A0A096NNL4_PAPAN Loading...

Phosphatidylinositol-4,5-bisphosphate 4-phosphatase

Catalyzes the hydrolysis of phosphatidylinositol-4,5-bisphosphate (PtdIns-4,5-P2) to phosphatidylinositol-4-phosphate (PtdIns-4-P).

AlphaFold DB (Q4R6W2), UniProt , Accession A0A096NNL4, Species PAPAN (Papio anubis, Olive baboon), Gene PIP4P1, Length 284 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M44.6Very low41.5Very low241 Ų241143.5 Ų143.5100%1.18782%0.822SS**  088.40-59-166.5178.900106
2A35.4Very low41.3Very low104 Ų104139.3 Ų139.386%0.8681%0.807SS**  56.9115.396.400000110.2
3A44.3Very low41.2Very low83 Ų83142.8 Ų142.869%0.68681%0.811SS**  -167142.958.600000111.9
4D39.6Very low41.2Very low162 Ų162139.6 Ų139.687%0.86680%0.799SS**  trans45130134.9-52.4-58000120.4
5G37.5Very low41.5Very low74 Ų74140.9 Ų140.976%0.76380%0.8SS**  cis100.691.136.200000109
6E46Very low41.6Very low196 Ų196141.3 Ų141.392%0.91680%0.799SS**  trans-145.8109.1154.3-142.8-167.698.800111.7
7R38.2Very low41.5Very low218 Ų218137.8 Ų137.882%0.82380%0.802SS**  trans-100143.2172.2174.1-175.8-170.6178.12.4106.1
8S46.4Very low41.3Very low112 Ų112134.2 Ų134.278%0.78380%0.799SS**  trans-159.7148.3143.4-93.10000112.5
9P39.9Very low41.2Very low93 Ų93133.1 Ų133.160%0.60481%0.806SS**  trans-116.4-179.1-136.425.2-3.4000111.4
10L43.1Very low41.1Very low146 Ų146130.7 Ų130.776%0.76481%0.81SS**  170.6118.3127.3-83.8-170.1000110.4
11L41.2Very low41.1Very low150 Ų150127.6 Ų127.679%0.78580%0.804SS**  trans60.1132.5141.4-73.1154.7000118.6
12S39.1Very low41Very low92 Ų92124.6 Ų124.664%0.64379%0.793SS**  cis177117.20.622.50000103.8
13E39.8Very low41.2Very low185 Ų185122.6 Ų122.686%0.86478%0.782SS**  80.3161.5100.7-113.4-160.1127.300115
14P42Very low41.1Very low98 Ų98126.8 Ų126.864%0.63679%0.792SS**  -129.4177.3-99.741.1-24.4000114.6
15I45.8Very low41.6Very low159 Ų159125.6 Ų125.682%0.81579%0.79SS**  trans171.1143162-98.1148.9000107
16D43.6Very low41.6Very low147 Ų147125.4 Ų125.479%0.78679%0.788SS**  cis-172.4149.1-26.1-101.9-43.2000105.2
17G39.4Very low41.6Very low83 Ų83122.5 Ų122.586%0.85679%0.786SS**  trans73.4135.3155.200000118.4
18G37Very low41.5Very low72 Ų72115.9 Ų115.974%0.74279%0.786SS**  cis158.4144.6700000109.3
19A40.6Very low41.1Very low113 Ų113113.6 Ų113.693%0.93478%0.78SS**  trans60.4122.3159.200000118.6
20G39.1Very low41.1Very low86 Ų86115.2 Ų115.289%0.88779%0.794SS**  121.1146.352.100000106.5
21G41.6Very low40.8Very low66 Ų66111.9 Ų111.968%0.6879%0.794SS**  cis-177.7165.2-1.900000107.5
22N41.1Very low40.8Very low178 Ų178109.8 Ų109.895%0.95280%0.799SS**  trans58.6137.6153.8-55.4-1.2000119.4
23G39.5Very low40.7Very low62 Ų62108.9 Ų108.964%0.63980%0.804SS**  cis159.51555.400000109.3
24L43.8Very low41.1Very low171 Ų171106.7 Ų106.790%0.89581%0.806SS**  trans71.2139.2149.3-55.7166.7000116.6
25V48.9Very low40.8Very low137 Ų137105.8 Ų105.883%0.8381%0.814SS**  cis-168.515316.9125.30000108.4
26G37.9Very low40.5Very low70 Ų70102.2 Ų102.272%0.72282%0.817SS**  trans158.193.916000000116.1
27P46.8Very low39.9Very low134 Ų13498.6 Ų98.687%0.8782%0.815SS**  trans-84.2171.6176.137.2-32.2000110.4
28G36.1Very low40.2Very low80 Ų80103.1 Ų103.183%0.82582%0.818SS**  cis144.7153.622.500000107.3
29G37.2Very low40.4Very low63 Ų63105.8 Ų105.865%0.64982%0.82SS**  trans128.894.1175.800000112.1
30S39.9Very low40.7Very low128 Ų128105.9 Ų105.990%0.89581%0.811SS**  cis39.8124.849.955.20000112.9
31G37.1Very low40.8Very low75 Ų75107.2 Ų107.277%0.77381%0.807SS**  cis173.61782.700000108
32A39.7Very low40.7Very low107 Ų107108.5 Ų108.588%0.88481%0.811SS**  trans80.8116.6163.100000120.1
33G38.3Very low41.3Very low73 Ų73105.1 Ų105.175%0.75380%0.799SS**  trans-77.1-150.4161.400000112
34P47.3Very low41.4Very low138 Ų138106.8 Ų106.890%0.89680%0.799SS**  cis-140.5-176.321.238.8-17.8000115.6
35G36.9Very low41.6Very low79 Ų79108.5 Ų108.581%0.81479%0.794SS**  trans126.2122.2141.800000119.4
36G38.5Very low41Very low84 Ų84105.6 Ų105.687%0.86679%0.793SS**  trans75.7107.5153.500000116.3
37G32.2Very low41.1Very low72 Ų72107.8 Ų107.874%0.74280%0.804SS**  cis89.8100.34200000108.5
38L44.6Very low40.7Very low177 Ų177104.8 Ų104.893%0.92780%0.798SS**  trans177.7108.9156.3-92.7163.1000108.8
39T42.2Very low41Very low129 Ų129110.9 Ų110.979%0.79180%0.801SS**  trans-66.1157.3166.350.10000110.9
40P46.7Very low41.2Very low114 Ų114117.5 Ų117.574%0.7482%0.815SS**  -149.5135.7108.628.5-8000116.2
41S41Very low41.6Very low115 Ų115115.9 Ų115.980%0.80481%0.809SS**  59.8120.2122.1-41.90000121.1
42A38.3Very low42.5Very low93 Ų93117.7 Ų117.777%0.76981%0.807SS**  trans-67.7157.316800000113.2
43P55.1Low43.1Very low107 Ų107118.6 Ų118.670%0.69580%0.804SS**  trans-91149.8160.533.8-26000111.7Y45P43-Y45 HydrophobicContact CB-CE2 4.2Å
44P41.7Very low43.8Very low97 Ų97124.1 Ų124.163%0.6381%0.811SS**  trans-86.2-145.3-178.537.2-34.8000111.1
45Y47Very low43.8Very low206 Ų206122.1 Ų122.181%0.80881%0.805SS**  trans96.283176.4-36.2-62.3000115.4P43P43-Y45 HydrophobicContact CB-CE2 4.2Å
46G36.4Very low44.5Very low77 Ų77127.6 Ų127.679%0.79481%0.807SS**  trans-81.9-169.1152.300000112.7
47A39.7Very low45.7Very low115 Ų115128.2 Ų128.295%0.9580%0.796SS**  trans87.690.5178.300000115.6
48G39.4Very low46.9Very low72 Ų72130.8 Ų130.874%0.74280%0.8SS**  trans-175.566.9172.700000114.6
49K41.6Very low47.2Very low208 Ų208131.5 Ų131.590%0.90480%0.796SS**  trans44.6111.9153.4-60.4-175.9-179.8-178.30119.5
50H41.6Very low47.9Very low201 Ų201131 Ų13193%0.93179%0.794SS**  trans-49.9135.3167.1-66.2-89.6000114.2
51A49.1Very low47.6Very low95 Ų95134.7 Ų134.779%0.78580%0.802SS**  trans-130.3120.4153.800000107.9
52P55.8Low47.8Very low112 Ų112132.3 Ų132.373%0.72780%0.795SS**  trans-75.6157.9-179.430.1-31.8000111.6Q54P52-Q54 PolarHBondContact O-N 3.09Å
53P51.4Low48.5Very low127 Ų127136.3 Ų136.383%0.82580%0.798SS**  trans-67.1133-172.727.7-32.4000110.8A55P53-A55 PolarHBondContact O-N 2.93Å
54Q52.8Low48.3Very low189 Ų189136.5 Ų136.588%0.88380%0.799SS**  trans-62.8115177.9-66.1-172.4-51.100110P52P52-Q54 PolarHBondContact O-N 3.09Å
55A47.8Very low48.2Very low95 Ų95136.8 Ų136.879%0.78581%0.81SS**PPolyproline II helixtrans-71.2141.717100000110.3P53P53-A55 PolarHBondContact O-N 2.93Å
56F51.5Low48.2Very low194 Ų194132.7 Ų132.785%0.85181%0.806SS**PPolyproline II helixtrans-61.9147.4175.2-71.3-90.7000111.3
57P63.2Low49.1Very low98 Ų98136 Ų13664%0.63681%0.805SS**PPolyproline II helixtrans-65.6147.9-175.227-34.1000112.1
58P57.7Low49.3Very low126 Ų126137 Ų13782%0.81880%0.801SS**PPolyproline II helixtrans-70.2131.2175.6-0.315.6000109.6
59F51Low50.1Low192 Ų192137 Ų13784%0.84280%0.801SS**PPolyproline II helixtrans-74.9134.8168.6-79.3-85.1000109.4E61F59-E61 PolarHBondContact O-N 3.1Å
60P56.9Low50.4Low117 Ų117135.6 Ų135.676%0.7680%0.798SS**PPolyproline II helixtrans-68.7124.2-169.625.4-32.7000112.3G62P60-G62 PolarHBondContact O-N 3.15Å; P60-G62 VanDerWaalsContact O-N 3.16Å
61E41.5Very low51.2Low193 Ų193133.1 Ų133.190%0.90279%0.792SS**  trans-60.9107.3161.8-82.7148.912900109.4F59F59-E61 PolarHBondContact O-N 3.1Å
62G43.6Very low52.1Low64 Ų64133.8 Ų133.866%0.6679%0.788SS**  trans-155.946.7-179.900000110.6P60P60-G62 PolarHBondContact O-N 3.15Å; P60-G62 VanDerWaalsContact O-N 3.16Å
63H54.1Low52.4Low177 Ų177134.1 Ų134.182%0.81979%0.79SS**  trans-88.1118.5169.2-58.9-68.2000108.1A65H63-A65 PolarHBondContact O-N 2.93Å
64P49.8Very low52.8Low111 Ų111133.3 Ų133.372%0.72179%0.785SS**  trans-62.8124.4165.825.8-28.3000107.3V66P64-V66 VanDerWaalsContact C-N 3.31Å; P64-V66 PolarHBondContact O-N 3.31Å
65A40.5Very low52.5Low104 Ų104134.8 Ų134.886%0.8678%0.784SS**  trans-57.194.5171.700000109H63H63-A65 PolarHBondContact O-N 2.93Å
66V47.2Very low52.5Low120 Ų120134.2 Ų134.273%0.72777%0.774SS**  trans-85.6127.4165.1179.40000106.9P64P64-V66 VanDerWaalsContact C-N 3.31Å; P64-V66 PolarHBondContact O-N 3.31Å
67L54.8Low52.3Low147 Ų147130.6 Ų130.677%0.7777%0.77SS**  trans-53.3154.1-169.6-70.6157.8000113.9G69L67-G69 PolarHBondContact O-N 3.06Å; L67-G69 VanDerWaalsContact O-N 3.14Å
68P44.5Very low51.4Low134 Ų134132.9 Ų132.987%0.8778%0.776SS**THydrogen-bonded Turntrans-66.1111.8177.626.5-31.7000110
69G55.6Low50.7Low72 Ų72132.6 Ų132.674%0.74277%0.772SS**THydrogen-bonded Turntrans157-2.5171.700000118.6L67L67-G69 PolarHBondContact O-N 3.06Å; L67-G69 VanDerWaalsContact O-N 3.14Å
70E47.6Very low50.3Low179 Ų179128.3 Ų128.384%0.83677%0.766SS**  trans-115.3100.5-176.3-143.7125.49900111.1
71D59.7Low49.8Very low150 Ų150128.8 Ų128.880%0.80277%0.769SS**PPolyproline II helixtrans-58.6139.8175.1-72.6-47.8000110.8
72P66.6Low49.9Very low108 Ų108126.7 Ų126.770%0.70176%0.764SS**PPolyproline II helixtrans-59.8143.6175.125.5-33.1000110.5
73P63.4Low49.6Very low119 Ų119129.7 Ų129.777%0.77378%0.775SS**PPolyproline II helixtrans-55.3134.5-168.820-32.5000111.8Y75P73-Y75 PolarHBondContact O-N 2.92Å
74P58.9Low49.2Very low111 Ų111124.3 Ų124.372%0.72177%0.767SS**PPolyproline II helixtrans-56.9129.1176.1-18.929000109.2S76P74-S76 PolarHBondContact O-N 3.14Å; P74-S76 PolarHBondContact O-OG 2.76Å
75Y47.1Very low49.1Very low220 Ų220125.2 Ų125.286%0.86378%0.776SS**  trans-55.294.2169.5-168.1-90.3000107.7P73 P77P73-Y75 PolarHBondContact O-N 2.92Å; Y75-P77 WeakPolarHBondContact O-CD 3.25Å
76S48.1Very low49.9Very low83 Ų83121 Ų12158%0.5874%0.741SS**  trans-73.3112.7179.9-68.90000106.5P74 L78P74-S76 PolarHBondContact O-N 3.14Å; P74-S76 PolarHBondContact O-OG 2.76Å; S76-L78 PolarHBondContact O-N 3.25Å
77P45.7Very low51.3Low118 Ų118117.5 Ų117.577%0.76672%0.721SS**  trans-74.889.7174.731.8-26.6000105.6Y75 T79Y75-P77 WeakPolarHBondContact O-CD 3.25Å; P77-T79 PolarHBondContact O-N 3.45Å
78L45.1Very low52.5Low146 Ų146116.7 Ų116.776%0.76472%0.715SS**  trans-77.8111-178.5-132.380.8000109S76S76-L78 PolarHBondContact O-N 3.25Å
79T43.2Very low54.4Low120 Ų120112.3 Ų112.374%0.73668%0.684SS**SBendtrans74128153.589.60000115.5P77P77-T79 PolarHBondContact O-N 3.45Å
80S42.1Very low56Low102 Ų102112.8 Ų112.871%0.71367%0.673SS**  cis-162.2140.45.628.30000106.7D82S80-D82 PolarHBondContact O-N 2.93Å
81P47.5Very low57.9Low127 Ų127104.3 Ų104.383%0.82563%0.633SS**  trans-85.4105.1-17633.4-28.3000109.4
82D43.1Very low59.2Low149 Ų149107.1 Ų107.180%0.79763%0.632SS**  trans-134.589.9157.3-92.9-46.7000106.9S80S80-D82 PolarHBondContact O-N 2.93Å
83S37.6Very low60.2Low127 Ų127104.3 Ų104.389%0.88861%0.613SS**SBendtrans41.587.5153.6-48.70000116.9
84G46.1Very low61.4Low64 Ų64101 Ų10166%0.6659%0.592SS**  trans124.671.4161.500000116A86G84-A86 PolarHBondContact O-N 2.87Å
85S47.8Very low62.8Low129 Ų129103.5 Ų103.590%0.90259%0.594SS**  trans-69.261.5165.7163.40000110.7
86A57.3Low64.8Low15 Ų1594.2 Ų94.212%0.12456%0.561CS.*  trans-70.6125.6173.500000108G84 M88 N99 E101G84-A86 PolarHBondContact O-N 2.87Å; A86-M88 PolarHBondContact O-N 2.76Å; A86-N99 WeakPolarHBondContact CB-OD1 3.49Å; A86-E101 HydrophobicContact CB-CB 4.08Å; A86-E101 HydrophobicContact CB-CG 4.41Å; A86-E101 WeakPolarHBondContact CB-OE2 3.43Å
87P75.4Confident66.7Low48 Ų4896.1 Ų96.131%0.31256%0.564SS.*  trans-64111.6-177.422.2-28.9000109.2V100 M104P87-V100 HydrophobicContact CB-CB 4.49Å; P87-V100 HydrophobicContact CG-CB 4.25Å; P87-V100 WeakPolarHBondContact O-CA 3.24Å; P87-V100 WeakPolarHBondContact O-CB 3.12Å; P87-V100 VanDerWaalsContact O-CG2 3.24Å; P87-V100 WeakPolarHBondContact O-CG2 3.43Å; P87-V100 PolarHBondContact O-N 2.78Å; P87-M104 HydrophobicContact CB-CE 3.97Å; P87-M104 HydrophobicContact CB-SD 4.2Å; P87-M104 HydrophobicContact CG-CE 3.87Å; P87-M104 HydrophobicContact CG-CG 3.9Å; P87-M104 HydrophobicContact CG-SD 3.49Å; P87-M104 WeakPolarHBondContact CG-SD 3.45Å
88M79.5Confident68.6Low130 Ų13091.1 Ų91.164%0.6453%0.531SS*.EExtended strand (participates in β ladder)trans-99.2136.4179.6-69.3-169.1-81.100111.3A86 I98A86-M88 PolarHBondContact O-N 2.76Å; M88-I98 WeakPolarHBondContact CA-O 2.98Å
89I85.2Confident70.5Confident42 Ų4287.9 Ų87.922%0.21551%0.514CS..EExtended strand (participates in β ladder)trans-122.9144.4173.4-169.8168.9000110.6I98 V100 V109 T118 P119I89-I98 HydrophobicContact CG2-CB 3.91Å; I89-I98 HydrophobicContact CG2-CD1 4.43Å; I89-I98 HydrophobicContact CG2-CG2 4.43Å; I89-I98 PolarHBondContact N-O 3.38Å; I89-I98 WeakPolarHBondContact O-CB 3.48Å; I89-I98 PolarHBondContact O-N 3.4Å; I89-V100 HydrophobicContact CB-CG2 4Å; I89-V100 HydrophobicContact CG2-CG2 3.37Å; I89-V109 HydrophobicContact CG2-CG1 4.25Å; I89-T118 HydrophobicContact CD1-CG2 4.09Å; I89-T118 HydrophobicContact CG1-CG2 4.45Å; I89-P119 WeakPolarHBondContact CD1-O 3.32Å
90T89Confident72.3Confident82 Ų8282.3 Ų82.350%0.50348%0.48SS..EExtended strand (participates in β ladder)trans-87.8134.7176.852.20000111.7R92 L97T90-R92 PolarHBondContact O-N 2.98Å; T90-L97 HydrophobicContact CG2-CD2 3.86Å
91C88Confident74Confident1 Ų183 Ų831%0.00747%0.473CS..  trans-68123.6173.2-174.60000110.4V93 Q95 S96 I98 C111 C114C91-V93 PolarHBondContact O-N 2.93Å; C91-V93 VanDerWaalsContact O-N 3.12Å; C91-Q95 WeakPolarHBondContact O-CA 3.19Å; C91-Q95 PolarHBondContact O-N 3.36Å; C91-S96 PolarHBondContact N-O 3.02Å; C91-I98 HydrophobicContact CB-CD1 3.98Å; C91-C111 HydrophobicContact CB-CB 4.07Å; C91-C111 VanDerWaalsContact SG-CB 3.55Å; C91-C114 PolarHBondContact SG-SG 2.99Å
92R86.1Confident75.2Confident209 Ų20979.9 Ų79.979%0.78946%0.463SS*.THydrogen-bonded Turntrans-66.6-13.7177.8-72.7-154.2-179.7-1761115.1T90T90-R92 PolarHBondContact O-N 2.98Å
93V87.1Confident77Confident49 Ų4977.5 Ų77.530%0.29745%0.446SS..THydrogen-bonded Turntrans-95.1-52.2-177-1760000111.3C91 E116 N135C91-V93 PolarHBondContact O-N 2.93Å; C91-V93 VanDerWaalsContact O-N 3.12Å; V93-E116 HydrophobicContact CB-CB 4.24Å; V93-E116 HydrophobicContact CB-CG 4.23Å; V93-E116 HydrophobicContact CG1-CG 4.14Å; V93-E116 HydrophobicContact CG2-CB 3.75Å; V93-E116 HydrophobicContact CG2-CG 3.91Å; V93-N135 HydrophobicContact CG2-CB 4.18Å
94C88.8Confident78.8Confident48 Ų4875.7 Ų75.732%0.32442%0.424SS..THydrogen-bonded Turntrans-111.83.3-177.463.70000114.4S96 C111 C114C94-S96 PolarHBondContact O-N 3Å; C94-S96 PolarHBondContact SG-OG 2.92Å; C94-C111 PolarHBondContact SG-SG 3.12Å; C94-C114 HydrophobicContact CB-CB 3.96Å; C94-C114 PolarHBondContact SG-SG 2.64Å
95Q90.1Very high80.4Confident164 Ų16479.1 Ų79.177%0.76642%0.423SS*.  trans61.84.7178.4-56.41772100116.1C91C91-Q95 WeakPolarHBondContact O-CA 3.19Å; C91-Q95 PolarHBondContact O-N 3.36Å
96S88.4Confident82.2Confident26 Ų2677 Ų7718%0.18240%0.399CS..  trans-66.4146.2176.564.70000112.2C91 C94 C111C91-S96 PolarHBondContact N-O 3.02Å; C94-S96 PolarHBondContact O-N 3Å; C94-S96 PolarHBondContact SG-OG 2.92Å; S96-C111 PolarHBondContact OG-SG 3.05Å
97L87.6Confident83.5Confident122 Ų12280 Ų8064%0.63941%0.41SS*.EExtended strand (participates in β ladder)trans-71.8132.5173.4-65.6164.6000110.3T90T90-L97 HydrophobicContact CG2-CD2 3.86Å
98I85.4Confident84Confident14 Ų1479.3 Ų79.37%0.07241%0.405CS..EExtended strand (participates in β ladder)trans-116.9117.1176.8-54.7169.7000107.1M88 I89 C91 V100 V109 C111M88-I98 WeakPolarHBondContact CA-O 2.98Å; I89-I98 HydrophobicContact CG2-CB 3.91Å; I89-I98 HydrophobicContact CG2-CD1 4.43Å; I89-I98 HydrophobicContact CG2-CG2 4.43Å; I89-I98 PolarHBondContact N-O 3.38Å; I89-I98 WeakPolarHBondContact O-CB 3.48Å; I89-I98 PolarHBondContact O-N 3.4Å; C91-I98 HydrophobicContact CB-CD1 3.98Å; I98-V100 PolarHBondContact O-N 3.1Å; I98-V109 HydrophobicContact CD1-CG1 4.26Å; I98-V109 HydrophobicContact CG2-CG1 4.07Å; I98-V109 HydrophobicContact CG2-CG2 3.88Å; I98-C111 HydrophobicContact CD1-CB 3.81Å; I98-C111 HydrophobicContact CG1-CB 4.47Å
99N84.5Confident84.5Confident77 Ų7773.3 Ų73.341%0.41238%0.375SS..EExtended strand (participates in β ladder)trans-70.2121.8169.5-172.15.5000109.5A86 E101A86-N99 WeakPolarHBondContact CB-OD1 3.49Å; N99-E101 PolarHBondContact ND2-OE2 3.4Å; N99-E101 VanDerWaalsContact ND2-OE2 3.14Å; N99-E101 VanDerWaalsContact OD1-CB 3.25Å; N99-E101 WeakPolarHBondContact OD1-CB 3.41Å; N99-E101 PolarHBondContact OD1-N 3.48Å
100V82.1Confident84.7Confident3 Ų378.7 Ų78.72%0.01840%0.397CS..  trans-96.83-178.3-1650000112.2P87 I89 I98 G102 K103 M104 I120P87-V100 HydrophobicContact CB-CB 4.49Å; P87-V100 HydrophobicContact CG-CB 4.25Å; P87-V100 WeakPolarHBondContact O-CA 3.24Å; P87-V100 WeakPolarHBondContact O-CB 3.12Å; P87-V100 VanDerWaalsContact O-CG2 3.24Å; P87-V100 WeakPolarHBondContact O-CG2 3.43Å; P87-V100 PolarHBondContact O-N 2.78Å; I89-V100 HydrophobicContact CB-CG2 4Å; I89-V100 HydrophobicContact CG2-CG2 3.37Å; I98-V100 PolarHBondContact O-N 3.1Å; V100-G102 PolarHBondContact O-N 3.47Å; V100-K103 HydrophobicContact CG1-CB 4.37Å; V100-K103 PolarHBondContact O-N 3.28Å; V100-M104 HydrophobicContact CG1-CG 4.25Å; V100-M104 PolarHBondContact O-N 2.92Å; V100-I120 HydrophobicContact CG1-CD1 3.48Å; V100-I120 VanDerWaalsContact CG1-CD1 3.48Å; V100-I120 HydrophobicContact CG1-CG1 3.93Å; V100-I120 HydrophobicContact CG1-CG2 3.77Å
101E76.8Confident84.7Confident118 Ų11874.8 Ų74.855%0.55137%0.374SS*.THydrogen-bonded Turntrans-53.7127.2174.6-163.8164-153.500111.4A86 N99 K103A86-E101 HydrophobicContact CB-CB 4.08Å; A86-E101 HydrophobicContact CB-CG 4.41Å; A86-E101 WeakPolarHBondContact CB-OE2 3.43Å; N99-E101 PolarHBondContact ND2-OE2 3.4Å; N99-E101 VanDerWaalsContact ND2-OE2 3.14Å; N99-E101 VanDerWaalsContact OD1-CB 3.25Å; N99-E101 WeakPolarHBondContact OD1-CB 3.41Å; N99-E101 PolarHBondContact OD1-N 3.48Å; E101-K103 PolarHBondContact O-N 3.28Å; E101-K103 VanDerWaalsContact O-N 3.15Å
102G74.4Confident84.7Confident61 Ų6178.1 Ų78.163%0.62941%0.408SS*.THydrogen-bonded Turntrans77.5-20.7-17300000116.2V100 H105V100-G102 PolarHBondContact O-N 3.47Å; G102-H105 PolarHBondContact O-CE1 2.9Å; G102-H105 PolarHBondContact O-ND1 2.8Å
103K79Confident84.9Confident99 Ų9973.3 Ų73.343%0.4340%0.402SS..THydrogen-bonded Turntrans-100.24.1179.6-65.8177.4-174.9164.20113.9V100 E101 H105 Q106 V109V100-K103 HydrophobicContact CG1-CB 4.37Å; V100-K103 PolarHBondContact O-N 3.28Å; E101-K103 PolarHBondContact O-N 3.28Å; E101-K103 VanDerWaalsContact O-N 3.15Å; K103-H105 PolarHBondContact O-N 3.33Å; K103-H105 VanDerWaalsContact O-N 3.1Å; K103-Q106 WeakPolarHBondContact O-CB 3.21Å; K103-Q106 PolarHBondContact O-N 3.5Å; K103-V109 HydrophobicContact CD-CG2 3.88Å
104M76.1Confident85Confident89 Ų8972.9 Ų72.944%0.43840%0.4SS..THydrogen-bonded Turntrans-58.4-22.3177.8-65.5-136.886.400114.4P87 V100 Q106 K121P87-M104 HydrophobicContact CB-CE 3.97Å; P87-M104 HydrophobicContact CB-SD 4.2Å; P87-M104 HydrophobicContact CG-CE 3.87Å; P87-M104 HydrophobicContact CG-CG 3.9Å; P87-M104 HydrophobicContact CG-SD 3.49Å; P87-M104 WeakPolarHBondContact CG-SD 3.45Å; V100-M104 HydrophobicContact CG1-CG 4.25Å; V100-M104 PolarHBondContact O-N 2.92Å; M104-Q106 PolarHBondContact O-N 3.29Å; M104-K121 WeakPolarHBondContact O-CE 3.18Å; M104-K121 PolarHBondContact O-NZ 2.97Å
105H80Confident85Confident135 Ų13576.2 Ų76.263%0.62542%0.415SS*.THydrogen-bonded Turntrans-73.6-15.3175.465.8-86.6000112.7G102 K103G102-H105 PolarHBondContact O-CE1 2.9Å; G102-H105 PolarHBondContact O-ND1 2.8Å; K103-H105 PolarHBondContact O-N 3.33Å; K103-H105 VanDerWaalsContact O-N 3.1Å
106Q84.5Confident85Confident85 Ų8569.5 Ų69.540%0.39738%0.383SS..SBendtrans-94.3148.9-179.8-56.1-176.826.600111.1K103 M104K103-Q106 WeakPolarHBondContact O-CB 3.21Å; K103-Q106 PolarHBondContact O-N 3.5Å; M104-Q106 PolarHBondContact O-N 3.29Å
107H84.8Confident85.1Confident77 Ų7769.3 Ų69.336%0.35638%0.383SS..SBendtrans-77.8-22.8176.7-82.7-90.9000112.9I120 K121 N122 Y129H107-I120 PolarHBondContact O-N 3.41Å; H107-K121 PolarHBondContact O-N 2.98Å; H107-N122 PolarHBondContact CE1-O 3.33Å; H107-N122 PolarHBondContact ND1-O 3.46Å; H107-Y129 WeakPolarHBondContact CB-OH 3.39Å; H107-Y129 PolarHBondContact O-OH 3.27Å
108V86.4Confident85.1Confident35 Ų3563.6 Ų63.621%0.21235%0.354CS..EExtended strand (participates in β ladder)trans-141.7138.4-171.9179.10000109.7A117 Y129 L137 I139V108-A117 HydrophobicContact CG1-CB 3.64Å; V108-Y129 HydrophobicContact CG2-CE1 3.62Å; V108-L137 HydrophobicContact CG1-CD2 3.79Å; V108-L137 HydrophobicContact CG2-CD2 4.09Å; V108-I139 HydrophobicContact CG2-CD1 4.49Å
109V89.9Confident85.2Confident3 Ų364.6 Ų64.62%0.01836%0.361CS..EExtended strand (participates in β ladder)trans-119.114717263.50000110.6I89 I98 K103 A117 T118 I120I89-V109 HydrophobicContact CG2-CG1 4.25Å; I98-V109 HydrophobicContact CD1-CG1 4.26Å; I98-V109 HydrophobicContact CG2-CG1 4.07Å; I98-V109 HydrophobicContact CG2-CG2 3.88Å; K103-V109 HydrophobicContact CD-CG2 3.88Å; V109-A117 CarbonylContact O-C 3.57Å; V109-A117 WeakPolarHBondContact O-CA 3.43Å; V109-T118 PolarHBondContact N-O 2.92Å; V109-T118 PolarHBondContact O-N 3.35Å; V109-I120 HydrophobicContact CB-CD1 3.6Å; V109-I120 HydrophobicContact CB-CG1 3.96Å; V109-I120 HydrophobicContact CG1-CD1 3.86Å; V109-I120 HydrophobicContact CG1-CG1 3.63Å
110K90Very high85.2Confident155 Ų15562.6 Ų62.667%0.67435%0.35SS*.EExtended strand (participates in β ladder)trans-89133.2171-65.8-179.3-178.1177.10109.6
111C89.8Confident85.3Confident1 Ų167 Ų671%0.00737%0.369CS..  trans-67131.1172.9-178.30000110.6C91 C94 S96 I98 V113 N115 E116C91-C111 HydrophobicContact CB-CB 4.07Å; C91-C111 VanDerWaalsContact SG-CB 3.55Å; C94-C111 PolarHBondContact SG-SG 3.12Å; S96-C111 PolarHBondContact OG-SG 3.05Å; I98-C111 HydrophobicContact CD1-CB 3.81Å; I98-C111 HydrophobicContact CG1-CB 4.47Å; C111-V113 PolarHBondContact O-N 2.8Å; C111-V113 PolarHBondContact SG-N 3.14Å; C111-V113 VanDerWaalsContact SG-N 3.4Å; C111-N115 WeakPolarHBondContact O-CA 3.09Å; C111-N115 PolarHBondContact O-N 3.17Å; C111-E116 WeakPolarHBondContact CB-O 3.39Å; C111-E116 PolarHBondContact N-O 3.44Å
112G88.1Confident85.7Confident71 Ų7168.3 Ų68.373%0.73238%0.38SS*.THydrogen-bonded Turntrans-70-19.3176.500000114.2
113V90.1Very high86.2Confident108 Ų10866.7 Ų66.766%0.65536%0.36SS*.THydrogen-bonded Turntrans-88.9-53.6-177.7-177.80000111.5C111C111-V113 PolarHBondContact O-N 2.8Å; C111-V113 PolarHBondContact SG-N 3.14Å; C111-V113 VanDerWaalsContact SG-N 3.4Å
114C88.4Confident86.5Confident39 Ų3963.6 Ų63.626%0.26435%0.35SS..THydrogen-bonded Turntrans-104.5-1.1-177.366.40000114.7C91 C94 E116C91-C114 PolarHBondContact SG-SG 2.99Å; C94-C114 HydrophobicContact CB-CB 3.96Å; C94-C114 PolarHBondContact SG-SG 2.64Å; C114-E116 HydrophobicContact CB-CG 4.5Å; C114-E116 PolarHBondContact O-N 3.37Å
115N89.3Confident87Confident119 Ų11965.6 Ų65.664%0.63637%0.37SS*.  trans58.210.5-175.7-67.4-53.9000115.6C111C111-N115 WeakPolarHBondContact O-CA 3.09Å; C111-N115 PolarHBondContact O-N 3.17Å
116E90.5Very high87.3Confident22 Ų2261.1 Ų61.110%0.10336%0.361CS..  trans-83.6141.4176.4-65.7-67.2170.900112.1V93 C111 C114 N135 R151V93-E116 HydrophobicContact CB-CB 4.24Å; V93-E116 HydrophobicContact CB-CG 4.23Å; V93-E116 HydrophobicContact CG1-CG 4.14Å; V93-E116 HydrophobicContact CG2-CB 3.75Å; V93-E116 HydrophobicContact CG2-CG 3.91Å; C111-E116 WeakPolarHBondContact CB-O 3.39Å; C111-E116 PolarHBondContact N-O 3.44Å; C114-E116 HydrophobicContact CB-CG 4.5Å; C114-E116 PolarHBondContact O-N 3.37Å; E116-N135 HydrophobicContact CG-CB 4.4Å; E116-R151 IonicContact OE1-CZ 3.51Å; E116-R151 IonicContact OE1-NH1 3.61Å; E116-R151 IonicContact OE1-NH2 2.64Å; E116-R151 PolarHBondContact OE1-NH2 3Å; E116-R151 IonicContact OE2-NH2 2.99Å; E116-R151 PolarHBondContact OE2-NH2 3.46Å
117A90.1Very high87.5Confident22 Ų2262.5 Ų62.518%0.18237%0.366CS..EExtended strand (participates in β ladder)trans-74.6134.9178.800000111.7V108 V109 R131 L137V108-A117 HydrophobicContact CG1-CB 3.64Å; V109-A117 CarbonylContact O-C 3.57Å; V109-A117 WeakPolarHBondContact O-CA 3.43Å; A117-R131 PolarHBondContact O-NH2 3.19Å; A117-L137 HydrophobicContact CB-CB 3.83Å; A117-L137 HydrophobicContact CB-CD2 3.89Å
118T88Confident87.7Confident2 Ų260.7 Ų60.71%0.01236%0.356CS..EExtended strand (participates in β ladder)trans-125.9127.3178.6-53.60000108.7I89 V109 I120I89-T118 HydrophobicContact CD1-CG2 4.09Å; I89-T118 HydrophobicContact CG1-CG2 4.45Å; V109-T118 PolarHBondContact N-O 2.92Å; V109-T118 PolarHBondContact O-N 3.35Å; T118-I120 PolarHBondContact O-N 2.9Å
119P86.2Confident87.9Confident36 Ų3661.5 Ų61.523%0.23436%0.356CS..EExtended strand (participates in β ladder)trans-69.9131.2178.629.4-33.5000110.2I89 Y129I89-P119 WeakPolarHBondContact CD1-O 3.32Å; P119-Y129 HydrophobicContact CB-CD2 3.87Å; P119-Y129 HydrophobicContact CB-CE1 4.46Å; P119-Y129 HydrophobicContact CB-CE2 3.6Å; P119-Y129 HydrophobicContact CB-CG 4.39Å; P119-Y129 HydrophobicContact CG-CD2 4.47Å
120I84.9Confident87.9Confident35 Ų3562.1 Ų62.118%0.17936%0.36CS..SBendtrans-91.2-44.1173.9-59.1162.1000109.8V100 H107 V109 T118V100-I120 HydrophobicContact CG1-CD1 3.48Å; V100-I120 VanDerWaalsContact CG1-CD1 3.48Å; V100-I120 HydrophobicContact CG1-CG1 3.93Å; V100-I120 HydrophobicContact CG1-CG2 3.77Å; H107-I120 PolarHBondContact O-N 3.41Å; V109-I120 HydrophobicContact CB-CD1 3.6Å; V109-I120 HydrophobicContact CB-CG1 3.96Å; V109-I120 HydrophobicContact CG1-CD1 3.86Å; V109-I120 HydrophobicContact CG1-CG1 3.63Å; T118-I120 PolarHBondContact O-N 2.9Å
121K83.9Confident88Confident94 Ų9458.4 Ų58.441%0.40934%0.342SS..SBendtrans-118.1160.4-178.2-67.1-178.4174.3175.30110.2M104 H107 Y129M104-K121 WeakPolarHBondContact O-CE 3.18Å; M104-K121 PolarHBondContact O-NZ 2.97Å; H107-K121 PolarHBondContact O-N 2.98Å; K121-Y129 VanDerWaalsContact O-CE2 3.32Å; K121-Y129 WeakPolarHBondContact O-CE2 3.44Å; K121-Y129 PolarHBondContact O-OH 2.89Å
122N84.6Confident88Confident146 Ų14658.4 Ų58.478%0.78134%0.342SS*.PPolyproline II helixtrans-51.7150169.4-66.728.5000110.2H107H107-N122 PolarHBondContact CE1-O 3.33Å; H107-N122 PolarHBondContact ND1-O 3.46Å
123A85Confident88.1Confident27 Ų2759 Ų5922%0.22333%0.333CS..PPolyproline II helixtrans-59.214617800000109.7K127 Y129A123-K127 HydrophobicContact CB-CB 4.38Å; A123-K127 WeakPolarHBondContact CB-O 3.4Å; A123-Y129 HydrophobicContact CB-CD2 3.92Å; A123-Y129 HydrophobicContact CB-CE2 3.71Å; A123-Y129 HydrophobicContact CB-CG 4.46Å
124P86.4Confident88.1Confident34 Ų3455.4 Ų55.422%0.22131%0.312CS..PPolyproline II helixtrans-52.5153.4172.1-23.131.3000111.5G126 K127P124-G126 PolarHBondContact O-N 2.99Å; P124-K127 HydrophobicContact CB-CD 4.48Å; P124-K127 PolarHBondContact O-N 3.34Å
125P85.9Confident88.2Confident131 Ų13156.8 Ų56.885%0.85132%0.317SS*.THydrogen-bonded Turntrans-53.7133.7-179.122.4-33.2000111.4K127P125-K127 VanDerWaalsContact C-N 3.32Å; P125-K127 PolarHBondContact O-N 3.29Å
126G85.6Confident88.3Confident42 Ų4252 Ų5243%0.43329%0.292SS..THydrogen-bonded Turntrans81.7-1.2-17700000115.7P124 K141 V142P124-G126 PolarHBondContact O-N 2.99Å; G126-K141 WeakPolarHBondContact O-CA 3.22Å; G126-V142 PolarHBondContact O-N 3.44Å
127K88.8Confident88.4Confident114 Ų11452.3 Ų52.350%0.49629%0.294SS..EExtended strand (participates in β ladder)trans-116.2155.6175.4-62.2-178.6-177.9178.20111.4A123 P124 P125 I139 C140A123-K127 HydrophobicContact CB-CB 4.38Å; A123-K127 WeakPolarHBondContact CB-O 3.4Å; P124-K127 HydrophobicContact CB-CD 4.48Å; P124-K127 PolarHBondContact O-N 3.34Å; P125-K127 VanDerWaalsContact C-N 3.32Å; P125-K127 PolarHBondContact O-N 3.29Å; K127-I139 HydrophobicContact CB-CG2 3.8Å; K127-I139 HydrophobicContact CD-CG2 3.7Å; K127-I139 HydrophobicContact CG-CG2 4.18Å; K127-C140 CarbonylContact C-O 3.49Å; K127-C140 VanDerWaalsContact CA-O 3.28Å; K127-C140 WeakPolarHBondContact CA-O 3.42Å
128K89.6Confident88.4Confident38 Ų3852.1 Ų52.117%0.16529%0.29CS..EExtended strand (participates in β ladder)trans-132.6147.9172.263-176.9178.3-162.40110.2V130 C140 V142 S144K128-V130 HydrophobicContact CD-CG2 4.42Å; K128-V130 HydrophobicContact CG-CG2 4.21Å; K128-C140 PolarHBondContact N-O 3.33Å; K128-C140 PolarHBondContact O-N 2.69Å; K128-V142 HydrophobicContact CB-CG1 4.22Å; K128-V142 PolarHBondContact NZ-O 2.84Å; K128-S144 PolarHBondContact NZ-O 3.12Å
129Y91.1Very high88.6Confident53 Ų5356.2 Ų56.221%0.20831%0.311CS..EExtended strand (participates in β ladder)trans-82.3135.9168.3-63.2-62.8000110.1H107 V108 P119 K121 A123 L137 L138 I139H107-Y129 WeakPolarHBondContact CB-OH 3.39Å; H107-Y129 PolarHBondContact O-OH 3.27Å; V108-Y129 HydrophobicContact CG2-CE1 3.62Å; P119-Y129 HydrophobicContact CB-CD2 3.87Å; P119-Y129 HydrophobicContact CB-CE1 4.46Å; P119-Y129 HydrophobicContact CB-CE2 3.6Å; P119-Y129 HydrophobicContact CB-CG 4.39Å; P119-Y129 HydrophobicContact CG-CD2 4.47Å; K121-Y129 VanDerWaalsContact O-CE2 3.32Å; K121-Y129 WeakPolarHBondContact O-CE2 3.44Å; K121-Y129 PolarHBondContact O-OH 2.89Å; A123-Y129 HydrophobicContact CB-CD2 3.92Å; A123-Y129 HydrophobicContact CB-CE2 3.71Å; A123-Y129 HydrophobicContact CB-CG 4.46Å; Y129-L137 HydrophobicContact CD1-CD1 4.25Å; Y129-L137 HydrophobicContact CD1-CD2 4.18Å; Y129-L137 HydrophobicContact CD1-CG 4.23Å; Y129-L137 HydrophobicContact CE1-CD2 4.48Å; Y129-L137 HydrophobicContact CG-CD1 4.38Å; Y129-L138 CarbonylContact C-O 3.59Å; Y129-L138 WeakPolarHBondContact CA-O 3.37Å; Y129-I139 HydrophobicContact CD1-CD1 4.5Å; Y129-I139 HydrophobicContact CD1-CG1 3.81Å; Y129-I139 HydrophobicContact CE1-CD1 3.91Å; Y129-I139 HydrophobicContact CE1-CG1 3.73Å
130V90.6Very high88.7Confident16 Ų1655.2 Ų55.210%0.09731%0.305CS..EExtended strand (participates in β ladder)trans-129.8126.4171.8-179.50000107.6K128 L138 I147 L160K128-V130 HydrophobicContact CD-CG2 4.42Å; K128-V130 HydrophobicContact CG-CG2 4.21Å; V130-L138 PolarHBondContact N-O 2.76Å; V130-L138 PolarHBondContact O-N 2.84Å; V130-I147 HydrophobicContact CB-CD1 3.86Å; V130-I147 HydrophobicContact CG1-CD1 3.66Å; V130-I147 HydrophobicContact CG2-CD1 4.24Å; V130-L160 HydrophobicContact CB-CD2 4.38Å; V130-L160 HydrophobicContact CG1-CD2 3.87Å; V130-L160 HydrophobicContact CG2-CD1 3.98Å; V130-L160 HydrophobicContact CG2-CD2 3.57Å; V130-L160 HydrophobicContact CG2-CG 4.39Å
131R90.3Very high88.9Confident76 Ų7659.8 Ų59.829%0.28732%0.324SS..EExtended strand (participates in β ladder)trans-91.8120.3173.5-170.5168.7-70.5-86.72.2108.8A117 N135A117-R131 PolarHBondContact O-NH2 3.19Å; R131-N135 PolarHBondContact NH1-O 2.8Å
132C91.3Very high89Confident2 Ų258 Ų581%0.01432%0.321CS..  trans-67.7149.9170.8-174.90000109.6C134 N135 C136 L138 C149 C154 I158C132-C134 PolarHBondContact O-N 2.82Å; C132-C134 PolarHBondContact SG-SG 2.87Å; C132-N135 WeakPolarHBondContact O-CA 3.23Å; C132-N135 PolarHBondContact O-N 2.89Å; C132-C136 HydrophobicContact CB-CB 4.11Å; C132-C136 PolarHBondContact N-O 3.49Å; C132-L138 HydrophobicContact CB-CD1 3.64Å; C132-C149 HydrophobicContact CB-CB 4.44Å; C132-C154 VanDerWaalsContact SG-SG 3.67Å; C132-I158 HydrophobicContact CB-CD1 3.9Å
133P90.1Very high89Confident84 Ų8455.3 Ų55.355%0.54531%0.309SS..THydrogen-bonded Turntrans-59.5-13.9173-27.336.3000115N135P133-N135 PolarHBondContact O-N 2.95Å
134C90.4Very high88.9Confident31 Ų3155.7 Ų55.721%0.20931%0.31CS..THydrogen-bonded Turntrans-84.515.6168.870.90000113.8C132 C136 C149 C154C132-C134 PolarHBondContact O-N 2.82Å; C132-C134 PolarHBondContact SG-SG 2.87Å; C134-C136 PolarHBondContact O-N 3.19Å; C134-C149 PolarHBondContact SG-SG 3.32Å; C134-C154 HydrophobicContact CB-CB 3.96Å; C134-C154 VanDerWaalsContact CB-SG 3.56Å
135N90.1Very high88.9Confident69 Ų6959.9 Ų59.937%0.36933%0.327SS..SBendtrans68-3.9-175-61.5-42.8000117V93 E116 R131 C132 P133 L137V93-N135 HydrophobicContact CG2-CB 4.18Å; E116-N135 HydrophobicContact CG-CB 4.4Å; R131-N135 PolarHBondContact NH1-O 2.8Å; C132-N135 WeakPolarHBondContact O-CA 3.23Å; C132-N135 PolarHBondContact O-N 2.89Å; P133-N135 PolarHBondContact O-N 2.95Å; N135-L137 PolarHBondContact O-N 2.99Å
136C90.9Very high89Confident18 Ų1862 Ų6212%0.12232%0.318CS..  trans-61.2127174.6-170.90000111.8C132 C134 L138 R151C132-C136 HydrophobicContact CB-CB 4.11Å; C132-C136 PolarHBondContact N-O 3.49Å; C134-C136 PolarHBondContact O-N 3.19Å; C136-L138 HydrophobicContact CB-CD1 4.45Å; C136-L138 WeakPolarHBondContact O-CD1 3.48Å; C136-R151 HydrophobicContact CB-CG 4.4Å
137L91.7Very high89.3Confident28 Ų2860.8 Ų60.815%0.14730%0.301CS..EExtended strand (participates in β ladder)trans-84.5118.2171.9-172.670.6000109.6V108 A117 Y129 N135V108-L137 HydrophobicContact CG1-CD2 3.79Å; V108-L137 HydrophobicContact CG2-CD2 4.09Å; A117-L137 HydrophobicContact CB-CB 3.83Å; A117-L137 HydrophobicContact CB-CD2 3.89Å; Y129-L137 HydrophobicContact CD1-CD1 4.25Å; Y129-L137 HydrophobicContact CD1-CD2 4.18Å; Y129-L137 HydrophobicContact CD1-CG 4.23Å; Y129-L137 HydrophobicContact CE1-CD2 4.48Å; Y129-L137 HydrophobicContact CG-CD1 4.38Å; N135-L137 PolarHBondContact O-N 2.99Å
138L91.4Very high89.5Confident18 Ų1858 Ų589%0.09430%0.299CS..EExtended strand (participates in β ladder)trans-106.6149.1175.1-62.4100.6000110.7Y129 V130 C132 C136 I147 A148Y129-L138 CarbonylContact C-O 3.59Å; Y129-L138 WeakPolarHBondContact CA-O 3.37Å; V130-L138 PolarHBondContact N-O 2.76Å; V130-L138 PolarHBondContact O-N 2.84Å; C132-L138 HydrophobicContact CB-CD1 3.64Å; C136-L138 HydrophobicContact CB-CD1 4.45Å; C136-L138 WeakPolarHBondContact O-CD1 3.48Å; L138-I147 HydrophobicContact CD2-CD1 4.39Å; L138-A148 WeakPolarHBondContact CD2-O 3.48Å
139I90.8Very high89.7Confident89 Ų8956.3 Ų56.346%0.45629%0.293SS..EExtended strand (participates in β ladder)trans-112.3119170.2-53.2176.7000106.6V108 K127 Y129V108-I139 HydrophobicContact CG2-CD1 4.49Å; K127-I139 HydrophobicContact CB-CG2 3.8Å; K127-I139 HydrophobicContact CD-CG2 3.7Å; K127-I139 HydrophobicContact CG-CG2 4.18Å; Y129-I139 HydrophobicContact CD1-CD1 4.5Å; Y129-I139 HydrophobicContact CD1-CG1 3.81Å; Y129-I139 HydrophobicContact CE1-CD1 3.91Å; Y129-I139 HydrophobicContact CE1-CG1 3.73Å
140C89.8Confident89.8Confident14 Ų1458.6 Ų58.610%0.09531%0.314CS..EExtended strand (participates in β ladder)trans-126.7157.5-176.9-55.30000109.8K127 K128 I147K127-C140 CarbonylContact C-O 3.49Å; K127-C140 VanDerWaalsContact CA-O 3.28Å; K127-C140 WeakPolarHBondContact CA-O 3.42Å; K128-C140 PolarHBondContact N-O 3.33Å; K128-C140 PolarHBondContact O-N 2.69Å; C140-I147 HydrophobicContact CB-CG2 3.87Å; C140-I147 WeakPolarHBondContact SG-CG2 3.41Å
141K88.5Confident89.8Confident132 Ų13262.3 Ų62.357%0.57433%0.326SS*.EExtended strand (participates in β ladder)trans-62.1144.4172.1-167.5171.7174.1176.50108.1G126 T143 S144G126-K141 WeakPolarHBondContact O-CA 3.22Å; K141-T143 VanDerWaalsContact CD-OG1 3.23Å; K141-T143 WeakPolarHBondContact CD-OG1 3.22Å; K141-T143 WeakPolarHBondContact CE-OG1 3.48Å; K141-T143 WeakPolarHBondContact CG-OG1 3.25Å; K141-T143 PolarHBondContact O-N 2.82Å; K141-T143 VanDerWaalsContact O-N 3.12Å; K141-S144 WeakPolarHBondContact CB-OG 3.28Å; K141-S144 PolarHBondContact N-OG 3.49Å; K141-S144 VanDerWaalsContact O-CB 3.25Å; K141-S144 WeakPolarHBondContact O-CB 3.35Å; K141-S144 PolarHBondContact O-N 3.02Å; K141-S144 PolarHBondContact O-OG 2.98Å
142V85.5Confident89.9Confident57 Ų5763 Ų6335%0.34534%0.34SS..THydrogen-bonded Turntrans-55-33.3177.3-69.30000111.8G126 K128 S144G126-V142 PolarHBondContact O-N 3.44Å; K128-V142 HydrophobicContact CB-CG1 4.22Å; K128-V142 PolarHBondContact NZ-O 2.84Å; V142-S144 VanDerWaalsContact C-N 3.34Å; V142-S144 PolarHBondContact O-N 3.12Å
143T84.6Confident90Very high89 Ų8973.8 Ų73.855%0.54638%0.382SS..THydrogen-bonded Turntrans-79.2-6.4176.768.70000114.7K141 Q145K141-T143 VanDerWaalsContact CD-OG1 3.23Å; K141-T143 WeakPolarHBondContact CD-OG1 3.22Å; K141-T143 WeakPolarHBondContact CE-OG1 3.48Å; K141-T143 WeakPolarHBondContact CG-OG1 3.25Å; K141-T143 PolarHBondContact O-N 2.82Å; K141-T143 VanDerWaalsContact O-N 3.12Å; T143-Q145 PolarHBondContact O-N 3.19Å
144S84.7Confident90.1Very high34 Ų3471.1 Ų71.124%0.23837%0.366CS..  trans-66.6118178.1-64.70000109.7K128 K141 V142 L160K128-S144 PolarHBondContact NZ-O 3.12Å; K141-S144 WeakPolarHBondContact CB-OG 3.28Å; K141-S144 PolarHBondContact N-OG 3.49Å; K141-S144 VanDerWaalsContact O-CB 3.25Å; K141-S144 WeakPolarHBondContact O-CB 3.35Å; K141-S144 PolarHBondContact O-N 3.02Å; K141-S144 PolarHBondContact O-OG 2.98Å; V142-S144 VanDerWaalsContact C-N 3.34Å; V142-S144 PolarHBondContact O-N 3.12Å; S144-L160 WeakPolarHBondContact O-CB 3.36Å; S144-L160 WeakPolarHBondContact O-CD1 3.44Å
145Q86Confident90.1Very high122 Ų12276.9 Ų76.957%0.5739%0.387SS*.  trans-92.6-28.3176.2-65.6178.3-5.300112.5T143 N159 L160T143-Q145 PolarHBondContact O-N 3.19Å; Q145-N159 CarbonylContact O-C 3.48Å; Q145-N159 WeakPolarHBondContact O-CA 3.08Å; Q145-L160 CarbonylContact C-O 3.52Å; Q145-L160 VanDerWaalsContact CA-O 3.23Å; Q145-L160 WeakPolarHBondContact CA-O 3.39Å; Q145-L160 CarbonylContact O-C 3.47Å; Q145-L160 PolarHBondContact O-N 3.22Å
146R88.3Confident90.1Very high177 Ų17779.8 Ų79.867%0.66839%0.393SS*.EExtended strand (participates in β ladder)trans-134.5124.7-178.2-169173.9-172-117.3-0.9109.1I157R146-I157 HydrophobicContact CG-CG2 3.42Å; R146-I157 VanDerWaalsContact CG-CG2 3.42Å
147I91.4Very high90.2Very high15 Ų1582.3 Ų82.38%0.07740%0.404CS..EExtended strand (participates in β ladder)trans-130.8150.1-179.564.7161.2000109.6V130 L138 C140 I157 I158 L160V130-I147 HydrophobicContact CB-CD1 3.86Å; V130-I147 HydrophobicContact CG1-CD1 3.66Å; V130-I147 HydrophobicContact CG2-CD1 4.24Å; L138-I147 HydrophobicContact CD2-CD1 4.39Å; C140-I147 HydrophobicContact CB-CG2 3.87Å; C140-I147 WeakPolarHBondContact SG-CG2 3.41Å; I147-I157 CarbonylContact O-C 3.56Å; I147-I157 WeakPolarHBondContact O-CA 3.23Å; I147-I158 HydrophobicContact CD1-CB 4.3Å; I147-I158 HydrophobicContact CD1-CD1 4.09Å; I147-I158 HydrophobicContact CG1-CB 3.81Å; I147-I158 HydrophobicContact CG1-CD1 4.36Å; I147-I158 PolarHBondContact N-O 2.84Å; I147-I158 PolarHBondContact O-N 3.25Å; I147-L160 HydrophobicContact CB-CD1 4.32Å; I147-L160 HydrophobicContact CD1-CD1 3.84Å; I147-L160 HydrophobicContact CG1-CD1 3.78Å; I147-L160 HydrophobicContact CG1-CG 4.44Å; I147-L160 HydrophobicContact CG2-CD1 3.61Å
148A92Very high90Very high56 Ų5682.5 Ų82.546%0.46341%0.405SS..EExtended strand (participates in β ladder)trans-114.1138.2177.100000110.1L138 I157L138-A148 WeakPolarHBondContact CD2-O 3.48Å; A148-I157 HydrophobicContact CB-CD1 3.52Å
149C93.7Very high89.8Confident3 Ų387.5 Ų87.52%0.0243%0.432CS..  trans-71.1125.7173-176.20000111.1C132 C134 R151 C154 K155 R156C132-C149 HydrophobicContact CB-CB 4.44Å; C134-C149 PolarHBondContact SG-SG 3.32Å; C149-R151 PolarHBondContact O-N 2.71Å; C149-C154 HydrophobicContact CB-CB 4.2Å; C149-K155 WeakPolarHBondContact O-CA 3.48Å; C149-R156 PolarHBondContact N-O 3.25Å
150P92.8Very high89.3Confident101 Ų10184.7 Ų84.766%0.65642%0.418SS*.  trans-73.2-12.9-178.129.9-36.6000113.8
151R92.3Very high88.3Confident93 Ų9386.5 Ų86.535%0.35144%0.439SS..  trans-60.4130.1178.8-71.8-169.2-179.1-146.71.5110.9E116 C136 C149 Y153 C154 K155E116-R151 IonicContact OE1-CZ 3.51Å; E116-R151 IonicContact OE1-NH1 3.61Å; E116-R151 IonicContact OE1-NH2 2.64Å; E116-R151 PolarHBondContact OE1-NH2 3Å; E116-R151 IonicContact OE2-NH2 2.99Å; E116-R151 PolarHBondContact OE2-NH2 3.46Å; C136-R151 HydrophobicContact CB-CG 4.4Å; C149-R151 PolarHBondContact O-N 2.71Å; R151-Y153 PolarHBondContact O-N 2.76Å; R151-Y153 VanDerWaalsContact O-N 3.14Å; R151-C154 HydrophobicContact CB-CB 3.92Å; R151-C154 PolarHBondContact O-N 2.96Å; R151-K155 PolarHBondContact O-N 2.95Å; R151-K155 VanDerWaalsContact O-N 3.12Å
152P92.2Very high87.2Confident91 Ų9184.3 Ų84.359%0.59144%0.438SS*.THydrogen-bonded Turntrans-58.4-32.5-176.622-32.7000112.8K155P152-K155 WeakPolarHBondContact O-CE 3.36Å
153Y92Very high85.8Confident228 Ų22886 Ų8689%0.89445%0.448SS*.THydrogen-bonded Turntrans-91.7-12.9180-52.9-71.7000115R151R151-Y153 PolarHBondContact O-N 2.76Å; R151-Y153 VanDerWaalsContact O-N 3.14Å
154C92.5Very high84.5Confident29 Ų2989.4 Ų89.420%0.19646%0.457CS..THydrogen-bonded Turntrans-98.1-54.3-180-172.60000111.6C132 C134 C149 R151 R156C132-C154 VanDerWaalsContact SG-SG 3.67Å; C134-C154 HydrophobicContact CB-CB 3.96Å; C134-C154 VanDerWaalsContact CB-SG 3.56Å; C149-C154 HydrophobicContact CB-CB 4.2Å; R151-C154 HydrophobicContact CB-CB 3.92Å; R151-C154 PolarHBondContact O-N 2.96Å; C154-R156 PolarHBondContact O-N 3.14Å
155K90.5Very high82.8Confident152 Ų15293.8 Ų93.866%0.66149%0.485SS*.  trans39.420.8-177.8-64.7-173.4-179.6179.80116.1C149 R151 P152 I157C149-K155 WeakPolarHBondContact O-CA 3.48Å; R151-K155 PolarHBondContact O-N 2.95Å; R151-K155 VanDerWaalsContact O-N 3.12Å; P152-K155 WeakPolarHBondContact O-CE 3.36Å; K155-I157 PolarHBondContact O-N 3.25Å
156R91.3Very high80.9Confident130 Ų13090.3 Ų90.349%0.49148%0.482SS..  trans-74.2132.2-170.9-173.3180-59.8179.75.5109.3C149 C154C149-R156 PolarHBondContact N-O 3.25Å; C154-R156 PolarHBondContact O-N 3.14Å
157I91.5Very high78.8Confident70 Ų7087.9 Ų87.936%0.35949%0.489SS..EExtended strand (participates in β ladder)trans-82.3126.4170.7-52.7-53.9000108.6R146 I147 A148 K155R146-I157 HydrophobicContact CG-CG2 3.42Å; R146-I157 VanDerWaalsContact CG-CG2 3.42Å; I147-I157 CarbonylContact O-C 3.56Å; I147-I157 WeakPolarHBondContact O-CA 3.23Å; A148-I157 HydrophobicContact CB-CD1 3.52Å; K155-I157 PolarHBondContact O-N 3.25Å
158I87.3Confident76.5Confident32 Ų3295.7 Ų95.716%0.16453%0.53CS..EExtended strand (participates in β ladder)trans-111.9119.9176.4-52.7163.6000107.4C132 I147 L160C132-I158 HydrophobicContact CB-CD1 3.9Å; I147-I158 HydrophobicContact CD1-CB 4.3Å; I147-I158 HydrophobicContact CD1-CD1 4.09Å; I147-I158 HydrophobicContact CG1-CB 3.81Å; I147-I158 HydrophobicContact CG1-CD1 4.36Å; I147-I158 PolarHBondContact N-O 2.84Å; I147-I158 PolarHBondContact O-N 3.25Å; I158-L160 PolarHBondContact O-N 2.64Å
159N87.3Confident74.5Confident123 Ų12397.6 Ų97.666%0.65854%0.54SS*.EExtended strand (participates in β ladder)trans-87.5105.6172.4-62.3-32.9000107.9Q145Q145-N159 CarbonylContact O-C 3.48Å; Q145-N159 WeakPolarHBondContact O-CA 3.08Å
160L80.1Confident72.5Confident31 Ų31103.2 Ų103.216%0.16258%0.576CS.*  trans-81.3111.5168.1-63.9152000105.2V130 S144 Q145 I147 I158V130-L160 HydrophobicContact CB-CD2 4.38Å; V130-L160 HydrophobicContact CG1-CD2 3.87Å; V130-L160 HydrophobicContact CG2-CD1 3.98Å; V130-L160 HydrophobicContact CG2-CD2 3.57Å; V130-L160 HydrophobicContact CG2-CG 4.39Å; S144-L160 WeakPolarHBondContact O-CB 3.36Å; S144-L160 WeakPolarHBondContact O-CD1 3.44Å; Q145-L160 CarbonylContact C-O 3.52Å; Q145-L160 VanDerWaalsContact CA-O 3.23Å; Q145-L160 WeakPolarHBondContact CA-O 3.39Å; Q145-L160 CarbonylContact O-C 3.47Å; Q145-L160 PolarHBondContact O-N 3.22Å; I147-L160 HydrophobicContact CB-CD1 4.32Å; I147-L160 HydrophobicContact CD1-CD1 3.84Å; I147-L160 HydrophobicContact CG1-CD1 3.78Å; I147-L160 HydrophobicContact CG1-CG 4.44Å; I147-L160 HydrophobicContact CG2-CD1 3.61Å; I158-L160 PolarHBondContact O-N 2.64Å
161G70.1Confident70.4Confident51 Ų51105.8 Ų105.853%0.52658%0.58SS.*  trans-50.2158.4179.400000112.5V163G161-V163 PolarHBondContact O-N 3.21Å
162P64.8Low68.5Low87 Ų87106.3 Ų106.357%0.56560%0.595SS**  trans-53.4111.7178.6-20.330.5000110.1H164P162-H164 VanDerWaalsContact C-N 3.26Å; P162-H164 PolarHBondContact O-N 3.15Å
163V57Low66.7Low91 Ų91109.3 Ų109.355%0.55260%0.601SS**  trans-76.486.8172.5-175.70000106.1G161 P165G161-V163 PolarHBondContact O-N 3.21Å; V163-P165 VanDerWaalsContact O-CD 3.28Å; V163-P165 WeakPolarHBondContact O-CD 3.28Å
164H56.3Low64.9Low161 Ų161103 Ų10375%0.74559%0.588SS**  trans-70.6116.4169.6-106.3-77.9000108.4P162 G166P162-H164 VanDerWaalsContact C-N 3.26Å; P162-H164 PolarHBondContact O-N 3.15Å; H164-G166 PolarHBondContact O-N 2.94Å
165P49.9Very low63.2Low126 Ų126108.6 Ų108.682%0.81861%0.613SS**  trans-81.597.9170.428-19.5000107.9V163V163-P165 VanDerWaalsContact O-CD 3.28Å; V163-P165 WeakPolarHBondContact O-CD 3.28Å
166G46.3Very low62.1Low49 Ų49102.7 Ų102.751%0.50560%0.596SS.*SBendtrans174.4125.817300000112.2H164H164-G166 PolarHBondContact O-N 2.94Å
167P43.5Very low61.2Low126 Ų12699.6 Ų99.682%0.81859%0.591SS**SBendtrans-68.1136.4160.831.5-27.7000106.3
168L44.1Very low60.7Low179 Ų179103.3 Ų103.394%0.93760%0.6SS**SBendtrans97.759.4-172.2-50.6156.2000115
169S49.1Very low60.2Low97 Ų97101.8 Ų101.868%0.67859%0.592SS**  trans-159.6124.3145.6-144.60000110.1E171S169-E171 PolarHBondContact O-N 2.7Å
170P52.3Low60Low120 Ų12099 Ų9978%0.77958%0.577SS**  trans-61.3127.5173.2-9.824.3000107.7
171E48.6Very low60.1Low156 Ų15697.5 Ų97.573%0.72957%0.569SS**  trans-20.6128.3159.6-17881.7130.400110.8S169 Q173S169-E171 PolarHBondContact O-N 2.7Å; E171-Q173 PolarHBondContact O-N 2.71Å
172P51.7Low60.5Low103 Ų10395.7 Ų95.767%0.66955%0.551SS**  trans-65.287.5170.127.8-30.5000106.6
173Q54.3Low61.3Low154 Ų15495 Ų9572%0.7254%0.54SS*.  trans-46.9135.9167.3-71.9-160.730.500105.6E171 M175E171-Q173 PolarHBondContact O-N 2.71Å; Q173-M175 WeakPolarHBondContact O-CA 3.03Å; Q173-M175 PolarHBondContact O-N 3.12Å
174P54.4Low62.7Low95 Ų9592.6 Ų92.662%0.61753%0.527SS*.  trans-47.5108.3179.118.8-30.8000107.2G176P174-G176 PolarHBondContact O-N 3.44Å
175M57.6Low64Low148 Ų14893.2 Ų93.273%0.72953%0.527SS*.  trans-66.489.3-169.3-85.9-94.9-161.500106.1Q173Q173-M175 WeakPolarHBondContact O-CA 3.03Å; Q173-M175 PolarHBondContact O-N 3.12Å
176G66.7Low65.5Low28 Ų2890.8 Ų90.829%0.28951%0.507SS..  trans-161.7136.8-174.100000112.1P174 W190P174-G176 PolarHBondContact O-N 3.44Å; G176-W190 CarbonylContact C-O 3.51Å; G176-W190 WeakPolarHBondContact CA-O 2.88Å
177V72.8Confident67.2Low64 Ų6492.1 Ų92.139%0.38851%0.506SS..EExtended strand (participates in β ladder)trans-90.7130.7-178.6-178.50000108V179 W190 P279V177-V179 HydrophobicContact CB-CG2 4.24Å; V177-V179 HydrophobicContact CG1-CG2 3.9Å; V177-V179 PolarHBondContact O-N 3.22Å; V177-W190 PolarHBondContact N-O 3.08Å; V177-W190 WeakPolarHBondContact O-CB 3.42Å; V177-W190 PolarHBondContact O-N 2.94Å; V177-P279 HydrophobicContact CG1-CB 3.77Å
178R79.9Confident68.9Low148 Ų14886.9 Ų86.956%0.55847%0.47SS*.EExtended strand (participates in β ladder)trans-70.7119.9167.3-71.1-175-175.4-177.52.9108.3T187 V280R178-T187 HydrophobicContact CB-CG2 4.17Å; R178-V280 HydrophobicContact CB-CB 4.3Å; R178-V280 PolarHBondContact O-N 3.46Å
179V77.4Confident70.6Confident0 Ų082.4 Ų82.40%045%0.447CS..EExtended strand (participates in β ladder)trans-123.4133.6-177.4176.40000109.2V177 T187 F188 I210V177-V179 HydrophobicContact CB-CG2 4.24Å; V177-V179 HydrophobicContact CG1-CG2 3.9Å; V177-V179 PolarHBondContact O-N 3.22Å; V179-T187 WeakPolarHBondContact O-CA 3.44Å; V179-F188 HydrophobicContact CB-CD1 4.46Å; V179-F188 HydrophobicContact CB-CE1 3.93Å; V179-F188 HydrophobicContact CB-CZ 4.07Å; V179-F188 HydrophobicContact CG1-CE1 3.76Å; V179-F188 HydrophobicContact CG1-CZ 3.94Å; V179-F188 PolarHBondContact N-O 2.95Å; V179-F188 WeakPolarHBondContact O-CD1 3.32Å; V179-F188 WeakPolarHBondContact O-CE1 3.47Å; V179-F188 PolarHBondContact O-N 2.78Å; V179-I210 HydrophobicContact CB-CD1 4.35Å; V179-I210 HydrophobicContact CG1-CD1 4.1Å; V179-I210 HydrophobicContact CG1-CG1 3.95Å; V179-I210 HydrophobicContact CG2-CD1 3.93Å; V179-I210 HydrophobicContact CG2-CG1 4.37Å; V179-I210 HydrophobicContact CG2-CG2 3.96Å
180I82.7Confident71.6Confident64 Ų6480.1 Ų80.133%0.32842%0.423SS..EExtended strand (participates in β ladder)trans-87.5120.4171.1-68.4163.5000108.1G182 S277 H278 V280I180-G182 PolarHBondContact O-N 3.09Å; I180-S277 WeakPolarHBondContact O-CA 3.26Å; I180-S277 WeakPolarHBondContact O-CB 3.31Å; I180-H278 PolarHBondContact N-O 2.98Å; I180-V280 HydrophobicContact CB-CG2 4.45Å; I180-V280 HydrophobicContact CD1-CG2 3.38Å; I180-V280 HydrophobicContact CG1-CG2 3.39Å
181C83.2Confident72.4Confident1 Ų178.2 Ų78.21%0.00741%0.409CS..  trans-60.7129.5176179.40000111H183 K185 N186 F188 C201 C204C181-H183 PolarHBondContact O-N 3.16Å; C181-H183 PolarHBondContact SG-N 2.76Å; C181-K185 VanDerWaalsContact O-CA 3.23Å; C181-K185 WeakPolarHBondContact O-CA 3.48Å; C181-K185 PolarHBondContact O-N 3.02Å; C181-N186 PolarHBondContact N-O 3.39Å; C181-F188 HydrophobicContact CB-CD1 4.31Å; C181-F188 HydrophobicContact CB-CE1 4.05Å; C181-C201 HydrophobicContact CB-CB 4.08Å; C181-C201 VanDerWaalsContact CB-SG 3.59Å; C181-C201 WeakPolarHBondContact SG-CB 3.35Å; C181-C204 VanDerWaalsContact SG-SG 3.67Å
182G77.8Confident73.2Confident13 Ų1377.3 Ų77.313%0.13441%0.405CS..THydrogen-bonded Turntrans-63.6-24.6176.200000113.3I180 K275I180-G182 PolarHBondContact O-N 3.09Å; G182-K275 WeakPolarHBondContact O-CD 3.48Å; G182-K275 WeakPolarHBondContact O-CE 3.5Å
183H82.7Confident73.7Confident72 Ų7279.3 Ų79.333%0.33340%0.404SS..THydrogen-bonded Turntrans-89.5-49-174.3-61.8-73.1000114C181 K206 V207 S208C181-H183 PolarHBondContact O-N 3.16Å; C181-H183 PolarHBondContact SG-N 2.76Å; H183-K206 HydrophobicContact CB-CB 4.29Å; H183-K206 HydrophobicContact CB-CD 3.86Å; H183-K206 WeakPolarHBondContact CD2-CB 3Å; H183-V207 PolarHBondContact NE2-O 3.05Å; H183-S208 PolarHBondContact CD2-OG 3.06Å; H183-S208 PolarHBondContact NE2-OG 2.98Å
184C85Confident73.8Confident41 Ų4176.6 Ų76.628%0.27740%0.397SS..THydrogen-bonded Turntrans-109.7-2.1-175.9660000113.9N186 C201 C204C184-N186 PolarHBondContact O-N 3.35Å; C184-C201 PolarHBondContact SG-SG 2.95Å; C184-C204 HydrophobicContact CB-CB 3.99Å
185K83.4Confident73.6Confident174 Ų17478.3 Ų78.376%0.75740%0.401SS*.  trans606.4-177.5-54.8179.7-178.81780115.5C181C181-K185 VanDerWaalsContact O-CA 3.23Å; C181-K185 WeakPolarHBondContact O-CA 3.48Å; C181-K185 PolarHBondContact O-N 3.02Å
186N83.1Confident73.4Confident75 Ų7580.6 Ų80.640%0.40140%0.402SS..  trans-75.4139.8173.1-70.9-16.2000111.1C181 C184 H203C181-N186 PolarHBondContact N-O 3.39Å; C184-N186 PolarHBondContact O-N 3.35Å; N186-H203 HydrophobicContact CB-CB 4.36Å; N186-H203 WeakPolarHBondContact CB-CD2 3.38Å; N186-H203 VanDerWaalsContact ND2-CG 3.32Å
187T81.9Confident73.3Confident77 Ų7781.5 Ų81.547%0.47240%0.402SS..EExtended strand (participates in β ladder)trans-81.2128.5174.8-540000109.5R178 V179R178-T187 HydrophobicContact CB-CG2 4.17Å; V179-T187 WeakPolarHBondContact O-CA 3.44Å
188F79.2Confident73Confident16 Ų1681.2 Ų81.27%0.0740%0.398CS..EExtended strand (participates in β ladder)trans-129.9153.8174.367.4-73.7000110.2V179 C181 W190 A199 P202 I210V179-F188 HydrophobicContact CB-CD1 4.46Å; V179-F188 HydrophobicContact CB-CE1 3.93Å; V179-F188 HydrophobicContact CB-CZ 4.07Å; V179-F188 HydrophobicContact CG1-CE1 3.76Å; V179-F188 HydrophobicContact CG1-CZ 3.94Å; V179-F188 PolarHBondContact N-O 2.95Å; V179-F188 WeakPolarHBondContact O-CD1 3.32Å; V179-F188 WeakPolarHBondContact O-CE1 3.47Å; V179-F188 PolarHBondContact O-N 2.78Å; C181-F188 HydrophobicContact CB-CD1 4.31Å; C181-F188 HydrophobicContact CB-CE1 4.05Å; F188-W190 AromaticContact CE2-CE3 3.73Å; F188-W190 HydrophobicContact CE2-CE3 3.73Å; F188-W190 HydrophobicContact CE2-CZ3 4.3Å; F188-W190 HydrophobicContact CZ-CE3 4.42Å; F188-A199 HydrophobicContact CE2-CB 4.29Å; F188-A199 HydrophobicContact CZ-CB 3.99Å; F188-P202 HydrophobicContact CB-CG 3.81Å; F188-P202 HydrophobicContact CD2-CG 4.45Å; F188-P202 HydrophobicContact CG-CG 4.31Å; F188-I210 HydrophobicContact CZ-CD1 4.35Å
189L78.3Confident72.7Confident85 Ų8574.2 Ų74.245%0.44537%0.372SS..EExtended strand (participates in β ladder)trans-95.8117-179.5-157.8147.4000108.3T191L189-T191 HydrophobicContact CD2-CG2 3.11Å; L189-T191 PolarHBondContact O-N 2.88Å
190W71.3Confident72.7Confident49 Ų4982.6 Ų82.619%0.18640%0.403CS..EExtended strand (participates in β ladder)trans-9092.1178.5-177.9-78.4000109.2G176 V177 F188 E192 L198 A199 I210G176-W190 CarbonylContact C-O 3.51Å; G176-W190 WeakPolarHBondContact CA-O 2.88Å; V177-W190 PolarHBondContact N-O 3.08Å; V177-W190 WeakPolarHBondContact O-CB 3.42Å; V177-W190 PolarHBondContact O-N 2.94Å; F188-W190 AromaticContact CE2-CE3 3.73Å; F188-W190 HydrophobicContact CE2-CE3 3.73Å; F188-W190 HydrophobicContact CE2-CZ3 4.3Å; F188-W190 HydrophobicContact CZ-CE3 4.42Å; W190-E192 PolarHBondContact NE1-O 2.84Å; W190-E192 VanDerWaalsContact NE1-O 3.12Å; W190-L198 VanDerWaalsContact CH2-O 3.26Å; W190-L198 WeakPolarHBondContact CH2-O 3.35Å; W190-A199 HydrophobicContact CE3-CB 3.49Å; W190-A199 VanDerWaalsContact CE3-CB 3.49Å; W190-A199 HydrophobicContact CH2-CB 3.5Å; W190-A199 VanDerWaalsContact CH2-CB 3.5Å; W190-A199 HydrophobicContact CZ2-CB 4.5Å; W190-A199 HydrophobicContact CZ3-CB 2.93Å; W190-I210 HydrophobicContact CB-CD1 4.4Å; W190-I210 HydrophobicContact CD2-CD1 3.44Å; W190-I210 VanDerWaalsContact CD2-CD1 3.44Å; W190-I210 HydrophobicContact CE3-CD1 3.29Å; W190-I210 HydrophobicContact CG-CD1 3.99Å; W190-I210 HydrophobicContact CH2-CD1 4.35Å; W190-I210 HydrophobicContact CZ2-CD1 4.43Å; W190-I210 HydrophobicContact CZ3-CD1 3.86Å
191T68.4Low72.6Confident80 Ų8079.6 Ų79.649%0.49139%0.388SS..  trans-88.5-14.4178.747.50000114.3L189L189-T191 HydrophobicContact CD2-CG2 3.11Å; L189-T191 PolarHBondContact O-N 2.88Å
192E64.8Low72.6Confident136 Ų13683.7 Ų83.764%0.63642%0.415SS*.  trans-123.299.4-159.3-163147.7-142.500109.8W190 T194W190-E192 PolarHBondContact NE1-O 2.84Å; W190-E192 VanDerWaalsContact NE1-O 3.12Å; E192-T194 WeakPolarHBondContact CG-OG1 3.49Å; E192-T194 PolarHBondContact O-N 3.44Å
193F62.2Low72.8Confident146 Ų14688 Ų8864%0.6443%0.431SS*.  trans-73.529.4-178.8-65.7-86.4000113.4D195F193-D195 PolarHBondContact O-N 3.29Å; F193-D195 VanDerWaalsContact O-N 3.15Å
194T57.5Low72.9Confident96 Ų9686.5 Ų86.559%0.58943%0.428SS*.  trans-68.5-22.3-154.5-68.50000115.9E192E192-T194 WeakPolarHBondContact CG-OG1 3.49Å; E192-T194 PolarHBondContact O-N 3.44Å
195D50.4Low72.6Confident131 Ų13193.6 Ų93.670%0.70145%0.449SS*.SBendtrans178.3114.5161.3-102.9-40.3000113.2F193F193-D195 PolarHBondContact O-N 3.29Å; F193-D195 VanDerWaalsContact O-N 3.15Å
196R53.7Low72.4Confident196 Ų19691.1 Ų91.174%0.7444%0.438SS*.SBendtrans71.373.2158.8-48.3171.5173.9-178.5-2.6118.4L198R196-L198 WeakPolarHBondContact O-CB 3.14Å; R196-L198 WeakPolarHBondContact O-CD1 3.48Å; R196-L198 WeakPolarHBondContact O-CG 3.13Å; R196-L198 PolarHBondContact O-N 3.16Å
197T63.4Low71.9Confident48 Ų4890.3 Ų90.329%0.29444%0.436SS..SBendtrans53.21.8152.761.80000119.8S209 I210 Y214T197-S209 WeakPolarHBondContact O-CA 3.38Å; T197-I210 PolarHBondContact O-N 3.5Å; T197-Y214 HydrophobicContact CG2-CD1 3.29Å; T197-Y214 HydrophobicContact CG2-CE1 3.89Å; T197-Y214 HydrophobicContact CG2-CG 3.79Å
198L67.8Low71.3Confident58 Ų5886.7 Ų86.730%0.30441%0.414SS..EExtended strand (participates in β ladder)trans-118.4116.2-169.7-79141.7000106.9W190 R196 V207 W271 M274W190-L198 VanDerWaalsContact CH2-O 3.26Å; W190-L198 WeakPolarHBondContact CH2-O 3.35Å; R196-L198 WeakPolarHBondContact O-CB 3.14Å; R196-L198 WeakPolarHBondContact O-CD1 3.48Å; R196-L198 WeakPolarHBondContact O-CG 3.13Å; R196-L198 PolarHBondContact O-N 3.16Å; L198-V207 HydrophobicContact CB-CG1 3.96Å; L198-V207 HydrophobicContact CD2-CG1 3.48Å; L198-V207 VanDerWaalsContact CD2-CG1 3.48Å; L198-V207 HydrophobicContact CG-CG1 4.36Å; L198-W271 HydrophobicContact CD1-CH2 4.12Å; L198-W271 HydrophobicContact CD1-CZ3 4.24Å; L198-W271 HydrophobicContact CD2-CH2 4.45Å; L198-W271 HydrophobicContact CD2-CZ3 4.09Å; L198-M274 HydrophobicContact CD2-SD 4.2Å
199A72.5Confident70.8Confident0 Ų086.2 Ų86.20%041%0.412CS..EExtended strand (participates in β ladder)trans-112.6123.8-173.200000113.1F188 W190 V207 S208 I210F188-A199 HydrophobicContact CE2-CB 4.29Å; F188-A199 HydrophobicContact CZ-CB 3.99Å; W190-A199 HydrophobicContact CE3-CB 3.49Å; W190-A199 VanDerWaalsContact CE3-CB 3.49Å; W190-A199 HydrophobicContact CH2-CB 3.5Å; W190-A199 VanDerWaalsContact CH2-CB 3.5Å; W190-A199 HydrophobicContact CZ2-CB 4.5Å; W190-A199 HydrophobicContact CZ3-CB 2.93Å; A199-V207 CarbonylContact O-C 3.58Å; A199-V207 WeakPolarHBondContact O-CA 3.5Å; A199-S208 WeakPolarHBondContact CA-O 3.31Å; A199-S208 WeakPolarHBondContact CB-O 3.35Å; A199-S208 PolarHBondContact N-O 3.04Å; A199-S208 PolarHBondContact O-N 3.41Å; A199-I210 HydrophobicContact CB-CD1 3.19Å; A199-I210 HydrophobicContact CB-CG1 3.41Å; A199-I210 VanDerWaalsContact CB-CG1 3.41Å
200R77.2Confident70.1Confident176 Ų17683.7 Ų83.766%0.66440%0.399SS*.EExtended strand (participates in β ladder)trans-87.2117.3172.3-151.1172.9-169.5-178.14.1108.9R205 V207R200-R205 WeakPolarHBondContact CG-O 3.37Å; R200-R205 PolarHBondContact NE-O 2.62Å; R200-R205 VanDerWaalsContact NE-O 3.09Å; R200-V207 HydrophobicContact CG-CG2 4.45Å
201C81.3Confident69.7Low2 Ų282.4 Ų82.41%0.01440%0.401CS..  trans-69.5130.1178179.20000110.3C181 C184 H203 C204 R205 K206C181-C201 HydrophobicContact CB-CB 4.08Å; C181-C201 VanDerWaalsContact CB-SG 3.59Å; C181-C201 WeakPolarHBondContact SG-CB 3.35Å; C184-C201 PolarHBondContact SG-SG 2.95Å; C201-H203 PolarHBondContact O-N 3.01Å; C201-H203 PolarHBondContact SG-N 2.86Å; C201-H203 VanDerWaalsContact SG-N 3.44Å; C201-C204 VanDerWaalsContact CB-SG 3.52Å; C201-R205 WeakPolarHBondContact O-CA 3.49Å; C201-R205 PolarHBondContact O-N 3.48Å; C201-K206 PolarHBondContact N-O 3.47Å; C201-K206 VanDerWaalsContact N-O 3.08Å
202P82.5Confident69Low86 Ų8686 Ų8656%0.55841%0.405SS*.THydrogen-bonded Turntrans-66.4-23.3177.925.6-33.5000113.1F188F188-P202 HydrophobicContact CB-CG 3.81Å; F188-P202 HydrophobicContact CD2-CG 4.45Å; F188-P202 HydrophobicContact CG-CG 4.31Å
203H82.8Confident68.7Low105 Ų10590 Ų9049%0.48642%0.415SS..THydrogen-bonded Turntrans-83.9-46-177.4-56-76.7000113.2N186 C201N186-H203 HydrophobicContact CB-CB 4.36Å; N186-H203 WeakPolarHBondContact CB-CD2 3.38Å; N186-H203 VanDerWaalsContact ND2-CG 3.32Å; C201-H203 PolarHBondContact O-N 3.01Å; C201-H203 PolarHBondContact SG-N 2.86Å; C201-H203 VanDerWaalsContact SG-N 3.44Å
204C84Confident68.4Low39 Ų3988.9 Ų88.926%0.26441%0.407SS..THydrogen-bonded Turntrans-110.5-5-176.164.40000114.2C181 C184 C201 K206C181-C204 VanDerWaalsContact SG-SG 3.67Å; C184-C204 HydrophobicContact CB-CB 3.99Å; C201-C204 VanDerWaalsContact CB-SG 3.52Å; C204-K206 PolarHBondContact O-N 2.9Å
205R80.1Confident68.7Low191 Ų19185.1 Ų85.172%0.72138%0.384SS*.  trans56.75.2-177-58.3-177.1-178.9175.50.1115.6R200 C201R200-R205 WeakPolarHBondContact CG-O 3.37Å; R200-R205 PolarHBondContact NE-O 2.62Å; R200-R205 VanDerWaalsContact NE-O 3.09Å; C201-R205 WeakPolarHBondContact O-CA 3.49Å; C201-R205 PolarHBondContact O-N 3.48Å
206K78.5Confident69.5Low121 Ų12185.4 Ų85.453%0.52638%0.375SS..  trans-76.9144.7173.4-65.1-177.4-179.7179.50110.2H183 C201 C204H183-K206 HydrophobicContact CB-CB 4.29Å; H183-K206 HydrophobicContact CB-CD 3.86Å; H183-K206 WeakPolarHBondContact CD2-CB 3Å; C201-K206 PolarHBondContact N-O 3.47Å; C201-K206 VanDerWaalsContact N-O 3.08Å; C204-K206 PolarHBondContact O-N 2.9Å
207V73.1Confident70.3Confident59 Ų5983.8 Ų83.836%0.35837%0.374SS..EExtended strand (participates in β ladder)trans-82.1128.5176.3-173.60000108.9H183 L198 A199 R200H183-V207 PolarHBondContact NE2-O 3.05Å; L198-V207 HydrophobicContact CB-CG1 3.96Å; L198-V207 HydrophobicContact CD2-CG1 3.48Å; L198-V207 VanDerWaalsContact CD2-CG1 3.48Å; L198-V207 HydrophobicContact CG-CG1 4.36Å; A199-V207 CarbonylContact O-C 3.58Å; A199-V207 WeakPolarHBondContact O-CA 3.5Å; R200-V207 HydrophobicContact CG-CG2 4.45Å
208S69Low70.7Confident1 Ų189.3 Ų89.31%0.00739%0.389CS..EExtended strand (participates in β ladder)trans-120.4142.3172.5-64.20000108.6H183 A199 S277H183-S208 PolarHBondContact CD2-OG 3.06Å; H183-S208 PolarHBondContact NE2-OG 2.98Å; A199-S208 WeakPolarHBondContact CA-O 3.31Å; A199-S208 WeakPolarHBondContact CB-O 3.35Å; A199-S208 PolarHBondContact N-O 3.04Å; A199-S208 PolarHBondContact O-N 3.41Å; S208-S277 WeakPolarHBondContact CB-OG 3.19Å
209S67.4Low71Confident5 Ų587.2 Ų87.24%0.03538%0.38CS..EExtended strand (participates in β ladder)trans-80.6128.6171.654.90000109.7T197 S277T197-S209 WeakPolarHBondContact O-CA 3.38Å; S209-S277 PolarHBondContact O-N 3.34Å; S209-S277 PolarHBondContact O-OG 3.31Å
210I64.5Low71.2Confident32 Ų3291.6 Ų91.616%0.16440%0.402CS..EExtended strand (participates in β ladder)trans-93.8122174.4-60.1177.3000107.9V179 F188 W190 T197 A199 S277V179-I210 HydrophobicContact CB-CD1 4.35Å; V179-I210 HydrophobicContact CG1-CD1 4.1Å; V179-I210 HydrophobicContact CG1-CG1 3.95Å; V179-I210 HydrophobicContact CG2-CD1 3.93Å; V179-I210 HydrophobicContact CG2-CG1 4.37Å; V179-I210 HydrophobicContact CG2-CG2 3.96Å; F188-I210 HydrophobicContact CZ-CD1 4.35Å; W190-I210 HydrophobicContact CB-CD1 4.4Å; W190-I210 HydrophobicContact CD2-CD1 3.44Å; W190-I210 VanDerWaalsContact CD2-CD1 3.44Å; W190-I210 HydrophobicContact CE3-CD1 3.29Å; W190-I210 HydrophobicContact CG-CD1 3.99Å; W190-I210 HydrophobicContact CH2-CD1 4.35Å; W190-I210 HydrophobicContact CZ2-CD1 4.43Å; W190-I210 HydrophobicContact CZ3-CD1 3.86Å; T197-I210 PolarHBondContact O-N 3.5Å; A199-I210 HydrophobicContact CB-CD1 3.19Å; A199-I210 HydrophobicContact CB-CG1 3.41Å; A199-I210 VanDerWaalsContact CB-CG1 3.41Å; I210-S277 WeakPolarHBondContact CG1-OG 3.42Å
211G62.2Low71.4Confident22 Ų2287.2 Ų87.223%0.22740%0.397CS..  trans104.8126.1173.800000113.3R213 P215G211-R213 PolarHBondContact O-N 3Å; G211-P215 WeakPolarHBondContact O-CD 3.32Å
212R54.6Low71.5Confident156 Ų15689.7 Ų89.759%0.58941%0.414SS*.SBendtrans-71.5-14.1-174.3-145.2173.3-153.9-141.74.6114.1
213R57.5Low71.6Confident221 Ų22189.8 Ų89.883%0.83441%0.406SS*.SBendtrans-110.7-22.4-164.3-67.8-169.1177.1-169.50.5115.4G211G211-R213 PolarHBondContact O-N 3Å
214Y57.6Low71.8Confident121 Ų12189.5 Ų89.548%0.47541%0.407SS..Hα-helixtrans-88.2-47.3-171.6-161.7-99.2000115T197 R218T197-Y214 HydrophobicContact CG2-CD1 3.29Å; T197-Y214 HydrophobicContact CG2-CE1 3.89Å; T197-Y214 HydrophobicContact CG2-CG 3.79Å; Y214-R218 PolarHBondContact OH-NH2 3.18Å; Y214-R218 VanDerWaalsContact OH-NH2 3.16Å
215P63.6Low72Confident17 Ų1791.9 Ų91.911%0.1142%0.417CS..Hα-helixtrans-76-27-177.728.9-34.2000113G211 C219G211-P215 WeakPolarHBondContact O-CD 3.32Å; P215-C219 WeakPolarHBondContact O-CB 3.16Å; P215-C219 PolarHBondContact O-N 3.45Å
216R67Low72.4Confident137 Ų13782.8 Ų82.852%0.51738%0.383SS..Hα-helixtrans-64.9-43.4-175.8-83.4-174.6169.5-171.6-5.2113.5C219 I220R216-C219 PolarHBondContact O-N 3.24Å; R216-I220 HydrophobicContact CB-CD1 4.4Å; R216-I220 WeakPolarHBondContact O-CB 3.23Å; R216-I220 WeakPolarHBondContact O-CD1 3.32Å; R216-I220 WeakPolarHBondContact O-CG1 3.46Å; R216-I220 PolarHBondContact O-N 2.84Å
217K69.2Low72.9Confident162 Ų16281.1 Ų81.170%0.70438%0.379SS*.Hα-helixtrans-62.1-48.3-178.4-74.4-172.2176.3-171.30111.6I220 C221K217-I220 PolarHBondContact O-N 3.15Å; K217-C221 PolarHBondContact O-N 2.98Å; K217-C221 PolarHBondContact O-SG 3.22Å
218R72.1Confident73.9Confident164 Ų16483.4 Ų83.462%0.61939%0.389SS*.Hα-helixtrans-66.2-39.8178.6-66.7-174.9178.8179.7-0.8112.1Y214 C221 C222Y214-R218 PolarHBondContact OH-NH2 3.18Å; Y214-R218 VanDerWaalsContact OH-NH2 3.16Å; R218-C221 PolarHBondContact O-N 3.23Å; R218-C222 PolarHBondContact O-N 3.21Å; R218-C222 PolarHBondContact O-SG 3.29Å; R218-C222 VanDerWaalsContact O-SG 3.35Å
219C73.4Confident74.9Confident15 Ų1585 Ų8510%0.10140%0.397CS..Hα-helixtrans-62.3-44.6175.1-177.20000112.4P215 R216 C222 F223 A268 W271P215-C219 WeakPolarHBondContact O-CB 3.16Å; P215-C219 PolarHBondContact O-N 3.45Å; R216-C219 PolarHBondContact O-N 3.24Å; C219-C222 PolarHBondContact O-N 3.34Å; C219-F223 WeakPolarHBondContact O-CB 3.49Å; C219-F223 PolarHBondContact O-N 2.93Å; C219-A268 PolarHBondContact SG-O 3.48Å; C219-W271 HydrophobicContact CB-CB 3.98Å
220I77.6Confident76Confident92 Ų9286.1 Ų86.147%0.47241%0.407SS..Hα-helixtrans-64.2-44.8177.5-69.3163.2000109.8R216 K217 C222 F223 L224R216-I220 HydrophobicContact CB-CD1 4.4Å; R216-I220 WeakPolarHBondContact O-CB 3.23Å; R216-I220 WeakPolarHBondContact O-CD1 3.32Å; R216-I220 WeakPolarHBondContact O-CG1 3.46Å; R216-I220 PolarHBondContact O-N 2.84Å; K217-I220 PolarHBondContact O-N 3.15Å; I220-C222 PolarHBondContact O-N 3.2Å; I220-F223 WeakPolarHBondContact O-CB 3.41Å; I220-F223 PolarHBondContact O-N 3.35Å; I220-L224 HydrophobicContact CG2-CD1 3.84Å; I220-L224 HydrophobicContact CG2-CG 4.16Å; I220-L224 WeakPolarHBondContact O-CB 3.39Å; I220-L224 VanDerWaalsContact O-CG 3.28Å; I220-L224 WeakPolarHBondContact O-CG 2.77Å; I220-L224 PolarHBondContact O-N 3.43Å
221C81.9Confident77.3Confident83 Ų8389 Ų8956%0.56143%0.426SS*.Hα-helixtrans-57.9-46.5175.2-68.40000112K217 R218 F223 L224 L225K217-C221 PolarHBondContact O-N 2.98Å; K217-C221 PolarHBondContact O-SG 3.22Å; R218-C221 PolarHBondContact O-N 3.23Å; C221-F223 VanDerWaalsContact C-N 3.33Å; C221-F223 PolarHBondContact O-N 3.36Å; C221-L224 PolarHBondContact O-N 2.89Å; C221-L225 WeakPolarHBondContact O-CB 3.36Å; C221-L225 PolarHBondContact O-N 3.37Å
222C83.3Confident78.7Confident55 Ų5590.8 Ų90.837%0.37243%0.432SS..Hα-helixtrans-64-37.8176.6-69.10000112.6R218 C219 I220 G226 A268R218-C222 PolarHBondContact O-N 3.21Å; R218-C222 PolarHBondContact O-SG 3.29Å; R218-C222 VanDerWaalsContact O-SG 3.35Å; C219-C222 PolarHBondContact O-N 3.34Å; I220-C222 PolarHBondContact O-N 3.2Å; C222-G226 PolarHBondContact O-N 2.97Å; C222-A268 HydrophobicContact CB-CB 4.34Å
223F84.1Confident80.3Confident87 Ų8783.7 Ų83.738%0.38241%0.407SS..Hα-helixtrans-64.7-47.4176-179.1-100.8000111.5C219 I220 C221 L225 G226 L227 L265 A268C219-F223 WeakPolarHBondContact O-CB 3.49Å; C219-F223 PolarHBondContact O-N 2.93Å; I220-F223 WeakPolarHBondContact O-CB 3.41Å; I220-F223 PolarHBondContact O-N 3.35Å; C221-F223 VanDerWaalsContact C-N 3.33Å; C221-F223 PolarHBondContact O-N 3.36Å; F223-L225 VanDerWaalsContact C-N 3.33Å; F223-L225 PolarHBondContact O-N 2.85Å; F223-G226 PolarHBondContact O-N 3.36Å; F223-L227 WeakPolarHBondContact O-CB 3.09Å; F223-L227 PolarHBondContact O-N 2.97Å; F223-L265 HydrophobicContact CD2-CD2 3.88Å; F223-L265 HydrophobicContact CE2-CD2 3.97Å; F223-A268 HydrophobicContact CB-CB 3.89Å; F223-A268 HydrophobicContact CD2-CB 4.34Å
224L87.3Confident81.9Confident99 Ų9976.9 Ų76.952%0.51839%0.39SS..Hα-helixtrans-62.5-40.7177.4-68.9175.6000111.5I220 C221 L227 L228I220-L224 HydrophobicContact CG2-CD1 3.84Å; I220-L224 HydrophobicContact CG2-CG 4.16Å; I220-L224 WeakPolarHBondContact O-CB 3.39Å; I220-L224 VanDerWaalsContact O-CG 3.28Å; I220-L224 WeakPolarHBondContact O-CG 2.77Å; I220-L224 PolarHBondContact O-N 3.43Å; C221-L224 PolarHBondContact O-N 2.89Å; L224-L227 PolarHBondContact O-N 3.41Å; L224-L228 WeakPolarHBondContact O-CB 3.2Å; L224-L228 PolarHBondContact O-N 2.92Å
225L88.2Confident83.4Confident90 Ų9073.1 Ų73.147%0.47139%0.389SS..Hα-helixtrans-64.5-44.2174.5-17762.9000111.4C221 F223 L227 L228 L229C221-L225 WeakPolarHBondContact O-CB 3.36Å; C221-L225 PolarHBondContact O-N 3.37Å; F223-L225 VanDerWaalsContact C-N 3.33Å; F223-L225 PolarHBondContact O-N 2.85Å; L225-L227 VanDerWaalsContact C-N 3.34Å; L225-L227 PolarHBondContact O-N 3.38Å; L225-L228 PolarHBondContact O-N 3.01Å; L225-L229 HydrophobicContact CG-CD1 4.33Å; L225-L229 WeakPolarHBondContact O-CB 3.47Å; L225-L229 VanDerWaalsContact O-CG 3.29Å; L225-L229 WeakPolarHBondContact O-CG 3.32Å; L225-L229 PolarHBondContact O-N 2.94Å
226G88.2Confident84.7Confident0 Ų076.3 Ų76.30%040%0.404CS..Hα-helixtrans-61.7-40.1175.300000112.8C222 F223 L229 A230C222-G226 PolarHBondContact O-N 2.97Å; F223-G226 PolarHBondContact O-N 3.36Å; G226-L229 PolarHBondContact O-N 2.9Å; G226-A230 WeakPolarHBondContact O-CB 3.13Å; G226-A230 PolarHBondContact O-N 3.43Å
227L89.4Confident85.7Confident86 Ų8670.9 Ų70.945%0.4539%0.389SS..Hα-helixtrans-64.9-46174.9-174.872.8000111.3F223 L224 L225 L229 A230 V231F223-L227 WeakPolarHBondContact O-CB 3.09Å; F223-L227 PolarHBondContact O-N 2.97Å; L224-L227 PolarHBondContact O-N 3.41Å; L225-L227 VanDerWaalsContact C-N 3.34Å; L225-L227 PolarHBondContact O-N 3.38Å; L227-L229 VanDerWaalsContact C-N 3.32Å; L227-L229 PolarHBondContact O-N 3.46Å; L227-A230 PolarHBondContact O-N 3.41Å; L227-V231 WeakPolarHBondContact O-CG2 3.33Å; L227-V231 PolarHBondContact O-N 3.41Å
228L93Very high86.7Confident107 Ų10770.7 Ų70.756%0.5639%0.388SS*.Hα-helixtrans-59.1-46.2176.1-174.970.7000110.6L224 L225 A230 V231 T232L224-L228 WeakPolarHBondContact O-CB 3.2Å; L224-L228 PolarHBondContact O-N 2.92Å; L225-L228 PolarHBondContact O-N 3.01Å; L228-A230 VanDerWaalsContact C-N 3.34Å; L228-A230 PolarHBondContact O-N 3.3Å; L228-V231 PolarHBondContact O-N 3.48Å; L228-T232 VanDerWaalsContact O-CG2 3.3Å; L228-T232 WeakPolarHBondContact O-CG2 3.37Å; L228-T232 PolarHBondContact O-N 3.46Å; L228-T232 PolarHBondContact O-OG1 3.21Å
229L90.7Very high87.5Confident33 Ų3365.9 Ų65.917%0.17339%0.39CS..Hα-helixtrans-60.9-42176.1-71.7172.9000111.9L225 G226 L227 T232 A233 V257 L260 A261L225-L229 HydrophobicContact CG-CD1 4.33Å; L225-L229 WeakPolarHBondContact O-CB 3.47Å; L225-L229 VanDerWaalsContact O-CG 3.29Å; L225-L229 WeakPolarHBondContact O-CG 3.32Å; L225-L229 PolarHBondContact O-N 2.94Å; G226-L229 PolarHBondContact O-N 2.9Å; L227-L229 VanDerWaalsContact C-N 3.32Å; L227-L229 PolarHBondContact O-N 3.46Å; L229-T232 VanDerWaalsContact CA-OG1 3.32Å; L229-T232 WeakPolarHBondContact CA-OG1 3.34Å; L229-T232 PolarHBondContact O-N 2.86Å; L229-T232 PolarHBondContact O-OG1 3.41Å; L229-A233 VanDerWaalsContact O-CB 3.3Å; L229-A233 WeakPolarHBondContact O-CB 3.47Å; L229-A233 PolarHBondContact O-N 3.04Å; L229-V257 HydrophobicContact CD2-CG1 4.49Å; L229-L260 HydrophobicContact CD1-CD2 3.81Å; L229-L260 HydrophobicContact CD1-CG 3.83Å; L229-A261 HydrophobicContact CB-CB 3.93Å
230A91.1Very high88.4Confident30 Ų3066.9 Ų66.925%0.24840%0.395CS..Hα-helixtrans-64.2-41.6176.300000112.7G226 L227 L228 A233 T234 A261G226-A230 WeakPolarHBondContact O-CB 3.13Å; G226-A230 PolarHBondContact O-N 3.43Å; L227-A230 PolarHBondContact O-N 3.41Å; L228-A230 VanDerWaalsContact C-N 3.34Å; L228-A230 PolarHBondContact O-N 3.3Å; A230-A233 PolarHBondContact O-N 3.43Å; A230-T234 WeakPolarHBondContact O-CB 3.27Å; A230-T234 PolarHBondContact O-N 2.85Å; A230-T234 PolarHBondContact O-OG1 2.93Å; A230-A261 HydrophobicContact CB-CB 4.42Å
231V92.1Very high88.8Confident92 Ų9270.4 Ų70.456%0.55840%0.403SS*.Hα-helixtrans-63.4-46.5174.7172.30000110.4L227 L228 A233 T234 G235L227-V231 WeakPolarHBondContact O-CG2 3.33Å; L227-V231 PolarHBondContact O-N 3.41Å; L228-V231 PolarHBondContact O-N 3.48Å; V231-A233 PolarHBondContact O-N 2.76Å; V231-T234 PolarHBondContact O-N 3.36Å; V231-G235 PolarHBondContact O-N 3.01Å
232T90.2Very high88.9Confident59 Ų5975.1 Ų75.136%0.36241%0.414SS..Hα-helixtrans-63.8-40176.760.10000112.2L228 L229 T234 G235 L236L228-T232 VanDerWaalsContact O-CG2 3.3Å; L228-T232 WeakPolarHBondContact O-CG2 3.37Å; L228-T232 PolarHBondContact O-N 3.46Å; L228-T232 PolarHBondContact O-OG1 3.21Å; L229-T232 VanDerWaalsContact CA-OG1 3.32Å; L229-T232 WeakPolarHBondContact CA-OG1 3.34Å; L229-T232 PolarHBondContact O-N 2.86Å; L229-T232 PolarHBondContact O-OG1 3.41Å; T232-T234 VanDerWaalsContact C-N 3.33Å; T232-T234 PolarHBondContact O-N 3.26Å; T232-G235 PolarHBondContact O-N 3.11Å; T232-L236 VanDerWaalsContact O-CB 3.31Å; T232-L236 WeakPolarHBondContact O-CB 3.42Å; T232-L236 WeakPolarHBondContact O-CG 3.28Å; T232-L236 PolarHBondContact O-N 3.16Å
233A89.5Confident88.7Confident8 Ų878 Ų787%0.06642%0.421CS..Hα-helixtrans-61.4-43175.700000111.5L229 A230 V231 L236 A237 V257 I258L229-A233 VanDerWaalsContact O-CB 3.3Å; L229-A233 WeakPolarHBondContact O-CB 3.47Å; L229-A233 PolarHBondContact O-N 3.04Å; A230-A233 PolarHBondContact O-N 3.43Å; V231-A233 PolarHBondContact O-N 2.76Å; A233-L236 PolarHBondContact O-N 2.85Å; A233-A237 VanDerWaalsContact O-CB 3.31Å; A233-A237 WeakPolarHBondContact O-CB 3.35Å; A233-A237 PolarHBondContact O-N 2.87Å; A233-V257 HydrophobicContact CB-CB 4.4Å; A233-V257 HydrophobicContact CB-CG1 3.78Å; A233-I258 HydrophobicContact CB-CG1 4.1Å
234T90.3Very high88.5Confident77 Ų7774 Ų7447%0.47240%0.404SS..Hα-helixtrans-64.9-46.9177.4-54.10000110.5A230 V231 T232 L236 A237 F238A230-T234 WeakPolarHBondContact O-CB 3.27Å; A230-T234 PolarHBondContact O-N 2.85Å; A230-T234 PolarHBondContact O-OG1 2.93Å; V231-T234 PolarHBondContact O-N 3.36Å; T232-T234 VanDerWaalsContact C-N 3.33Å; T232-T234 PolarHBondContact O-N 3.26Å; T234-L236 PolarHBondContact O-N 3.2Å; T234-A237 WeakPolarHBondContact O-CB 3.49Å; T234-A237 PolarHBondContact O-N 3.24Å; T234-F238 HydrophobicContact CG2-CD2 3.8Å; T234-F238 HydrophobicContact CG2-CE2 3.56Å; T234-F238 WeakPolarHBondContact O-CD2 3.41Å; T234-F238 PolarHBondContact O-N 3.34Å
235G90Very high88.1Confident43 Ų4379.8 Ų79.844%0.44342%0.419SS..Hα-helixtrans-61.4-42.5176.100000112.9V231 T232 F238 G239V231-G235 PolarHBondContact O-N 3.01Å; T232-G235 PolarHBondContact O-N 3.11Å; G235-F238 PolarHBondContact O-N 3Å; G235-G239 PolarHBondContact O-N 2.79Å
236L89.1Confident87.9Confident83 Ų8385.3 Ų85.344%0.43543%0.434SS..Hα-helixtrans-62.6-43.1174-74.2173.5000111.1T232 A233 T234 F238 G239 T240T232-L236 VanDerWaalsContact O-CB 3.31Å; T232-L236 WeakPolarHBondContact O-CB 3.42Å; T232-L236 WeakPolarHBondContact O-CG 3.28Å; T232-L236 PolarHBondContact O-N 3.16Å; A233-L236 PolarHBondContact O-N 2.85Å; T234-L236 PolarHBondContact O-N 3.2Å; L236-F238 PolarHBondContact O-N 3.43Å; L236-G239 PolarHBondContact O-N 3.3Å; L236-T240 WeakPolarHBondContact O-CB 3.29Å; L236-T240 PolarHBondContact O-N 3.48Å; L236-T240 PolarHBondContact O-OG1 2.91Å
237A88.8Confident87.6Confident24 Ų2492.3 Ų92.320%0.19846%0.461CS..Hα-helixtrans-60.2-47.4178.600000111.9A233 T234 W241 W254A233-A237 VanDerWaalsContact O-CB 3.31Å; A233-A237 WeakPolarHBondContact O-CB 3.35Å; A233-A237 PolarHBondContact O-N 2.87Å; T234-A237 WeakPolarHBondContact O-CB 3.49Å; T234-A237 PolarHBondContact O-N 3.24Å; A237-W241 WeakPolarHBondContact O-CB 3.39Å; A237-W241 PolarHBondContact O-N 2.84Å; A237-W254 HydrophobicContact CB-CD2 4.38Å; A237-W254 HydrophobicContact CB-CH2 4.47Å; A237-W254 HydrophobicContact CB-CZ2 4.36Å; A237-W254 WeakPolarHBondContact O-CZ2 3.42Å
238F90.2Very high87.3Confident158 Ų15890.9 Ų90.969%0.69347%0.467SS*.Hα-helixtrans-67-47.9176.8-77.7-68.2000112.5T234 G235 L236 T240 W241T234-F238 HydrophobicContact CG2-CD2 3.8Å; T234-F238 HydrophobicContact CG2-CE2 3.56Å; T234-F238 WeakPolarHBondContact O-CD2 3.41Å; T234-F238 PolarHBondContact O-N 3.34Å; G235-F238 PolarHBondContact O-N 3Å; L236-F238 PolarHBondContact O-N 3.43Å; F238-T240 PolarHBondContact O-N 2.9Å; F238-W241 WeakPolarHBondContact O-CB 3.35Å; F238-W241 PolarHBondContact O-N 3.46Å
239G89.7Confident87.1Confident63 Ų6388.5 Ų88.565%0.64947%0.469SS*.Hα-helixtrans-68.2-35.6-175.800000113.4G235 L236G235-G239 PolarHBondContact O-N 2.79Å; L236-G239 PolarHBondContact O-N 3.3Å
240T91.3Very high86.9Confident35 Ų3588.7 Ų88.722%0.21547%0.469CS..THydrogen-bonded Turntrans-98.49-178.4630000113.4L236 F238 K242 H243 A244 W254L236-T240 WeakPolarHBondContact O-CB 3.29Å; L236-T240 PolarHBondContact O-N 3.48Å; L236-T240 PolarHBondContact O-OG1 2.91Å; F238-T240 PolarHBondContact O-N 2.9Å; T240-K242 VanDerWaalsContact C-N 3.34Å; T240-K242 PolarHBondContact O-N 3.47Å; T240-H243 CarbonylContact O-C 3.57Å; T240-H243 PolarHBondContact O-N 3.19Å; T240-A244 WeakPolarHBondContact O-CB 3.46Å; T240-A244 PolarHBondContact O-N 3.17Å; T240-W254 VanDerWaalsContact OG1-CE2 3.31Å; T240-W254 WeakPolarHBondContact OG1-CZ2 3.46Å; T240-W254 PolarHBondContact OG1-NE1 3.4Å
241W85.5Confident86.7Confident167 Ų16793 Ų9363%0.63348%0.48SS*.Hα-helixtrans-53.1-46.5-177.9-167.3-85.9000113.5A237 F238 H243 W254A237-W241 WeakPolarHBondContact O-CB 3.39Å; A237-W241 PolarHBondContact O-N 2.84Å; F238-W241 WeakPolarHBondContact O-CB 3.35Å; F238-W241 PolarHBondContact O-N 3.46Å; W241-H243 VanDerWaalsContact C-N 3.34Å; W241-W254 HydrophobicContact CE3-CH2 4.3Å
242K84.2Confident86.5Confident181 Ų18191.9 Ų91.979%0.78748%0.48SS*.Hα-helixtrans-70.8-30.7178.9-166.5175.7-177.8179.20112.2T240T240-K242 VanDerWaalsContact C-N 3.34Å; T240-K242 PolarHBondContact O-N 3.47Å
243H79.8Confident86.4Confident116 Ų11691.6 Ų91.654%0.53748%0.484SS..Hα-helixtrans-80.4-34.2-179.3-7014.4000112.2T240 W241 R245 R246 Y247 I250T240-H243 CarbonylContact O-C 3.57Å; T240-H243 PolarHBondContact O-N 3.19Å; W241-H243 VanDerWaalsContact C-N 3.34Å; H243-R245 PolarHBondContact O-N 3.07Å; H243-R246 PolarHBondContact O-N 3.14Å; H243-Y247 PolarHBondContact O-N 3.26Å; H243-I250 HydrophobicContact CB-CD1 3.69Å
244A80.7Confident86.4Confident2 Ų292.7 Ų92.72%0.01749%0.486CS..Hα-helixtrans-58-32.7176.900000112T240 R246 Y247 I250 Y251 W254T240-A244 WeakPolarHBondContact O-CB 3.46Å; T240-A244 PolarHBondContact O-N 3.17Å; A244-R246 VanDerWaalsContact C-N 3.25Å; A244-R246 PolarHBondContact O-N 3.18Å; A244-Y247 CarbonylContact O-C 3.54Å; A244-I250 HydrophobicContact CB-CB 4.2Å; A244-I250 HydrophobicContact CB-CG2 3.9Å; A244-Y251 HydrophobicContact CB-CE1 4.19Å; A244-Y251 HydrophobicContact CB-CE2 4.04Å; A244-Y251 VanDerWaalsContact O-CE2 3.27Å; A244-Y251 WeakPolarHBondContact O-CE2 3.28Å; A244-W254 HydrophobicContact CB-CH2 3.67Å; A244-W254 HydrophobicContact CB-CZ2 3.83Å; A244-W254 HydrophobicContact CB-CZ3 4.39Å
245R79.1Confident86.3Confident222 Ų22291.8 Ų91.884%0.83849%0.486SS*.THydrogen-bonded Turntrans-64.2-25.7174.3-116.4176.7-176.81770.4114.3H243H243-R245 PolarHBondContact O-N 3.07Å
246R82.7Confident86.3Confident206 Ų20696.4 Ų96.478%0.77750%0.495SS*.THydrogen-bonded Turntrans-97.7-31.2-179.6-164.8172.7-171.7165.12.8112.3H243 A244H243-R246 PolarHBondContact O-N 3.14Å; A244-R246 VanDerWaalsContact C-N 3.25Å; A244-R246 PolarHBondContact O-N 3.18Å
247Y82.3Confident86.3Confident147 Ų14793.9 Ų93.958%0.57648%0.482SS*.  trans-126.4105.3-177.4-63.7-75.7000111.3H243 A244 G249 I250H243-Y247 PolarHBondContact O-N 3.26Å; A244-Y247 CarbonylContact O-C 3.54Å; Y247-G249 PolarHBondContact O-N 3.44Å; Y247-G249 VanDerWaalsContact O-N 3.17Å; Y247-I250 PolarHBondContact O-N 3.49Å
248G83.9Confident86.4Confident56 Ų5697 Ų9758%0.57750%0.495SS*.THydrogen-bonded Turntrans-60-26.218000000114.5I250 Y251G248-I250 PolarHBondContact O-N 3.22Å; G248-I250 VanDerWaalsContact O-N 3.14Å; G248-Y251 WeakPolarHBondContact O-CB 3.5Å; G248-Y251 PolarHBondContact O-N 3.47Å; G248-Y251 VanDerWaalsContact O-N 3.07Å
249G87.2Confident86.5Confident57 Ų5794.3 Ų94.359%0.58849%0.487SS*.Hα-helixtrans-60.5-23.2177.800000114.2Y247 Y251 A252 A253Y247-G249 PolarHBondContact O-N 3.44Å; Y247-G249 VanDerWaalsContact O-N 3.17Å; G249-Y251 VanDerWaalsContact C-N 3.3Å; G249-Y251 PolarHBondContact O-N 3.38Å; G249-A252 WeakPolarHBondContact O-CB 3.47Å; G249-A252 PolarHBondContact O-N 3.3Å; G249-A253 PolarHBondContact O-N 3.48Å
250I87.4Confident86.5Confident36 Ų3694.6 Ų94.619%0.18547%0.474CS..Hα-helixtrans-66.1-34.6176.7-64172.5000110.9H243 A244 Y247 G248 A252 A253 W254H243-I250 HydrophobicContact CB-CD1 3.69Å; A244-I250 HydrophobicContact CB-CB 4.2Å; A244-I250 HydrophobicContact CB-CG2 3.9Å; Y247-I250 PolarHBondContact O-N 3.49Å; G248-I250 PolarHBondContact O-N 3.22Å; G248-I250 VanDerWaalsContact O-N 3.14Å; I250-A252 VanDerWaalsContact C-N 3.33Å; I250-A252 PolarHBondContact O-N 3Å; I250-A253 WeakPolarHBondContact O-CB 3.2Å; I250-A253 PolarHBondContact O-N 3.42Å; I250-W254 HydrophobicContact CG2-CD2 4.41Å; I250-W254 HydrophobicContact CG2-CZ2 3.9Å; I250-W254 PolarHBondContact O-N 3.31Å
251Y87.8Confident86.5Confident122 Ų12293.2 Ų93.248%0.47847%0.465SS..Hα-helixtrans-64.7-37.9174.6-68.2-71.1000112.2A244 G248 G249 A253 W254 A255A244-Y251 HydrophobicContact CB-CE1 4.19Å; A244-Y251 HydrophobicContact CB-CE2 4.04Å; A244-Y251 VanDerWaalsContact O-CE2 3.27Å; A244-Y251 WeakPolarHBondContact O-CE2 3.28Å; G248-Y251 WeakPolarHBondContact O-CB 3.5Å; G248-Y251 PolarHBondContact O-N 3.47Å; G248-Y251 VanDerWaalsContact O-N 3.07Å; G249-Y251 VanDerWaalsContact C-N 3.3Å; G249-Y251 PolarHBondContact O-N 3.38Å; Y251-A253 VanDerWaalsContact C-N 3.32Å; Y251-A253 PolarHBondContact O-N 2.92Å; Y251-W254 AromaticContact CD1-CE3 3.84Å; Y251-W254 HydrophobicContact CD1-CE3 3.84Å; Y251-W254 AromaticContact CD1-CZ3 3.87Å; Y251-W254 HydrophobicContact CD1-CZ3 3.87Å; Y251-W254 HydrophobicContact CE1-CE3 4.16Å; Y251-W254 HydrophobicContact CE1-CH2 4.38Å; Y251-W254 AromaticContact CE1-CZ3 3.69Å; Y251-W254 HydrophobicContact CE1-CZ3 3.69Å; Y251-W254 PolarHBondContact O-N 3.34Å; Y251-A255 WeakPolarHBondContact O-CB 3.45Å; Y251-A255 PolarHBondContact O-N 2.88Å
252A87.6Confident86.7Confident67 Ų6789.5 Ų89.555%0.55446%0.461SS*.Hα-helixtrans-63.8-39.9175.500000111.4G249 I250 A255 F256G249-A252 WeakPolarHBondContact O-CB 3.47Å; G249-A252 PolarHBondContact O-N 3.3Å; I250-A252 VanDerWaalsContact C-N 3.33Å; I250-A252 PolarHBondContact O-N 3Å; A252-A255 PolarHBondContact O-N 2.9Å; A252-F256 PolarHBondContact O-N 3.5Å
253A87.2Confident86.9Confident54 Ų5485.6 Ų85.645%0.44645%0.448SS..Hα-helixtrans-63.5-45.4174.500000112G249 I250 Y251 A255 F256 V257G249-A253 PolarHBondContact O-N 3.48Å; I250-A253 WeakPolarHBondContact O-CB 3.2Å; I250-A253 PolarHBondContact O-N 3.42Å; Y251-A253 VanDerWaalsContact C-N 3.32Å; Y251-A253 PolarHBondContact O-N 2.92Å; A253-A255 PolarHBondContact O-N 2.87Å; A253-F256 PolarHBondContact O-N 3.23Å; A253-V257 WeakPolarHBondContact O-CG2 3.32Å; A253-V257 PolarHBondContact O-N 2.9Å; A253-V257 VanDerWaalsContact O-N 3.07Å
254W89Confident87.3Confident31 Ų3181.2 Ų81.212%0.11743%0.431CS..Hα-helixtrans-59.6-46.5175.2-65.1-5000111.7A237 T240 W241 A244 I250 Y251 F256 V257 I258A237-W254 HydrophobicContact CB-CD2 4.38Å; A237-W254 HydrophobicContact CB-CH2 4.47Å; A237-W254 HydrophobicContact CB-CZ2 4.36Å; A237-W254 WeakPolarHBondContact O-CZ2 3.42Å; T240-W254 VanDerWaalsContact OG1-CE2 3.31Å; T240-W254 WeakPolarHBondContact OG1-CZ2 3.46Å; T240-W254 PolarHBondContact OG1-NE1 3.4Å; W241-W254 HydrophobicContact CE3-CH2 4.3Å; A244-W254 HydrophobicContact CB-CH2 3.67Å; A244-W254 HydrophobicContact CB-CZ2 3.83Å; A244-W254 HydrophobicContact CB-CZ3 4.39Å; I250-W254 HydrophobicContact CG2-CD2 4.41Å; I250-W254 HydrophobicContact CG2-CZ2 3.9Å; I250-W254 PolarHBondContact O-N 3.31Å; Y251-W254 AromaticContact CD1-CE3 3.84Å; Y251-W254 HydrophobicContact CD1-CE3 3.84Å; Y251-W254 AromaticContact CD1-CZ3 3.87Å; Y251-W254 HydrophobicContact CD1-CZ3 3.87Å; Y251-W254 HydrophobicContact CE1-CE3 4.16Å; Y251-W254 HydrophobicContact CE1-CH2 4.38Å; Y251-W254 AromaticContact CE1-CZ3 3.69Å; Y251-W254 HydrophobicContact CE1-CZ3 3.69Å; Y251-W254 PolarHBondContact O-N 3.34Å; W254-F256 VanDerWaalsContact C-N 3.3Å; W254-F256 PolarHBondContact O-N 2.92Å; W254-V257 PolarHBondContact O-N 2.99Å; W254-I258 HydrophobicContact CB-CD1 4.5Å; W254-I258 WeakPolarHBondContact O-CB 3.47Å; W254-I258 WeakPolarHBondContact O-CD1 3.41Å; W254-I258 WeakPolarHBondContact O-CG1 3.37Å; W254-I258 PolarHBondContact O-N 3.07Å
255A89.9Confident87.6Confident57 Ų5783.2 Ų83.247%0.47144%0.441SS..Hα-helixtrans-58.9-42.1178.400000111.8Y251 A252 A253 L259Y251-A255 WeakPolarHBondContact O-CB 3.45Å; Y251-A255 PolarHBondContact O-N 2.88Å; A252-A255 PolarHBondContact O-N 2.9Å; A253-A255 PolarHBondContact O-N 2.87Å; A255-L259 WeakPolarHBondContact O-CB 3.22Å; A255-L259 PolarHBondContact O-N 3.41Å
256F89.5Confident87.9Confident141 Ų14174.6 Ų74.662%0.61842%0.421SS*.Hα-helixtrans-64-46.6177.7-176.1-98.6000112.6A252 A253 W254 L259 L260A252-F256 PolarHBondContact O-N 3.5Å; A253-F256 PolarHBondContact O-N 3.23Å; W254-F256 VanDerWaalsContact C-N 3.3Å; W254-F256 PolarHBondContact O-N 2.92Å; F256-L259 PolarHBondContact O-N 2.82Å; F256-L260 WeakPolarHBondContact O-CB 3.3Å; F256-L260 PolarHBondContact O-N 3.45Å
257V89.6Confident87.9Confident29 Ų2972.7 Ų72.718%0.17641%0.414CS..Hα-helixtrans-67-41.3179.5-177.60000111L229 A233 A253 W254 L260 A261L229-V257 HydrophobicContact CD2-CG1 4.49Å; A233-V257 HydrophobicContact CB-CB 4.4Å; A233-V257 HydrophobicContact CB-CG1 3.78Å; A253-V257 WeakPolarHBondContact O-CG2 3.32Å; A253-V257 PolarHBondContact O-N 2.9Å; A253-V257 VanDerWaalsContact O-N 3.07Å; W254-V257 PolarHBondContact O-N 2.99Å; V257-L260 PolarHBondContact O-N 2.81Å; V257-A261 WeakPolarHBondContact O-CB 3.21Å; V257-A261 PolarHBondContact O-N 3.49Å
258I89.8Confident87.9Confident91 Ų9165.8 Ų65.847%0.46739%0.387SS..Hα-helixtrans-62.9-45.7176.1-68.7166.7000110.4A233 W254 L260 A261 V262A233-I258 HydrophobicContact CB-CG1 4.1Å; W254-I258 HydrophobicContact CB-CD1 4.5Å; W254-I258 WeakPolarHBondContact O-CB 3.47Å; W254-I258 WeakPolarHBondContact O-CD1 3.41Å; W254-I258 WeakPolarHBondContact O-CG1 3.37Å; W254-I258 PolarHBondContact O-N 3.07Å; I258-L260 VanDerWaalsContact C-N 3.33Å; I258-L260 PolarHBondContact O-N 3.2Å; I258-A261 PolarHBondContact O-N 3.45Å; I258-V262 HydrophobicContact CG2-CG2 4.36Å; I258-V262 WeakPolarHBondContact O-CG2 3.43Å; I258-V262 PolarHBondContact O-N 3.28Å
259L92.1Very high87.7Confident100 Ų10067.8 Ų67.852%0.52438%0.383SS..Hα-helixtrans-58.9-46176.9179.765.5000111.1A255 F256 A261 V262 L263A255-L259 WeakPolarHBondContact O-CB 3.22Å; A255-L259 PolarHBondContact O-N 3.41Å; F256-L259 PolarHBondContact O-N 2.82Å; L259-A261 VanDerWaalsContact C-N 3.35Å; L259-A261 PolarHBondContact O-N 2.8Å; L259-V262 PolarHBondContact O-N 2.8Å; L259-L263 HydrophobicContact CD1-CD1 4.35Å; L259-L263 HydrophobicContact CD1-CG 4.38Å; L259-L263 HydrophobicContact CG-CD1 4.09Å; L259-L263 WeakPolarHBondContact O-CB 3.3Å; L259-L263 VanDerWaalsContact O-CG 3.27Å; L259-L263 WeakPolarHBondContact O-CG 3.4Å; L259-L263 PolarHBondContact O-N 3.34Å
260L90Very high87.4Confident70 Ų7071.9 Ų71.937%0.36638%0.382SS..Hα-helixtrans-62.8-42177.7-172.663.9000111.7L229 F256 V257 I258 L263 C264L229-L260 HydrophobicContact CD1-CD2 3.81Å; L229-L260 HydrophobicContact CD1-CG 3.83Å; F256-L260 WeakPolarHBondContact O-CB 3.3Å; F256-L260 PolarHBondContact O-N 3.45Å; V257-L260 PolarHBondContact O-N 2.81Å; I258-L260 VanDerWaalsContact C-N 3.33Å; I258-L260 PolarHBondContact O-N 3.2Å; L260-L263 PolarHBondContact O-N 3.36Å; L260-C264 WeakPolarHBondContact O-CB 3.31Å; L260-C264 PolarHBondContact O-N 2.85Å; L260-C264 PolarHBondContact O-SG 3.2Å
261A90.5Very high86.7Confident5 Ų574.2 Ų74.24%0.04139%0.389CS..Hα-helixtrans-60.7-46.6175.100000111.4L229 A230 V257 I258 L259 L263 C264 L265L229-A261 HydrophobicContact CB-CB 3.93Å; A230-A261 HydrophobicContact CB-CB 4.42Å; V257-A261 WeakPolarHBondContact O-CB 3.21Å; V257-A261 PolarHBondContact O-N 3.49Å; I258-A261 PolarHBondContact O-N 3.45Å; L259-A261 VanDerWaalsContact C-N 3.35Å; L259-A261 PolarHBondContact O-N 2.8Å; A261-L263 PolarHBondContact O-N 3.45Å; A261-C264 PolarHBondContact O-N 2.88Å; A261-L265 VanDerWaalsContact O-CB 3.3Å; A261-L265 WeakPolarHBondContact O-CB 3.22Å; A261-L265 WeakPolarHBondContact O-CG 3.32Å; A261-L265 PolarHBondContact O-N 3.4Å
262V90.3Very high85.9Confident89 Ų8971.7 Ų71.754%0.53939%0.393SS..Hα-helixtrans-62.6-43.1177.6171.20000111.5I258 L259 L265 G266I258-V262 HydrophobicContact CG2-CG2 4.36Å; I258-V262 WeakPolarHBondContact O-CG2 3.43Å; I258-V262 PolarHBondContact O-N 3.28Å; L259-V262 PolarHBondContact O-N 2.8Å; V262-L265 PolarHBondContact O-N 3.19Å; V262-G266 PolarHBondContact O-N 3.02Å
263L89.2Confident85Confident99 Ų9973.6 Ų73.652%0.51840%0.401SS..Hα-helixtrans-64.4-44.3177.3-71173.2000111.6L259 L260 A261 R267L259-L263 HydrophobicContact CD1-CD1 4.35Å; L259-L263 HydrophobicContact CD1-CG 4.38Å; L259-L263 HydrophobicContact CG-CD1 4.09Å; L259-L263 WeakPolarHBondContact O-CB 3.3Å; L259-L263 VanDerWaalsContact O-CG 3.27Å; L259-L263 WeakPolarHBondContact O-CG 3.4Å; L259-L263 PolarHBondContact O-N 3.34Å; L260-L263 PolarHBondContact O-N 3.36Å; A261-L263 PolarHBondContact O-N 3.45Å; L263-R267 WeakPolarHBondContact O-CB 3.35Å; L263-R267 WeakPolarHBondContact O-CG 3.39Å; L263-R267 PolarHBondContact O-N 3.44Å
264C88.3Confident84.3Confident25 Ų2572.2 Ų72.217%0.16939%0.386CS..Hα-helixtrans-62.1-46.8176.2-75.70000111.7L260 A261 A268L260-C264 WeakPolarHBondContact O-CB 3.31Å; L260-C264 PolarHBondContact O-N 2.85Å; L260-C264 PolarHBondContact O-SG 3.2Å; A261-C264 PolarHBondContact O-N 2.88Å; C264-A268 WeakPolarHBondContact O-CB 3.3Å; C264-A268 PolarHBondContact O-N 2.9Å
265L86.8Confident83.4Confident44 Ų4476.7 Ų76.723%0.2341%0.406CS..Hα-helixtrans-66.6-43.9178.1-71.3171.7000111.8F223 A261 V262 R267 A268 L269F223-L265 HydrophobicContact CD2-CD2 3.88Å; F223-L265 HydrophobicContact CE2-CD2 3.97Å; A261-L265 VanDerWaalsContact O-CB 3.3Å; A261-L265 WeakPolarHBondContact O-CB 3.22Å; A261-L265 WeakPolarHBondContact O-CG 3.32Å; A261-L265 PolarHBondContact O-N 3.4Å; V262-L265 PolarHBondContact O-N 3.19Å; L265-R267 VanDerWaalsContact C-N 3.34Å; L265-R267 PolarHBondContact O-N 2.77Å; L265-A268 PolarHBondContact O-N 2.88Å; L265-A268 VanDerWaalsContact O-N 3.16Å; L265-L269 WeakPolarHBondContact O-CB 3.27Å; L265-L269 VanDerWaalsContact O-CG 3.28Å; L265-L269 WeakPolarHBondContact O-CG 3.37Å; L265-L269 PolarHBondContact O-N 3.46Å
266G84.6Confident82.3Confident40 Ų4075.8 Ų75.841%0.41240%0.395SS..Hα-helixtrans-61.1-42.4177.800000112.1V262 Y270V262-G266 PolarHBondContact O-N 3.02Å; G266-Y270 WeakPolarHBondContact O-CB 3.44Å; G266-Y270 PolarHBondContact O-N 3.48Å
267R83.4Confident81.3Confident167 Ų16769 Ų6963%0.6337%0.365SS*.Hα-helixtrans-63.9-47.7172-69.4-173.988.583.2-0110.8L263 L265 L269 Y270 W271L263-R267 WeakPolarHBondContact O-CB 3.35Å; L263-R267 WeakPolarHBondContact O-CG 3.39Å; L263-R267 PolarHBondContact O-N 3.44Å; L265-R267 VanDerWaalsContact C-N 3.34Å; L265-R267 PolarHBondContact O-N 2.77Å; R267-L269 VanDerWaalsContact C-N 3.34Å; R267-L269 PolarHBondContact O-N 2.97Å; R267-Y270 WeakPolarHBondContact O-CB 3.43Å; R267-Y270 PolarHBondContact O-N 2.59Å; R267-W271 PolarHBondContact O-N 2.95Å
268A81.3Confident80.3Confident1 Ų172.3 Ų72.31%0.00838%0.378CS..Hα-helixtrans-58.4-4517900000112.3C219 C222 F223 C264 L265 Y270 W271 A272C219-A268 PolarHBondContact SG-O 3.48Å; C222-A268 HydrophobicContact CB-CB 4.34Å; F223-A268 HydrophobicContact CB-CB 3.89Å; F223-A268 HydrophobicContact CD2-CB 4.34Å; C264-A268 WeakPolarHBondContact O-CB 3.3Å; C264-A268 PolarHBondContact O-N 2.9Å; L265-A268 PolarHBondContact O-N 2.88Å; L265-A268 VanDerWaalsContact O-N 3.16Å; A268-Y270 PolarHBondContact O-N 3.47Å; A268-W271 PolarHBondContact O-N 3.5Å; A268-A272 WeakPolarHBondContact O-CB 3.14Å; A268-A272 PolarHBondContact O-N 3.48Å
269L81.1Confident79.3Confident98 Ų9870.6 Ų70.651%0.51337%0.373SS..Hα-helixtrans-62.2-42176.3-70.7173.8000111.8L265 R267 W271 A272 C273L265-L269 WeakPolarHBondContact O-CB 3.27Å; L265-L269 VanDerWaalsContact O-CG 3.28Å; L265-L269 WeakPolarHBondContact O-CG 3.37Å; L265-L269 PolarHBondContact O-N 3.46Å; R267-L269 VanDerWaalsContact C-N 3.34Å; R267-L269 PolarHBondContact O-N 2.97Å; L269-W271 VanDerWaalsContact C-N 3.35Å; L269-W271 PolarHBondContact O-N 3.29Å; L269-A272 PolarHBondContact O-N 3.32Å; L269-C273 WeakPolarHBondContact O-CB 3.44Å; L269-C273 PolarHBondContact O-N 2.93Å; L269-C273 PolarHBondContact O-SG 2.89Å
270Y80.1Confident78.3Confident144 Ų14467.9 Ų67.957%0.56536%0.36SS*.Hα-helixtrans-57.8-46.1174.9175-99.3000112.2G266 R267 A268 M274G266-Y270 WeakPolarHBondContact O-CB 3.44Å; G266-Y270 PolarHBondContact O-N 3.48Å; R267-Y270 WeakPolarHBondContact O-CB 3.43Å; R267-Y270 PolarHBondContact O-N 2.59Å; A268-Y270 PolarHBondContact O-N 3.47Å; Y270-M274 HydrophobicContact CD1-CE 3.66Å; Y270-M274 HydrophobicContact CE1-CE 3.29Å; Y270-M274 HydrophobicContact CE1-SD 4.15Å; Y270-M274 PolarHBondContact O-N 2.88Å
271W72.8Confident76.9Confident84 Ų8471.6 Ų71.632%0.31838%0.376SS..Hα-helixtrans-69.5-32.7176.7-66.3107000112.9L198 C219 R267 A268 L269 M274L198-W271 HydrophobicContact CD1-CH2 4.12Å; L198-W271 HydrophobicContact CD1-CZ3 4.24Å; L198-W271 HydrophobicContact CD2-CH2 4.45Å; L198-W271 HydrophobicContact CD2-CZ3 4.09Å; C219-W271 HydrophobicContact CB-CB 3.98Å; R267-W271 PolarHBondContact O-N 2.95Å; A268-W271 PolarHBondContact O-N 3.5Å; L269-W271 VanDerWaalsContact C-N 3.35Å; L269-W271 PolarHBondContact O-N 3.29Å; W271-M274 HydrophobicContact CB-CE 4.44Å; W271-M274 HydrophobicContact CD2-CE 3.52Å; W271-M274 HydrophobicContact CE3-CE 3.05Å; W271-M274 HydrophobicContact CG-CE 4.17Å; W271-M274 HydrophobicContact CH2-CE 4.1Å; W271-M274 HydrophobicContact CZ3-CE 3.39Å
272A71Confident75.1Confident69 Ų6977.4 Ų77.457%0.5741%0.406SS*.Hα-helixtrans-70.7-38.6177.100000112.5A268 L269 M274A268-A272 WeakPolarHBondContact O-CB 3.14Å; A268-A272 PolarHBondContact O-N 3.48Å; L269-A272 PolarHBondContact O-N 3.32Å; A272-M274 VanDerWaalsContact C-N 3.31Å
273C69.5Low72.9Confident108 Ų10881.3 Ų81.373%0.7342%0.416SS*.Hα-helixtrans-76.9-15.7178.3-69.10000113.1L269 K275L269-C273 WeakPolarHBondContact O-CB 3.44Å; L269-C273 PolarHBondContact O-N 2.93Å; L269-C273 PolarHBondContact O-SG 2.89Å; C273-K275 PolarHBondContact O-N 2.79Å
274M71.7Confident70.3Confident25 Ų2585.4 Ų85.412%0.12345%0.453CS..SBendtrans-64.8120.9176.6-97.3-167.3-76.600111.4L198 Y270 W271 A272 V276L198-M274 HydrophobicContact CD2-SD 4.2Å; Y270-M274 HydrophobicContact CD1-CE 3.66Å; Y270-M274 HydrophobicContact CE1-CE 3.29Å; Y270-M274 HydrophobicContact CE1-SD 4.15Å; Y270-M274 PolarHBondContact O-N 2.88Å; W271-M274 HydrophobicContact CB-CE 4.44Å; W271-M274 HydrophobicContact CD2-CE 3.52Å; W271-M274 HydrophobicContact CE3-CE 3.05Å; W271-M274 HydrophobicContact CG-CE 4.17Å; W271-M274 HydrophobicContact CH2-CE 4.1Å; W271-M274 HydrophobicContact CZ3-CE 3.39Å; A272-M274 VanDerWaalsContact C-N 3.31Å; M274-V276 PolarHBondContact O-N 3.22Å
275K69.6Low69.4Low125 Ų12588.5 Ų88.554%0.54347%0.468SS..PPolyproline II helixtrans-67.6124.1-178.4-154.3159.9174.683.10110.4G182 C273G182-K275 WeakPolarHBondContact O-CD 3.48Å; G182-K275 WeakPolarHBondContact O-CE 3.5Å; C273-K275 PolarHBondContact O-N 2.79Å
276V67.6Low68.5Low37 Ų3790.8 Ų90.822%0.22448%0.48CS..EExtended strand (participates in β ladder)trans-80.9124.6-179.2-177.80000109.3M274M274-V276 PolarHBondContact O-N 3.22Å
277S67.5Low67.6Low0 Ų093.6 Ų93.60%048%0.484CS..EExtended strand (participates in β ladder)trans-85132.7169.341.20000110.4I180 S208 S209 I210I180-S277 WeakPolarHBondContact O-CA 3.26Å; I180-S277 WeakPolarHBondContact O-CB 3.31Å; S208-S277 WeakPolarHBondContact CB-OG 3.19Å; S209-S277 PolarHBondContact O-N 3.34Å; S209-S277 PolarHBondContact O-OG 3.31Å; I210-S277 WeakPolarHBondContact CG1-OG 3.42Å
278H68.2Low66.6Low98 Ų9889.3 Ų89.345%0.45448%0.475SS..EExtended strand (participates in β ladder)trans-91.1132.9-177.7-77-95.4000110.6I180 V280I180-H278 PolarHBondContact N-O 2.98Å; H278-V280 PolarHBondContact O-N 3.18Å
279P69.5Low65.7Low55 Ų5594.8 Ų94.836%0.35751%0.505SS..EExtended strand (participates in β ladder)trans-68.1131.2168.330-32.3000108.5V177 Q281V177-P279 HydrophobicContact CG1-CB 3.77Å; P279-Q281 PolarHBondContact O-N 3.02Å; P279-Q281 VanDerWaalsContact O-N 3.15Å
280V71.1Confident64.7Low42 Ų4294.6 Ų94.626%0.25550%0.504SS..  trans-78.899.4172.7-169.50000106.8R178 I180 H278 N282R178-V280 HydrophobicContact CB-CB 4.3Å; R178-V280 PolarHBondContact O-N 3.46Å; I180-V280 HydrophobicContact CB-CG2 4.45Å; I180-V280 HydrophobicContact CD1-CG2 3.38Å; I180-V280 HydrophobicContact CG1-CG2 3.39Å; H278-V280 PolarHBondContact O-N 3.18Å; V280-N282 HydrophobicContact CG1-CB 4.46Å; V280-N282 WeakPolarHBondContact CG1-ND2 3.46Å; V280-N282 PolarHBondContact O-N 3.26Å
281Q61.4Low63.6Low149 Ų14991.1 Ų91.170%0.69650%0.5SS*.  trans-76.878.1165-66.2-175.5-47.100107.5P279 F283P279-Q281 PolarHBondContact O-N 3.02Å; P279-Q281 VanDerWaalsContact O-N 3.15Å; Q281-F283 HydrophobicContact CB-CD2 3.95Å; Q281-F283 HydrophobicContact CB-CE2 3.72Å; Q281-F283 HydrophobicContact CG-CE2 4.26Å; Q281-F283 PolarHBondContact O-N 2.86Å
282N51.5Low62.9Low126 Ų12691.6 Ų91.667%0.67451%0.514SS*.  trans-75.488.9160.8-91.4-58.4000106.3V280 S284V280-N282 HydrophobicContact CG1-CB 4.46Å; V280-N282 WeakPolarHBondContact CG1-ND2 3.46Å; V280-N282 PolarHBondContact O-N 3.26Å; N282-S284 PolarHBondContact O-N 3.22Å
283F44.2Very low62.2Low171 Ų17193.5 Ų93.575%0.7551%0.509SS*.  trans-69.3109.8149.8-64.6-81.8000105.1Q281Q281-F283 HydrophobicContact CB-CD2 3.95Å; Q281-F283 HydrophobicContact CB-CE2 3.72Å; Q281-F283 HydrophobicContact CG-CE2 4.26Å; Q281-F283 PolarHBondContact O-N 2.86Å
284S34.6Very low61.5Low186 Ų18692.2 Ų92.2100%1.30149%0.489SS*.  trans-77.80157.8-174.40000109N282N282-S284 PolarHBondContact O-N 3.22Å

Retrieved 284 of 284 residues in 110.5 ms (Link to these results)