContact OE1-CE 2.96Å; E1620-K1637 IonicContact OE1-NZ 3.44Å; E1620-K1637 PolarHBondContact OE1-NZ 2.69Å; E1620-K1637 IonicContact OE2-NZ 3.06Å; E1620-A1639 HydrophobicContact CB-CB 4.48Å
1621I93.5Very high87.6Confident4 Ų438.2 Ų38.22%0.02120%0.196CC..EExtended strand (participates in β ladder)trans-106.6117.9173.6-61.1170.2000106.1Y1619 P1631 V1632 L1633 L1796 Y1800 I1813 Q1816 M1817Y1619-I1621 PolarHBondContact O-N 2.98Å; I1621-P1631 HydrophobicContact CG2-CB 3.55Å; I1621-V1632 CarbonylContact C-O 3.5Å; I1621-V1632 WeakPolarHBondContact CA-O 3.3Å; I1621-L1633 HydrophobicContact CG1-CD1 3.86Å; I1621-L1796 HydrophobicContact CB-CD1 4.48Å; I1621-L1796 HydrophobicContact CD1-CD1 3.9Å; I1621-Y1800 VanDerWaalsContact C-OH 3.28Å; I1621-Y1800 WeakPolarHBondContact CG2-OH 3.48Å; I1621-Y1800 PolarHBondContact O-OH 3.39Å; I1621-I1813 HydrophobicContact CD1-CG2 4.07Å; I1621-Q1816 HydrophobicContact CD1-CB 3.84Å; I1621-Q1816 HydrophobicContact CG1-CB 4.08Å; I1621-Q1816 HydrophobicContact CG2-CB 4.36Å; I1621-Q1816 HydrophobicContact CG2-CG 4.36Å; I1621-M1817 HydrophobicContact CD1-CG 3.56Å
1622I87.4Confident87.5Confident78 Ų7840.6 Ų40.640%0.421%0.211SC..EExtended strand (participates in β ladder)trans-79.1131.3178-58.9178.7000108P1631 V1632 N1634I1622-P1631 VanDerWaalsContact O-CA 3.23Å; I1622-P1631 WeakPolarHBondContact O-CA 3.31Å; I1622-P1631 WeakPolarHBondContact O-CB 3.48Å; I1622-V1632 PolarHBondContact N-O 3.07Å; I1622-V1632 PolarHBondContact O-N 2.9Å; I1622-V1632 VanDerWaalsContact O-N 3.08Å; I1622-N1634 HydrophobicContact CD1-CB 4Å; I1622-N1634 HydrophobicContact CG1-CB 4.13Å
1623P84.1Confident87.3Confident39 Ų3941.5 Ų41.525%0.25322%0.216SC..PPolyproline II helixtrans-67.5166.3-178.426.3-33.2000113.2Y1800 C1805P1623-Y1800 HydrophobicContact CB-CD1 3.84Å; P1623-Y1800 HydrophobicContact CB-CD2 3.97Å; P1623-Y1800 HydrophobicContact CB-CE1 3.78Å; P1623-Y1800 HydrophobicContact CB-CE2 3.88Å; P1623-Y1800 HydrophobicContact CB-CG 3.95Å; P1623-Y1800 HydrophobicContact CG-CD1 4.04Å; P1623-Y1800 HydrophobicContact CG-CE1 3.97Å; P1623-C1805 VanDerWaalsContact CB-SG 3.51Å; P1623-C1805 WeakPolarHBondContact CG-SG 3.41Å
1624C81.4Confident87.1Confident9 Ų942.9 Ų42.96%0.06122%0.223CC..PPolyproline II helixtrans-65.4137175.4-52.60000110.9P1530 T1629 P1631P1530-C1624 HydrophobicContact CB-CB 4.07Å; P1530-C1624 HydrophobicContact CG-CB 4.19Å; C1624-T1629 WeakPolarHBondContact CA-O 3.39Å; C1624-T1629 WeakPolarHBondContact CB-O 3.36Å; C1624-T1629 PolarHBondContact SG-O 3.01Å; C1624-P1631 WeakPolarHBondContact SG-CD 3.47Å; C1624-P1631 VanDerWaalsContact SG-CG 3.59Å
1625T80Confident86.5Confident113 Ų11348 Ų4869%0.69324%0.243SC*.SBendtrans-95.9-16.5175.453.20000113.2T1629 Y1807T1625-T1629 PolarHBondContact N-OG1 3.49Å; T1625-T1629 PolarHBondContact OG1-OG1 2.97Å; T1625-Y1807 WeakPolarHBondContact O-CE2 3.26Å
1626S82.8Confident85.9Confident30 Ų3052.9 Ų52.921%0.2127%0.269CS..SBendtrans-153.4173-178.375.50000110.9Y1628 T1629 Y1807S1626-Y1628 PolarHBondContact O-N 2.81Å; S1626-Y1628 PolarHBondContact OG-N 2.75Å; S1626-Y1628 VanDerWaalsContact OG-N 3.13Å; S1626-T1629 PolarHBondContact N-OG1 3.21Å; S1626-T1629 PolarHBondContact O-N 2.05Å; S1626-T1629 PolarHBondContact OG-N 3.11Å; S1626-T1629 PolarHBondContact OG-OG1 2.94Å; S1626-Y1807 VanDerWaalsContact CA-CD2 3.46Å
1627V75.2Confident85.3Confident44 Ų4457 Ų5727%0.26729%0.287SS..THydrogen-bonded Turntrans-64.9-12.6171.1-51.10000113.5P1530 Y1807P1530-V1627 WeakPolarHBondContact CD-O 3.44Å; V1627-Y1807 HydrophobicContact CB-CE1 4.33Å; V1627-Y1807 HydrophobicContact CG1-CD1 3.68Å; V1627-Y1807 HydrophobicContact CG1-CE1 3.18Å
1628Y68Low85Confident198 Ų19858.7 Ų58.778%0.77630%0.296SS*.THydrogen-bonded Turntrans-107.5-5.1-176-51.9-68.4000113S1626S1626-Y1628 PolarHBondContact O-N 2.81Å; S1626-Y1628 PolarHBondContact OG-N 2.75Å; S1626-Y1628 VanDerWaalsContact OG-N 3.13Å
1629T70Confident84.8Confident53 Ų5360 Ų6033%0.32531%0.306SS..  trans-115.7112.8-176.147.40000110.6C1624 T1625 S1626C1624-T1629 WeakPolarHBondContact CA-O 3.39Å; C1624-T1629 WeakPolarHBondContact CB-O 3.36Å; C1624-T1629 PolarHBondContact SG-O 3.01Å; T1625-T1629 PolarHBondContact N-OG1 3.49Å; T1625-T1629 PolarHBondContact OG1-OG1 2.97Å; S1626-T1629 PolarHBondContact N-OG1 3.21Å; S1626-T1629 PolarHBondContact O-N 2.05Å; S1626-T1629 PolarHBondContact OG-N 3.11Å; S1626-T1629 PolarHBondContact OG-OG1 2.94Å
1630H83.3Confident84.9Confident76 Ų7659 Ų5935%0.35230%0.303SS..  trans-74.8161.8177-68.1-74.4000112.3D1809H1630-D1809 IonicContact CE1-OD2 3.44Å; H1630-D1809 IonicContact CG-OD2 3.32Å; H1630-D1809 IonicContact ND1-OD2 2.68Å; H1630-D1809 PolarHBondContact ND1-OD2 3.33Å
1631P86.2Confident85.1Confident1 Ų156.6 Ų56.61%0.00629%0.292CS..  trans-61.6142177-18.330.5000112.4I1621 I1622 C1624 D1809 I1813 Q1816I1621-P1631 HydrophobicContact CG2-CB 3.55Å; I1622-P1631 VanDerWaalsContact O-CA 3.23Å; I1622-P1631 WeakPolarHBondContact O-CA 3.31Å; I1622-P1631 WeakPolarHBondContact O-CB 3.48Å; C1624-P1631 WeakPolarHBondContact SG-CD 3.47Å; C1624-P1631 VanDerWaalsContact SG-CG 3.59Å; P1631-D1809 VanDerWaalsContact CD-OD2 3.29Å; P1631-D1809 WeakPolarHBondContact CD-OD2 3.34Å; P1631-D1809 HydrophobicContact CG-CB 4.02Å; P1631-I1813 HydrophobicContact CB-CG1 4.37Å; P1631-I1813 HydrophobicContact CG-CG1 3.99Å; P1631-Q1816 WeakPolarHBondContact O-CG 3.49Å; P1631-Q1816 PolarHBondContact O-NE2 2.84Å
1632V85.9Confident85.4Confident88 Ų8856.4 Ų56.453%0.53329%0.291SS..EExtended strand (participates in β ladder)trans-118.9140.1-174.7-176.40000111.2I1621 I1622I1621-V1632 CarbonylContact C-O 3.5Å; I1621-V1632 WeakPolarHBondContact CA-O 3.3Å; I1622-V1632 PolarHBondContact N-O 3.07Å; I1622-V1632 PolarHBondContact O-N 2.9Å; I1622-V1632 VanDerWaalsContact O-N 3.08Å
1633L88.2Confident85.9Confident23 Ų2352.8 Ų52.812%0.1227%0.272CS..EExtended strand (participates in β ladder)trans-83.3119179.5-167.476.1000111.8Y1619 I1621 R1635 Q1816Y1619-L1633 HydrophobicContact CD2-CD2 4.08Å; Y1619-L1633 HydrophobicContact CD2-CG 4.37Å; I1621-L1633 HydrophobicContact CG1-CD1 3.86Å; L1633-R1635 HydrophobicContact CD2-CG 4.07Å; L1633-R1635 HydrophobicContact CG-CG 4.44Å; L1633-R1635 PolarHBondContact O-N 3.41Å; L1633-Q1816 HydrophobicContact CB-CB 4.48Å; L1633-Q1816 HydrophobicContact CD1-CB 4.28Å
1634N88.7Confident86.4Confident38 Ų3851.2 Ų51.220%0.20326%0.261CS..EExtended strand (participates in β ladder)trans-93.690173.9178.99.3000111.4Y1619 E1620 I1622 N1636 K1637Y1619-N1634 WeakPolarHBondContact CB-O 3.35Å; E1620-N1634 HydrophobicContact CB-CB 4.22Å; E1620-N1634 PolarHBondContact O-N 2.85Å; E1620-N1634 PolarHBondContact OE2-ND2 2.82Å; I1622-N1634 HydrophobicContact CD1-CB 4Å; I1622-N1634 HydrophobicContact CG1-CB 4.13Å; N1634-N1636 PolarHBondContact O-N 3.41Å; N1634-N1636 PolarHBondContact OD1-N 3.24Å; N1634-K1637 PolarHBondContact O-N 3.14Å
1635R84.4Confident87.1Confident111 Ų11150.8 Ų50.842%0.41926%0.258SS..EExtended strand (participates in β ladder)trans-62.6-10.9-176.5-65.2-172.1-179-141.13.1115.3D1569 Y1619 L1633D1569-R1635 IonicContact OD2-NH2 3.94Å; Y1619-R1635 HydrophobicContact CD1-CB 4.5Å; Y1619-R1635 VanDerWaalsContact CD1-O 3.25Å; Y1619-R1635 WeakPolarHBondContact CD1-O 3.16Å; Y1619-R1635 HydrophobicContact CD2-CG 4.15Å; Y1619-R1635 VanDerWaalsContact CE1-O 3.23Å; Y1619-R1635 WeakPolarHBondContact CE1-O 3.43Å; Y1619-R1635 HydrophobicContact CE2-CG 4.31Å; Y1619-R1635 HydrophobicContact CG-CB 4.46Å; Y1619-R1635 HydrophobicContact CG-CG 4.49Å; L1633-R1635 HydrophobicContact CD2-CG 4.07Å; L1633-R1635 HydrophobicContact CG-CG 4.44Å; L1633-R1635 PolarHBondContact O-N 3.41Å
1636N83.3Confident87.8Confident102 Ų10245.4 Ų45.455%0.54523%0.225SC..EExtended strand (participates in β ladder)trans-84.1-12.3-179.9-63.7-25.8000113.3N1634N1634-N1636 PolarHBondContact O-N 3.41Å; N1634-N1636 PolarHBondContact OD1-N 3.24Å
1637K86.8Confident88.4Confident87 Ų8745.5 Ų45.538%0.37822%0.223SC..EExtended strand (participates in β ladder)trans-128.2113.4-176.2-171.3164165.8-159.80110.4Y1619 E1620 N1634 A1639Y1619-K1637 CarbonylContact C-O 3.59Å; Y1619-K1637 VanDerWaalsContact CA-O 3.31Å; Y1619-K1637 WeakPolarHBondContact CA-O 3.21Å; E1620-K1637 HydrophobicContact CB-CB 4.05Å; E1620-K1637 HydrophobicContact CB-CG 4.24Å; E1620-K1637 PolarHBondContact N-O 3.36Å; E1620-K1637 WeakPolarHBondContact OE1-CD 3.47Å; E1620-K1637 VanDerWaalsContact OE1-CE 3.31Å; E1620-K1637 WeakPolarHBondContact OE1-CE 2.96Å; E1620-K1637 IonicContact OE1-NZ 3.44Å; E1620-K1637 PolarHBondContact OE1-NZ 2.69Å; E1620-K1637 IonicContact OE2-NZ 3.06Å; N1634-K1637 PolarHBondContact O-N 3.14Å; K1637-A1639 PolarHBondContact O-N 2.71Å
1638I91.7Very high89.1Confident60 Ų6051.7 Ų51.731%0.30825%0.249SC..EExtended strand (participates in β ladder)trans-81.8117.5176.6-58.9160.9000107.7F1617 Y1619 I1641 P1776F1617-I1638 HydrophobicContact CB-CG1 4.43Å; F1617-I1638 HydrophobicContact CB-CG2 4.33Å; F1617-I1638 HydrophobicContact CD1-CB 4.39Å; F1617-I1638 HydrophobicContact CD1-CD1 3.61Å; F1617-I1638 HydrophobicContact CD1-CG1 3.93Å; F1617-I1638 HydrophobicContact CD1-CG2 3.54Å; F1617-I1638 HydrophobicContact CE1-CD1 3.58Å; F1617-I1638 HydrophobicContact CE1-CG1 4.4Å; F1617-I1638 HydrophobicContact CE1-CG2 4.26Å; F1617-I1638 HydrophobicContact CG-CD1 4.12Å; F1617-I1638 HydrophobicContact CG-CG1 4.22Å; F1617-I1638 HydrophobicContact CG-CG2 4.31Å; F1617-I1638 HydrophobicContact CZ-CD1 4.09Å; Y1619-I1638 HydrophobicContact CD1-CG1 4.07Å; Y1619-I1638 HydrophobicContact CE1-CG1 4.02Å; I1638-I1641 HydrophobicContact CG2-CG1 4.47Å; I1638-P1776 HydrophobicContact CG2-CB 3.82Å; I1638-P1776 HydrophobicContact CG2-CG 4.39Å
1639A91.2Very high90.2Very high26 Ų2646.2 Ų46.222%0.21524%0.24CC..EExtended strand (participates in β ladder)trans-94.5-40.7177.700000111.3I1618 E1620 K1637 P1776 T1777I1618-A1639 PolarHBondContact O-N 3.24Å; E1620-A1639 HydrophobicContact CB-CB 4.48Å; K1637-A1639 PolarHBondContact O-N 2.71Å; A1639-P1776 WeakPolarHBondContact O-CA 3.47Å; A1639-T1777 PolarHBondContact O-N 2.89Å
1640Y97.8Very high91.4Very high9 Ų944 Ų444%0.03523%0.227CC..EExtended strand (participates in β ladder)trans-138.4162.3-178.3-42.3-95.1000111.9I1618 T1777 V1779 I1792 D1795 L1796I1618-Y1640 HydrophobicContact CB-CD2 4.27Å; I1618-Y1640 HydrophobicContact CG2-CD2 4.26Å; I1618-Y1640 PolarHBondContact N-O 2.99Å; I1618-Y1640 PolarHBondContact O-N 2.82Å; Y1640-T1777 CarbonylContact C-O 3.57Å; Y1640-T1777 VanDerWaalsContact CA-O 3.26Å; Y1640-T1777 WeakPolarHBondContact CA-O 2.95Å; Y1640-T1777 WeakPolarHBondContact CB-O 2.98Å; Y1640-V1779 HydrophobicContact CD1-CG2 4.36Å; Y1640-I1792 HydrophobicContact CD1-CG1 4.01Å; Y1640-I1792 HydrophobicContact CD1-CG2 4.47Å; Y1640-I1792 HydrophobicContact CD2-CG1 4.48Å; Y1640-I1792 HydrophobicContact CD2-CG2 3.69Å; Y1640-I1792 HydrophobicContact CE1-CG1 4.47Å; Y1640-I1792 HydrophobicContact CE1-CG2 4.47Å; Y1640-I1792 HydrophobicContact CE2-CG2 3.7Å; Y1640-I1792 HydrophobicContact CG-CD1 4.15Å; Y1640-I1792 HydrophobicContact CG-CG1 4.04Å; Y1640-I1792 HydrophobicContact CG-CG2 4.12Å; Y1640-D1795 WeakPolarHBondContact CE1-OD2 3.46Å; Y1640-D1795 VanDerWaalsContact CZ-OD2 3.28Å; Y1640-D1795 PolarHBondContact OH-OD2 2.62Å; Y1640-L1796 HydrophobicContact CE2-CD2 4.33Å; Y1640-L1796 HydrophobicContact CE2-CG 4.42Å
1641I98.2Very high91.9Very high0 Ų040.8 Ų40.80%021%0.212CC..EExtended strand (participates in β ladder)trans-118.5124.2161.8-68.9167.4000107.4V1598 A1615 S1616 F1617 I1638 M1657 Q1661 I1663 P1776 T1777 L1778 V1779V1598-I1641 HydrophobicContact CG2-CD1 4.34Å; V1598-I1641 HydrophobicContact CG2-CG1 4.24Å; V1598-I1641 HydrophobicContact CG2-CG2 3.81Å; A1615-I1641 HydrophobicContact CB-CG2 3.95Å; S1616-I1641 WeakPolarHBondContact O-CA 3.48Å; F1617-I1641 HydrophobicContact CD1-CD1 4.16Å; F1617-I1641 HydrophobicContact CD1-CG1 3.77Å; F1617-I1641 HydrophobicContact CE1-CD1 3.93Å; F1617-I1641 HydrophobicContact CE1-CG1 4.07Å; I1638-I1641 HydrophobicContact CG2-CG1 4.47Å; I1641-M1657 HydrophobicContact CG2-CE 4.38Å; I1641-M1657 HydrophobicContact CG2-SD 4.07Å; I1641-Q1661 HydrophobicContact CD1-CB 3.6Å; I1641-Q1661 HydrophobicContact CD1-CG 3.75Å; I1641-I1663 HydrophobicContact CD1-CD1 3.61Å; I1641-I1663 HydrophobicContact CD1-CG1 4.14Å; I1641-P1776 HydrophobicContact CD1-CG 4.42Å; I1641-T1777 PolarHBondContact N-O 3.46Å; I1641-L1778 HydrophobicContact CB-CD1 3.81Å; I1641-L1778 HydrophobicContact CG2-CD1 3.48Å; I1641-L1778 VanDerWaalsContact CG2-CD1 3.48Å; I1641-V1779 PolarHBondContact O-N 3.23Å
1642A98.3Very high92.3Very high0 Ų041 Ų410%021%0.214CC..EExtended strand (participates in β ladder)trans-99.2115.4173.400000108.9A1615 S1616 I1618 V1779 T1788 M1824A1615-A1642 CarbonylContact C-O 3.53Å; A1615-A1642 VanDerWaalsContact CA-O 3.29Å; A1615-A1642 WeakPolarHBondContact CA-O 2.93Å; S1616-A1642 PolarHBondContact N-O 2.85Å; S1616-A1642 PolarHBondContact O-N 3.39Å; I1618-A1642 HydrophobicContact CD1-CB 3.89Å; I1618-A1642 HydrophobicContact CG1-CB 3.81Å; A1642-V1779 WeakPolarHBondContact CA-O 3.44Å; A1642-T1788 HydrophobicContact CB-CG2 3.78Å; A1642-M1824 HydrophobicContact CB-CE 4.01Å; A1642-M1824 HydrophobicContact CB-SD 4.4Å
1643S97.8Very high92.6Very high1 Ų137.8 Ų37.81%0.00719%0.194CC..EExtended strand (participates in β ladder)trans-121.2152.5-176.1179.50000111.9V1779 H1780 G1784S1643-V1779 PolarHBondContact N-O 3.49Å; S1643-H1780 WeakPolarHBondContact O-CA 3.45Å; S1643-H1780 WeakPolarHBondContact O-CB 3.22Å; S1643-G1784 WeakPolarHBondContact O-CA 3.28Å
1644Q96Very high92.9Very high6 Ų636.8 Ų36.83%0.02819%0.189CC..PPolyproline II helixtrans-64.9160.816073.7177.32400110.7L1584 N1614L1584-Q1644 PolarHBondContact O-NE2 3.09Å; N1614-Q1644 HydrophobicContact CB-CG 3.96Å; N1614-Q1644 PolarHBondContact ND2-OE1 2.97Å; N1614-Q1644 PolarHBondContact O-N 2.8Å
1645A95.5Very high93.2Very high0 Ų035 Ų350%018%0.179CC..PPolyproline II helixtrans-61.4129.7163.600000109.7R1586 K1679 C1680 C1781 T1782R1586-A1645 PolarHBondContact NE-O 2.88Å; A1645-K1679 WeakPolarHBondContact CB-O 3.28Å; A1645-C1680 HydrophobicContact CB-CB 3.66Å; A1645-C1680 VanDerWaalsContact CB-SG 3.58Å; A1645-C1781 WeakPolarHBondContact CA-O 3.41Å; A1645-C1781 WeakPolarHBondContact CB-O 3.33Å; A1645-C1781 PolarHBondContact N-O 2.78Å; A1645-C1781 VanDerWaalsContact N-O 3.14Å; A1645-T1782 PolarHBondContact N-O 3.48Å
1646P95.6Very high93.5Very high1 Ų129.8 Ų29.81%0.00616%0.16CC..PPolyproline II helixtrans-56.4144.9179.320.7-30.3000111.3R1586 V1651 F1654 C1681 Y1683R1586-P1646 PolarHBondContact NH2-O 3.24Å; P1646-V1651 HydrophobicContact CB-CG2 4.34Å; P1646-F1654 HydrophobicContact CB-CB 4.01Å; P1646-F1654 HydrophobicContact CB-CD2 4.15Å; P1646-F1654 HydrophobicContact CB-CG 4.02Å; P1646-F1654 HydrophobicContact CG-CD1 4.19Å; P1646-F1654 HydrophobicContact CG-CD2 4.14Å; P1646-F1654 HydrophobicContact CG-CE1 4.39Å; P1646-F1654 HydrophobicContact CG-CE2 4.34Å; P1646-F1654 HydrophobicContact CG-CG 4.05Å; P1646-F1654 HydrophobicContact CG-CZ 4.44Å; P1646-C1681 PolarHBondContact O-N 3.46Å; P1646-C1681 PolarHBondContact O-SG 2.77Å; P1646-Y1683 HydrophobicContact CG-CD1 3.4Å; P1646-Y1683 VanDerWaalsContact CG-CD1 3.4Å; P1646-Y1683 HydrophobicContact CG-CE1 4.01Å; P1646-Y1683 HydrophobicContact CG-CG 3.94Å
1647L94.2Very high94Very high32 Ų3225 Ų2517%0.16813%0.134CC..PPolyproline II helixtrans-87.9158.9165.7-62.4163.6000107.7R1586 S1649 T1650 V1651 C1681R1586-L1647 HydrophobicContact CB-CD2 4.13Å; R1586-L1647 HydrophobicContact CB-CG 4.46Å; R1586-L1647 HydrophobicContact CG-CD2 4.27Å; L1647-S1649 PolarHBondContact O-N 2.77Å; L1647-S1649 VanDerWaalsContact O-N 3.16Å; L1647-T1650 HydrophobicContact CB-CG2 4.19Å; L1647-T1650 HydrophobicContact CD1-CG2 4.22Å; L1647-T1650 PolarHBondContact N-OG1 2.88Å; L1647-T1650 CarbonylContact O-C 3.59Å; L1647-T1650 PolarHBondContact O-N 2.85Å; L1647-T1650 PolarHBondContact O-OG1 3.07Å; L1647-V1651 WeakPolarHBondContact O-CG2 3.29Å; L1647-V1651 PolarHBondContact O-N 2.93Å; L1647-V1651 VanDerWaalsContact O-N 3.12Å; L1647-C1681 VanDerWaalsContact C-SG 3.59Å
1648E90.7Very high94.3Very high173 Ų17320.8 Ų20.881%0.80812%0.116SC*.G310 helixtrans-52.1-40.1174-71.9-178.9167.800111.9T1650 C1681E1648-T1650 VanDerWaalsContact C-N 3.27Å; E1648-T1650 PolarHBondContact O-N 2.86Å; E1648-C1681 HydrophobicContact CG-CB 4.1Å
1649S91Very high94.2Very high83 Ų8319.1 Ų19.158%0.5811%0.107SC*.G310 helixtrans-72.2-14.3178.3560000114.7L1647L1647-S1649 PolarHBondContact O-N 2.77Å; L1647-S1649 VanDerWaalsContact O-N 3.16Å
1650T93.6Very high94.1Very high8 Ų819 Ų195%0.04910%0.103CC..G310 helixtrans-118.38.1-175.873.30000113L1584 L1647 E1648 G1652 D1653 F1654L1584-T1650 HydrophobicContact CB-CG2 4.07Å; L1584-T1650 HydrophobicContact CD2-CG2 3.89Å; L1647-T1650 HydrophobicContact CB-CG2 4.19Å; L1647-T1650 HydrophobicContact CD1-CG2 4.22Å; L1647-T1650 PolarHBondContact N-OG1 2.88Å; L1647-T1650 CarbonylContact O-C 3.59Å; L1647-T1650 PolarHBondContact O-N 2.85Å; L1647-T1650 PolarHBondContact O-OG1 3.07Å; E1648-T1650 VanDerWaalsContact C-N 3.27Å; E1648-T1650 PolarHBondContact O-N 2.86Å; T1650-G1652 VanDerWaalsContact C-N 3.32Å; T1650-G1652 PolarHBondContact O-N 2.84Å; T1650-D1653 PolarHBondContact O-N 2.83Å; T1650-F1654 WeakPolarHBondContact O-CB 3.29Å; T1650-F1654 PolarHBondContact O-N 2.85Å
1651V95.5Very high93.7Very high8 Ų820.4 Ų20.45%0.04811%0.11CC..Hα-helixtrans-61.3-42.2179.3176.20000111.2P1646 L1647 D1653 F1654 W1655 C1681 F1694P1646-V1651 HydrophobicContact CB-CG2 4.34Å; L1647-V1651 WeakPolarHBondContact O-CG2 3.29Å; L1647-V1651 PolarHBondContact O-N 2.93Å; L1647-V1651 VanDerWaalsContact O-N 3.12Å; V1651-D1653 VanDerWaalsContact C-N 3.34Å; V1651-D1653 PolarHBondContact O-N 2.85Å; V1651-F1654 WeakPolarHBondContact O-CB 3.17Å; V1651-F1654 PolarHBondContact O-N 2.81Å; V1651-W1655 PolarHBondContact O-N 2.83Å; V1651-C1681 WeakPolarHBondContact CG2-SG 3.44Å; V1651-F1694 HydrophobicContact CB-CD1 4.11Å; V1651-F1694 HydrophobicContact CG1-CB 4.27Å; V1651-F1694 HydrophobicContact CG1-CD1 3.36Å; V1651-F1694 HydrophobicContact CG1-CD2 4.16Å; V1651-F1694 HydrophobicContact CG1-CE1 3.59Å; V1651-F1694 HydrophobicContact CG1-CE2 4.35Å; V1651-F1694 HydrophobicContact CG1-CG 3.66Å; V1651-F1694 HydrophobicContact CG1-CZ 4.09Å
1652G92.8Very high93.3Very high4 Ų424.9 Ų24.94%0.04113%0.134CC..Hα-helixtrans-60.6-44.6175.400000112T1650 F1654 W1655 R1656 Q1695T1650-G1652 VanDerWaalsContact C-N 3.32Å; T1650-G1652 PolarHBondContact O-N 2.84Å; G1652-F1654 VanDerWaalsContact C-N 3.3Å; G1652-F1654 PolarHBondContact O-N 2.98Å; G1652-W1655 PolarHBondContact O-N 2.85Å; G1652-R1656 VanDerWaalsContact O-CB 3.3Å; G1652-R1656 WeakPolarHBondContact O-CB 3.38Å; G1652-R1656 PolarHBondContact O-N 2.87Å; G1652-Q1695 WeakPolarHBondContact CA-O 3.31Å
1653D92.7Very high93.1Very high22 Ų2224.9 Ų24.912%0.11813%0.134CC..Hα-helixtrans-64.4-36177.9-63.5-27.2000111.8L1600 T1650 V1651 R1656 M1657 S1696L1600-D1653 HydrophobicContact CD1-CB 3.9Å; T1650-D1653 PolarHBondContact O-N 2.83Å; V1651-D1653 VanDerWaalsContact C-N 3.34Å; V1651-D1653 PolarHBondContact O-N 2.85Å; D1653-R1656 PolarHBondContact O-N 2.8Å; D1653-M1657 WeakPolarHBondContact O-CB 3.48Å; D1653-M1657 PolarHBondContact O-N 2.87Å; D1653-S1696 WeakPolarHBondContact OD1-CB 3.12Å; D1653-S1696 PolarHBondContact OD1-OG 2.6Å
1654F95.4Very high92.9Very high2 Ų225.2 Ų25.21%0.00914%0.136CC..Hα-helixtrans-65.4-44.8175.9-174.4-95.7000111.9P1646 T1650 V1651 G1652 M1657 I1658 Y1683 L1778P1646-F1654 HydrophobicContact CB-CB 4.01Å; P1646-F1654 HydrophobicContact CB-CD2 4.15Å; P1646-F1654 HydrophobicContact CB-CG 4.02Å; P1646-F1654 HydrophobicContact CG-CD1 4.19Å; P1646-F1654 HydrophobicContact CG-CD2 4.14Å; P1646-F1654 HydrophobicContact CG-CE1 4.39Å; P1646-F1654 HydrophobicContact CG-CE2 4.34Å; P1646-F1654 HydrophobicContact CG-CG 4.05Å; P1646-F1654 HydrophobicContact CG-CZ 4.44Å; T1650-F1654 WeakPolarHBondContact O-CB 3.29Å; T1650-F1654 PolarHBondContact O-N 2.85Å; V1651-F1654 WeakPolarHBondContact O-CB 3.17Å; V1651-F1654 PolarHBondContact O-N 2.81Å; G1652-F1654 VanDerWaalsContact C-N 3.3Å; G1652-F1654 PolarHBondContact O-N 2.98Å; F1654-M1657 HydrophobicContact CD2-CE 3.88Å; F1654-M1657 HydrophobicContact CE2-CE 4.07Å; F1654-M1657 WeakPolarHBondContact O-CB 3.46Å; F1654-M1657 PolarHBondContact O-N 2.62Å; F1654-I1658 HydrophobicContact CD1-CD1 3.7Å; F1654-I1658 HydrophobicContact CE1-CD1 3.5Å; F1654-I1658 VanDerWaalsContact CE1-CD1 3.5Å; F1654-I1658 HydrophobicContact CZ-CD1 4.27Å; F1654-I1658 WeakPolarHBondContact O-CG1 3.38Å; F1654-I1658 PolarHBondContact O-N 3.07Å; F1654-I1658 VanDerWaalsContact O-N 3.09Å; F1654-Y1683 HydrophobicContact CD1-CD2 4.16Å; F1654-Y1683 HydrophobicContact CD1-CE2 4.38Å; F1654-Y1683 HydrophobicContact CD1-CG 4.44Å; F1654-Y1683 AromaticContact CE1-CD2 3.83Å; F1654-Y1683 HydrophobicContact CE1-CD2 3.83Å; F1654-Y1683 HydrophobicContact CE1-CE1 4.29Å; F1654-Y1683 AromaticContact CE1-CE2 3.61Å; F1654-Y1683 HydrophobicContact CE1-CE2 3.61Å; F1654-Y1683 HydrophobicContact CE1-CG 4.29Å; F1654-Y1683 AromaticContact CE1-CZ 3.84Å; F1654-Y1683 HydrophobicContact CZ-CE2 4.41Å; F1654-L1778 HydrophobicContact CE1-CD2 4.03Å; F1654-L1778 HydrophobicContact CE2-CD2 3.84Å; F1654-L1778 HydrophobicContact CZ-CD2 3.42Å; F1654-L1778 VanDerWaalsContact CZ-CD2 3.42Å; F1654-L1778 HydrophobicContact CZ-CG 4.44Å
1655W94.2Very high92.9Very high0 Ų025 Ų250%014%0.135CC..Hα-helixtrans-70.4-36.3174.7-76.3123.4000113.2V1651 G1652 M1657 I1658 L1659 I1666 Y1683 F1694 L1701 V1703 L1719 I1721V1651-W1655 PolarHBondContact O-N 2.83Å; G1652-W1655 PolarHBondContact O-N 2.85Å; W1655-M1657 VanDerWaalsContact C-N 3.31Å; W1655-M1657 PolarHBondContact O-N 3.01Å; W1655-I1658 HydrophobicContact CD2-CD1 4.17Å; W1655-I1658 HydrophobicContact CE3-CB 4.08Å; W1655-I1658 HydrophobicContact CE3-CD1 3.3Å; W1655-I1658 HydrophobicContact CE3-CG1 4.28Å; W1655-I1658 HydrophobicContact CE3-CG2 4.03Å; W1655-I1658 HydrophobicContact CH2-CD1 4.44Å; W1655-I1658 HydrophobicContact CZ3-CD1 3.47Å; W1655-I1658 VanDerWaalsContact CZ3-CD1 3.47Å; W1655-I1658 HydrophobicContact CZ3-CG2 4.14Å; W1655-I1658 WeakPolarHBondContact O-CB 2.82Å; W1655-I1658 PolarHBondContact O-N 2.93Å; W1655-I1658 VanDerWaalsContact O-N 3.15Å; W1655-L1659 PolarHBondContact O-N 3.18Å; W1655-I1666 HydrophobicContact CH2-CD1 4.03Å; W1655-I1666 HydrophobicContact CZ3-CD1 3.92Å; W1655-Y1683 AromaticContact CE2-CD2 3.86Å; W1655-Y1683 HydrophobicContact CH2-CD2 4.16Å; W1655-Y1683 HydrophobicContact CH2-CE2 4.23Å; W1655-Y1683 AromaticContact CZ2-CD2 3.51Å; W1655-Y1683 HydrophobicContact CZ2-CD2 3.51Å; W1655-Y1683 HydrophobicContact CZ2-CE2 4.02Å; W1655-Y1683 WeakPolarHBondContact CZ2-O 3.4Å; W1655-Y1683 PolarHBondContact NE1-O 3.02Å; W1655-F1694 AromaticContact CD1-CD2 3.49Å; W1655-F1694 VanDerWaalsContact CD1-CD2 3.49Å; W1655-F1694 AromaticContact CD1-CE2 3.96Å; W1655-F1694 AromaticContact NE1-CD2 3.64Å; W1655-F1694 AromaticContact NE1-CE2 3.59Å; W1655-L1701 HydrophobicContact CB-CD1 3.67Å; W1655-V1703 HydrophobicContact CD2-CG2 3.88Å; W1655-V1703 HydrophobicContact CG-CG2 3.97Å; W1655-V1703 HydrophobicContact CH2-CG1 4.02Å; W1655-V1703 HydrophobicContact CZ2-CB 4.47Å; W1655-V1703 HydrophobicContact CZ2-CG1 3.61Å; W1655-V1703 HydrophobicContact CZ2-CG2 4.21Å; W1655-L1719 HydrophobicContact CH2-CD1 3.72Å; W1655-L1719 HydrophobicContact CZ2-CD1 4.36Å; W1655-I1721 HydrophobicContact CD2-CD1 4.1Å; W1655-I1721 HydrophobicContact CE3-CD1 3.12Å; W1655-I1721 HydrophobicContact CE3-CG1 3.94Å; W1655-I1721 HydrophobicContact CH2-CD1 4.35Å; W1655-I1721 HydrophobicContact CZ3-CD1 3.3Å; W1655-I1721 HydrophobicContact CZ3-CG1 3.97Å
1656R90.7Very high93Very high2 Ų225 Ų251%0.00814%0.135CC..Hα-helixtrans-60.9-43.5172.3179.3176.9166.6-161.7-7.6110.7L1600 K1601 G1652 D1653 I1658 L1659 D1660 S1696 D1697 L1699 L1701L1600-R1656 HydrophobicContact CD2-CG 4.31Å; K1601-R1656 PolarHBondContact O-NH2 2.85Å; G1652-R1656 VanDerWaalsContact O-CB 3.3Å; G1652-R1656 WeakPolarHBondContact O-CB 3.38Å; G1652-R1656 PolarHBondContact O-N 2.87Å; D1653-R1656 PolarHBondContact O-N 2.8Å; R1656-I1658 VanDerWaalsContact C-N 3.3Å; R1656-I1658 PolarHBondContact O-N 2.83Å; R1656-L1659 PolarHBondContact O-N 3.11Å; R1656-D1660 IonicContact NE-OD2 3.41Å; R1656-D1660 VanDerWaalsContact O-CB 3.25Å; R1656-D1660 WeakPolarHBondContact O-CB 3.44Å; R1656-D1660 VanDerWaalsContact O-CG 3.24Å; R1656-D1660 PolarHBondContact O-N 3.48Å; R1656-S1696 WeakPolarHBondContact CD-OG 3.35Å; R1656-S1696 PolarHBondContact NH1-OG 3.03Å; R1656-D1697 IonicContact NH1-OD2 3.14Å; R1656-D1697 PolarHBondContact NH1-OD2 3.22Å; R1656-L1699 HydrophobicContact CB-CD2 4.49Å; R1656-L1699 HydrophobicContact CG-CD2 4.08Å; R1656-L1701 HydrophobicContact CB-CD1 3.98Å; R1656-L1701 VanDerWaalsContact N-CD1 3.29Å
1657M93.4Very high93.1Very high0 Ų024.9 Ų24.90%013%0.134CC..Hα-helixtrans-57.3-43.2173.1178.7-176.967.200111.7V1598 L1600 V1613 A1615 I1641 D1653 F1654 W1655 D1660 Q1661 L1778V1598-M1657 HydrophobicContact CB-SD 4.16Å; V1598-M1657 HydrophobicContact CG1-CG 3.76Å; V1598-M1657 HydrophobicContact CG1-SD 4.01Å; V1598-M1657 HydrophobicContact CG2-SD 4.27Å; L1600-M1657 HydrophobicContact CD2-CB 3.83Å; V1613-M1657 HydrophobicContact CG1-CG 4.44Å; V1613-M1657 HydrophobicContact CG1-SD 3.9Å; V1613-M1657 HydrophobicContact CG2-SD 4.31Å; A1615-M1657 HydrophobicContact CB-CE 4.31Å; A1615-M1657 HydrophobicContact CB-SD 3.49Å; A1615-M1657 WeakPolarHBondContact CB-SD 3.42Å; I1641-M1657 HydrophobicContact CG2-CE 4.38Å; I1641-M1657 HydrophobicContact CG2-SD 4.07Å; D1653-M1657 WeakPolarHBondContact O-CB 3.48Å; D1653-M1657 PolarHBondContact O-N 2.87Å; F1654-M1657 HydrophobicContact CD2-CE 3.88Å; F1654-M1657 HydrophobicContact CE2-CE 4.07Å; F1654-M1657 WeakPolarHBondContact O-CB 3.46Å; F1654-M1657 PolarHBondContact O-N 2.62Å; W1655-M1657 VanDerWaalsContact C-N 3.31Å; W1655-M1657 PolarHBondContact O-N 3.01Å; M1657-D1660 PolarHBondContact O-N 2.78Å; M1657-Q1661 HydrophobicContact CG-CG 4.18Å; M1657-Q1661 VanDerWaalsContact O-CB 3.29Å; M1657-Q1661 WeakPolarHBondContact O-CB 3.42Å; M1657-Q1661 VanDerWaalsContact O-CG 3.29Å; M1657-Q1661 WeakPolarHBondContact O-CG 3.08Å; M1657-Q1661 PolarHBondContact O-N 2.76Å; M1657-L1778 HydrophobicContact CE-CD1 3.68Å; M1657-L1778 HydrophobicContact CE-CD2 4.07Å
1658I94.3Very high93.2Very high0 Ų023.4 Ų23.40%013%0.126CC..Hα-helixtrans-61.6-43.8179.3-75.9161000111.8F1654 W1655 R1656 N1662 I1663 I1666 I1721 V1737 L1778F1654-I1658 HydrophobicContact CD1-CD1 3.7Å; F1654-I1658 HydrophobicContact CE1-CD1 3.5Å; F1654-I1658 VanDerWaalsContact CE1-CD1 3.5Å; F1654-I1658 HydrophobicContact CZ-CD1 4.27Å; F1654-I1658 WeakPolarHBondContact O-CG1 3.38Å; F1654-I1658 PolarHBondContact O-N 3.07Å; F1654-I1658 VanDerWaalsContact O-N 3.09Å; W1655-I1658 HydrophobicContact CD2-CD1 4.17Å; W1655-I1658 HydrophobicContact CE3-CB 4.08Å; W1655-I1658 HydrophobicContact CE3-CD1 3.3Å; W1655-I1658 HydrophobicContact CE3-CG1 4.28Å; W1655-I1658 HydrophobicContact CE3-CG2 4.03Å; W1655-I1658 HydrophobicContact CH2-CD1 4.44Å; W1655-I1658 HydrophobicContact CZ3-CD1 3.47Å; W1655-I1658 VanDerWaalsContact CZ3-CD1 3.47Å; W1655-I1658 HydrophobicContact CZ3-CG2 4.14Å; W1655-I1658 WeakPolarHBondContact O-CB 2.82Å; W1655-I1658 PolarHBondContact O-N 2.93Å; W1655-I1658 VanDerWaalsContact O-N 3.15Å; R1656-I1658 VanDerWaalsContact C-N 3.3Å; R1656-I1658 PolarHBondContact O-N 2.83Å; I1658-N1662 PolarHBondContact O-N 3.46Å; I1658-I1663 HydrophobicContact CB-CB 4.36Å; I1658-I1663 HydrophobicContact CB-CD1 4.5Å; I1658-I1663 HydrophobicContact CG1-CB 4.32Å; I1658-I1663 HydrophobicContact CG1-CD1 3.98Å; I1658-I1663 HydrophobicContact CG1-CG2 4.42Å; I1658-I1663 HydrophobicContact CG2-CB 4.07Å; I1658-I1663 HydrophobicContact CG2-CG2 4.47Å; I1658-I1663 PolarHBondContact O-N 3.24Å; I1658-I1666 HydrophobicContact CD1-CD1 3.64Å; I1658-I1666 HydrophobicContact CD1-CG1 4.3Å; I1658-I1721 HydrophobicContact CG2-CD1 3.66Å; I1658-V1737 HydrophobicContact CG2-CG2 3.89Å; I1658-L1778 HydrophobicContact CD1-CD2 3.76Å; I1658-L1778 HydrophobicContact CG1-CD2 3.71Å
1659L89.2Confident93.5Very high24 Ų2415.1 Ų15.113%0.1269%0.088CC..Hα-helixtrans-67-51.3173.4-81.4168000111.8W1655 R1656 Q1661 N1662 L1701 I1721 K1735W1655-L1659 PolarHBondContact O-N 3.18Å; R1656-L1659 PolarHBondContact O-N 3.11Å; L1659-Q1661 PolarHBondContact O-N 2.86Å; L1659-N1662 PolarHBondContact O-N 2.78Å; L1659-L1701 HydrophobicContact CD1-CD1 4.27Å; L1659-L1701 HydrophobicContact CD1-CD2 3.29Å; L1659-L1701 HydrophobicContact CD1-CG 4.39Å; L1659-I1721 HydrophobicContact CD1-CG2 3.61Å; L1659-I1721 HydrophobicContact CD2-CG2 4.21Å; L1659-I1721 HydrophobicContact CG-CG2 3.92Å; L1659-K1735 HydrophobicContact CD2-CB 4.05Å
1660D88.4Confident93.5Very high25 Ų2511.2 Ų11.213%0.1346%0.06CC..Hα-helixtrans-56.6-39.6-176-80.5-13.5000112.2K1601 R1656 M1657K1601-D1660 HydrophobicContact CD-CB 4.17Å; K1601-D1660 WeakPolarHBondContact CD-OD1 3.33Å; K1601-D1660 WeakPolarHBondContact CE-O 3.32Å; K1601-D1660 HydrophobicContact CG-CB 4.1Å; K1601-D1660 PolarHBondContact N-OD2 2.78Å; K1601-D1660 PolarHBondContact NZ-O 3.29Å; R1656-D1660 IonicContact NE-OD2 3.41Å; R1656-D1660 VanDerWaalsContact O-CB 3.25Å; R1656-D1660 WeakPolarHBondContact O-CB 3.44Å; R1656-D1660 VanDerWaalsContact O-CG 3.24Å; R1656-D1660 PolarHBondContact O-N 3.48Å; M1657-D1660 PolarHBondContact O-N 2.78Å
1661Q90.7Very high93.4Very high37 Ų3714.9 Ų14.917%0.1738%0.076CC..THydrogen-bonded Turntrans-97.49.2-177.3-54.3-52.7-44.400113.5V1598 F1617 I1641 M1657 L1659 I1663 P1776V1598-Q1661 HydrophobicContact CG1-CG 3.76Å; F1617-Q1661 HydrophobicContact CE1-CG 4.25Å; F1617-Q1661 VanDerWaalsContact CE1-OE1 3.31Å; F1617-Q1661 VanDerWaalsContact CZ-OE1 3.3Å; I1641-Q1661 HydrophobicContact CD1-CB 3.6Å; I1641-Q1661 HydrophobicContact CD1-CG 3.75Å; M1657-Q1661 HydrophobicContact CG-CG 4.18Å; M1657-Q1661 VanDerWaalsContact O-CB 3.29Å; M1657-Q1661 WeakPolarHBondContact O-CB 3.42Å; M1657-Q1661 VanDerWaalsContact O-CG 3.29Å; M1657-Q1661 WeakPolarHBondContact O-CG 3.08Å; M1657-Q1661 PolarHBondContact O-N 2.76Å; L1659-Q1661 PolarHBondContact O-N 2.86Å; Q1661-I1663 VanDerWaalsContact C-N 3.26Å; Q1661-I1663 HydrophobicContact CB-CD1 4.19Å; Q1661-I1663 HydrophobicContact CB-CG1 4.11Å; Q1661-I1663 PolarHBondContact O-N 3.39Å; Q1661-P1776 WeakPolarHBondContact O-CG 3.41Å
1662N89.7Confident93.2Very high95 Ų9516.2 Ų16.251%0.5088%0.082SC..THydrogen-bonded Turntrans56.737.8174.6-158.241.6000112.8I1658 L1659 K1735 S1775I1658-N1662 PolarHBondContact O-N 3.46Å; L1659-N1662 PolarHBondContact O-N 2.78Å; N1662-K1735 PolarHBondContact O-NZ 2.87Å; N1662-K1735 WeakPolarHBondContact OD1-CE 3.43Å; N1662-K1735 PolarHBondContact OD1-NZ 2.8Å; N1662-S1775 PolarHBondContact O-OG 3.01Å
1663I92.8Very high93.1Very high0 Ų023.1 Ų23.10%011%0.108CC..  trans-73.7130.2-177.7-66.1168.1000109.8I1641 I1658 Q1661 I1665 I1666 S1775 P1776 L1778I1641-I1663 HydrophobicContact CD1-CD1 3.61Å; I1641-I1663 HydrophobicContact CD1-CG1 4.14Å; I1658-I1663 HydrophobicContact CB-CB 4.36Å; I1658-I1663 HydrophobicContact CB-CD1 4.5Å; I1658-I1663 HydrophobicContact CG1-CB 4.32Å; I1658-I1663 HydrophobicContact CG1-CD1 3.98Å; I1658-I1663 HydrophobicContact CG1-CG2 4.42Å; I1658-I1663 HydrophobicContact CG2-CB 4.07Å; I1658-I1663 HydrophobicContact CG2-CG2 4.47Å; I1658-I1663 PolarHBondContact O-N 3.24Å; Q1661-I1663 VanDerWaalsContact C-N 3.26Å; Q1661-I1663 HydrophobicContact CB-CD1 4.19Å; Q1661-I1663 HydrophobicContact CB-CG1 4.11Å; Q1661-I1663 PolarHBondContact O-N 3.39Å; I1663-I1665 WeakPolarHBondContact CG2-O 3.49Å; I1663-I1666 HydrophobicContact CG2-CG1 4.4Å; I1663-S1775 WeakPolarHBondContact CA-OG 3.24Å; I1663-P1776 HydrophobicContact CG1-CG 4.37Å; I1663-L1778 HydrophobicContact CD1-CB 3.77Å; I1663-L1778 HydrophobicContact CD1-CD1 4.23Å; I1663-L1778 HydrophobicContact CD1-CD2 4.16Å; I1663-L1778 HydrophobicContact CD1-CG 4.29Å; I1663-L1778 HydrophobicContact CG1-CB 4.43Å; I1663-L1778 HydrophobicContact CG2-CB 3.7Å
1664T93.4Very high92.7Very high8 Ų822.8 Ų22.85%0.04911%0.106CC..  trans-113.5-16.9174.554.80000113.7K1735 V1737 V1738 Y1772 S1775T1664-K1735 HydrophobicContact CG2-CD 4.44Å; T1664-K1735 VanDerWaalsContact CG2-CE 3.43Å; T1664-V1737 CarbonylContact O-C 3.54Å; T1664-V1737 WeakPolarHBondContact O-CA 3.38Å; T1664-V1738 PolarHBondContact O-N 3.45Å; T1664-Y1772 WeakPolarHBondContact OG1-CD1 3.46Å; T1664-S1775 PolarHBondContact N-OG 2.74Å; T1664-S1775 WeakPolarHBondContact OG1-CB 3.47Å; T1664-S1775 PolarHBondContact OG1-OG 2.76Å
1665I96.7Very high92.1Very high0 Ų029.8 Ų29.80%014%0.143CC..EExtended strand (participates in β ladder)trans-127.6128178.2-58.7178.4000109.3I1663 V1667 V1738 F1740 Y1763 L1766 K1767 Y1772 T1777 L1778I1663-I1665 WeakPolarHBondContact CG2-O 3.49Å; I1665-V1667 HydrophobicContact CG2-CG2 4.15Å; I1665-V1738 CarbonylContact C-O 3.51Å; I1665-V1738 VanDerWaalsContact CA-O 3.31Å; I1665-V1738 WeakPolarHBondContact CA-O 3.34Å; I1665-F1740 HydrophobicContact CG2-CD2 4.09Å; I1665-F1740 HydrophobicContact CG2-CE2 4.37Å; I1665-Y1763 HydrophobicContact CD1-CE2 4.41Å; I1665-Y1763 HydrophobicContact CG2-CD2 4.2Å; I1665-Y1763 HydrophobicContact CG2-CE2 4.05Å; I1665-L1766 HydrophobicContact CD1-CD2 3.94Å; I1665-L1766 HydrophobicContact CD1-CG 4.35Å; I1665-L1766 HydrophobicContact CG1-CD2 4.28Å; I1665-K1767 HydrophobicContact CD1-CB 4.37Å; I1665-K1767 HydrophobicContact CD1-CD 3.94Å; I1665-Y1772 HydrophobicContact CD1-CD1 3.95Å; I1665-Y1772 HydrophobicContact CD1-CG 4.03Å; I1665-Y1772 HydrophobicContact CG1-CD1 3.7Å; I1665-Y1772 HydrophobicContact CG1-CE1 4.46Å; I1665-Y1772 HydrophobicContact CG1-CG 4.3Å; I1665-T1777 HydrophobicContact CB-CG2 4.34Å; I1665-T1777 HydrophobicContact CG2-CG2 4.09Å; I1665-L1778 PolarHBondContact O-N 2.89Å
1666I97.9Very high91.6Very high0 Ų037.5 Ų37.50%018%0.184CC..EExtended strand (participates in β ladder)trans-109.9132.5168.4-51.3172.7000108W1655 I1658 I1663 Y1683 V1737 V1738 Q1739 F1740 L1778W1655-I1666 HydrophobicContact CH2-CD1 4.03Å; W1655-I1666 HydrophobicContact CZ3-CD1 3.92Å; I1658-I1666 HydrophobicContact CD1-CD1 3.64Å; I1658-I1666 HydrophobicContact CD1-CG1 4.3Å; I1663-I1666 HydrophobicContact CG2-CG1 4.4Å; I1666-Y1683 HydrophobicContact CD1-CE2 4.24Å; I1666-V1737 HydrophobicContact CD1-CG1 3.65Å; I1666-V1737 HydrophobicContact CG1-CG1 3.64Å; I1666-V1738 PolarHBondContact N-O 2.86Å; I1666-Q1739 HydrophobicContact CB-CB 4.28Å; I1666-Q1739 HydrophobicContact CB-CG 4.14Å; I1666-Q1739 HydrophobicContact CG2-CG 4.28Å; I1666-Q1739 CarbonylContact O-C 3.54Å; I1666-Q1739 WeakPolarHBondContact O-CA 3.44Å; I1666-F1740 PolarHBondContact O-N 2.89Å; I1666-L1778 CarbonylContact C-O 3.47Å; I1666-L1778 WeakPolarHBondContact CA-O 3.44Å; I1666-L1778 HydrophobicContact CG1-CB 4.47Å; I1666-L1778 HydrophobicContact CG1-CD2 4.15Å; I1666-L1778 HydrophobicContact CG2-CD2 4.18Å; I1666-L1778 HydrophobicContact CG2-CG 4.41Å
1667V97.9Very high91.3Very high0 Ų042.2 Ų42.20%021%0.209CC..EExtended strand (participates in β ladder)trans-115.3106.7170.6-176.40000107.6I1665 L1669 F1740 Y1763 T1777 L1778 V1779 H1780 F1791I1665-V1667 HydrophobicContact CG2-CG2 4.15Å; V1667-L1669 HydrophobicContact CG1-CD1 4.47Å; V1667-L1669 HydrophobicContact CG1-CD2 3.63Å; V1667-L1669 HydrophobicContact CG1-CG 3.93Å; V1667-F1740 CarbonylContact C-O 3.58Å; V1667-F1740 WeakPolarHBondContact CA-O 3.42Å; V1667-Y1763 HydrophobicContact CG2-CD2 4.13Å; V1667-Y1763 HydrophobicContact CG2-CE2 4.16Å; V1667-T1777 HydrophobicContact CG2-CG2 3.74Å; V1667-L1778 PolarHBondContact N-O 2.87Å; V1667-V1779 HydrophobicContact CB-CG1 4.23Å; V1667-V1779 HydrophobicContact CB-CG2 4.26Å; V1667-V1779 HydrophobicContact CG1-CG1 4.41Å; V1667-V1779 WeakPolarHBondContact O-CA 3.42Å; V1667-H1780 PolarHBondContact O-N 3Å; V1667-F1791 HydrophobicContact CB-CE1 4.49Å; V1667-F1791 HydrophobicContact CB-CZ 4.33Å; V1667-F1791 HydrophobicContact CG1-CD2 3.9Å; V1667-F1791 HydrophobicContact CG1-CE1 4.32Å; V1667-F1791 HydrophobicContact CG1-CE2 3.64Å; V1667-F1791 HydrophobicContact CG1-CG 4.36Å; V1667-F1791 HydrophobicContact CG1-CZ 3.89Å; V1667-F1791 HydrophobicContact CG2-CE1 4.09Å; V1667-F1791 HydrophobicContact CG2-CE2 4.35Å; V1667-F1791 HydrophobicContact CG2-CZ 3.78Å
1668M97.1Very high91.1Very high0 Ų044.9 Ų44.90%023%0.227CC..EExtended strand (participates in β ladder)trans-98.4114.9177.2177.8169.2178.800109.2T1670 L1672 C1680 Y1683 W1684 Q1739 F1740 H1741 M1742 H1780M1668-T1670 HydrophobicContact CE-CG2 4.12Å; M1668-T1670 WeakPolarHBondContact CE-O 3.47Å; M1668-T1670 HydrophobicContact CG-CG2 4.45Å; M1668-L1672 HydrophobicContact CE-CD2 4.08Å; M1668-C1680 HydrophobicContact CE-CB 3.86Å; M1668-Y1683 HydrophobicContact SD-CE1 4Å; M1668-W1684 HydrophobicContact CE-CH2 3.75Å; M1668-W1684 HydrophobicContact CE-CZ3 4.01Å; M1668-W1684 HydrophobicContact SD-CH2 3.63Å; M1668-W1684 HydrophobicContact SD-CZ3 3.56Å; M1668-W1684 VanDerWaalsContact SD-CZ3 3.56Å; M1668-Q1739 PolarHBondContact SD-NE2 2.86Å; M1668-Q1739 VanDerWaalsContact SD-NE2 3.43Å; M1668-F1740 PolarHBondContact N-O 3.18Å; M1668-H1741 HydrophobicContact CB-CB 4.37Å; M1668-H1741 WeakPolarHBondContact CE-NE2 3.44Å; M1668-H1741 VanDerWaalsContact CG-CD2 3.46Å; M1668-H1741 WeakPolarHBondContact CG-CD2 3.39Å; M1668-H1741 CarbonylContact O-C 3.59Å; M1668-H1741 WeakPolarHBondContact O-CA 3.24Å; M1668-M1742 PolarHBondContact O-N 3.14Å; M1668-H1780 WeakPolarHBondContact CB-NE2 3.44Å; M1668-H1780 VanDerWaalsContact CG-CE1 3.49Å; M1668-H1780 WeakPolarHBondContact CG-CE1 3.43Å; M1668-H1780 WeakPolarHBondContact CG-NE2 3.3Å
1669L95.5Very high90.9Very high0 Ų045.8 Ų45.80%023%0.231CC..  trans-108.321.5-172.5-58.7169.9000113V1667 M1742 W1745 L1759 V1779 H1780 C1781 R1787 F1791V1667-L1669 HydrophobicContact CG1-CD1 4.47Å; V1667-L1669 HydrophobicContact CG1-CD2 3.63Å; V1667-L1669 HydrophobicContact CG1-CG 3.93Å; L1669-M1742 HydrophobicContact CD2-CB 4.21Å; L1669-M1742 HydrophobicContact CD2-SD 4.39Å; L1669-W1745 HydrophobicContact CB-CE3 4.24Å; L1669-W1745 HydrophobicContact CD1-CZ3 4.08Å; L1669-W1745 HydrophobicContact CD2-CE3 4.02Å; L1669-W1745 HydrophobicContact CD2-CZ3 4.03Å; L1669-W1745 HydrophobicContact CG-CZ3 4.46Å; L1669-L1759 HydrophobicContact CD2-CD2 4.38Å; L1669-V1779 HydrophobicContact CD1-CG1 3.71Å; L1669-V1779 HydrophobicContact CG-CG1 4.49Å; L1669-H1780 PolarHBondContact N-O 3.25Å; L1669-C1781 HydrophobicContact CB-CB 4.2Å; L1669-R1787 HydrophobicContact CB-CB 4Å; L1669-R1787 HydrophobicContact CD1-CB 4.14Å; L1669-R1787 WeakPolarHBondContact CD1-O 3.41Å; L1669-R1787 WeakPolarHBondContact O-CD 3.35Å; L1669-R1787 PolarHBondContact O-NH1 3.28Å; L1669-F1791 HydrophobicContact CD1-CB 3.61Å; L1669-F1791 HydrophobicContact CD1-CD2 4.42Å; L1669-F1791 HydrophobicContact CD1-CG 4.18Å; L1669-F1791 HydrophobicContact CD2-CD2 4.15Å
1670T91.5Very high91.1Very high0 Ų044.7 Ų44.70%023%0.226CC..SBendtrans-141145.8-177.2-1730000109.8M1668 E1674 K1679 C1680 H1741M1668-T1670 HydrophobicContact CE-CG2 4.12Å; M1668-T1670 WeakPolarHBondContact CE-O 3.47Å; M1668-T1670 HydrophobicContact CG-CG2 4.45Å; T1670-E1674 PolarHBondContact OG1-OE1 2.93Å; T1670-K1679 WeakPolarHBondContact OG1-CB 3.28Å; T1670-C1680 HydrophobicContact CG2-CB 4Å; T1670-H1741 PolarHBondContact O-NE2 2.84Å
1671K91Very high91.2Very high86 Ų8644.2 Ų44.237%0.37422%0.224SC..  trans-70.5164.8166-60.5177.9-176.7175.90110Y1673 E1674 M1743K1671-Y1673 VanDerWaalsContact C-N 3.31Å; K1671-Y1673 VanDerWaalsContact CB-O 3.32Å; K1671-Y1673 WeakPolarHBondContact CB-O 3.28Å; K1671-E1674 HydrophobicContact CB-CG 3.86Å; K1671-E1674 HydrophobicContact CD-CG 4.34Å; K1671-E1674 HydrophobicContact CG-CG 4.37Å; K1671-E1674 PolarHBondContact N-OE1 2.85Å; K1671-M1743 WeakPolarHBondContact CE-O 3.29Å; K1671-M1743 HydrophobicContact CG-CE 4.28Å; K1671-M1743 HydrophobicContact CG-SD 4.14Å
1672L91.8Very high91.4Very high36 Ų3645.8 Ų45.819%0.18823%0.232CC..SBendtrans-61.4-44169.2-65.5177.4000111M1668 K1679 C1680 Q1682 W1684M1668-L1672 HydrophobicContact CE-CD2 4.08Å; L1672-K1679 PolarHBondContact O-N 3.36Å; L1672-C1680 HydrophobicContact CD2-CB 4.28Å; L1672-C1680 WeakPolarHBondContact CD2-O 3.42Å; L1672-C1680 PolarHBondContact O-N 2.97Å; L1672-Q1682 HydrophobicContact CD1-CB 4.04Å; L1672-Q1682 HydrophobicContact CD2-CB 4Å; L1672-W1684 HydrophobicContact CD2-CH2 3.73Å; L1672-W1684 HydrophobicContact CD2-CZ2 4.43Å; L1672-W1684 HydrophobicContact CD2-CZ3 4.35Å; L1672-W1684 HydrophobicContact CG-CH2 4.29Å
1673Y90Very high91.7Very high149 Ų14941.3 Ų41.358%0.58421%0.208SC*.EExtended strand (participates in β ladder)trans-128136.1177.8-61.8-88.6000110.3K1671 I1677K1671-Y1673 VanDerWaalsContact C-N 3.31Å; K1671-Y1673 VanDerWaalsContact CB-O 3.32Å; K1671-Y1673 WeakPolarHBondContact CB-O 3.28Å; Y1673-I1677 WeakPolarHBondContact CA-O 3.29Å
1674E85.1Confident91.8Very high14 Ų1441.7 Ų41.77%0.06521%0.209CC..EExtended strand (participates in β ladder)trans-133.4124.1171.6-62.7175.6168.400106.7T1670 K1671 N1676 I1677 K1679 D1747 R1787T1670-E1674 PolarHBondContact OG1-OE1 2.93Å; K1671-E1674 HydrophobicContact CB-CG 3.86Å; K1671-E1674 HydrophobicContact CD-CG 4.34Å; K1671-E1674 HydrophobicContact CG-CG 4.37Å; K1671-E1674 PolarHBondContact N-OE1 2.85Å; E1674-N1676 VanDerWaalsContact C-N 3.26Å; E1674-N1676 PolarHBondContact O-N 2.91Å; E1674-I1677 PolarHBondContact N-O 2.83Å; E1674-I1677 VanDerWaalsContact N-O 3.13Å; E1674-I1677 WeakPolarHBondContact O-CB 3.41Å; E1674-I1677 PolarHBondContact O-N 3.47Å; E1674-K1679 HydrophobicContact CB-CG 3.9Å; E1674-K1679 HydrophobicContact CG-CG 3.92Å; E1674-D1747 HydrophobicContact CB-CB 4.48Å; E1674-D1747 WeakPolarHBondContact OE2-CB 2.94Å; E1674-R1787 VanDerWaalsContact CD-NH2 3.28Å; E1674-R1787 IonicContact OE1-CZ 3.88Å; E1674-R1787 IonicContact OE1-NH1 3.17Å; E1674-R1787 PolarHBondContact OE1-NH1 2.8Å; E1674-R1787 IonicContact OE1-NH2 3.64Å; E1674-R1787 PolarHBondContact OE1-NH2 2.64Å; E1674-R1787 VanDerWaalsContact OE1-NH2 3.09Å; E1674-R1787 IonicContact OE2-CZ 2.7Å; E1674-R1787 IonicContact OE2-NH1 2.65Å; E1674-R1787 IonicContact OE2-NH2 3.99Å; E1674-R1787 PolarHBondContact OE2-NH2 3.08Å
1675D83.6Confident91.9Very high149 Ų14941.3 Ų41.380%0.79721%0.207SC*.THydrogen-bonded Turntrans49.544.2-174.3-56.8-32.5000113.7I1677D1675-I1677 PolarHBondContact O-N 3.36Å; D1675-I1677 VanDerWaalsContact O-N 3.1Å
1676N83.8Confident91.6Very high162 Ų16246.3 Ų46.387%0.86623%0.234SC*.THydrogen-bonded Turntrans60.29.6-174.7-68.7-23.8000115.7E1674E1674-N1676 VanDerWaalsContact C-N 3.26Å; E1674-N1676 PolarHBondContact O-N 2.91Å
1677I83.9Confident91.2Very high101 Ų10151.6 Ų51.652%0.51826%0.262SS..EExtended strand (participates in β ladder)trans-94.7126.6174.5-58.8173.6000108.7Y1673 E1674 D1675 K1679Y1673-I1677 WeakPolarHBondContact CA-O 3.29Å; E1674-I1677 PolarHBondContact N-O 2.83Å; E1674-I1677 VanDerWaalsContact N-O 3.13Å; E1674-I1677 WeakPolarHBondContact O-CB 3.41Å; E1674-I1677 PolarHBondContact O-N 3.47Å; D1675-I1677 PolarHBondContact O-N 3.36Å; D1675-I1677 VanDerWaalsContact O-N 3.1Å; I1677-K1679 HydrophobicContact CG2-CD 4.36Å; I1677-K1679 PolarHBondContact O-N 2.69Å; I1677-K1679 VanDerWaalsContact O-N 3.14Å
1678S88.5Confident90.9Very high56 Ų5655.8 Ų55.839%0.39228%0.283SS..EExtended strand (participates in β ladder)trans-65113173.5178.80000110.2
1679K90.4Very high90.6Very high19 Ų1962.4 Ų62.48%0.08331%0.314CS..  trans-97.6-31.6177.2-60.4-58.8-170.9170.90112.1A1645 T1670 L1672 E1674 I1677 D1747 T1782A1645-K1679 WeakPolarHBondContact CB-O 3.28Å; T1670-K1679 WeakPolarHBondContact OG1-CB 3.28Å; L1672-K1679 PolarHBondContact O-N 3.36Å; E1674-K1679 HydrophobicContact CB-CG 3.9Å; E1674-K1679 HydrophobicContact CG-CG 3.92Å; I1677-K1679 HydrophobicContact CG2-CD 4.36Å; I1677-K1679 PolarHBondContact O-N 2.69Å; I1677-K1679 VanDerWaalsContact O-N 3.14Å; K1679-D1747 WeakPolarHBondContact CE-OD2 3.48Å; K1679-D1747 IonicContact NZ-OD2 3.83Å; K1679-D1747 PolarHBondContact NZ-OD2 2.59Å; K1679-T1782 HydrophobicContact CB-CG2 4.09Å; K1679-T1782 HydrophobicContact CD-CG2 3.87Å; K1679-T1782 WeakPolarHBondContact O-CG2 3.48Å
1680C93.3Very high90.5Very high1 Ų165.3 Ų65.31%0.00733%0.328CS..  trans-148.6141.1179.4-169.80000109.3A1645 M1668 T1670 L1672A1645-C1680 HydrophobicContact CB-CB 3.66Å; A1645-C1680 VanDerWaalsContact CB-SG 3.58Å; M1668-C1680 HydrophobicContact CE-CB 3.86Å; T1670-C1680 HydrophobicContact CG2-CB 4Å; L1672-C1680 HydrophobicContact CD2-CB 4.28Å; L1672-C1680 WeakPolarHBondContact CD2-O 3.42Å; L1672-C1680 PolarHBondContact O-N 2.97Å
1681C91.8Very high90.5Very high16 Ų1667.5 Ų67.511%0.10834%0.343CS..  trans-77.5151.1163.471.10000108.8P1646 L1647 E1648 V1651 Y1683P1646-C1681 PolarHBondContact O-N 3.46Å; P1646-C1681 PolarHBondContact O-SG 2.77Å; L1647-C1681 VanDerWaalsContact C-SG 3.59Å; E1648-C1681 HydrophobicContact CG-CB 4.1Å; V1651-C1681 WeakPolarHBondContact CG2-SG 3.44Å; C1681-Y1683 PolarHBondContact O-N 2.82Å
1682Q93.9Very high90.6Very high70 Ų7066.2 Ų66.233%0.32734%0.34SS..  trans-70.3130.5169-177169.5-2300108.3L1672 W1684 N1686L1672-Q1682 HydrophobicContact CD1-CB 4.04Å; L1672-Q1682 HydrophobicContact CD2-CB 4Å; Q1682-W1684 HydrophobicContact CG-CD2 3.82Å; Q1682-W1684 HydrophobicContact CG-CE3 4.17Å; Q1682-W1684 HydrophobicContact CG-CG 4.27Å; Q1682-W1684 HydrophobicContact CG-CH2 4.32Å; Q1682-W1684 HydrophobicContact CG-CZ2 3.96Å; Q1682-W1684 HydrophobicContact CG-CZ3 4.4Å; Q1682-W1684 WeakPolarHBondContact CG-O 3.27Å; Q1682-W1684 PolarHBondContact NE2-O 3.3Å; Q1682-N1686 PolarHBondContact NE2-OD1 2.86Å
1683Y95.1Very high90.6Very high0 Ų068.1 Ų68.10%035%0.353CS..  trans-120.412.7-178.158.2-95.1000112.1P1646 F1654 W1655 I1666 M1668 C1681 F1694 Q1739 H1780P1646-Y1683 HydrophobicContact CG-CD1 3.4Å; P1646-Y1683 VanDerWaalsContact CG-CD1 3.4Å; P1646-Y1683 HydrophobicContact CG-CE1 4.01Å; P1646-Y1683 HydrophobicContact CG-CG 3.94Å; F1654-Y1683 HydrophobicContact CD1-CD2 4.16Å; F1654-Y1683 HydrophobicContact CD1-CE2 4.38Å; F1654-Y1683 HydrophobicContact CD1-CG 4.44Å; F1654-Y1683 AromaticContact CE1-CD2 3.83Å; F1654-Y1683 HydrophobicContact CE1-CD2 3.83Å; F1654-Y1683 HydrophobicContact CE1-CE1 4.29Å; F1654-Y1683 AromaticContact CE1-CE2 3.61Å; F1654-Y1683 HydrophobicContact CE1-CE2 3.61Å; F1654-Y1683 HydrophobicContact CE1-CG 4.29Å; F1654-Y1683 AromaticContact CE1-CZ 3.84Å; F1654-Y1683 HydrophobicContact CZ-CE2 4.41Å; W1655-Y1683 AromaticContact CE2-CD2 3.86Å; W1655-Y1683 HydrophobicContact CH2-CD2 4.16Å; W1655-Y1683 HydrophobicContact CH2-CE2 4.23Å; W1655-Y1683 AromaticContact CZ2-CD2 3.51Å; W1655-Y1683 HydrophobicContact CZ2-CD2 3.51Å; W1655-Y1683 HydrophobicContact CZ2-CE2 4.02Å; W1655-Y1683 WeakPolarHBondContact CZ2-O 3.4Å; W1655-Y1683 PolarHBondContact NE1-O 3.02Å; I1666-Y1683 HydrophobicContact CD1-CE2 4.24Å; M1668-Y1683 HydrophobicContact SD-CE1 4Å; C1681-Y1683 PolarHBondContact O-N 2.82Å; Y1683-F1694 WeakPolarHBondContact O-CE2 3.18Å; Y1683-Q1739 VanDerWaalsContact CZ-NE2 3.34Å; Y1683-Q1739 PolarHBondContact OH-NE2 3.16Å; Y1683-H1780 AromaticContact CE1-CE1 3.82Å; Y1683-H1780 AromaticContact CE1-NE2 3.65Å; Y1683-H1780 AromaticContact CZ-NE2 3.64Å; Y1683-H1780 PolarHBondContact OH-NE2 3.04Å
1684W95.7Very high90.6Very high9 Ų962.7 Ų62.73%0.03433%0.332CS..SBendtrans-131.8158.5-179.962.691.3000110.7M1668 L1672 Q1682 R1717 L1719M1668-W1684 HydrophobicContact CE-CH2 3.75Å; M1668-W1684 HydrophobicContact CE-CZ3 4.01Å; M1668-W1684 HydrophobicContact SD-CH2 3.63Å; M1668-W1684 HydrophobicContact SD-CZ3 3.56Å; M1668-W1684 VanDerWaalsContact SD-CZ3 3.56Å; L1672-W1684 HydrophobicContact CD2-CH2 3.73Å; L1672-W1684 HydrophobicContact CD2-CZ2 4.43Å; L1672-W1684 HydrophobicContact CD2-CZ3 4.35Å; L1672-W1684 HydrophobicContact CG-CH2 4.29Å; Q1682-W1684 HydrophobicContact CG-CD2 3.82Å; Q1682-W1684 HydrophobicContact CG-CE3 4.17Å; Q1682-W1684 HydrophobicContact CG-CG 4.27Å; Q1682-W1684 HydrophobicContact CG-CH2 4.32Å; Q1682-W1684 HydrophobicContact CG-CZ2 3.96Å; Q1682-W1684 HydrophobicContact CG-CZ3 4.4Å; Q1682-W1684 WeakPolarHBondContact CG-O 3.27Å; Q1682-W1684 PolarHBondContact NE2-O 3.3Å; W1684-R1717 VanDerWaalsContact CE2-NH1 3.34Å; W1684-R1717 VanDerWaalsContact NE1-CZ 3.26Å; W1684-L1719 HydrophobicContact CB-CD1 4.39Å; W1684-L1719 HydrophobicContact CB-CD2 3.99Å
1685P95.2Very high90.7Very high0 Ų067.7 Ų67.70%036%0.356CS..  trans-64.4157.1176.8-18.832.2000113.6E1690 L1692 V1703 L1705P1685-E1690 HydrophobicContact CB-CB 3.83Å; P1685-E1690 HydrophobicContact CB-CG 4.02Å; P1685-E1690 WeakPolarHBondContact CB-O 3.21Å; P1685-E1690 VanDerWaalsContact CG-O 3.3Å; P1685-E1690 WeakPolarHBondContact CG-O 3.44Å; P1685-L1692 HydrophobicContact CB-CD1 4.24Å; P1685-L1692 HydrophobicContact CB-CG 4.11Å; P1685-L1692 HydrophobicContact CG-CB 4.21Å; P1685-L1692 HydrophobicContact CG-CD1 4.34Å; P1685-L1692 HydrophobicContact CG-CG 4.09Å; P1685-V1703 WeakPolarHBondContact CG-O 3.11Å; P1685-L1705 HydrophobicContact CB-CB 4.19Å; P1685-L1705 HydrophobicContact CG-CB 4.31Å
1686N89.8Confident90.8Very high105 Ų10560.7 Ų60.756%0.56132%0.318SS*.SBendtrans-80.7-44.6179.1-75.3-41.1000111.7Q1682 E1690Q1682-N1686 PolarHBondContact NE2-OD1 2.86Å; N1686-E1690 PolarHBondContact N-OE2 3.38Å
1687D91Very high90.7Very high110 Ų11055.7 Ų55.759%0.58829%0.292SS*.SBendtrans-103.3146-170.2-64.4-51.8000111.9H1689 E1690D1687-H1689 PolarHBondContact O-N 2.86Å; D1687-E1690 HydrophobicContact CB-CB 4.05Å; D1687-E1690 PolarHBondContact N-OE2 3.02Å; D1687-E1690 WeakPolarHBondContact O-CB 3.46Å; D1687-E1690 PolarHBondContact O-N 3.1Å
1688I91.8Very high90.4Very high89 Ų8957 Ų5746%0.45629%0.291SS..THydrogen-bonded Turntrans-61.5134174.5-58.7175.2000108.6E1690 L1705 L1706I1688-E1690 PolarHBondContact O-N 3.02Å; I1688-L1705 HydrophobicContact CG1-CD2 4.25Å; I1688-L1705 HydrophobicContact CG1-CG 4.43Å; I1688-L1706 WeakPolarHBondContact CG2-O 2.89Å
1689H90.4Very high90.1Very high138 Ų13855.1 Ų55.164%0.63928%0.276SS*.THydrogen-bonded Turntrans68.52.8-171.4-50.1-56.1000115.8D1687 L1705D1687-H1689 PolarHBondContact O-N 2.86Å; H1689-L1705 VanDerWaalsContact CA-O 3.25Å; H1689-L1705 WeakPolarHBondContact CA-O 2.95Å; H1689-L1705 PolarHBondContact N-O 3.26Å
1690E92.5Very high89.9Confident62 Ų6258.1 Ų58.129%0.2929%0.289SS..  trans-71.2140167-170.4-170.8-172.900110P1685 N1686 D1687 I1688 T1704 L1705P1685-E1690 HydrophobicContact CB-CB 3.83Å; P1685-E1690 HydrophobicContact CB-CG 4.02Å; P1685-E1690 WeakPolarHBondContact CB-O 3.21Å; P1685-E1690 VanDerWaalsContact CG-O 3.3Å; P1685-E1690 WeakPolarHBondContact CG-O 3.44Å; N1686-E1690 PolarHBondContact N-OE2 3.38Å; D1687-E1690 HydrophobicContact CB-CB 4.05Å; D1687-E1690 PolarHBondContact N-OE2 3.02Å; D1687-E1690 WeakPolarHBondContact O-CB 3.46Å; D1687-E1690 PolarHBondContact O-N 3.1Å; I1688-E1690 PolarHBondContact O-N 3.02Å; E1690-T1704 VanDerWaalsContact O-CA 3.29Å; E1690-T1704 WeakPolarHBondContact O-CA 3.47Å; E1690-L1705 PolarHBondContact O-N 3.02Å
1691S92.2Very high89.7Confident45 Ų4558.1 Ų58.132%0.31529%0.289SS..EExtended strand (participates in β ladder)trans-113.7128.8173.5-73.70000110.5E1702 V1703 T1704S1691-E1702 WeakPolarHBondContact CB-OE1 3.45Å; S1691-E1702 PolarHBondContact OG-OE1 3.29Å; S1691-V1703 CarbonylContact C-O 3.51Å; S1691-V1703 VanDerWaalsContact CA-O 3.32Å; S1691-V1703 WeakPolarHBondContact CA-O 3.41Å; S1691-T1704 PolarHBondContact OG-OG1 2.87Å
1692L92.5Very high89.8Confident60 Ų6060.2 Ų60.231%0.31430%0.298SS..EExtended strand (participates in β ladder)trans-110.4137.2169.3-72.2178.4000110.3P1685 F1694 E1702 V1703P1685-L1692 HydrophobicContact CB-CD1 4.24Å; P1685-L1692 HydrophobicContact CB-CG 4.11Å; P1685-L1692 HydrophobicContact CG-CB 4.21Å; P1685-L1692 HydrophobicContact CG-CD1 4.34Å; P1685-L1692 HydrophobicContact CG-CG 4.09Å; L1692-F1694 HydrophobicContact CB-CE1 4.42Å; L1692-F1694 HydrophobicContact CB-CE2 3.79Å; L1692-F1694 HydrophobicContact CB-CZ 3.66Å; L1692-F1694 HydrophobicContact CD1-CZ 3.96Å; L1692-F1694 HydrophobicContact CG-CZ 4.49Å; L1692-E1702 WeakPolarHBondContact O-CA 3.42Å; L1692-V1703 PolarHBondContact N-O 3.11Å; L1692-V1703 PolarHBondContact O-N 3.07Å
1693T91.5Very high89.9Confident75 Ų7556.9 Ų56.946%0.4628%0.282SS..EExtended strand (participates in β ladder)trans-97.8126.9176-56.20000110.7K1700 L1701 I1724T1693-K1700 HydrophobicContact CG2-CB 4.16Å; T1693-K1700 HydrophobicContact CG2-CD 4.22Å; T1693-K1700 HydrophobicContact CG2-CG 4.36Å; T1693-L1701 CarbonylContact C-O 3.57Å; T1693-L1701 WeakPolarHBondContact CA-O 3.48Å; T1693-I1724 HydrophobicContact CG2-CD1 3.68Å
1694F91.8Very high89.9Confident35 Ų3557.8 Ų57.815%0.15429%0.287CS..EExtended strand (participates in β ladder)trans-117.7149.9174.5-54.6-73.2000110.3V1651 W1655 Y1683 L1692 L1701 V1703V1651-F1694 HydrophobicContact CB-CD1 4.11Å; V1651-F1694 HydrophobicContact CG1-CB 4.27Å; V1651-F1694 HydrophobicContact CG1-CD1 3.36Å; V1651-F1694 HydrophobicContact CG1-CD2 4.16Å; V1651-F1694 HydrophobicContact CG1-CE1 3.59Å; V1651-F1694 HydrophobicContact CG1-CE2 4.35Å; V1651-F1694 HydrophobicContact CG1-CG 3.66Å; V1651-F1694 HydrophobicContact CG1-CZ 4.09Å; W1655-F1694 AromaticContact CD1-CD2 3.49Å; W1655-F1694 VanDerWaalsContact CD1-CD2 3.49Å; W1655-F1694 AromaticContact CD1-CE2 3.96Å; W1655-F1694 AromaticContact NE1-CD2 3.64Å; W1655-F1694 AromaticContact NE1-CE2 3.59Å; Y1683-F1694 WeakPolarHBondContact O-CE2 3.18Å; L1692-F1694 HydrophobicContact CB-CE1 4.42Å; L1692-F1694 HydrophobicContact CB-CE2 3.79Å; L1692-F1694 HydrophobicContact CB-CZ 3.66Å; L1692-F1694 HydrophobicContact CD1-CZ 3.96Å; L1692-F1694 HydrophobicContact CG-CZ 4.49Å; F1694-L1701 PolarHBondContact N-O 2.83Å; F1694-L1701 PolarHBondContact O-N 2.71Å; F1694-V1703 HydrophobicContact CD2-CB 4.31Å; F1694-V1703 HydrophobicContact CD2-CG2 3.71Å; F1694-V1703 HydrophobicContact CE2-CB 4.01Å; F1694-V1703 HydrophobicContact CE2-CG2 3.88Å
1695Q86.2Confident89.9Confident120 Ų12057.4 Ų57.456%0.56129%0.286SS*.EExtended strand (participates in β ladder)trans-122.3131.2-176.1-174.1165.2-21.600111.2G1652 D1697 L1699 K1700G1652-Q1695 WeakPolarHBondContact CA-O 3.31Å; Q1695-D1697 WeakPolarHBondContact CG-O 3.33Å; Q1695-D1697 PolarHBondContact NE2-O 3.5Å; Q1695-L1699 WeakPolarHBondContact CA-O 3.11Å; Q1695-K1700 HydrophobicContact CG-CG 4.48Å
1696S86.3Confident90Very high1 Ų159.8 Ų59.81%0.00730%0.299CS..EExtended strand (participates in β ladder)trans-122.7108.7168.9175.10000108.1L1603 D1653 R1656 Y1698 L1699L1603-S1696 WeakPolarHBondContact CD1-O 3.1Å; D1653-S1696 WeakPolarHBondContact OD1-CB 3.12Å; D1653-S1696 PolarHBondContact OD1-OG 2.6Å; R1656-S1696 WeakPolarHBondContact CD-OG 3.35Å; R1656-S1696 PolarHBondContact NH1-OG 3.03Å; S1696-Y1698 PolarHBondContact O-N 2.91Å; S1696-L1699 PolarHBondContact N-O 3.28Å; S1696-L1699 WeakPolarHBondContact O-CB 2.76Å; S1696-L1699 PolarHBondContact O-N 2.88Å
1697D80.9Confident90.2Very high58 Ų5856.3 Ų56.331%0.3128%0.283SS..THydrogen-bonded Turntrans47.9-108.6-169-63.8-43000112.4L1603 H1610 R1656 Q1695L1603-D1697 HydrophobicContact CD1-CB 4.03Å; H1610-D1697 WeakPolarHBondContact CB-OD2 3.45Å; H1610-D1697 IonicContact CG-OD1 3.69Å; H1610-D1697 IonicContact CG-OD2 2.93Å; H1610-D1697 IonicContact ND1-OD1 2.64Å; R1656-D1697 IonicContact NH1-OD2 3.14Å; R1656-D1697 PolarHBondContact NH1-OD2 3.22Å; Q1695-D1697 WeakPolarHBondContact CG-O 3.33Å; Q1695-D1697 PolarHBondContact NE2-O 3.5Å
1698Y77.9Confident90.4Very high128 Ų12855.2 Ų55.250%0.50227%0.274SS..THydrogen-bonded Turntrans-95-9.9-178.9-54.7-76.2000113.4Q1604 S1696Q1604-Y1698 HydrophobicContact CG-CD2 4.44Å; S1696-Y1698 PolarHBondContact O-N 2.91Å
1699L81.3Confident90.5Very high16 Ų1655.3 Ų55.38%0.08427%0.272CS..EExtended strand (participates in β ladder)trans-89.2119.4-178.1-17268000109.8L1603 R1656 Q1695 S1696 L1701L1603-L1699 HydrophobicContact CD1-CB 3.71Å; L1603-L1699 HydrophobicContact CD2-CB 3.94Å; L1603-L1699 HydrophobicContact CD2-CD1 4.41Å; L1603-L1699 HydrophobicContact CD2-CD2 4.12Å; L1603-L1699 HydrophobicContact CD2-CG 4.39Å; L1603-L1699 HydrophobicContact CG-CB 4.5Å; R1656-L1699 HydrophobicContact CB-CD2 4.49Å; R1656-L1699 HydrophobicContact CG-CD2 4.08Å; Q1695-L1699 WeakPolarHBondContact CA-O 3.11Å; S1696-L1699 PolarHBondContact N-O 3.28Å; S1696-L1699 WeakPolarHBondContact O-CB 2.76Å; S1696-L1699 PolarHBondContact O-N 2.88Å; L1699-L1701 HydrophobicContact CD1-CD2 4.49Å; L1699-L1701 HydrophobicContact CD2-CD1 4.26Å; L1699-L1701 HydrophobicContact CD2-CD2 3.73Å; L1699-L1701 HydrophobicContact CD2-CG 4.08Å; L1699-L1701 HydrophobicContact CG-CD2 3.86Å; L1699-L1701 HydrophobicContact CG-CG 4.11Å
1700K86.9Confident90.5Very high83 Ų8354.2 Ų54.236%0.36127%0.271SS..EExtended strand (participates in β ladder)trans-93.8130166.1-73.1-170.8-179.7-177.10109.5T1693 Q1695 I1724 N1725T1693-K1700 HydrophobicContact CG2-CB 4.16Å; T1693-K1700 HydrophobicContact CG2-CD 4.22Å; T1693-K1700 HydrophobicContact CG2-CG 4.36Å; Q1695-K1700 HydrophobicContact CG-CG 4.48Å; K1700-I1724 HydrophobicContact CB-CB 4.44Å; K1700-I1724 HydrophobicContact CB-CD1 3.88Å; K1700-I1724 HydrophobicContact CB-CG1 4.1Å; K1700-I1724 PolarHBondContact O-N 3.3Å; K1700-N1725 WeakPolarHBondContact CG-ND2 3.39Å
1701L90.2Very high90.3Very high0 Ų054.9 Ų54.90%027%0.274CS..EExtended strand (participates in β ladder)trans-118.9121.1-179.9-63.9177000108.3W1655 R1656 L1659 T1693 F1694 L1699 T1722W1655-L1701 HydrophobicContact CB-CD1 3.67Å; R1656-L1701 HydrophobicContact CB-CD1 3.98Å; R1656-L1701 VanDerWaalsContact N-CD1 3.29Å; L1659-L1701 HydrophobicContact CD1-CD1 4.27Å; L1659-L1701 HydrophobicContact CD1-CD2 3.29Å; L1659-L1701 HydrophobicContact CD1-CG 4.39Å; T1693-L1701 CarbonylContact C-O 3.57Å; T1693-L1701 WeakPolarHBondContact CA-O 3.48Å; F1694-L1701 PolarHBondContact N-O 2.83Å; F1694-L1701 PolarHBondContact O-N 2.71Å; L1699-L1701 HydrophobicContact CD1-CD2 4.49Å; L1699-L1701 HydrophobicContact CD2-CD1 4.26Å; L1699-L1701 HydrophobicContact CD2-CD2 3.73Å; L1699-L1701 HydrophobicContact CD2-CG 4.08Å; L1699-L1701 HydrophobicContact CG-CD2 3.86Å; L1699-L1701 HydrophobicContact CG-CG 4.11Å; L1701-T1722 WeakPolarHBondContact CA-O 3.43Å
1702E92.5Very high89.7Confident61 Ų6161.1 Ų61.129%0.28530%0.298SS..EExtended strand (participates in β ladder)trans-94.9131.7171-177176.7-139.600108.8S1691 L1692 I1721 T1722 I1724S1691-E1702 WeakPolarHBondContact CB-OE1 3.45Å; S1691-E1702 PolarHBondContact OG-OE1 3.29Å; L1692-E1702 WeakPolarHBondContact O-CA 3.42Å; E1702-I1721 CarbonylContact O-C 3.46Å; E1702-I1721 VanDerWaalsContact O-CA 3.26Å; E1702-I1721 WeakPolarHBondContact O-CA 3.45Å; E1702-T1722 HydrophobicContact CB-CG2 3.82Å; E1702-T1722 HydrophobicContact CG-CG2 4.44Å; E1702-T1722 PolarHBondContact N-O 2.81Å; E1702-T1722 PolarHBondContact O-N 3.04Å; E1702-I1724 HydrophobicContact CB-CD1 3.85Å; E1702-I1724 HydrophobicContact CB-CG1 3.95Å
1703V95.4Very high89.5Confident0 Ų059.2 Ų59.20%029%0.288CS..EExtended strand (participates in β ladder)trans-123119179.5-176.10000108.2W1655 P1685 S1691 L1692 F1694 L1719 Y1720 I1721W1655-V1703 HydrophobicContact CD2-CG2 3.88Å; W1655-V1703 HydrophobicContact CG-CG2 3.97Å; W1655-V1703 HydrophobicContact CH2-CG1 4.02Å; W1655-V1703 HydrophobicContact CZ2-CB 4.47Å; W1655-V1703 HydrophobicContact CZ2-CG1 3.61Å; W1655-V1703 HydrophobicContact CZ2-CG2 4.21Å; P1685-V1703 WeakPolarHBondContact CG-O 3.11Å; S1691-V1703 CarbonylContact C-O 3.51Å; S1691-V1703 VanDerWaalsContact CA-O 3.32Å; S1691-V1703 WeakPolarHBondContact CA-O 3.41Å; L1692-V1703 PolarHBondContact N-O 3.11Å; L1692-V1703 PolarHBondContact O-N 3.07Å; F1694-V1703 HydrophobicContact CD2-CB 4.31Å; F1694-V1703 HydrophobicContact CD2-CG2 3.71Å; F1694-V1703 HydrophobicContact CE2-CB 4.01Å; F1694-V1703 HydrophobicContact CE2-CG2 3.88Å; V1703-L1719 HydrophobicContact CG1-CB 4.49Å; V1703-L1719 HydrophobicContact CG1-CD2 4.38Å; V1703-Y1720 CarbonylContact C-O 3.48Å; V1703-Y1720 WeakPolarHBondContact CA-O 3.38Å; V1703-I1721 HydrophobicContact CG1-CG1 4.34Å; V1703-I1721 HydrophobicContact CG2-CG1 4.14Å; V1703-I1721 HydrophobicContact CG2-CG2 4.45Å
1704T95.3Very high89.6Confident19 Ų1956 Ų5612%0.11727%0.267CS..EExtended strand (participates in β ladder)trans-108.2133.4-178.9-46.40000110.4E1690 S1691 L1706 L1719 Y1720E1690-T1704 VanDerWaalsContact O-CA 3.29Å; E1690-T1704 WeakPolarHBondContact O-CA 3.47Å; S1691-T1704 PolarHBondContact OG-OG1 2.87Å; T1704-L1706 HydrophobicContact CG2-CD2 4.19Å; T1704-L1719 CarbonylContact O-C 3.57Å; T1704-L1719 VanDerWaalsContact O-CA 3.28Å; T1704-L1719 WeakPolarHBondContact O-CA 3.31Å; T1704-Y1720 PolarHBondContact N-O 2.83Å; T1704-Y1720 PolarHBondContact O-N 3.49Å
1705L96.8Very high89.7Confident1 Ų155.4 Ų55.41%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-81.2125.8168.6-178.461000109.6P1685 I1688 H1689 E1690 R1717 L1719P1685-L1705 HydrophobicContact CB-CB 4.19Å; P1685-L1705 HydrophobicContact CG-CB 4.31Å; I1688-L1705 HydrophobicContact CG1-CD2 4.25Å; I1688-L1705 HydrophobicContact CG1-CG 4.43Å; H1689-L1705 VanDerWaalsContact CA-O 3.25Å; H1689-L1705 WeakPolarHBondContact CA-O 2.95Å; H1689-L1705 PolarHBondContact N-O 3.26Å; E1690-L1705 PolarHBondContact O-N 3.02Å; L1705-R1717 HydrophobicContact CD1-CB 3.9Å; L1705-R1717 HydrophobicContact CD1-CG 4.11Å; L1705-L1719 HydrophobicContact CB-CD2 4.27Å; L1705-L1719 HydrophobicContact CD1-CD2 3.67Å
1706L96Very high90.2Very high50 Ų5051 Ų5126%0.26225%0.246SC..EExtended strand (participates in β ladder)trans-105-37-178.2-63.4-177.4000113.3I1688 T1704 K1718 Y1736I1688-L1706 WeakPolarHBondContact CG2-O 2.89Å; T1704-L1706 HydrophobicContact CG2-CD2 4.19Å; L1706-K1718 HydrophobicContact CB-CB 4.13Å; L1706-K1718 WeakPolarHBondContact CB-O 3.29Å; L1706-K1718 PolarHBondContact N-O 2.93Å; L1706-Y1736 HydrophobicContact CD1-CD1 3.62Å; L1706-Y1736 HydrophobicContact CD1-CE1 3.39Å
1707S95.6Very high90.7Very high32 Ų3251.6 Ų51.622%0.22425%0.248CC..EExtended strand (participates in β ladder)trans-156.4152.3173.270.20000110.2R1717 K1718S1707-R1717 CarbonylContact O-C 3.27Å; S1707-R1717 VanDerWaalsContact O-CA 3.28Å; S1707-R1717 WeakPolarHBondContact O-CA 3.39Å; S1707-K1718 PolarHBondContact N-O 3.19Å; S1707-K1718 PolarHBondContact O-N 2.83Å
1708E95.1Very high91.5Very high86 Ų8653.4 Ų53.440%0.40225%0.253SS..EExtended strand (participates in β ladder)trans-132.9128.2171.7-176.617494.800108.4I1715 L1716 R1717E1708-I1715 HydrophobicContact CG-CG2 3.48Å; E1708-I1715 VanDerWaalsContact CG-CG2 3.48Å; E1708-L1716 CarbonylContact C-O 3.58Å; E1708-L1716 WeakPolarHBondContact CA-O 3.5Å; E1708-R1717 HydrophobicContact CB-CG 4.39Å; E1708-R1717 HydrophobicContact CG-CG 4.09Å; E1708-R1717 IonicContact OE2-CZ 3.19Å; E1708-R1717 IonicContact OE2-NE 3.13Å; E1708-R1717 PolarHBondContact OE2-NE 3.45Å; E1708-R1717 IonicContact OE2-NH2 4Å; E1708-R1717 PolarHBondContact OE2-NH2 2.98Å
1709E93.6Very high92.4Very high91 Ų9147.3 Ų47.343%0.42523%0.229SC..EExtended strand (participates in β ladder)trans-124.6125.8177.4-59.3170.7-158.800109.3H1711 I1715 L1716E1709-H1711 IonicContact OE2-CE1 2.77Å; E1709-H1711 IonicContact OE2-NE2 3.81Å; E1709-H1711 PolarHBondContact OE2-NE2 3.1Å; E1709-I1715 CarbonylContact O-C 3.59Å; E1709-I1715 WeakPolarHBondContact O-CA 3.31Å; E1709-L1716 HydrophobicContact CB-CB 4.27Å; E1709-L1716 PolarHBondContact N-O 2.8Å; E1709-L1716 PolarHBondContact O-N 2.84Å
1710D90.8Very high93Very high116 Ų11649.5 Ų49.562%0.6224%0.237SC*.EExtended strand (participates in β ladder)trans-93.2111.8175.9-171.7-14.4000110.4H1712D1710-H1712 WeakPolarHBondContact OD1-CA 3.3Å; D1710-H1712 PolarHBondContact OD1-N 2.91Å
1711H86.6Confident93.2Very high75 Ų7545.5 Ų45.535%0.34722%0.219SC..  trans-10027-180-71-96.6000112.2E1709 I1713 Y1714E1709-H1711 IonicContact OE2-CE1 2.77Å; E1709-H1711 IonicContact OE2-NE2 3.81Å; E1709-H1711 PolarHBondContact OE2-NE2 3.1Å; H1711-I1713 WeakPolarHBondContact O-CG1 3.3Å; H1711-I1713 PolarHBondContact O-N 3.26Å; H1711-Y1714 WeakPolarHBondContact CA-O 3.46Å; H1711-Y1714 HydrophobicContact CB-CD1 4.49Å; H1711-Y1714 HydrophobicContact CB-CD2 4.14Å; H1711-Y1714 HydrophobicContact CB-CE1 4.13Å; H1711-Y1714 HydrophobicContact CB-CE2 3.73Å; H1711-Y1714 HydrophobicContact CB-CG 4.48Å; H1711-Y1714 WeakPolarHBondContact CB-O 2.85Å; H1711-Y1714 AromaticContact CD2-CE2 3.73Å; H1711-Y1714 AromaticContact CG-CE2 3.75Å; H1711-Y1714 AromaticContact CG-CZ 3.82Å; H1711-Y1714 PolarHBondContact N-O 2.96Å
1712H80.7Confident93.1Very high177 Ų17747.1 Ų47.182%0.81923%0.229SC*.SBendtrans66.2-48.5-177.6-98.153.4000115.6D1710D1710-H1712 WeakPolarHBondContact OD1-CA 3.3Å; D1710-H1712 PolarHBondContact OD1-N 2.91Å
1713I88.2Confident92.7Very high20 Ų2044.9 Ų44.910%0.10322%0.22CC..SBendtrans-94.5-29-177.552.3156.8000112.5H1711 M1743 E1755 T1758 L1759H1711-I1713 WeakPolarHBondContact O-CG1 3.3Å; H1711-I1713 PolarHBondContact O-N 3.26Å; I1713-M1743 PolarHBondContact O-N 3.22Å; I1713-E1755 HydrophobicContact CB-CB 4.47Å; I1713-E1755 WeakPolarHBondContact CD1-O 3.16Å; I1713-E1755 HydrophobicContact CG2-CB 3.78Å; I1713-E1755 HydrophobicContact CG2-CG 3.71Å; I1713-T1758 HydrophobicContact CD1-CG2 3.73Å; I1713-L1759 HydrophobicContact CD1-CB 4.17Å
1714Y93.4Very high91.9Very high6 Ų648.6 Ų48.62%0.02424%0.239CC..EExtended strand (participates in β ladder)trans-143.9156.8175.667-99.8000110.1H1711 L1716 F1740 H1741 L1759 D1762H1711-Y1714 WeakPolarHBondContact CA-O 3.46Å; H1711-Y1714 HydrophobicContact CB-CD1 4.49Å; H1711-Y1714 HydrophobicContact CB-CD2 4.14Å; H1711-Y1714 HydrophobicContact CB-CE1 4.13Å; H1711-Y1714 HydrophobicContact CB-CE2 3.73Å; H1711-Y1714 HydrophobicContact CB-CG 4.48Å; H1711-Y1714 WeakPolarHBondContact CB-O 2.85Å; H1711-Y1714 AromaticContact CD2-CE2 3.73Å; H1711-Y1714 AromaticContact CG-CE2 3.75Å; H1711-Y1714 AromaticContact CG-CZ 3.82Å; H1711-Y1714 PolarHBondContact N-O 2.96Å; Y1714-L1716 HydrophobicContact CD2-CB 4.43Å; Y1714-L1716 HydrophobicContact CE2-CB 4.1Å; Y1714-L1716 HydrophobicContact CE2-CD1 4.31Å; Y1714-F1740 HydrophobicContact CD1-CD1 4.43Å; Y1714-F1740 AromaticContact CD2-CD1 3.58Å; Y1714-F1740 HydrophobicContact CD2-CD1 3.58Å; Y1714-F1740 HydrophobicContact CD2-CE1 4.16Å; Y1714-F1740 HydrophobicContact CE1-CD1 4.35Å; Y1714-F1740 HydrophobicContact CE1-CE1 4.36Å; Y1714-F1740 AromaticContact CE2-CD1 3.49Å; Y1714-F1740 HydrophobicContact CE2-CD1 3.49Å; Y1714-F1740 VanDerWaalsContact CE2-CD1 3.49Å; Y1714-F1740 AromaticContact CE2-CE1 3.57Å; Y1714-F1740 HydrophobicContact CE2-CE1 3.57Å; Y1714-F1740 HydrophobicContact CG-CD1 4.1Å; Y1714-F1740 AromaticContact CZ-CD1 3.91Å; Y1714-F1740 AromaticContact CZ-CE1 3.7Å; Y1714-H1741 CarbonylContact C-O 3.54Å; Y1714-H1741 WeakPolarHBondContact CA-O 3.26Å; Y1714-H1741 WeakPolarHBondContact CB-O 3.15Å; Y1714-L1759 HydrophobicContact CD1-CB 4.14Å; Y1714-L1759 HydrophobicContact CD1-CD1 3.45Å; Y1714-L1759 VanDerWaalsContact CD1-CD1 3.45Å; Y1714-L1759 HydrophobicContact CD1-CG 4.4Å; Y1714-L1759 HydrophobicContact CE1-CB 4.5Å; Y1714-L1759 HydrophobicContact CE1-CD1 3.98Å; Y1714-L1759 HydrophobicContact CG-CD1 3.83Å; Y1714-D1762 HydrophobicContact CE1-CB 4.37Å; Y1714-D1762 VanDerWaalsContact OH-CB 3.23Å; Y1714-D1762 WeakPolarHBondContact OH-CB 3.34Å; Y1714-D1762 PolarHBondContact OH-OD2 3.39Å
1715I95Very high90.7Very high24 Ų2452 Ų5212%0.12326%0.257CS..EExtended strand (participates in β ladder)trans-102.1131.3170.8-59169.8000107.7E1708 E1709 R1717 H1741 M1743E1708-I1715 HydrophobicContact CG-CG2 3.48Å; E1708-I1715 VanDerWaalsContact CG-CG2 3.48Å; E1709-I1715 CarbonylContact O-C 3.59Å; E1709-I1715 WeakPolarHBondContact O-CA 3.31Å; I1715-R1717 HydrophobicContact CG2-CG 4.27Å; I1715-H1741 HydrophobicContact CB-CB 4.37Å; I1715-H1741 PolarHBondContact N-O 3.06Å; I1715-H1741 PolarHBondContact O-N 2.88Å; I1715-M1743 HydrophobicContact CD1-CG 4.12Å; I1715-M1743 HydrophobicContact CG1-CG 4.4Å
1716L96.3Very high88.9Confident27 Ų2758.5 Ų58.514%0.14128%0.282CS..EExtended strand (participates in β ladder)trans-103.1119.3176.1-166.773.1000109.6E1708 E1709 Y1714 V1738 Q1739 F1740E1708-L1716 CarbonylContact C-O 3.58Å; E1708-L1716 WeakPolarHBondContact CA-O 3.5Å; E1709-L1716 HydrophobicContact CB-CB 4.27Å; E1709-L1716 PolarHBondContact N-O 2.8Å; E1709-L1716 PolarHBondContact O-N 2.84Å; Y1714-L1716 HydrophobicContact CD2-CB 4.43Å; Y1714-L1716 HydrophobicContact CE2-CB 4.1Å; Y1714-L1716 HydrophobicContact CE2-CD1 4.31Å; L1716-V1738 HydrophobicContact CD1-CG1 3.42Å; L1716-V1738 VanDerWaalsContact CD1-CG1 3.42Å; L1716-V1738 HydrophobicContact CG-CG1 3.95Å; L1716-Q1739 CarbonylContact C-O 3.59Å; L1716-Q1739 WeakPolarHBondContact CA-O 3.49Å; L1716-F1740 HydrophobicContact CD1-CD1 3.72Å; L1716-F1740 HydrophobicContact CD1-CD2 3.73Å; L1716-F1740 HydrophobicContact CD1-CE1 3.56Å; L1716-F1740 HydrophobicContact CD1-CE2 3.57Å; L1716-F1740 HydrophobicContact CD1-CG 3.81Å; L1716-F1740 HydrophobicContact CD1-CZ 3.48Å; L1716-F1740 VanDerWaalsContact CD1-CZ 3.48Å
1717R97.2Very high86.6Confident14 Ų1465.9 Ų65.95%0.05332%0.315CS..EExtended strand (participates in β ladder)trans-112.5138174.1-59.2-173-17990.410.7111.4W1684 L1705 S1707 E1708 I1715 L1719 V1738 Q1739 H1741W1684-R1717 VanDerWaalsContact CE2-NH1 3.34Å; W1684-R1717 VanDerWaalsContact NE1-CZ 3.26Å; L1705-R1717 HydrophobicContact CD1-CB 3.9Å; L1705-R1717 HydrophobicContact CD1-CG 4.11Å; S1707-R1717 CarbonylContact O-C 3.27Å; S1707-R1717 VanDerWaalsContact O-CA 3.28Å; S1707-R1717 WeakPolarHBondContact O-CA 3.39Å; E1708-R1717 HydrophobicContact CB-CG 4.39Å; E1708-R1717 HydrophobicContact CG-CG 4.09Å; E1708-R1717 IonicContact OE2-CZ 3.19Å; E1708-R1717 IonicContact OE2-NE 3.13Å; E1708-R1717 PolarHBondContact OE2-NE 3.45Å; E1708-R1717 IonicContact OE2-NH2 4Å; E1708-R1717 PolarHBondContact OE2-NH2 2.98Å; I1715-R1717 HydrophobicContact CG2-CG 4.27Å; R1717-L1719 HydrophobicContact CB-CG 4.3Å; R1717-V1738 CarbonylContact O-C 3.38Å; R1717-V1738 WeakPolarHBondContact O-CA 3.47Å; R1717-Q1739 HydrophobicContact CB-CB 4.26Å; R1717-Q1739 PolarHBondContact N-O 2.88Å; R1717-Q1739 PolarHBondContact O-N 2.83Å; R1717-H1741 PolarHBondContact NH1-ND1 2.84Å
1718K96.2Very high84.3Confident95 Ų9567.3 Ų67.341%0.41333%0.325SS..EExtended strand (participates in β ladder)trans-97.5125.7158.8-91.5176.3175.3169.10109.2L1706 S1707 V1738L1706-K1718 HydrophobicContact CB-CB 4.13Å; L1706-K1718 WeakPolarHBondContact CB-O 3.29Å; L1706-K1718 PolarHBondContact N-O 2.93Å; S1707-K1718 PolarHBondContact N-O 3.19Å; S1707-K1718 PolarHBondContact O-N 2.83Å; K1718-V1738 HydrophobicContact CG-CG2 3.95Å
1719L96.9Very high82.1Confident0 Ų071.7 Ų71.70%035%0.351CS..EExtended strand (participates in β ladder)trans-118.9146.2-179.4-60.4161.5000108.2W1655 W1684 V1703 T1704 L1705 R1717 Y1736 V1737 Q1739W1655-L1719 HydrophobicContact CH2-CD1 3.72Å; W1655-L1719 HydrophobicContact CZ2-CD1 4.36Å; W1684-L1719 HydrophobicContact CB-CD1 4.39Å; W1684-L1719 HydrophobicContact CB-CD2 3.99Å; V1703-L1719 HydrophobicContact CG1-CB 4.49Å; V1703-L1719 HydrophobicContact CG1-CD2 4.38Å; T1704-L1719 CarbonylContact O-C 3.57Å; T1704-L1719 VanDerWaalsContact O-CA 3.28Å; T1704-L1719 WeakPolarHBondContact O-CA 3.31Å; L1705-L1719 HydrophobicContact CB-CD2 4.27Å; L1705-L1719 HydrophobicContact CD1-CD2 3.67Å; R1717-L1719 HydrophobicContact CB-CG 4.3Å; L1719-Y1736 CarbonylContact O-C 3.57Å; L1719-Y1736 WeakPolarHBondContact O-CA 3.39Å; L1719-V1737 HydrophobicContact CB-CB 4.46Å; L1719-V1737 PolarHBondContact N-O 2.85Å; L1719-V1737 PolarHBondContact O-N 3.13Å; L1719-Q1739 HydrophobicContact CD1-CB 4.12Å
1720Y93.6Very high80.3Confident62 Ų6270.7 Ų70.724%0.24335%0.349CS..EExtended strand (participates in β ladder)trans-120.5125.7171.5-176.4-108.5000109.1V1703 T1704 S1734 K1735 Y1736V1703-Y1720 CarbonylContact C-O 3.48Å; V1703-Y1720 WeakPolarHBondContact CA-O 3.38Å; T1704-Y1720 PolarHBondContact N-O 2.83Å; T1704-Y1720 PolarHBondContact O-N 3.49Å; Y1720-S1734 WeakPolarHBondContact OH-CB 3.34Å; Y1720-S1734 PolarHBondContact OH-OG 2.85Å; Y1720-S1734 VanDerWaalsContact OH-OG 3.1Å; Y1720-K1735 WeakPolarHBondContact CA-O 3.42Å; Y1720-Y1736 AromaticContact CD2-CD1 3.9Å; Y1720-Y1736 HydrophobicContact CD2-CD1 3.9Å; Y1720-Y1736 HydrophobicContact CD2-CD2 4.12Å; Y1720-Y1736 AromaticContact CD2-CE1 3.78Å; Y1720-Y1736 HydrophobicContact CD2-CE1 3.78Å; Y1720-Y1736 AromaticContact CD2-CE2 3.97Å; Y1720-Y1736 HydrophobicContact CD2-CE2 3.97Å; Y1720-Y1736 HydrophobicContact CD2-CG 4.08Å; Y1720-Y1736 AromaticContact CD2-CZ 3.8Å; Y1720-Y1736 HydrophobicContact CE2-CD2 4.25Å; Y1720-Y1736 HydrophobicContact CE2-CE1 4.42Å; Y1720-Y1736 AromaticContact CE2-CE2 3.88Å; Y1720-Y1736 HydrophobicContact CE2-CE2 3.88Å; Y1720-Y1736 AromaticContact CE2-CZ 3.97Å; Y1720-Y1736 HydrophobicContact CG-CE1 4.49Å
1721I92.6Very high78.6Confident0 Ų069.9 Ų69.90%035%0.35CS..EExtended strand (participates in β ladder)trans-108.9140178.5-55.9168.7000108.3W1655 I1658 L1659 E1702 V1703 S1734 K1735 V1737W1655-I1721 HydrophobicContact CD2-CD1 4.1Å; W1655-I1721 HydrophobicContact CE3-CD1 3.12Å; W1655-I1721 HydrophobicContact CE3-CG1 3.94Å; W1655-I1721 HydrophobicContact CH2-CD1 4.35Å; W1655-I1721 HydrophobicContact CZ3-CD1 3.3Å; W1655-I1721 HydrophobicContact CZ3-CG1 3.97Å; I1658-I1721 HydrophobicContact CG2-CD1 3.66Å; L1659-I1721 HydrophobicContact CD1-CG2 3.61Å; L1659-I1721 HydrophobicContact CD2-CG2 4.21Å; L1659-I1721 HydrophobicContact CG-CG2 3.92Å; E1702-I1721 CarbonylContact O-C 3.46Å; E1702-I1721 VanDerWaalsContact O-CA 3.26Å; E1702-I1721 WeakPolarHBondContact O-CA 3.45Å; V1703-I1721 HydrophobicContact CG1-CG1 4.34Å; V1703-I1721 HydrophobicContact CG2-CG1 4.14Å; V1703-I1721 HydrophobicContact CG2-CG2 4.45Å; I1721-S1734 CarbonylContact O-C 3.55Å; I1721-S1734 WeakPolarHBondContact O-CA 3.39Å; I1721-S1734 WeakPolarHBondContact O-CB 3.48Å; I1721-K1735 PolarHBondContact N-O 2.89Å; I1721-K1735 PolarHBondContact O-N 2.81Å; I1721-V1737 HydrophobicContact CD1-CG2 3.83Å; I1721-V1737 HydrophobicContact CG1-CG2 4.46Å
1722T88.1Confident77.3Confident34 Ų3473.9 Ų73.921%0.20937%0.369CS..EExtended strand (participates in β ladder)trans-139.6144.5169.2-171.80000111.9L1701 E1702L1701-T1722 WeakPolarHBondContact CA-O 3.43Å; E1702-T1722 HydrophobicContact CB-CG2 3.82Å; E1702-T1722 HydrophobicContact CG-CG2 4.44Å; E1702-T1722 PolarHBondContact N-O 2.81Å; E1702-T1722 PolarHBondContact O-N 3.04Å
1723S83.5Confident76.8Confident14 Ų1467.5 Ų67.510%0.09834%0.341CS..EExtended strand (participates in β ladder)trans-87.1122.4172.5137.30000110.3Y1726 N1733S1723-Y1726 WeakPolarHBondContact OG-CB 3.43Å; S1723-N1733 PolarHBondContact N-O 2.54Å
1724I78.9Confident76.5Confident78 Ų7868 Ų6840%0.435%0.347SS..SBendtrans-87.9-26.3-170.3-24.6173.8000113.2T1693 K1700 E1702T1693-I1724 HydrophobicContact CG2-CD1 3.68Å; K1700-I1724 HydrophobicContact CB-CB 4.44Å; K1700-I1724 HydrophobicContact CB-CD1 3.88Å; K1700-I1724 HydrophobicContact CB-CG1 4.1Å; K1700-I1724 PolarHBondContact O-N 3.3Å; E1702-I1724 HydrophobicContact CB-CD1 3.85Å; E1702-I1724 HydrophobicContact CB-CG1 3.95Å
1725N70Confident76.2Confident90 Ų9069.3 Ų69.348%0.48135%0.352SS..SBendtrans-114.67.1-165.6-61.4-1.2000114.7K1700K1700-N1725 WeakPolarHBondContact CG-ND2 3.39Å
1726Y57.9Low76Confident138 Ų13875 Ų7554%0.54137%0.373SS..SBendtrans-102.6117.7179.8-142.6-96.8000109.4S1723 S1728S1723-Y1726 WeakPolarHBondContact OG-CB 3.43Å; Y1726-S1728 PolarHBondContact O-N 3.48Å
1727Q48.1Very low75.9Confident204 Ų20473.8 Ų73.895%0.95337%0.367SS*.SBendtrans-69.244.6-167.1-75.3-172.5-29.100116.2
1728S46.8Very low75.8Confident62 Ų6273.2 Ų73.243%0.43437%0.365SS..  trans-144.7124.1175.3-171.50000110.5Y1726 N1730Y1726-S1728 PolarHBondContact O-N 3.48Å; S1728-N1730 PolarHBondContact O-N 2.85Å; S1728-N1730 WeakPolarHBondContact OG-CB 3.43Å
1729N49.3Very low75.9Confident178 Ų17868.7 Ų68.795%0.95235%0.345SS*.  trans-63.935.2166.8-77.8-11.8000111.9P1731N1729-P1731 WeakPolarHBondContact O-CD 3.35Å
1730N55.6Low75.9Confident70 Ų7068.9 Ų68.937%0.37435%0.346SS..  trans-80.4122.2-177.2-152.6-0.9000108.3S1728 E1732 N1733S1728-N1730 PolarHBondContact O-N 2.85Å; S1728-N1730 WeakPolarHBondContact OG-CB 3.43Å; N1730-E1732 PolarHBondContact O-N 2.93Å; N1730-N1733 PolarHBondContact O-N 2.85Å
1731P56Low76Confident99 Ų9966.1 Ų66.164%0.64334%0.336SS*.G310 helixtrans-54.6-21178.116.8-30.3000113.7N1729 N1733 S1734N1729-P1731 WeakPolarHBondContact O-CD 3.35Å; P1731-N1733 PolarHBondContact O-N 2.88Å; P1731-S1734 PolarHBondContact O-N 2.92Å; P1731-S1734 VanDerWaalsContact O-O 3.09Å; P1731-S1734 PolarHBondContact O-OG 2.74Å
1732E59.6Low76.1Confident159 Ų15966.2 Ų66.274%0.74334%0.336SS*.G310 helixtrans-65-16.2174.5-63.2-166.3154.200115N1730 S1734N1730-E1732 PolarHBondContact O-N 2.93Å; E1732-S1734 VanDerWaalsContact C-N 3.35Å
1733N69.6Low75.9Confident43 Ų4367.7 Ų67.723%0.2334%0.341CS..G310 helixtrans-90.74179-75.5-21.9000113.8S1723 N1730 P1731S1723-N1733 PolarHBondContact N-O 2.54Å; N1730-N1733 PolarHBondContact O-N 2.85Å; P1731-N1733 PolarHBondContact O-N 2.88Å
1734S81.2Confident76.1Confident32 Ų3269.3 Ų69.322%0.22435%0.35CS..EExtended strand (participates in β ladder)trans-138.4147.6179.4720000111.5Y1720 I1721 P1731 E1732Y1720-S1734 WeakPolarHBondContact OH-CB 3.34Å; Y1720-S1734 PolarHBondContact OH-OG 2.85Å; Y1720-S1734 VanDerWaalsContact OH-OG 3.1Å; I1721-S1734 CarbonylContact O-C 3.55Å; I1721-S1734 WeakPolarHBondContact O-CA 3.39Å; I1721-S1734 WeakPolarHBondContact O-CB 3.48Å; P1731-S1734 PolarHBondContact O-N 2.92Å; P1731-S1734 VanDerWaalsContact O-O 3.09Å; P1731-S1734 PolarHBondContact O-OG 2.74Å; E1732-S1734 VanDerWaalsContact C-N 3.35Å
1735K87Confident76.6Confident33 Ų3365.7 Ų65.714%0.14333%0.332CS..EExtended strand (participates in β ladder)trans-154.7138.8-174.1-162.7146.4-149.8-153.50114.9L1659 N1662 T1664 Y1720 I1721 V1737L1659-K1735 HydrophobicContact CD2-CB 4.05Å; N1662-K1735 PolarHBondContact O-NZ 2.87Å; N1662-K1735 WeakPolarHBondContact OD1-CE 3.43Å; N1662-K1735 PolarHBondContact OD1-NZ 2.8Å; T1664-K1735 HydrophobicContact CG2-CD 4.44Å; T1664-K1735 VanDerWaalsContact CG2-CE 3.43Å; Y1720-K1735 WeakPolarHBondContact CA-O 3.42Å; I1721-K1735 PolarHBondContact N-O 2.89Å; I1721-K1735 PolarHBondContact O-N 2.81Å; K1735-V1737 HydrophobicContact CG-CG2 4.29Å
1736Y91.3Very high77Confident143 Ų14364.2 Ų64.256%0.56133%0.327SS*.EExtended strand (participates in β ladder)trans-80.9129.5164.1-65.7-86.4000110.4L1706 L1719 Y1720L1706-Y1736 HydrophobicContact CD1-CD1 3.62Å; L1706-Y1736 HydrophobicContact CD1-CE1 3.39Å; L1719-Y1736 CarbonylContact O-C 3.57Å; L1719-Y1736 WeakPolarHBondContact O-CA 3.39Å; Y1720-Y1736 AromaticContact CD2-CD1 3.9Å; Y1720-Y1736 HydrophobicContact CD2-CD1 3.9Å; Y1720-Y1736 HydrophobicContact CD2-CD2 4.12Å; Y1720-Y1736 AromaticContact CD2-CE1 3.78Å; Y1720-Y1736 HydrophobicContact CD2-CE1 3.78Å; Y1720-Y1736 AromaticContact CD2-CE2 3.97Å; Y1720-Y1736 HydrophobicContact CD2-CE2 3.97Å; Y1720-Y1736 HydrophobicContact CD2-CG 4.08Å; Y1720-Y1736 AromaticContact CD2-CZ 3.8Å; Y1720-Y1736 HydrophobicContact CE2-CD2 4.25Å; Y1720-Y1736 HydrophobicContact CE2-CE1 4.42Å; Y1720-Y1736 AromaticContact CE2-CE2 3.88Å; Y1720-Y1736 HydrophobicContact CE2-CE2 3.88Å; Y1720-Y1736 AromaticContact CE2-CZ 3.97Å; Y1720-Y1736 HydrophobicContact CG-CE1 4.49Å
1737V94.5Very high77.2Confident1 Ų159.5 Ų59.51%0.00631%0.311CS..EExtended strand (participates in β ladder)trans-130.7130.9-179.3-175.70000109.2I1658 T1664 I1666 L1719 I1721 K1735I1658-V1737 HydrophobicContact CG2-CG2 3.89Å; T1664-V1737 CarbonylContact O-C 3.54Å; T1664-V1737 WeakPolarHBondContact O-CA 3.38Å; I1666-V1737 HydrophobicContact CD1-CG1 3.65Å; I1666-V1737 HydrophobicContact CG1-CG1 3.64Å; L1719-V1737 HydrophobicContact CB-CB 4.46Å; L1719-V1737 PolarHBondContact N-O 2.85Å; L1719-V1737 PolarHBondContact O-N 3.13Å; I1721-V1737 HydrophobicContact CD1-CG2 3.83Å; I1721-V1737 HydrophobicContact CG1-CG2 4.46Å; K1735-V1737 HydrophobicContact CG-CG2 4.29Å
1738V95.8Very high77.7Confident3 Ų356.2 Ų56.22%0.01829%0.294CS..EExtended strand (participates in β ladder)trans-100.2130.7173.9-179.10000108.9T1664 I1665 I1666 L1716 R1717 K1718 F1740 L1766 Y1772T1664-V1738 PolarHBondContact O-N 3.45Å; I1665-V1738 CarbonylContact C-O 3.51Å; I1665-V1738 VanDerWaalsContact CA-O 3.31Å; I1665-V1738 WeakPolarHBondContact CA-O 3.34Å; I1666-V1738 PolarHBondContact N-O 2.86Å; L1716-V1738 HydrophobicContact CD1-CG1 3.42Å; L1716-V1738 VanDerWaalsContact CD1-CG1 3.42Å; L1716-V1738 HydrophobicContact CG-CG1 3.95Å; R1717-V1738 CarbonylContact O-C 3.38Å; R1717-V1738 WeakPolarHBondContact O-CA 3.47Å; K1718-V1738 HydrophobicContact CG-CG2 3.95Å; V1738-F1740 HydrophobicContact CG1-CD2 4.4Å; V1738-F1740 HydrophobicContact CG1-CE2 4.2Å; V1738-L1766 HydrophobicContact CB-CD2 4.1Å; V1738-L1766 HydrophobicContact CG1-CD2 3.81Å; V1738-L1766 HydrophobicContact CG2-CD2 4.27Å; V1738-Y1772 HydrophobicContact CG2-CE1 3.88Å
1739Q97.2Very high79.3Confident0 Ų057.3 Ų57.30%030%0.295CS..EExtended strand (participates in β ladder)trans-111.5118174.9-175.4-162.831.500109.6I1666 M1668 Y1683 L1716 R1717 L1719I1666-Q1739 HydrophobicContact CB-CB 4.28Å; I1666-Q1739 HydrophobicContact CB-CG 4.14Å; I1666-Q1739 HydrophobicContact CG2-CG 4.28Å; I1666-Q1739 CarbonylContact O-C 3.54Å; I1666-Q1739 WeakPolarHBondContact O-CA 3.44Å; M1668-Q1739 PolarHBondContact SD-NE2 2.86Å; M1668-Q1739 VanDerWaalsContact SD-NE2 3.43Å; Y1683-Q1739 VanDerWaalsContact CZ-NE2 3.34Å; Y1683-Q1739 PolarHBondContact OH-NE2 3.16Å; L1716-Q1739 CarbonylContact C-O 3.59Å; L1716-Q1739 WeakPolarHBondContact CA-O 3.49Å; R1717-Q1739 HydrophobicContact CB-CB 4.26Å; R1717-Q1739 PolarHBondContact N-O 2.88Å; R1717-Q1739 PolarHBondContact O-N 2.83Å; L1719-Q1739 HydrophobicContact CD1-CB 4.12Å
1740F97.4Very high81.2Confident4 Ų450.3 Ų50.32%0.01826%0.258CS..EExtended strand (participates in β ladder)trans-87.3116.7162-74.9-98.5000108.6I1665 I1666 V1667 M1668 Y1714 L1716 V1738 L1759 D1762 L1766I1665-F1740 HydrophobicContact CG2-CD2 4.09Å; I1665-F1740 HydrophobicContact CG2-CE2 4.37Å; I1666-F1740 PolarHBondContact O-N 2.89Å; V1667-F1740 CarbonylContact C-O 3.58Å; V1667-F1740 WeakPolarHBondContact CA-O 3.42Å; M1668-F1740 PolarHBondContact N-O 3.18Å; Y1714-F1740 HydrophobicContact CD1-CD1 4.43Å; Y1714-F1740 AromaticContact CD2-CD1 3.58Å; Y1714-F1740 HydrophobicContact CD2-CD1 3.58Å; Y1714-F1740 HydrophobicContact CD2-CE1 4.16Å; Y1714-F1740 HydrophobicContact CE1-CD1 4.35Å; Y1714-F1740 HydrophobicContact CE1-CE1 4.36Å; Y1714-F1740 AromaticContact CE2-CD1 3.49Å; Y1714-F1740 HydrophobicContact CE2-CD1 3.49Å; Y1714-F1740 VanDerWaalsContact CE2-CD1 3.49Å; Y1714-F1740 AromaticContact CE2-CE1 3.57Å; Y1714-F1740 HydrophobicContact CE2-CE1 3.57Å; Y1714-F1740 HydrophobicContact CG-CD1 4.1Å; Y1714-F1740 AromaticContact CZ-CD1 3.91Å; Y1714-F1740 AromaticContact CZ-CE1 3.7Å; L1716-F1740 HydrophobicContact CD1-CD1 3.72Å; L1716-F1740 HydrophobicContact CD1-CD2 3.73Å; L1716-F1740 HydrophobicContact CD1-CE1 3.56Å; L1716-F1740 HydrophobicContact CD1-CE2 3.57Å; L1716-F1740 HydrophobicContact CD1-CG 3.81Å; L1716-F1740 HydrophobicContact CD1-CZ 3.48Å; L1716-F1740 VanDerWaalsContact CD1-CZ 3.48Å; V1738-F1740 HydrophobicContact CG1-CD2 4.4Å; V1738-F1740 HydrophobicContact CG1-CE2 4.2Å; F1740-L1759 HydrophobicContact CB-CD1 4.28Å; F1740-L1759 HydrophobicContact CD1-CD1 3.67Å; F1740-L1759 HydrophobicContact CE1-CD1 4.43Å; F1740-L1759 HydrophobicContact CG-CD1 4.31Å; F1740-D1762 HydrophobicContact CE1-CB 4.44Å; F1740-L1766 HydrophobicContact CE2-CD2 3.58Å; F1740-L1766 HydrophobicContact CZ-CB 4.39Å; F1740-L1766 HydrophobicContact CZ-CD2 4.03Å
1741H96.2Very high82.8Confident4 Ų447.1 Ų47.12%0.01924%0.242CC..EExtended strand (participates in β ladder)trans-11496.4178.5-177.2-164.3000110.1M1668 T1670 Y1714 I1715 R1717 M1743M1668-H1741 HydrophobicContact CB-CB 4.37Å; M1668-H1741 WeakPolarHBondContact CE-NE2 3.44Å; M1668-H1741 VanDerWaalsContact CG-CD2 3.46Å; M1668-H1741 WeakPolarHBondContact CG-CD2 3.39Å; M1668-H1741 CarbonylContact O-C 3.59Å; M1668-H1741 WeakPolarHBondContact O-CA 3.24Å; T1670-H1741 PolarHBondContact O-NE2 2.84Å; Y1714-H1741 CarbonylContact C-O 3.54Å; Y1714-H1741 WeakPolarHBondContact CA-O 3.26Å; Y1714-H1741 WeakPolarHBondContact CB-O 3.15Å; I1715-H1741 HydrophobicContact CB-CB 4.37Å; I1715-H1741 PolarHBondContact N-O 3.06Å; I1715-H1741 PolarHBondContact O-N 2.88Å; R1717-H1741 PolarHBondContact NH1-ND1 2.84Å; H1741-M1743 PolarHBondContact CE1-SD 2.98Å; H1741-M1743 PolarHBondContact NE2-SD 3.26Å; H1741-M1743 PolarHBondContact O-N 2.94Å
1742M93.4Very high84.4Confident2 Ų249 Ų491%0.0124%0.24CC..EExtended strand (participates in β ladder)trans-76.7117.9179.6-171.6-179.4-173.800110.3M1668 L1669 T1744 W1745 P1751 F1756 L1759M1668-M1742 PolarHBondContact O-N 3.14Å; L1669-M1742 HydrophobicContact CD2-CB 4.21Å; L1669-M1742 HydrophobicContact CD2-SD 4.39Å; M1742-T1744 WeakPolarHBondContact CE-OG1 3.31Å; M1742-W1745 HydrophobicContact SD-CB 4.26Å; M1742-W1745 HydrophobicContact SD-CE3 3.87Å; M1742-P1751 HydrophobicContact CE-CB 3.69Å; M1742-P1751 HydrophobicContact CE-CG 4.48Å; M1742-F1756 HydrophobicContact CE-CD2 4.39Å; M1742-F1756 HydrophobicContact SD-CD2 4.35Å; M1742-L1759 HydrophobicContact CB-CD2 4.2Å; M1742-L1759 HydrophobicContact CG-CD2 4.24Å; M1742-L1759 HydrophobicContact SD-CD2 3.59Å; M1742-L1759 VanDerWaalsContact SD-CD2 3.59Å
1743M84.8Confident86Confident65 Ų6543.4 Ų43.432%0.3222%0.215SC..  trans-98.4-10.3-175-66.8-67.3-81.700112.9K1671 I1713 I1715 H1741K1671-M1743 WeakPolarHBondContact CE-O 3.29Å; K1671-M1743 HydrophobicContact CG-CE 4.28Å; K1671-M1743 HydrophobicContact CG-SD 4.14Å; I1713-M1743 PolarHBondContact O-N 3.22Å; I1715-M1743 HydrophobicContact CD1-CG 4.12Å; I1715-M1743 HydrophobicContact CG1-CG 4.4Å; H1741-M1743 PolarHBondContact CE1-SD 2.98Å; H1741-M1743 PolarHBondContact NE2-SD 3.26Å; H1741-M1743 PolarHBondContact O-N 2.94Å
1744T87.6Confident87Confident47 Ų4745 Ų4529%0.28823%0.229SC..  trans-97.6-5.7-172.765.50000114.8M1742 P1746 E1755M1742-T1744 WeakPolarHBondContact CE-OG1 3.31Å; T1744-P1746 VanDerWaalsContact O-CD 3.27Å; T1744-P1746 WeakPolarHBondContact O-CD 3.34Å; T1744-E1755 VanDerWaalsContact CB-OE2 3.26Å; T1744-E1755 WeakPolarHBondContact CB-OE2 3.42Å; T1744-E1755 PolarHBondContact OG1-OE2 2.71Å
1745W89.2Confident87.4Confident3 Ų345.3 Ų45.31%0.01123%0.227CC..  trans-74.6115.5179.3-159.2-35.8000111.2L1669 M1742 D1749 P1751 F1756 R1787 T1790L1669-W1745 HydrophobicContact CB-CE3 4.24Å; L1669-W1745 HydrophobicContact CD1-CZ3 4.08Å; L1669-W1745 HydrophobicContact CD2-CE3 4.02Å; L1669-W1745 HydrophobicContact CD2-CZ3 4.03Å; L1669-W1745 HydrophobicContact CG-CZ3 4.46Å; M1742-W1745 HydrophobicContact SD-CB 4.26Å; M1742-W1745 HydrophobicContact SD-CE3 3.87Å; W1745-D1749 PolarHBondContact NE1-O 3.13Å; W1745-P1751 HydrophobicContact CD2-CB 4.16Å; W1745-P1751 HydrophobicContact CD2-CG 3.92Å; W1745-P1751 VanDerWaalsContact CE2-CD 3.47Å; W1745-P1751 HydrophobicContact CE3-CG 4.12Å; W1745-P1751 HydrophobicContact CG-CB 4.18Å; W1745-P1751 HydrophobicContact CG-CG 4.42Å; W1745-P1751 HydrophobicContact CH2-CG 4.24Å; W1745-P1751 HydrophobicContact CZ2-CG 4.09Å; W1745-P1751 HydrophobicContact CZ3-CG 4.29Å; W1745-F1756 HydrophobicContact CE3-CE2 4.42Å; W1745-F1756 HydrophobicContact CH2-CE2 4.05Å; W1745-F1756 HydrophobicContact CZ3-CD2 4.13Å; W1745-F1756 AromaticContact CZ3-CE2 3.6Å; W1745-F1756 HydrophobicContact CZ3-CE2 3.6Å; W1745-R1787 HydrophobicContact CD2-CB 4.08Å; W1745-R1787 HydrophobicContact CD2-CG 3.93Å; W1745-R1787 HydrophobicContact CE3-CB 4.11Å; W1745-R1787 HydrophobicContact CE3-CG 4.46Å; W1745-R1787 HydrophobicContact CG-CG 4.31Å; W1745-R1787 HydrophobicContact CH2-CB 3.92Å; W1745-R1787 HydrophobicContact CZ2-CB 3.83Å; W1745-R1787 HydrophobicContact CZ2-CG 3.93Å; W1745-R1787 HydrophobicContact CZ3-CB 4.02Å; W1745-R1787 PolarHBondContact O-NH1 2.91Å; W1745-T1790 HydrophobicContact CH2-CG2 3.78Å; W1745-T1790 HydrophobicContact CZ2-CG2 4.03Å
1746P77.6Confident87.7Confident59 Ų5943.7 Ų43.738%0.38322%0.22SC..  trans-72.2153.8-179.6-7.722.7000113.2T1744 D1749T1744-P1746 VanDerWaalsContact O-CD 3.27Å; T1744-P1746 WeakPolarHBondContact O-CD 3.34Å; P1746-D1749 HydrophobicContact CB-CB 4.09Å; P1746-D1749 HydrophobicContact CG-CB 4.36Å
1747D62.6Low87.7Confident38 Ų3839.9 Ų39.920%0.20321%0.208CC..THydrogen-bonded Turntrans-70137.5176.7-153.114.9000113.1E1674 K1679 D1749 R1787E1674-D1747 HydrophobicContact CB-CB 4.48Å; E1674-D1747 WeakPolarHBondContact OE2-CB 2.94Å; K1679-D1747 WeakPolarHBondContact CE-OD2 3.48Å; K1679-D1747 IonicContact NZ-OD2 3.83Å; K1679-D1747 PolarHBondContact NZ-OD2 2.59Å; D1747-D1749 PolarHBondContact O-N 3.06Å; D1747-R1787 IonicContact OD1-CZ 2.7Å; D1747-R1787 IonicContact OD1-NH2 3.8Å; D1747-R1787 PolarHBondContact OD1-NH2 2.64Å
1748F59.6Low87.5Confident136 Ų13643.1 Ų43.160%0.59623%0.227SC*.THydrogen-bonded Turntrans56.97.1-175-54.1-75.9000117.3
1749D78.8Confident87.4Confident84 Ų8443 Ų4345%0.44923%0.226SC..SBendtrans-119.5-168.9179.3-148.7-16.4000112.1W1745 P1746 D1747W1745-D1749 PolarHBondContact NE1-O 3.13Å; P1746-D1749 HydrophobicContact CB-CB 4.09Å; P1746-D1749 HydrophobicContact CG-CB 4.36Å; D1747-D1749 PolarHBondContact O-N 3.06Å
1750V89.6Confident87.2Confident31 Ų3143 Ų4319%0.18823%0.226CC..  trans-111.1151.4179.4-610000111.2A1829 Q1830 F1833V1750-A1829 VanDerWaalsContact CG1-C 3.46Å; V1750-A1829 HydrophobicContact CG1-CB 4.06Å; V1750-A1829 WeakPolarHBondContact CG1-O 3.5Å; V1750-Q1830 HydrophobicContact CG1-CB 4.49Å; V1750-Q1830 HydrophobicContact CG1-CG 4.13Å; V1750-F1833 HydrophobicContact CB-CB 3.87Å; V1750-F1833 HydrophobicContact CB-CD2 3.89Å; V1750-F1833 HydrophobicContact CB-CG 3.89Å; V1750-F1833 HydrophobicContact CG1-CB 3.65Å; V1750-F1833 HydrophobicContact CG1-CG 4.15Å; V1750-F1833 HydrophobicContact CG2-CB 4.26Å; V1750-F1833 HydrophobicContact CG2-CD2 4.04Å; V1750-F1833 HydrophobicContact CG2-CG 4.4Å
1751P90.6Very high86.9Confident4 Ų448.2 Ų48.23%0.02625%0.249CC..  trans-75.4164.9179.831.4-27000109.9M1742 W1745 L1753 F1756 F1833M1742-P1751 HydrophobicContact CE-CB 3.69Å; M1742-P1751 HydrophobicContact CE-CG 4.48Å; W1745-P1751 HydrophobicContact CD2-CB 4.16Å; W1745-P1751 HydrophobicContact CD2-CG 3.92Å; W1745-P1751 VanDerWaalsContact CE2-CD 3.47Å; W1745-P1751 HydrophobicContact CE3-CG 4.12Å; W1745-P1751 HydrophobicContact CG-CB 4.18Å; W1745-P1751 HydrophobicContact CG-CG 4.42Å; W1745-P1751 HydrophobicContact CH2-CG 4.24Å; W1745-P1751 HydrophobicContact CZ2-CG 4.09Å; W1745-P1751 HydrophobicContact CZ3-CG 4.29Å; P1751-L1753 PolarHBondContact O-N 3.48Å; P1751-F1756 HydrophobicContact CB-CB 4.34Å; P1751-F1756 HydrophobicContact CB-CD2 4.47Å; P1751-F1756 HydrophobicContact CG-CB 3.92Å; P1751-F1756 HydrophobicContact CG-CD2 3.67Å; P1751-F1756 HydrophobicContact CG-CE2 4.47Å; P1751-F1756 HydrophobicContact CG-CG 3.93Å; P1751-F1833 HydrophobicContact CG-CE1 3.95Å; P1751-F1833 HydrophobicContact CG-CE2 4.15Å; P1751-F1833 HydrophobicContact CG-CZ 3.63Å; P1751-F1833 WeakPolarHBondContact O-CE2 3.48Å
1752K89.3Confident86.7Confident138 Ų13849.9 Ų49.960%0.626%0.258SS*.  trans-64.2133167.9-69.1-169.5-160.5149.40109.4S1754 E1755 F1756K1752-S1754 VanDerWaalsContact C-N 3.33Å; K1752-S1754 PolarHBondContact O-N 2.8Å; K1752-E1755 HydrophobicContact CB-CB 4.34Å; K1752-E1755 HydrophobicContact CB-CG 4.05Å; K1752-E1755 WeakPolarHBondContact CD-OE1 3Å; K1752-E1755 IonicContact NZ-OE1 3.6Å; K1752-E1755 PolarHBondContact NZ-OE1 2.82Å; K1752-E1755 PolarHBondContact O-N 2.88Å; K1752-F1756 PolarHBondContact O-N 2.88Å
1753L92.5Very high86.8Confident41 Ų4149.9 Ų49.922%0.21526%0.258CS..Hα-helixtrans-58.6-42.9-173.3-177.659.4000112.9P1751 F1756 Q1757 F1833 Q1836 F1837 T1840P1751-L1753 PolarHBondContact O-N 3.48Å; L1753-F1756 PolarHBondContact O-N 2.79Å; L1753-Q1757 HydrophobicContact CD1-CG 4.4Å; L1753-Q1757 WeakPolarHBondContact O-CG 3.19Å; L1753-Q1757 PolarHBondContact O-N 2.79Å; L1753-F1833 HydrophobicContact CB-CE2 4.07Å; L1753-F1833 HydrophobicContact CD1-CE2 3.86Å; L1753-F1833 HydrophobicContact CD1-CZ 3.88Å; L1753-Q1836 HydrophobicContact CD2-CB 4.29Å; L1753-F1837 HydrophobicContact CD1-CB 3.75Å; L1753-F1837 HydrophobicContact CD1-CD2 3.82Å; L1753-F1837 HydrophobicContact CD1-CG 4.29Å; L1753-T1840 WeakPolarHBondContact CD2-OG1 3.3Å
1754S90.2Very high87.2Confident76 Ų7648 Ų4853%0.53125%0.247SC..Hα-helixtrans-63.4-43.517955.60000112.8K1752 F1756 Q1757 T1758K1752-S1754 VanDerWaalsContact C-N 3.33Å; K1752-S1754 PolarHBondContact O-N 2.8Å; S1754-F1756 VanDerWaalsContact C-N 3.33Å; S1754-Q1757 PolarHBondContact O-N 3.15Å; S1754-T1758 PolarHBondContact O-N 2.85Å; S1754-T1758 VanDerWaalsContact O-N 3.14Å; S1754-T1758 PolarHBondContact O-OG1 2.65Å
1755E90.7Very high87.3Confident39 Ų3951.6 Ų51.618%0.18226%0.261CS..Hα-helixtrans-64.7-41.5178-62.9176.9-16700110.5I1713 T1744 K1752 T1758 L1759I1713-E1755 HydrophobicContact CB-CB 4.47Å; I1713-E1755 WeakPolarHBondContact CD1-O 3.16Å; I1713-E1755 HydrophobicContact CG2-CB 3.78Å; I1713-E1755 HydrophobicContact CG2-CG 3.71Å; T1744-E1755 VanDerWaalsContact CB-OE2 3.26Å; T1744-E1755 WeakPolarHBondContact CB-OE2 3.42Å; T1744-E1755 PolarHBondContact OG1-OE2 2.71Å; K1752-E1755 HydrophobicContact CB-CB 4.34Å; K1752-E1755 HydrophobicContact CB-CG 4.05Å; K1752-E1755 WeakPolarHBondContact CD-OE1 3Å; K1752-E1755 IonicContact NZ-OE1 3.6Å; K1752-E1755 PolarHBondContact NZ-OE1 2.82Å; K1752-E1755 PolarHBondContact O-N 2.88Å; E1755-T1758 PolarHBondContact O-N 3Å; E1755-L1759 PolarHBondContact O-N 2.77Å; E1755-L1759 VanDerWaalsContact O-N 3.08Å
1756F92.9Very high87.4Confident0 Ų053.6 Ų53.60%027%0.272CS..Hα-helixtrans-67.2-36.9178.2-170.7-101.1000112.7M1742 W1745 P1751 K1752 L1753 S1754 L1759 M1760 F1791 A1794 F1833 F1837M1742-F1756 HydrophobicContact CE-CD2 4.39Å; M1742-F1756 HydrophobicContact SD-CD2 4.35Å; W1745-F1756 HydrophobicContact CE3-CE2 4.42Å; W1745-F1756 HydrophobicContact CH2-CE2 4.05Å; W1745-F1756 HydrophobicContact CZ3-CD2 4.13Å; W1745-F1756 AromaticContact CZ3-CE2 3.6Å; W1745-F1756 HydrophobicContact CZ3-CE2 3.6Å; P1751-F1756 HydrophobicContact CB-CB 4.34Å; P1751-F1756 HydrophobicContact CB-CD2 4.47Å; P1751-F1756 HydrophobicContact CG-CB 3.92Å; P1751-F1756 HydrophobicContact CG-CD2 3.67Å; P1751-F1756 HydrophobicContact CG-CE2 4.47Å; P1751-F1756 HydrophobicContact CG-CG 3.93Å; K1752-F1756 PolarHBondContact O-N 2.88Å; L1753-F1756 PolarHBondContact O-N 2.79Å; S1754-F1756 VanDerWaalsContact C-N 3.33Å; F1756-L1759 PolarHBondContact O-N 2.85Å; F1756-M1760 HydrophobicContact CD1-CE 4.37Å; F1756-M1760 HydrophobicContact CD2-CE 4.44Å; F1756-M1760 HydrophobicContact CE1-CE 3.73Å; F1756-M1760 HydrophobicContact CE2-CE 3.79Å; F1756-M1760 HydrophobicContact CZ-CE 3.4Å; F1756-M1760 WeakPolarHBondContact O-CB 3.28Å; F1756-M1760 PolarHBondContact O-N 3.36Å; F1756-F1791 HydrophobicContact CE2-CD2 4.23Å; F1756-F1791 HydrophobicContact CZ-CD2 4.3Å; F1756-A1794 HydrophobicContact CE1-CB 3.58Å; F1756-A1794 HydrophobicContact CZ-CB 3.96Å; F1756-F1833 HydrophobicContact CB-CZ 3.85Å; F1756-F1833 AromaticContact CD1-CE1 3.69Å; F1756-F1833 HydrophobicContact CD1-CE1 3.69Å; F1756-F1833 AromaticContact CD1-CZ 3.74Å; F1756-F1833 HydrophobicContact CD1-CZ 3.74Å; F1756-F1833 AromaticContact CE1-CE1 3.97Å; F1756-F1833 HydrophobicContact CE1-CE1 3.97Å; F1756-F1833 HydrophobicContact CE1-CZ 4.47Å; F1756-F1833 AromaticContact CG-CE1 4Å; F1756-F1833 HydrophobicContact CG-CE1 4Å; F1756-F1833 AromaticContact CG-CZ 3.8Å; F1756-F1833 HydrophobicContact CG-CZ 3.8Å; F1756-F1837 AromaticContact CD1-CD2 3.92Å; F1756-F1837 HydrophobicContact CD1-CD2 3.92Å; F1756-F1837 HydrophobicContact CD1-CE2 4.05Å; F1756-F1837 HydrophobicContact CE1-CD2 4.21Å; F1756-F1837 HydrophobicContact CE1-CE2 4.22Å
1757Q91.6Very high88.1Confident63 Ų6351.9 Ų51.929%0.29426%0.258SS..Hα-helixtrans-63.3-40.5173.4-75.9178.3-64.600112.2L1753 S1754 M1760 K1761 F1837L1753-Q1757 HydrophobicContact CD1-CG 4.4Å; L1753-Q1757 WeakPolarHBondContact O-CG 3.19Å; L1753-Q1757 PolarHBondContact O-N 2.79Å; S1754-Q1757 PolarHBondContact O-N 3.15Å; Q1757-M1760 PolarHBondContact O-N 2.92Å; Q1757-K1761 WeakPolarHBondContact O-CB 3.26Å; Q1757-K1761 PolarHBondContact O-N 2.83Å; Q1757-F1837 HydrophobicContact CG-CD2 3.95Å; Q1757-F1837 HydrophobicContact CG-CE2 3.75Å
1758T90Very high89.1Confident68 Ų6853.2 Ų53.242%0.41727%0.27SS..Hα-helixtrans-61.7-50.1174.7-58.70000111I1713 S1754 E1755 M1760 K1761 D1762I1713-T1758 HydrophobicContact CD1-CG2 3.73Å; S1754-T1758 PolarHBondContact O-N 2.85Å; S1754-T1758 VanDerWaalsContact O-N 3.14Å; S1754-T1758 PolarHBondContact O-OG1 2.65Å; E1755-T1758 PolarHBondContact O-N 3Å; T1758-M1760 VanDerWaalsContact C-N 3.25Å; T1758-M1760 PolarHBondContact O-N 3.25Å; T1758-K1761 PolarHBondContact O-N 3.49Å; T1758-D1762 PolarHBondContact O-N 2.86Å
1759L93.4Very high90Very high0 Ų048.1 Ų48.10%026%0.255CS..Hα-helixtrans-53.5-46174.117268.3000111.2L1669 I1713 Y1714 F1740 M1742 E1755 F1756 D1762 Y1763 F1791L1669-L1759 HydrophobicContact CD2-CD2 4.38Å; I1713-L1759 HydrophobicContact CD1-CB 4.17Å; Y1714-L1759 HydrophobicContact CD1-CB 4.14Å; Y1714-L1759 HydrophobicContact CD1-CD1 3.45Å; Y1714-L1759 VanDerWaalsContact CD1-CD1 3.45Å; Y1714-L1759 HydrophobicContact CD1-CG 4.4Å; Y1714-L1759 HydrophobicContact CE1-CB 4.5Å; Y1714-L1759 HydrophobicContact CE1-CD1 3.98Å; Y1714-L1759 HydrophobicContact CG-CD1 3.83Å; F1740-L1759 HydrophobicContact CB-CD1 4.28Å; F1740-L1759 HydrophobicContact CD1-CD1 3.67Å; F1740-L1759 HydrophobicContact CE1-CD1 4.43Å; F1740-L1759 HydrophobicContact CG-CD1 4.31Å; M1742-L1759 HydrophobicContact CB-CD2 4.2Å; M1742-L1759 HydrophobicContact CG-CD2 4.24Å; M1742-L1759 HydrophobicContact SD-CD2 3.59Å; M1742-L1759 VanDerWaalsContact SD-CD2 3.59Å; E1755-L1759 PolarHBondContact O-N 2.77Å; E1755-L1759 VanDerWaalsContact O-N 3.08Å; F1756-L1759 PolarHBondContact O-N 2.85Å; L1759-D1762 PolarHBondContact O-N 2.77Å; L1759-Y1763 WeakPolarHBondContact O-CB 3.44Å; L1759-Y1763 PolarHBondContact O-N 2.85Å; L1759-F1791 HydrophobicContact CD2-CD2 4.45Å; L1759-F1791 HydrophobicContact CD2-CE2 4.22Å
1760M93.3Very high89.5Confident0 Ų048 Ų480%025%0.252CS..Hα-helixtrans-63.9-45.4-178-143.950.239.400111.4F1756 Q1757 T1758 D1762 Y1763 R1764 F1791 D1795 F1837F1756-M1760 HydrophobicContact CD1-CE 4.37Å; F1756-M1760 HydrophobicContact CD2-CE 4.44Å; F1756-M1760 HydrophobicContact CE1-CE 3.73Å; F1756-M1760 HydrophobicContact CE2-CE 3.79Å; F1756-M1760 HydrophobicContact CZ-CE 3.4Å; F1756-M1760 WeakPolarHBondContact O-CB 3.28Å; F1756-M1760 PolarHBondContact O-N 3.36Å; Q1757-M1760 PolarHBondContact O-N 2.92Å; T1758-M1760 VanDerWaalsContact C-N 3.25Å; T1758-M1760 PolarHBondContact O-N 3.25Å; M1760-D1762 PolarHBondContact O-N 3.46Å; M1760-Y1763 PolarHBondContact O-N 2.91Å; M1760-Y1763 HydrophobicContact SD-CD1 4.06Å; M1760-R1764 WeakPolarHBondContact O-CB 3.48Å; M1760-R1764 WeakPolarHBondContact O-CG 3.39Å; M1760-R1764 PolarHBondContact O-N 3.19Å; M1760-F1791 HydrophobicContact CE-CD2 3.43Å; M1760-F1791 VanDerWaalsContact CE-CD2 3.43Å; M1760-F1791 HydrophobicContact CE-CE2 3.19Å; M1760-F1791 HydrophobicContact CE-CG 4.38Å; M1760-F1791 HydrophobicContact CE-CZ 4.01Å; M1760-F1791 HydrophobicContact SD-CD2 4.22Å; M1760-F1791 HydrophobicContact SD-CE2 3.7Å; M1760-F1791 HydrophobicContact SD-CZ 3.87Å; M1760-D1795 HydrophobicContact SD-CB 4.34Å; M1760-F1837 HydrophobicContact CG-CZ 4.24Å
1761K91.2Very high88.8Confident115 Ų11551.1 Ų51.150%0.528%0.275SS..Hα-helixtrans-56.6-52.1177.3-174.3-166.2171.8-157.10111.6Q1757 T1758 Y1763 R1764 E1765Q1757-K1761 WeakPolarHBondContact O-CB 3.26Å; Q1757-K1761 PolarHBondContact O-N 2.83Å; T1758-K1761 PolarHBondContact O-N 3.49Å; K1761-Y1763 PolarHBondContact O-N 2.98Å; K1761-R1764 PolarHBondContact O-N 2.74Å; K1761-E1765 VanDerWaalsContact CE-OE1 3.29Å; K1761-E1765 WeakPolarHBondContact CE-OE1 3.27Å; K1761-E1765 IonicContact NZ-OE1 3.76Å; K1761-E1765 PolarHBondContact O-N 2.85Å
1762D92.8Very high88.4Confident39 Ų3952.7 Ų52.721%0.20928%0.281CS..Hα-helixtrans-68.9-38.1-175.3-59-23.5000111.2Y1714 F1740 T1758 L1759 M1760 L1766Y1714-D1762 HydrophobicContact CE1-CB 4.37Å; Y1714-D1762 VanDerWaalsContact OH-CB 3.23Å; Y1714-D1762 WeakPolarHBondContact OH-CB 3.34Å; Y1714-D1762 PolarHBondContact OH-OD2 3.39Å; F1740-D1762 HydrophobicContact CE1-CB 4.44Å; T1758-D1762 PolarHBondContact O-N 2.86Å; L1759-D1762 PolarHBondContact O-N 2.77Å; M1760-D1762 PolarHBondContact O-N 3.46Å; D1762-L1766 PolarHBondContact O-N 2.98Å
1763Y95.1Very high87.7Confident1 Ų151.6 Ų51.60%0.00427%0.273CS..Hα-helixtrans-59.9-46.5169.8162-99.8000112I1665 V1667 L1759 M1760 K1761 L1766 K1767 T1777 F1791 D1795I1665-Y1763 HydrophobicContact CD1-CE2 4.41Å; I1665-Y1763 HydrophobicContact CG2-CD2 4.2Å; I1665-Y1763 HydrophobicContact CG2-CE2 4.05Å; V1667-Y1763 HydrophobicContact CG2-CD2 4.13Å; V1667-Y1763 HydrophobicContact CG2-CE2 4.16Å; L1759-Y1763 WeakPolarHBondContact O-CB 3.44Å; L1759-Y1763 PolarHBondContact O-N 2.85Å; M1760-Y1763 PolarHBondContact O-N 2.91Å; M1760-Y1763 HydrophobicContact SD-CD1 4.06Å; K1761-Y1763 PolarHBondContact O-N 2.98Å; Y1763-L1766 PolarHBondContact O-N 3.12Å; Y1763-K1767 HydrophobicContact CE2-CB 4.34Å; Y1763-K1767 HydrophobicContact CE2-CD 4.46Å; Y1763-K1767 WeakPolarHBondContact O-CB 3.49Å; Y1763-K1767 PolarHBondContact O-N 2.78Å; Y1763-T1777 HydrophobicContact CE2-CG2 3.72Å; Y1763-T1777 PolarHBondContact OH-OG1 3.09Å; Y1763-F1791 HydrophobicContact CD1-CE1 4.45Å; Y1763-F1791 AromaticContact CD1-CZ 3.72Å; Y1763-F1791 HydrophobicContact CD1-CZ 3.72Å; Y1763-F1791 HydrophobicContact CD2-CZ 4.08Å; Y1763-F1791 HydrophobicContact CE1-CE1 4.09Å; Y1763-F1791 AromaticContact CE1-CZ 3.82Å; Y1763-F1791 HydrophobicContact CE1-CZ 3.82Å; Y1763-F1791 HydrophobicContact CE2-CE1 4.48Å; Y1763-F1791 HydrophobicContact CE2-CZ 4.17Å; Y1763-F1791 AromaticContact CG-CZ 3.85Å; Y1763-F1791 HydrophobicContact CG-CZ 3.85Å; Y1763-D1795 HydrophobicContact CE1-CB 4.43Å; Y1763-D1795 PolarHBondContact OH-OD2 3.18Å
1764R92.5Very high87.2Confident26 Ų2654.8 Ų54.810%0.09828%0.283CS..Hα-helixtrans-64.7-43-180-69.4-65.2-69.5168.8-1.9111.5M1760 K1761 L1766 K1767 C1768 D1795 Q1798 E1802M1760-R1764 WeakPolarHBondContact O-CB 3.48Å; M1760-R1764 WeakPolarHBondContact O-CG 3.39Å; M1760-R1764 PolarHBondContact O-N 3.19Å; K1761-R1764 PolarHBondContact O-N 2.74Å; R1764-L1766 VanDerWaalsContact C-N 3.35Å; R1764-L1766 PolarHBondContact O-N 2.87Å; R1764-K1767 PolarHBondContact O-N 2.85Å; R1764-C1768 VanDerWaalsContact O-CB 3.32Å; R1764-C1768 WeakPolarHBondContact O-CB 3.48Å; R1764-C1768 PolarHBondContact O-N 2.75Å; R1764-C1768 PolarHBondContact O-SG 2.83Å; R1764-D1795 WeakPolarHBondContact CD-OD1 3.38Å; R1764-D1795 IonicContact CZ-OD1 2.74Å; R1764-D1795 IonicContact NE-OD1 3.82Å; R1764-D1795 IonicContact NH1-OD1 2.7Å; R1764-D1795 PolarHBondContact NH1-OD1 2.83Å; R1764-D1795 IonicContact NH1-OD2 3.6Å; R1764-Q1798 HydrophobicContact CG-CG 4.3Å; R1764-E1802 IonicContact CZ-OE2 3.96Å; R1764-E1802 IonicContact NE-OE1 2.74Å; R1764-E1802 IonicContact NE-OE2 3.5Å; R1764-E1802 IonicContact NH2-OE2 2.73Å; R1764-E1802 PolarHBondContact NH2-OE2 2.62Å
1765E89.9Confident87Confident122 Ų12251.6 Ų51.657%0.5726%0.261SS*.Hα-helixtrans-58.1-47.3175.3-81.6-177.5-174.200111K1761K1761-E1765 VanDerWaalsContact CE-OE1 3.29Å; K1761-E1765 WeakPolarHBondContact CE-OE1 3.27Å; K1761-E1765 IonicContact NZ-OE1 3.76Å; K1761-E1765 PolarHBondContact O-N 2.85Å
1766L91.4Very high87.1Confident46 Ų4650.4 Ų50.424%0.24126%0.257CS..Hα-helixtrans-64.9-45.8175.7-17076.6000111.7I1665 V1738 F1740 D1762 Y1763 R1764 C1768 G1769 Y1772I1665-L1766 HydrophobicContact CD1-CD2 3.94Å; I1665-L1766 HydrophobicContact CD1-CG 4.35Å; I1665-L1766 HydrophobicContact CG1-CD2 4.28Å; V1738-L1766 HydrophobicContact CB-CD2 4.1Å; V1738-L1766 HydrophobicContact CG1-CD2 3.81Å; V1738-L1766 HydrophobicContact CG2-CD2 4.27Å; F1740-L1766 HydrophobicContact CE2-CD2 3.58Å; F1740-L1766 HydrophobicContact CZ-CB 4.39Å; F1740-L1766 HydrophobicContact CZ-CD2 4.03Å; D1762-L1766 PolarHBondContact O-N 2.98Å; Y1763-L1766 PolarHBondContact O-N 3.12Å; R1764-L1766 VanDerWaalsContact C-N 3.35Å; R1764-L1766 PolarHBondContact O-N 2.87Å; L1766-C1768 VanDerWaalsContact C-N 3.27Å; L1766-C1768 PolarHBondContact O-N 3Å; L1766-G1769 WeakPolarHBondContact O-CA 3.09Å; L1766-G1769 PolarHBondContact O-N 2.96Å; L1766-Y1772 HydrophobicContact CD1-CD2 4.18Å; L1766-Y1772 HydrophobicContact CD1-CE2 3.73Å; L1766-Y1772 HydrophobicContact CG-CD2 4.04Å; L1766-Y1772 HydrophobicContact CG-CE2 4.04Å; L1766-Y1772 HydrophobicContact CG-CG 4.38Å; L1766-Y1772 VanDerWaalsContact O-CD2 3.29Å; L1766-Y1772 WeakPolarHBondContact O-CD2 3.31Å
1767K91.5Very high87.3Confident22 Ų2250.4 Ų50.410%0.09626%0.257CS..Hα-helixtrans-60.9-36.4-177.3-176.863.2179.1-171.60112.3I1665 Y1763 R1764 G1769 Y1772 R1773 S1775 T1777I1665-K1767 HydrophobicContact CD1-CB 4.37Å; I1665-K1767 HydrophobicContact CD1-CD 3.94Å; Y1763-K1767 HydrophobicContact CE2-CB 4.34Å; Y1763-K1767 HydrophobicContact CE2-CD 4.46Å; Y1763-K1767 WeakPolarHBondContact O-CB 3.49Å; Y1763-K1767 PolarHBondContact O-N 2.78Å; R1764-K1767 PolarHBondContact O-N 2.85Å; K1767-G1769 PolarHBondContact O-N 2.9Å; K1767-Y1772 PolarHBondContact NZ-O 2.87Å; K1767-R1773 WeakPolarHBondContact O-CA 3.47Å; K1767-R1773 PolarHBondContact O-N 2.88Å; K1767-S1775 PolarHBondContact NZ-O 2.87Å; K1767-T1777 WeakPolarHBondContact CE-OG1 3.25Å; K1767-T1777 PolarHBondContact NZ-OG1 2.94Å
1768C83.5Confident87.6Confident67 Ų6747.4 Ų47.445%0.45324%0.243SC..Hα-helixtrans-69.4-16.9176.1-76.40000113.2R1764 L1766R1764-C1768 VanDerWaalsContact O-CB 3.32Å; R1764-C1768 WeakPolarHBondContact O-CB 3.48Å; R1764-C1768 PolarHBondContact O-N 2.75Å; R1764-C1768 PolarHBondContact O-SG 2.83Å; L1766-C1768 VanDerWaalsContact C-N 3.27Å; L1766-C1768 PolarHBondContact O-N 3Å
1769G79.7Confident88Confident28 Ų2844.2 Ų44.229%0.28922%0.223SC..SBendtrans-61.6141.3171.700000112.6L1766 K1767 S1771 Y1772 R1773L1766-G1769 WeakPolarHBondContact O-CA 3.09Å; L1766-G1769 PolarHBondContact O-N 2.96Å; K1767-G1769 PolarHBondContact O-N 2.9Å; G1769-S1771 VanDerWaalsContact C-N 3.3Å; G1769-S1771 PolarHBondContact O-N 2.84Å; G1769-Y1772 PolarHBondContact O-N 2.93Å; G1769-R1773 PolarHBondContact O-N 2.88Å
1770E68.1Low88.2Confident81 Ų8144.2 Ų44.238%0.37922%0.223SC..THydrogen-bonded Turntrans-59.8-36-167.9-66-16913700114.7Y995 K1008 R1042 Y1772Y995-E1770 VanDerWaalsContact CE1-OE1 3.23Å; Y995-E1770 WeakPolarHBondContact CE1-OE1 2.86Å; Y995-E1770 PolarHBondContact OH-OE1 2.88Å; K1008-E1770 IonicContact NZ-OE1 3.15Å; K1008-E1770 PolarHBondContact NZ-OE1 3.19Å; R1042-E1770 IonicContact CZ-OE1 3.44Å; R1042-E1770 IonicContact NH1-OE1 2.76Å; R1042-E1770 PolarHBondContact NH1-OE1 2.85Å; E1770-Y1772 PolarHBondContact O-N 2.9Å
1771S74.7Confident88.2Confident97 Ų9744.5 Ų44.568%0.67823%0.225SC*.THydrogen-bonded Turntrans-68.2-18.2178.3-46.60000113.4G1769G1769-S1771 VanDerWaalsContact C-N 3.3Å; G1769-S1771 PolarHBondContact O-N 2.84Å
1772Y81.5Confident88.3Confident38 Ų3839.7 Ų39.715%0.14921%0.205CC..THydrogen-bonded Turntrans-113.8-22-173.2-52.4-78.6000113.6T1664 I1665 V1738 L1766 K1767 G1769 E1770 Y1774 S1775T1664-Y1772 WeakPolarHBondContact OG1-CD1 3.46Å; I1665-Y1772 HydrophobicContact CD1-CD1 3.95Å; I1665-Y1772 HydrophobicContact CD1-CG 4.03Å; I1665-Y1772 HydrophobicContact CG1-CD1 3.7Å; I1665-Y1772 HydrophobicContact CG1-CE1 4.46Å; I1665-Y1772 HydrophobicContact CG1-CG 4.3Å; V1738-Y1772 HydrophobicContact CG2-CE1 3.88Å; L1766-Y1772 HydrophobicContact CD1-CD2 4.18Å; L1766-Y1772 HydrophobicContact CD1-CE2 3.73Å; L1766-Y1772 HydrophobicContact CG-CD2 4.04Å; L1766-Y1772 HydrophobicContact CG-CE2 4.04Å; L1766-Y1772 HydrophobicContact CG-CG 4.38Å; L1766-Y1772 VanDerWaalsContact O-CD2 3.29Å; L1766-Y1772 WeakPolarHBondContact O-CD2 3.31Å; K1767-Y1772 PolarHBondContact NZ-O 2.87Å; G1769-Y1772 PolarHBondContact O-N 2.93Å; E1770-Y1772 PolarHBondContact O-N 2.9Å; Y1772-Y1774 VanDerWaalsContact C-N 3.33Å; Y1772-Y1774 PolarHBondContact O-N 3.1Å; Y1772-S1775 PolarHBondContact O-N 2.88Å
1773R76.3Confident88.2Confident114 Ų11438.4 Ų38.443%0.4320%0.2SC..THydrogen-bonded Turntrans-55.8-38.7-169.7-173170.7-178.8156.5-0.8115.1K1767 G1769K1767-R1773 WeakPolarHBondContact O-CA 3.47Å; K1767-R1773 PolarHBondContact O-N 2.88Å; G1769-R1773 PolarHBondContact O-N 2.88Å
1774Y80.4Confident88.2Confident109 Ų10938.3 Ų38.343%0.42720%0.199SC..THydrogen-bonded Turntrans-101.4-9.9-175.4-60.3-60000114.7G1040 R1042 Y1772G1040-Y1774 VanDerWaalsContact O-CE1 3.22Å; G1040-Y1774 WeakPolarHBondContact O-CE1 3.45Å; G1040-Y1774 PolarHBondContact O-OH 2.84Å; R1042-Y1774 WeakPolarHBondContact CG-OH 3.43Å; R1042-Y1774 VanDerWaalsContact CZ-CE2 3.49Å; R1042-Y1774 PolarHBondContact NE-OH 2.91Å; Y1772-Y1774 VanDerWaalsContact C-N 3.33Å; Y1772-Y1774 PolarHBondContact O-N 3.1Å
1775S87.2Confident88.4Confident9 Ų937.1 Ų37.16%0.06320%0.195CC..SBendtrans-73.5140.4176.3177.40000109.4N1662 I1663 T1664 K1767 Y1772N1662-S1775 PolarHBondContact O-OG 3.01Å; I1663-S1775 WeakPolarHBondContact CA-OG 3.24Å; T1664-S1775 PolarHBondContact N-OG 2.74Å; T1664-S1775 WeakPolarHBondContact OG1-CB 3.47Å; T1664-S1775 PolarHBondContact OG1-OG 2.76Å; K1767-S1775 PolarHBondContact NZ-O 2.87Å; Y1772-S1775 PolarHBondContact O-N 2.88Å
1776P93.1Very high88.5Confident14 Ų1431.5 Ų31.59%0.09117%0.17CC..PPolyproline II helixtrans-66.5138.4168.725.3-30.3000110.5I1638 A1639 I1641 Q1661 I1663I1638-P1776 HydrophobicContact CG2-CB 3.82Å; I1638-P1776 HydrophobicContact CG2-CG 4.39Å; A1639-P1776 WeakPolarHBondContact O-CA 3.47Å; I1641-P1776 HydrophobicContact CD1-CG 4.42Å; Q1661-P1776 WeakPolarHBondContact O-CG 3.41Å; I1663-P1776 HydrophobicContact CG1-CG 4.37Å
1777T96.5Very high88.7Confident0 Ų029.8 Ų29.80%016%0.16CC..EExtended strand (participates in β ladder)trans-81.2124.8174.5-59.60000109.2A1639 Y1640 I1641 I1665 V1667 Y1763 K1767 V1779A1639-T1777 PolarHBondContact O-N 2.89Å; Y1640-T1777 CarbonylContact C-O 3.57Å; Y1640-T1777 VanDerWaalsContact CA-O 3.26Å; Y1640-T1777 WeakPolarHBondContact CA-O 2.95Å; Y1640-T1777 WeakPolarHBondContact CB-O 2.98Å; I1641-T1777 PolarHBondContact N-O 3.46Å; I1665-T1777 HydrophobicContact CB-CG2 4.34Å; I1665-T1777 HydrophobicContact CG2-CG2 4.09Å; V1667-T1777 HydrophobicContact CG2-CG2 3.74Å; Y1763-T1777 HydrophobicContact CE2-CG2 3.72Å; Y1763-T1777 PolarHBondContact OH-OG1 3.09Å; K1767-T1777 WeakPolarHBondContact CE-OG1 3.25Å; K1767-T1777 PolarHBondContact NZ-OG1 2.94Å; T1777-V1779 HydrophobicContact CG2-CG2 3.84Å
1778L98Very high88.9Confident0 Ų028.7 Ų28.70%016%0.155CC..EExtended strand (participates in β ladder)trans-81.1119.2170.6179.263.9000108.9I1641 F1654 M1657 I1658 I1663 I1665 I1666 V1667I1641-L1778 HydrophobicContact CB-CD1 3.81Å; I1641-L1778 HydrophobicContact CG2-CD1 3.48Å; I1641-L1778 VanDerWaalsContact CG2-CD1 3.48Å; F1654-L1778 HydrophobicContact CE1-CD2 4.03Å; F1654-L1778 HydrophobicContact CE2-CD2 3.84Å; F1654-L1778 HydrophobicContact CZ-CD2 3.42Å; F1654-L1778 VanDerWaalsContact CZ-CD2 3.42Å; F1654-L1778 HydrophobicContact CZ-CG 4.44Å; M1657-L1778 HydrophobicContact CE-CD1 3.68Å; M1657-L1778 HydrophobicContact CE-CD2 4.07Å; I1658-L1778 HydrophobicContact CD1-CD2 3.76Å; I1658-L1778 HydrophobicContact CG1-CD2 3.71Å; I1663-L1778 HydrophobicContact CD1-CB 3.77Å; I1663-L1778 HydrophobicContact CD1-CD1 4.23Å; I1663-L1778 HydrophobicContact CD1-CD2 4.16Å; I1663-L1778 HydrophobicContact CD1-CG 4.29Å; I1663-L1778 HydrophobicContact CG1-CB 4.43Å; I1663-L1778 HydrophobicContact CG2-CB 3.7Å; I1665-L1778 PolarHBondContact O-N 2.89Å; I1666-L1778 CarbonylContact C-O 3.47Å; I1666-L1778 WeakPolarHBondContact CA-O 3.44Å; I1666-L1778 HydrophobicContact CG1-CB 4.47Å; I1666-L1778 HydrophobicContact CG1-CD2 4.15Å; I1666-L1778 HydrophobicContact CG2-CD2 4.18Å; I1666-L1778 HydrophobicContact CG2-CG 4.41Å; V1667-L1778 PolarHBondContact N-O 2.87Å
1779V98.3Very high89.5Confident0 Ų025.5 Ų25.50%013%0.134CC..EExtended strand (participates in β ladder)trans-118124.9176.9-170.40000108Y1640 I1641 A1642 S1643 V1667 L1669 T1777 T1788 F1791 I1792Y1640-V1779 HydrophobicContact CD1-CG2 4.36Å; I1641-V1779 PolarHBondContact O-N 3.23Å; A1642-V1779 WeakPolarHBondContact CA-O 3.44Å; S1643-V1779 PolarHBondContact N-O 3.49Å; V1667-V1779 HydrophobicContact CB-CG1 4.23Å; V1667-V1779 HydrophobicContact CB-CG2 4.26Å; V1667-V1779 HydrophobicContact CG1-CG1 4.41Å; V1667-V1779 WeakPolarHBondContact O-CA 3.42Å; L1669-V1779 HydrophobicContact CD1-CG1 3.71Å; L1669-V1779 HydrophobicContact CG-CG1 4.49Å; T1777-V1779 HydrophobicContact CG2-CG2 3.84Å; V1779-T1788 HydrophobicContact CB-CG2 3.9Å; V1779-T1788 HydrophobicContact CG1-CG2 3.78Å; V1779-T1788 VanDerWaalsContact O-CG2 3.32Å; V1779-T1788 WeakPolarHBondContact O-CG2 3.29Å; V1779-F1791 HydrophobicContact CG1-CB 4.2Å; V1779-F1791 HydrophobicContact CG1-CD1 3.94Å; V1779-F1791 HydrophobicContact CG1-CG 4.19Å; V1779-F1791 HydrophobicContact CG2-CD1 3.85Å; V1779-F1791 HydrophobicContact CG2-CE1 4.03Å; V1779-I1792 HydrophobicContact CB-CD1 4.37Å; V1779-I1792 HydrophobicContact CB-CG1 4.42Å; V1779-I1792 HydrophobicContact CG2-CD1 4.4Å; V1779-I1792 HydrophobicContact CG2-CG1 4.09Å
1780H97.4Very high90.3Very high0 Ų024.2 Ų24.20%012%0.12CC..EExtended strand (participates in β ladder)trans-138.4155.3174.982.994000111.8S1643 V1667 M1668 L1669 Y1683 T1788S1643-H1780 WeakPolarHBondContact O-CA 3.45Å; S1643-H1780 WeakPolarHBondContact O-CB 3.22Å; V1667-H1780 PolarHBondContact O-N 3Å; M1668-H1780 WeakPolarHBondContact CB-NE2 3.44Å; M1668-H1780 VanDerWaalsContact CG-CE1 3.49Å; M1668-H1780 WeakPolarHBondContact CG-CE1 3.43Å; M1668-H1780 WeakPolarHBondContact CG-NE2 3.3Å; L1669-H1780 PolarHBondContact N-O 3.25Å; Y1683-H1780 AromaticContact CE1-CE1 3.82Å; Y1683-H1780 AromaticContact CE1-NE2 3.65Å; Y1683-H1780 AromaticContact CZ-NE2 3.64Å; Y1683-H1780 PolarHBondContact OH-NE2 3.04Å; H1780-T1788 WeakPolarHBondContact CA-OG1 3.26Å
1781C93Very high91.7Very high6 Ų620.3 Ų20.34%0.04110%0.102CC..SBendtrans-131.8-134.6167.856.60000106.1A1645 L1669 G1784 R1787 T1788A1645-C1781 WeakPolarHBondContact CA-O 3.41Å; A1645-C1781 WeakPolarHBondContact CB-O 3.33Å; A1645-C1781 PolarHBondContact N-O 2.78Å; A1645-C1781 VanDerWaalsContact N-O 3.14Å; L1669-C1781 HydrophobicContact CB-CB 4.2Å; C1781-G1784 PolarHBondContact SG-N 3.2Å; C1781-R1787 HydrophobicContact CB-CB 3.94Å; C1781-R1787 HydrophobicContact CB-CG 4.42Å; C1781-T1788 PolarHBondContact N-OG1 2.6Å; C1781-T1788 PolarHBondContact SG-OG1 3.06Å
1782T93.1Very high92.8Very high14 Ų1415.7 Ų15.79%0.0867%0.07CC..SBendtrans-74.2-58.9172.6-37.80000111.6F1587 A1645 K1679F1587-T1782 HydrophobicContact CE2-CG2 3.79Å; F1587-T1782 HydrophobicContact CZ-CG2 3.72Å; A1645-T1782 PolarHBondContact N-O 3.48Å; K1679-T1782 HydrophobicContact CB-CG2 4.09Å; K1679-T1782 HydrophobicContact CD-CG2 3.87Å; K1679-T1782 WeakPolarHBondContact O-CG2 3.48Å
1783A92.2Very high93.6Very high12 Ų1213.9 Ų13.910%0.0996%0.063CC..SBendtrans-100.9-13.8-176.400000113.8F1587 I1590 V1785 R1821F1587-A1783 HydrophobicContact CD2-CB 3.66Å; F1587-A1783 HydrophobicContact CE2-CB 3.62Å; I1590-A1783 HydrophobicContact CB-CB 4.48Å; I1590-A1783 HydrophobicContact CG1-CB 4.24Å; I1590-A1783 HydrophobicContact CG2-CB 4.18Å; A1783-V1785 HydrophobicContact CB-CG2 4.09Å; A1783-R1821 PolarHBondContact O-NH2 2.82Å
1784G94.5Very high94.6Very high0 Ų08.5 Ų8.50%04%0.042CC..SBendtrans78.228.4-178.200000114.8S1643 C1781 T1788 R1821S1643-G1784 WeakPolarHBondContact O-CA 3.28Å; C1781-G1784 PolarHBondContact SG-N 3.2Å; G1784-T1788 WeakPolarHBondContact CA-OG1 3.41Å; G1784-R1821 WeakPolarHBondContact O-CD 3.16Å; G1784-R1821 PolarHBondContact O-NE 2.84Å; G1784-R1821 VanDerWaalsContact O-NE 3.08Å
1785V95.4Very high95.3Very high0 Ų03.4 Ų3.40%02%0.022CC..SBendtrans-132.6-48.1-175.4-59.70000114.1I1590 A1783 G1789 R1821 P1822 M1824 V1825 Q1826I1590-V1785 HydrophobicContact CD1-CG2 4.29Å; I1590-V1785 HydrophobicContact CG2-CG1 3.64Å; I1590-V1785 HydrophobicContact CG2-CG2 4.46Å; A1783-V1785 HydrophobicContact CB-CG2 4.09Å; V1785-G1789 WeakPolarHBondContact O-CA 3.23Å; V1785-G1789 PolarHBondContact O-N 2.89Å; V1785-R1821 HydrophobicContact CG1-CG 4.25Å; V1785-P1822 WeakPolarHBondContact CG1-O 3.3Å; V1785-M1824 HydrophobicContact CB-SD 4.31Å; V1785-M1824 HydrophobicContact CG1-SD 4.34Å; V1785-M1824 WeakPolarHBondContact O-CA 3.43Å; V1785-V1825 PolarHBondContact O-N 2.92Å; V1785-Q1826 HydrophobicContact CG2-CB 4.41Å
1786G93.4Very high95.7Very high4 Ų43.3 Ų3.34%0.0412%0.021CC..Hα-helixtrans-74.2-81.7-175.900000113.5T1788 G1789 T1790G1786-T1788 VanDerWaalsContact C-N 3.27Å; G1786-T1788 PolarHBondContact O-N 3.27Å; G1786-G1789 PolarHBondContact O-N 2.79Å; G1786-T1790 PolarHBondContact O-N 3.26Å; G1786-T1790 PolarHBondContact O-OG1 3.41Å
1787R94.1Very high95.8Very high10 Ų102.7 Ų2.74%0.0382%0.017CC..Hα-helixtrans-58.8-41.8178.1-52.8-177.2-164.9169.114.6111L1669 E1674 W1745 D1747 C1781 G1789 T1790 F1791L1669-R1787 HydrophobicContact CB-CB 4Å; L1669-R1787 HydrophobicContact CD1-CB 4.14Å; L1669-R1787 WeakPolarHBondContact CD1-O 3.41Å; L1669-R1787 WeakPolarHBondContact O-CD 3.35Å; L1669-R1787 PolarHBondContact O-NH1 3.28Å; E1674-R1787 VanDerWaalsContact CD-NH2 3.28Å; E1674-R1787 IonicContact OE1-CZ 3.88Å; E1674-R1787 IonicContact OE1-NH1 3.17Å; E1674-R1787 PolarHBondContact OE1-NH1 2.8Å; E1674-R1787 IonicContact OE1-NH2 3.64Å; E1674-R1787 PolarHBondContact OE1-NH2 2.64Å; E1674-R1787 VanDerWaalsContact OE1-NH2 3.09Å; E1674-R1787 IonicContact OE2-CZ 2.7Å; E1674-R1787 IonicContact OE2-NH1 2.65Å; E1674-R1787 IonicContact OE2-NH2 3.99Å; E1674-R1787 PolarHBondContact OE2-NH2 3.08Å; W1745-R1787 HydrophobicContact CD2-CB 4.08Å; W1745-R1787 HydrophobicContact CD2-CG 3.93Å; W1745-R1787 HydrophobicContact CE3-CB 4.11Å; W1745-R1787 HydrophobicContact CE3-CG 4.46Å; W1745-R1787 HydrophobicContact CG-CG 4.31Å; W1745-R1787 HydrophobicContact CH2-CB 3.92Å; W1745-R1787 HydrophobicContact CZ2-CB 3.83Å; W1745-R1787 HydrophobicContact CZ2-CG 3.93Å; W1745-R1787 HydrophobicContact CZ3-CB 4.02Å; W1745-R1787 PolarHBondContact O-NH1 2.91Å; D1747-R1787 IonicContact OD1-CZ 2.7Å; D1747-R1787 IonicContact OD1-NH2 3.8Å; D1747-R1787 PolarHBondContact OD1-NH2 2.64Å; C1781-R1787 HydrophobicContact CB-CB 3.94Å; C1781-R1787 HydrophobicContact CB-CG 4.42Å; R1787-G1789 PolarHBondContact O-N 2.85Å; R1787-T1790 WeakPolarHBondContact O-CB 3.44Å; R1787-T1790 PolarHBondContact O-N 2.86Å; R1787-F1791 PolarHBondContact O-N 3.27Å
1788T96.5Very high95.6Very high0 Ų04.2 Ų4.20%02%0.024CC..Hα-helixtrans-54.5-50.2173.9-61.80000112.7A1642 V1779 H1780 C1781 G1784 G1786 T1790 F1791 I1792 M1824A1642-T1788 HydrophobicContact CB-CG2 3.78Å; V1779-T1788 HydrophobicContact CB-CG2 3.9Å; V1779-T1788 HydrophobicContact CG1-CG2 3.78Å; V1779-T1788 VanDerWaalsContact O-CG2 3.32Å; V1779-T1788 WeakPolarHBondContact O-CG2 3.29Å; H1780-T1788 WeakPolarHBondContact CA-OG1 3.26Å; C1781-T1788 PolarHBondContact N-OG1 2.6Å; C1781-T1788 PolarHBondContact SG-OG1 3.06Å; G1784-T1788 WeakPolarHBondContact CA-OG1 3.41Å; G1786-T1788 VanDerWaalsContact C-N 3.27Å; G1786-T1788 PolarHBondContact O-N 3.27Å; T1788-T1790 VanDerWaalsContact C-N 3.32Å; T1788-T1790 PolarHBondContact O-N 2.92Å; T1788-F1791 PolarHBondContact O-N 3.49Å; T1788-I1792 HydrophobicContact CG2-CD1 4.1Å; T1788-I1792 WeakPolarHBondContact O-CG1 3.46Å; T1788-I1792 PolarHBondContact O-N 2.84Å; T1788-M1824 HydrophobicContact CG2-CE 4.24Å
1789G96.5Very high95.3Very high0 Ų06.3 Ų6.30%04%0.035CC..Hα-helixtrans-66.8-36.4178.400000112.8V1785 G1786 R1787 F1791 I1792 V1793V1785-G1789 WeakPolarHBondContact O-CA 3.23Å; V1785-G1789 PolarHBondContact O-N 2.89Å; G1786-G1789 PolarHBondContact O-N 2.79Å; R1787-G1789 PolarHBondContact O-N 2.85Å; G1789-F1791 PolarHBondContact O-N 2.91Å; G1789-I1792 PolarHBondContact O-N 2.73Å; G1789-V1793 WeakPolarHBondContact O-CG2 3.42Å; G1789-V1793 PolarHBondContact O-N 2.92Å
1790T96.3Very high95Very high0 Ų06.7 Ų6.70%04%0.036CC..Hα-helixtrans-62.5-43.6177.2-50.40000111.3W1745 G1786 R1787 T1788 A1794 Q1830 F1833 L1834W1745-T1790 HydrophobicContact CH2-CG2 3.78Å; W1745-T1790 HydrophobicContact CZ2-CG2 4.03Å; G1786-T1790 PolarHBondContact O-N 3.26Å; G1786-T1790 PolarHBondContact O-OG1 3.41Å; R1787-T1790 WeakPolarHBondContact O-CB 3.44Å; R1787-T1790 PolarHBondContact O-N 2.86Å; T1788-T1790 VanDerWaalsContact C-N 3.32Å; T1788-T1790 PolarHBondContact O-N 2.92Å; T1790-A1794 WeakPolarHBondContact O-CB 3.32Å; T1790-A1794 PolarHBondContact O-N 3.11Å; T1790-A1794 VanDerWaalsContact O-N 3.14Å; T1790-Q1830 HydrophobicContact CG2-CB 4.43Å; T1790-Q1830 WeakPolarHBondContact OG1-CB 3.27Å; T1790-F1833 HydrophobicContact CG2-CD1 3.94Å; T1790-F1833 HydrophobicContact CG2-CE1 4.42Å; T1790-L1834 HydrophobicContact CG2-CD2 4.04Å; T1790-L1834 HydrophobicContact CG2-CG 4.1Å; T1790-L1834 WeakPolarHBondContact O-CD2 3.5Å
1791F97.4Very high94.6Very high0 Ų010.3 Ų10.30%05%0.052CC..Hα-helixtrans-60-48.1175179.6-82.5000112.5V1667 L1669 F1756 L1759 M1760 Y1763 V1779 R1787 T1788 G1789 V1793 A1794 D1795V1667-F1791 HydrophobicContact CB-CE1 4.49Å; V1667-F1791 HydrophobicContact CB-CZ 4.33Å; V1667-F1791 HydrophobicContact CG1-CD2 3.9Å; V1667-F1791 HydrophobicContact CG1-CE1 4.32Å; V1667-F1791 HydrophobicContact CG1-CE2 3.64Å; V1667-F1791 HydrophobicContact CG1-CG 4.36Å; V1667-F1791 HydrophobicContact CG1-CZ 3.89Å; V1667-F1791 HydrophobicContact CG2-CE1 4.09Å; V1667-F1791 HydrophobicContact CG2-CE2 4.35Å; V1667-F1791 HydrophobicContact CG2-CZ 3.78Å; L1669-F1791 HydrophobicContact CD1-CB 3.61Å; L1669-F1791 HydrophobicContact CD1-CD2 4.42Å; L1669-F1791 HydrophobicContact CD1-CG 4.18Å; L1669-F1791 HydrophobicContact CD2-CD2 4.15Å; F1756-F1791 HydrophobicContact CE2-CD2 4.23Å; F1756-F1791 HydrophobicContact CZ-CD2 4.3Å; L1759-F1791 HydrophobicContact CD2-CD2 4.45Å; L1759-F1791 HydrophobicContact CD2-CE2 4.22Å; M1760-F1791 HydrophobicContact CE-CD2 3.43Å; M1760-F1791 VanDerWaalsContact CE-CD2 3.43Å; M1760-F1791 HydrophobicContact CE-CE2 3.19Å; M1760-F1791 HydrophobicContact CE-CG 4.38Å; M1760-F1791 HydrophobicContact CE-CZ 4.01Å; M1760-F1791 HydrophobicContact SD-CD2 4.22Å; M1760-F1791 HydrophobicContact SD-CE2 3.7Å; M1760-F1791 HydrophobicContact SD-CZ 3.87Å; Y1763-F1791 HydrophobicContact CD1-CE1 4.45Å; Y1763-F1791 AromaticContact CD1-CZ 3.72Å; Y1763-F1791 HydrophobicContact CD1-CZ 3.72Å; Y1763-F1791 HydrophobicContact CD2-CZ 4.08Å; Y1763-F1791 HydrophobicContact CE1-CE1 4.09Å; Y1763-F1791 AromaticContact CE1-CZ 3.82Å; Y1763-F1791 HydrophobicContact CE1-CZ 3.82Å; Y1763-F1791 HydrophobicContact CE2-CE1 4.48Å; Y1763-F1791 HydrophobicContact CE2-CZ 4.17Å; Y1763-F1791 AromaticContact CG-CZ 3.85Å; Y1763-F1791 HydrophobicContact CG-CZ 3.85Å; V1779-F1791 HydrophobicContact CG1-CB 4.2Å; V1779-F1791 HydrophobicContact CG1-CD1 3.94Å; V1779-F1791 HydrophobicContact CG1-CG 4.19Å; V1779-F1791 HydrophobicContact CG2-CD1 3.85Å; V1779-F1791 HydrophobicContact CG2-CE1 4.03Å; R1787-F1791 PolarHBondContact O-N 3.27Å; T1788-F1791 PolarHBondContact O-N 3.49Å; G1789-F1791 PolarHBondContact O-N 2.91Å; F1791-V1793 PolarHBondContact O-N 2.86Å; F1791-A1794 PolarHBondContact O-N 2.89Å; F1791-D1795 PolarHBondContact O-N 2.94Å
1792I98Very high94.3Very high0 Ų014.7 Ų14.70%07%0.072CC..Hα-helixtrans-64.7-41.6-176.7-66.5168.6000111.4I1618 Y1640 V1779 T1788 G1789 A1794 D1795 L1796 M1817 M1824I1618-I1792 HydrophobicContact CG1-CD1 4.1Å; I1618-I1792 HydrophobicContact CG2-CG2 4.43Å; Y1640-I1792 HydrophobicContact CD1-CG1 4.01Å; Y1640-I1792 HydrophobicContact CD1-CG2 4.47Å; Y1640-I1792 HydrophobicContact CD2-CG1 4.48Å; Y1640-I1792 HydrophobicContact CD2-CG2 3.69Å; Y1640-I1792 HydrophobicContact CE1-CG1 4.47Å; Y1640-I1792 HydrophobicContact CE1-CG2 4.47Å; Y1640-I1792 HydrophobicContact CE2-CG2 3.7Å; Y1640-I1792 HydrophobicContact CG-CD1 4.15Å; Y1640-I1792 HydrophobicContact CG-CG1 4.04Å; Y1640-I1792 HydrophobicContact CG-CG2 4.12Å; V1779-I1792 HydrophobicContact CB-CD1 4.37Å; V1779-I1792 HydrophobicContact CB-CG1 4.42Å; V1779-I1792 HydrophobicContact CG2-CD1 4.4Å; V1779-I1792 HydrophobicContact CG2-CG1 4.09Å; T1788-I1792 HydrophobicContact CG2-CD1 4.1Å; T1788-I1792 WeakPolarHBondContact O-CG1 3.46Å; T1788-I1792 PolarHBondContact O-N 2.84Å; G1789-I1792 PolarHBondContact O-N 2.73Å; I1792-A1794 VanDerWaalsContact C-N 3.34Å; I1792-A1794 PolarHBondContact O-N 3.34Å; I1792-D1795 PolarHBondContact O-N 3.16Å; I1792-L1796 HydrophobicContact CG2-CD1 4.08Å; I1792-L1796 WeakPolarHBondContact O-CG 3.45Å; I1792-L1796 PolarHBondContact O-N 3.23Å; I1792-M1817 HydrophobicContact CB-CE 3.59Å; I1792-M1817 HydrophobicContact CB-SD 4.34Å; I1792-M1817 HydrophobicContact CD1-CE 4.21Å; I1792-M1817 HydrophobicContact CG1-CE 4.5Å; I1792-M1817 HydrophobicContact CG2-CE 3.51Å; I1792-M1817 HydrophobicContact CG2-SD 3.8Å; I1792-M1824 HydrophobicContact CD1-CE 3.9Å
1793V97.6Very high94Very high0 Ų017.8 Ų17.80%09%0.094CC..Hα-helixtrans-64.3-40.8176.7-179.90000111.1G1789 F1791 L1796 L1797 I1810 I1813 I1814 M1817 V1825 L1834G1789-V1793 WeakPolarHBondContact O-CG2 3.42Å; G1789-V1793 PolarHBondContact O-N 2.92Å; F1791-V1793 PolarHBondContact O-N 2.86Å; V1793-L1796 PolarHBondContact O-N 3.14Å; V1793-L1797 HydrophobicContact CG1-CD1 4.11Å; V1793-L1797 HydrophobicContact CG1-CG 4.39Å; V1793-L1797 VanDerWaalsContact O-CG 3.31Å; V1793-L1797 WeakPolarHBondContact O-CG 3.34Å; V1793-L1797 PolarHBondContact O-N 2.93Å; V1793-I1810 HydrophobicContact CG1-CG2 4.28Å; V1793-I1813 HydrophobicContact CG1-CG2 4.26Å; V1793-I1813 HydrophobicContact CG2-CG2 4.18Å; V1793-I1814 HydrophobicContact CG2-CG1 3.75Å; V1793-M1817 HydrophobicContact CG2-CE 4.17Å; V1793-M1817 HydrophobicContact CG2-SD 3.38Å; V1793-M1817 WeakPolarHBondContact CG2-SD 3.3Å; V1793-V1825 HydrophobicContact CG2-CG2 4.05Å; V1793-L1834 HydrophobicContact CB-CD1 3.84Å; V1793-L1834 HydrophobicContact CB-CD2 3.77Å; V1793-L1834 HydrophobicContact CB-CG 4.46Å; V1793-L1834 HydrophobicContact CG1-CD1 3.81Å; V1793-L1834 HydrophobicContact CG1-CD2 3.85Å; V1793-L1834 HydrophobicContact CG1-CG 4.36Å; V1793-L1834 HydrophobicContact CG2-CD1 4.16Å
1794A97Very high93.6Very high0 Ų023.6 Ų23.60%012%0.123CC..Hα-helixtrans-63.2-42.8177.700000112.4F1756 T1790 F1791 I1792 L1797 Q1798 L1834 F1837F1756-A1794 HydrophobicContact CE1-CB 3.58Å; F1756-A1794 HydrophobicContact CZ-CB 3.96Å; T1790-A1794 WeakPolarHBondContact O-CB 3.32Å; T1790-A1794 PolarHBondContact O-N 3.11Å; T1790-A1794 VanDerWaalsContact O-N 3.14Å; F1791-A1794 PolarHBondContact O-N 2.89Å; I1792-A1794 VanDerWaalsContact C-N 3.34Å; I1792-A1794 PolarHBondContact O-N 3.34Å; A1794-L1797 PolarHBondContact O-N 2.89Å; A1794-Q1798 PolarHBondContact O-N 2.85Å; A1794-L1834 HydrophobicContact CB-CD2 4.15Å; A1794-F1837 HydrophobicContact CB-CD1 3.97Å; A1794-F1837 HydrophobicContact CB-CE1 3.8Å; A1794-F1837 HydrophobicContact CB-CZ 4.19Å
1795D96.2Very high93Very high2 Ų224.7 Ų24.71%0.01113%0.131CC..Hα-helixtrans-60.7-44.2174.5-17431000111.4Y1640 M1760 Y1763 R1764 F1791 I1792 L1797 Q1798 I1799Y1640-D1795 WeakPolarHBondContact CE1-OD2 3.46Å; Y1640-D1795 VanDerWaalsContact CZ-OD2 3.28Å; Y1640-D1795 PolarHBondContact OH-OD2 2.62Å; M1760-D1795 HydrophobicContact SD-CB 4.34Å; Y1763-D1795 HydrophobicContact CE1-CB 4.43Å; Y1763-D1795 PolarHBondContact OH-OD2 3.18Å; R1764-D1795 WeakPolarHBondContact CD-OD1 3.38Å; R1764-D1795 IonicContact CZ-OD1 2.74Å; R1764-D1795 IonicContact NE-OD1 3.82Å; R1764-D1795 IonicContact NH1-OD1 2.7Å; R1764-D1795 PolarHBondContact NH1-OD1 2.83Å; R1764-D1795 IonicContact NH1-OD2 3.6Å; F1791-D1795 PolarHBondContact O-N 2.94Å; I1792-D1795 PolarHBondContact O-N 3.16Å; D1795-L1797 PolarHBondContact O-N 3.28Å; D1795-Q1798 PolarHBondContact O-N 2.91Å; D1795-I1799 VanDerWaalsContact O-CG1 3.3Å; D1795-I1799 WeakPolarHBondContact O-CG1 3.4Å; D1795-I1799 PolarHBondContact O-N 3.17Å
1796L95.5Very high92.5Very high8 Ų828.6 Ų28.64%0.04216%0.155CC..Hα-helixtrans-60.9-43175.7-73.1168.7000112.6I1621 Y1640 I1792 V1793 Q1798 I1799 Y1800 I1813 M1817I1621-L1796 HydrophobicContact CB-CD1 4.48Å; I1621-L1796 HydrophobicContact CD1-CD1 3.9Å; Y1640-L1796 HydrophobicContact CE2-CD2 4.33Å; Y1640-L1796 HydrophobicContact CE2-CG 4.42Å; I1792-L1796 HydrophobicContact CG2-CD1 4.08Å; I1792-L1796 WeakPolarHBondContact O-CG 3.45Å; I1792-L1796 PolarHBondContact O-N 3.23Å; V1793-L1796 PolarHBondContact O-N 3.14Å; L1796-Q1798 VanDerWaalsContact C-N 3.27Å; L1796-Q1798 PolarHBondContact O-N 2.82Å; L1796-I1799 HydrophobicContact CD2-CD1 4.23Å; L1796-I1799 WeakPolarHBondContact O-CB 3.44Å; L1796-I1799 PolarHBondContact O-N 3.25Å; L1796-Y1800 HydrophobicContact CD2-CE1 4.41Å; L1796-Y1800 WeakPolarHBondContact O-CB 2.99Å; L1796-Y1800 WeakPolarHBondContact O-CD1 3.24Å; L1796-Y1800 PolarHBondContact O-N 2.87Å; L1796-I1813 HydrophobicContact CD1-CG2 3.6Å; L1796-M1817 HydrophobicContact CD1-SD 4.38Å
1797L94.8Very high92.3Very high0 Ų031.1 Ų31.10%016%0.163CC..Hα-helixtrans-61.3-39176.2-71.1167.7000111.8V1793 A1794 D1795 Y1800 K1801 Y1808 I1810 I1813 A1838 L1841 F1842V1793-L1797 HydrophobicContact CG1-CD1 4.11Å; V1793-L1797 HydrophobicContact CG1-CG 4.39Å; V1793-L1797 VanDerWaalsContact O-CG 3.31Å; V1793-L1797 WeakPolarHBondContact O-CG 3.34Å; V1793-L1797 PolarHBondContact O-N 2.93Å; A1794-L1797 PolarHBondContact O-N 2.89Å; D1795-L1797 PolarHBondContact O-N 3.28Å; L1797-Y1800 PolarHBondContact O-N 3.29Å; L1797-K1801 WeakPolarHBondContact O-CB 3.18Å; L1797-K1801 PolarHBondContact O-N 2.84Å; L1797-Y1808 HydrophobicContact CD2-CD1 4.16Å; L1797-I1810 HydrophobicContact CD1-CD1 4.1Å; L1797-I1810 HydrophobicContact CD1-CG1 4.13Å; L1797-I1810 HydrophobicContact CD2-CG1 3.93Å; L1797-I1813 HydrophobicContact CD2-CD1 4.19Å; L1797-A1838 HydrophobicContact CD1-CB 4.1Å; L1797-L1841 HydrophobicContact CB-CD2 4.2Å; L1797-F1842 HydrophobicContact CD2-CZ 4.39Å
1798Q92.9Very high92.1Very high32 Ų3230.8 Ų30.815%0.1516%0.162CC..Hα-helixtrans-68-42.9175.4-170.8139.313.200112.1R1764 A1794 D1795 L1796 Y1800 K1801 E1802 L1841R1764-Q1798 HydrophobicContact CG-CG 4.3Å; A1794-Q1798 PolarHBondContact O-N 2.85Å; D1795-Q1798 PolarHBondContact O-N 2.91Å; L1796-Q1798 VanDerWaalsContact C-N 3.27Å; L1796-Q1798 PolarHBondContact O-N 2.82Å; Q1798-Y1800 VanDerWaalsContact C-N 3.33Å; Q1798-Y1800 PolarHBondContact O-N 3.41Å; Q1798-K1801 PolarHBondContact O-N 2.87Å; Q1798-E1802 VanDerWaalsContact CG-OE1 3.26Å; Q1798-E1802 WeakPolarHBondContact CG-OE1 3.18Å; Q1798-E1802 WeakPolarHBondContact O-CB 3.31Å; Q1798-E1802 VanDerWaalsContact O-CG 3.29Å; Q1798-E1802 WeakPolarHBondContact O-CG 3.37Å; Q1798-E1802 PolarHBondContact O-N 2.83Å; Q1798-L1841 HydrophobicContact CB-CD2 4.34Å; Q1798-L1841 HydrophobicContact CG-CD1 4.46Å
1799I91.1Very high92Very high44 Ų4431.1 Ų31.123%0.22616%0.164CC..Hα-helixtrans-55.2-49.2172-67.8161.3000110.7D1795 L1796 K1801 E1802 S1803D1795-I1799 VanDerWaalsContact O-CG1 3.3Å; D1795-I1799 WeakPolarHBondContact O-CG1 3.4Å; D1795-I1799 PolarHBondContact O-N 3.17Å; L1796-I1799 HydrophobicContact CD2-CD1 4.23Å; L1796-I1799 WeakPolarHBondContact O-CB 3.44Å; L1796-I1799 PolarHBondContact O-N 3.25Å; I1799-K1801 VanDerWaalsContact C-N 3.33Å; I1799-K1801 PolarHBondContact O-N 2.85Å; I1799-E1802 PolarHBondContact O-N 2.98Å; I1799-S1803 VanDerWaalsContact O-CB 3.29Å; I1799-S1803 WeakPolarHBondContact O-CB 3.37Å; I1799-S1803 PolarHBondContact O-N 2.86Å; I1799-S1803 PolarHBondContact O-OG 2.98Å
1800Y92.6Very high91.9Very high8 Ų831.2 Ų31.23%0.03116%0.164CC..Hα-helixtrans-65.6-39.7-176.8-65.6-7.5000111.3I1621 P1623 L1796 L1797 Q1798 S1803 N1804 C1805 I1813I1621-Y1800 VanDerWaalsContact C-OH 3.28Å; I1621-Y1800 WeakPolarHBondContact CG2-OH 3.48Å; I1621-Y1800 PolarHBondContact O-OH 3.39Å; P1623-Y1800 HydrophobicContact CB-CD1 3.84Å; P1623-Y1800 HydrophobicContact CB-CD2 3.97Å; P1623-Y1800 HydrophobicContact CB-CE1 3.78Å; P1623-Y1800 HydrophobicContact CB-CE2 3.88Å; P1623-Y1800 HydrophobicContact CB-CG 3.95Å; P1623-Y1800 HydrophobicContact CG-CD1 4.04Å; P1623-Y1800 HydrophobicContact CG-CE1 3.97Å; L1796-Y1800 HydrophobicContact CD2-CE1 4.41Å; L1796-Y1800 WeakPolarHBondContact O-CB 2.99Å; L1796-Y1800 WeakPolarHBondContact O-CD1 3.24Å; L1796-Y1800 PolarHBondContact O-N 2.87Å; L1797-Y1800 PolarHBondContact O-N 3.29Å; Q1798-Y1800 VanDerWaalsContact C-N 3.33Å; Q1798-Y1800 PolarHBondContact O-N 3.41Å; Y1800-S1803 CarbonylContact O-C 3.49Å; Y1800-S1803 PolarHBondContact O-N 2.89Å; Y1800-N1804 PolarHBondContact O-N 3.01Å; Y1800-C1805 VanDerWaalsContact O-CB 3.27Å; Y1800-C1805 WeakPolarHBondContact O-CB 3.47Å; Y1800-C1805 PolarHBondContact O-N 2.85Å; Y1800-I1813 HydrophobicContact CD2-CD1 4.19Å; Y1800-I1813 HydrophobicContact CE2-CD1 3.62Å; Y1800-I1813 HydrophobicContact CE2-CG1 4.07Å
1801K88.6Confident91.8Very high76 Ų7631.4 Ų31.433%0.3317%0.166SC..Hα-helixtrans-63.2-47.4174.8179.556.1175.9148.40112.3L1797 Q1798 I1799 S1803 N1804 Y1808 L1841 F1842L1797-K1801 WeakPolarHBondContact O-CB 3.18Å; L1797-K1801 PolarHBondContact O-N 2.84Å; Q1798-K1801 PolarHBondContact O-N 2.87Å; I1799-K1801 VanDerWaalsContact C-N 3.33Å; I1799-K1801 PolarHBondContact O-N 2.85Å; K1801-S1803 PolarHBondContact O-N 3.03Å; K1801-N1804 PolarHBondContact O-N 2.92Å; K1801-N1804 VanDerWaalsContact O-N 3.16Å; K1801-Y1808 WeakPolarHBondContact CA-OH 3.27Å; K1801-L1841 HydrophobicContact CB-CD2 4.05Å; K1801-L1841 HydrophobicContact CB-CG 4.31Å; K1801-L1841 HydrophobicContact CG-CD1 4.39Å; K1801-L1841 HydrophobicContact CG-CD2 4.44Å; K1801-L1841 HydrophobicContact CG-CG 4.14Å; K1801-F1842 HydrophobicContact CB-CE1 4.43Å; K1801-F1842 HydrophobicContact CD-CD1 4.19Å
1802E86.6Confident91.6Very high99 Ų9931.6 Ų31.646%0.46317%0.167SC..Hα-helixtrans-64.1-29.5177-71.8167.5-172.500112.3R1764 Q1798 I1799 N1804R1764-E1802 IonicContact CZ-OE2 3.96Å; R1764-E1802 IonicContact NE-OE1 2.74Å; R1764-E1802 IonicContact NE-OE2 3.5Å; R1764-E1802 IonicContact NH2-OE2 2.73Å; R1764-E1802 PolarHBondContact NH2-OE2 2.62Å; Q1798-E1802 VanDerWaalsContact CG-OE1 3.26Å; Q1798-E1802 WeakPolarHBondContact CG-OE1 3.18Å; Q1798-E1802 WeakPolarHBondContact O-CB 3.31Å; Q1798-E1802 VanDerWaalsContact O-CG 3.29Å; Q1798-E1802 WeakPolarHBondContact O-CG 3.37Å; Q1798-E1802 PolarHBondContact O-N 2.83Å; I1799-E1802 PolarHBondContact O-N 2.98Å; E1802-N1804 PolarHBondContact O-N 3.06Å
1803S85.8Confident91.4Very high78 Ų7831.6 Ų31.655%0.54517%0.167SC..THydrogen-bonded Turntrans-859.6177.4-52.50000113.5I1799 Y1800 K1801 C1805I1799-S1803 VanDerWaalsContact O-CB 3.29Å; I1799-S1803 WeakPolarHBondContact O-CB 3.37Å; I1799-S1803 PolarHBondContact O-N 2.86Å; I1799-S1803 PolarHBondContact O-OG 2.98Å; Y1800-S1803 CarbonylContact O-C 3.49Å; Y1800-S1803 PolarHBondContact O-N 2.89Å; K1801-S1803 PolarHBondContact O-N 3.03Å; S1803-C1805 PolarHBondContact O-N 3.13Å
1804N83.9Confident91.4Very high134 Ų13431.6 Ų31.672%0.71717%0.167SC*.THydrogen-bonded Turntrans53.935.3-176.3-68.1-40.8000114.1Y1800 K1801 E1802 V1806Y1800-N1804 PolarHBondContact O-N 3.01Å; K1801-N1804 PolarHBondContact O-N 2.92Å; K1801-N1804 VanDerWaalsContact O-N 3.16Å; E1802-N1804 PolarHBondContact O-N 3.06Å; N1804-V1806 PolarHBondContact O-N 2.99Å
1805C83.5Confident91.2Very high23 Ų2332.2 Ų32.216%0.15517%0.171CC..  trans-60.6134.7171.3-76.10000110.4P1623 Y1800 S1803 Y1808P1623-C1805 VanDerWaalsContact CB-SG 3.51Å; P1623-C1805 WeakPolarHBondContact CG-SG 3.41Å; Y1800-C1805 VanDerWaalsContact O-CB 3.27Å; Y1800-C1805 WeakPolarHBondContact O-CB 3.47Å; Y1800-C1805 PolarHBondContact O-N 2.85Å; S1803-C1805 PolarHBondContact O-N 3.13Å; C1805-Y1808 WeakPolarHBondContact O-CE2 3.4Å; C1805-Y1808 VanDerWaalsContact O-CZ 3.29Å; C1805-Y1808 PolarHBondContact O-OH 2.72Å
1806V83.7Confident91.1Very high82 Ų8233.4 Ų33.450%0.49718%0.176SC..SBendtrans-83.7-31.6-179.4-178.90000110.9T1532 N1804T1532-V1806 WeakPolarHBondContact CA-O 3.36Å; T1532-V1806 HydrophobicContact CG2-CG1 4.27Å; N1804-V1806 PolarHBondContact O-N 2.99Å
1807Y89.2Confident91.1Very high57 Ų5733 Ų3322%0.22417%0.174CC..EExtended strand (participates in β ladder)trans-120.3137.1-171.3-55.8-73.5000111.9V1531 T1532 T1625 S1626 V1627V1531-Y1807 WeakPolarHBondContact O-CA 3.31Å; T1532-Y1807 HydrophobicContact CG2-CD1 4.02Å; T1532-Y1807 HydrophobicContact CG2-CE1 3.79Å; T1625-Y1807 WeakPolarHBondContact O-CE2 3.26Å; S1626-Y1807 VanDerWaalsContact CA-CD2 3.46Å; V1627-Y1807 HydrophobicContact CB-CE1 4.33Å; V1627-Y1807 HydrophobicContact CG1-CD1 3.68Å; V1627-Y1807 HydrophobicContact CG1-CE1 3.18Å
1808Y91.2Very high91.1Very high4 Ų433.6 Ų33.62%0.01618%0.176CC..EExtended strand (participates in β ladder)trans-128136.1-177-61-95.9000110.4P1530 V1531 T1533 L1797 K1801 C1805 F1842P1530-Y1808 WeakPolarHBondContact CA-O 3.39Å; V1531-Y1808 PolarHBondContact N-O 3.05Å; V1531-Y1808 PolarHBondContact O-N 3.47Å; T1533-Y1808 HydrophobicContact CG2-CD2 4.28Å; T1533-Y1808 HydrophobicContact CG2-CE2 3.64Å; L1797-Y1808 HydrophobicContact CD2-CD1 4.16Å; K1801-Y1808 WeakPolarHBondContact CA-OH 3.27Å; C1805-Y1808 WeakPolarHBondContact O-CE2 3.4Å; C1805-Y1808 VanDerWaalsContact O-CZ 3.29Å; C1805-Y1808 PolarHBondContact O-OH 2.72Å; Y1808-F1842 AromaticContact CD1-CE1 3.76Å; Y1808-F1842 HydrophobicContact CD1-CE1 3.76Å; Y1808-F1842 HydrophobicContact CD1-CE2 4.23Å; Y1808-F1842 AromaticContact CD1-CZ 3.3Å; Y1808-F1842 HydrophobicContact CD1-CZ 3.3Å; Y1808-F1842 HydrophobicContact CD2-CE2 4.45Å; Y1808-F1842 HydrophobicContact CD2-CZ 4.15Å; Y1808-F1842 AromaticContact CE1-CE1 3.44Å; Y1808-F1842 HydrophobicContact CE1-CE1 3.44Å; Y1808-F1842 VanDerWaalsContact CE1-CE1 3.44Å; Y1808-F1842 AromaticContact CE1-CZ 3.53Å; Y1808-F1842 HydrophobicContact CE1-CZ 3.53Å; Y1808-F1842 HydrophobicContact CE2-CE1 4.41Å; Y1808-F1842 HydrophobicContact CE2-CZ 4.4Å; Y1808-F1842 HydrophobicContact CG-CE1 4.33Å; Y1808-F1842 HydrophobicContact CG-CE2 4.12Å; Y1808-F1842 AromaticContact CG-CZ 3.63Å; Y1808-F1842 HydrophobicContact CG-CZ 3.63Å; Y1808-F1842 AromaticContact CZ-CE1 3.82Å
1809D93.1Very high91.1Very high6 Ų635 Ų353%0.03218%0.18CC..  trans-142.782.5-178.8-179.17.1000110.5P1530 H1630 P1631 P1811 G1812 I1813P1530-D1809 HydrophobicContact CB-CB 4.21Å; P1530-D1809 HydrophobicContact CG-CB 4.11Å; H1630-D1809 IonicContact CE1-OD2 3.44Å; H1630-D1809 IonicContact CG-OD2 3.32Å; H1630-D1809 IonicContact ND1-OD2 2.68Å; H1630-D1809 PolarHBondContact ND1-OD2 3.33Å; P1631-D1809 VanDerWaalsContact CD-OD2 3.29Å; P1631-D1809 WeakPolarHBondContact CD-OD2 3.34Å; P1631-D1809 HydrophobicContact CG-CB 4.02Å; D1809-P1811 VanDerWaalsContact OD1-CD 3.27Å; D1809-P1811 WeakPolarHBondContact OD1-CD 3.39Å; D1809-P1811 WeakPolarHBondContact OD1-CG 3.34Å; D1809-G1812 PolarHBondContact O-N 3.1Å; D1809-G1812 PolarHBondContact OD1-N 2.98Å; D1809-G1812 WeakPolarHBondContact OD2-CA 3.3Å; D1809-I1813 VanDerWaalsContact O-CG1 3.25Å; D1809-I1813 WeakPolarHBondContact O-CG1 3.44Å; D1809-I1813 PolarHBondContact O-N 3.04Å
1810I95.3Very high91.3Very high2 Ų232.9 Ų32.91%0.0117%0.169CC..Hα-helixtrans-54.4-49.5176-60.5178000111.8F1536 V1793 L1797 G1812 I1813 I1814 Y1831 L1834 A1838F1536-I1810 HydrophobicContact CE2-CD1 3.68Å; F1536-I1810 HydrophobicContact CE2-CG1 4.35Å; F1536-I1810 HydrophobicContact CZ-CD1 3.67Å; V1793-I1810 HydrophobicContact CG1-CG2 4.28Å; L1797-I1810 HydrophobicContact CD1-CD1 4.1Å; L1797-I1810 HydrophobicContact CD1-CG1 4.13Å; L1797-I1810 HydrophobicContact CD2-CG1 3.93Å; I1810-G1812 PolarHBondContact O-N 3.45Å; I1810-I1813 PolarHBondContact O-N 3.38Å; I1810-I1814 HydrophobicContact CG2-CD1 4.04Å; I1810-I1814 WeakPolarHBondContact O-CG1 3.43Å; I1810-I1814 PolarHBondContact O-N 2.81Å; I1810-I1814 VanDerWaalsContact O-N 3.13Å; I1810-Y1831 HydrophobicContact CG2-CD2 4.47Å; I1810-Y1831 HydrophobicContact CG2-CE2 3.86Å; I1810-L1834 HydrophobicContact CG2-CB 4.37Å; I1810-A1838 HydrophobicContact CD1-CB 3.88Å
1811P93.6Very high91.4Very high5 Ų532.5 Ų32.53%0.03217%0.168CC..Hα-helixtrans-59.8-42177.75.3-11.9000113.8W1527 P1528 I1558 D1809 I1814 L1815W1527-P1811 HydrophobicContact CH2-CB 3.31Å; W1527-P1811 HydrophobicContact CH2-CG 4.38Å; W1527-P1811 HydrophobicContact CZ2-CB 3.38Å; W1527-P1811 HydrophobicContact CZ3-CB 4.28Å; P1528-P1811 HydrophobicContact CB-CG 3.92Å; P1528-P1811 HydrophobicContact CG-CB 4.48Å; P1528-P1811 HydrophobicContact CG-CG 3.86Å; I1558-P1811 HydrophobicContact CD1-CB 4.16Å; I1558-P1811 HydrophobicContact CG1-CB 4.3Å; D1809-P1811 VanDerWaalsContact OD1-CD 3.27Å; D1809-P1811 WeakPolarHBondContact OD1-CD 3.39Å; D1809-P1811 WeakPolarHBondContact OD1-CG 3.34Å; P1811-I1814 PolarHBondContact O-N 3.35Å; P1811-L1815 PolarHBondContact O-N 2.7Å
1812G92.4Very high91.6Very high3 Ų329.4 Ų29.43%0.03116%0.156CC..Hα-helixtrans-62.3-42.5176.100000113.2D1809 I1810 I1814 L1815 Q1816D1809-G1812 PolarHBondContact O-N 3.1Å; D1809-G1812 PolarHBondContact OD1-N 2.98Å; D1809-G1812 WeakPolarHBondContact OD2-CA 3.3Å; I1810-G1812 PolarHBondContact O-N 3.45Å; G1812-I1814 VanDerWaalsContact C-N 3.34Å; G1812-I1814 PolarHBondContact O-N 2.92Å; G1812-L1815 PolarHBondContact O-N 3.26Å; G1812-Q1816 WeakPolarHBondContact O-CG 3.3Å; G1812-Q1816 PolarHBondContact O-N 2.75Å; G1812-Q1816 VanDerWaalsContact O-N 3.1Å
1813I95.4Very high91.9Very high0 Ų026.9 Ų26.90%015%0.149CC..Hα-helixtrans-58.4-47.4174.8-65.7165.1000110.4I1621 P1631 V1793 L1796 L1797 Y1800 D1809 I1810 L1815 Q1816 M1817I1621-I1813 HydrophobicContact CD1-CG2 4.07Å; P1631-I1813 HydrophobicContact CB-CG1 4.37Å; P1631-I1813 HydrophobicContact CG-CG1 3.99Å; V1793-I1813 HydrophobicContact CG1-CG2 4.26Å; V1793-I1813 HydrophobicContact CG2-CG2 4.18Å; L1796-I1813 HydrophobicContact CD1-CG2 3.6Å; L1797-I1813 HydrophobicContact CD2-CD1 4.19Å; Y1800-I1813 HydrophobicContact CD2-CD1 4.19Å; Y1800-I1813 HydrophobicContact CE2-CD1 3.62Å; Y1800-I1813 HydrophobicContact CE2-CG1 4.07Å; D1809-I1813 VanDerWaalsContact O-CG1 3.25Å; D1809-I1813 WeakPolarHBondContact O-CG1 3.44Å; D1809-I1813 PolarHBondContact O-N 3.04Å; I1810-I1813 PolarHBondContact O-N 3.38Å; I1813-L1815 VanDerWaalsContact C-N 3.32Å; I1813-L1815 PolarHBondContact O-N 2.89Å; I1813-Q1816 PolarHBondContact O-N 3.32Å; I1813-M1817 HydrophobicContact CG2-SD 4.14Å; I1813-M1817 WeakPolarHBondContact O-CG 3.41Å; I1813-M1817 PolarHBondContact O-N 2.86Å
1814I96.8Very high92.3Very high0 Ų023.1 Ų23.10%012%0.123CC..Hα-helixtrans-64.5-38.2-178.7-65.4170.6000111.1I1558 V1793 I1810 P1811 G1812 M1817 R1818 V1825 Y1831 L1834I1558-I1814 HydrophobicContact CD1-CB 4.43Å; I1558-I1814 HydrophobicContact CD1-CD1 4.07Å; I1558-I1814 HydrophobicContact CD1-CG2 4.43Å; I1558-I1814 HydrophobicContact CG2-CB 4.38Å; I1558-I1814 HydrophobicContact CG2-CG2 3.61Å; V1793-I1814 HydrophobicContact CG2-CG1 3.75Å; I1810-I1814 HydrophobicContact CG2-CD1 4.04Å; I1810-I1814 WeakPolarHBondContact O-CG1 3.43Å; I1810-I1814 PolarHBondContact O-N 2.81Å; I1810-I1814 VanDerWaalsContact O-N 3.13Å; P1811-I1814 PolarHBondContact O-N 3.35Å; G1812-I1814 VanDerWaalsContact C-N 3.34Å; G1812-I1814 PolarHBondContact O-N 2.92Å; I1814-M1817 PolarHBondContact O-N 2.88Å; I1814-R1818 HydrophobicContact CG2-CG 4.33Å; I1814-R1818 WeakPolarHBondContact O-CB 3.42Å; I1814-R1818 WeakPolarHBondContact O-CG 3.29Å; I1814-R1818 PolarHBondContact O-N 3.34Å; I1814-V1825 HydrophobicContact CD1-CB 4.19Å; I1814-V1825 HydrophobicContact CD1-CG1 4.3Å; I1814-V1825 HydrophobicContact CD1-CG2 3.99Å; I1814-V1825 HydrophobicContact CG1-CG2 4.05Å; I1814-V1825 HydrophobicContact CG2-CB 4.36Å; I1814-V1825 HydrophobicContact CG2-CG2 4.46Å; I1814-Y1831 HydrophobicContact CD1-CD2 3.46Å; I1814-Y1831 VanDerWaalsContact CD1-CD2 3.46Å; I1814-Y1831 HydrophobicContact CD1-CE2 3.57Å; I1814-L1834 HydrophobicContact CD1-CD1 4.11Å
1815L93.3Very high92.9Very high14 Ų1416.8 Ų16.87%0.0739%0.089CC..Hα-helixtrans-62.2-43.6175.2-78.4176.1000112.4W1527 I1558 N1561 L1565 P1811 G1812 I1813 M1817 R1818 R1819W1527-L1815 VanDerWaalsContact CE2-CD1 3.44Å; W1527-L1815 HydrophobicContact CZ2-CD1 3.39Å; W1527-L1815 HydrophobicContact CZ2-CG 4.01Å; I1558-L1815 HydrophobicContact CG2-CD2 4.36Å; N1561-L1815 HydrophobicContact CB-CD1 4.25Å; N1561-L1815 HydrophobicContact CB-CD2 3.76Å; L1565-L1815 HydrophobicContact CD1-CB 4.04Å; L1565-L1815 HydrophobicContact CD1-CD2 3.89Å; L1565-L1815 HydrophobicContact CD1-CG 4.42Å; P1811-L1815 PolarHBondContact O-N 2.7Å; G1812-L1815 PolarHBondContact O-N 3.26Å; I1813-L1815 VanDerWaalsContact C-N 3.32Å; I1813-L1815 PolarHBondContact O-N 2.89Å; L1815-M1817 VanDerWaalsContact C-N 3.32Å; L1815-M1817 PolarHBondContact O-N 2.84Å; L1815-R1818 PolarHBondContact O-N 2.92Å; L1815-R1818 VanDerWaalsContact O-N 3.12Å; L1815-R1819 PolarHBondContact O-N 2.82Å; L1815-R1819 VanDerWaalsContact O-N 3.14Å
1816Q93.9Very high93.4Very high27 Ų2719.4 Ų19.413%0.12610%0.099CC..Hα-helixtrans-63.4-39.8175.1-60.1-51.4-21.600111.5I1621 P1631 L1633 G1812 I1813 R1818 R1819 C1820I1621-Q1816 HydrophobicContact CD1-CB 3.84Å; I1621-Q1816 HydrophobicContact CG1-CB 4.08Å; I1621-Q1816 HydrophobicContact CG2-CB 4.36Å; I1621-Q1816 HydrophobicContact CG2-CG 4.36Å; P1631-Q1816 WeakPolarHBondContact O-CG 3.49Å; P1631-Q1816 PolarHBondContact O-NE2 2.84Å; L1633-Q1816 HydrophobicContact CB-CB 4.48Å; L1633-Q1816 HydrophobicContact CD1-CB 4.28Å; G1812-Q1816 WeakPolarHBondContact O-CG 3.3Å; G1812-Q1816 PolarHBondContact O-N 2.75Å; G1812-Q1816 VanDerWaalsContact O-N 3.1Å; I1813-Q1816 PolarHBondContact O-N 3.32Å; Q1816-R1818 VanDerWaalsContact C-N 3.29Å; Q1816-R1818 PolarHBondContact O-N 2.83Å; Q1816-R1819 WeakPolarHBondContact O-CB 3.29Å; Q1816-R1819 PolarHBondContact O-N 2.88Å; Q1816-R1819 VanDerWaalsContact O-N 3.16Å; Q1816-R1819 VanDerWaalsContact OE1-CD 3.26Å; Q1816-C1820 PolarHBondContact O-N 2.83Å
1817M95.5Very high93.7Very high0 Ų019.9 Ų19.90%09%0.094CC..Hα-helixtrans-63.3-34.6173.3-69.6178.36000112.7I1618 I1621 I1792 V1793 L1796 I1813 I1814 L1815 R1819 C1820 R1821 M1824I1618-M1817 HydrophobicContact CG2-CG 4.19Å; I1621-M1817 HydrophobicContact CD1-CG 3.56Å; I1792-M1817 HydrophobicContact CB-CE 3.59Å; I1792-M1817 HydrophobicContact CB-SD 4.34Å; I1792-M1817 HydrophobicContact CD1-CE 4.21Å; I1792-M1817 HydrophobicContact CG1-CE 4.5Å; I1792-M1817 HydrophobicContact CG2-CE 3.51Å; I1792-M1817 HydrophobicContact CG2-SD 3.8Å; V1793-M1817 HydrophobicContact CG2-CE 4.17Å; V1793-M1817 HydrophobicContact CG2-SD 3.38Å; V1793-M1817 WeakPolarHBondContact CG2-SD 3.3Å; L1796-M1817 HydrophobicContact CD1-SD 4.38Å; I1813-M1817 HydrophobicContact CG2-SD 4.14Å; I1813-M1817 WeakPolarHBondContact O-CG 3.41Å; I1813-M1817 PolarHBondContact O-N 2.86Å; I1814-M1817 PolarHBondContact O-N 2.88Å; L1815-M1817 VanDerWaalsContact C-N 3.32Å; L1815-M1817 PolarHBondContact O-N 2.84Å; M1817-R1819 VanDerWaalsContact C-N 3.27Å; M1817-R1819 PolarHBondContact O-N 2.85Å; M1817-C1820 WeakPolarHBondContact O-CA 3.38Å; M1817-C1820 WeakPolarHBondContact O-CB 3.48Å; M1817-C1820 PolarHBondContact O-N 2.84Å; M1817-R1821 PolarHBondContact O-N 2.87Å; M1817-M1824 HydrophobicContact CB-CB 4.08Å; M1817-M1824 HydrophobicContact CB-CG 4.26Å; M1817-M1824 HydrophobicContact CE-CB 4.22Å; M1817-M1824 HydrophobicContact CE-CE 3.33Å; M1817-M1824 HydrophobicContact CE-CG 4.43Å
1818R95Very high94Very high11 Ų1119.3 Ų19.34%0.04210%0.097CC..Hα-helixtrans-73-13.8176.3-74.8-170.5178.8-162.94.6114.3Y1555 S1562 Y1593 I1814 L1815 Q1816 R1821 M1824 V1825Y1555-R1818 PolarHBondContact OH-NH2 3.41Å; S1562-R1818 VanDerWaalsContact CB-CD 3.42Å; S1562-R1818 PolarHBondContact OG-NH1 2.81Å; S1562-R1818 VanDerWaalsContact OG-NH1 3.12Å; Y1593-R1818 VanDerWaalsContact CE2-O 3.29Å; Y1593-R1818 WeakPolarHBondContact CE2-O 3.28Å; Y1593-R1818 PolarHBondContact OH-O 2.81Å; I1814-R1818 HydrophobicContact CG2-CG 4.33Å; I1814-R1818 WeakPolarHBondContact O-CB 3.42Å; I1814-R1818 WeakPolarHBondContact O-CG 3.29Å; I1814-R1818 PolarHBondContact O-N 3.34Å; L1815-R1818 PolarHBondContact O-N 2.92Å; L1815-R1818 VanDerWaalsContact O-N 3.12Å; Q1816-R1818 VanDerWaalsContact C-N 3.29Å; Q1816-R1818 PolarHBondContact O-N 2.83Å; R1818-R1821 WeakPolarHBondContact CA-O 3.32Å; R1818-M1824 HydrophobicContact CG-CB 4.14Å; R1818-M1824 PolarHBondContact NE-O 3.06Å; R1818-M1824 PolarHBondContact NH2-O 3.01Å; R1818-V1825 PolarHBondContact NH2-O 2.83Å
1819R93.2Very high94.1Very high61 Ų6120.8 Ų20.823%0.2311%0.109CC..Hα-helixtrans-77.3-23.8164.1-63.2174.3116.2173.36112.4L1565 D1569 L1571 L1815 Q1816 M1817L1565-R1819 HydrophobicContact CB-CG 4.17Å; L1565-R1819 HydrophobicContact CD1-CG 3.93Å; D1569-R1819 VanDerWaalsContact CG-NH2 3.35Å; D1569-R1819 IonicContact OD1-CZ 2.72Å; D1569-R1819 IonicContact OD1-NE 3.88Å; D1569-R1819 IonicContact OD1-NH2 2.75Å; D1569-R1819 PolarHBondContact OD1-NH2 3.15Å; D1569-R1819 IonicContact OD2-CZ 2.6Å; D1569-R1819 IonicContact OD2-NE 3.76Å; D1569-R1819 PolarHBondContact OD2-NE 2.87Å; D1569-R1819 IonicContact OD2-NH2 3.96Å; D1569-R1819 PolarHBondContact OD2-NH2 2.97Å; D1569-R1819 VanDerWaalsContact OD2-NH2 3.13Å; L1571-R1819 HydrophobicContact CD1-CB 4.49Å; L1571-R1819 WeakPolarHBondContact CD1-O 3.49Å; L1815-R1819 PolarHBondContact O-N 2.82Å; L1815-R1819 VanDerWaalsContact O-N 3.14Å; Q1816-R1819 WeakPolarHBondContact O-CB 3.29Å; Q1816-R1819 PolarHBondContact O-N 2.88Å; Q1816-R1819 VanDerWaalsContact O-N 3.16Å; Q1816-R1819 VanDerWaalsContact OE1-CD 3.26Å; M1817-R1819 VanDerWaalsContact C-N 3.27Å; M1817-R1819 PolarHBondContact O-N 2.85Å
1820C94.8Very high94.2Very high0 Ų020.9 Ų20.90%011%0.109CC..Hα-helixtrans-86.8-44.6177.1-66.70000113.1T1596 F1617 I1618 Q1816 M1817T1596-C1820 WeakPolarHBondContact CB-O 3.33Å; T1596-C1820 PolarHBondContact OG1-O 2.88Å; F1617-C1820 WeakPolarHBondContact O-CB 3.48Å; I1618-C1820 HydrophobicContact CD1-CB 3.51Å; Q1816-C1820 PolarHBondContact O-N 2.83Å; M1817-C1820 WeakPolarHBondContact O-CA 3.38Å; M1817-C1820 WeakPolarHBondContact O-CB 3.48Å; M1817-C1820 PolarHBondContact O-N 2.84Å
1821R95.3Very high94.2Very high0 Ų020.8 Ų20.80%011%0.109CC..SBendtrans-145137.3179-169.8172.3176.979.8-0.6109.5N1614 S1616 I1618 A1783 G1784 V1785 M1817 R1818 M1824N1614-R1821 PolarHBondContact OD1-NH1 2.87Å; N1614-R1821 PolarHBondContact OD1-NH2 2.99Å; S1616-R1821 PolarHBondContact OG-NH1 3.39Å; S1616-R1821 VanDerWaalsContact OG-NH1 3.15Å; I1618-R1821 HydrophobicContact CD1-CB 4.02Å; A1783-R1821 PolarHBondContact O-NH2 2.82Å; G1784-R1821 WeakPolarHBondContact O-CD 3.16Å; G1784-R1821 PolarHBondContact O-NE 2.84Å; G1784-R1821 VanDerWaalsContact O-NE 3.08Å; V1785-R1821 HydrophobicContact CG1-CG 4.25Å; M1817-R1821 PolarHBondContact O-N 2.87Å; R1818-R1821 WeakPolarHBondContact CA-O 3.32Å; R1821-M1824 HydrophobicContact CB-CG 3.98Å; R1821-M1824 HydrophobicContact CB-SD 3.94Å; R1821-M1824 HydrophobicContact CG-SD 4.2Å; R1821-M1824 VanDerWaalsContact O-CG 3.27Å; R1821-M1824 WeakPolarHBondContact O-CG 3.19Å
1822P91.5Very high94.3Very high12 Ų1221.4 Ų21.48%0.07811%0.112CC..THydrogen-bonded Turntrans-62.5153.5-179.85.2-4.6000111.7Q1573 L1591 Y1593 V1785 M1824Q1573-P1822 VanDerWaalsContact NE2-CG 3.31Å; L1591-P1822 WeakPolarHBondContact O-CD 3.12Å; L1591-P1822 WeakPolarHBondContact O-CG 3.3Å; Y1593-P1822 HydrophobicContact CD1-CG 4.36Å; Y1593-P1822 HydrophobicContact CE1-CB 4.22Å; Y1593-P1822 HydrophobicContact CE1-CG 3.74Å; Y1593-P1822 HydrophobicContact CE2-CB 4.49Å; Y1593-P1822 HydrophobicContact CE2-CG 4.19Å; Y1593-P1822 WeakPolarHBondContact OH-CA 3.2Å; Y1593-P1822 WeakPolarHBondContact OH-CB 3.39Å; V1785-P1822 WeakPolarHBondContact CG1-O 3.3Å; P1822-M1824 PolarHBondContact O-N 3.28Å
1823S92.9Very high94.5Very high45 Ų4521.3 Ų21.332%0.31511%0.111SC..THydrogen-bonded Turntrans61.715.8169.1-55.50000116.7V1825 Q1826S1823-V1825 CarbonylContact O-C 3.58Å; S1823-V1825 PolarHBondContact O-N 3.19Å; S1823-Q1826 WeakPolarHBondContact O-CA 3.45Å; S1823-Q1826 PolarHBondContact O-N 2.87Å
1824M95.7Very high94.5Very high0 Ų021.3 Ų21.30%011%0.111CC..SBendtrans-55129.5174.1-64-62.2-80.800110.3I1618 A1642 V1785 T1788 I1792 M1817 R1818 R1821 P1822I1618-M1824 HydrophobicContact CD1-CE 4.12Å; I1618-M1824 HydrophobicContact CG1-CE 4.43Å; A1642-M1824 HydrophobicContact CB-CE 4.01Å; A1642-M1824 HydrophobicContact CB-SD 4.4Å; V1785-M1824 HydrophobicContact CB-SD 4.31Å; V1785-M1824 HydrophobicContact CG1-SD 4.34Å; V1785-M1824 WeakPolarHBondContact O-CA 3.43Å; T1788-M1824 HydrophobicContact CG2-CE 4.24Å; I1792-M1824 HydrophobicContact CD1-CE 3.9Å; M1817-M1824 HydrophobicContact CB-CB 4.08Å; M1817-M1824 HydrophobicContact CB-CG 4.26Å; M1817-M1824 HydrophobicContact CE-CB 4.22Å; M1817-M1824 HydrophobicContact CE-CE 3.33Å; M1817-M1824 HydrophobicContact CE-CG 4.43Å; R1818-M1824 HydrophobicContact CG-CB 4.14Å; R1818-M1824 PolarHBondContact NE-O 3.06Å; R1818-M1824 PolarHBondContact NH2-O 3.01Å; R1821-M1824 HydrophobicContact CB-CG 3.98Å; R1821-M1824 HydrophobicContact CB-SD 3.94Å; R1821-M1824 HydrophobicContact CG-SD 4.2Å; R1821-M1824 VanDerWaalsContact O-CG 3.27Å; R1821-M1824 WeakPolarHBondContact O-CG 3.19Å; P1822-M1824 PolarHBondContact O-N 3.28Å
1825V95.9Very high94.4Very high0 Ų021.6 Ų21.60%011%0.112CC..SBendtrans5784.2-165.1-170.30000109.9Y1555 V1785 V1793 I1814 R1818 S1823 Q1830 L1834Y1555-V1825 HydrophobicContact CE2-CG1 4.35Å; Y1555-V1825 WeakPolarHBondContact CE2-O 3.23Å; Y1555-V1825 PolarHBondContact OH-O 2.83Å; V1785-V1825 PolarHBondContact O-N 2.92Å; V1793-V1825 HydrophobicContact CG2-CG2 4.05Å; I1814-V1825 HydrophobicContact CD1-CB 4.19Å; I1814-V1825 HydrophobicContact CD1-CG1 4.3Å; I1814-V1825 HydrophobicContact CD1-CG2 3.99Å; I1814-V1825 HydrophobicContact CG1-CG2 4.05Å; I1814-V1825 HydrophobicContact CG2-CB 4.36Å; I1814-V1825 HydrophobicContact CG2-CG2 4.46Å; R1818-V1825 PolarHBondContact NH2-O 2.83Å; S1823-V1825 CarbonylContact O-C 3.58Å; S1823-V1825 PolarHBondContact O-N 3.19Å; V1825-Q1830 HydrophobicContact CG1-CB 3.88Å; V1825-L1834 HydrophobicContact CG1-CD1 4.18Å; V1825-L1834 HydrophobicContact CG2-CD1 4.01Å
1826Q92.6Very high94.5Very high79 Ų7923.3 Ų23.337%0.36912%0.12SC..  trans-87.4-19.2-164.4-168.6-168.85.500113.9Y1555 V1785 S1823 Q1830Y1555-Q1826 WeakPolarHBondContact OH-CA 3.48Å; Y1555-Q1826 PolarHBondContact OH-O 2.94Å; V1785-Q1826 HydrophobicContact CG2-CB 4.41Å; S1823-Q1826 WeakPolarHBondContact O-CA 3.45Å; S1823-Q1826 PolarHBondContact O-N 2.87Å; Q1826-Q1830 VanDerWaalsContact N-OE1 3.07Å
1827K91.4Very high94.6Very high92 Ų9222.2 Ų22.240%0.411%0.114SC..SBendtrans-124.4149.1-178.2-63.7-67.7-174.6175.10111.3Y1555 A1829 Q1830 Y1831Y1555-K1827 PolarHBondContact OH-N 3.24Å; K1827-A1829 VanDerWaalsContact C-N 3.27Å; K1827-A1829 PolarHBondContact O-N 3.47Å; K1827-Q1830 HydrophobicContact CB-CG 4.41Å; K1827-Q1830 WeakPolarHBondContact O-CB 3.31Å; K1827-Q1830 PolarHBondContact O-N 2.6Å; K1827-Y1831 PolarHBondContact O-N 3.11Å
1828V94.1Very high94.5Very high45 Ų4522.2 Ų22.227%0.27311%0.114SC..Hα-helixtrans-62.6-33.6176.969.80000112.8K1552 Y1555 Q1830 Y1831 I1832K1552-V1828 HydrophobicContact CB-CG2 4.02Å; K1552-V1828 HydrophobicContact CG-CG2 3.69Å; Y1555-V1828 HydrophobicContact CD1-CB 3.63Å; Y1555-V1828 HydrophobicContact CD1-CG2 3.98Å; Y1555-V1828 HydrophobicContact CE1-CB 4.15Å; Y1555-V1828 HydrophobicContact CG-CB 4.05Å; Y1555-V1828 HydrophobicContact CG-CG2 4Å; V1828-Q1830 VanDerWaalsContact C-N 3.31Å; V1828-Q1830 PolarHBondContact O-N 2.97Å; V1828-Y1831 WeakPolarHBondContact O-CB 3.33Å; V1828-Y1831 PolarHBondContact O-N 3.44Å; V1828-Y1831 VanDerWaalsContact O-N 3.15Å; V1828-I1832 HydrophobicContact CG2-CD1 4.28Å; V1828-I1832 WeakPolarHBondContact O-CG1 3.35Å; V1828-I1832 PolarHBondContact O-N 3.16Å
1829A93.5Very high94.4Very high34 Ų3422.2 Ų22.228%0.28112%0.115SC..Hα-helixtrans-59.2-43.2175.600000111.4V1750 K1827 Y1831 I1832 F1833V1750-A1829 VanDerWaalsContact CG1-C 3.46Å; V1750-A1829 HydrophobicContact CG1-CB 4.06Å; V1750-A1829 WeakPolarHBondContact CG1-O 3.5Å; K1827-A1829 VanDerWaalsContact C-N 3.27Å; K1827-A1829 PolarHBondContact O-N 3.47Å; A1829-Y1831 VanDerWaalsContact C-N 3.32Å; A1829-Y1831 PolarHBondContact O-N 2.83Å; A1829-I1832 PolarHBondContact O-N 3.02Å; A1829-F1833 WeakPolarHBondContact O-CB 3.39Å; A1829-F1833 PolarHBondContact O-N 3.14Å
1830Q95.1Very high94.3Very high8 Ų821.8 Ų21.84%0.03712%0.119CC..Hα-helixtrans-62.6-39.3175.7-68.5165-6.400112V1750 T1790 V1825 Q1826 K1827 V1828 F1833 L1834V1750-Q1830 HydrophobicContact CG1-CB 4.49Å; V1750-Q1830 HydrophobicContact CG1-CG 4.13Å; T1790-Q1830 HydrophobicContact CG2-CB 4.43Å; T1790-Q1830 WeakPolarHBondContact OG1-CB 3.27Å; V1825-Q1830 HydrophobicContact CG1-CB 3.88Å; Q1826-Q1830 VanDerWaalsContact N-OE1 3.07Å; K1827-Q1830 HydrophobicContact CB-CG 4.41Å; K1827-Q1830 WeakPolarHBondContact O-CB 3.31Å; K1827-Q1830 PolarHBondContact O-N 2.6Å; V1828-Q1830 VanDerWaalsContact C-N 3.31Å; V1828-Q1830 PolarHBondContact O-N 2.97Å; Q1830-F1833 PolarHBondContact O-N 3.48Å; Q1830-L1834 WeakPolarHBondContact O-CG 3.3Å; Q1830-L1834 PolarHBondContact O-N 2.87Å
1831Y96.1Very high94.1Very high0 Ų023.1 Ų23.10%013%0.127CC..Hα-helixtrans-65.5-42.2176.5-175.3-110000112.9L1551 Q1554 Y1555 I1558 I1810 I1814 K1827 V1828 A1829 L1834 H1835L1551-Y1831 HydrophobicContact CB-CD1 4.47Å; L1551-Y1831 HydrophobicContact CB-CE1 4.43Å; L1551-Y1831 HydrophobicContact CD2-CE1 4.27Å; Q1554-Y1831 HydrophobicContact CB-CE1 4.14Å; Q1554-Y1831 HydrophobicContact CG-CE1 4.25Å; Q1554-Y1831 WeakPolarHBondContact CG-OH 3.47Å; Q1554-Y1831 VanDerWaalsContact OE1-CZ 3.25Å; Q1554-Y1831 PolarHBondContact OE1-OH 3Å; Y1555-Y1831 VanDerWaalsContact CD2-CB 3.48Å; Y1555-Y1831 HydrophobicContact CD2-CD1 4.13Å; Y1555-Y1831 HydrophobicContact CD2-CD2 4.13Å; Y1555-Y1831 AromaticContact CD2-CG 3.65Å; Y1555-Y1831 HydrophobicContact CD2-CG 3.65Å; Y1555-Y1831 HydrophobicContact CG-CD1 4.43Å; Y1555-Y1831 HydrophobicContact CG-CG 4.35Å; I1558-Y1831 HydrophobicContact CD1-CD2 3.84Å; I1558-Y1831 HydrophobicContact CD1-CE2 3.31Å; I1810-Y1831 HydrophobicContact CG2-CD2 4.47Å; I1810-Y1831 HydrophobicContact CG2-CE2 3.86Å; I1814-Y1831 HydrophobicContact CD1-CD2 3.46Å; I1814-Y1831 VanDerWaalsContact CD1-CD2 3.46Å; I1814-Y1831 HydrophobicContact CD1-CE2 3.57Å; K1827-Y1831 PolarHBondContact O-N 3.11Å; V1828-Y1831 WeakPolarHBondContact O-CB 3.33Å; V1828-Y1831 PolarHBondContact O-N 3.44Å; V1828-Y1831 VanDerWaalsContact O-N 3.15Å; A1829-Y1831 VanDerWaalsContact C-N 3.32Å; A1829-Y1831 PolarHBondContact O-N 2.83Å; Y1831-L1834 PolarHBondContact O-N 3.14Å; Y1831-H1835 AromaticContact CE1-CE1 3.6Å; Y1831-H1835 AromaticContact CE2-CE1 3.72Å; Y1831-H1835 AromaticContact CZ-CE1 3.3Å; Y1831-H1835 PolarHBondContact O-N 3.07Å; Y1831-H1835 PolarHBondContact O-ND1 2.93Å; Y1831-H1835 PolarHBondContact OH-CE1 2.86Å
1832I95.5Very high93.9Very high18 Ų1823.7 Ų23.79%0.09213%0.129CC..Hα-helixtrans-61.9-46.8173.5-67.7165.7000109.5F1548 L1551 K1552 V1828 A1829 L1834 H1835 Q1836F1548-I1832 HydrophobicContact CB-CD1 3.75Å; F1548-I1832 HydrophobicContact CB-CG1 4.07Å; F1548-I1832 HydrophobicContact CB-CG2 4.27Å; F1548-I1832 HydrophobicContact CD1-CG2 3.96Å; F1548-I1832 HydrophobicContact CD2-CG2 3.95Å; F1548-I1832 HydrophobicContact CE1-CG2 4.24Å; F1548-I1832 HydrophobicContact CE2-CG2 4.26Å; F1548-I1832 HydrophobicContact CG-CD1 4.36Å; F1548-I1832 HydrophobicContact CG-CG2 3.79Å; F1548-I1832 HydrophobicContact CZ-CG2 4.39Å; L1551-I1832 HydrophobicContact CB-CG1 3.98Å; L1551-I1832 HydrophobicContact CD1-CG1 4.15Å; L1551-I1832 HydrophobicContact CD1-CG2 4.44Å; K1552-I1832 HydrophobicContact CG-CD1 4.3Å; V1828-I1832 HydrophobicContact CG2-CD1 4.28Å; V1828-I1832 WeakPolarHBondContact O-CG1 3.35Å; V1828-I1832 PolarHBondContact O-N 3.16Å; A1829-I1832 PolarHBondContact O-N 3.02Å; I1832-L1834 VanDerWaalsContact C-N 3.29Å; I1832-L1834 PolarHBondContact O-N 2.8Å; I1832-H1835 WeakPolarHBondContact O-CA 3.38Å; I1832-H1835 WeakPolarHBondContact O-CB 3.41Å; I1832-H1835 PolarHBondContact O-N 2.85Å; I1832-Q1836 HydrophobicContact CG2-CG 4.36Å; I1832-Q1836 WeakPolarHBondContact O-CG 3.37Å; I1832-Q1836 PolarHBondContact O-N 3.35Å
1833F95.9Very high93.4Very high2 Ų232 Ų321%0.00916%0.159CC..Hα-helixtrans-56.8-39178.4177-96.7000113.3V1750 P1751 L1753 F1756 T1790 A1829 Q1830 H1835 Q1836 F1837V1750-F1833 HydrophobicContact CB-CB 3.87Å; V1750-F1833 HydrophobicContact CB-CD2 3.89Å; V1750-F1833 HydrophobicContact CB-CG 3.89Å; V1750-F1833 HydrophobicContact CG1-CB 3.65Å; V1750-F1833 HydrophobicContact CG1-CG 4.15Å; V1750-F1833 HydrophobicContact CG2-CB 4.26Å; V1750-F1833 HydrophobicContact CG2-CD2 4.04Å; V1750-F1833 HydrophobicContact CG2-CG 4.4Å; P1751-F1833 HydrophobicContact CG-CE1 3.95Å; P1751-F1833 HydrophobicContact CG-CE2 4.15Å; P1751-F1833 HydrophobicContact CG-CZ 3.63Å; P1751-F1833 WeakPolarHBondContact O-CE2 3.48Å; L1753-F1833 HydrophobicContact CB-CE2 4.07Å; L1753-F1833 HydrophobicContact CD1-CE2 3.86Å; L1753-F1833 HydrophobicContact CD1-CZ 3.88Å; F1756-F1833 HydrophobicContact CB-CZ 3.85Å; F1756-F1833 AromaticContact CD1-CE1 3.69Å; F1756-F1833 HydrophobicContact CD1-CE1 3.69Å; F1756-F1833 AromaticContact CD1-CZ 3.74Å; F1756-F1833 HydrophobicContact CD1-CZ 3.74Å; F1756-F1833 AromaticContact CE1-CE1 3.97Å; F1756-F1833 HydrophobicContact CE1-CE1 3.97Å; F1756-F1833 HydrophobicContact CE1-CZ 4.47Å; F1756-F1833 AromaticContact CG-CE1 4Å; F1756-F1833 HydrophobicContact CG-CE1 4Å; F1756-F1833 AromaticContact CG-CZ 3.8Å; F1756-F1833 HydrophobicContact CG-CZ 3.8Å; T1790-F1833 HydrophobicContact CG2-CD1 3.94Å; T1790-F1833 HydrophobicContact CG2-CE1 4.42Å; A1829-F1833 WeakPolarHBondContact O-CB 3.39Å; A1829-F1833 PolarHBondContact O-N 3.14Å; Q1830-F1833 PolarHBondContact O-N 3.48Å; F1833-H1835 VanDerWaalsContact C-N 3.26Å; F1833-H1835 PolarHBondContact O-N 2.89Å; F1833-Q1836 WeakPolarHBondContact O-CB 3.05Å; F1833-Q1836 PolarHBondContact O-N 2.67Å; F1833-Q1836 VanDerWaalsContact O-N 3.11Å; F1833-F1837 PolarHBondContact O-N 2.98Å
1834L96.7Very high93.5Very high0 Ų031.4 Ų31.40%015%0.151CC..Hα-helixtrans-59.9-35.8173.5-73168.1000112.8T1790 V1793 A1794 I1810 I1814 V1825 Q1830 Y1831 I1832 A1838T1790-L1834 HydrophobicContact CG2-CD2 4.04Å; T1790-L1834 HydrophobicContact CG2-CG 4.1Å; T1790-L1834 WeakPolarHBondContact O-CD2 3.5Å; V1793-L1834 HydrophobicContact CB-CD1 3.84Å; V1793-L1834 HydrophobicContact CB-CD2 3.77Å; V1793-L1834 HydrophobicContact CB-CG 4.46Å; V1793-L1834 HydrophobicContact CG1-CD1 3.81Å; V1793-L1834 HydrophobicContact CG1-CD2 3.85Å; V1793-L1834 HydrophobicContact CG1-CG 4.36Å; V1793-L1834 HydrophobicContact CG2-CD1 4.16Å; A1794-L1834 HydrophobicContact CB-CD2 4.15Å; I1810-L1834 HydrophobicContact CG2-CB 4.37Å; I1814-L1834 HydrophobicContact CD1-CD1 4.11Å; V1825-L1834 HydrophobicContact CG1-CD1 4.18Å; V1825-L1834 HydrophobicContact CG2-CD1 4.01Å; Q1830-L1834 WeakPolarHBondContact O-CG 3.3Å; Q1830-L1834 PolarHBondContact O-N 2.87Å; Y1831-L1834 PolarHBondContact O-N 3.14Å; I1832-L1834 VanDerWaalsContact C-N 3.29Å; I1832-L1834 PolarHBondContact O-N 2.8Å; L1834-A1838 VanDerWaalsContact O-CB 3.28Å; L1834-A1838 WeakPolarHBondContact O-CB 3.05Å; L1834-A1838 PolarHBondContact O-N 2.97Å
1835H95.4Very high93.3Very high6 Ų633.1 Ų33.13%0.02816%0.159CC..Hα-helixtrans-70.9-37.8174.6-72.868.8000111.9F1536 Y1540 L1551 Y1831 I1832 F1833 A1838 N1839F1536-H1835 AromaticContact CE2-CD2 3.99Å; F1536-H1835 HydrophobicContact CZ-CB 4.37Å; F1536-H1835 AromaticContact CZ-CD2 3.73Å; Y1540-H1835 HydrophobicContact CD2-CB 4.04Å; Y1540-H1835 HydrophobicContact CE2-CB 4.22Å; L1551-H1835 HydrophobicContact CD1-CB 3.93Å; Y1831-H1835 AromaticContact CE1-CE1 3.6Å; Y1831-H1835 AromaticContact CE2-CE1 3.72Å; Y1831-H1835 AromaticContact CZ-CE1 3.3Å; Y1831-H1835 PolarHBondContact O-N 3.07Å; Y1831-H1835 PolarHBondContact O-ND1 2.93Å; Y1831-H1835 PolarHBondContact OH-CE1 2.86Å; I1832-H1835 WeakPolarHBondContact O-CA 3.38Å; I1832-H1835 WeakPolarHBondContact O-CB 3.41Å; I1832-H1835 PolarHBondContact O-N 2.85Å; F1833-H1835 VanDerWaalsContact C-N 3.26Å; F1833-H1835 PolarHBondContact O-N 2.89Å; H1835-A1838 PolarHBondContact O-N 2.9Å; H1835-N1839 WeakPolarHBondContact O-CB 3.48Å; H1835-N1839 PolarHBondContact O-N 3.3Å
1836Q94.6Very high93.2Very high50 Ų5034.9 Ų34.923%0.23417%0.168CC..Hα-helixtrans-62.2-45.9174-52.9-174.9-37.900110.7Y1540 L1753 I1832 F1833 N1839 T1840Y1540-Q1836 HydrophobicContact CE2-CB 4.33Å; Y1540-Q1836 HydrophobicContact CE2-CG 3.97Å; Y1540-Q1836 WeakPolarHBondContact OH-CG 3.47Å; L1753-Q1836 HydrophobicContact CD2-CB 4.29Å; I1832-Q1836 HydrophobicContact CG2-CG 4.36Å; I1832-Q1836 WeakPolarHBondContact O-CG 3.37Å; I1832-Q1836 PolarHBondContact O-N 3.35Å; F1833-Q1836 WeakPolarHBondContact O-CB 3.05Å; F1833-Q1836 PolarHBondContact O-N 2.67Å; F1833-Q1836 VanDerWaalsContact O-N 3.11Å; Q1836-N1839 PolarHBondContact O-N 2.87Å; Q1836-T1840 PolarHBondContact O-N 2.82Å; Q1836-T1840 VanDerWaalsContact O-N 3.09Å; Q1836-T1840 PolarHBondContact O-OG1 2.86Å; Q1836-T1840 VanDerWaalsContact O-OG1 3.12Å
1837F95.5Very high93.2Very high3 Ų332.3 Ų32.31%0.01316%0.156CC..Hα-helixtrans-61.6-48.6176.4178.5-93.2000112.4L1753 F1756 Q1757 M1760 A1794 F1833 N1839 T1840 L1841L1753-F1837 HydrophobicContact CD1-CB 3.75Å; L1753-F1837 HydrophobicContact CD1-CD2 3.82Å; L1753-F1837 HydrophobicContact CD1-CG 4.29Å; F1756-F1837 AromaticContact CD1-CD2 3.92Å; F1756-F1837 HydrophobicContact CD1-CD2 3.92Å; F1756-F1837 HydrophobicContact CD1-CE2 4.05Å; F1756-F1837 HydrophobicContact CE1-CD2 4.21Å; F1756-F1837 HydrophobicContact CE1-CE2 4.22Å; Q1757-F1837 HydrophobicContact CG-CD2 3.95Å; Q1757-F1837 HydrophobicContact CG-CE2 3.75Å; M1760-F1837 HydrophobicContact CG-CZ 4.24Å; A1794-F1837 HydrophobicContact CB-CD1 3.97Å; A1794-F1837 HydrophobicContact CB-CE1 3.8Å; A1794-F1837 HydrophobicContact CB-CZ 4.19Å; F1833-F1837 PolarHBondContact O-N 2.98Å; F1837-N1839 VanDerWaalsContact C-N 3.33Å; F1837-N1839 PolarHBondContact O-N 2.69Å; F1837-T1840 PolarHBondContact O-N 3.07Å; F1837-L1841 HydrophobicContact CE1-CD2 4.1Å; F1837-L1841 WeakPolarHBondContact O-CB 3.11Å; F1837-L1841 PolarHBondContact O-N 2.85Å
1838A94.2Very high93.3Very high0 Ų028.6 Ų28.60%014%0.141CC..Hα-helixtrans-58.9-43.617700000112.1F1536 L1797 I1810 L1834 H1835 T1840 L1841 F1842F1536-A1838 HydrophobicContact CD1-CB 4.47Å; F1536-A1838 HydrophobicContact CE1-CB 3.53Å; F1536-A1838 HydrophobicContact CE2-CB 4.34Å; F1536-A1838 HydrophobicContact CZ-CB 3.45Å; F1536-A1838 VanDerWaalsContact CZ-CB 3.45Å; L1797-A1838 HydrophobicContact CD1-CB 4.1Å; I1810-A1838 HydrophobicContact CD1-CB 3.88Å; L1834-A1838 VanDerWaalsContact O-CB 3.28Å; L1834-A1838 WeakPolarHBondContact O-CB 3.05Å; L1834-A1838 PolarHBondContact O-N 2.97Å; H1835-A1838 PolarHBondContact O-N 2.9Å; A1838-T1840 VanDerWaalsContact C-N 3.34Å; A1838-T1840 PolarHBondContact O-N 2.62Å; A1838-L1841 PolarHBondContact O-N 2.85Å; A1838-F1842 HydrophobicContact CB-CD2 4.38Å; A1838-F1842 HydrophobicContact CB-CE2 3.8Å; A1838-F1842 HydrophobicContact CB-CZ 4.07Å; A1838-F1842 WeakPolarHBondContact O-CB 3.49Å; A1838-F1842 WeakPolarHBondContact O-CD2 3.48Å; A1838-F1842 WeakPolarHBondContact O-CG 3.38Å; A1838-F1842 PolarHBondContact O-N 3.02Å
1839N93.3Very high93.3Very high12 Ų1227.5 Ų27.56%0.06413%0.132CC..Hα-helixtrans-61.9-41.5177.5176.273.6000111.9F1536 Y1540 H1835 Q1836 F1837 R1843F1536-N1839 HydrophobicContact CE1-CB 4.26Å; Y1540-N1839 HydrophobicContact CD1-CB 3.6Å; Y1540-N1839 WeakPolarHBondContact CD1-ND2 3.3Å; Y1540-N1839 WeakPolarHBondContact CD1-OD1 3.49Å; Y1540-N1839 HydrophobicContact CD2-CB 4Å; Y1540-N1839 HydrophobicContact CE1-CB 3.96Å; Y1540-N1839 WeakPolarHBondContact CE1-ND2 3.44Å; Y1540-N1839 HydrophobicContact CE2-CB 4.33Å; Y1540-N1839 HydrophobicContact CG-CB 3.62Å; H1835-N1839 WeakPolarHBondContact O-CB 3.48Å; H1835-N1839 PolarHBondContact O-N 3.3Å; Q1836-N1839 PolarHBondContact O-N 2.87Å; F1837-N1839 VanDerWaalsContact C-N 3.33Å; F1837-N1839 PolarHBondContact O-N 2.69Å; N1839-R1843 WeakPolarHBondContact O-CG 3.25Å; N1839-R1843 PolarHBondContact O-N 3.11Å
1840T91.3Very high93.3Very high51 Ų5127 Ų2731%0.31312%0.121SC..Hα-helixtrans-70.6-32176.2-51.40000112.5L1753 Q1836 F1837 A1838L1753-T1840 WeakPolarHBondContact CD2-OG1 3.3Å; Q1836-T1840 PolarHBondContact O-N 2.82Å; Q1836-T1840 VanDerWaalsContact O-N 3.09Å; Q1836-T1840 PolarHBondContact O-OG1 2.86Å; Q1836-T1840 VanDerWaalsContact O-OG1 3.12Å; F1837-T1840 PolarHBondContact O-N 3.07Å; A1838-T1840 VanDerWaalsContact C-N 3.34Å; A1838-T1840 PolarHBondContact O-N 2.62Å
1841L90.5Very high93.1Very high29 Ų2928.5 Ų28.515%0.15213%0.128CC..Hα-helixtrans-72.1-31.4177179.768.4000112.9L1797 Q1798 K1801 F1837 A1838L1797-L1841 HydrophobicContact CB-CD2 4.2Å; Q1798-L1841 HydrophobicContact CB-CD2 4.34Å; Q1798-L1841 HydrophobicContact CG-CD1 4.46Å; K1801-L1841 HydrophobicContact CB-CD2 4.05Å; K1801-L1841 HydrophobicContact CB-CG 4.31Å; K1801-L1841 HydrophobicContact CG-CD1 4.39Å; K1801-L1841 HydrophobicContact CG-CD2 4.44Å; K1801-L1841 HydrophobicContact CG-CG 4.14Å; F1837-L1841 HydrophobicContact CE1-CD2 4.1Å; F1837-L1841 WeakPolarHBondContact O-CB 3.11Å; F1837-L1841 PolarHBondContact O-N 2.85Å; A1838-L1841 PolarHBondContact O-N 2.85Å
1842F89.9Confident92.9Very high12 Ų1230.8 Ų30.85%0.05314%0.139CC..Hα-helixtrans-89.1-18.6-177.5-58.4-23.6000113.8T1533 F1536 M1537 L1797 K1801 Y1808 A1838T1533-F1842 HydrophobicContact CG2-CB 3.97Å; T1533-F1842 HydrophobicContact CG2-CD1 3.93Å; T1533-F1842 HydrophobicContact CG2-CD2 4.23Å; T1533-F1842 HydrophobicContact CG2-CG 3.78Å; F1536-F1842 HydrophobicContact CB-CD2 4.16Å; F1536-F1842 HydrophobicContact CB-CE2 4.29Å; F1536-F1842 AromaticContact CD1-CD2 3.55Å; F1536-F1842 HydrophobicContact CD1-CD2 3.55Å; F1536-F1842 AromaticContact CD1-CE2 3.71Å; F1536-F1842 HydrophobicContact CD1-CE2 3.71Å; F1536-F1842 HydrophobicContact CD2-CE2 4.13Å; F1536-F1842 HydrophobicContact CE1-CD2 4.14Å; F1536-F1842 HydrophobicContact CE1-CE2 4.06Å; F1536-F1842 HydrophobicContact CE2-CE2 4.46Å; F1536-F1842 AromaticContact CG-CD2 3.87Å; F1536-F1842 HydrophobicContact CG-CD2 3.87Å; F1536-F1842 AromaticContact CG-CE2 3.76Å; F1536-F1842 HydrophobicContact CG-CE2 3.76Å; F1536-F1842 HydrophobicContact CZ-CE2 4.43Å; M1537-F1842 HydrophobicContact CG-CB 4.25Å; M1537-F1842 HydrophobicContact SD-CB 4.41Å; L1797-F1842 HydrophobicContact CD2-CZ 4.39Å; K1801-F1842 HydrophobicContact CB-CE1 4.43Å; K1801-F1842 HydrophobicContact CD-CD1 4.19Å; Y1808-F1842 AromaticContact CD1-CE1 3.76Å; Y1808-F1842 HydrophobicContact CD1-CE1 3.76Å; Y1808-F1842 HydrophobicContact CD1-CE2 4.23Å; Y1808-F1842 AromaticContact CD1-CZ 3.3Å; Y1808-F1842 HydrophobicContact CD1-CZ 3.3Å; Y1808-F1842 HydrophobicContact CD2-CE2 4.45Å; Y1808-F1842 HydrophobicContact CD2-CZ 4.15Å; Y1808-F1842 AromaticContact CE1-CE1 3.44Å; Y1808-F1842 HydrophobicContact CE1-CE1 3.44Å; Y1808-F1842 VanDerWaalsContact CE1-CE1 3.44Å; Y1808-F1842 AromaticContact CE1-CZ 3.53Å; Y1808-F1842 HydrophobicContact CE1-CZ 3.53Å; Y1808-F1842 HydrophobicContact CE2-CE1 4.41Å; Y1808-F1842 HydrophobicContact CE2-CZ 4.4Å; Y1808-F1842 HydrophobicContact CG-CE1 4.33Å; Y1808-F1842 HydrophobicContact CG-CE2 4.12Å; Y1808-F1842 AromaticContact CG-CZ 3.63Å; Y1808-F1842 HydrophobicContact CG-CZ 3.63Å; Y1808-F1842 AromaticContact CZ-CE1 3.82Å; A1838-F1842 HydrophobicContact CB-CD2 4.38Å; A1838-F1842 HydrophobicContact CB-CE2 3.8Å; A1838-F1842 HydrophobicContact CB-CZ 4.07Å; A1838-F1842 WeakPolarHBondContact O-CB 3.49Å; A1838-F1842 WeakPolarHBondContact O-CD2 3.48Å; A1838-F1842 WeakPolarHBondContact O-CG 3.38Å; A1838-F1842 PolarHBondContact O-N 3.02Å
1843R82Confident92.7Very high187 Ų18732 Ų3271%0.70614%0.143SC*.  trans-75.60164.8-74.3-177.4-178.2-132.1-4109.8M1537 E1541 N1839M1537-R1843 HydrophobicContact CG-CG 4.45Å; M1537-R1843 HydrophobicContact SD-CB 4.34Å; M1537-R1843 HydrophobicContact SD-CG 3.43Å; M1537-R1843 WeakPolarHBondContact SD-CG 3.49Å; E1541-R1843 IonicContact OE1-CZ 3.73Å; E1541-R1843 IonicContact OE1-NH2 3.89Å; E1541-R1843 PolarHBondContact OE1-NH2 2.74Å; N1839-R1843 WeakPolarHBondContact O-CG 3.25Å; N1839-R1843 PolarHBondContact O-N 3.11Å

Retrieved 1,843 of 1,843 residues in 2613.1 ms (Link to these results)