A0A077YVZ5_TRITR Loading...

Pxl1p

AlphaFold DB , UniProt , Accession A0A077YVZ5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, 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
1M23.1Very low22.7Very low233 Ų233154.5 Ų154.5100%1.14881%0.806SS**  0136.60-147.5172.4-16400106.7
2C20.6Very low22.8Very low108 Ų108150.5 Ų150.573%0.7380%0.801SS**  trans65.8143.5179.8-45.50000116.7
3H21.4Very low22.7Very low171 Ų171147.9 Ų147.979%0.79280%0.802SS**  cis-157.6145.4-32.7-111.4-69000107.1
4L21.2Very low22.7Very low145 Ų145143.7 Ų143.776%0.75980%0.797SS**  trans-68.1146.8167.1-79.1106.7000110.2
5F24Very low22.7Very low213 Ų213141.4 Ų141.493%0.93479%0.793SS**  trans-135.8126.1134.7-93.8-75.7000110.7
6N21.4Very low22.7Very low123 Ų123143.3 Ų143.366%0.65879%0.794SS**  trans-107165.6174.4-159.916.2000107.7
7N22.8Very low22.7Very low137 Ų137144.6 Ų144.673%0.73379%0.792SS**  trans72.1145.3-179.6-33.7-37000112.8
8S23.4Very low22.8Very low101 Ų101138.6 Ų138.671%0.70677%0.769SS**  cis-147.8146.913.6-47.50000109.9
9F25.4Very low22.7Very low216 Ų216136.4 Ų136.495%0.94777%0.765SS**  trans-79.6129.9151.8-90.1-91.6000107.8
10P23.7Very low22.8Very low95 Ų95134.8 Ų134.862%0.61775%0.753SS**  trans-137154.1132.734.7-21.3000113.5
11D22.6Very low22.8Very low158 Ų158133.5 Ų133.585%0.84575%0.748SS**  trans64.2127.2155.1-56.8-28.3000122.1
12S24.4Very low22.8Very low106 Ų106132.9 Ų132.974%0.74173%0.733SS**  trans-66.3159.2167.8520000113.2
13S21.8Very low22.9Very low117 Ų117135.6 Ų135.682%0.81874%0.739SS**  trans88.4152.5175.383.60000115.5
14A22.7Very low23Very low89 Ų89133.4 Ų133.474%0.73674%0.738SS**  trans71.8125.3-174.100000117.5
15C22.4Very low23.1Very low109 Ų109132.6 Ų132.674%0.73675%0.745SS**  trans61.3108.8154.7-55.10000117.2
16E22.1Very low23Very low172 Ų172125.3 Ų125.380%0.80473%0.73SS**  52.9136.872.8-59.7-160.2142.600114.4
17H23.9Very low23.1Very low165 Ų165126.7 Ų126.776%0.76474%0.743SS**  trans94.8123-178.8-56.582.2000117.6R210H17-R210 PolarHBondContact O-NH2 3.23Å
18G23Very low23.2Very low37 Ų37128.4 Ų128.438%0.38175%0.751SS.*  118.4-103.298.500000116.4R210G18-R210 VanDerWaalsContact C-CZ 3.44Å; G18-R210 PolarHBondContact O-NE 3.47Å; G18-R210 VanDerWaalsContact O-NE 3.11Å; G18-R210 PolarHBondContact O-NH2 3.11Å
19S22.3Very low23.1Very low97 Ų97128.7 Ų128.768%0.67876%0.76SS**  -54.4144.5-129.6-48.60000117.3R210S19-R210 VanDerWaalsContact N-NH2 3.12Å; S19-R210 PolarHBondContact O-NE 2.99Å
20I23.8Very low23.1Very low104 Ų104122 Ų12253%0.53375%0.752SS.*  trans-129.4116.1-166.6-80.9167.9000107.1D209I20-D209 VanDerWaalsContact CA-OD2 3.29Å; I20-D209 WeakPolarHBondContact CA-OD2 2.98Å; I20-D209 WeakPolarHBondContact CB-OD2 3.48Å; I20-D209 WeakPolarHBondContact CG2-OD2 3.29Å
21V22.8Very low23Very low107 Ų107123.7 Ų123.765%0.64877%0.765SS**  trans-104.896.3-175.5-178.70000110.4L23 D209V21-L23 PolarHBondContact O-N 3.22Å; V21-D209 VanDerWaalsContact N-CG 3.29Å; V21-D209 PolarHBondContact N-OD2 3.49Å; V21-D209 VanDerWaalsContact O-CG 3.31Å
22R23.5Very low23.2Very low221 Ų221119.8 Ų119.883%0.83476%0.755SS**  trans-74.8103.4-173.2-164.3179.2-165.4165.51.9112.4T24R22-T24 PolarHBondContact O-N 3.34Å
23L23.1Very low23.1Very low165 Ų165120.4 Ų120.486%0.86476%0.76SS**PPolyproline II helixtrans-77.6116.5170.8-71.5174.2000111.3V21V21-L23 PolarHBondContact O-N 3.22Å
24T22.5Very low23.2Very low124 Ų124124 Ų12476%0.76176%0.761SS**PPolyproline II helixtrans-83155.8177.141.90000112.3R22 G26R22-T24 PolarHBondContact O-N 3.34Å; T24-G26 PolarHBondContact O-N 3.28Å
25S23.4Very low23.3Very low129 Ų129124.7 Ų124.790%0.90277%0.766SS**PPolyproline II helixtrans-58.1118-17151.40000114.4
26G23.3Very low23.4Very low60 Ų60124.3 Ų124.362%0.61977%0.765SS**  trans-127.2129.7167.900000111.2T24 L28T24-G26 PolarHBondContact O-N 3.28Å; G26-L28 PolarHBondContact O-N 3.27Å
27T21.8Very low23.5Very low152 Ų152127.1 Ų127.193%0.93377%0.768SS**  trans-34.5118.7176.435.20000115.9
28L25.4Very low23.5Very low173 Ų173130.2 Ų130.291%0.90677%0.773SS**  trans-124.995.1167.6-89.3165.1000110.6G26G26-L28 PolarHBondContact O-N 3.27Å
29A21.6Very low23.7Very low107 Ų107133.9 Ų133.988%0.88479%0.788SS**  trans-80.7127164.900000109.4
30G25.4Very low23.8Very low76 Ų76138 Ų13878%0.78480%0.799SS**  trans-172.7111.817900000111.8
31S22.4Very low24Very low129 Ų129140.1 Ų140.190%0.90281%0.811SS**PPolyproline II helixtrans-77126.2-178.434.70000111.8
32A26.3Very low24.2Very low77 Ų77143.3 Ų143.364%0.63683%0.825SS**PPolyproline II helixtrans-92.7119.2170.500000110F34A32-F34 HydrophobicContact CB-CE2 4.4Å; A32-F34 WeakPolarHBondContact O-CD2 3.41Å
33S22.6Very low24.4Very low119 Ų119138 Ų13883%0.83281%0.813SS**PPolyproline II helixtrans-86.7129.2174.156.80000111.2
34F24.1Very low24.5Very low192 Ų192137.4 Ų137.484%0.84280%0.803SS**  trans-99.190.1-177-70.2-90.8000111.5A32 S36A32-F34 HydrophobicContact CB-CE2 4.4Å; A32-F34 WeakPolarHBondContact O-CD2 3.41Å; F34-S36 PolarHBondContact O-N 2.69Å
35A23.3Very low24.8Very low103 Ų103134.9 Ų134.985%0.85179%0.791SS**  trans-80.578.2173.500000111.9R37A35-R37 PolarHBondContact O-N 2.72Å; A35-R37 VanDerWaalsContact O-N 3.14Å
36S25.5Very low25Very low101 Ų101133.7 Ų133.771%0.70678%0.778SS**  trans-80.486.7174.7-1710000111.3F34 R38F34-S36 PolarHBondContact O-N 2.69Å; S36-R38 PolarHBondContact O-N 3.36Å
37R24.1Very low25.3Very low231 Ų231140.3 Ų140.387%0.87279%0.785SS**  trans-81.495.6173.2-138.6-180-154.8-150.85.3109.6A35 T39A35-R37 PolarHBondContact O-N 2.72Å; A35-R37 VanDerWaalsContact O-N 3.14Å; R37-T39 PolarHBondContact O-N 3Å
38R24.1Very low25.5Very low231 Ų231137.7 Ų137.787%0.87276%0.764SS**  trans-70.6102.6169.4-69.3-176.5-177.9178.31.4109.6S36S36-R38 PolarHBondContact O-N 3.36Å
39T26.3Very low25.7Very low113 Ų113138.1 Ų138.169%0.69375%0.754SS**  trans-112.3107.8155.748.10000106.6R37 D41R37-T39 PolarHBondContact O-N 3Å; T39-D41 PolarHBondContact O-N 2.92Å
40M25.1Very low26Very low185 Ų185137.7 Ų137.791%0.91174%0.736SS**  trans-76.1112.5171.4-72.2-165.2-6600107.9
41D26.9Very low26.1Very low147 Ų147138.4 Ų138.479%0.78673%0.729SS**  trans-137.2140158.4-91.6-53000107.3T39 D43T39-D41 PolarHBondContact O-N 2.92Å; D41-D43 PolarHBondContact O-N 2.88Å
42D27.2Very low26.4Very low174 Ų174140 Ų14093%0.9372%0.72SS**SBendtrans-75.364.3-169.3-80.1-54000113.1
43D27.5Very low26.5Very low110 Ų110139.5 Ų139.559%0.58872%0.716SS**SBendtrans-160.5140.8154.4-125.3-12.3000116.2D41D41-D43 PolarHBondContact O-N 2.88Å
44K26.2Very low26.7Very low152 Ų152137.8 Ų137.866%0.66170%0.696SS**SBendtrans35.4104.8145-65.2157.6-169.11100118
45S28.8Very low26.8Very low72 Ų72137 Ų13750%0.50370%0.698SS.*  trans83.3104.3157.975.40000118.9R47S45-R47 PolarHBondContact O-N 3.02Å; S45-R47 VanDerWaalsContact O-N 3.12Å
46T27.5Very low26.9Very low103 Ų103134.7 Ų134.763%0.63267%0.674SS**  trans-67.4103.2165.5-34.10000110.5L48 V69T46-L48 PolarHBondContact O-N 2.83Å; T46-V69 VanDerWaalsContact O-O 3.12Å
47R28.9Very low27.1Very low200 Ų200138.3 Ų138.376%0.75569%0.686SS**  trans-72.992.2177.5-69.6-175.8179.8179.81.8111.5S45 R49S45-R47 PolarHBondContact O-N 3.02Å; S45-R47 VanDerWaalsContact O-N 3.12Å; R47-R49 PolarHBondContact O-N 2.76Å
48L27.1Very low27.3Very low96 Ų96134.5 Ų134.550%0.50368%0.675SS.*  trans-76.597.9166.3-77.5168.8000110.5T46 L50 C67 V69T46-L48 PolarHBondContact O-N 2.83Å; L48-L50 PolarHBondContact O-N 3.38Å; L48-C67 VanDerWaalsContact O-O 3.05Å; L48-V69 HydrophobicContact CB-CB 4.07Å; L48-V69 HydrophobicContact CB-CG2 3.88Å; L48-V69 HydrophobicContact CD1-CB 3.9Å; L48-V69 HydrophobicContact CD1-CG1 4.04Å; L48-V69 HydrophobicContact CD1-CG2 3.91Å; L48-V69 HydrophobicContact CG-CB 4.47Å
49R29.1Very low27.4Very low183 Ų183130.4 Ų130.469%0.69168%0.679SS**  trans-7898.1174.2-166.3176.9-161.8-171.2-0.4110.4R47 S51 D66R47-R49 PolarHBondContact O-N 2.76Å; R49-S51 VanDerWaalsContact C-N 3.33Å; R49-S51 PolarHBondContact O-N 3Å; R49-S51 VanDerWaalsContact O-N 3.14Å; R49-D66 IonicContact CZ-OD1 3.67Å; R49-D66 IonicContact NE-OD1 2.65Å; R49-D66 PolarHBondContact NE-OD1 3.14Å; R49-D66 IonicContact NH2-OD1 3.43Å; R49-D66 PolarHBondContact NH2-OD1 3.39Å
50L28.1Very low27.4Very low98 Ų98129.8 Ų129.851%0.51368%0.679SS.*  trans-83.974.1173.4-69.1168.6000111L48 K52 C67L48-L50 PolarHBondContact O-N 3.38Å; L50-K52 PolarHBondContact O-N 3.22Å; L50-C67 HydrophobicContact CB-CB 4.01Å; L50-C67 HydrophobicContact CD1-CB 3.96Å; L50-C67 HydrophobicContact CG-CB 4.37Å
51S27.6Very low27.5Very low90 Ų90123.3 Ų123.363%0.62965%0.651SS**  trans-72.988.5169.352.30000110.3R49R49-S51 VanDerWaalsContact C-N 3.33Å; R49-S51 PolarHBondContact O-N 3Å; R49-S51 VanDerWaalsContact O-N 3.14Å
52K29Very low27.5Very low164 Ų164121.6 Ų121.671%0.71365%0.646SS**  trans-104107.3168-166.4171.7-173.81790109.3L50 I54L50-K52 PolarHBondContact O-N 3.22Å; K52-I54 PolarHBondContact O-N 2.86Å
53A26.5Very low27.5Very low66 Ų66117.6 Ų117.655%0.54562%0.618SS.*  trans-64.4117.3166.900000108.4M55A53-M55 PolarHBondContact O-N 2.88Å
54I28Very low27.6Very low83 Ų83118.5 Ų118.543%0.42662%0.623SS.*EExtended strand (participates in β ladder)trans-82.2104.9162.9-58.2-176.2000105.6K52 C56 F65K52-I54 PolarHBondContact O-N 2.86Å; I54-C56 PolarHBondContact O-N 3.31Å; I54-F65 HydrophobicContact CD1-CE2 3.65Å; I54-F65 HydrophobicContact CD1-CZ 4.29Å; I54-F65 HydrophobicContact CG1-CE2 4.22Å
55M25.5Very low27.9Very low176 Ų176116.2 Ų116.287%0.86761%0.614SS**EExtended strand (participates in β ladder)trans-71.7116.7165.3-59-156.5-51.700107.4A53A53-M55 PolarHBondContact O-N 2.88Å
56C26.5Very low27.9Very low53 Ų53117.1 Ų117.136%0.35861%0.613SS.*  trans-84.7151.6164.7-630000109I54 K58 C61I54-C56 PolarHBondContact O-N 3.31Å; C56-K58 PolarHBondContact O-N 3.34Å; C56-C61 HydrophobicContact CB-CB 4.17Å
57D29.9Very low28.1Very low178 Ų178114.6 Ų114.695%0.95260%0.599SS**SBendtrans-66.913.8169.8-60.1-48.1000113.7
58K27Very low28.1Very low150 Ų150111 Ų11165%0.65259%0.589SS**SBendtrans-113.9125.1167.7-68.2-175.4178-178.90107.9C56 S60C56-K58 PolarHBondContact O-N 3.34Å; K58-S60 PolarHBondContact O-N 3.36Å
59P27.5Very low28.2Very low145 Ų145107.5 Ų107.594%0.94257%0.572SS**THydrogen-bonded Turntrans-71.423.6-169.530-37.7000115.4
60S26.3Very low28.2Very low101 Ų101106 Ų10671%0.70657%0.566SS**THydrogen-bonded Turntrans-139.22.5-16750.50000115.4K58K58-S60 PolarHBondContact O-N 3.36Å
61C25.7Very low28.2Very low48 Ų48109.3 Ų109.332%0.32457%0.572SS.*  trans-116.1108.2179.5-68.60000112.1C56 Y63C56-C61 HydrophobicContact CB-CB 4.17Å; C61-Y63 HydrophobicContact CB-CE2 3.97Å
62V27.1Very low28.2Very low112 Ų112110.3 Ų110.368%0.67957%0.574SS**EExtended strand (participates in β ladder)trans-111.2105.5169.8-179.70000109.2
63Y28.8Very low28.1Very low89 Ų89104.1 Ų104.135%0.34956%0.557SS.*EExtended strand (participates in β ladder)trans-88.3119.3174.4-67.7-82.2000111.1C61 F65C61-Y63 HydrophobicContact CB-CE2 3.97Å; Y63-F65 HydrophobicContact CG-CE2 4.42Å; Y63-F65 HydrophobicContact CG-CZ 4.47Å
64N29.1Very low28Very low129 Ų129106.4 Ų106.469%0.6957%0.569SS**  trans-101119.1171.7-78.3-49.9000110.3
65F31Very low28Very low105 Ų105108 Ų10846%0.46158%0.582SS.*  trans-110.4117.3173.6-60.6-84.9000110.1I54 Y63 C67I54-F65 HydrophobicContact CD1-CE2 3.65Å; I54-F65 HydrophobicContact CD1-CZ 4.29Å; I54-F65 HydrophobicContact CG1-CE2 4.22Å; Y63-F65 HydrophobicContact CG-CE2 4.42Å; Y63-F65 HydrophobicContact CG-CZ 4.47Å; F65-C67 PolarHBondContact O-N 3.03Å
66D30.7Very low27.9Very low90 Ų90102.7 Ų102.748%0.48157%0.573SS.*  trans-8896.2165.1-72.4-46.9000108.9R49 F68R49-D66 IonicContact CZ-OD1 3.67Å; R49-D66 IonicContact NE-OD1 2.65Å; R49-D66 PolarHBondContact NE-OD1 3.14Å; R49-D66 IonicContact NH2-OD1 3.43Å; R49-D66 PolarHBondContact NH2-OD1 3.39Å; D66-F68 HydrophobicContact CB-CE2 3.99Å; D66-F68 HydrophobicContact CB-CZ 4.28Å; D66-F68 WeakPolarHBondContact O-CD2 3.45Å; D66-F68 WeakPolarHBondContact O-CE2 3.18Å
67C30.4Very low27.9Very low50 Ų50111.3 Ų111.334%0.33860%0.598SS.*  trans-75.7141.7167.6-650000110.3L48 L50 F65L48-C67 VanDerWaalsContact O-O 3.05Å; L50-C67 HydrophobicContact CB-CB 4.01Å; L50-C67 HydrophobicContact CD1-CB 3.96Å; L50-C67 HydrophobicContact CG-CB 4.37Å; F65-C67 PolarHBondContact O-N 3.03Å
68F29.6Very low27.7Very low125 Ų125107.7 Ų107.755%0.54859%0.586SS.*  trans-118.999.5174.7-66.4-89.4000109.6D66 R70D66-F68 HydrophobicContact CB-CE2 3.99Å; D66-F68 HydrophobicContact CB-CZ 4.28Å; D66-F68 WeakPolarHBondContact O-CD2 3.45Å; D66-F68 WeakPolarHBondContact O-CE2 3.18Å; F68-R70 PolarHBondContact O-N 3.12Å
69V29.6Very low27.8Very low23 Ų23109.6 Ų109.614%0.13959%0.594CS.*  trans-80.1105.4171.1-176.50000108.4T46 L48 I158T46-V69 VanDerWaalsContact O-O 3.12Å; L48-V69 HydrophobicContact CB-CB 4.07Å; L48-V69 HydrophobicContact CB-CG2 3.88Å; L48-V69 HydrophobicContact CD1-CB 3.9Å; L48-V69 HydrophobicContact CD1-CG1 4.04Å; L48-V69 HydrophobicContact CD1-CG2 3.91Å; L48-V69 HydrophobicContact CG-CB 4.47Å; V69-I158 HydrophobicContact CG1-CD1 4.46Å; V69-I158 HydrophobicContact CG1-CG1 4.32Å; V69-I158 HydrophobicContact CG1-CG2 4.22Å; V69-I158 HydrophobicContact CG2-CD1 4.26Å; V69-I158 HydrophobicContact CG2-CG2 4.08Å
70R29Very low27.9Very low151 Ų151112.7 Ų112.757%0.5759%0.588SS**  trans-91.4106.6169.1-173.4178.4177.2139.4-2108.8F68 T72F68-R70 PolarHBondContact O-N 3.12Å; R70-T72 HydrophobicContact CG-CG2 3.95Å; R70-T72 PolarHBondContact O-N 3.02Å
71W27.7Very low27.9Very low167 Ų167114.8 Ų114.863%0.63359%0.591SS**  trans-67.7118.8168.9-162.866000109.3G73 V75W71-G73 WeakPolarHBondContact CZ3-O 3.47Å; W71-V75 HydrophobicContact CH2-CG2 3.77Å; W71-V75 HydrophobicContact CZ3-CG2 4.34Å
72T27.1Very low28.3Very low112 Ų112119.1 Ų119.169%0.68761%0.61SS**  trans-118.947.3173.659.50000110.1R70R70-T72 HydrophobicContact CG-CG2 3.95Å; R70-T72 PolarHBondContact O-N 3.02Å
73G27.2Very low28.6Very low34 Ų34120.2 Ų120.235%0.35161%0.612SS.*  trans-94.4131166.100000109.7W71W71-G73 WeakPolarHBondContact CZ3-O 3.47Å
74S25Very low29Very low114 Ų114125.7 Ų125.780%0.79764%0.638SS**  trans-79.5133.5154.449.30000107.6G76S74-G76 PolarHBondContact O-N 3.18Å
75V26.5Very low29.2Very low115 Ų115127.7 Ų127.770%0.69764%0.643SS**  trans-72.187.4161.7-177.50000106.2W71 R77W71-V75 HydrophobicContact CH2-CG2 3.77Å; W71-V75 HydrophobicContact CZ3-CG2 4.34Å; V75-R77 VanDerWaalsContact C-N 3.33Å; V75-R77 PolarHBondContact O-N 3.11Å
76G24.8Very low29.1Very low65 Ų65126.6 Ų126.667%0.6766%0.661SS**  trans-59.997.3170.700000108.6S74 S78S74-G76 PolarHBondContact O-N 3.18Å; G76-S78 PolarHBondContact O-N 3.11Å
77R25.3Very low29Very low235 Ų235132.6 Ų132.689%0.88768%0.677SS**  trans-56.9113.4173.4-74.4-175.9176.4-179.1-0.6107.2V75 K79V75-R77 VanDerWaalsContact C-N 3.33Å; V75-R77 PolarHBondContact O-N 3.11Å; R77-K79 PolarHBondContact O-N 3.21Å
78S27.2Very low28.8Very low102 Ų102137.9 Ų137.971%0.71370%0.701SS**  trans-57.3108.4173.5179.10000108.2G76 R80G76-S78 PolarHBondContact O-N 3.11Å; S78-R80 PolarHBondContact O-N 3.49Å
79K27.6Very low28.8Very low189 Ų189139.5 Ų139.582%0.82271%0.714SS**  trans-77.574.7-178.4-162.1-179.8-173.6-175.20107.4R77 N81R77-K79 PolarHBondContact O-N 3.21Å; K79-N81 PolarHBondContact O-N 3.32Å
80R30.1Very low28.7Very low211 Ų211143.1 Ų143.180%0.79674%0.736SS**  trans-62.8107.9174-83-169-87-177.6-5.2108.1S78 L82S78-R80 PolarHBondContact O-N 3.49Å; R80-L82 PolarHBondContact O-N 3.14Å
81N26Very low28.7Very low145 Ų145141.6 Ų141.678%0.77575%0.746SS**  trans-57120.2164.2-67.6-34.5000107.6K79K79-N81 PolarHBondContact O-N 3.32Å
82L35.5Very low28.7Very low138 Ų138138.1 Ų138.172%0.72375%0.745SS**  trans-135.187.1166.2-88.2165.2000106.8R80R80-L82 PolarHBondContact O-N 3.14Å
83D31.9Very low28.7Very low135 Ų135141 Ų14172%0.72275%0.748SS**  trans39.1136.7145.6-52.7-36000121.9
84K37.2Very low28.8Very low205 Ų205146.9 Ų146.989%0.89177%0.77SS**SBendtrans-61139.6161.8-57166.4-1771750107.2
85E34.8Very low28.8Very low171 Ų171151.4 Ų151.480%0.79977%0.77SS**SBendtrans82.157.3-169.9-52.2-164.515300117.3R87E85-R87 PolarHBondContact O-N 3.22Å
86G28Very low28.8Very low81 Ų81156.9 Ų156.984%0.83578%0.778SS**  3859.4120.800000119.3
87R29.6Very low28.9Very low216 Ų216160.5 Ų160.582%0.81578%0.781SS**  trans-133114.5157.8-72.2-172.3-124.3-164.50.3110.8E85 I89E85-R87 PolarHBondContact O-N 3.22Å; R87-I89 PolarHBondContact O-N 2.99Å
88D25.8Very low29.2Very low161 Ų161157.2 Ų157.286%0.86178%0.776SS**  trans-63.6116.2174.5-73.9-55.4000111.3V90D88-V90 PolarHBondContact O-N 3.31Å
89I30Very low29.2Very low159 Ų159158.8 Ų158.882%0.81578%0.777SS**  trans-91.392.6167.1-55-177.9000108.1R87R87-I89 PolarHBondContact O-N 2.99Å
90V26.5Very low29.3Very low100 Ų100154.4 Ų154.461%0.60677%0.77SS**  trans-47.1128.7-174.2176.60000114.1D88 P92D88-V90 PolarHBondContact O-N 3.31Å; V90-P92 HydrophobicContact CG1-CB 4.44Å; V90-P92 WeakPolarHBondContact O-CD 3.43Å
91P29.2Very low29.3Very low118 Ų118148.9 Ų148.977%0.76676%0.763SS**  trans-78.4115151.929.9-26.5000108.9F93P91-F93 PolarHBondContact O-N 3.26Å
92P28Very low29.7Very low94 Ų94149.1 Ų149.161%0.6176%0.764SS**  trans-81.3107.2-167.430.6-34.2000113V90V90-P92 HydrophobicContact CG1-CB 4.44Å; V90-P92 WeakPolarHBondContact O-CD 3.43Å
93F26.8Very low29.6Very low174 Ų174150.8 Ų150.876%0.76377%0.77SS**  trans67.5159.2164.3-41.1-75.5000115.1P91P91-F93 PolarHBondContact O-N 3.26Å
94I29.1Very low29.6Very low156 Ų156154.4 Ų154.480%0.877%0.774SS**  cis-140.1113.617.6-61.7167.1000106.6
95R25.5Very low29.3Very low210 Ų210152.6 Ų152.679%0.79277%0.768SS**  59.4134.789.5-84.5-169.3176-171.90.5118.1
96R27Very low29.2Very low230 Ų230149.7 Ų149.787%0.86877%0.766SS**  trans76.2120.4168.4-69.4178.2172.5158.9-3.3115.9
97N25.8Very low29.5Very low140 Ų140151.6 Ų151.675%0.74977%0.767SS**  68.913278-101.78.6000112.1
98Q31.4Very low29.3Very low167 Ų167144.3 Ų144.378%0.7876%0.759SS**  cis-134.2146.535.6-56.9174.29.700113.7
99N27Very low29.5Very low135 Ų135142.3 Ų142.372%0.72276%0.758SS**  trans50.3138.4142.4-55.4-7.7000119.2
100S30.9Very low29.5Very low96 Ų96141.9 Ų141.967%0.67176%0.762SS**  cis-1671197410000106.2
101S29.9Very low29.4Very low95 Ų95145.4 Ų145.466%0.66477%0.772SS**  72.8153.7101.179.80000115.7
102L34Very low29.3Very low150 Ų150150.3 Ų150.379%0.78578%0.775SS**  trans75.2134.2168.3-53.1167.6000115.6
103M33.1Very low29.1Very low174 Ų174153.6 Ų153.686%0.85779%0.787SS**  cis-131.5152.6-4-71.1-160.7119.300112.8
104R32.5Very low29.1Very low211 Ų211150.2 Ų150.280%0.79678%0.782SS**  trans-91.2175.3165.5-71.6171.6168.6179-4.8110.1
105H31Very low29Very low167 Ų167149.9 Ų149.977%0.77378%0.781SS**  trans75.9139.6165.7-40.5-74.4000114
106S31.5Very low29.1Very low109 Ų109146.2 Ų146.276%0.76278%0.777SS**  cis-131.1-175.8-5.2-66.10000108.3
107S34.8Very low29.3Very low121 Ų121142 Ų14285%0.84677%0.767SS**  cis-142.8179.414.9-69.40000108.6
108G26.7Very low29.6Very low63 Ų63140.1 Ų140.165%0.64976%0.763SS**  cis116.2958.100000111.8
109S28.6Very low29.6Very low119 Ų119138.5 Ų138.583%0.83276%0.758SS**  trans50.4109.7164.6650000121.5
110V30.5Very low29.8Very low150 Ų150142.2 Ų142.291%0.90976%0.762SS**  -141.8126129.3-179.40000108.5
111Q24.9Very low29.8Very low174 Ų174141.7 Ų141.781%0.81375%0.749SS**  trans-90.3137.9167.2-69.4175.8-20.500109.9
112R26.1Very low30Very low222 Ų222141.9 Ų141.984%0.83875%0.748SS**  169.6120.7115.5-93.1173.9-175.2-176.32113.3
113L24.9Very low30.2Very low162 Ų162143.9 Ų143.985%0.84875%0.745SS**  trans66152.6141.2-64.4172.1000120.3
114P27Very low30.2Very low104 Ų104141.3 Ų141.368%0.67573%0.734SS**  trans-102-176.6-163.740.7-34.4000113.4
115I27.2Very low30.1Very low148 Ų148137.5 Ų137.576%0.75973%0.729SS**  trans103.8134.2168.8-58.9159.5000114
116D27.2Very low30.1Very low134 Ų134134.3 Ų134.372%0.71772%0.723SS**  trans56.7111.1167.9-62.2-21.7000121.6
117E29.9Very low29.9Very low141 Ų141134.7 Ų134.766%0.65972%0.724SS**  -147.771.6127.3-144.9177.8-152.300113.8I119 R120E117-I119 PolarHBondContact O-N 3.19Å; E117-R120 IonicContact OE1-CZ 3.13Å; E117-R120 IonicContact OE1-NE 2.72Å; E117-R120 PolarHBondContact OE1-NE 3.35Å; E117-R120 IonicContact OE1-NH2 2.69Å; E117-R120 PolarHBondContact OE1-NH2 3.47Å
118P33Very low29.6Very low101 Ų101133.3 Ų133.366%0.65672%0.715SS**  trans-77.9107.5161.331.7-29.7000110.2
119I31.6Very low29.9Very low133 Ų133139.5 Ų139.568%0.68273%0.732SS**  trans46.395.6152.7-51.6177.2000115.4E117 Q121E117-I119 PolarHBondContact O-N 3.19Å; I119-Q121 VanDerWaalsContact C-N 3.28Å; I119-Q121 HydrophobicContact CG2-CB 4.35Å; I119-Q121 HydrophobicContact CG2-CG 4.08Å; I119-Q121 PolarHBondContact O-N 3.2Å
120R29.8Very low30Very low213 Ų213136.3 Ų136.380%0.80472%0.718SS**  trans-63.575.5170.7-60.6-175.7-174.6-165.91113.3E117E117-R120 IonicContact OE1-CZ 3.13Å; E117-R120 IonicContact OE1-NE 2.72Å; E117-R120 PolarHBondContact OE1-NE 3.35Å; E117-R120 IonicContact OE1-NH2 2.69Å; E117-R120 PolarHBondContact OE1-NH2 3.47Å
121Q31.1Very low30Very low85 Ų85130.9 Ų130.940%0.39769%0.688SS.*  trans-131.9101.9168.7-73-161.118.500110.5I119 W123 L124I119-Q121 VanDerWaalsContact C-N 3.28Å; I119-Q121 HydrophobicContact CG2-CB 4.35Å; I119-Q121 HydrophobicContact CG2-CG 4.08Å; I119-Q121 PolarHBondContact O-N 3.2Å; Q121-W123 HydrophobicContact CB-CZ2 4.4Å; Q121-W123 HydrophobicContact CG-CZ2 4.17Å; Q121-W123 PolarHBondContact O-N 3.44Å; Q121-L124 HydrophobicContact CB-CB 4.45Å; Q121-L124 HydrophobicContact CB-CD1 4.1Å; Q121-L124 HydrophobicContact CB-CG 4.41Å; Q121-L124 PolarHBondContact O-N 3.05Å; Q121-L124 VanDerWaalsContact O-N 3.11Å
122P34.6Very low30.3Very low99 Ų99125.1 Ų125.164%0.64368%0.676SS**THydrogen-bonded Turntrans-69.9-4.4-170.328-35.1000114.9
123W38.9Very low30.6Very low192 Ų192117.7 Ų117.773%0.72766%0.662SS**THydrogen-bonded Turntrans-102.52.9176.748.172000113.8Q121Q121-W123 HydrophobicContact CB-CZ2 4.4Å; Q121-W123 HydrophobicContact CG-CZ2 4.17Å; Q121-W123 PolarHBondContact O-N 3.44Å
124L32.7Very low30.9Very low120 Ų120117 Ų11763%0.62866%0.658SS**  trans-106.715.1174.7-74.9175.5000113.1Q121 P126Q121-L124 HydrophobicContact CB-CB 4.45Å; Q121-L124 HydrophobicContact CB-CD1 4.1Å; Q121-L124 HydrophobicContact CB-CG 4.41Å; Q121-L124 PolarHBondContact O-N 3.05Å; Q121-L124 VanDerWaalsContact O-N 3.11Å; L124-P126 WeakPolarHBondContact O-CD 3.27Å
125L29.9Very low31.1Very low131 Ų131117 Ų11769%0.68666%0.657SS**  trans-73.8122.5173.1-72.5167.2000109.7C127L125-C127 PolarHBondContact O-N 3.48Å; L125-C127 VanDerWaalsContact O-N 3.11Å
126P30.5Very low31.4Very low99 Ų99113.4 Ų113.464%0.64365%0.645SS**  trans-67.8111.217426.9-32.3000109.5L124 S128 A131L124-P126 WeakPolarHBondContact O-CD 3.27Å; P126-S128 PolarHBondContact O-N 3.2Å; P126-A131 HydrophobicContact CB-CB 4.31Å
127C28.5Very low31.5Very low117 Ų117114.9 Ų114.979%0.79165%0.647SS**SBendtrans-63.2129.2171.4-66.20000109.8L125L125-C127 PolarHBondContact O-N 3.48Å; L125-C127 VanDerWaalsContact O-N 3.11Å
128S28.6Very low31.5Very low93 Ų93112.5 Ų112.565%0.6565%0.646SS**SBendtrans75.8134.3-178.282.70000117.1P126 G130 A131P126-S128 PolarHBondContact O-N 3.2Å; S128-G130 PolarHBondContact O-N 3.17Å; S128-A131 PolarHBondContact O-N 2.8Å
129L32.7Very low31.4Very low193 Ų193112.2 Ų112.2100%1.0165%0.647SS**THydrogen-bonded Turntrans-64.5-0.4178.4-76.1140000114.6
130G29.5Very low31.3Very low52 Ų52110.9 Ų110.954%0.53665%0.649SS.*THydrogen-bonded Turntrans-92.6-19174.500000114.7S128 G132S128-G130 PolarHBondContact O-N 3.17Å; G130-G132 VanDerWaalsContact C-N 3.31Å; G130-G132 PolarHBondContact O-N 3.07Å
131A31.8Very low31.2Very low35 Ų35105.2 Ų105.229%0.28964%0.642SS.*G310 helixtrans-73-20.5-174.100000114P126 S128 A133 L134P126-A131 HydrophobicContact CB-CB 4.31Å; S128-A131 PolarHBondContact O-N 2.8Å; A131-A133 VanDerWaalsContact C-N 3.3Å; A131-A133 PolarHBondContact O-N 3.33Å; A131-L134 PolarHBondContact O-N 3.42Å
132G31.8Very low30.9Very low54 Ų54105.7 Ų105.756%0.55766%0.655SS**G310 helixtrans-71.7-15.2-17700000115.6G130 T135G130-G132 VanDerWaalsContact C-N 3.31Å; G130-G132 PolarHBondContact O-N 3.07Å; G132-T135 PolarHBondContact O-OG1 3.27Å
133A32.1Very low30.6Very low66 Ų66107.9 Ų107.955%0.54566%0.656SS.*G310 helixtrans-93.4-19.417900000113.7A131 S136A131-A133 VanDerWaalsContact C-N 3.3Å; A131-A133 PolarHBondContact O-N 3.33Å; A133-S136 PolarHBondContact O-OG 3.24Å
134L30.9Very low30.1Very low146 Ų146103.9 Ų103.976%0.76466%0.655SS**THydrogen-bonded Turntrans-87.1-13.2178.1-69.4170.9000112.9A131A131-L134 PolarHBondContact O-N 3.42Å
135T31.6Very low29.8Very low106 Ų106100.9 Ų100.965%0.6565%0.648SS**SBendtrans-88.2-5.6172.450.80000113.8G132G132-T135 PolarHBondContact O-OG1 3.27Å
136S32.5Very low29.6Very low72 Ų7298 Ų9850%0.50364%0.642SS.*SBendtrans-103.2-5.4-176.6610000115.1A133 S139A133-S136 PolarHBondContact O-OG 3.24Å; S136-S139 PolarHBondContact O-OG 3.34Å
137Q29.4Very low29.4Very low164 Ų164103.2 Ų103.277%0.76665%0.649SS**SBendtrans-115.7-8.4177.8-66.3-168.1-1.200115S139Q137-S139 PolarHBondContact O-N 3.18Å
138S29.2Very low29.3Very low92 Ų92103.3 Ų103.364%0.64364%0.641SS**THydrogen-bonded Turntrans-80.47.5170.641.70000113.5
139S31.9Very low29.2Very low95 Ų95104 Ų10466%0.66464%0.637SS**THydrogen-bonded Turntrans-88.3-2.4-172.550.20000115.1S136 Q137S136-S139 PolarHBondContact O-OG 3.34Å; Q137-S139 PolarHBondContact O-N 3.18Å
140S29.1Very low28.8Very low104 Ų10499.2 Ų99.273%0.72762%0.624SS**SBendtrans-144.224.1-168630000117
141S27.1Very low28.6Very low94 Ų94101.1 Ų101.166%0.65764%0.635SS**SBendtrans-152.3150.5166.972.90000114.6
142S25.8Very low28.2Very low95 Ų95103 Ų10366%0.66464%0.643SS**  trans51101.416868.70000117.7
143H28.7Very low28Very low145 Ų145106.2 Ų106.267%0.67166%0.657SS**  -170.2119.5109.8-10037.2000109.9A145 A146H143-A145 PolarHBondContact O-N 3.4Å; H143-A145 VanDerWaalsContact O-N 3.13Å; H143-A146 PolarHBondContact O-N 3.43Å
144P27.3Very low27.8Very low108 Ų108108.1 Ų108.170%0.70166%0.658SS**Hα-helixtrans-63.4-18.6179.224.8-32.8000113.3A146 R147 L148P144-A146 VanDerWaalsContact C-N 3.3Å; P144-A146 PolarHBondContact O-N 3Å; P144-R147 PolarHBondContact O-N 3.14Å; P144-L148 PolarHBondContact O-N 3.4Å
145A26Very low27.6Very low58 Ų58103 Ų10348%0.47963%0.633SS.*Hα-helixtrans-59.2-33.9174.800000113.9H143H143-A145 PolarHBondContact O-N 3.4Å; H143-A145 VanDerWaalsContact O-N 3.13Å
146A26.9Very low27.5Very low69 Ų69103.2 Ų103.257%0.5764%0.637SS**Hα-helixtrans-75.3-27.2-178.300000113.2H143 P144H143-A146 PolarHBondContact O-N 3.43Å; P144-A146 VanDerWaalsContact C-N 3.3Å; P144-A146 PolarHBondContact O-N 3Å
147R25.5Very low27.4Very low210 Ų210105.3 Ų105.379%0.79264%0.641SS**Hα-helixtrans-80.5-26.4176.6-72-173.5174.9-175.9-1.4112.9P144 I149 A150 A151P144-R147 PolarHBondContact O-N 3.14Å; R147-I149 PolarHBondContact O-N 3Å; R147-A150 PolarHBondContact O-N 3.05Å; R147-A150 VanDerWaalsContact O-N 3.07Å; R147-A151 PolarHBondContact O-N 3.1Å
148L26.1Very low27.4Very low119 Ų11999.5 Ų99.562%0.62362%0.615SS**Hα-helixtrans-60.2-27.5171.4-110.4149.8000113P144 T152P144-L148 PolarHBondContact O-N 3.4Å; L148-T152 WeakPolarHBondContact O-CG2 3.49Å; L148-T152 PolarHBondContact O-N 3.04Å; L148-T152 PolarHBondContact O-OG1 3.3Å
149I27.4Very low27.4Very low108 Ų10897.8 Ų97.855%0.55460%0.601SS**Hα-helixtrans-81.7-22.5177.3-66.6174.4000111.7R147 L154R147-I149 PolarHBondContact O-N 3Å; I149-L154 HydrophobicContact CB-CD1 4.35Å; I149-L154 HydrophobicContact CG2-CD1 3.49Å; I149-L154 VanDerWaalsContact CG2-CD1 3.49Å; I149-L154 VanDerWaalsContact O-CD1 3.27Å; I149-L154 WeakPolarHBondContact O-CD1 3.49Å
150A24.6Very low27.2Very low91 Ų9194.6 Ų94.675%0.75258%0.578SS**Hα-helixtrans-91-21.7178.700000113.8R147R147-A150 PolarHBondContact O-N 3.05Å; R147-A150 VanDerWaalsContact O-N 3.07Å
151A24.8Very low27.2Very low93 Ų93100.5 Ų100.577%0.76958%0.584SS**Hα-helixtrans-98.7-11.2178.400000113.8R147R147-A151 PolarHBondContact O-N 3.1Å
152T24.4Very low27.4Very low74 Ų74107.2 Ų107.245%0.45460%0.595SS.*SBendtrans-94133.5170.149.20000109.8L148 L154L148-T152 WeakPolarHBondContact O-CG2 3.49Å; L148-T152 PolarHBondContact O-N 3.04Å; L148-T152 PolarHBondContact O-OG1 3.3Å; T152-L154 VanDerWaalsContact C-N 3.26Å; T152-L154 PolarHBondContact O-N 3.31Å
153S26.9Very low27.4Very low121 Ų121105.9 Ų105.985%0.84660%0.597SS**  trans-68.279.6178.954.30000110.8P155S153-P155 VanDerWaalsContact O-CD 3.27Å; S153-P155 WeakPolarHBondContact O-CD 3.47Å
154L27.1Very low27.3Very low106 Ų106110.6 Ų110.656%0.55561%0.609SS**PPolyproline II helixtrans-67.2116.9-177.8-82.5164.5000110.7I149 T152I149-L154 HydrophobicContact CB-CD1 4.35Å; I149-L154 HydrophobicContact CG2-CD1 3.49Å; I149-L154 VanDerWaalsContact CG2-CD1 3.49Å; I149-L154 VanDerWaalsContact O-CD1 3.27Å; I149-L154 WeakPolarHBondContact O-CD1 3.49Å; T152-L154 VanDerWaalsContact C-N 3.26Å; T152-L154 PolarHBondContact O-N 3.31Å
155P27.5Very low27.4Very low39 Ų39116.1 Ų116.125%0.25362%0.615SS.*PPolyproline II helixtrans-66.8152.3174.728.4-33.1000110.1S153 L157 K185S153-P155 VanDerWaalsContact O-CD 3.27Å; S153-P155 WeakPolarHBondContact O-CD 3.47Å; P155-L157 PolarHBondContact O-N 3.32Å; P155-L157 VanDerWaalsContact O-N 3.17Å; P155-K185 WeakPolarHBondContact CB-O 3.2Å; P155-K185 WeakPolarHBondContact CG-O 3.03Å
156P30.1Very low27.3Very low111 Ų111124.1 Ų124.172%0.72163%0.633SS**PPolyproline II helixtrans-61120-171.323.3-34.2000112.3I158P156-I158 PolarHBondContact O-N 2.64Å
157L29Very low27.2Very low115 Ų115130.3 Ų130.360%0.60265%0.647SS**  trans-63.4114.2174.4-72.1167.4000110.5P155 V159 L184P155-L157 PolarHBondContact O-N 3.32Å; P155-L157 VanDerWaalsContact O-N 3.17Å; L157-V159 PolarHBondContact O-N 2.74Å; L157-L184 HydrophobicContact CD2-CD1 4.44Å; L157-L184 HydrophobicContact CD2-CG 4.28Å
158I30.3Very low26.9Very low42 Ų42126.9 Ų126.922%0.21565%0.65CS.*EExtended strand (participates in β ladder)trans-87.2106.7172.9-63.6174.3000108.6V69 P156 V183V69-I158 HydrophobicContact CG1-CD1 4.46Å; V69-I158 HydrophobicContact CG1-CG1 4.32Å; V69-I158 HydrophobicContact CG1-CG2 4.22Å; V69-I158 HydrophobicContact CG2-CD1 4.26Å; V69-I158 HydrophobicContact CG2-CG2 4.08Å; P156-I158 PolarHBondContact O-N 2.64Å; I158-V183 HydrophobicContact CB-CB 4.26Å; I158-V183 PolarHBondContact O-N 2.65Å
159V28.8Very low26.8Very low56 Ų56129.9 Ų129.934%0.33966%0.661SS.*EExtended strand (participates in β ladder)trans-94.1104.2177.2-177.80000110.2L157 R161L157-V159 PolarHBondContact O-N 2.74Å; V159-R161 PolarHBondContact O-N 3.13Å
160C28.6Very low26.5Very low29 Ų29129.4 Ų129.420%0.19667%0.667CS.*EExtended strand (participates in β ladder)trans-85.398.6175.6-75.70000111.1R162 L181C160-R162 PolarHBondContact O-N 3.04Å; C160-L181 HydrophobicContact CB-CB 4.25Å; C160-L181 HydrophobicContact CB-CD2 4.14Å
161R27.8Very low26.3Very low227 Ų227131 Ų13186%0.85767%0.668SS**  trans-80.2110.3167.2-70.2-173.5177.9-179.20.1110.1V159V159-R161 PolarHBondContact O-N 3.13Å
162R30.9Very low26.2Very low235 Ų235134.1 Ų134.189%0.88767%0.671SS**  trans-96125.3176.7-153.1171-169166.23111.2C160C160-R162 PolarHBondContact O-N 3.04Å
163G27.4Very low26Very low67 Ų67142.7 Ų142.769%0.69170%0.695SS**  trans-76.1159.9-17900000113.8R165G163-R165 PolarHBondContact O-N 3.27Å
164R26.2Very low25.7Very low245 Ų245144.2 Ų144.293%0.92569%0.693SS**  trans-60.1114171.7-80.9178.3167.8172-3.4110.6
165R28.2Very low25.5Very low224 Ų224148.1 Ų148.185%0.84571%0.709SS**  trans-107.6122.7149-89.3-172.5168.7-175-3.8107.9G163G163-R165 PolarHBondContact O-N 3.27Å
166R24.2Very low25.4Very low226 Ų226150.8 Ų150.885%0.85372%0.724SS**  trans-75.4124.5169.6-68.8178.7175.8175.2-1.6107.3
167F24.6Very low25.1Very low198 Ų198149.6 Ų149.687%0.86872%0.718SS**  trans-94.2119.9163.9-74.7-88.8000108
168T20.7Very low25Very low138 Ų138149.5 Ų149.585%0.84772%0.718SS**  trans-105.990.4171.645.40000108.4
169Q23Very low25Very low183 Ų183155.3 Ų155.386%0.85574%0.738SS**  trans-142.8153.5159.6-151.7161.93.400109.3
170S21.1Very low25.1Very low97 Ų97154.8 Ų154.868%0.67874%0.735SS**SBendtrans-52146.3-161.442.20000116.7
171T21.2Very low25.2Very low126 Ų126156.2 Ų156.277%0.77374%0.74SS**SBendtrans54.960.4151.557.30000117.7
172N21.2Very low25.4Very low157 Ų157148.8 Ų148.884%0.8471%0.714SS**  trans-178.7118.9130.5-94.9-40.7000110.9L174N172-L174 PolarHBondContact O-N 3.26Å
173R20.5Very low25.4Very low254 Ų254138.9 Ų138.996%0.95868%0.68SS**  trans-80.781-178.9-77.9-173.3174.5-1781.1111.9Q175R173-Q175 PolarHBondContact O-N 3.04Å
174L21.5Very low25.6Very low153 Ų153138.3 Ų138.380%0.80166%0.661SS**  trans-82.696165-88.4163.4000110.7N172 V176N172-L174 PolarHBondContact O-N 3.26Å; L174-V176 VanDerWaalsContact C-N 3.32Å; L174-V176 HydrophobicContact CB-CG2 4.17Å; L174-V176 PolarHBondContact O-N 2.92Å
175Q22.9Very low25.8Very low188 Ų188131.1 Ų131.188%0.87964%0.636SS**  trans-81.372.5-179.1-168.5177.7-1.700110.9R173 S177R173-Q175 PolarHBondContact O-N 3.04Å; Q175-S177 PolarHBondContact O-N 3.24Å
176V24.5Very low25.8Very low96 Ų96124 Ų12458%0.58261%0.614SS**  trans-84.3102.3-174.3-149.50000111.7L174 W179L174-V176 VanDerWaalsContact C-N 3.32Å; L174-V176 HydrophobicContact CB-CG2 4.17Å; L174-V176 PolarHBondContact O-N 2.92Å; V176-W179 HydrophobicContact CG1-CZ2 3.91Å
177S24.6Very low26.1Very low85 Ų85118.9 Ų118.959%0.59460%0.603SS**  trans-90.7136.417855.10000112.9Q175Q175-S177 PolarHBondContact O-N 3.24Å
178N27.3Very low26.2Very low113 Ų113114.3 Ų114.360%0.60459%0.588SS**  trans58.1101.2164.3-59.1-1000117.4
179W30.7Very low26.4Very low164 Ų164113.1 Ų113.162%0.62158%0.582SS**EExtended strand (participates in β ladder)trans-123.4132167.5-63.971.5000109.9V176 V197V176-W179 HydrophobicContact CG1-CZ2 3.91Å; W179-V197 HydrophobicContact CE3-CG1 3.88Å; W179-V197 HydrophobicContact CZ3-CG1 4.25Å
180T30.2Very low26.5Very low45 Ų45113.5 Ų113.528%0.27658%0.584SS.*EExtended strand (participates in β ladder)trans-112.7116.5172.7-55.20000109.3F182 V198T180-F182 HydrophobicContact CG2-CD2 4.01Å; T180-F182 HydrophobicContact CG2-CE1 4.18Å; T180-F182 HydrophobicContact CG2-CE2 3.41Å; T180-F182 VanDerWaalsContact CG2-CE2 3.41Å; T180-F182 HydrophobicContact CG2-CZ 3.51Å; T180-V198 CarbonylContact C-O 3.54Å; T180-V198 WeakPolarHBondContact CA-O 3.33Å; T180-V198 WeakPolarHBondContact CB-O 3.45Å; T180-V198 PolarHBondContact N-O 3.41Å; T180-V198 PolarHBondContact O-N 3.35Å; T180-V198 VanDerWaalsContact O-N 3.1Å
181L30.7Very low26.7Very low59 Ų59111.7 Ų111.731%0.30958%0.575SS.*EExtended strand (participates in β ladder)trans-90.3116.1176.9-175.571.7000109.6C160 V183 V197C160-L181 HydrophobicContact CB-CB 4.25Å; C160-L181 HydrophobicContact CB-CD2 4.14Å; L181-V183 HydrophobicContact CD2-CG2 3.97Å; L181-V183 HydrophobicContact CG-CG2 4.05Å; L181-V197 HydrophobicContact CD1-CB 4.32Å; L181-V197 HydrophobicContact CD1-CG1 4.18Å; L181-V197 HydrophobicContact CD1-CG2 3.75Å
182F31Very low27Very low71 Ų71109.8 Ų109.831%0.31157%0.572SS.*EExtended strand (participates in β ladder)trans-101.4102.8174.4-67.7-84000109.7T180 L184 L196 V198T180-F182 HydrophobicContact CG2-CD2 4.01Å; T180-F182 HydrophobicContact CG2-CE1 4.18Å; T180-F182 HydrophobicContact CG2-CE2 3.41Å; T180-F182 VanDerWaalsContact CG2-CE2 3.41Å; T180-F182 HydrophobicContact CG2-CZ 3.51Å; F182-L184 PolarHBondContact O-N 3.45Å; F182-L196 CarbonylContact C-O 3.54Å; F182-L196 PolarHBondContact N-O 2.79Å; F182-L196 PolarHBondContact O-N 3.24Å; F182-V198 HydrophobicContact CD2-CB 4Å; F182-V198 HydrophobicContact CD2-CG2 4.07Å; F182-V198 HydrophobicContact CE2-CB 4.05Å; F182-V198 HydrophobicContact CE2-CG2 4.48Å
183V32.7Very low27.4Very low27 Ų27107.4 Ų107.416%0.16456%0.558CS.*EExtended strand (participates in β ladder)trans-89.193.9173.6-171.60000108.4I158 L181 K185 L195I158-V183 HydrophobicContact CB-CB 4.26Å; I158-V183 PolarHBondContact O-N 2.65Å; L181-V183 HydrophobicContact CD2-CG2 3.97Å; L181-V183 HydrophobicContact CG-CG2 4.05Å; V183-K185 PolarHBondContact O-N 2.93Å; V183-L195 HydrophobicContact CB-CD2 4.41Å; V183-L195 HydrophobicContact CG1-CD2 4.12Å; V183-L195 HydrophobicContact CG2-CD2 3.87Å
184L30Very low28Very low55 Ų5599.3 Ų99.329%0.28854%0.537SS..  trans-78.3101.5168.2-96.7113.2000109.5L157 F182 I186L157-L184 HydrophobicContact CD2-CD1 4.44Å; L157-L184 HydrophobicContact CD2-CG 4.28Å; F182-L184 PolarHBondContact O-N 3.45Å; L184-I186 HydrophobicContact CB-CG1 4.3Å; L184-I186 HydrophobicContact CD2-CD1 4.23Å; L184-I186 HydrophobicContact CD2-CG1 4.1Å; L184-I186 PolarHBondContact O-N 3.39Å
185K31.4Very low28.4Very low94 Ų9496.5 Ų96.541%0.40952%0.522SS..  trans-80.694.4164.5-173.4-180-174-105.30108.6P155 V183 D187P155-K185 WeakPolarHBondContact CB-O 3.2Å; P155-K185 WeakPolarHBondContact CG-O 3.03Å; V183-K185 PolarHBondContact O-N 2.93Å; K185-D187 WeakPolarHBondContact CE-OD1 3.27Å; K185-D187 IonicContact NZ-OD1 2.64Å; K185-D187 PolarHBondContact NZ-OD1 3.05Å; K185-D187 IonicContact NZ-OD2 3Å; K185-D187 PolarHBondContact NZ-OD2 2.87Å
186I28.3Very low28.8Very low76 Ų7691.4 Ų91.439%0.3950%0.501SS..  trans-89.2104.2171.6-53.5176.6000107.7L184 L188L184-I186 HydrophobicContact CB-CG1 4.3Å; L184-I186 HydrophobicContact CD2-CD1 4.23Å; L184-I186 HydrophobicContact CD2-CG1 4.1Å; L184-I186 PolarHBondContact O-N 3.39Å; I186-L188 VanDerWaalsContact C-N 3.32Å; I186-L188 HydrophobicContact CG2-CB 4.41Å; I186-L188 HydrophobicContact CG2-CD1 3.59Å; I186-L188 HydrophobicContact CG2-CG 3.71Å; I186-L188 PolarHBondContact O-N 3.38Å
187D30.3Very low29.2Very low117 Ų11789.1 Ų89.163%0.62649%0.487SS*.  trans-77.384.1170.7-74.3-50.3000109.7K185K185-D187 WeakPolarHBondContact CE-OD1 3.27Å; K185-D187 IonicContact NZ-OD1 2.64Å; K185-D187 PolarHBondContact NZ-OD1 3.05Å; K185-D187 IonicContact NZ-OD2 3Å; K185-D187 PolarHBondContact NZ-OD2 2.87Å
188L25.9Very low29.6Very low102 Ų10287.6 Ų87.653%0.53447%0.474SS..  trans-102.6136.7168.4-87.2162.9000108.9I186 H190 A191I186-L188 VanDerWaalsContact C-N 3.32Å; I186-L188 HydrophobicContact CG2-CB 4.41Å; I186-L188 HydrophobicContact CG2-CD1 3.59Å; I186-L188 HydrophobicContact CG2-CG 3.71Å; I186-L188 PolarHBondContact O-N 3.38Å; L188-H190 PolarHBondContact O-N 2.97Å; L188-A191 HydrophobicContact CB-CB 3.74Å; L188-A191 HydrophobicContact CD1-CB 3.97Å; L188-A191 PolarHBondContact O-N 3.28Å
189P24.6Very low29.7Very low113 Ų11383.1 Ų83.173%0.73445%0.454SS*.THydrogen-bonded Turntrans-63.8-9.9-171.423.4-33.5000115.4
190H25.9Very low29.5Very low192 Ų19281 Ų8189%0.88946%0.455SS*.THydrogen-bonded Turntrans-140.612.4-177-60.9-58.2000115.1L188L188-H190 PolarHBondContact O-N 2.97Å
191A25.7Very low29.5Very low59 Ų5988.3 Ų88.349%0.48848%0.483SS..  trans-125.6150.9-16700000115.6L188L188-A191 HydrophobicContact CB-CB 3.74Å; L188-A191 HydrophobicContact CD1-CB 3.97Å; L188-A191 PolarHBondContact O-N 3.28Å
192A27.6Very low29.3Very low86 Ų8690.8 Ų90.871%0.71150%0.496SS*.  trans-70.4154.2-175.900000113.8T194A192-T194 PolarHBondContact O-N 3.35Å
193L29.1Very low29Very low106 Ų10692.3 Ų92.356%0.55552%0.522SS*.  trans-82.2107.9179.3-170.4146.7000110.8L195L193-L195 HydrophobicContact CD2-CG 4.21Å
194T32.5Very low28.7Very low84 Ų8496.6 Ų96.652%0.51554%0.54SS..  trans-89.3114.7-179.4-52.20000111.6A192A192-T194 PolarHBondContact O-N 3.35Å
195L31.1Very low28.6Very low94 Ų94105.9 Ų105.949%0.49257%0.571SS.*EExtended strand (participates in β ladder)trans-84.7124.3170.5-86.6154.6000110.4V183 L193V183-L195 HydrophobicContact CB-CD2 4.41Å; V183-L195 HydrophobicContact CG1-CD2 4.12Å; V183-L195 HydrophobicContact CG2-CD2 3.87Å; L193-L195 HydrophobicContact CD2-CG 4.21Å
196L31.5Very low28.4Very low82 Ų82106.6 Ų106.643%0.42958%0.575SS.*EExtended strand (participates in β ladder)trans-111.3113176.5-157.784.1000110.3F182 V198F182-L196 CarbonylContact C-O 3.54Å; F182-L196 PolarHBondContact N-O 2.79Å; F182-L196 PolarHBondContact O-N 3.24Å; L196-V198 HydrophobicContact CD2-CG2 3.78Å; L196-V198 HydrophobicContact CG-CG2 4.03Å
197V33.1Very low28.3Very low48 Ų48105.5 Ų105.529%0.29157%0.574SS.*EExtended strand (participates in β ladder)trans-99.6123.2175-162.50000108.4W179 L181W179-V197 HydrophobicContact CE3-CG1 3.88Å; W179-V197 HydrophobicContact CZ3-CG1 4.25Å; L181-V197 HydrophobicContact CD1-CB 4.32Å; L181-V197 HydrophobicContact CD1-CG1 4.18Å; L181-V197 HydrophobicContact CD1-CG2 3.75Å
198V31.6Very low28.2Very low52 Ų52103.9 Ų103.932%0.31558%0.576SS.*EExtended strand (participates in β ladder)trans-130.4115.8-179.4-173.70000109.7T180 F182 L196T180-V198 CarbonylContact C-O 3.54Å; T180-V198 WeakPolarHBondContact CA-O 3.33Å; T180-V198 WeakPolarHBondContact CB-O 3.45Å; T180-V198 PolarHBondContact N-O 3.41Å; T180-V198 PolarHBondContact O-N 3.35Å; T180-V198 VanDerWaalsContact O-N 3.1Å; F182-V198 HydrophobicContact CD2-CB 4Å; F182-V198 HydrophobicContact CD2-CG2 4.07Å; F182-V198 HydrophobicContact CE2-CB 4.05Å; F182-V198 HydrophobicContact CE2-CG2 4.48Å; L196-V198 HydrophobicContact CD2-CG2 3.78Å; L196-V198 HydrophobicContact CG-CG2 4.03Å
199G29.4Very low28.2Very low19 Ų19101.6 Ų101.620%0.19657%0.565CS.*EExtended strand (participates in β ladder)trans-111.9144.9175.900000111.6K201 L202G199-K201 PolarHBondContact O-N 3.03Å; G199-L202 PolarHBondContact O-N 2.94Å
200D27.9Very low28.3Very low120 Ų120102.3 Ų102.364%0.64255%0.553SS**THydrogen-bonded Turntrans-68.319.9-167.1-74.9-31.1000116.2
201K28.6Very low28.4Very low199 Ų19998.6 Ų98.687%0.86554%0.539SS*.THydrogen-bonded Turntrans-136.8-8.8173.4-81-156.8170-169.10117G199G199-K201 PolarHBondContact O-N 3.03Å
202L26.2Very low28.4Very low111 Ų111103.3 Ų103.358%0.58156%0.555SS**BIsolated β-bridgetrans-146.7100.1175.5-90.8161.3000109.8G199 Q204G199-L202 PolarHBondContact O-N 2.94Å; L202-Q204 HydrophobicContact CD2-CG 3.92Å; L202-Q204 PolarHBondContact O-N 2.84Å
203A25.8Very low28.4Very low102 Ų102108.7 Ų108.784%0.84356%0.557SS**  trans-74.949.816200000110.7R205A203-R205 PolarHBondContact O-N 3Å
204Q26.4Very low28.2Very low118 Ų118111 Ų11155%0.55157%0.57SS**  trans-69.9123.6166.9-91.7176.5-800108.1L202 F206L202-Q204 HydrophobicContact CD2-CG 3.92Å; L202-Q204 PolarHBondContact O-N 2.84Å; Q204-F206 VanDerWaalsContact C-N 3.31Å; Q204-F206 HydrophobicContact CB-CE2 4.17Å; Q204-F206 WeakPolarHBondContact O-CD2 3.32Å; Q204-F206 PolarHBondContact O-N 3.39Å
205R28.1Very low27.9Very low250 Ų250111 Ų11194%0.94357%0.573SS**  trans-61.995.3166.3-82.2178.6165.5171.6-4.8108.4A203 S207A203-R205 PolarHBondContact O-N 3Å; R205-S207 VanDerWaalsContact C-N 3.35Å; R205-S207 PolarHBondContact O-N 2.78Å
206F27.3Very low27.5Very low109 Ų109109.9 Ų109.948%0.47858%0.584SS.*  trans-69.197.5162.9-72.1-82.3000108.2Q204Q204-F206 VanDerWaalsContact C-N 3.31Å; Q204-F206 HydrophobicContact CB-CE2 4.17Å; Q204-F206 WeakPolarHBondContact O-CD2 3.32Å; Q204-F206 PolarHBondContact O-N 3.39Å
207S26Very low27.2Very low53 Ų53121.3 Ų121.337%0.37162%0.621SS.*  trans-58.1149.8150.4-169.40000108.3R205 D209R205-S207 VanDerWaalsContact C-N 3.35Å; R205-S207 PolarHBondContact O-N 2.78Å; S207-D209 PolarHBondContact O-N 2.84Å
208A28.4Very low26.9Very low82 Ų82125 Ų12568%0.67864%0.638SS**THydrogen-bonded Turntrans-64.8-0.7-16400000115.9
209D26.3Very low26.6Very low54 Ų54128.8 Ų128.829%0.28966%0.655SS.*THydrogen-bonded Turntrans-107.18.1-162.7-49.9-29.7000113.7I20 V21 S207I20-D209 VanDerWaalsContact CA-OD2 3.29Å; I20-D209 WeakPolarHBondContact CA-OD2 2.98Å; I20-D209 WeakPolarHBondContact CB-OD2 3.48Å; I20-D209 WeakPolarHBondContact CG2-OD2 3.29Å; V21-D209 VanDerWaalsContact N-CG 3.29Å; V21-D209 PolarHBondContact N-OD2 3.49Å; V21-D209 VanDerWaalsContact O-CG 3.31Å; S207-D209 PolarHBondContact O-N 2.84Å
210R26.8Very low26.5Very low129 Ų129134.9 Ų134.949%0.48768%0.68SS.*  trans-121.217.1177.9-74.2-171.3169.9-151.1-8.5114.8H17 G18 S19 L212H17-R210 PolarHBondContact O-NH2 3.23Å; G18-R210 VanDerWaalsContact C-CZ 3.44Å; G18-R210 PolarHBondContact O-NE 3.47Å; G18-R210 VanDerWaalsContact O-NE 3.11Å; G18-R210 PolarHBondContact O-NH2 3.11Å; S19-R210 VanDerWaalsContact N-NH2 3.12Å; S19-R210 PolarHBondContact O-NE 2.99Å; R210-L212 PolarHBondContact O-N 3.23Å
211L26.9Very low26.4Very low113 Ų113135.8 Ų135.859%0.59268%0.682SS**  trans-77.955.2166.8-81.7167000111.8W213L211-W213 VanDerWaalsContact C-N 3.32Å; L211-W213 PolarHBondContact O-N 2.86Å
212L25.3Very low26.2Very low159 Ų159131.9 Ų131.983%0.83267%0.671SS**  trans-73.485.2166-88.4162.1000109.3R210 N214R210-L212 PolarHBondContact O-N 3.23Å; L212-N214 PolarHBondContact O-N 3.28Å
213W28.8Very low26.2Very low199 Ų199133.3 Ų133.375%0.75468%0.677SS**  trans-82.698.7170-155.7-49.7000109.8L211 C215L211-W213 VanDerWaalsContact C-N 3.32Å; L211-W213 PolarHBondContact O-N 2.86Å; W213-C215 PolarHBondContact O-N 3.46Å
214N23.7Very low26.3Very low154 Ų154135.5 Ų135.582%0.82467%0.665SS**  trans-63.497.6165.2-99.9-15.8000109.8L212L212-N214 PolarHBondContact O-N 3.28Å
215C26Very low26.3Very low85 Ų85136.8 Ų136.857%0.57467%0.674SS**  trans-94103.6157.1-85.90000107.3W213W213-C215 PolarHBondContact O-N 3.46Å
216G23.3Very low26.1Very low70 Ų70127.4 Ų127.472%0.72265%0.651SS**  trans-63.2136.1-171.300000114.2
217R24.6Very low26Very low322 Ų322129.1 Ų129.1100%1.21567%0.667SS**  -104.3098.1-76-174.5176.2-177.3-1.1108.3

Retrieved 217 of 217 residues in 127 ms (Link to these results)