A0A075B729_HUMAN Loading...

BOP1 ribosomal biogenesis factor

AlphaFold DB , UniProt , Accession A0A075B729, Species HUMAN (Homo sapiens, Human), Gene BOP1, Length 217 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
1M41.8Very low38.6Very low245 Ų245140 Ų140100%1.20789%0.887SS**  0140.50-96.3173.7154.300108.3
2A43.3Very low38.3Very low113 Ų113136.1 Ų136.193%0.93488%0.877SS**  trans69124.9-173.900000114.9
3G39.4Very low39Very low76 Ų76135.1 Ų135.178%0.78487%0.871SS**  cis150.1111.36.300000108.4
4S40.3Very low38.5Very low114 Ų114132.6 Ų132.680%0.79786%0.86SS**  trans-49150.6-175.456.40000117.2
5R44Very low38.4Very low258 Ų258132.1 Ų132.197%0.97485%0.853SS**  trans-136110.7143.9-78.2-170.7162.2-172.2-6.2110.1
6G36.9Very low38.2Very low76 Ų76139.1 Ų139.178%0.78486%0.857SS**  trans-90.9149.2174.200000111.8
7A38.9Very low38.4Very low114 Ų114137.2 Ų137.294%0.94285%0.847SS**  trans-75.1144.7172.700000111.3
8G38Very low38Very low82 Ų82139.4 Ų139.485%0.84585%0.846SS**  trans-137.4119.9173.800000110.3
9R36.4Very low38Very low233 Ų233143.1 Ų143.188%0.87985%0.849SS**  trans-97.2153.9179.2-94.8174.3140.1-153.5-3.4110.4
10T31.5Very low38Very low130 Ų130147.7 Ų147.780%0.79885%0.851SS**  trans62.8126.714656.80000120.6
11A33.9Very low37.9Very low99 Ų99152 Ų15282%0.81885%0.854SS**  172.4131.8113.900000111.4
12A35.5Very low37.5Very low93 Ų93145.6 Ų145.677%0.76983%0.833SS**  trans-81.3162.5155.700000109
13P46.8Very low37.3Very low123 Ų123149.4 Ų149.480%0.79983%0.831SS**  -157.6156.5103.438.1-18.3000118
14S32.4Very low37.5Very low101 Ų101151.1 Ų151.171%0.70683%0.829SS**  69.1108.3124.8-175.90000124.4
15V36.6Very low37.5Very low125 Ų125155.1 Ų155.176%0.75884%0.835SS**  47124.8120.3-170.50000120.8
16R34.9Very low37.4Very low244 Ų244150.8 Ų150.892%0.92183%0.83SS**  -173.2157.1116.4-98.2179.5-172.4-140.41.3113.6
17P41.7Very low37.6Very low106 Ų106155.9 Ų155.969%0.68883%0.834SS**  trans-121.7177.3-152.542.4-28.3000116.4
18E32.5Very low37.8Very low178 Ų178156.5 Ų156.583%0.83283%0.828SS**  trans65.5121.3153.1-78.7-169140.500122.6
19K37.4Very low37.9Very low208 Ų208161 Ų16190%0.90483%0.827SS**  trans-157.2113.7130.6-130.4171.5-174.7175.80111.8
20R37.9Very low37.9Very low235 Ų235155.4 Ų155.489%0.88782%0.821SS**  trans-64.5139.6166-100.4176.1178.8-110.8-0.5110.7
21R34.8Very low38.4Very low239 Ų239158 Ų15890%0.90282%0.824SS**  trans-164.2124.6146.1-110.1171.3-171.6-149.4-0.4112.2
22S35Very low38.5Very low111 Ų111159.1 Ų159.178%0.77682%0.823SS**  trans58.3111.1149.752.60000120.1
23E39.5Very low38.5Very low192 Ų192164.1 Ų164.190%0.89783%0.831SS**  trans-61.7152.6156.8-67170.8158.400111.9
24P41.8Very low37.9Very low113 Ų113162.7 Ų162.773%0.73483%0.829SS**  trans-125.4142.1136.333.4-23.5000112.4
25E40.5Very low38.2Very low197 Ų197162.9 Ų162.992%0.92183%0.831SS**  trans-52.5136.8170.1-73.8171.3126.700112.2
26L42Very low38.3Very low168 Ų168163.2 Ų163.288%0.8883%0.833SS**  trans-150.4140.8162-98.9132.8000109.8
27E42.3Very low38.6Very low182 Ų182157.1 Ų157.185%0.8583%0.825SS**PPolyproline II helixtrans-61.2162.3-162.5-64.6-177.216300116.7
28P43Very low38Very low128 Ų128157.7 Ų157.783%0.83183%0.83SS**PPolyproline II helixtrans-75.3133.7-172.529.4-35000114.5
29E39.9Very low38.4Very low175 Ų175155 Ų15582%0.81883%0.828SS**PPolyproline II helixtrans-67.1145.1166.9-67-83.4154.800111.7
30P36.5Very low38.6Very low117 Ų117155.5 Ų155.576%0.7683%0.825SS**PPolyproline II helixtrans-77.3141.4174.430.7-32.8000112.8
31E40.7Very low39.1Very low183 Ų183150.3 Ų150.386%0.85582%0.819SS**PPolyproline II helixtrans-65.4148.5178.9-61.4-160.6162.800113.6
32P37.5Very low39.7Very low124 Ų124146.9 Ų146.981%0.80581%0.813SS**PPolyproline II helixtrans-80.9122.6171.831.3-31.6000111.5A34P32-A34 PolarHBondContact O-N 3.22Å
33E34Very low40.2Very low197 Ų197150.1 Ų150.192%0.92182%0.818SS**PPolyproline II helixtrans-62.8128.1177.9-62.9-156.8172.300112.5
34A34.4Very low40.4Very low93 Ų93145.2 Ų145.277%0.76981%0.811SS**PPolyproline II helixtrans-69.9129.8177.500000111.6P32P32-A34 PolarHBondContact O-N 3.22Å
35S38.7Very low40.9Very low106 Ų106145.4 Ų145.474%0.74182%0.815SS**  trans-2.6120.1156.655.30000117.6
36T39.1Very low41.6Very low132 Ų132139.6 Ų139.681%0.8180%0.801SS**PPolyproline II helixtrans-50.1128.8160.2-34.40000110.5C38T36-C38 PolarHBondContact O-N 3.5Å
37P40.5Very low42.3Very low116 Ų116143.3 Ų143.375%0.75380%0.803SS**PPolyproline II helixtrans-73.2131178.428.4-31000110
38C29.5Very low43.4Very low117 Ų117140.7 Ų140.779%0.79179%0.793SS**PPolyproline II helixtrans-59.9138.6166.7-66.50000109.2T36 R40T36-C38 PolarHBondContact O-N 3.5Å; C38-R40 PolarHBondContact O-N 3.15Å
39P42.3Very low44.6Very low121 Ų121137.1 Ų137.179%0.78678%0.78SS**  trans-66.7113.4173.228.3-31000107.8T41P39-T41 PolarHBondContact O-N 3.34Å
40R41Very low46Very low220 Ų220134.4 Ų134.483%0.8377%0.771SS**  trans-53.7121166-174.2174.3-174.6152.1-1.5106.7C38 E42C38-R40 PolarHBondContact O-N 3.15Å; R40-E42 PolarHBondContact O-N 3.49Å
41T48.5Very low47.3Very low126 Ų126135.8 Ų135.877%0.77377%0.767SS**  trans-62.287.2167.2-54.90000107.4P39 M43P39-T41 PolarHBondContact O-N 3.34Å; T41-M43 PolarHBondContact O-N 2.91Å; T41-M43 VanDerWaalsContact O-N 3.15Å
42E46.8Very low48.5Very low166 Ų166133 Ų13378%0.77675%0.75SS**  trans-64.2108.2158.3-67.8-172.4159.900104.8R40 A44R40-E42 PolarHBondContact O-N 3.49Å; E42-A44 PolarHBondContact O-N 2.95Å
43M46.3Very low49.9Very low179 Ų179130.8 Ų130.888%0.88274%0.742SS**  trans-57.7102.6162.8-71.5-147179.800105.5T41 S45T41-M43 PolarHBondContact O-N 2.91Å; T41-M43 VanDerWaalsContact O-N 3.15Å; M43-S45 PolarHBondContact O-N 3.16Å
44A43.8Very low51.3Low90 Ų90130.6 Ų130.674%0.74474%0.741SS**  trans-52.8112.1166.100000105.2E42 A46E42-A44 PolarHBondContact O-N 2.95Å; A44-A46 PolarHBondContact O-N 3.49Å
45S51.2Low52.5Low117 Ų117133.1 Ų133.182%0.81874%0.742SS**  trans-64.884.9160.342.10000104.8M43 R47M43-S45 PolarHBondContact O-N 3.16Å; S45-R47 PolarHBondContact O-N 3.37Å
46A55.7Low53.2Low75 Ų75129.3 Ų129.362%0.6272%0.715SS**  trans-50.8116.8160.800000104.1A44 I48A44-A46 PolarHBondContact O-N 3.49Å; A46-I48 PolarHBondContact O-N 3.4Å
47R57.6Low54.1Low245 Ų245129 Ų12993%0.92572%0.718SS**  trans-59.197.7157.8-69.6-175.5176.5-178.7-1.4103.1S45 G49S45-R47 PolarHBondContact O-N 3.37Å; R47-G49 PolarHBondContact O-N 3.15Å
48I64.3Low54.9Low128 Ų128128.1 Ų128.166%0.65671%0.707SS**  trans-57.3104.2170-62.2166.7000102.2A46 E51A46-I48 PolarHBondContact O-N 3.4Å; I48-E51 HydrophobicContact CG2-CG 3.7Å; I48-E51 WeakPolarHBondContact CG2-OE1 3.47Å
49G67.8Low56.1Low53 Ų53127 Ų12755%0.54669%0.69SS.*  trans-54.9156.1171.500000107.7R47 E51R47-G49 PolarHBondContact O-N 3.15Å; G49-E51 PolarHBondContact O-N 2.92Å
50D70.1Confident56.7Low118 Ų118130.1 Ų130.163%0.63170%0.695SS**  trans-52.8109176.6-164.6-12.8000109.3Y52 A53D50-Y52 PolarHBondContact O-N 2.97Å; D50-Y52 VanDerWaalsContact O-N 3.1Å; D50-Y52 WeakPolarHBondContact OD1-CD2 3.41Å; D50-Y52 PolarHBondContact OD1-N 3.39Å; D50-A53 HydrophobicContact CB-CB 4.43Å; D50-A53 VanDerWaalsContact O-CB 3.32Å; D50-A53 WeakPolarHBondContact O-CB 3.49Å; D50-A53 PolarHBondContact O-N 3.38Å
51E64.3Low57.4Low146 Ų146123 Ų12368%0.68267%0.673SS**THydrogen-bonded Turntrans-64.1-16.7-173.4-64.1178.8176.500111.2I48 G49I48-E51 HydrophobicContact CG2-CG 3.7Å; I48-E51 WeakPolarHBondContact CG2-OE1 3.47Å; G49-E51 PolarHBondContact O-N 2.92Å
52Y64.8Low57.8Low123 Ų123122.4 Ų122.448%0.48266%0.664SS.*THydrogen-bonded Turntrans-85.9-3.9178.4-62.9-86.4000113.6D50D50-Y52 PolarHBondContact O-N 2.97Å; D50-Y52 VanDerWaalsContact O-N 3.1Å; D50-Y52 WeakPolarHBondContact OD1-CD2 3.41Å; D50-Y52 PolarHBondContact OD1-N 3.39Å
53A66.6Low58.6Low78 Ų78122.8 Ų122.865%0.64566%0.658SS**SBendtrans-77.8-21.5-172.500000115.2D50D50-A53 HydrophobicContact CB-CB 4.43Å; D50-A53 VanDerWaalsContact O-CB 3.32Å; D50-A53 WeakPolarHBondContact O-CB 3.49Å; D50-A53 PolarHBondContact O-N 3.38Å
54E64.3Low59.6Low194 Ų194114.6 Ų114.691%0.90762%0.618SS**SBendtrans-116.6-30.8-166.1-65.7-176.5-178.600114.2
55D58.8Low61.1Low145 Ų145114.3 Ų114.378%0.77561%0.607SS**  trans-157.179.9178-170.315.4000110.3
56S53.8Low62.3Low27 Ų27110 Ų11019%0.18958%0.575CS.*  trans-98.597.5170.5172.60000110.2D58 E59S56-D58 PolarHBondContact O-N 2.89Å; S56-D58 PolarHBondContact OG-N 3.38Å; S56-D58 VanDerWaalsContact OG-N 3.1Å; S56-D58 PolarHBondContact OG-OD1 3.22Å; S56-E59 WeakPolarHBondContact OG-CB 3.38Å; S56-E59 VanDerWaalsContact OG-CG 3.22Å; S56-E59 WeakPolarHBondContact OG-CG 3.09Å; S56-E59 PolarHBondContact OG-N 2.96Å
57S59.3Low63.4Low124 Ų124107.5 Ų107.587%0.86756%0.558SS**THydrogen-bonded Turntrans-66.9-1.5162.5-178.40000112.8
58D56.3Low64.5Low98 Ų98104.1 Ų104.152%0.52456%0.558SS.*THydrogen-bonded Turntrans-114.1-4.4-178.485.1-22.7000114.8S56S56-D58 PolarHBondContact O-N 2.89Å; S56-D58 PolarHBondContact OG-N 3.38Å; S56-D58 VanDerWaalsContact OG-N 3.1Å; S56-D58 PolarHBondContact OG-OD1 3.22Å
59E55.2Low65.4Low94 Ų94100.3 Ų100.344%0.43954%0.54SS..THydrogen-bonded Turntrans-88-2.2-174.2-94.6-170.8149.500115.4S56 D61 I62S56-E59 WeakPolarHBondContact OG-CB 3.38Å; S56-E59 VanDerWaalsContact OG-CG 3.22Å; S56-E59 WeakPolarHBondContact OG-CG 3.09Å; S56-E59 PolarHBondContact OG-N 2.96Å; E59-D61 VanDerWaalsContact C-N 3.29Å; E59-I62 VanDerWaalsContact O-CG1 3.22Å; E59-I62 WeakPolarHBondContact O-CG1 3.33Å
60E54Low66.2Low187 Ų187101.1 Ų101.187%0.87454%0.536SS*.THydrogen-bonded Turntrans-75.3-23.2172.2-64.9-162.2154.900111.9
61D56Low66.6Low71 Ų7198.7 Ų98.738%0.3852%0.523SS..SBendtrans-98.6-4.1-171.2-140.910000114.1E59 R63 N64 M119E59-D61 VanDerWaalsContact C-N 3.29Å; D61-R63 PolarHBondContact O-N 3.4Å; D61-N64 CarbonylContact O-C 3.49Å; D61-N64 PolarHBondContact O-N 3.35Å; D61-N64 VanDerWaalsContact O-O 3.09Å; D61-M119 WeakPolarHBondContact OD1-CE 3.18Å
62I57Low67.5Low113 Ų11398.9 Ų98.958%0.57952%0.524SS*.THydrogen-bonded Turntrans-63.8-15.118047.4157.3000113.8E59E59-I62 VanDerWaalsContact O-CG1 3.22Å; E59-I62 WeakPolarHBondContact O-CG1 3.33Å
63R63.1Low68.5Low174 Ų174101.7 Ų101.766%0.65753%0.533SS*.THydrogen-bonded Turntrans-84.2-20.4174.4-67-168.8-176.488.73.9113.4D61 I89D61-R63 PolarHBondContact O-N 3.4Å; R63-I89 WeakPolarHBondContact O-CD1 3.1Å
64N68.8Low69.3Low6 Ų6100.5 Ų100.53%0.03251%0.513CS..  trans-139.2112.5-178.8-174.18.9000111.8D61 V66 I89 M119D61-N64 CarbonylContact O-C 3.49Å; D61-N64 PolarHBondContact O-N 3.35Å; D61-N64 VanDerWaalsContact O-O 3.09Å; N64-V66 VanDerWaalsContact C-N 3.26Å; N64-V66 PolarHBondContact O-N 2.88Å; N64-V66 WeakPolarHBondContact OD1-CB 3.48Å; N64-V66 VanDerWaalsContact OD1-CG2 3.22Å; N64-V66 WeakPolarHBondContact OD1-CG2 3.37Å; N64-V66 PolarHBondContact OD1-N 2.88Å; N64-I89 HydrophobicContact CB-CD1 4.2Å; N64-M119 HydrophobicContact CB-CE 4.11Å; N64-M119 HydrophobicContact CB-SD 4.23Å; N64-M119 WeakPolarHBondContact ND2-CE 3.22Å
65T75.4Confident70.1Confident84 Ų8496.1 Ų96.152%0.51550%0.496SS..THydrogen-bonded Turntrans-80.1-0.5-176.362.30000114.9G67 Y82T65-G67 VanDerWaalsContact C-N 3.26Å; T65-G67 PolarHBondContact O-N 3.38Å; T65-Y82 PolarHBondContact OG1-O 2.88Å
66V76.4Confident71.4Confident26 Ų2696.8 Ų96.816%0.15850%0.499CS..THydrogen-bonded Turntrans-68.7-25.3-175.5173.10000112.4N64 V69 Y74N64-V66 VanDerWaalsContact C-N 3.26Å; N64-V66 PolarHBondContact O-N 2.88Å; N64-V66 WeakPolarHBondContact OD1-CB 3.48Å; N64-V66 VanDerWaalsContact OD1-CG2 3.22Å; N64-V66 WeakPolarHBondContact OD1-CG2 3.37Å; N64-V66 PolarHBondContact OD1-N 2.88Å; V66-V69 HydrophobicContact CG1-CB 3.75Å; V66-V69 HydrophobicContact CG1-CG1 4.43Å; V66-V69 HydrophobicContact CG1-CG2 4.06Å; V66-V69 VanDerWaalsContact O-CG2 3.27Å; V66-V69 WeakPolarHBondContact O-CG2 3.28Å; V66-Y74 HydrophobicContact CG1-CE2 3.9Å; V66-Y74 HydrophobicContact CG2-CE2 4.41Å
67G77.7Confident72.9Confident24 Ų24100.8 Ų100.825%0.24751%0.513CS..  trans62.5-155.7-176.900000113T65 V69 M119T65-G67 VanDerWaalsContact C-N 3.26Å; T65-G67 PolarHBondContact O-N 3.38Å; G67-V69 VanDerWaalsContact C-N 3.28Å; G67-V69 PolarHBondContact O-N 3.35Å; G67-M119 WeakPolarHBondContact O-CE 3.41Å
68N80.7Confident74.1Confident173 Ų17399.2 Ų99.293%0.92550%0.5SS*.SBendtrans-7967.6-178-170.826.7000113
69V83.1Confident75.4Confident48 Ų4895.5 Ų95.529%0.29148%0.48SS..  trans-108.7142.1174.7176.10000109.3V66 G67 L71 W73V66-V69 HydrophobicContact CG1-CB 3.75Å; V66-V69 HydrophobicContact CG1-CG1 4.43Å; V66-V69 HydrophobicContact CG1-CG2 4.06Å; V66-V69 VanDerWaalsContact O-CG2 3.27Å; V66-V69 WeakPolarHBondContact O-CG2 3.28Å; G67-V69 VanDerWaalsContact C-N 3.28Å; G67-V69 PolarHBondContact O-N 3.35Å; V69-L71 PolarHBondContact O-N 3.43Å; V69-W73 HydrophobicContact CG1-CD2 4.31Å; V69-W73 HydrophobicContact CG1-CE3 3.59Å; V69-W73 HydrophobicContact CG1-CZ3 3.8Å
70P83.8Confident76.7Confident71 Ų7191.6 Ų91.646%0.46146%0.462SS..  trans-55.1126.5175.4-2635.3000112.3E72 W73P70-E72 PolarHBondContact O-N 2.95Å; P70-W73 PolarHBondContact O-N 2.86Å
71L79.4Confident78.1Confident67 Ų6782.7 Ų82.735%0.35142%0.421SS..G310 helixtrans-67.6-22-178.3-69.6162.9000113.2V69 W73 Y74 V80 P118V69-L71 PolarHBondContact O-N 3.43Å; L71-W73 PolarHBondContact O-N 3.46Å; L71-W73 VanDerWaalsContact O-N 3.09Å; L71-Y74 PolarHBondContact O-N 3.27Å; L71-V80 HydrophobicContact CD2-CG1 4.06Å; L71-P118 HydrophobicContact CD1-CB 4Å; L71-P118 WeakPolarHBondContact CD1-O 3.36Å
72E84Confident79.4Confident150 Ų15084.5 Ų84.570%0.70142%0.423SS*.G310 helixtrans-53.7-31.2177.9-61.3-179.2170.200112.4P70 Y74 D75P70-E72 PolarHBondContact O-N 2.95Å; E72-Y74 PolarHBondContact O-N 3.26Å; E72-D75 WeakPolarHBondContact CA-OD2 3.4Å; E72-D75 WeakPolarHBondContact O-CB 3.43Å; E72-D75 PolarHBondContact O-N 2.97Å; E72-D75 VanDerWaalsContact O-N 3.17Å
73W85.1Confident80.5Confident181 Ų18181.8 Ų81.869%0.68641%0.409SS*.G310 helixtrans-67-19.2179.3-67.42.6000113.6V69 P70 L71V69-W73 HydrophobicContact CG1-CD2 4.31Å; V69-W73 HydrophobicContact CG1-CE3 3.59Å; V69-W73 HydrophobicContact CG1-CZ3 3.8Å; P70-W73 PolarHBondContact O-N 2.86Å; L71-W73 PolarHBondContact O-N 3.46Å; L71-W73 VanDerWaalsContact O-N 3.09Å
74Y82.8Confident81.4Confident53 Ų5381 Ų8121%0.20842%0.418CS..G310 helixtrans-98.9-0.7178.4-69.1-81.3000112.6V66 L71 E72 D76 F77 H79 V80 K91V66-Y74 HydrophobicContact CG1-CE2 3.9Å; V66-Y74 HydrophobicContact CG2-CE2 4.41Å; L71-Y74 PolarHBondContact O-N 3.27Å; E72-Y74 PolarHBondContact O-N 3.26Å; Y74-D76 VanDerWaalsContact C-N 3.31Å; Y74-D76 PolarHBondContact O-N 2.96Å; Y74-F77 PolarHBondContact O-N 2.88Å; Y74-F77 VanDerWaalsContact O-O 3.07Å; Y74-H79 WeakPolarHBondContact CD1-O 3.44Å; Y74-V80 HydrophobicContact CD2-CG1 4.47Å; Y74-K91 VanDerWaalsContact C-NZ 3.3Å; Y74-K91 WeakPolarHBondContact O-CE 3.37Å; Y74-K91 PolarHBondContact O-NZ 3.38Å
75D81.7Confident82.1Confident103 Ų10386.9 Ų86.955%0.55145%0.449SS*.THydrogen-bonded Turntrans-55.4-43.8-174.7-74.2-14.8000113E72 F77E72-D75 WeakPolarHBondContact CA-OD2 3.4Å; E72-D75 WeakPolarHBondContact O-CB 3.43Å; E72-D75 PolarHBondContact O-N 2.97Å; E72-D75 VanDerWaalsContact O-N 3.17Å; D75-F77 PolarHBondContact O-N 3.36Å
76D86.2Confident82.3Confident159 Ų15985.3 Ų85.385%0.8545%0.45SS*.THydrogen-bonded Turntrans-76.1-9178.5-64.3-37.1000113.9Y74Y74-D76 VanDerWaalsContact C-N 3.31Å; Y74-D76 PolarHBondContact O-N 2.96Å
77F84.1Confident82.7Confident110 Ų11092.3 Ų92.348%0.48247%0.473SS..SBendtrans-104.1138.3-175.7-65.2-81.1000112.3Y74 D75 H79 K91Y74-F77 PolarHBondContact O-N 2.88Å; Y74-F77 VanDerWaalsContact O-O 3.07Å; D75-F77 PolarHBondContact O-N 3.36Å; F77-H79 PolarHBondContact O-N 2.88Å; F77-K91 WeakPolarHBondContact O-CE 3.49Å; F77-K91 PolarHBondContact O-NZ 3.17Å
78P84.8Confident83.1Confident92 Ų9298 Ų9860%0.59749%0.487SS*.SBendtrans-68.8-0.6176.6-22.233.6000115.7K91P78-K91 PolarHBondContact O-N 3.34Å
79H84.1Confident83.2Confident20 Ų2091.1 Ų91.19%0.09345%0.45CS..EExtended strand (participates in β ladder)trans-139153.1-175.269.3-65.8000110Y74 F77 G81 Y82 R88 I89 Y90Y74-H79 WeakPolarHBondContact CD1-O 3.44Å; F77-H79 PolarHBondContact O-N 2.88Å; H79-G81 PolarHBondContact CD2-O 3.46Å; H79-Y82 AromaticContact NE2-CE2 3.99Å; H79-Y82 AromaticContact NE2-CZ 3.68Å; H79-R88 HydrophobicContact CB-CB 4.19Å; H79-I89 CarbonylContact C-O 3.57Å; H79-I89 WeakPolarHBondContact CA-O 3.37Å; H79-I89 WeakPolarHBondContact CB-O 3.27Å; H79-Y90 HydrophobicContact CB-CD1 4.35Å
80V82.2Confident83.2Confident12 Ų1295.9 Ų95.97%0.07346%0.464CS..EExtended strand (participates in β ladder)trans-116.499.9174.9178.60000107L71 Y74 I89 K91L71-V80 HydrophobicContact CD2-CG1 4.06Å; Y74-V80 HydrophobicContact CD2-CG1 4.47Å; V80-I89 PolarHBondContact N-O 3.33Å; V80-I89 WeakPolarHBondContact O-CB 3.38Å; V80-K91 HydrophobicContact CG2-CD 4.06Å; V80-K91 HydrophobicContact CG2-CG 3.6Å
81G82.8Confident82.9Confident0 Ų095 Ų950%045%0.453CS..EExtended strand (participates in β ladder)trans71-168.4176.300000116.5H79 I89H79-G81 PolarHBondContact CD2-O 3.46Å; G81-I89 PolarHBondContact O-N 3.38Å
82Y83.9Confident82.8Confident109 Ų10994.1 Ų94.143%0.42745%0.451SS..EExtended strand (participates in β ladder)trans-132.7148.5-178.9-62.3-93.5000110.9T65 H79 R87 R88T65-Y82 PolarHBondContact OG1-O 2.88Å; H79-Y82 AromaticContact NE2-CE2 3.99Å; H79-Y82 AromaticContact NE2-CZ 3.68Å; Y82-R87 CarbonylContact C-O 3.47Å; Y82-R87 WeakPolarHBondContact CA-O 3.47Å; Y82-R88 HydrophobicContact CD1-CG 3.78Å; Y82-R88 HydrophobicContact CE1-CB 4.49Å; Y82-R88 HydrophobicContact CE1-CG 3.32Å
83D81.5Confident81.8Confident55 Ų5595.9 Ų95.929%0.29446%0.464SS..  trans-67.7166.6170.2-66.2-36.7000110.8D85 G86 R87 I89D83-D85 PolarHBondContact O-N 3.19Å; D83-D85 VanDerWaalsContact O-N 3.13Å; D83-G86 WeakPolarHBondContact O-CA 3.24Å; D83-G86 PolarHBondContact O-N 2.97Å; D83-R87 HydrophobicContact CB-CB 4.29Å; D83-R87 PolarHBondContact N-O 2.82Å; D83-R87 WeakPolarHBondContact OD2-CB 3.41Å; D83-I89 WeakPolarHBondContact OD1-CD1 3.43Å; D83-I89 WeakPolarHBondContact OD1-CG1 3.42Å
84L81.5Confident80.8Confident158 Ų15897.5 Ų97.583%0.82747%0.47SS*.THydrogen-bonded Turntrans-53-32.5171.8-175.364.9000112.8G86L84-G86 VanDerWaalsContact C-N 3.28Å; L84-G86 PolarHBondContact O-N 2.96Å
85D82.2Confident79.9Confident130 Ų130100.1 Ų100.170%0.69549%0.492SS*.THydrogen-bonded Turntrans-81.81.9176.1-65.3-36.6000113.9D83 R87D83-D85 PolarHBondContact O-N 3.19Å; D83-D85 VanDerWaalsContact O-N 3.13Å; D85-R87 HydrophobicContact CB-CG 4.5Å
86G81.3Confident79.2Confident51 Ų51100 Ų10053%0.52648%0.484SS..SBendtrans76.517.5-17900000114.9D83 L84D83-G86 WeakPolarHBondContact O-CA 3.24Å; D83-G86 PolarHBondContact O-N 2.97Å; L84-G86 VanDerWaalsContact C-N 3.28Å; L84-G86 PolarHBondContact O-N 2.96Å
87R84.6Confident78.7Confident172 Ų17297.5 Ų97.565%0.64947%0.47SS*.  trans-82.8145.7175-64.8179.1-177.3177.54.6110.3Y82 D83 D85Y82-R87 CarbonylContact C-O 3.47Å; Y82-R87 WeakPolarHBondContact CA-O 3.47Å; D83-R87 HydrophobicContact CB-CB 4.29Å; D83-R87 PolarHBondContact N-O 2.82Å; D83-R87 WeakPolarHBondContact OD2-CB 3.41Å; D85-R87 HydrophobicContact CB-CG 4.5Å
88R85.8Confident78.7Confident143 Ų143100.3 Ų100.354%0.5449%0.485SS..EExtended strand (participates in β ladder)trans-76126.5-180-73.4175.3-95.3-172.8-5.1110.3H79 Y82 Y90H79-R88 HydrophobicContact CB-CB 4.19Å; Y82-R88 HydrophobicContact CD1-CG 3.78Å; Y82-R88 HydrophobicContact CE1-CB 4.49Å; Y82-R88 HydrophobicContact CE1-CG 3.32Å; R88-Y90 HydrophobicContact CB-CE2 4.42Å; R88-Y90 PolarHBondContact O-N 3.33Å
89I83.2Confident78.7Confident30 Ų30102 Ų10215%0.15449%0.488CS..EExtended strand (participates in β ladder)trans-87101.4175.1-56.9157.1000108.1R63 N64 H79 V80 G81 D83R63-I89 WeakPolarHBondContact O-CD1 3.1Å; N64-I89 HydrophobicContact CB-CD1 4.2Å; H79-I89 CarbonylContact C-O 3.57Å; H79-I89 WeakPolarHBondContact CA-O 3.37Å; H79-I89 WeakPolarHBondContact CB-O 3.27Å; V80-I89 PolarHBondContact N-O 3.33Å; V80-I89 WeakPolarHBondContact O-CB 3.38Å; G81-I89 PolarHBondContact O-N 3.38Å; D83-I89 WeakPolarHBondContact OD1-CD1 3.43Å; D83-I89 WeakPolarHBondContact OD1-CG1 3.42Å
90Y82.8Confident78.7Confident148 Ų148103.9 Ų103.958%0.5850%0.499SS*.EExtended strand (participates in β ladder)trans-69.5140-178.4-69.5-77.8000111.9H79 R88H79-Y90 HydrophobicContact CB-CD1 4.35Å; R88-Y90 HydrophobicContact CB-CE2 4.42Å; R88-Y90 PolarHBondContact O-N 3.33Å
91K77.4Confident78.7Confident53 Ų53107.5 Ų107.523%0.2352%0.515CS..PPolyproline II helixtrans-61147.4167.2-68-178.5-179.9-175.10109.1Y74 F77 P78 V80 L93Y74-K91 VanDerWaalsContact C-NZ 3.3Å; Y74-K91 WeakPolarHBondContact O-CE 3.37Å; Y74-K91 PolarHBondContact O-NZ 3.38Å; F77-K91 WeakPolarHBondContact O-CE 3.49Å; F77-K91 PolarHBondContact O-NZ 3.17Å; P78-K91 PolarHBondContact O-N 3.34Å; V80-K91 HydrophobicContact CG2-CD 4.06Å; V80-K91 HydrophobicContact CG2-CG 3.6Å; K91-L93 PolarHBondContact O-N 3.22Å
92P76.4Confident79Confident48 Ų48112.8 Ų112.831%0.31254%0.539SS..PPolyproline II helixtrans-53.9132168.123.5-31.5000108.9R94 T120P92-R94 PolarHBondContact O-N 3.43Å; P92-T120 WeakPolarHBondContact CD-O 3.43Å
93L63.3Low79.1Confident187 Ų187111.6 Ų111.698%0.97954%0.539SS*.SBendtrans-60.1-10.6-172.5-69.6158.7000114K91K91-L93 PolarHBondContact O-N 3.22Å
94R64.5Low79.3Confident214 Ų214110.5 Ų110.581%0.80853%0.533SS*.  trans-132.9105172.5-82.8-179.5148.5176.1-9.9108.4P92P92-R94 PolarHBondContact O-N 3.43Å
95T63.7Low79.5Confident109 Ų109109.7 Ų109.767%0.66952%0.523SS*.PPolyproline II helixtrans-66124152.738.50000107D97T95-D97 PolarHBondContact O-N 3.18Å
96R66.7Low79.7Confident101 Ų101109.5 Ų109.538%0.38152%0.519SS..PPolyproline II helixtrans-64125178.9-68.5-171.2-170.4165.515.7109.1D100 Q101 D104 D123R96-D100 HydrophobicContact CB-CB 3.89Å; R96-D100 HydrophobicContact CG-CB 4.37Å; R96-Q101 HydrophobicContact CB-CG 4.39Å; R96-D104 WeakPolarHBondContact CD-OD2 2.98Å; R96-D104 IonicContact CZ-OD2 3.36Å; R96-D104 IonicContact NE-OD2 3.98Å; R96-D104 IonicContact NH1-OD2 3.69Å; R96-D104 PolarHBondContact NH1-OD2 2.83Å; R96-D123 IonicContact CZ-OD1 3.15Å; R96-D123 IonicContact CZ-OD2 2.72Å; R96-D123 IonicContact NE-OD1 3.59Å; R96-D123 IonicContact NH1-OD1 2.7Å; R96-D123 IonicContact NH1-OD2 3.46Å; R96-D123 PolarHBondContact NH1-OD2 3.37Å; R96-D123 VanDerWaalsContact NH2-CG 3.34Å; R96-D123 IonicContact NH2-OD1 3.62Å; R96-D123 PolarHBondContact NH2-OD1 2.64Å; R96-D123 IonicContact NH2-OD2 3.82Å; R96-D123 PolarHBondContact NH2-OD2 3.27Å
97D76.9Confident80Confident105 Ų105112.7 Ų112.756%0.56153%0.525SS*.PPolyproline II helixtrans-64160.5176-70.2-30.1000109.7T95 L99 D100 Q101T95-D97 PolarHBondContact O-N 3.18Å; D97-L99 PolarHBondContact O-N 3.14Å; D97-L99 VanDerWaalsContact O-N 3.08Å; D97-D100 PolarHBondContact N-OD2 2.75Å; D97-D100 WeakPolarHBondContact O-CB 3.41Å; D97-D100 PolarHBondContact O-N 3.15Å; D97-Q101 PolarHBondContact O-N 3.03Å
98E82.9Confident80.1Confident169 Ų169108.6 Ų108.679%0.7952%0.516SS*.Hα-helixtrans-55.2-29.7175.1-63.4-178164.700112F102E98-F102 WeakPolarHBondContact O-CB 3.42Å; E98-F102 PolarHBondContact O-N 3.15Å; E98-F102 VanDerWaalsContact O-N 3.11Å
99L85.5Confident80.1Confident128 Ų128106.7 Ų106.767%0.6752%0.521SS*.Hα-helixtrans-68.8-40174.1-65179.4000112.4D97 F102 L103D97-L99 PolarHBondContact O-N 3.14Å; D97-L99 VanDerWaalsContact O-N 3.08Å; L99-F102 WeakPolarHBondContact O-CB 3.25Å; L99-F102 PolarHBondContact O-N 3.25Å; L99-L103 WeakPolarHBondContact O-CG 3.48Å; L99-L103 PolarHBondContact O-N 3.17Å
100D83.1Confident80.2Confident59 Ų59107.2 Ų107.232%0.31653%0.525SS..Hα-helixtrans-66.9-42.4177.6-69.2-23.2000110.2R96 D97 F102 L103 D104R96-D100 HydrophobicContact CB-CB 3.89Å; R96-D100 HydrophobicContact CG-CB 4.37Å; D97-D100 PolarHBondContact N-OD2 2.75Å; D97-D100 WeakPolarHBondContact O-CB 3.41Å; D97-D100 PolarHBondContact O-N 3.15Å; D100-F102 PolarHBondContact O-N 3.4Å; D100-L103 PolarHBondContact O-N 3.2Å; D100-L103 VanDerWaalsContact O-N 3.16Å; D100-D104 PolarHBondContact O-N 3.27Å
101Q83.8Confident80.4Confident89 Ų89103.8 Ų103.842%0.41651%0.511SS..Hα-helixtrans-61.1-35.6174.4-65.2178.93100112.4R96 D97 K105R96-Q101 HydrophobicContact CB-CG 4.39Å; D97-Q101 PolarHBondContact O-N 3.03Å; Q101-K105 WeakPolarHBondContact O-CB 3.27Å; Q101-K105 PolarHBondContact O-N 3.18Å; Q101-K105 VanDerWaalsContact O-N 3.07Å
102F87.3Confident80.8Confident111 Ų111107.7 Ų107.749%0.48753%0.525SS..Hα-helixtrans-70-39.6176.2179.3-97.5000112.2E98 L99 D100 K105 M106E98-F102 WeakPolarHBondContact O-CB 3.42Å; E98-F102 PolarHBondContact O-N 3.15Å; E98-F102 VanDerWaalsContact O-N 3.11Å; L99-F102 WeakPolarHBondContact O-CB 3.25Å; L99-F102 PolarHBondContact O-N 3.25Å; D100-F102 PolarHBondContact O-N 3.4Å; F102-K105 WeakPolarHBondContact O-CB 3.39Å; F102-K105 PolarHBondContact O-N 3.09Å; F102-M106 HydrophobicContact CD1-SD 4.34Å; F102-M106 HydrophobicContact CE1-CE 3.65Å; F102-M106 HydrophobicContact CE1-SD 3.59Å; F102-M106 VanDerWaalsContact CE1-SD 3.59Å; F102-M106 HydrophobicContact CE2-CE 3.69Å; F102-M106 HydrophobicContact CZ-CE 3.1Å; F102-M106 HydrophobicContact CZ-SD 3.73Å; F102-M106 PolarHBondContact O-N 3.44Å
103L87.4Confident81.4Confident84 Ų84108.2 Ų108.244%0.4452%0.52SS..Hα-helixtrans-64.7-47.8174.2-71.5174.3000111L99 D100 K105 M106 D107L99-L103 WeakPolarHBondContact O-CG 3.48Å; L99-L103 PolarHBondContact O-N 3.17Å; D100-L103 PolarHBondContact O-N 3.2Å; D100-L103 VanDerWaalsContact O-N 3.16Å; L103-K105 PolarHBondContact O-N 3.29Å; L103-M106 PolarHBondContact O-N 3.26Å; L103-D107 WeakPolarHBondContact O-CB 2.91Å; L103-D107 PolarHBondContact O-N 2.54Å
104D85.6Confident82.6Confident32 Ų32101.1 Ų101.117%0.17149%0.485CS..Hα-helixtrans-57.1-38.7176.9-64.5-18000111R96 D100 M106 D108 Y111R96-D104 WeakPolarHBondContact CD-OD2 2.98Å; R96-D104 IonicContact CZ-OD2 3.36Å; R96-D104 IonicContact NE-OD2 3.98Å; R96-D104 IonicContact NH1-OD2 3.69Å; R96-D104 PolarHBondContact NH1-OD2 2.83Å; D100-D104 PolarHBondContact O-N 3.27Å; D104-M106 VanDerWaalsContact C-N 3.25Å; D104-M106 PolarHBondContact O-N 3.48Å; D104-D108 WeakPolarHBondContact O-CB 3.43Å; D104-D108 PolarHBondContact O-N 2.77Å; D104-Y111 HydrophobicContact CB-CD2 3.71Å; D104-Y111 HydrophobicContact CB-CE2 3.79Å
105K86.3Confident83.8Confident140 Ų14094.5 Ų94.561%0.60947%0.468SS*.Hα-helixtrans-63.9-27.7176.2-175.6177.1179.2179.90113.8Q101 F102 L103 Y111Q101-K105 WeakPolarHBondContact O-CB 3.27Å; Q101-K105 PolarHBondContact O-N 3.18Å; Q101-K105 VanDerWaalsContact O-N 3.07Å; F102-K105 WeakPolarHBondContact O-CB 3.39Å; F102-K105 PolarHBondContact O-N 3.09Å; L103-K105 PolarHBondContact O-N 3.29Å; K105-Y111 HydrophobicContact CB-CD1 4.05Å; K105-Y111 HydrophobicContact CB-CE1 3.86Å; K105-Y111 HydrophobicContact CB-CE2 4.35Å; K105-Y111 HydrophobicContact CB-CG 4.39Å; K105-Y111 HydrophobicContact CD-CE1 4.4Å; K105-Y111 HydrophobicContact CG-CD1 4.07Å; K105-Y111 HydrophobicContact CG-CE1 3.94Å
106M85.8Confident84.7Confident126 Ų12693.8 Ų93.862%0.62146%0.457SS*.Hα-helixtrans-93.8-38.3180-70.7-168.9163.300112.9F102 L103 D104F102-M106 HydrophobicContact CD1-SD 4.34Å; F102-M106 HydrophobicContact CE1-CE 3.65Å; F102-M106 HydrophobicContact CE1-SD 3.59Å; F102-M106 VanDerWaalsContact CE1-SD 3.59Å; F102-M106 HydrophobicContact CE2-CE 3.69Å; F102-M106 HydrophobicContact CZ-CE 3.1Å; F102-M106 HydrophobicContact CZ-SD 3.73Å; F102-M106 PolarHBondContact O-N 3.44Å; L103-M106 PolarHBondContact O-N 3.26Å; D104-M106 VanDerWaalsContact C-N 3.25Å; D104-M106 PolarHBondContact O-N 3.48Å
107D86.7Confident85.4Confident119 Ų11991 Ų9164%0.63645%0.45SS*.Hα-helixtrans-93.7-32.5-169.1-69.3-20.4000112.5L103 P109L103-D107 WeakPolarHBondContact O-CB 2.91Å; L103-D107 PolarHBondContact O-N 2.54Å; D107-P109 WeakPolarHBondContact O-CD 3.39Å
108D87.1Confident85.3Confident86 Ų8690.4 Ų90.446%0.4645%0.452SS..  trans-91.5117-177.7-74.4-33.6000112.4D104 D110 Y111D104-D108 WeakPolarHBondContact O-CB 3.43Å; D104-D108 PolarHBondContact O-N 2.77Å; D108-D110 PolarHBondContact O-N 2.91Å; D108-Y111 WeakPolarHBondContact O-CB 3.46Å; D108-Y111 PolarHBondContact O-N 3.36Å
109P86.1Confident84.8Confident102 Ų10284.4 Ų84.466%0.66242%0.424SS*.THydrogen-bonded Turntrans-67.9-16.9176.929-35.6000113.1D107 W112D107-P109 WeakPolarHBondContact O-CD 3.39Å; P109-W112 PolarHBondContact O-NE1 3.39Å
110D85.4Confident84.1Confident42 Ų4279.7 Ų79.723%0.22540%0.401CS..THydrogen-bonded Turntrans-102.88.8-179.8-72-38000113.1D108 W112 R113 T114 R125D108-D110 PolarHBondContact O-N 2.91Å; D110-W112 PolarHBondContact O-N 3.45Å; D110-W112 VanDerWaalsContact O-N 3.16Å; D110-R113 WeakPolarHBondContact O-CA 3.34Å; D110-R113 VanDerWaalsContact O-CB 3.31Å; D110-R113 WeakPolarHBondContact O-CB 3.05Å; D110-R113 PolarHBondContact O-N 3.43Å; D110-R113 WeakPolarHBondContact OD1-CD 3.15Å; D110-R113 IonicContact OD1-CZ 3.2Å; D110-R113 IonicContact OD1-NE 3.15Å; D110-R113 IonicContact OD1-NH1 2.66Å; D110-R113 PolarHBondContact OD1-NH1 3.16Å; D110-T114 PolarHBondContact O-N 3.38Å; D110-R125 IonicContact OD2-CZ 3.8Å; D110-R125 IonicContact OD2-NH2 2.67Å; D110-R125 PolarHBondContact OD2-NH2 3.08Å
111Y86.9Confident83.7Confident75 Ų7578.8 Ų78.829%0.29441%0.405SS..G310 helixtrans-56.7-32.9179.1-177.5-96.1000113.1D104 K105 D108 R113 T114D104-Y111 HydrophobicContact CB-CD2 3.71Å; D104-Y111 HydrophobicContact CB-CE2 3.79Å; K105-Y111 HydrophobicContact CB-CD1 4.05Å; K105-Y111 HydrophobicContact CB-CE1 3.86Å; K105-Y111 HydrophobicContact CB-CE2 4.35Å; K105-Y111 HydrophobicContact CB-CG 4.39Å; K105-Y111 HydrophobicContact CD-CE1 4.4Å; K105-Y111 HydrophobicContact CG-CD1 4.07Å; K105-Y111 HydrophobicContact CG-CE1 3.94Å; D108-Y111 WeakPolarHBondContact O-CB 3.46Å; D108-Y111 PolarHBondContact O-N 3.36Å; Y111-R113 PolarHBondContact O-N 3.16Å; Y111-T114 PolarHBondContact O-N 3.49Å; Y111-T114 PolarHBondContact O-OG1 2.92Å
112W84.8Confident83.4Confident136 Ų13681.8 Ų81.852%0.51541%0.413SS..G310 helixtrans-70.8-10.1175.664-86.5000113.8P109 D110 V131 R135P109-W112 PolarHBondContact O-NE1 3.39Å; D110-W112 PolarHBondContact O-N 3.45Å; D110-W112 VanDerWaalsContact O-N 3.16Å; W112-V131 HydrophobicContact CH2-CG1 4.02Å; W112-V131 HydrophobicContact CZ3-CG1 3.64Å; W112-R135 VanDerWaalsContact CZ3-NH2 3.29Å
113R89.9Confident83.2Confident58 Ų5878.4 Ų78.422%0.21940%0.4CS..G310 helixtrans-100.4-9.4176.7-57.7176.3167.7-166.6-25.8112.9D110 Y111 L126 D128 V131D110-R113 WeakPolarHBondContact O-CA 3.34Å; D110-R113 VanDerWaalsContact O-CB 3.31Å; D110-R113 WeakPolarHBondContact O-CB 3.05Å; D110-R113 PolarHBondContact O-N 3.43Å; D110-R113 WeakPolarHBondContact OD1-CD 3.15Å; D110-R113 IonicContact OD1-CZ 3.2Å; D110-R113 IonicContact OD1-NE 3.15Å; D110-R113 IonicContact OD1-NH1 2.66Å; D110-R113 PolarHBondContact OD1-NH1 3.16Å; Y111-R113 PolarHBondContact O-N 3.16Å; R113-L126 WeakPolarHBondContact O-CB 3.44Å; R113-L126 WeakPolarHBondContact O-CG 3.4Å; R113-L126 PolarHBondContact O-N 2.9Å; R113-D128 IonicContact CZ-OD1 3.31Å; R113-D128 IonicContact NH1-OD1 3.76Å; R113-D128 PolarHBondContact NH1-OD1 3.09Å; R113-D128 VanDerWaalsContact NH1-OD1 3.15Å; R113-D128 IonicContact NH2-OD1 3.29Å; R113-D128 PolarHBondContact NH2-OD1 3.37Å; R113-V131 HydrophobicContact CG-CG2 4.39Å
114T89.4Confident83.1Confident38 Ų3879 Ų7923%0.23340%0.403CS..EExtended strand (participates in β ladder)trans-87.2134.4179.445.30000111.2D110 Y111 L124 R125D110-T114 PolarHBondContact O-N 3.38Å; Y111-T114 PolarHBondContact O-N 3.49Å; Y111-T114 PolarHBondContact O-OG1 2.92Å; T114-L124 CarbonylContact C-O 3.59Å; T114-L124 WeakPolarHBondContact CA-O 3.4Å; T114-R125 HydrophobicContact CG2-CG 3.56Å
115V87.8Confident83.3Confident76 Ų7685.6 Ų85.646%0.46143%0.425SS..EExtended strand (participates in β ladder)trans-119.8134.8173.21790000108.5L124 L126V115-L124 PolarHBondContact N-O 2.91Å; V115-L124 PolarHBondContact O-N 3.1Å; V115-L126 HydrophobicContact CG2-CD1 3.9Å; V115-L126 HydrophobicContact CG2-CD2 4.39Å; V115-L126 HydrophobicContact CG2-CG 4.09Å
116Q83.2Confident83.5Confident93 Ų9381.8 Ų81.844%0.43541%0.411SS..EExtended strand (participates in β ladder)trans-83.1122.2176.4-68.1-66.9-10.200110D123Q116-D123 VanDerWaalsContact CD-OD1 3.32Å; Q116-D123 PolarHBondContact NE2-OD1 3.49Å; Q116-D123 PolarHBondContact NE2-OD2 3.24Å; Q116-D123 PolarHBondContact OE1-OD1 3.41Å; Q116-D123 VanDerWaalsContact OE1-OD1 3.09Å
117D82.3Confident83.9Confident42 Ų4279.1 Ų79.123%0.22540%0.403CS..  trans-75.7119.7170.8174.31.8000109.4M119 T120 G121 R122 L124D117-M119 VanDerWaalsContact C-N 3.28Å; D117-M119 PolarHBondContact O-N 2.65Å; D117-M119 PolarHBondContact OD1-N 2.94Å; D117-T120 VanDerWaalsContact CG-OG1 3.3Å; D117-T120 WeakPolarHBondContact OD2-CB 3.44Å; D117-T120 WeakPolarHBondContact OD2-CG2 3.5Å; D117-T120 PolarHBondContact OD2-OG1 3.33Å; D117-G121 VanDerWaalsContact O-CA 3.24Å; D117-G121 WeakPolarHBondContact O-CA 3.49Å; D117-G121 PolarHBondContact O-N 3.12Å; D117-R122 PolarHBondContact N-O 3.29Å; D117-L124 HydrophobicContact CB-CD1 4.17Å; D117-L124 HydrophobicContact CB-CG 4.46Å
118P74.9Confident84.1Confident93 Ų9378.4 Ų78.460%0.60440%0.398SS*.THydrogen-bonded Turntrans-62.9-32-178.626.4-35.1000113.1L71L71-P118 HydrophobicContact CD1-CB 4Å; L71-P118 WeakPolarHBondContact CD1-O 3.36Å
119M71.1Confident84.4Confident43 Ų4382.1 Ų82.121%0.21241%0.413CS..THydrogen-bonded Turntrans-82.2-40.8-173.3-72.1-177.7122.400112.6D61 N64 G67 D117D61-M119 WeakPolarHBondContact OD1-CE 3.18Å; N64-M119 HydrophobicContact CB-CE 4.11Å; N64-M119 HydrophobicContact CB-SD 4.23Å; N64-M119 WeakPolarHBondContact ND2-CE 3.22Å; G67-M119 WeakPolarHBondContact O-CE 3.41Å; D117-M119 VanDerWaalsContact C-N 3.28Å; D117-M119 PolarHBondContact O-N 2.65Å; D117-M119 PolarHBondContact OD1-N 2.94Å
120T72.4Confident84.6Confident30 Ų3081.6 Ų81.618%0.18440%0.402CS..THydrogen-bonded Turntrans-98.1-14.5-177.967.20000113.2P92 D117 R122P92-T120 WeakPolarHBondContact CD-O 3.43Å; D117-T120 VanDerWaalsContact CG-OG1 3.3Å; D117-T120 WeakPolarHBondContact OD2-CB 3.44Å; D117-T120 WeakPolarHBondContact OD2-CG2 3.5Å; D117-T120 PolarHBondContact OD2-OG1 3.33Å; T120-R122 PolarHBondContact O-N 2.93Å
121G73.3Confident85Confident39 Ų3980.3 Ų80.340%0.40240%0.395SS..  trans62.226.1-175.600000112.6D117D117-G121 VanDerWaalsContact O-CA 3.24Å; D117-G121 WeakPolarHBondContact O-CA 3.49Å; D117-G121 PolarHBondContact O-N 3.12Å
122R78.7Confident85.3Confident152 Ų15278.2 Ų78.257%0.57439%0.393SS*.  trans-103.9141.6-178.8-64179.1-177.7179.33.5110.4D117 T120 L124D117-R122 PolarHBondContact N-O 3.29Å; T120-R122 PolarHBondContact O-N 2.93Å; R122-L124 PolarHBondContact O-N 3.36Å
123D82.9Confident85.7Confident40 Ų4075.1 Ų75.121%0.21439%0.387CS..EExtended strand (participates in β ladder)trans-75.1113170.6-59.946.3000110.7R96 Q116R96-D123 IonicContact CZ-OD1 3.15Å; R96-D123 IonicContact CZ-OD2 2.72Å; R96-D123 IonicContact NE-OD1 3.59Å; R96-D123 IonicContact NH1-OD1 2.7Å; R96-D123 IonicContact NH1-OD2 3.46Å; R96-D123 PolarHBondContact NH1-OD2 3.37Å; R96-D123 VanDerWaalsContact NH2-CG 3.34Å; R96-D123 IonicContact NH2-OD1 3.62Å; R96-D123 PolarHBondContact NH2-OD1 2.64Å; R96-D123 IonicContact NH2-OD2 3.82Å; R96-D123 PolarHBondContact NH2-OD2 3.27Å; Q116-D123 VanDerWaalsContact CD-OD1 3.32Å; Q116-D123 PolarHBondContact NE2-OD1 3.49Å; Q116-D123 PolarHBondContact NE2-OD2 3.24Å; Q116-D123 PolarHBondContact OE1-OD1 3.41Å; Q116-D123 VanDerWaalsContact OE1-OD1 3.09Å
124L84.9Confident85.8Confident97 Ų9775.6 Ų75.651%0.50840%0.396SS..EExtended strand (participates in β ladder)trans-95.6122.9170.9-60.4-180000109.3T114 V115 D117 R122T114-L124 CarbonylContact C-O 3.59Å; T114-L124 WeakPolarHBondContact CA-O 3.4Å; V115-L124 PolarHBondContact N-O 2.91Å; V115-L124 PolarHBondContact O-N 3.1Å; D117-L124 HydrophobicContact CB-CD1 4.17Å; D117-L124 HydrophobicContact CB-CG 4.46Å; R122-L124 PolarHBondContact O-N 3.36Å
125R89.6Confident86Confident170 Ų17080.6 Ų80.664%0.64241%0.411SS*.EExtended strand (participates in β ladder)trans-84.8121.5173.8-70.9175.973.2-167.93109.2D110 T114D110-R125 IonicContact OD2-CZ 3.8Å; D110-R125 IonicContact OD2-NH2 2.67Å; D110-R125 PolarHBondContact OD2-NH2 3.08Å; T114-R125 HydrophobicContact CG2-CG 3.56Å
126L90.4Very high86.2Confident60 Ų6080.2 Ų80.231%0.31440%0.401SS..PPolyproline II helixtrans-69.1141.6174.9-62.5178000110.9R113 V115 Q130 V131R113-L126 WeakPolarHBondContact O-CB 3.44Å; R113-L126 WeakPolarHBondContact O-CG 3.4Å; R113-L126 PolarHBondContact O-N 2.9Å; V115-L126 HydrophobicContact CG2-CD1 3.9Å; V115-L126 HydrophobicContact CG2-CD2 4.39Å; V115-L126 HydrophobicContact CG2-CG 4.09Å; L126-Q130 HydrophobicContact CB-CB 4.47Å; L126-V131 HydrophobicContact CB-CG2 3.81Å; L126-V131 HydrophobicContact CD1-CG2 4.41Å
127T94Very high86.7Confident71 Ų7180.9 Ų80.944%0.43641%0.407SS..PPolyproline II helixtrans-73.2158.3174.1670000111E129 Q130 V131T127-E129 PolarHBondContact O-N 3.49Å; T127-Q130 PolarHBondContact O-N 2.98Å; T127-Q130 VanDerWaalsContact O-N 3.16Å; T127-Q130 VanDerWaalsContact OG1-CD 3.28Å; T127-Q130 VanDerWaalsContact OG1-CG 3.23Å; T127-Q130 WeakPolarHBondContact OG1-CG 3.43Å; T127-Q130 PolarHBondContact OG1-N 3.15Å; T127-Q130 PolarHBondContact OG1-OE1 3.36Å; T127-V131 WeakPolarHBondContact O-CG2 3.33Å; T127-V131 PolarHBondContact O-N 3.07Å
128D91.9Very high87.3Confident103 Ų10386.5 Ų86.555%0.55143%0.432SS*.Hα-helixtrans-59.6-33179.3-72.6-43.5000112.4R113 A132R113-D128 IonicContact CZ-OD1 3.31Å; R113-D128 IonicContact NH1-OD1 3.76Å; R113-D128 PolarHBondContact NH1-OD1 3.09Å; R113-D128 VanDerWaalsContact NH1-OD1 3.15Å; R113-D128 IonicContact NH2-OD1 3.29Å; R113-D128 PolarHBondContact NH2-OD1 3.37Å; D128-A132 VanDerWaalsContact O-CB 3.29Å; D128-A132 WeakPolarHBondContact O-CB 3.38Å; D128-A132 PolarHBondContact O-N 2.92Å
129E91.9Very high88.2Confident165 Ų16585.3 Ų85.377%0.77143%0.426SS*.Hα-helixtrans-67.1-45176.1-64.1179.1177.100111.8T127 A132 L133T127-E129 PolarHBondContact O-N 3.49Å; E129-A132 PolarHBondContact O-N 3.31Å; E129-L133 WeakPolarHBondContact O-CB 3.38Å; E129-L133 PolarHBondContact O-N 2.92Å
130Q91.5Very high89.1Confident91 Ų9186.7 Ų86.743%0.42545%0.451SS..Hα-helixtrans-63.1-43.2176.1-71.1166.9-11.900111.2L126 T127 A132 L133 V134L126-Q130 HydrophobicContact CB-CB 4.47Å; T127-Q130 PolarHBondContact O-N 2.98Å; T127-Q130 VanDerWaalsContact O-N 3.16Å; T127-Q130 VanDerWaalsContact OG1-CD 3.28Å; T127-Q130 VanDerWaalsContact OG1-CG 3.23Å; T127-Q130 WeakPolarHBondContact OG1-CG 3.43Å; T127-Q130 PolarHBondContact OG1-N 3.15Å; T127-Q130 PolarHBondContact OG1-OE1 3.36Å; Q130-A132 PolarHBondContact O-N 2.9Å; Q130-L133 WeakPolarHBondContact O-CB 3.49Å; Q130-L133 PolarHBondContact O-N 3.38Å; Q130-V134 WeakPolarHBondContact O-CG2 3.37Å; Q130-V134 PolarHBondContact O-N 3.42Å
131V93.3Very high90Very high14 Ų1490.8 Ų90.89%0.08547%0.468CS..Hα-helixtrans-63.5-42.2175.7171.80000111.2W112 R113 L126 T127 L133 V134 R135W112-V131 HydrophobicContact CH2-CG1 4.02Å; W112-V131 HydrophobicContact CZ3-CG1 3.64Å; R113-V131 HydrophobicContact CG-CG2 4.39Å; L126-V131 HydrophobicContact CB-CG2 3.81Å; L126-V131 HydrophobicContact CD1-CG2 4.41Å; T127-V131 WeakPolarHBondContact O-CG2 3.33Å; T127-V131 PolarHBondContact O-N 3.07Å; V131-L133 VanDerWaalsContact C-N 3.33Å; V131-V134 PolarHBondContact O-N 2.99Å; V131-R135 WeakPolarHBondContact O-CG 3.17Å; V131-R135 PolarHBondContact O-N 3.05Å
132A92.4Very high90.8Very high31 Ų3193.9 Ų93.926%0.25647%0.47SS..Hα-helixtrans-63.1-40.7176.400000111.6D128 E129 Q130 R135 R136D128-A132 VanDerWaalsContact O-CB 3.29Å; D128-A132 WeakPolarHBondContact O-CB 3.38Å; D128-A132 PolarHBondContact O-N 2.92Å; E129-A132 PolarHBondContact O-N 3.31Å; Q130-A132 PolarHBondContact O-N 2.9Å; A132-R135 PolarHBondContact O-N 3.2Å; A132-R136 WeakPolarHBondContact O-CG 3.32Å; A132-R136 PolarHBondContact O-N 3.44Å
133L93.1Very high91.2Very high71 Ų7188 Ų8837%0.37246%0.458SS..Hα-helixtrans-60-49.7175178.964.2000111.6E129 Q130 V131 R135 R136 L137 G143E129-L133 WeakPolarHBondContact O-CB 3.38Å; E129-L133 PolarHBondContact O-N 2.92Å; Q130-L133 WeakPolarHBondContact O-CB 3.49Å; Q130-L133 PolarHBondContact O-N 3.38Å; V131-L133 VanDerWaalsContact C-N 3.33Å; L133-R135 VanDerWaalsContact C-N 3.31Å; L133-R135 PolarHBondContact O-N 3.01Å; L133-R136 WeakPolarHBondContact O-CB 3.24Å; L133-R136 PolarHBondContact O-N 2.86Å; L133-R136 VanDerWaalsContact O-N 3.15Å; L133-L137 HydrophobicContact CD1-CD1 4.4Å; L133-L137 HydrophobicContact CD1-CG 4.43Å; L133-L137 HydrophobicContact CG-CD1 4.18Å; L133-L137 WeakPolarHBondContact O-CG 3.4Å; L133-L137 PolarHBondContact O-N 2.62Å; L133-G143 VanDerWaalsContact CD1-CA 3.47Å; L133-G143 WeakPolarHBondContact CD1-O 3.45Å
134V92.8Very high91.5Very high69 Ų6991.2 Ų91.242%0.41848%0.475SS..Hα-helixtrans-58.6-43.4177.9172.30000111.4Q130 V131 R136 L137 Q138Q130-V134 WeakPolarHBondContact O-CG2 3.37Å; Q130-V134 PolarHBondContact O-N 3.42Å; V131-V134 PolarHBondContact O-N 2.99Å; V134-R136 PolarHBondContact O-N 2.93Å; V134-L137 PolarHBondContact O-N 3.05Å; V134-Q138 HydrophobicContact CG1-CG 4.47Å; V134-Q138 WeakPolarHBondContact O-CG 3.05Å; V134-Q138 PolarHBondContact O-N 2.85Å
135R93.3Very high91.6Very high143 Ų14392 Ų9254%0.5448%0.484SS..Hα-helixtrans-63.3-40.1176.9-72.2176.6179.7-173.40.3112.5W112 V131 A132 L133 S139W112-R135 VanDerWaalsContact CZ3-NH2 3.29Å; V131-R135 WeakPolarHBondContact O-CG 3.17Å; V131-R135 PolarHBondContact O-N 3.05Å; A132-R135 PolarHBondContact O-N 3.2Å; L133-R135 VanDerWaalsContact C-N 3.31Å; L133-R135 PolarHBondContact O-N 3.01Å; R135-S139 WeakPolarHBondContact O-CB 3.2Å; R135-S139 PolarHBondContact O-N 2.7Å; R135-S139 VanDerWaalsContact O-N 3.08Å; R135-S139 PolarHBondContact O-OG 3.36Å
136R92.9Very high91.6Very high67 Ų6786.9 Ų86.925%0.25348%0.483SS..Hα-helixtrans-62.6-46.3173.9-72.7-179.4-1571466.2111.4A132 L133 V134 Q138 S139 G140 Q141 F142 G143A132-R136 WeakPolarHBondContact O-CG 3.32Å; A132-R136 PolarHBondContact O-N 3.44Å; L133-R136 WeakPolarHBondContact O-CB 3.24Å; L133-R136 PolarHBondContact O-N 2.86Å; L133-R136 VanDerWaalsContact O-N 3.15Å; V134-R136 PolarHBondContact O-N 2.93Å; R136-Q138 PolarHBondContact O-N 3.23Å; R136-S139 WeakPolarHBondContact CA-OG 3.41Å; R136-S139 CarbonylContact O-C 3.48Å; R136-S139 PolarHBondContact O-N 3.31Å; R136-S139 VanDerWaalsContact O-N 3.16Å; R136-S139 PolarHBondContact O-OG 3.03Å; R136-G140 PolarHBondContact O-N 2.85Å; R136-G140 VanDerWaalsContact O-N 3.16Å; R136-Q141 HydrophobicContact CB-CB 4.07Å; R136-Q141 HydrophobicContact CG-CB 4.4Å; R136-Q141 PolarHBondContact O-N 2.81Å; R136-F142 WeakPolarHBondContact CD-O 3.22Å; R136-G143 PolarHBondContact NH1-O 3.34Å
137L93.3Very high91.7Very high107 Ų10788.9 Ų88.956%0.5649%0.49SS*.Hα-helixtrans-61.4-44.3177.9-68.7173.1000112.1L133 V134 S139 G140L133-L137 HydrophobicContact CD1-CD1 4.4Å; L133-L137 HydrophobicContact CD1-CG 4.43Å; L133-L137 HydrophobicContact CG-CD1 4.18Å; L133-L137 WeakPolarHBondContact O-CG 3.4Å; L133-L137 PolarHBondContact O-N 2.62Å; V134-L137 PolarHBondContact O-N 3.05Å; L137-S139 VanDerWaalsContact C-N 3.27Å; L137-S139 PolarHBondContact O-N 3.02Å; L137-G140 PolarHBondContact O-N 2.54Å; L137-G140 VanDerWaalsContact O-N 3.09Å
138Q94.4Very high91.5Very high160 Ų16089 Ų8975%0.74849%0.488SS*.Hα-helixtrans-62.3-34.1176-75.6-178.5-900113V134 R136 G140V134-Q138 HydrophobicContact CG1-CG 4.47Å; V134-Q138 WeakPolarHBondContact O-CG 3.05Å; V134-Q138 PolarHBondContact O-N 2.85Å; R136-Q138 PolarHBondContact O-N 3.23Å; Q138-G140 VanDerWaalsContact C-N 3.27Å; Q138-G140 PolarHBondContact O-N 3.41Å
139S93.4Very high91.4Very high69 Ų6987 Ų8748%0.48348%0.481SS..THydrogen-bonded Turntrans-83.20.8177.256.80000113.9R135 R136 L137 Q141R135-S139 WeakPolarHBondContact O-CB 3.2Å; R135-S139 PolarHBondContact O-N 2.7Å; R135-S139 VanDerWaalsContact O-N 3.08Å; R135-S139 PolarHBondContact O-OG 3.36Å; R136-S139 WeakPolarHBondContact CA-OG 3.41Å; R136-S139 CarbonylContact O-C 3.48Å; R136-S139 PolarHBondContact O-N 3.31Å; R136-S139 VanDerWaalsContact O-N 3.16Å; R136-S139 PolarHBondContact O-OG 3.03Å; L137-S139 VanDerWaalsContact C-N 3.27Å; L137-S139 PolarHBondContact O-N 3.02Å; S139-Q141 PolarHBondContact O-N 3.45Å; S139-Q141 WeakPolarHBondContact OG-CG 3.16Å
140G91.6Very high91.4Very high71 Ų7188.7 Ų88.773%0.73248%0.481SS*.THydrogen-bonded Turntrans69.619.3-176.300000113.9R136 L137 Q138R136-G140 PolarHBondContact O-N 2.85Å; R136-G140 VanDerWaalsContact O-N 3.16Å; L137-G140 PolarHBondContact O-N 2.54Å; L137-G140 VanDerWaalsContact O-N 3.09Å; Q138-G140 VanDerWaalsContact C-N 3.27Å; Q138-G140 PolarHBondContact O-N 3.41Å
141Q89.6Confident91.4Very high116 Ų11691 Ų9154%0.54249%0.492SS..  trans-84.6163.6173.3-63.71792.600110.7R136 S139R136-Q141 HydrophobicContact CB-CB 4.07Å; R136-Q141 HydrophobicContact CG-CB 4.4Å; R136-Q141 PolarHBondContact O-N 2.81Å; S139-Q141 PolarHBondContact O-N 3.45Å; S139-Q141 WeakPolarHBondContact OG-CG 3.16Å
142F90.9Very high91.4Very high104 Ų10495.2 Ų95.246%0.45652%0.519SS..  trans-66.1143.5177.5-54.8-76.9000111.3R136 F147 P149R136-F142 WeakPolarHBondContact CD-O 3.22Å; F142-F147 HydrophobicContact CB-CB 4.04Å; F142-F147 HydrophobicContact CB-CD1 3.96Å; F142-F147 HydrophobicContact CB-CG 4.24Å; F142-F147 AromaticContact CD1-CD1 3.33Å; F142-F147 HydrophobicContact CD1-CD1 3.33Å; F142-F147 AromaticContact CD1-CE1 3.45Å; F142-F147 HydrophobicContact CD1-CE1 3.45Å; F142-F147 VanDerWaalsContact CD1-CE1 3.45Å; F142-F147 HydrophobicContact CD1-CG 4.16Å; F142-F147 HydrophobicContact CD1-CZ 4.37Å; F142-F147 AromaticContact CD2-CD1 3.65Å; F142-F147 HydrophobicContact CD2-CD1 3.65Å; F142-F147 HydrophobicContact CD2-CE1 4.23Å; F142-F147 AromaticContact CE1-CD1 3.67Å; F142-F147 HydrophobicContact CE1-CD1 3.67Å; F142-F147 AromaticContact CE1-CE1 3.31Å; F142-F147 HydrophobicContact CE1-CE1 3.31Å; F142-F147 HydrophobicContact CE1-CZ 4.24Å; F142-F147 AromaticContact CE2-CD1 3.98Å; F142-F147 HydrophobicContact CE2-CD1 3.98Å; F142-F147 HydrophobicContact CE2-CE1 4.13Å; F142-F147 HydrophobicContact CG-CB 4.34Å; F142-F147 AromaticContact CG-CD1 3.32Å; F142-F147 HydrophobicContact CG-CD1 3.32Å; F142-F147 AromaticContact CG-CE1 3.92Å; F142-F147 HydrophobicContact CG-CE1 3.92Å; F142-F147 HydrophobicContact CG-CG 4.08Å; F142-F147 AromaticContact CZ-CD1 3.98Å; F142-F147 HydrophobicContact CZ-CD1 3.98Å; F142-F147 AromaticContact CZ-CE1 3.68Å; F142-F147 HydrophobicContact CZ-CE1 3.68Å; F142-P149 HydrophobicContact CE2-CB 3.56Å; F142-P149 HydrophobicContact CE2-CG 3.89Å; F142-P149 HydrophobicContact CZ-CB 3.75Å
143G88Confident91.3Very high30 Ų3098.7 Ų98.731%0.30955%0.549SS..SBendtrans-68.1-42.1179.400000112L133 R136L133-G143 VanDerWaalsContact CD1-CA 3.47Å; L133-G143 WeakPolarHBondContact CD1-O 3.45Å; R136-G143 PolarHBondContact NH1-O 3.34Å
144D88.8Confident91.2Very high107 Ų10799.6 Ų99.657%0.57256%0.557SS**SBendtrans-77.5136.7176.1-175.916.9000111.7G146 F147D144-G146 VanDerWaalsContact C-N 3.3Å; D144-G146 PolarHBondContact OD1-N 3.13Å; D144-F147 HydrophobicContact CB-CB 4.23Å
145V87.1Confident91.1Very high114 Ų114100.6 Ų100.669%0.69156%0.56SS**THydrogen-bonded Turntrans-68.9-33.4175.2-170.60000110.7F147V145-F147 VanDerWaalsContact C-N 3.33Å
146G89.8Confident90.9Very high62 Ų62102.5 Ų102.564%0.63957%0.572SS**THydrogen-bonded Turntrans-83.3-6.3-175.300000114.5D144 N148D144-G146 VanDerWaalsContact C-N 3.3Å; D144-G146 PolarHBondContact OD1-N 3.13Å; G146-N148 PolarHBondContact O-N 2.82Å
147F90.8Very high90.6Very high102 Ų102106.7 Ų106.745%0.44759%0.592SS.*  trans-71.3124.5-172.8-172.6-95.7000111.9F142 D144 V145 P149F142-F147 HydrophobicContact CB-CB 4.04Å; F142-F147 HydrophobicContact CB-CD1 3.96Å; F142-F147 HydrophobicContact CB-CG 4.24Å; F142-F147 AromaticContact CD1-CD1 3.33Å; F142-F147 HydrophobicContact CD1-CD1 3.33Å; F142-F147 AromaticContact CD1-CE1 3.45Å; F142-F147 HydrophobicContact CD1-CE1 3.45Å; F142-F147 VanDerWaalsContact CD1-CE1 3.45Å; F142-F147 HydrophobicContact CD1-CG 4.16Å; F142-F147 HydrophobicContact CD1-CZ 4.37Å; F142-F147 AromaticContact CD2-CD1 3.65Å; F142-F147 HydrophobicContact CD2-CD1 3.65Å; F142-F147 HydrophobicContact CD2-CE1 4.23Å; F142-F147 AromaticContact CE1-CD1 3.67Å; F142-F147 HydrophobicContact CE1-CD1 3.67Å; F142-F147 AromaticContact CE1-CE1 3.31Å; F142-F147 HydrophobicContact CE1-CE1 3.31Å; F142-F147 HydrophobicContact CE1-CZ 4.24Å; F142-F147 AromaticContact CE2-CD1 3.98Å; F142-F147 HydrophobicContact CE2-CD1 3.98Å; F142-F147 HydrophobicContact CE2-CE1 4.13Å; F142-F147 HydrophobicContact CG-CB 4.34Å; F142-F147 AromaticContact CG-CD1 3.32Å; F142-F147 HydrophobicContact CG-CD1 3.32Å; F142-F147 AromaticContact CG-CE1 3.92Å; F142-F147 HydrophobicContact CG-CE1 3.92Å; F142-F147 HydrophobicContact CG-CG 4.08Å; F142-F147 AromaticContact CZ-CD1 3.98Å; F142-F147 HydrophobicContact CZ-CD1 3.98Å; F142-F147 AromaticContact CZ-CE1 3.68Å; F142-F147 HydrophobicContact CZ-CE1 3.68Å; D144-F147 HydrophobicContact CB-CB 4.23Å; V145-F147 VanDerWaalsContact C-N 3.33Å; F147-P149 HydrophobicContact CE1-CB 4.48Å; F147-P149 WeakPolarHBondContact O-CD 3.22Å
148N90.3Very high90.4Very high74 Ų74105.3 Ų105.340%0.39659%0.592SS.*  trans-96.8109175-179.110.9000110.5G146 Y150 E151G146-N148 PolarHBondContact O-N 2.82Å; N148-Y150 PolarHBondContact O-N 3.1Å; N148-Y150 PolarHBondContact OD1-N 3.41Å; N148-E151 HydrophobicContact CB-CG 3.87Å
149P89.9Confident90.1Very high61 Ų61100.6 Ų100.640%0.39659%0.586SS.*THydrogen-bonded Turntrans-65-20.7177.820.5-29.5000114.6F142 F147F142-P149 HydrophobicContact CE2-CB 3.56Å; F142-P149 HydrophobicContact CE2-CG 3.89Å; F142-P149 HydrophobicContact CZ-CB 3.75Å; F147-P149 HydrophobicContact CE1-CB 4.48Å; F147-P149 WeakPolarHBondContact O-CD 3.22Å
150Y92.6Very high90Very high199 Ų199103.9 Ų103.978%0.7860%0.598SS**THydrogen-bonded Turntrans-121.554.1-174.1-55.6-67.4000109.7N148N148-Y150 PolarHBondContact O-N 3.1Å; N148-Y150 PolarHBondContact OD1-N 3.41Å
151E91.7Very high89.9Confident139 Ų139106.7 Ų106.765%0.6560%0.601SS**  trans-61.2136.9168.5-74.8-179179.200110.1N148 A153N148-E151 HydrophobicContact CB-CG 3.87Å; E151-A153 PolarHBondContact O-N 2.86Å
152P92.9Very high90Very high103 Ų103106.9 Ų106.967%0.66960%0.603SS**  trans-61.6134.3177.126.3-33000109.2V154P152-V154 PolarHBondContact O-N 2.83Å
153A89.8Confident90.1Very high105 Ų105109.3 Ų109.387%0.86862%0.62SS**  trans-62.6105.4174.700000108.9E151 D155E151-A153 PolarHBondContact O-N 2.86Å; A153-D155 PolarHBondContact O-N 2.76Å
154V91.1Very high90.4Very high89 Ų89115 Ų11554%0.53964%0.638SS.*  trans-80121.9176.7-179.90000108.1P152 F156P152-V154 PolarHBondContact O-N 2.83Å; V154-F156 HydrophobicContact CB-CD2 4.21Å; V154-F156 HydrophobicContact CB-CE1 4.19Å; V154-F156 HydrophobicContact CB-CE2 3.61Å; V154-F156 HydrophobicContact CB-CZ 3.59Å; V154-F156 HydrophobicContact CG1-CD1 3.91Å; V154-F156 HydrophobicContact CG1-CD2 4.15Å; V154-F156 HydrophobicContact CG1-CE1 3.56Å; V154-F156 HydrophobicContact CG1-CE2 3.82Å; V154-F156 HydrophobicContact CG1-CG 4.2Å; V154-F156 HydrophobicContact CG1-CZ 3.51Å; V154-F156 HydrophobicContact CG2-CZ 4.39Å; V154-F156 WeakPolarHBondContact O-CD2 3.48Å; V154-F156 WeakPolarHBondContact O-CE2 3.15Å; V154-F156 PolarHBondContact O-N 3.15Å; V154-F156 VanDerWaalsContact O-N 3.12Å
155D90Very high90.6Very high91 Ų91114.7 Ų114.749%0.48764%0.641SS.*  trans-85.881.2-179.7-173.310.2000111.2A153 F157 S158A153-D155 PolarHBondContact O-N 2.76Å; D155-F157 PolarHBondContact O-N 2.74Å; D155-F157 PolarHBondContact OD1-N 3.23Å; D155-S158 VanDerWaalsContact CG-CB 3.45Å; D155-S158 WeakPolarHBondContact OD1-CA 3.18Å; D155-S158 VanDerWaalsContact OD1-CB 3.25Å; D155-S158 WeakPolarHBondContact OD1-CB 3.44Å; D155-S158 PolarHBondContact OD1-N 3.02Å; D155-S158 PolarHBondContact OD1-OG 3.16Å; D155-S158 WeakPolarHBondContact OD2-CA 3.49Å; D155-S158 WeakPolarHBondContact OD2-CB 3.48Å; D155-S158 PolarHBondContact OD2-OG 2.93Å
156F89.7Confident90.9Very high182 Ų182115.3 Ų115.380%0.79865%0.645SS**THydrogen-bonded Turntrans-69.6-20.1-178.7-60.4-80.2000113.8V154V154-F156 HydrophobicContact CB-CD2 4.21Å; V154-F156 HydrophobicContact CB-CE1 4.19Å; V154-F156 HydrophobicContact CB-CE2 3.61Å; V154-F156 HydrophobicContact CB-CZ 3.59Å; V154-F156 HydrophobicContact CG1-CD1 3.91Å; V154-F156 HydrophobicContact CG1-CD2 4.15Å; V154-F156 HydrophobicContact CG1-CE1 3.56Å; V154-F156 HydrophobicContact CG1-CE2 3.82Å; V154-F156 HydrophobicContact CG1-CG 4.2Å; V154-F156 HydrophobicContact CG1-CZ 3.51Å; V154-F156 HydrophobicContact CG2-CZ 4.39Å; V154-F156 WeakPolarHBondContact O-CD2 3.48Å; V154-F156 WeakPolarHBondContact O-CE2 3.15Å; V154-F156 PolarHBondContact O-N 3.15Å; V154-F156 VanDerWaalsContact O-N 3.12Å
157F87.1Confident91.2Very high155 Ų155117.2 Ų117.268%0.6864%0.644SS**THydrogen-bonded Turntrans-117.5-36.3-169-174.4-101000113.3D155 G159D155-F157 PolarHBondContact O-N 2.74Å; D155-F157 PolarHBondContact OD1-N 3.23Å; F157-G159 VanDerWaalsContact C-N 3.29Å; F157-G159 PolarHBondContact O-N 3.31Å
158S88.8Confident91.4Very high79 Ų79120 Ų12055%0.55266%0.664SS**THydrogen-bonded Turntrans-83-2-177.9-6.20000114.3D155 D160D155-S158 VanDerWaalsContact CG-CB 3.45Å; D155-S158 WeakPolarHBondContact OD1-CA 3.18Å; D155-S158 VanDerWaalsContact OD1-CB 3.25Å; D155-S158 WeakPolarHBondContact OD1-CB 3.44Å; D155-S158 PolarHBondContact OD1-N 3.02Å; D155-S158 PolarHBondContact OD1-OG 3.16Å; D155-S158 WeakPolarHBondContact OD2-CA 3.49Å; D155-S158 WeakPolarHBondContact OD2-CB 3.48Å; D155-S158 PolarHBondContact OD2-OG 2.93Å; S158-D160 PolarHBondContact O-N 3.47Å
159G88.9Confident91.6Very high60 Ų60126.2 Ų126.262%0.61968%0.682SS**THydrogen-bonded Turntrans-60.3-32.4167.500000112.8F157F157-G159 VanDerWaalsContact C-N 3.29Å; F157-G159 PolarHBondContact O-N 3.31Å
160D89.9Confident91.8Very high138 Ų138128.4 Ų128.474%0.73870%0.696SS**SBendtrans-96.7111.3-178.7-68.3-27.8000111.2S158 M162S158-D160 PolarHBondContact O-N 3.47Å; D160-M162 PolarHBondContact O-N 3.41Å
161V90.3Very high91.9Very high131 Ų131122.3 Ų122.379%0.79469%0.687SS**  trans-76.2120.5179-177.70000110.5I163V161-I163 PolarHBondContact O-N 2.9Å
162M91.4Very high92Very high120 Ų120119 Ų11959%0.59167%0.674SS**  trans-74.1119.8174.8-66.7-172.5-7400111.4D160 V166D160-M162 PolarHBondContact O-N 3.41Å; M162-V166 HydrophobicContact CE-CG2 4.14Å
163I94.3Very high92.1Very high155 Ų155122.3 Ų122.380%0.79568%0.678SS**SBendtrans-74.1-34.5177.3-59.7168.5000111.3V161V161-I163 PolarHBondContact O-N 2.9Å
164H93.1Very high92.3Very high150 Ų150126.4 Ų126.469%0.69467%0.671SS**SBendtrans-99.3149.7-177.5-62.8-52.8000111.4
165P94.3Very high92.4Very high99 Ų99126.6 Ų126.664%0.64368%0.676SS**  trans-64.2151.217030.1-35.4000110T167P165-T167 PolarHBondContact O-N 3.27Å
166V93Very high92.7Very high127 Ų127130.1 Ų130.177%0.7769%0.687SS**SBendtrans-57.8-33.2178.6-179.20000112M162M162-V166 HydrophobicContact CE-CG2 4.14Å
167T95.4Very high92.9Very high102 Ų102126.1 Ų126.163%0.62667%0.673SS**  trans-125.7129.1-179.161.90000111.9P165 R169P165-T167 PolarHBondContact O-N 3.27Å; T167-R169 VanDerWaalsContact C-N 3.3Å; T167-R169 PolarHBondContact O-N 3.08Å
168N94.6Very high93.3Very high161 Ų161124.2 Ų124.286%0.86168%0.676SS**  trans-9253.4172.4-169.117.2000111.8
169R94.9Very high93.7Very high204 Ų204122.5 Ų122.577%0.7766%0.664SS**PPolyproline II helixtrans-77.8126175.6-168.2177.3-178.1125.3-0.2108.5T167T167-R169 VanDerWaalsContact C-N 3.3Å; T167-R169 PolarHBondContact O-N 3.08Å
170P95.1Very high93.9Very high107 Ų107125.9 Ų125.970%0.69567%0.668SS**PPolyproline II helixtrans-61.7143.5177.726.2-34.1000110.2
171A93.3Very high94.2Very high72 Ų72123.6 Ų123.660%0.59566%0.658SS**PPolyproline II helixtrans-67.7141.3179.300000111.7F176A171-F176 HydrophobicContact CB-CE2 3.7Å; A171-F176 HydrophobicContact CB-CZ 4.02Å
172D95.3Very high94.5Very high69 Ų69123.3 Ų123.337%0.36965%0.648SS.*PPolyproline II helixtrans-75.7146.9177.1-68.9-31.7000111.7R174 S175D172-R174 HydrophobicContact CB-CG 3.83Å; D172-R174 PolarHBondContact O-N 3.11Å; D172-R174 IonicContact OD2-CZ 3.3Å; D172-R174 VanDerWaalsContact OD2-CZ 3.3Å; D172-R174 IonicContact OD2-NE 3.03Å; D172-R174 PolarHBondContact OD2-NE 3.06Å; D172-R174 IonicContact OD2-NH2 2.75Å; D172-R174 PolarHBondContact OD2-NH2 3.3Å; D172-S175 PolarHBondContact O-N 3.07Å; D172-S175 VanDerWaalsContact O-N 3.15Å
173K95.1Very high94.7Very high172 Ų172124.7 Ų124.775%0.74865%0.651SS**G310 helixtrans-59.3-30.8177.5-67.4-176.4178.3-178.50113.8S175 F176 I177K173-S175 PolarHBondContact O-N 2.85Å; K173-F176 PolarHBondContact O-N 3.16Å; K173-F176 VanDerWaalsContact O-N 3.14Å; K173-I177 HydrophobicContact CB-CD1 4.2Å; K173-I177 WeakPolarHBondContact O-CG1 3.44Å; K173-I177 PolarHBondContact O-N 2.73Å; K173-I177 VanDerWaalsContact O-N 3.15Å
174R93.5Very high94.9Very high192 Ų192122.4 Ų122.473%0.72564%0.637SS**G310 helixtrans-64.3-20.3179.365.5-175.5166.1167.9-1.7114D172 F176D172-R174 HydrophobicContact CB-CG 3.83Å; D172-R174 PolarHBondContact O-N 3.11Å; D172-R174 IonicContact OD2-CZ 3.3Å; D172-R174 VanDerWaalsContact OD2-CZ 3.3Å; D172-R174 IonicContact OD2-NE 3.03Å; D172-R174 PolarHBondContact OD2-NE 3.06Å; D172-R174 IonicContact OD2-NH2 2.75Å; D172-R174 PolarHBondContact OD2-NH2 3.3Å; R174-F176 VanDerWaalsContact C-N 3.29Å
175S93.2Very high95.1Very high92 Ų92121.4 Ų121.464%0.64363%0.631SS**G310 helixtrans-75.4-22.7176.5-56.30000112.2D172 K173D172-S175 PolarHBondContact O-N 3.07Å; D172-S175 VanDerWaalsContact O-N 3.15Å; K173-S175 PolarHBondContact O-N 2.85Å
176F95.1Very high95.2Very high166 Ų166120.2 Ų120.273%0.72862%0.622SS**THydrogen-bonded Turntrans-103.8-22.1-178.1-58.7-75.9000113.3A171 K173 R174A171-F176 HydrophobicContact CB-CE2 3.7Å; A171-F176 HydrophobicContact CB-CZ 4.02Å; K173-F176 PolarHBondContact O-N 3.16Å; K173-F176 VanDerWaalsContact O-N 3.14Å; R174-F176 VanDerWaalsContact C-N 3.29Å
177I95.4Very high95.4Very high98 Ų98117.4 Ų117.450%0.50361%0.607SS.*SBendtrans-97.6145.1-179.3-60.9172.5000108.6K173K173-I177 HydrophobicContact CB-CD1 4.2Å; K173-I177 WeakPolarHBondContact O-CG1 3.44Å; K173-I177 PolarHBondContact O-N 2.73Å; K173-I177 VanDerWaalsContact O-N 3.15Å
178P95.4Very high95.4Very high114 Ų114120.3 Ų120.374%0.7461%0.607SS**PPolyproline II helixtrans-52.3148171.522.3-35.6000112L180P178-L180 PolarHBondContact O-N 3.29Å
179S96Very high95.4Very high44 Ų44117.5 Ų117.531%0.30859%0.59SS.*PPolyproline II helixtrans-70.8133.6-166.3890000112.6V181 E182 K183S179-V181 VanDerWaalsContact C-N 3.31Å; S179-E182 WeakPolarHBondContact CB-OE2 3.43Å; S179-E182 WeakPolarHBondContact OG-CB 3.35Å; S179-E182 WeakPolarHBondContact OG-CG 3.37Å; S179-E182 PolarHBondContact OG-N 2.83Å; S179-E182 VanDerWaalsContact OG-N 3.17Å; S179-E182 PolarHBondContact OG-OE2 3.32Å; S179-K183 PolarHBondContact O-N 2.99Å
180L93.4Very high95.5Very high131 Ų131111.9 Ų111.969%0.68658%0.578SS**Hα-helixtrans-70.5-30176.7-69.3174.4000112.2P178 K183 E184P178-L180 PolarHBondContact O-N 3.29Å; L180-K183 HydrophobicContact CD2-CD 4.46Å; L180-K183 WeakPolarHBondContact O-CB 3.38Å; L180-K183 PolarHBondContact O-N 3.31Å; L180-E184 PolarHBondContact O-N 2.66Å
181V95.6Very high95.5Very high90 Ų90111.3 Ų111.355%0.54557%0.566SS.*Hα-helixtrans-68.4-41.6178.7178.60000110.7S179 K183 E184 K185S179-V181 VanDerWaalsContact C-N 3.31Å; V181-K183 VanDerWaalsContact C-N 3.34Å; V181-E184 PolarHBondContact O-N 3.22Å; V181-K185 HydrophobicContact CG1-CD 4.42Å; V181-K185 WeakPolarHBondContact O-CG 3.38Å; V181-K185 PolarHBondContact O-N 2.77Å
182E96.3Very high95.7Very high124 Ų124108.4 Ų108.458%0.57954%0.542SS*.Hα-helixtrans-65.4-41.4173.5-70.7162.2165.300110.9S179 E184 K185 V186S179-E182 WeakPolarHBondContact CB-OE2 3.43Å; S179-E182 WeakPolarHBondContact OG-CB 3.35Å; S179-E182 WeakPolarHBondContact OG-CG 3.37Å; S179-E182 PolarHBondContact OG-N 2.83Å; S179-E182 VanDerWaalsContact OG-N 3.17Å; S179-E182 PolarHBondContact OG-OE2 3.32Å; E182-E184 VanDerWaalsContact C-N 3.27Å; E182-E184 PolarHBondContact O-N 3.38Å; E182-K185 PolarHBondContact O-N 2.85Å; E182-V186 WeakPolarHBondContact O-CB 3.45Å; E182-V186 VanDerWaalsContact O-CG2 3.27Å; E182-V186 WeakPolarHBondContact O-CG2 3.42Å; E182-V186 PolarHBondContact O-N 2.95Å
183K96.9Very high95.6Very high149 Ų149108.7 Ų108.765%0.64854%0.543SS*.Hα-helixtrans-55.7-43.5174.3-179.1-176.2175.2-177.20111.8S179 L180 V181 S187S179-K183 PolarHBondContact O-N 2.99Å; L180-K183 HydrophobicContact CD2-CD 4.46Å; L180-K183 WeakPolarHBondContact O-CB 3.38Å; L180-K183 PolarHBondContact O-N 3.31Å; V181-K183 VanDerWaalsContact C-N 3.34Å; K183-S187 WeakPolarHBondContact O-CB 3.43Å; K183-S187 PolarHBondContact O-N 2.97Å; K183-S187 PolarHBondContact O-OG 3.49Å
184E97.3Very high95.6Very high107 Ų107108.8 Ų108.850%0.554%0.543SS..Hα-helixtrans-68.6-40.1177.8-161-163142.800112.5L180 V181 E182 S187 R188L180-E184 PolarHBondContact O-N 2.66Å; V181-E184 PolarHBondContact O-N 3.22Å; E182-E184 VanDerWaalsContact C-N 3.27Å; E182-E184 PolarHBondContact O-N 3.38Å; E184-S187 WeakPolarHBondContact CA-OG 3.44Å; E184-S187 PolarHBondContact O-N 3.29Å; E184-S187 PolarHBondContact O-OG 2.88Å; E184-R188 WeakPolarHBondContact O-CB 3.37Å; E184-R188 PolarHBondContact O-N 3.28Å; E184-R188 IonicContact OE1-NH2 2.88Å; E184-R188 PolarHBondContact OE1-NH2 3.09Å
185K97.5Very high95.7Very high129 Ų129104.4 Ų104.456%0.56153%0.532SS*.Hα-helixtrans-61.9-45.5174.4-73.1174.9179.1179.30111.2V181 E182 R188 M189V181-K185 HydrophobicContact CG1-CD 4.42Å; V181-K185 WeakPolarHBondContact O-CG 3.38Å; V181-K185 PolarHBondContact O-N 2.77Å; E182-K185 PolarHBondContact O-N 2.85Å; K185-R188 PolarHBondContact O-N 2.91Å; K185-M189 WeakPolarHBondContact O-CG 3.29Å; K185-M189 PolarHBondContact O-N 3.37Å
186V96.4Very high95.7Very high75 Ų75102.4 Ų102.446%0.45553%0.526SS..Hα-helixtrans-63.2-44.61771730000110.5E182 R188 M189 V190E182-V186 WeakPolarHBondContact O-CB 3.45Å; E182-V186 VanDerWaalsContact O-CG2 3.27Å; E182-V186 WeakPolarHBondContact O-CG2 3.42Å; E182-V186 PolarHBondContact O-N 2.95Å; V186-R188 VanDerWaalsContact C-N 3.31Å; V186-R188 PolarHBondContact O-N 3.23Å; V186-M189 HydrophobicContact CG2-CE 4.08Å; V186-M189 PolarHBondContact O-N 2.83Å; V186-V190 HydrophobicContact CG1-CG2 4.2Å; V186-V190 WeakPolarHBondContact O-CB 3.43Å; V186-V190 VanDerWaalsContact O-CG2 3.24Å; V186-V190 WeakPolarHBondContact O-CG2 3.44Å; V186-V190 PolarHBondContact O-N 3.4Å
187S97.2Very high95.5Very high67 Ų67104.1 Ų104.147%0.46953%0.528SS..Hα-helixtrans-62.3-38.7178.1730000112.2K183 E184 V190 H191K183-S187 WeakPolarHBondContact O-CB 3.43Å; K183-S187 PolarHBondContact O-N 2.97Å; K183-S187 PolarHBondContact O-OG 3.49Å; E184-S187 WeakPolarHBondContact CA-OG 3.44Å; E184-S187 PolarHBondContact O-N 3.29Å; E184-S187 PolarHBondContact O-OG 2.88Å; S187-V190 PolarHBondContact O-N 3.38Å; S187-H191 WeakPolarHBondContact O-CB 3.23Å; S187-H191 PolarHBondContact O-N 3.03Å
188R96.4Very high95.3Very high163 Ų163103.6 Ų103.662%0.61553%0.525SS*.Hα-helixtrans-64.9-44.5175.1-166.5-178.6-58.5176.92.2112.3E184 K185 V186 H191 A192E184-R188 WeakPolarHBondContact O-CB 3.37Å; E184-R188 PolarHBondContact O-N 3.28Å; E184-R188 IonicContact OE1-NH2 2.88Å; E184-R188 PolarHBondContact OE1-NH2 3.09Å; K185-R188 PolarHBondContact O-N 2.91Å; V186-R188 VanDerWaalsContact C-N 3.31Å; V186-R188 PolarHBondContact O-N 3.23Å; R188-H191 PolarHBondContact O-N 3.26Å; R188-A192 PolarHBondContact O-N 2.85Å
189M94.6Very high94.9Very high102 Ų102106.4 Ų106.450%0.50253%0.528SS..Hα-helixtrans-63-45.3175-71.8-173.1-63.300111.6K185 V186 H191 A192 I193K185-M189 WeakPolarHBondContact O-CG 3.29Å; K185-M189 PolarHBondContact O-N 3.37Å; V186-M189 HydrophobicContact CG2-CE 4.08Å; V186-M189 PolarHBondContact O-N 2.83Å; M189-H191 VanDerWaalsContact C-N 3.29Å; M189-H191 PolarHBondContact O-N 3.32Å; M189-A192 PolarHBondContact O-N 2.79Å; M189-I193 VanDerWaalsContact O-CG1 3.28Å; M189-I193 WeakPolarHBondContact O-CG1 3.1Å; M189-I193 PolarHBondContact O-N 2.99Å
190V95.6Very high94.5Very high86 Ų86108.8 Ų108.852%0.52154%0.542SS..Hα-helixtrans-60.7-40.5176.5170.30000111V186 S187 I193 K194V186-V190 HydrophobicContact CG1-CG2 4.2Å; V186-V190 WeakPolarHBondContact O-CB 3.43Å; V186-V190 VanDerWaalsContact O-CG2 3.24Å; V186-V190 WeakPolarHBondContact O-CG2 3.44Å; V186-V190 PolarHBondContact O-N 3.4Å; S187-V190 PolarHBondContact O-N 3.38Å; V190-I193 PolarHBondContact O-N 2.93Å; V190-K194 WeakPolarHBondContact O-CB 3.47Å; V190-K194 PolarHBondContact O-N 3.22Å
191H96Very high94.1Very high95 Ų95114.4 Ų114.444%0.4456%0.555SS.*Hα-helixtrans-62.6-46.8175-175.483.1000111.9S187 R188 M189 I193 K194 M195S187-H191 WeakPolarHBondContact O-CB 3.23Å; S187-H191 PolarHBondContact O-N 3.03Å; R188-H191 PolarHBondContact O-N 3.26Å; M189-H191 VanDerWaalsContact C-N 3.29Å; M189-H191 PolarHBondContact O-N 3.32Å; H191-I193 VanDerWaalsContact C-N 3.3Å; H191-I193 PolarHBondContact O-N 3.07Å; H191-K194 WeakPolarHBondContact O-CB 3.32Å; H191-K194 PolarHBondContact O-N 3.38Å; H191-K194 VanDerWaalsContact O-N 3.15Å; H191-M195 WeakPolarHBondContact CE1-CE 3.35Å; H191-M195 WeakPolarHBondContact O-CG 3.32Å; H191-M195 PolarHBondContact O-N 3.07Å
192A96.7Very high93.3Very high12 Ų12120.2 Ų120.210%0.09957%0.567CS.*Hα-helixtrans-62.2-36.717700000112.5R188 M189 G196 W197 I198R188-A192 PolarHBondContact O-N 2.85Å; M189-A192 PolarHBondContact O-N 2.79Å; A192-G196 PolarHBondContact O-N 2.82Å; A192-G196 VanDerWaalsContact O-N 3.16Å; A192-W197 HydrophobicContact CB-CB 4.5Å; A192-W197 HydrophobicContact CB-CE3 4.4Å; A192-W197 PolarHBondContact O-N 3.01Å; A192-I198 HydrophobicContact CB-CB 4.43Å; A192-I198 HydrophobicContact CB-CD1 3.7Å; A192-I198 HydrophobicContact CB-CG1 3.97Å; A192-I198 PolarHBondContact O-N 3.45Å
193I94.3Very high92.6Very high75 Ų75119.4 Ų119.439%0.38557%0.572SS.*Hα-helixtrans-65.3-45.6172.5-67163.6000110.6M189 V190 H191 M195 G196 I198M189-I193 VanDerWaalsContact O-CG1 3.28Å; M189-I193 WeakPolarHBondContact O-CG1 3.1Å; M189-I193 PolarHBondContact O-N 2.99Å; V190-I193 PolarHBondContact O-N 2.93Å; H191-I193 VanDerWaalsContact C-N 3.3Å; H191-I193 PolarHBondContact O-N 3.07Å; I193-M195 VanDerWaalsContact C-N 3.29Å; I193-M195 PolarHBondContact O-N 3.39Å; I193-G196 WeakPolarHBondContact O-CA 3.43Å; I193-G196 PolarHBondContact O-N 2.91Å; I193-I198 WeakPolarHBondContact CA-O 3.35Å; I193-I198 HydrophobicContact CG1-CB 4.16Å; I193-I198 HydrophobicContact CG1-CG2 4.19Å; I193-I198 WeakPolarHBondContact CG1-O 3.31Å
194K94.8Very high91.8Very high173 Ų173123.8 Ų123.875%0.75259%0.585SS**Hα-helixtrans-61.4-37.4179.1-173.7177.3-179.21780112.4V190 H191 G196V190-K194 WeakPolarHBondContact O-CB 3.47Å; V190-K194 PolarHBondContact O-N 3.22Å; H191-K194 WeakPolarHBondContact O-CB 3.32Å; H191-K194 PolarHBondContact O-N 3.38Å; H191-K194 VanDerWaalsContact O-N 3.15Å; K194-G196 PolarHBondContact O-N 3.3Å
195M96Very high90.9Very high100 Ų100123.9 Ų123.949%0.49359%0.589SS.*THydrogen-bonded Turntrans-78.8-5.7174.7-63.9-57.3175.600113.2H191 I193 W197H191-M195 WeakPolarHBondContact CE1-CE 3.35Å; H191-M195 WeakPolarHBondContact O-CG 3.32Å; H191-M195 PolarHBondContact O-N 3.07Å; I193-M195 VanDerWaalsContact C-N 3.29Å; I193-M195 PolarHBondContact O-N 3.39Å; M195-W197 VanDerWaalsContact C-N 3.33Å; M195-W197 HydrophobicContact CB-CD2 4.21Å; M195-W197 HydrophobicContact CB-CG 4.34Å; M195-W197 PolarHBondContact O-N 3.23Å
196G92.4Very high90Very high50 Ų50123.7 Ų123.752%0.51560%0.601SS.*THydrogen-bonded Turntrans78.89.1178.200000115.1A192 I193 K194 I198A192-G196 PolarHBondContact O-N 2.82Å; A192-G196 VanDerWaalsContact O-N 3.16Å; I193-G196 WeakPolarHBondContact O-CA 3.43Å; I193-G196 PolarHBondContact O-N 2.91Å; K194-G196 PolarHBondContact O-N 3.3Å; G196-I198 VanDerWaalsContact C-N 3.35Å
197W92.4Very high89.1Confident203 Ų203125.2 Ų125.277%0.76961%0.61SS**SBendtrans-73.6-29178.1-59.6-13.4000112.6A192 M195A192-W197 HydrophobicContact CB-CB 4.5Å; A192-W197 HydrophobicContact CB-CE3 4.4Å; A192-W197 PolarHBondContact O-N 3.01Å; M195-W197 VanDerWaalsContact C-N 3.33Å; M195-W197 HydrophobicContact CB-CD2 4.21Å; M195-W197 HydrophobicContact CB-CG 4.34Å; M195-W197 PolarHBondContact O-N 3.23Å
198I90.6Very high88.2Confident86 Ų86126 Ų12644%0.44161%0.614SS.*SBendtrans-123.7121.6177.3-61.5177.8000107.6A192 I193 G196A192-I198 HydrophobicContact CB-CB 4.43Å; A192-I198 HydrophobicContact CB-CD1 3.7Å; A192-I198 HydrophobicContact CB-CG1 3.97Å; A192-I198 PolarHBondContact O-N 3.45Å; I193-I198 WeakPolarHBondContact CA-O 3.35Å; I193-I198 HydrophobicContact CG1-CB 4.16Å; I193-I198 HydrophobicContact CG1-CG2 4.19Å; I193-I198 WeakPolarHBondContact CG1-O 3.31Å; G196-I198 VanDerWaalsContact C-N 3.35Å
199Q86Confident87.2Confident174 Ų174122.3 Ų122.381%0.81361%0.613SS**  trans-89.8133.7171.6-69.1-170-12.400109.9
200P87.6Confident86.4Confident93 Ų93125.8 Ų125.860%0.60463%0.626SS**  trans-60146.1171.227.1-32.9000108.9R202P200-R202 PolarHBondContact O-N 3.17Å
201R84.7Confident85.6Confident250 Ų250130.6 Ų130.694%0.94364%0.636SS**  trans-57.5112.5178.6-80.4-174.5166.8179.9-3.7109.3
202R78.9Confident84.8Confident211 Ų211131.8 Ų131.880%0.79665%0.645SS**PPolyproline II helixtrans-68.7136.4170.8-164.5174.5179.8163.3-1.2108.2P200 R204P200-R202 PolarHBondContact O-N 3.17Å; R202-R204 PolarHBondContact O-N 2.87Å
203P83.3Confident84Confident108 Ų108138.4 Ų138.470%0.70168%0.678SS**PPolyproline II helixtrans-54.7130.6169.322.3-31.5000108.5D205P203-D205 PolarHBondContact O-N 3.29Å
204R78.9Confident83.1Confident241 Ų241145.3 Ų145.391%0.90970%0.7SS**PPolyproline II helixtrans-72125.4-177.6-170.6169.7175.2166.7-1.8108R202R202-R204 PolarHBondContact O-N 2.87Å
205D79.6Confident81.7Confident109 Ų109140.8 Ų140.858%0.58370%0.695SS**PPolyproline II helixtrans-63.5127174.7-65-45.5000108.6P203 T207P203-D205 PolarHBondContact O-N 3.29Å; D205-T207 PolarHBondContact O-N 3.15Å
206P77.3Confident80Confident124 Ų124145.5 Ų145.581%0.80572%0.715SS**SBendtrans-76-9.7-176.130.9-35.6000112.5P208P206-P208 WeakPolarHBondContact O-CD 3.43Å
207T77.9Confident78.1Confident107 Ų107155.7 Ų155.766%0.65675%0.75SS**SBendtrans-75.4121.2177.346.80000109.5D205 S209D205-T207 PolarHBondContact O-N 3.15Å; T207-S209 PolarHBondContact O-N 2.7Å
208P77.4Confident77.4Confident84 Ų84153.4 Ų153.455%0.54575%0.749SS.*  trans-62.5134.4170-922.4000108.4P206 F210P206-P208 WeakPolarHBondContact O-CD 3.43Å; P208-F210 HydrophobicContact CB-CD2 4.12Å; P208-F210 HydrophobicContact CB-CE1 4.14Å; P208-F210 HydrophobicContact CB-CE2 3.53Å; P208-F210 HydrophobicContact CB-CZ 3.55Å; P208-F210 HydrophobicContact CG-CD2 4.49Å; P208-F210 HydrophobicContact CG-CE2 3.56Å; P208-F210 HydrophobicContact CG-CZ 3.69Å; P208-F210 WeakPolarHBondContact O-CD2 3.38Å; P208-F210 PolarHBondContact O-N 2.72Å
209S76.6Confident76.7Confident85 Ų85156.9 Ų156.959%0.59477%0.765SS**  trans-73.693.5174.9-175.30000108.5T207 Y211T207-S209 PolarHBondContact O-N 2.7Å; S209-Y211 WeakPolarHBondContact OG-CE2 3.43Å; S209-Y211 VanDerWaalsContact OG-CZ 3.27Å; S209-Y211 PolarHBondContact OG-OH 3.36Å
210F78Confident76.2Confident176 Ų176155.9 Ų155.977%0.77276%0.762SS**  trans-90.6121.7168-58.2-68.8000108P208P208-F210 HydrophobicContact CB-CD2 4.12Å; P208-F210 HydrophobicContact CB-CE1 4.14Å; P208-F210 HydrophobicContact CB-CE2 3.53Å; P208-F210 HydrophobicContact CB-CZ 3.55Å; P208-F210 HydrophobicContact CG-CD2 4.49Å; P208-F210 HydrophobicContact CG-CE2 3.56Å; P208-F210 HydrophobicContact CG-CZ 3.69Å; P208-F210 WeakPolarHBondContact O-CD2 3.38Å; P208-F210 PolarHBondContact O-N 2.72Å
211Y77.9Confident75.5Confident187 Ų187159.6 Ų159.673%0.73377%0.771SS**  trans-99124.2169.7-65.5-80.5000107.9S209 L213S209-Y211 WeakPolarHBondContact OG-CE2 3.43Å; S209-Y211 VanDerWaalsContact OG-CZ 3.27Å; S209-Y211 PolarHBondContact OG-OH 3.36Å; Y211-L213 PolarHBondContact O-N 3.23Å
212D79.9Confident75Confident120 Ų120154 Ų15464%0.64276%0.761SS**  trans-78.8108.8172.2-170.10.5000108.9W214D212-W214 VanDerWaalsContact C-N 3.26Å; D212-W214 PolarHBondContact O-N 3.16Å; D212-W214 PolarHBondContact OD1-N 2.9Å; D212-W214 VanDerWaalsContact OD1-N 3.15Å
213L78.6Confident74.7Confident151 Ų151150.2 Ų150.279%0.79176%0.758SS**SBendtrans-82.8-2.4-177.6-64171.8000112.8Y211Y211-L213 PolarHBondContact O-N 3.23Å
214W75.4Confident74.1Confident220 Ų220153.2 Ų153.283%0.83376%0.762SS**  trans-117.65.1-167.7-58.794.6000114.2D212 Q216D212-W214 VanDerWaalsContact C-N 3.26Å; D212-W214 PolarHBondContact O-N 3.16Å; D212-W214 PolarHBondContact OD1-N 2.9Å; D212-W214 VanDerWaalsContact OD1-N 3.15Å; W214-Q216 PolarHBondContact O-N 2.67Å
215A66.3Low73.7Confident78 Ų78146.5 Ų146.565%0.64575%0.751SS**SBendtrans-76.71.8-17600000115.1
216Q59.9Low73.2Confident198 Ų198149.6 Ų149.693%0.92577%0.765SS**  trans-126.487.6174.7-69.1-170.9-200110.5W214W214-Q216 PolarHBondContact O-N 2.67Å
217E53.3Low72.8Confident265 Ų265151.9 Ų151.9100%1.23876%0.761SS**  trans-137.30149.4-164.1165.7-152.600109.2

Retrieved 217 of 217 residues in 176.1 ms (Link to these results)