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AP2-EREBP transcription factor

Probably acts as a transcriptional activator. Binds to the GCC-box pathogenesis-related promoter element. May be involved in the regulation of gene expression by stress factors and by components of stress signal transduction pathways.

AlphaFold DB , UniProt , Accession A0A060D7N5, Species MAIZE (Zea mays, Maize), Gene EREB47, Length 252 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
1M46.3Very low47Very low236 Ų236166.7 Ų166.7100%1.16386%0.859SS**  093.70-74.4160.9166.800105.6
2Q45.4Very low46.4Very low202 Ų202162.5 Ų162.594%0.94486%0.855SS**  45.7109.697.5-62.5-174.81400109.8
3G39.7Very low46.4Very low76 Ų76157.8 Ų157.878%0.78485%0.854SS**  cis114.195.923.900000107.3
4E48.9Very low46.2Very low169 Ų169154.6 Ų154.679%0.7986%0.859SS**  trans-144128.1179.3-86.5-154.7117.700112.7
5Y46.1Very low45.9Very low192 Ų192150.8 Ų150.875%0.75386%0.856SS**  trans52.2119.4150.2-70.8-92.5000121
6R52.5Low45.6Very low240 Ų240147.8 Ų147.891%0.90686%0.856SS**  -171.7136.897.8-99.7179.1177.2101.4-1.7113.9
7S46.8Very low45.5Very low110 Ų110145.3 Ų145.377%0.76986%0.856SS**  trans-44.4137.9164.6176.90000114.8
8S50Low45.3Very low105 Ų105143.2 Ų143.273%0.73486%0.858SS**  175.7146.9123.5-100.70000112.6
9S46.4Very low45.1Very low109 Ų109140.7 Ų140.776%0.76286%0.855SS**  trans84.183.7154-51.80000118.4
10E50.1Low45Very low208 Ų208138.3 Ų138.397%0.97285%0.85SS**  trans-122.981.1143.8-70.1-165.5118.500108.7
11E44.6Very low45.1Very low187 Ų187141.2 Ų141.287%0.87486%0.856SS**  trans-76.6144.6156.8-168.9179.711300107.8
12S40.2Very low45.1Very low116 Ų116134.5 Ų134.581%0.81184%0.838SS**  trans80.291.7162.5-168.30000118.6
13A46.1Very low45.1Very low102 Ų102130.2 Ų130.284%0.84383%0.828SS**  trans-1698.614500000116.3
14A43.5Very low45.2Very low112 Ų112135 Ų13593%0.92684%0.835SS**SBendtrans-109.952-175.400000113.7
15A42.4Very low44.5Very low98 Ų98131.8 Ų131.881%0.8184%0.837SS**SBendtrans-133.311.3179.200000115.5
16A41.4Very low43.9Very low103 Ų103127.1 Ų127.185%0.85184%0.838SS**  trans-130.836.1-168.700000116.1
17A42.4Very low43.1Very low105 Ų105120.3 Ų120.387%0.86883%0.834SS**  trans-131.833.7171.700000113.6A19A17-A19 VanDerWaalsContact C-N 3.3Å; A17-A19 PolarHBondContact O-N 3.06Å
18A41.8Very low42.7Very low107 Ų107120.2 Ų120.288%0.88484%0.839SS**SBendtrans-86.514.4175.100000114.1
19A42.6Very low42Very low97 Ų97120.2 Ų120.280%0.80285%0.845SS**SBendtrans-145.962.1-168.200000113.8A17A17-A19 VanDerWaalsContact C-N 3.3Å; A17-A19 PolarHBondContact O-N 3.06Å
20A43.7Very low41.5Very low91 Ų91119.6 Ų119.675%0.75285%0.847SS**  trans-171.188.4159.600000109.7
21M46.6Very low41Very low200 Ų200114.2 Ų114.299%0.98584%0.838SS**  trans171.672.1151.1-82.8-111.8145.400110.4
22A46.6Very low41.2Very low95 Ų95111.8 Ų111.879%0.78584%0.836SS**  trans-118152.8145.200000106
23P44.9Very low41.2Very low112 Ų112115.7 Ų115.773%0.72784%0.838SS**  cis-138.1146.15.437.3-18000114.9
24L42.4Very low41Very low177 Ų177119.5 Ų119.593%0.92784%0.841SS**SBendtrans-147.746.1152.2-155.878.6000111.9
25A34.2Very low41Very low102 Ų102122.4 Ų122.484%0.84384%0.835SS**SBendtrans-126.549.7169.600000109.4
26A32.4Very low41.1Very low94 Ų94122.7 Ų122.778%0.77784%0.837SS**SBendtrans-170.261.2176.700000113.2
27A36.1Very low41.3Very low97 Ų97126.1 Ų126.180%0.80284%0.836SS**SBendtrans-163.255168.800000114.1
28A37.5Very low41.3Very low108 Ų108128 Ų12889%0.89383%0.827SS**SBendtrans-163.630.7155.200000111.8
29A37Very low41.4Very low104 Ų104128.1 Ų128.186%0.8683%0.827SS**  trans-120.960.4179.300000109.3
30A33.9Very low41.7Very low97 Ų97127.6 Ų127.680%0.80282%0.823SS**  trans-171.3106.2168.500000108.6
31A41.4Very low41.7Very low94 Ų94131.2 Ų131.278%0.77783%0.827SS**  trans157.9122.5139.400000112.4
32V47.8Very low41.7Very low137 Ų137126.5 Ų126.583%0.8382%0.82SS**  trans70.793.8157.5-156.70000115.7
33K40.6Very low41.7Very low197 Ų197127.5 Ų127.586%0.85782%0.821SS**  53.2106.153.3-129.4-174.9-172.9-169.50113.5
34M41.4Very low41.7Very low182 Ų182126.7 Ų126.790%0.89782%0.823SS**  trans84.192.9169.5-54.5-160.5125.800118.2
35E44Very low41.8Very low173 Ų173123.2 Ų123.281%0.80882%0.821SS**  trans-170.858.4150.4-125.7-178.5123.900111.7
36A44.8Very low42.7Very low104 Ų104122.9 Ų122.986%0.8682%0.818SS**SBendtrans-109.56.8-176.200000114.8
37E45.2Very low43.4Very low176 Ų176123.5 Ų123.582%0.82281%0.814SS**SBendtrans-122.8-6.4-175.6-76.5-178.3124.100115.5
38Q41.6Very low43.7Very low145 Ų145127.5 Ų127.568%0.67882%0.816SS**G310 helixtrans-87.9-5.1-175.8-77.6-175.17.900115.7A40Q38-A40 VanDerWaalsContact C-N 3.26Å; Q38-A40 PolarHBondContact O-N 3.02Å
39A44.4Very low44.3Very low108 Ų108131 Ų13189%0.89382%0.819SS**G310 helixtrans-76.7-7.6177.800000114.3
40A48.5Very low44.5Very low87 Ų87129.3 Ų129.372%0.71981%0.811SS**G310 helixtrans-97.5-12.9-178.500000114.7Q38Q38-A40 VanDerWaalsContact C-N 3.26Å; Q38-A40 PolarHBondContact O-N 3.02Å
41M44.7Very low45.1Very low166 Ų166130.9 Ų130.982%0.81882%0.816SS**SBendtrans-98.3-7.7-171.8-67.2-178.382.800115.5
42A45.7Very low45.2Very low102 Ų102130.2 Ų130.284%0.84381%0.811SS**THydrogen-bonded Turntrans-94.59.1-175.100000115.4
43S47.6Very low45.2Very low116 Ų116131.5 Ų131.581%0.81181%0.807SS**THydrogen-bonded Turntrans-115.99.9-173.8-169.90000115
44A43.9Very low45.3Very low94 Ų94130.5 Ų130.578%0.77781%0.806SS**  trans-13467.6-17300000112.7
45A44.8Very low45.3Very low105 Ų105127.7 Ų127.787%0.86879%0.79SS**  trans-142.8101.616200000109.1
46A52.6Low45.3Very low95 Ų95128.4 Ų128.479%0.78579%0.793SS**  trans-80.8-169.7178.900000110.1
47P48Very low45.4Very low107 Ų107132.6 Ų132.670%0.69580%0.795SS**  cis-139.4169.8-47.940.6-22.9000113.9
48Q42.3Very low45.1Very low181 Ų181130 Ų13085%0.84678%0.783SS**  trans39127.1152.4-6.4-16052.700122.4
49L50.4Low45.1Very low182 Ų182131 Ų13195%0.95379%0.787SS**  trans163.2104.5141.2-87.1157000105.3
50G41.9Very low45.2Very low68 Ų68135.1 Ų135.170%0.70179%0.788SS**  104.3110.276.700000109.4
51S46.2Very low45.1Very low130 Ų130139.2 Ų139.291%0.90979%0.792SS**  trans145.9124.1146.1-67.60000112.7
52A42.8Very low45Very low79 Ų79139.3 Ų139.365%0.65379%0.792SS**  trans-70.2174.6177.400000112.5
53H47.3Very low45Very low165 Ų165141.4 Ų141.476%0.76479%0.785SS**  trans110.9116.5163.7-53.195.3000115.7
54Q42.5Very low44.9Very low175 Ų175140.4 Ų140.482%0.81878%0.776SS**  trans81.274.4158.2-54.6-179.738.600120.6
55H41.3Very low45.6Very low123 Ų123147.9 Ų147.957%0.56978%0.784SS**  trans-147.375.8162.9-69-58.4000114.4H57 Q58H55-H57 VanDerWaalsContact C-N 3.32Å; H55-Q58 HydrophobicContact CB-CB 4.39Å; H55-Q58 HydrophobicContact CB-CG 4.46Å; H55-Q58 PolarHBondContact CE1-NE2 2.91Å; H55-Q58 VanDerWaalsContact ND1-CD 3.34Å; H55-Q58 PolarHBondContact ND1-NE2 2.89Å
56Q45.7Very low46.5Very low189 Ų189153 Ų15388%0.88378%0.78SS**SBendtrans-86.93160.4-72.5-163.913.100113.4
57H46Very low48.1Very low192 Ų192153.2 Ų153.289%0.88977%0.765SS**SBendtrans-118.616.7-178.7-73.2-60.6000115.6H55H55-H57 VanDerWaalsContact C-N 3.32Å
58Q39.6Very low50.2Low122 Ų122151.3 Ų151.357%0.5775%0.745SS**  trans-117.99.8-179.2-66.2-159.918.900116.1H55 Q60H55-Q58 HydrophobicContact CB-CB 4.39Å; H55-Q58 HydrophobicContact CB-CG 4.46Å; H55-Q58 PolarHBondContact CE1-NE2 2.91Å; H55-Q58 VanDerWaalsContact ND1-CD 3.34Å; H55-Q58 PolarHBondContact ND1-NE2 2.89Å; Q58-Q60 PolarHBondContact O-N 3.09Å
59H40.4Very low52.5Low165 Ų165147 Ų14776%0.76472%0.721SS**THydrogen-bonded Turntrans-73.25.3-177.9-80-59.1000116.2
60Q47.3Very low54.5Low195 Ų195139.7 Ų139.791%0.91169%0.689SS**THydrogen-bonded Turntrans-99.9-7.8177.3-76.2177.155.600114.9Q58Q58-Q60 PolarHBondContact O-N 3.09Å
61Q46.8Very low57Low172 Ų172137 Ų13780%0.80466%0.659SS**SBendtrans-109.9-1.3-173.9-63.9-159.53700116.2
62M41.6Very low59.3Low168 Ų168135 Ų13583%0.82863%0.632SS**  trans-145.359-177.9-69.9-71.5153.400111.9P64M62-P64 WeakPolarHBondContact O-CD 3.32Å
63Q46.6Very low61.7Low146 Ų146137 Ų13768%0.68263%0.629SS**  trans-69.4120.3159.3-74.6-767.400107.2R65Q63-R65 PolarHBondContact O-N 3.05Å
64P45.9Very low63.9Low96 Ų96135 Ų13562%0.62362%0.615SS**  trans-63.9101.3-174.324.7-33.5000110.2M62 R66M62-P64 WeakPolarHBondContact O-CD 3.32Å; P64-R66 PolarHBondContact O-N 2.73Å
65R57.5Low66.2Low251 Ų251137.2 Ų137.295%0.94762%0.621SS**SBendtrans37.523.9163.2-63.7-117.3169141.5-1.2117.5Q63 Q67Q63-R65 PolarHBondContact O-N 3.05Å; R65-Q67 PolarHBondContact O-N 2.84Å; R65-Q67 VanDerWaalsContact O-N 3.08Å
66R64.6Low68.5Low211 Ų211141 Ų14180%0.79663%0.631SS**  trans-76105176.8-85.8178172.7-105.10.4106.9P64 Y68P64-R66 PolarHBondContact O-N 2.73Å; R66-Y68 PolarHBondContact O-N 2.81Å
67Q85.3Confident70.6Confident100 Ų100134.2 Ų134.247%0.46761%0.612SS.*PPolyproline II helixtrans-49.5124.8173-175.96334.100109.6R65 V71R65-Q67 PolarHBondContact O-N 2.84Å; R65-Q67 VanDerWaalsContact O-N 3.08Å; Q67-V71 PolarHBondContact NE2-O 3.45Å
68Y91.8Very high72.9Confident68 Ų68129.1 Ų129.127%0.26759%0.587SS.*PPolyproline II helixtrans-61.1141.5174.3-64.2-74.7000110.6R66 G70 V71 A100 V101 A104 N122 F123R66-Y68 PolarHBondContact O-N 2.81Å; Y68-G70 PolarHBondContact O-N 2.69Å; Y68-V71 PolarHBondContact O-N 2.68Å; Y68-A100 HydrophobicContact CD2-CB 3.79Å; Y68-A100 HydrophobicContact CE2-CB 3.72Å; Y68-V101 HydrophobicContact CE2-CG2 4.21Å; Y68-A104 HydrophobicContact CD1-CB 3.78Å; Y68-A104 HydrophobicContact CD2-CB 4.03Å; Y68-A104 HydrophobicContact CE1-CB 4.44Å; Y68-A104 HydrophobicContact CG-CB 3.54Å; Y68-N122 HydrophobicContact CD1-CB 4.11Å; Y68-F123 HydrophobicContact CD1-CZ 4.24Å; Y68-F123 AromaticContact CE1-CE1 3.96Å; Y68-F123 HydrophobicContact CE1-CE1 3.96Å; Y68-F123 AromaticContact CE1-CZ 3.76Å; Y68-F123 HydrophobicContact CE1-CZ 3.76Å
69R91.7Very high75.5Confident91 Ų91126 Ų12634%0.34357%0.57SS.*THydrogen-bonded Turntrans-62136.5177.6-63.6171.957.8-115.60.6109.3V71 Y107 R120 N122R69-V71 PolarHBondContact O-N 3.12Å; R69-Y107 HydrophobicContact CB-CE1 4.08Å; R69-Y107 WeakPolarHBondContact O-CD1 3.46Å; R69-Y107 WeakPolarHBondContact O-CE1 3.16Å; R69-R120 PolarHBondContact NH1-O 3.13Å; R69-N122 VanDerWaalsContact CB-OD1 3.27Å; R69-N122 WeakPolarHBondContact CB-OD1 3.47Å; R69-N122 PolarHBondContact N-OD1 2.65Å; R69-N122 PolarHBondContact O-ND2 3.18Å; R69-N122 VanDerWaalsContact O-ND2 3.11Å
70G92.2Very high78.1Confident28 Ų28118.2 Ų118.229%0.28953%0.534SS..THydrogen-bonded Turntrans73.30.4-179.700000115.3Y68 A81 E82 Y107Y68-G70 PolarHBondContact O-N 2.69Å; G70-A81 WeakPolarHBondContact O-CA 3.49Å; G70-E82 PolarHBondContact O-N 2.79Å; G70-Y107 VanDerWaalsContact CA-CE2 3.47Å
71V94.7Very high80.4Confident10 Ų10109 Ų1096%0.06149%0.491CS..EExtended strand (participates in β ladder)trans-104.6142176.5-176.30000109Q67 Y68 R69 W79 V80 A103 A104Q67-V71 PolarHBondContact NE2-O 3.45Å; Y68-V71 PolarHBondContact O-N 2.68Å; R69-V71 PolarHBondContact O-N 3.12Å; V71-W79 HydrophobicContact CG1-CB 4.15Å; V71-W79 HydrophobicContact CG1-CD2 4.48Å; V71-W79 HydrophobicContact CG1-CE3 3.69Å; V71-V80 WeakPolarHBondContact CA-O 3.42Å; V71-A103 HydrophobicContact CB-CB 4.35Å; V71-A103 HydrophobicContact CG1-CB 3.65Å; V71-A103 HydrophobicContact CG2-CB 3.76Å; V71-A104 HydrophobicContact CG2-CB 3.94Å
72R93.6Very high82.7Confident89 Ų89102.8 Ų102.834%0.33646%0.462SS..EExtended strand (participates in β ladder)trans-137142.8169.561.2179.8-179.7730.8111.2V80 E82R72-V80 HydrophobicContact CG-CB 4.06Å; R72-V80 PolarHBondContact N-O 2.93Å; R72-V80 PolarHBondContact O-N 3.36Å; R72-E82 IonicContact CZ-OE2 2.85Å; R72-E82 IonicContact NE-OE2 2.63Å; R72-E82 PolarHBondContact NE-OE2 2.91Å; R72-E82 VanDerWaalsContact NE-OE2 3.12Å; R72-E82 IonicContact NH2-OE2 3.05Å; R72-E82 PolarHBondContact NH2-OE2 3.33Å
73M93.3Very high85.1Confident120 Ų12095.1 Ų95.159%0.59142%0.424SS*.EExtended strand (participates in β ladder)trans-90.1126172.1-167.6168.367.200109.6W79M73-W79 HydrophobicContact CB-CD2 4.41Å; M73-W79 HydrophobicContact CB-CE3 3.93Å; M73-W79 HydrophobicContact CB-CH2 4.25Å; M73-W79 HydrophobicContact CB-CZ3 3.86Å; M73-W79 HydrophobicContact CG-CD2 4.45Å; M73-W79 HydrophobicContact CG-CE3 4.44Å; M73-W79 HydrophobicContact CG-CH2 4.45Å; M73-W79 HydrophobicContact CG-CZ2 4.42Å; M73-W79 HydrophobicContact CG-CZ3 4.46Å; M73-W79 HydrophobicContact SD-CH2 3.84Å; M73-W79 HydrophobicContact SD-CZ2 3.68Å; M73-W79 HydrophobicContact SD-CZ3 4.4Å
74R93.1Very high87.3Confident125 Ų12595.9 Ų95.947%0.47242%0.421SS..  trans-88.6155.6172.3-172.5179.2-82.1146.9-8.5109.3W76 G77 K78R74-W76 HydrophobicContact CG-CB 4.41Å; R74-W76 PolarHBondContact O-N 3.27Å; R74-G77 PolarHBondContact O-N 3.2Å; R74-K78 PolarHBondContact N-O 2.64Å
75K92Very high89.1Confident220 Ų22092.4 Ų92.496%0.95740%0.396SS*.THydrogen-bonded Turntrans-52.4-22.2171.967.1175.1-177.9175.80115.1G77K75-G77 PolarHBondContact O-N 3.17Å
76W88Confident90.1Very high203 Ų20383.9 Ų83.977%0.76937%0.374SS*.THydrogen-bonded Turntrans-73.4-4173.8-177.1-112.3000113.6R74 K78R74-W76 HydrophobicContact CG-CB 4.41Å; R74-W76 PolarHBondContact O-N 3.27Å; W76-K78 VanDerWaalsContact C-N 3.34Å; W76-K78 VanDerWaalsContact CD1-CG 3.5Å; W76-K78 PolarHBondContact O-N 3.29Å
77G90.6Very high91Very high47 Ų4783.3 Ų83.349%0.48538%0.38SS..SBendtrans79.313.6-179.900000114.6R74 K75R74-G77 PolarHBondContact O-N 3.2Å; K75-G77 PolarHBondContact O-N 3.17Å
78K93.5Very high91Very high85 Ų8583.4 Ų83.437%0.3738%0.379SS..  trans-102.5141.8172.9-63.3-67.3-175.5179.80111.1R74 W76R74-K78 PolarHBondContact N-O 2.64Å; W76-K78 VanDerWaalsContact C-N 3.34Å; W76-K78 VanDerWaalsContact CD1-CG 3.5Å; W76-K78 PolarHBondContact O-N 3.29Å
79W94.9Very high90.7Very high56 Ų5691.4 Ų91.421%0.21241%0.408CS..EExtended strand (participates in β ladder)trans-87.5128.1174-59.288.6000108.8V71 M73 S96 Y97 T99 A100 A103V71-W79 HydrophobicContact CG1-CB 4.15Å; V71-W79 HydrophobicContact CG1-CD2 4.48Å; V71-W79 HydrophobicContact CG1-CE3 3.69Å; M73-W79 HydrophobicContact CB-CD2 4.41Å; M73-W79 HydrophobicContact CB-CE3 3.93Å; M73-W79 HydrophobicContact CB-CH2 4.25Å; M73-W79 HydrophobicContact CB-CZ3 3.86Å; M73-W79 HydrophobicContact CG-CD2 4.45Å; M73-W79 HydrophobicContact CG-CE3 4.44Å; M73-W79 HydrophobicContact CG-CH2 4.45Å; M73-W79 HydrophobicContact CG-CZ2 4.42Å; M73-W79 HydrophobicContact CG-CZ3 4.46Å; M73-W79 HydrophobicContact SD-CH2 3.84Å; M73-W79 HydrophobicContact SD-CZ2 3.68Å; M73-W79 HydrophobicContact SD-CZ3 4.4Å; W79-S96 CarbonylContact O-C 3.5Å; W79-S96 VanDerWaalsContact O-CA 3.3Å; W79-S96 WeakPolarHBondContact O-CA 3.19Å; W79-Y97 PolarHBondContact N-O 2.88Å; W79-Y97 PolarHBondContact O-N 2.94Å; W79-T99 VanDerWaalsContact CD1-C 3.41Å; W79-A100 HydrophobicContact CD2-CB 3.58Å; W79-A100 HydrophobicContact CE3-CB 3.7Å; W79-A100 HydrophobicContact CG-CB 4.16Å; W79-A100 HydrophobicContact CH2-CB 3.94Å; W79-A100 HydrophobicContact CZ2-CB 3.85Å; W79-A100 HydrophobicContact CZ3-CB 3.87Å; W79-A103 HydrophobicContact CB-CB 3.92Å
80V95.2Very high90.5Very high2 Ų288.8 Ų88.81%0.01240%0.403CS..EExtended strand (participates in β ladder)trans-113.9133.9-178.6-177.20000109.4V71 R72V71-V80 WeakPolarHBondContact CA-O 3.42Å; R72-V80 HydrophobicContact CG-CB 4.06Å; R72-V80 PolarHBondContact N-O 2.93Å; R72-V80 PolarHBondContact O-N 3.36Å
81A96.3Very high90.5Very high0 Ų094 Ų940%041%0.413CS..EExtended strand (participates in β ladder)trans-108.5130.7172.700000110.6G70 L94 G95 Y97 A103 A106G70-A81 WeakPolarHBondContact O-CA 3.49Å; A81-L94 HydrophobicContact CB-CB 4.07Å; A81-L94 HydrophobicContact CB-CD1 4.37Å; A81-L94 WeakPolarHBondContact O-CB 3.16Å; A81-L94 PolarHBondContact O-N 3.3Å; A81-G95 PolarHBondContact N-O 2.88Å; A81-G95 VanDerWaalsContact N-O 3.09Å; A81-G95 PolarHBondContact O-N 2.6Å; A81-Y97 HydrophobicContact CB-CE2 4.14Å; A81-A103 HydrophobicContact CB-CB 4.21Å; A81-A103 WeakPolarHBondContact CB-O 3.47Å; A81-A106 HydrophobicContact CB-CB 4.48Å
82E94.3Very high90.4Very high42 Ų4293.8 Ų93.820%0.19641%0.412CS..EExtended strand (participates in β ladder)trans-146150.7174.662.5-176.3-11600110.3G70 R72 R91 I92 Y107G70-E82 PolarHBondContact O-N 2.79Å; R72-E82 IonicContact CZ-OE2 2.85Å; R72-E82 IonicContact NE-OE2 2.63Å; R72-E82 PolarHBondContact NE-OE2 2.91Å; R72-E82 VanDerWaalsContact NE-OE2 3.12Å; R72-E82 IonicContact NH2-OE2 3.05Å; R72-E82 PolarHBondContact NH2-OE2 3.33Å; E82-R91 IonicContact OE1-CZ 3.3Å; E82-R91 IonicContact OE1-NH1 3.54Å; E82-R91 PolarHBondContact OE1-NH1 2.63Å; E82-I92 WeakPolarHBondContact CA-O 3.09Å; E82-Y107 WeakPolarHBondContact O-CD2 3.48Å; E82-Y107 WeakPolarHBondContact O-CE2 3.42Å
83I93.1Very high90.4Very high7 Ų797 Ų974%0.03642%0.424CS..EExtended strand (participates in β ladder)trans-127.8143.5178.2-168.3156000111.5I92 L94 Y107 A110 V111 L114I83-I92 HydrophobicContact CG2-CB 3.71Å; I83-I92 HydrophobicContact CG2-CD1 4.14Å; I83-I92 HydrophobicContact CG2-CG1 4.31Å; I83-I92 HydrophobicContact CG2-CG2 4.39Å; I83-I92 PolarHBondContact N-O 2.99Å; I83-I92 PolarHBondContact O-N 2.91Å; I83-L94 HydrophobicContact CB-CD1 4.21Å; I83-L94 HydrophobicContact CG2-CD1 4.12Å; I83-L94 HydrophobicContact CG2-CD2 4.06Å; I83-L94 HydrophobicContact CG2-CG 4.25Å; I83-Y107 HydrophobicContact CB-CD2 4.24Å; I83-Y107 HydrophobicContact CB-CE2 3.91Å; I83-Y107 HydrophobicContact CD1-CD2 4.4Å; I83-Y107 HydrophobicContact CD1-CE2 3.92Å; I83-Y107 HydrophobicContact CG1-CE2 3.89Å; I83-A110 HydrophobicContact CD1-CB 4.03Å; I83-A110 HydrophobicContact CG2-CB 4.14Å; I83-V111 HydrophobicContact CD1-CB 4.21Å; I83-V111 HydrophobicContact CD1-CG2 3.48Å; I83-V111 VanDerWaalsContact CD1-CG2 3.48Å; I83-L114 HydrophobicContact CD1-CD1 3.45Å; I83-L114 VanDerWaalsContact CD1-CD1 3.45Å; I83-L114 HydrophobicContact CG1-CD1 3.74Å; I83-L114 HydrophobicContact CG2-CD1 4.21Å
84R91.9Very high90.5Very high162 Ų16291.3 Ų91.361%0.61140%0.396SS*.EExtended strand (participates in β ladder)trans-104.6123.8170.3-62.3-171.7-174.1-177.410.3108.1R91R84-R91 HydrophobicContact CG-CG 4.23Å
85E84.6Confident90.6Very high23 Ų2385.8 Ų85.811%0.10738%0.378CS..  trans-76.3140.6174.3-59.3-178.3-110.400109.6K88 I92 L114E85-K88 HydrophobicContact CB-CB 4.13Å; E85-K88 HydrophobicContact CB-CD 4.22Å; E85-K88 HydrophobicContact CB-CG 4.25Å; E85-K88 VanDerWaalsContact CD-NZ 3.32Å; E85-K88 HydrophobicContact CG-CD 4.49Å; E85-K88 PolarHBondContact O-N 3.01Å; E85-K88 WeakPolarHBondContact OE1-CD 3.29Å; E85-K88 IonicContact OE1-NZ 3.2Å; E85-K88 PolarHBondContact OE1-NZ 3.17Å; E85-K88 WeakPolarHBondContact OE2-CE 3.45Å; E85-K88 IonicContact OE2-NZ 2.71Å; E85-K88 PolarHBondContact OE2-NZ 3.31Å; E85-I92 HydrophobicContact CG-CD1 3.85Å; E85-I92 HydrophobicContact CG-CG1 4.44Å; E85-I92 WeakPolarHBondContact OE1-CD1 3.17Å; E85-L114 HydrophobicContact CG-CD1 3.84Å; E85-L114 HydrophobicContact CG-CD2 3.79Å
86P78.5Confident90.8Very high73 Ų7378.4 Ų78.447%0.47435%0.354SS..THydrogen-bonded Turntrans-60.9144.3165.829.2-32.5000108.7K88P86-K88 PolarHBondContact O-N 2.85Å
87H82.4Confident91.2Very high198 Ų19869 Ų6992%0.91732%0.318SS*.THydrogen-bonded Turntrans71.5-8.5-178-41.8-71.9000117.1
88K84.9Confident91.3Very high103 Ų10368.3 Ų68.345%0.44831%0.308SS..  trans-112.7140.6174.3-54.6-174.4-172159.80111.1E85 P86E85-K88 HydrophobicContact CB-CB 4.13Å; E85-K88 HydrophobicContact CB-CD 4.22Å; E85-K88 HydrophobicContact CB-CG 4.25Å; E85-K88 VanDerWaalsContact CD-NZ 3.32Å; E85-K88 HydrophobicContact CG-CD 4.49Å; E85-K88 PolarHBondContact O-N 3.01Å; E85-K88 WeakPolarHBondContact OE1-CD 3.29Å; E85-K88 IonicContact OE1-NZ 3.2Å; E85-K88 PolarHBondContact OE1-NZ 3.17Å; E85-K88 WeakPolarHBondContact OE2-CE 3.45Å; E85-K88 IonicContact OE2-NZ 2.71Å; E85-K88 PolarHBondContact OE2-NZ 3.31Å; P86-K88 PolarHBondContact O-N 2.85Å
89R87.1Confident91.3Very high236 Ų23665 Ų6589%0.89130%0.295SS*.SBendtrans-75.6-18.5171.9-169.5173.6-179.3-177.30.9112.1
90T86.6Confident91.3Very high36 Ų3663.1 Ų63.122%0.22129%0.292CS..  trans-74.1151.8-174.157.90000111.9N241T90-N241 HydrophobicContact CG2-CB 4.27Å; T90-N241 WeakPolarHBondContact CG2-OD1 3.48Å
91R91.9Very high91.2Very high137 Ų13764.6 Ų64.652%0.51730%0.3SS..EExtended strand (participates in β ladder)trans-109.7141.5171.3-54.8-166.4-172.8-165.615109.2E82 R84E82-R91 IonicContact OE1-CZ 3.3Å; E82-R91 IonicContact OE1-NH1 3.54Å; E82-R91 PolarHBondContact OE1-NH1 2.63Å; R84-R91 HydrophobicContact CG-CG 4.23Å
92I92.2Very high91.2Very high5 Ų564.6 Ų64.63%0.02630%0.3CS..EExtended strand (participates in β ladder)trans-100114.5170.5-54.5177.3000107.3E82 I83 E85 L94 A159 R163E82-I92 WeakPolarHBondContact CA-O 3.09Å; I83-I92 HydrophobicContact CG2-CB 3.71Å; I83-I92 HydrophobicContact CG2-CD1 4.14Å; I83-I92 HydrophobicContact CG2-CG1 4.31Å; I83-I92 HydrophobicContact CG2-CG2 4.39Å; I83-I92 PolarHBondContact N-O 2.99Å; I83-I92 PolarHBondContact O-N 2.91Å; E85-I92 HydrophobicContact CG-CD1 3.85Å; E85-I92 HydrophobicContact CG-CG1 4.44Å; E85-I92 WeakPolarHBondContact OE1-CD1 3.17Å; I92-L94 HydrophobicContact CG2-CD2 3.8Å; I92-A159 HydrophobicContact CD1-CB 3.7Å; I92-A159 HydrophobicContact CG1-CB 4.13Å; I92-R163 HydrophobicContact CG2-CG 3.12Å
93W94.4Very high91.3Very high158 Ų15862.6 Ų62.660%0.59829%0.291SS*.EExtended strand (participates in β ladder)trans-76.5121.7168.4176.447.3000109.3G95 R163W93-G95 PolarHBondContact NE1-O 3.33Å; W93-R163 WeakPolarHBondContact O-CD 3.38Å; W93-R163 WeakPolarHBondContact O-CG 3.02Å
94L95.5Very high91.4Very high0 Ų062.2 Ų62.20%029%0.289CS..EExtended strand (participates in β ladder)trans-97-25.9-175.3-58175.4000112.2A81 I83 I92 Y97 Y107 A110 R163 A166 I167A81-L94 HydrophobicContact CB-CB 4.07Å; A81-L94 HydrophobicContact CB-CD1 4.37Å; A81-L94 WeakPolarHBondContact O-CB 3.16Å; A81-L94 PolarHBondContact O-N 3.3Å; I83-L94 HydrophobicContact CB-CD1 4.21Å; I83-L94 HydrophobicContact CG2-CD1 4.12Å; I83-L94 HydrophobicContact CG2-CD2 4.06Å; I83-L94 HydrophobicContact CG2-CG 4.25Å; I92-L94 HydrophobicContact CG2-CD2 3.8Å; L94-Y97 PolarHBondContact O-OH 2.74Å; L94-Y107 HydrophobicContact CD1-CD2 4.21Å; L94-A110 HydrophobicContact CD1-CB 3.52Å; L94-A110 HydrophobicContact CD2-CB 3.69Å; L94-A110 HydrophobicContact CG-CB 4.26Å; L94-R163 HydrophobicContact CD2-CG 4.38Å; L94-A166 HydrophobicContact CB-CB 4.25Å; L94-A166 HydrophobicContact CD2-CB 3.87Å; L94-A166 HydrophobicContact CG-CB 4.45Å; L94-I167 WeakPolarHBondContact O-CG1 3.39Å
95G95.6Very high91.5Very high9 Ų958.5 Ų58.59%0.09328%0.275CS..EExtended strand (participates in β ladder)trans151.1-179.8176.900000113.4A81 W93A81-G95 PolarHBondContact N-O 2.88Å; A81-G95 VanDerWaalsContact N-O 3.09Å; A81-G95 PolarHBondContact O-N 2.6Å; W93-G95 PolarHBondContact NE1-O 3.33Å
96S96.1Very high92.1Very high64 Ų6457.4 Ų57.445%0.44827%0.27SS..EExtended strand (participates in β ladder)trans-131.3133.1171.7600000109W79W79-S96 CarbonylContact O-C 3.5Å; W79-S96 VanDerWaalsContact O-CA 3.3Å; W79-S96 WeakPolarHBondContact O-CA 3.19Å
97Y95.8Very high92.9Very high6 Ų655.2 Ų55.22%0.02425%0.253CS..EExtended strand (participates in β ladder)trans-129.6156.1-169.5-53.9-79.8000110.3W79 A81 L94 T99 A102 A103 A106 A166 G170 D174W79-Y97 PolarHBondContact N-O 2.88Å; W79-Y97 PolarHBondContact O-N 2.94Å; A81-Y97 HydrophobicContact CB-CE2 4.14Å; L94-Y97 PolarHBondContact O-OH 2.74Å; Y97-T99 VanDerWaalsContact C-N 3.33Å; Y97-A102 HydrophobicContact CD1-CB 4.05Å; Y97-A102 HydrophobicContact CG-CB 3.96Å; Y97-A103 HydrophobicContact CD2-CB 3.65Å; Y97-A103 HydrophobicContact CE2-CB 4.42Å; Y97-A103 HydrophobicContact CG-CB 4.39Å; Y97-A106 HydrophobicContact CE2-CB 3.71Å; Y97-A106 VanDerWaalsContact OH-CB 3.26Å; Y97-A106 WeakPolarHBondContact OH-CB 3.41Å; Y97-A166 PolarHBondContact OH-O 3.48Å; Y97-G170 VanDerWaalsContact CE1-CA 3.48Å; Y97-D174 WeakPolarHBondContact CB-OD1 3.28Å; Y97-D174 HydrophobicContact CD1-CB 4.08Å
98A93Very high93.5Very high33 Ų3346.2 Ų46.227%0.27321%0.211SC..SBendtrans-74.1-28.8173.800000111.4D174A98-D174 WeakPolarHBondContact CA-OD1 3.19Å; A98-D174 WeakPolarHBondContact CB-OD1 3.23Å; A98-D174 PolarHBondContact N-OD1 2.82Å
99T93.5Very high93.9Very high14 Ų1442.4 Ų42.49%0.08620%0.197CC..SBendtrans-112.5149.7-179.6770000113.4W79 Y97 V101 A102 A103 D174 Q177 M181W79-T99 VanDerWaalsContact CD1-C 3.41Å; Y97-T99 VanDerWaalsContact C-N 3.33Å; T99-V101 VanDerWaalsContact C-N 3.28Å; T99-V101 PolarHBondContact O-N 3.21Å; T99-A102 WeakPolarHBondContact OG1-CB 3.28Å; T99-A102 PolarHBondContact OG1-N 3.35Å; T99-A102 VanDerWaalsContact OG1-N 3.09Å; T99-A103 PolarHBondContact O-N 2.8Å; T99-D174 PolarHBondContact N-OD1 3.48Å; T99-Q177 HydrophobicContact CG2-CB 3.69Å; T99-Q177 PolarHBondContact OG1-OE1 3.07Å; T99-M181 HydrophobicContact CG2-SD 4.21Å
100A94Very high94.2Very high18 Ų1831.2 Ų31.215%0.14915%0.154CC..Hα-helixtrans-65.8-34.1175.800000112Y68 W79 A103 A104Y68-A100 HydrophobicContact CD2-CB 3.79Å; Y68-A100 HydrophobicContact CE2-CB 3.72Å; W79-A100 HydrophobicContact CD2-CB 3.58Å; W79-A100 HydrophobicContact CE3-CB 3.7Å; W79-A100 HydrophobicContact CG-CB 4.16Å; W79-A100 HydrophobicContact CH2-CB 3.94Å; W79-A100 HydrophobicContact CZ2-CB 3.85Å; W79-A100 HydrophobicContact CZ3-CB 3.87Å; A100-A103 PolarHBondContact O-N 3.32Å; A100-A104 WeakPolarHBondContact O-CB 3.1Å; A100-A104 PolarHBondContact O-N 2.99Å
101V94.1Very high94.4Very high32 Ų3229.5 Ų29.519%0.19414%0.144CC..Hα-helixtrans-71.7-42-178.3174.60000111.3Y68 T99 A103 A104 R105 F123 V173 Q177Y68-V101 HydrophobicContact CE2-CG2 4.21Å; T99-V101 VanDerWaalsContact C-N 3.28Å; T99-V101 PolarHBondContact O-N 3.21Å; V101-A103 VanDerWaalsContact C-N 3.3Å; V101-A103 PolarHBondContact O-N 3.26Å; V101-A104 PolarHBondContact O-N 3.31Å; V101-R105 PolarHBondContact O-N 3.11Å; V101-F123 HydrophobicContact CG1-CE1 4.49Å; V101-F123 HydrophobicContact CG1-CZ 3.89Å; V101-V173 HydrophobicContact CG1-CG1 4.18Å; V101-Q177 VanDerWaalsContact CG1-NE2 3.34Å
102A95.1Very high94.4Very high0 Ų025.1 Ų25.10%013%0.129CC..Hα-helixtrans-58.7-44.5173.700000111.5Y97 T99 A104 R105 A106 V173 D174Y97-A102 HydrophobicContact CD1-CB 4.05Å; Y97-A102 HydrophobicContact CG-CB 3.96Å; T99-A102 WeakPolarHBondContact OG1-CB 3.28Å; T99-A102 PolarHBondContact OG1-N 3.35Å; T99-A102 VanDerWaalsContact OG1-N 3.09Å; A102-A104 PolarHBondContact O-N 2.88Å; A102-R105 PolarHBondContact O-N 2.95Å; A102-A106 WeakPolarHBondContact O-CB 3.37Å; A102-A106 PolarHBondContact O-N 3.08Å; A102-V173 HydrophobicContact CB-CB 4.07Å; A102-V173 HydrophobicContact CB-CG1 3.91Å; A102-D174 HydrophobicContact CB-CB 3.76Å
103A96.3Very high94.2Very high0 Ų028.9 Ų28.90%014%0.143CC..Hα-helixtrans-61.6-42.5174.900000112.6V71 W79 A81 Y97 T99 A100 V101 A106 Y107V71-A103 HydrophobicContact CB-CB 4.35Å; V71-A103 HydrophobicContact CG1-CB 3.65Å; V71-A103 HydrophobicContact CG2-CB 3.76Å; W79-A103 HydrophobicContact CB-CB 3.92Å; A81-A103 HydrophobicContact CB-CB 4.21Å; A81-A103 WeakPolarHBondContact CB-O 3.47Å; Y97-A103 HydrophobicContact CD2-CB 3.65Å; Y97-A103 HydrophobicContact CE2-CB 4.42Å; Y97-A103 HydrophobicContact CG-CB 4.39Å; T99-A103 PolarHBondContact O-N 2.8Å; A100-A103 PolarHBondContact O-N 3.32Å; V101-A103 VanDerWaalsContact C-N 3.3Å; V101-A103 PolarHBondContact O-N 3.26Å; A103-A106 PolarHBondContact O-N 3.02Å; A103-Y107 PolarHBondContact O-N 3.44Å
104A95.7Very high93.9Very high0 Ų023.5 Ų23.50%013%0.126CC..Hα-helixtrans-66.7-40.5179.800000112.3Y68 V71 A100 V101 A102 Y107 D108 N122 F123Y68-A104 HydrophobicContact CD1-CB 3.78Å; Y68-A104 HydrophobicContact CD2-CB 4.03Å; Y68-A104 HydrophobicContact CE1-CB 4.44Å; Y68-A104 HydrophobicContact CG-CB 3.54Å; V71-A104 HydrophobicContact CG2-CB 3.94Å; A100-A104 WeakPolarHBondContact O-CB 3.1Å; A100-A104 PolarHBondContact O-N 2.99Å; V101-A104 PolarHBondContact O-N 3.31Å; A102-A104 PolarHBondContact O-N 2.88Å; A104-Y107 WeakPolarHBondContact O-CB 3.34Å; A104-Y107 PolarHBondContact O-N 2.86Å; A104-D108 PolarHBondContact O-N 2.85Å; A104-N122 HydrophobicContact CB-CB 4.42Å; A104-F123 HydrophobicContact CB-CE2 3.48Å; A104-F123 VanDerWaalsContact CB-CE2 3.48Å; A104-F123 HydrophobicContact CB-CZ 3.81Å
105R94.9Very high93.5Very high84 Ų8429.9 Ų29.932%0.31715%0.15SC..Hα-helixtrans-67.8-37.8176.1-77-171.2163.3-168.44.1112.6V101 A102 Y107 D108 T109 F123 E126 V169 V173V101-R105 PolarHBondContact O-N 3.11Å; A102-R105 PolarHBondContact O-N 2.95Å; R105-Y107 VanDerWaalsContact C-N 3.32Å; R105-D108 PolarHBondContact O-N 3.47Å; R105-T109 WeakPolarHBondContact O-CB 3.34Å; R105-T109 PolarHBondContact O-N 3.17Å; R105-T109 PolarHBondContact O-OG1 3.42Å; R105-F123 HydrophobicContact CB-CE2 4.45Å; R105-F123 HydrophobicContact CG-CD2 3.69Å; R105-F123 HydrophobicContact CG-CE2 3.53Å; R105-F123 HydrophobicContact CG-CZ 4.42Å; R105-E126 IonicContact CZ-OE1 3.37Å; R105-E126 IonicContact CZ-OE2 3.8Å; R105-E126 IonicContact NE-OE1 3.72Å; R105-E126 PolarHBondContact NE-OE1 3.21Å; R105-E126 IonicContact NE-OE2 3.93Å; R105-E126 PolarHBondContact NE-OE2 2.82Å; R105-E126 VanDerWaalsContact NH2-CD 3.33Å; R105-E126 IonicContact NH2-OE1 3.12Å; R105-E126 PolarHBondContact NH2-OE1 3.33Å; R105-E126 IonicContact NH2-OE2 2.75Å; R105-V169 HydrophobicContact CB-CG1 4.12Å; R105-V173 HydrophobicContact CB-CG2 4.38Å; R105-V173 VanDerWaalsContact CD-CG2 3.41Å
106A95.7Very high93Very high0 Ų030.9 Ų30.90%016%0.16CC..Hα-helixtrans-61.7-42.2171.900000111.4A81 Y97 A102 A103 A110 A166A81-A106 HydrophobicContact CB-CB 4.48Å; Y97-A106 HydrophobicContact CE2-CB 3.71Å; Y97-A106 VanDerWaalsContact OH-CB 3.26Å; Y97-A106 WeakPolarHBondContact OH-CB 3.41Å; A102-A106 WeakPolarHBondContact O-CB 3.37Å; A102-A106 PolarHBondContact O-N 3.08Å; A103-A106 PolarHBondContact O-N 3.02Å; A106-A110 PolarHBondContact O-N 2.88Å; A106-A166 HydrophobicContact CB-CB 4.36Å; A106-A166 WeakPolarHBondContact CB-O 3.33Å; A106-A166 WeakPolarHBondContact O-CB 3.38Å
107Y95.8Very high92.2Very high27 Ų2736.4 Ų36.411%0.10617%0.171CC..Hα-helixtrans-63.1-48175-178.2-100.7000112.2R69 G70 E82 I83 L94 A103 A104 R105 T109 A110 V111R69-Y107 HydrophobicContact CB-CE1 4.08Å; R69-Y107 WeakPolarHBondContact O-CD1 3.46Å; R69-Y107 WeakPolarHBondContact O-CE1 3.16Å; G70-Y107 VanDerWaalsContact CA-CE2 3.47Å; E82-Y107 WeakPolarHBondContact O-CD2 3.48Å; E82-Y107 WeakPolarHBondContact O-CE2 3.42Å; I83-Y107 HydrophobicContact CB-CD2 4.24Å; I83-Y107 HydrophobicContact CB-CE2 3.91Å; I83-Y107 HydrophobicContact CD1-CD2 4.4Å; I83-Y107 HydrophobicContact CD1-CE2 3.92Å; I83-Y107 HydrophobicContact CG1-CE2 3.89Å; L94-Y107 HydrophobicContact CD1-CD2 4.21Å; A103-Y107 PolarHBondContact O-N 3.44Å; A104-Y107 WeakPolarHBondContact O-CB 3.34Å; A104-Y107 PolarHBondContact O-N 2.86Å; R105-Y107 VanDerWaalsContact C-N 3.32Å; Y107-T109 VanDerWaalsContact C-N 3.3Å; Y107-T109 PolarHBondContact O-N 2.89Å; Y107-A110 WeakPolarHBondContact O-CA 3.45Å; Y107-A110 WeakPolarHBondContact O-CB 3.47Å; Y107-A110 PolarHBondContact O-N 3.26Å; Y107-V111 HydrophobicContact CD1-CG2 3.72Å; Y107-V111 HydrophobicContact CD2-CG2 4.46Å; Y107-V111 HydrophobicContact CE1-CG2 3.33Å; Y107-V111 HydrophobicContact CE2-CG2 4.12Å; Y107-V111 HydrophobicContact CG-CG2 4.3Å; Y107-V111 WeakPolarHBondContact O-CG2 3.46Å; Y107-V111 PolarHBondContact O-N 3.42Å
108D94.4Very high91.4Very high9 Ų941.7 Ų41.75%0.04821%0.209CC..Hα-helixtrans-59.6-42.2-179.6-76-2.9000112.1A104 R105 A110 V111 F112 L121 N122 F123A104-D108 PolarHBondContact O-N 2.85Å; R105-D108 PolarHBondContact O-N 3.47Å; D108-A110 VanDerWaalsContact C-N 3.29Å; D108-A110 PolarHBondContact O-N 3.48Å; D108-V111 PolarHBondContact O-N 3.37Å; D108-F112 WeakPolarHBondContact O-CB 3.28Å; D108-F112 PolarHBondContact O-N 3.24Å; D108-L121 HydrophobicContact CB-CB 4.16Å; D108-L121 HydrophobicContact CB-CD1 4.25Å; D108-L121 HydrophobicContact CB-CD2 4.03Å; D108-L121 HydrophobicContact CB-CG 4.37Å; D108-L121 WeakPolarHBondContact O-CD2 3.39Å; D108-N122 PolarHBondContact OD1-N 2.96Å; D108-N122 PolarHBondContact OD1-ND2 3.47Å; D108-N122 WeakPolarHBondContact OD2-CA 3.5Å; D108-N122 WeakPolarHBondContact OD2-CB 3.41Å; D108-N122 PolarHBondContact OD2-N 2.72Å; D108-F123 VanDerWaalsContact OD2-CD2 3.23Å; D108-F123 WeakPolarHBondContact OD2-CD2 3.13Å; D108-F123 PolarHBondContact OD2-N 3.41Å
109T93.6Very high91.1Very high23 Ų2340.4 Ų40.414%0.14120%0.198CC..Hα-helixtrans-55.3-46172.4-57.40000111.1R105 Y107 F112 Y113 K165 V169R105-T109 WeakPolarHBondContact O-CB 3.34Å; R105-T109 PolarHBondContact O-N 3.17Å; R105-T109 PolarHBondContact O-OG1 3.42Å; Y107-T109 VanDerWaalsContact C-N 3.3Å; Y107-T109 PolarHBondContact O-N 2.89Å; T109-F112 PolarHBondContact O-N 2.74Å; T109-Y113 HydrophobicContact CG2-CD2 3.95Å; T109-Y113 HydrophobicContact CG2-CE2 3.56Å; T109-Y113 WeakPolarHBondContact O-CD2 3.48Å; T109-Y113 PolarHBondContact O-N 3.47Å; T109-K165 HydrophobicContact CG2-CB 4.36Å; T109-K165 HydrophobicContact CG2-CG 3.93Å; T109-V169 HydrophobicContact CG2-CG2 4.21Å
110A93.3Very high90.8Very high0 Ų049.1 Ų49.10%023%0.23CC..Hα-helixtrans-68.3-40.8179.300000112.9I83 L94 A106 Y107 D108 F112 Y113 L114 I162 A166I83-A110 HydrophobicContact CD1-CB 4.03Å; I83-A110 HydrophobicContact CG2-CB 4.14Å; L94-A110 HydrophobicContact CD1-CB 3.52Å; L94-A110 HydrophobicContact CD2-CB 3.69Å; L94-A110 HydrophobicContact CG-CB 4.26Å; A106-A110 PolarHBondContact O-N 2.88Å; Y107-A110 WeakPolarHBondContact O-CA 3.45Å; Y107-A110 WeakPolarHBondContact O-CB 3.47Å; Y107-A110 PolarHBondContact O-N 3.26Å; D108-A110 VanDerWaalsContact C-N 3.29Å; D108-A110 PolarHBondContact O-N 3.48Å; A110-F112 VanDerWaalsContact C-N 3.32Å; A110-F112 PolarHBondContact O-N 3.26Å; A110-Y113 PolarHBondContact O-N 3.18Å; A110-L114 WeakPolarHBondContact O-CG 3.47Å; A110-L114 PolarHBondContact O-N 2.8Å; A110-L114 VanDerWaalsContact O-N 3.09Å; A110-I162 HydrophobicContact CB-CG2 3.63Å; A110-A166 HydrophobicContact CB-CB 4.43Å
111V92Very high90.7Very high0 Ų049.9 Ų49.90%023%0.231CC..Hα-helixtrans-63-42.1176.6-177.20000110.4I83 Y107 D108 Y113 L114 R115 A119 L121I83-V111 HydrophobicContact CD1-CB 4.21Å; I83-V111 HydrophobicContact CD1-CG2 3.48Å; I83-V111 VanDerWaalsContact CD1-CG2 3.48Å; Y107-V111 HydrophobicContact CD1-CG2 3.72Å; Y107-V111 HydrophobicContact CD2-CG2 4.46Å; Y107-V111 HydrophobicContact CE1-CG2 3.33Å; Y107-V111 HydrophobicContact CE2-CG2 4.12Å; Y107-V111 HydrophobicContact CG-CG2 4.3Å; Y107-V111 WeakPolarHBondContact O-CG2 3.46Å; Y107-V111 PolarHBondContact O-N 3.42Å; D108-V111 PolarHBondContact O-N 3.37Å; V111-Y113 VanDerWaalsContact C-N 3.3Å; V111-Y113 PolarHBondContact O-N 3.03Å; V111-L114 PolarHBondContact O-N 3.09Å; V111-L114 VanDerWaalsContact O-N 3.16Å; V111-R115 HydrophobicContact CG1-CG 4.27Å; V111-R115 PolarHBondContact O-N 3.47Å; V111-A119 HydrophobicContact CG1-CB 3.72Å; V111-L121 HydrophobicContact CB-CD2 3.9Å; V111-L121 HydrophobicContact CG1-CD2 4.08Å
112F90.6Very high90.5Very high46 Ų4649.8 Ų49.820%0.20223%0.23CC..Hα-helixtrans-57.4-43.8177.5176.6-94.8000111.5D108 T109 A110 L114 G116 R117 L130D108-F112 WeakPolarHBondContact O-CB 3.28Å; D108-F112 PolarHBondContact O-N 3.24Å; T109-F112 PolarHBondContact O-N 2.74Å; A110-F112 VanDerWaalsContact C-N 3.32Å; A110-F112 PolarHBondContact O-N 3.26Å; F112-L114 PolarHBondContact O-N 3.12Å; F112-G116 WeakPolarHBondContact O-CA 3.37Å; F112-G116 PolarHBondContact O-N 3.46Å; F112-R117 HydrophobicContact CE2-CB 4.48Å; F112-R117 HydrophobicContact CE2-CG 3.86Å; F112-R117 HydrophobicContact CZ-CG 4.21Å; F112-L130 HydrophobicContact CE1-CD2 3.9Å; F112-L130 HydrophobicContact CE2-CD2 3.57Å; F112-L130 HydrophobicContact CZ-CD2 3.09Å
113Y89Confident90.2Very high83 Ų8351.5 Ų51.533%0.32524%0.237SC..Hα-helixtrans-74.3-23.5177.9-70.4-58.2000114.6T109 A110 V111 L157 K165T109-Y113 HydrophobicContact CG2-CD2 3.95Å; T109-Y113 HydrophobicContact CG2-CE2 3.56Å; T109-Y113 WeakPolarHBondContact O-CD2 3.48Å; T109-Y113 PolarHBondContact O-N 3.47Å; A110-Y113 PolarHBondContact O-N 3.18Å; V111-Y113 VanDerWaalsContact C-N 3.3Å; V111-Y113 PolarHBondContact O-N 3.03Å; Y113-L157 HydrophobicContact CD1-CD1 3.06Å; Y113-L157 HydrophobicContact CD1-CG 4.48Å; Y113-L157 HydrophobicContact CD2-CD1 4.35Å; Y113-L157 HydrophobicContact CE1-CD1 3.52Å; Y113-L157 HydrophobicContact CG-CD1 3.53Å; Y113-K165 HydrophobicContact CE2-CB 3.94Å; Y113-K165 HydrophobicContact CE2-CG 3.55Å
114L88.5Confident89.4Confident45 Ų4555.1 Ų55.124%0.23626%0.26CS..Hα-helixtrans-85.1-35.4176.6-71.8178000113.8I83 E85 A110 V111 F112 I162I83-L114 HydrophobicContact CD1-CD1 3.45Å; I83-L114 VanDerWaalsContact CD1-CD1 3.45Å; I83-L114 HydrophobicContact CG1-CD1 3.74Å; I83-L114 HydrophobicContact CG2-CD1 4.21Å; E85-L114 HydrophobicContact CG-CD1 3.84Å; E85-L114 HydrophobicContact CG-CD2 3.79Å; A110-L114 WeakPolarHBondContact O-CG 3.47Å; A110-L114 PolarHBondContact O-N 2.8Å; A110-L114 VanDerWaalsContact O-N 3.09Å; V111-L114 PolarHBondContact O-N 3.09Å; V111-L114 VanDerWaalsContact O-N 3.16Å; F112-L114 PolarHBondContact O-N 3.12Å; L114-I162 HydrophobicContact CD2-CD1 3.42Å; L114-I162 VanDerWaalsContact CD2-CD1 3.42Å; L114-I162 HydrophobicContact CG-CD1 3.93Å
115R87.1Confident88.5Confident135 Ų13562 Ų6251%0.50930%0.297SS..Hα-helixtrans-112.9-11.9-173.4-61.6-176.3-177.1-173.8-3.6113.6V111 A119V111-R115 HydrophobicContact CG1-CG 4.27Å; V111-R115 PolarHBondContact O-N 3.47Å; R115-A119 HydrophobicContact CB-CB 4.09Å
116G84.7Confident87.2Confident29 Ų2962.3 Ų62.330%0.29930%0.302SS..G310 helixtrans76.4-157.8-174.100000113.3F112 S118 A119F112-G116 WeakPolarHBondContact O-CA 3.37Å; F112-G116 PolarHBondContact O-N 3.46Å; G116-S118 VanDerWaalsContact C-N 3.26Å; G116-S118 PolarHBondContact O-N 2.82Å; G116-A119 WeakPolarHBondContact O-CB 3.27Å; G116-A119 PolarHBondContact O-N 2.91Å; G116-A119 VanDerWaalsContact O-N 3.12Å
117R78.3Confident85.5Confident180 Ų18064.6 Ų64.668%0.67931%0.314SS*.G310 helixtrans-66.7-22.6-173.8-65.4151.4-172.4-175.7-1.5113.9F112 A119F112-R117 HydrophobicContact CE2-CB 4.48Å; F112-R117 HydrophobicContact CE2-CG 3.86Å; F112-R117 HydrophobicContact CZ-CG 4.21Å; R117-A119 PolarHBondContact O-N 3.27Å
118S80.6Confident83.4Confident117 Ų11767.8 Ų67.882%0.81834%0.338SS*.G310 helixtrans-78.55.4174.8-1750000113.4G116 R120G116-S118 VanDerWaalsContact C-N 3.26Å; G116-S118 PolarHBondContact O-N 2.82Å; S118-R120 PolarHBondContact O-N 3.46Å
119A86.1Confident81.2Confident7 Ų772.8 Ų72.86%0.05837%0.373CS..  trans-62.7129.3179.900000112.3V111 R115 G116 R117 L121V111-A119 HydrophobicContact CG1-CB 3.72Å; R115-A119 HydrophobicContact CB-CB 4.09Å; G116-A119 WeakPolarHBondContact O-CB 3.27Å; G116-A119 PolarHBondContact O-N 2.91Å; G116-A119 VanDerWaalsContact O-N 3.12Å; R117-A119 PolarHBondContact O-N 3.27Å; A119-L121 HydrophobicContact CB-CD2 3.65Å; A119-L121 HydrophobicContact CB-CG 4.28Å; A119-L121 PolarHBondContact O-N 3.34Å
120R86.8Confident79.2Confident197 Ų19776 Ų7674%0.74339%0.389SS*.  trans-74.3113.3164.2-64.5179.668.2-173.43.2108.4R69 S118R69-R120 PolarHBondContact NH1-O 3.13Å; S118-R120 PolarHBondContact O-N 3.46Å
121L91.4Very high77Confident33 Ų3378.6 Ų78.617%0.17341%0.411CS..  trans-104.9167.5-179.8-55.4-171000111.1D108 V111 A119 I127D108-L121 HydrophobicContact CB-CB 4.16Å; D108-L121 HydrophobicContact CB-CD1 4.25Å; D108-L121 HydrophobicContact CB-CD2 4.03Å; D108-L121 HydrophobicContact CB-CG 4.37Å; D108-L121 WeakPolarHBondContact O-CD2 3.39Å; V111-L121 HydrophobicContact CB-CD2 3.9Å; V111-L121 HydrophobicContact CG1-CD2 4.08Å; A119-L121 HydrophobicContact CB-CD2 3.65Å; A119-L121 HydrophobicContact CB-CG 4.28Å; A119-L121 PolarHBondContact O-N 3.34Å; L121-I127 HydrophobicContact CB-CD1 4.18Å; L121-I127 HydrophobicContact CD1-CD1 3.77Å; L121-I127 HydrophobicContact CD1-CG1 3.71Å; L121-I127 HydrophobicContact CG-CD1 3.91Å; L121-I127 HydrophobicContact CG-CG1 4.4Å
122N90.2Very high75Confident31 Ų3183.1 Ų83.117%0.16644%0.44CS..SBendtrans-75.3-34.2169.8-65-67.3000111.6Y68 R69 A104 D108 P124Y68-N122 HydrophobicContact CD1-CB 4.11Å; R69-N122 VanDerWaalsContact CB-OD1 3.27Å; R69-N122 WeakPolarHBondContact CB-OD1 3.47Å; R69-N122 PolarHBondContact N-OD1 2.65Å; R69-N122 PolarHBondContact O-ND2 3.18Å; R69-N122 VanDerWaalsContact O-ND2 3.11Å; A104-N122 HydrophobicContact CB-CB 4.42Å; D108-N122 PolarHBondContact OD1-N 2.96Å; D108-N122 PolarHBondContact OD1-ND2 3.47Å; D108-N122 WeakPolarHBondContact OD2-CA 3.5Å; D108-N122 WeakPolarHBondContact OD2-CB 3.41Å; D108-N122 PolarHBondContact OD2-N 2.72Å; N122-P124 WeakPolarHBondContact O-CD 3.37Å
123F88.9Confident72.9Confident36 Ų3686.6 Ų86.616%0.15847%0.471CS..  trans-111.281.1177.8-53.3-73.7000110.6Y68 V101 A104 R105 D108 D125 E126Y68-F123 HydrophobicContact CD1-CZ 4.24Å; Y68-F123 AromaticContact CE1-CE1 3.96Å; Y68-F123 HydrophobicContact CE1-CE1 3.96Å; Y68-F123 AromaticContact CE1-CZ 3.76Å; Y68-F123 HydrophobicContact CE1-CZ 3.76Å; V101-F123 HydrophobicContact CG1-CE1 4.49Å; V101-F123 HydrophobicContact CG1-CZ 3.89Å; A104-F123 HydrophobicContact CB-CE2 3.48Å; A104-F123 VanDerWaalsContact CB-CE2 3.48Å; A104-F123 HydrophobicContact CB-CZ 3.81Å; R105-F123 HydrophobicContact CB-CE2 4.45Å; R105-F123 HydrophobicContact CG-CD2 3.69Å; R105-F123 HydrophobicContact CG-CE2 3.53Å; R105-F123 HydrophobicContact CG-CZ 4.42Å; D108-F123 VanDerWaalsContact OD2-CD2 3.23Å; D108-F123 WeakPolarHBondContact OD2-CD2 3.13Å; D108-F123 PolarHBondContact OD2-N 3.41Å; F123-D125 PolarHBondContact O-N 3.27Å; F123-E126 HydrophobicContact CB-CB 4.37Å; F123-E126 HydrophobicContact CB-CG 3.95Å; F123-E126 PolarHBondContact O-N 2.68Å
124P80.4Confident71Confident75 Ų7590.3 Ų90.349%0.48749%0.491SS..G310 helixtrans-65.1-28.2179.328-34.9000112.4N122 E126 I127N122-P124 WeakPolarHBondContact O-CD 3.37Å; P124-E126 PolarHBondContact O-N 3.12Å; P124-E126 VanDerWaalsContact O-N 3.17Å; P124-I127 HydrophobicContact CB-CD1 4.32Å; P124-I127 WeakPolarHBondContact O-CB 3.09Å; P124-I127 VanDerWaalsContact O-CG1 3.28Å; P124-I127 WeakPolarHBondContact O-CG1 3.15Å; P124-I127 PolarHBondContact O-N 2.96Å
125D75.9Confident68.9Low144 Ų14490.8 Ų90.877%0.7751%0.507SS*.G310 helixtrans-69.3-11-179.8-54-33.5000113.3F123 P128F123-D125 PolarHBondContact O-N 3.27Å; D125-P128 WeakPolarHBondContact O-CD 3.49Å
126E68.4Low67.1Low92 Ų9293.5 Ų93.543%0.4353%0.525SS..G310 helixtrans-89.7-8.7173.7-62.7-178.7-158.700112.3R105 F123 P124 P128R105-E126 IonicContact CZ-OE1 3.37Å; R105-E126 IonicContact CZ-OE2 3.8Å; R105-E126 IonicContact NE-OE1 3.72Å; R105-E126 PolarHBondContact NE-OE1 3.21Å; R105-E126 IonicContact NE-OE2 3.93Å; R105-E126 PolarHBondContact NE-OE2 2.82Å; R105-E126 VanDerWaalsContact NH2-CD 3.33Å; R105-E126 IonicContact NH2-OE1 3.12Å; R105-E126 PolarHBondContact NH2-OE1 3.33Å; R105-E126 IonicContact NH2-OE2 2.75Å; F123-E126 HydrophobicContact CB-CB 4.37Å; F123-E126 HydrophobicContact CB-CG 3.95Å; F123-E126 PolarHBondContact O-N 2.68Å; P124-E126 PolarHBondContact O-N 3.12Å; P124-E126 VanDerWaalsContact O-N 3.17Å; E126-P128 VanDerWaalsContact C-CD 3.44Å
127I59.5Low65.2Low47 Ų4795.5 Ų95.524%0.24155%0.546CS..SBendtrans-76.2-30.2178-52.9176.5000114.8L121 P124 S129 L130L121-I127 HydrophobicContact CB-CD1 4.18Å; L121-I127 HydrophobicContact CD1-CD1 3.77Å; L121-I127 HydrophobicContact CD1-CG1 3.71Å; L121-I127 HydrophobicContact CG-CD1 3.91Å; L121-I127 HydrophobicContact CG-CG1 4.4Å; P124-I127 HydrophobicContact CB-CD1 4.32Å; P124-I127 WeakPolarHBondContact O-CB 3.09Å; P124-I127 VanDerWaalsContact O-CG1 3.28Å; P124-I127 WeakPolarHBondContact O-CG1 3.15Å; P124-I127 PolarHBondContact O-N 2.96Å; I127-S129 PolarHBondContact O-N 2.84Å; I127-L130 PolarHBondContact O-N 2.94Å
128P51.9Low63.7Low94 Ų9495.4 Ų95.461%0.6156%0.559SS**THydrogen-bonded Turntrans-61.2-10.2-173.4-22.733000115.9D125 E126D125-P128 WeakPolarHBondContact O-CD 3.49Å; E126-P128 VanDerWaalsContact C-CD 3.44Å
129S48.9Very low62.1Low114 Ų11493.2 Ų93.280%0.79756%0.555SS**THydrogen-bonded Turntrans-89.4-2.7175.5-49.90000114.1I127I127-S129 PolarHBondContact O-N 2.84Å
130L51.9Low60.1Low90 Ų90100.8 Ų100.847%0.47159%0.594SS.*THydrogen-bonded Turntrans-119.3-7.3-176.9-12096.4000115.6F112 I127F112-L130 HydrophobicContact CE1-CD2 3.9Å; F112-L130 HydrophobicContact CE2-CD2 3.57Å; F112-L130 HydrophobicContact CZ-CD2 3.09Å; I127-L130 PolarHBondContact O-N 2.94Å
131A47.1Very low57.9Low56 Ų5694.9 Ų94.946%0.46360%0.595SS.*SBendtrans-111115.5172.700000108.2S133A131-S133 PolarHBondContact O-N 3.06Å
132P49.2Very low55.5Low94 Ų9496.8 Ų96.861%0.6162%0.622SS**  trans-59.7130.8165.225.8-30.1000107.9E134P132-E134 HydrophobicContact CB-CG 4.28Å; P132-E134 PolarHBondContact O-N 3.48Å
133S45.8Very low53.3Low120 Ų120103.9 Ų103.984%0.83965%0.654SS**  trans-60.683.9168.751.70000109.5A131A131-S133 PolarHBondContact O-N 3.06Å
134E50.3Low51.6Low160 Ų160107.5 Ų107.575%0.74868%0.681SS**  trans-133.981.6176.1-63.8-173.5-179.500108.4P132P132-E134 HydrophobicContact CB-CG 4.28Å; P132-E134 PolarHBondContact O-N 3.48Å
135G43.6Very low49.7Very low55 Ų55108 Ų10857%0.56769%0.692SS**  trans-60.9154.7132.200000108.6
136E48.6Very low48.6Very low192 Ų192111.5 Ų111.590%0.89769%0.694SS**  trans79.9105.4179.7-67.985.5102.100116.3
137G44.8Very low47.4Very low71 Ų71114.8 Ų114.873%0.73272%0.715SS**  trans158.763.6162.600000115.8G139G137-G139 PolarHBondContact O-N 2.99Å; G137-G139 VanDerWaalsContact O-N 3.17Å
138D48Very low47.2Very low179 Ų179116.9 Ų116.996%0.95773%0.731SS**  trans-52.3113.5154.5-62.9-84.9000109.4
139G46.3Very low46.9Very low71 Ų71117 Ų11773%0.73274%0.74SS**  trans-170.483.8-174.400000113.7G137G137-G139 PolarHBondContact O-N 2.99Å; G137-G139 VanDerWaalsContact O-N 3.17Å
140D45.4Very low46.7Very low166 Ų166119.7 Ų119.789%0.88875%0.746SS**  trans14.2128.9137.1-167.646.1000119.9
141G40.6Very low46Very low73 Ų73119.5 Ų119.575%0.75377%0.765SS**  trans76.5112.3139.200000119.1
142G39.7Very low45.6Very low72 Ų72119.1 Ų119.174%0.74277%0.767SS**  trans161.469.9160.400000116.6P144G142-P144 WeakPolarHBondContact O-CD 3.37Å
143E43.3Very low44.9Very low181 Ų181118.3 Ų118.385%0.84678%0.776SS**  trans-55.5123.2163.6-166.4-172.5147.700110.8A145E143-A145 PolarHBondContact O-N 2.84Å
144P53.4Low44.3Very low111 Ų111116.6 Ų116.672%0.72178%0.777SS**  trans-90.586.2173.632.9-30.2000110.4G142 R146G142-P144 WeakPolarHBondContact O-CD 3.37Å; P144-R146 PolarHBondContact O-N 3.33Å; P144-R146 VanDerWaalsContact O-N 3.13Å
145A42.3Very low44.2Very low86 Ų86111.6 Ų111.671%0.71177%0.769SS**  trans-68.797.4157.100000109E143E143-A145 PolarHBondContact O-N 2.84Å
146R51.2Low45.2Very low218 Ų218115.5 Ų115.582%0.82378%0.782SS**  trans-143.3112.1164.5-66.3-168.6179119.82.2109.7P144P144-R146 PolarHBondContact O-N 3.33Å; P144-R146 VanDerWaalsContact O-N 3.13Å
147D43.3Very low46.4Very low161 Ų161110.5 Ų110.586%0.86176%0.76SS**  trans-53.1139173-55.6-86.4000112.8
148P55.4Low48.4Very low91 Ų91110 Ų11059%0.59175%0.746SS**  trans-11588.1147.533.3-23.4000108.6D150P148-D150 PolarHBondContact O-N 3.28Å
149A46.3Very low50.3Low97 Ų97103 Ų10380%0.80271%0.713SS**  trans-60.4126.5160.700000108.1
150D43.4Very low52.4Low169 Ų169102.1 Ų102.190%0.90470%0.699SS**SBendtrans87.888.5175.8-148.733.7000116.8P148P148-D150 PolarHBondContact O-N 3.28Å
151G37.1Very low54.6Low86 Ų8696.6 Ų96.689%0.88767%0.673SS**SBendtrans7741.7150.800000118.6
152G40.2Very low57.1Low48 Ų4893.1 Ų93.150%0.49564%0.637SS.*  trans-162.274.6-179.400000113.4G154G152-G154 PolarHBondContact O-N 2.8Å
153G33.6Very low59.6Low77 Ų7794.9 Ų94.979%0.79462%0.621SS**  trans-63.8105.4179.400000111.8G155G153-G155 PolarHBondContact O-N 3.5Å; G153-G155 VanDerWaalsContact O-N 3.14Å
154G33.9Very low62.1Low84 Ų8493.8 Ų93.887%0.86661%0.614SS**  trans-56.8112.6159.700000108.8G152G152-G154 PolarHBondContact O-N 2.8Å
155G48Very low64Low56 Ų5691.8 Ų91.858%0.57759%0.594SS**SBendtrans151.1119.8-17600000110.3G153G153-G155 PolarHBondContact O-N 3.5Å; G153-G155 VanDerWaalsContact O-N 3.14Å
156T64.5Low66.5Low137 Ų13787.7 Ų87.784%0.8456%0.56SS**SBendtrans32.6101.616460.90000116S158T156-S158 PolarHBondContact O-N 2.85Å
157L74.6Confident68.6Low86 Ų8681 Ų8145%0.4554%0.54SS..  trans-43.5134.7176.1-74.1165.8000112.3Y113 I162Y113-L157 HydrophobicContact CD1-CD1 3.06Å; Y113-L157 HydrophobicContact CD1-CG 4.48Å; Y113-L157 HydrophobicContact CD2-CD1 4.35Å; Y113-L157 HydrophobicContact CE1-CD1 3.52Å; Y113-L157 HydrophobicContact CG-CD1 3.53Å; L157-I162 HydrophobicContact CB-CD1 4.43Å; L157-I162 HydrophobicContact CB-CG1 3.93Å; L157-I162 WeakPolarHBondContact O-CD1 3.37Å
158S86.4Confident71.1Confident62 Ų6278.2 Ų78.243%0.43452%0.522SS..  trans-57.2150.8177.482.40000111.4T156 A160 S161 I162T156-S158 PolarHBondContact O-N 2.85Å; S158-A160 PolarHBondContact O-N 3.16Å; S158-A160 VanDerWaalsContact O-N 3.1Å; S158-A160 PolarHBondContact OG-N 2.87Å; S158-S161 WeakPolarHBondContact O-CA 3.45Å; S158-S161 WeakPolarHBondContact O-CB 3.48Å; S158-S161 PolarHBondContact O-N 3.4Å; S158-S161 PolarHBondContact OG-N 3.49Å; S158-S161 VanDerWaalsContact OG-N 3.09Å; S158-S161 PolarHBondContact OG-OG 3.46Å; S158-I162 WeakPolarHBondContact O-CG1 3.34Å; S158-I162 PolarHBondContact O-N 3.24Å
159A87.6Confident73Confident30 Ų3075.8 Ų75.825%0.24851%0.505CS..Hα-helixtrans-55.4-31.3175.700000112.6I92 R163I92-A159 HydrophobicContact CD1-CB 3.7Å; I92-A159 HydrophobicContact CG1-CB 4.13Å; A159-R163 WeakPolarHBondContact O-CG 3.35Å; A159-R163 PolarHBondContact O-N 3.01Å
160A90.3Very high75.4Confident54 Ų5471.1 Ų71.145%0.44647%0.467SS..Hα-helixtrans-66.8-43.8173.600000112.1S158 R163 K164S158-A160 PolarHBondContact O-N 3.16Å; S158-A160 VanDerWaalsContact O-N 3.1Å; S158-A160 PolarHBondContact OG-N 2.87Å; A160-R163 PolarHBondContact O-N 3.2Å; A160-K164 WeakPolarHBondContact O-CB 3.26Å; A160-K164 PolarHBondContact O-N 3.01Å
161S92Very high77.8Confident49 Ų4966 Ų6634%0.34344%0.444SS..Hα-helixtrans-62.8-42.8176.3-52.40000111.6S158 K164 K165S158-S161 WeakPolarHBondContact O-CA 3.45Å; S158-S161 WeakPolarHBondContact O-CB 3.48Å; S158-S161 PolarHBondContact O-N 3.4Å; S158-S161 PolarHBondContact OG-N 3.49Å; S158-S161 VanDerWaalsContact OG-N 3.09Å; S158-S161 PolarHBondContact OG-OG 3.46Å; S161-K164 PolarHBondContact O-N 3.45Å; S161-K165 PolarHBondContact O-N 2.78Å; S161-K165 VanDerWaalsContact O-N 3.07Å
162I91.8Very high80.5Confident1 Ų171 Ų711%0.00544%0.436CS..Hα-helixtrans-61.6-47.4176.7-64174.6000110.5A110 L114 L157 S158 K164 K165 A166A110-I162 HydrophobicContact CB-CG2 3.63Å; L114-I162 HydrophobicContact CD2-CD1 3.42Å; L114-I162 VanDerWaalsContact CD2-CD1 3.42Å; L114-I162 HydrophobicContact CG-CD1 3.93Å; L157-I162 HydrophobicContact CB-CD1 4.43Å; L157-I162 HydrophobicContact CB-CG1 3.93Å; L157-I162 WeakPolarHBondContact O-CD1 3.37Å; S158-I162 WeakPolarHBondContact O-CG1 3.34Å; S158-I162 PolarHBondContact O-N 3.24Å; I162-K164 PolarHBondContact O-N 2.89Å; I162-K165 PolarHBondContact O-N 3.37Å; I162-A166 WeakPolarHBondContact O-CB 3.28Å; I162-A166 PolarHBondContact O-N 2.89Å
163R93.5Very high83Confident108 Ų10869.1 Ų69.141%0.40842%0.415SS..Hα-helixtrans-57.2-50.3175-77.3-174.5-68.6-167.23.8111.9I92 W93 L94 A159 A160 K165 A166 I167I92-R163 HydrophobicContact CG2-CG 3.12Å; W93-R163 WeakPolarHBondContact O-CD 3.38Å; W93-R163 WeakPolarHBondContact O-CG 3.02Å; L94-R163 HydrophobicContact CD2-CG 4.38Å; A159-R163 WeakPolarHBondContact O-CG 3.35Å; A159-R163 PolarHBondContact O-N 3.01Å; A160-R163 PolarHBondContact O-N 3.2Å; R163-K165 VanDerWaalsContact C-N 3.27Å; R163-K165 PolarHBondContact O-N 3.37Å; R163-A166 PolarHBondContact O-N 3.49Å; R163-I167 WeakPolarHBondContact O-CB 3.48Å; R163-I167 VanDerWaalsContact O-CG1 3.24Å; R163-I167 WeakPolarHBondContact O-CG1 3.3Å; R163-I167 PolarHBondContact O-N 3.26Å
164K94.7Very high85.9Confident159 Ų15967.1 Ų67.169%0.69139%0.386SS*.Hα-helixtrans-54.4-47.3-178.5-175.1179.7179.1-178.20110.7A160 S161 I162 E168A160-K164 WeakPolarHBondContact O-CB 3.26Å; A160-K164 PolarHBondContact O-N 3.01Å; S161-K164 PolarHBondContact O-N 3.45Å; I162-K164 PolarHBondContact O-N 2.89Å; K164-E168 PolarHBondContact O-N 3.13Å; K164-E168 VanDerWaalsContact O-N 3.11Å
165K94.3Very high88.7Confident69 Ų6966.3 Ų66.330%0.337%0.371SS..Hα-helixtrans-72.1-39.3-178-165.960-178178.10113.2T109 Y113 S161 I162 R163 I167 E168 V169T109-K165 HydrophobicContact CG2-CB 4.36Å; T109-K165 HydrophobicContact CG2-CG 3.93Å; Y113-K165 HydrophobicContact CE2-CB 3.94Å; Y113-K165 HydrophobicContact CE2-CG 3.55Å; S161-K165 PolarHBondContact O-N 2.78Å; S161-K165 VanDerWaalsContact O-N 3.07Å; I162-K165 PolarHBondContact O-N 3.37Å; R163-K165 VanDerWaalsContact C-N 3.27Å; R163-K165 PolarHBondContact O-N 3.37Å; K165-I167 VanDerWaalsContact C-N 3.34Å; K165-I167 PolarHBondContact O-N 3.2Å; K165-E168 WeakPolarHBondContact CD-OE2 3.46Å; K165-E168 VanDerWaalsContact NZ-CD 3.3Å; K165-E168 IonicContact NZ-OE1 3.09Å; K165-E168 PolarHBondContact NZ-OE1 3.27Å; K165-E168 IonicContact NZ-OE2 2.91Å; K165-E168 PolarHBondContact NZ-OE2 2.97Å; K165-E168 PolarHBondContact O-N 3.21Å; K165-V169 WeakPolarHBondContact O-CG2 3.47Å; K165-V169 PolarHBondContact O-N 3.36Å; K165-V169 VanDerWaalsContact O-N 3.13Å
166A94.6Very high90.7Very high0 Ų068.5 Ų68.50%037%0.369CS..Hα-helixtrans-62.1-41.3175.100000112.3L94 Y97 A106 A110 I162 R163 G170L94-A166 HydrophobicContact CB-CB 4.25Å; L94-A166 HydrophobicContact CD2-CB 3.87Å; L94-A166 HydrophobicContact CG-CB 4.45Å; Y97-A166 PolarHBondContact OH-O 3.48Å; A106-A166 HydrophobicContact CB-CB 4.36Å; A106-A166 WeakPolarHBondContact CB-O 3.33Å; A106-A166 WeakPolarHBondContact O-CB 3.38Å; A110-A166 HydrophobicContact CB-CB 4.43Å; I162-A166 WeakPolarHBondContact O-CB 3.28Å; I162-A166 PolarHBondContact O-N 2.89Å; R163-A166 PolarHBondContact O-N 3.49Å; A166-G170 PolarHBondContact O-N 3.11Å
167I95.9Very high91.8Very high76 Ų7664.4 Ų64.439%0.3934%0.34SS..Hα-helixtrans-61.5-50175.7-69.5166.2000110.1L94 R163 K165 V169 G170 S171L94-I167 WeakPolarHBondContact O-CG1 3.39Å; R163-I167 WeakPolarHBondContact O-CB 3.48Å; R163-I167 VanDerWaalsContact O-CG1 3.24Å; R163-I167 WeakPolarHBondContact O-CG1 3.3Å; R163-I167 PolarHBondContact O-N 3.26Å; K165-I167 VanDerWaalsContact C-N 3.34Å; K165-I167 PolarHBondContact O-N 3.2Å; I167-V169 VanDerWaalsContact C-N 3.34Å; I167-V169 PolarHBondContact O-N 3.38Å; I167-G170 PolarHBondContact O-N 3.45Å; I167-S171 VanDerWaalsContact O-CB 3.28Å; I167-S171 WeakPolarHBondContact O-CB 3.34Å; I167-S171 PolarHBondContact O-N 3.12Å; I167-S171 PolarHBondContact O-OG 2.74Å; I167-S171 VanDerWaalsContact O-OG 3.11Å
168E95.7Very high92.4Very high104 Ų10462.6 Ų62.649%0.48633%0.333SS..Hα-helixtrans-53.9-49179.5-173.7-162.8130.200112.1K164 K165 R172K164-E168 PolarHBondContact O-N 3.13Å; K164-E168 VanDerWaalsContact O-N 3.11Å; K165-E168 WeakPolarHBondContact CD-OE2 3.46Å; K165-E168 VanDerWaalsContact NZ-CD 3.3Å; K165-E168 IonicContact NZ-OE1 3.09Å; K165-E168 PolarHBondContact NZ-OE1 3.27Å; K165-E168 IonicContact NZ-OE2 2.91Å; K165-E168 PolarHBondContact NZ-OE2 2.97Å; K165-E168 PolarHBondContact O-N 3.21Å; E168-R172 WeakPolarHBondContact O-CB 3.45Å; E168-R172 PolarHBondContact O-N 3.33Å; E168-R172 VanDerWaalsContact O-N 3.13Å
169V95.3Very high92Very high39 Ų3962.2 Ų62.224%0.23634%0.339CS..Hα-helixtrans-65.6-49.1178.7173.80000111.1R105 T109 K165 I167 S171 R172 V173R105-V169 HydrophobicContact CB-CG1 4.12Å; T109-V169 HydrophobicContact CG2-CG2 4.21Å; K165-V169 WeakPolarHBondContact O-CG2 3.47Å; K165-V169 PolarHBondContact O-N 3.36Å; K165-V169 VanDerWaalsContact O-N 3.13Å; I167-V169 VanDerWaalsContact C-N 3.34Å; I167-V169 PolarHBondContact O-N 3.38Å; V169-S171 PolarHBondContact O-N 3.09Å; V169-R172 PolarHBondContact O-N 3.11Å; V169-V173 VanDerWaalsContact O-CG2 3.28Å; V169-V173 WeakPolarHBondContact O-CG2 3.24Å; V169-V173 PolarHBondContact O-N 3.01Å; V169-V173 VanDerWaalsContact O-N 3.12Å
170G95.1Very high91Very high0 Ų068 Ų680%036%0.363CS..Hα-helixtrans-60.6-45.7-179.300000112.3Y97 A166 I167 R172 V173 D174Y97-G170 VanDerWaalsContact CE1-CA 3.48Å; A166-G170 PolarHBondContact O-N 3.11Å; I167-G170 PolarHBondContact O-N 3.45Å; G170-R172 PolarHBondContact O-N 2.96Å; G170-V173 PolarHBondContact O-N 3.09Å; G170-D174 VanDerWaalsContact O-CB 3.28Å; G170-D174 WeakPolarHBondContact O-CB 3.46Å; G170-D174 PolarHBondContact O-N 3.37Å
171S94Very high89.7Confident60 Ų6072 Ų7242%0.4237%0.374SS..Hα-helixtrans-63.4-39.4178.9-69.50000112.4I167 V169 D174 A175I167-S171 VanDerWaalsContact O-CB 3.28Å; I167-S171 WeakPolarHBondContact O-CB 3.34Å; I167-S171 PolarHBondContact O-N 3.12Å; I167-S171 PolarHBondContact O-OG 2.74Å; I167-S171 VanDerWaalsContact O-OG 3.11Å; V169-S171 PolarHBondContact O-N 3.09Å; S171-D174 PolarHBondContact O-N 3.31Å; S171-A175 WeakPolarHBondContact O-CB 3.41Å; S171-A175 PolarHBondContact O-N 3.37Å
172R94Very high88.3Confident192 Ų19274.3 Ų74.373%0.72539%0.386SS*.Hα-helixtrans-61.9-44.6175.1-177.7178.3177.7-174.8-0.9111.5E168 V169 G170 L176E168-R172 WeakPolarHBondContact O-CB 3.45Å; E168-R172 PolarHBondContact O-N 3.33Å; E168-R172 VanDerWaalsContact O-N 3.13Å; V169-R172 PolarHBondContact O-N 3.11Å; G170-R172 PolarHBondContact O-N 2.96Å; R172-L176 HydrophobicContact CG-CD1 4.48Å; R172-L176 WeakPolarHBondContact O-CG 3.47Å; R172-L176 PolarHBondContact O-N 3.44Å
173V93.3Very high86.9Confident9 Ų978.4 Ų78.46%0.05541%0.412CS..Hα-helixtrans-69.2-41.4179.8176.60000110.8V101 A102 R105 V169 G170 A175 L176 Q177V101-V173 HydrophobicContact CG1-CG1 4.18Å; A102-V173 HydrophobicContact CB-CB 4.07Å; A102-V173 HydrophobicContact CB-CG1 3.91Å; R105-V173 HydrophobicContact CB-CG2 4.38Å; R105-V173 VanDerWaalsContact CD-CG2 3.41Å; V169-V173 VanDerWaalsContact O-CG2 3.28Å; V169-V173 WeakPolarHBondContact O-CG2 3.24Å; V169-V173 PolarHBondContact O-N 3.01Å; V169-V173 VanDerWaalsContact O-N 3.12Å; G170-V173 PolarHBondContact O-N 3.09Å; V173-A175 VanDerWaalsContact C-N 3.35Å; V173-A175 PolarHBondContact O-N 3.18Å; V173-L176 PolarHBondContact O-N 2.95Å; V173-Q177 HydrophobicContact CG1-CG 4.3Å; V173-Q177 WeakPolarHBondContact O-CB 3.35Å; V173-Q177 WeakPolarHBondContact O-CG 3.4Å; V173-Q177 PolarHBondContact O-N 3.27Å
174D94Very high85.2Confident35 Ų3578.1 Ų78.119%0.18742%0.424CS..Hα-helixtrans-61.9-42.5178.3-162.668.1000111.3Y97 A98 T99 A102 G170 S171 T178Y97-D174 WeakPolarHBondContact CB-OD1 3.28Å; Y97-D174 HydrophobicContact CD1-CB 4.08Å; A98-D174 WeakPolarHBondContact CA-OD1 3.19Å; A98-D174 WeakPolarHBondContact CB-OD1 3.23Å; A98-D174 PolarHBondContact N-OD1 2.82Å; T99-D174 PolarHBondContact N-OD1 3.48Å; A102-D174 HydrophobicContact CB-CB 3.76Å; G170-D174 VanDerWaalsContact O-CB 3.28Å; G170-D174 WeakPolarHBondContact O-CB 3.46Å; G170-D174 PolarHBondContact O-N 3.37Å; S171-D174 PolarHBondContact O-N 3.31Å; D174-T178 WeakPolarHBondContact O-CB 3Å; D174-T178 PolarHBondContact O-N 3.03Å; D174-T178 PolarHBondContact O-OG1 3.37Å
175A92.3Very high83.6Confident67 Ų6776 Ų7655%0.55443%0.427SS*.Hα-helixtrans-62.5-45.3176.100000112.1S171 V173 G179S171-A175 WeakPolarHBondContact O-CB 3.41Å; S171-A175 PolarHBondContact O-N 3.37Å; V173-A175 VanDerWaalsContact C-N 3.35Å; V173-A175 PolarHBondContact O-N 3.18Å; A175-G179 PolarHBondContact O-N 3.35Å
176L91.4Very high81.6Confident101 Ų10180.8 Ų80.853%0.52945%0.45SS..Hα-helixtrans-64.4-45.6179-70.2172.2000111.8R172 V173 M180R172-L176 HydrophobicContact CG-CD1 4.48Å; R172-L176 WeakPolarHBondContact O-CG 3.47Å; R172-L176 PolarHBondContact O-N 3.44Å; V173-L176 PolarHBondContact O-N 2.95Å; L176-M180 HydrophobicContact CB-CE 4.47Å; L176-M180 WeakPolarHBondContact O-CE 3.43Å; L176-M180 WeakPolarHBondContact O-CG 3.34Å; L176-M180 PolarHBondContact O-N 3.49Å
177Q87.1Confident79.6Confident52 Ų5288 Ų8824%0.24348%0.484CS..Hα-helixtrans-76.2-40.6-176.7-66.7-177.5-43.400112.2T99 V101 V173 G179 M180 M181T99-Q177 HydrophobicContact CG2-CB 3.69Å; T99-Q177 PolarHBondContact OG1-OE1 3.07Å; V101-Q177 VanDerWaalsContact CG1-NE2 3.34Å; V173-Q177 HydrophobicContact CG1-CG 4.3Å; V173-Q177 WeakPolarHBondContact O-CB 3.35Å; V173-Q177 WeakPolarHBondContact O-CG 3.4Å; V173-Q177 PolarHBondContact O-N 3.27Å; Q177-G179 VanDerWaalsContact C-N 3.34Å; Q177-M180 PolarHBondContact O-N 2.93Å; Q177-M181 VanDerWaalsContact O-CG 3.29Å; Q177-M181 WeakPolarHBondContact O-CG 3.46Å; Q177-M181 PolarHBondContact O-N 3.45Å
178T86.9Confident77.5Confident47 Ų4794.9 Ų94.929%0.28850%0.504SS..Hα-helixtrans-67.7-36.7177.9-54.30000111.1D174 M180 M181 V182D174-T178 WeakPolarHBondContact O-CB 3Å; D174-T178 PolarHBondContact O-N 3.03Å; D174-T178 PolarHBondContact O-OG1 3.37Å; T178-M180 PolarHBondContact O-N 2.75Å; T178-M181 WeakPolarHBondContact O-CA 3.38Å; T178-M181 PolarHBondContact O-N 2.91Å; T178-V182 PolarHBondContact O-N 2.71Å
179G79Confident75.3Confident55 Ų5596.4 Ų96.457%0.56751%0.511SS*.Hα-helixtrans-61.4-27.417400000113.6A175 Q177 M181A175-G179 PolarHBondContact O-N 3.35Å; Q177-G179 VanDerWaalsContact C-N 3.34Å; G179-M181 VanDerWaalsContact C-N 3.34Å
180M65.9Low73.3Confident151 Ų151103.2 Ų103.274%0.74453%0.533SS*.THydrogen-bonded Turntrans-81.5-12.3172.1-68-174.6-108.600113.5L176 Q177 T178L176-M180 HydrophobicContact CB-CE 4.47Å; L176-M180 WeakPolarHBondContact O-CE 3.43Å; L176-M180 WeakPolarHBondContact O-CG 3.34Å; L176-M180 PolarHBondContact O-N 3.49Å; Q177-M180 PolarHBondContact O-N 2.93Å; T178-M180 PolarHBondContact O-N 2.75Å
181M62.9Low71.1Confident139 Ų139110.5 Ų110.569%0.68557%0.567SS**THydrogen-bonded Turntrans-104.8-6-177.2-64.8177.699.300113.6T99 Q177 T178 G179 P183T99-M181 HydrophobicContact CG2-SD 4.21Å; Q177-M181 VanDerWaalsContact O-CG 3.29Å; Q177-M181 WeakPolarHBondContact O-CG 3.46Å; Q177-M181 PolarHBondContact O-N 3.45Å; T178-M181 WeakPolarHBondContact O-CA 3.38Å; T178-M181 PolarHBondContact O-N 2.91Å; G179-M181 VanDerWaalsContact C-N 3.34Å; M181-P183 WeakPolarHBondContact O-CD 3.33Å
182V63Low69.2Low97 Ų97116.1 Ų116.159%0.58858%0.579SS**SBendtrans-78.2108167.7-179.10000106.7T178T178-V182 PolarHBondContact O-N 2.71Å
183P61.6Low67.3Low87 Ų87113.7 Ų113.757%0.56558%0.576SS**  trans-56.6139.6172.525.2-32.6000107.6M181M181-P183 WeakPolarHBondContact O-CD 3.33Å
184P57.1Low65.5Low101 Ų101119.5 Ų119.566%0.65660%0.602SS**  trans-49.6137.1174.621.7-31.8000107.5H186P184-H186 PolarHBondContact O-N 3.2Å
185P62.7Low63.5Low115 Ų115125.1 Ų125.175%0.74763%0.627SS**  trans-53.7115.9176.323.5-31.6000105.7H187P185-H187 PolarHBondContact O-N 3.35Å
186H52.1Low61.9Low169 Ų169130.3 Ų130.378%0.78264%0.639SS**  trans-57.7102.6169.4-73.1-76.6000104.4P184 R188P184-H186 PolarHBondContact O-N 3.2Å; H186-R188 PolarHBondContact O-N 2.92Å
187H51.5Low60.3Low153 Ų153133.2 Ų133.271%0.70865%0.65SS**  trans-66.281.4171.1-150.1-58.1000104.5P185 E189P185-H187 PolarHBondContact O-N 3.35Å; H187-E189 IonicContact CE1-OE2 3.2Å; H187-E189 PolarHBondContact CE1-OE2 3.14Å; H187-E189 IonicContact ND1-OE2 2.74Å; H187-E189 PolarHBondContact ND1-OE2 3.13Å; H187-E189 VanDerWaalsContact ND1-OE2 3.09Å; H187-E189 IonicContact NE2-OE2 3.64Å; H187-E189 PolarHBondContact O-N 3.1Å
188R53.3Low58.3Low220 Ų220140.2 Ų140.283%0.8368%0.682SS**  trans-70.778.1158.1-126.1-179.1-177.4155.31.3103.2H186 R190H186-R188 PolarHBondContact O-N 2.92Å; R188-R190 PolarHBondContact O-N 3.03Å
189E49.5Very low56.9Low135 Ų135146.3 Ų146.363%0.63171%0.707SS**  trans-51.779.1157.3-170.973.9-13700105.6H187 Q191H187-E189 IonicContact CE1-OE2 3.2Å; H187-E189 PolarHBondContact CE1-OE2 3.14Å; H187-E189 IonicContact ND1-OE2 2.74Å; H187-E189 PolarHBondContact ND1-OE2 3.13Å; H187-E189 VanDerWaalsContact ND1-OE2 3.09Å; H187-E189 IonicContact NE2-OE2 3.64Å; H187-E189 PolarHBondContact O-N 3.1Å; E189-Q191 PolarHBondContact O-N 3.47Å
190R51.8Low55.4Low183 Ų183151.6 Ų151.669%0.69172%0.716SS**  trans-66.996.6160.5-83.1-164-170.6-110.47102.8R188 R192R188-R190 PolarHBondContact O-N 3.03Å; R190-R192 HydrophobicContact CB-CG 4.23Å; R190-R192 PolarHBondContact O-N 3.09Å
191Q50.4Low55.1Low152 Ų152152.6 Ų152.671%0.7172%0.724SS**  trans-35.582.8143.4-72.9-179.7-5.200108.5E189 H193E189-Q191 PolarHBondContact O-N 3.47Å; Q191-H193 PolarHBondContact O-N 2.86Å; Q191-H193 VanDerWaalsContact O-N 3.12Å
192R54Low54.6Low179 Ų179150.4 Ų150.468%0.67572%0.72SS**  trans-86.174.3167.2-81.5-146.5-175.5-122.910.8104.3R190 H194R190-R192 HydrophobicContact CB-CG 4.23Å; R190-R192 PolarHBondContact O-N 3.09Å; R192-H194 WeakPolarHBondContact CA-ND1 3.2Å; R192-H194 VanDerWaalsContact CB-ND1 3.32Å; R192-H194 WeakPolarHBondContact CB-ND1 3.39Å; R192-H194 VanDerWaalsContact CD-CE1 3.47Å; R192-H194 WeakPolarHBondContact CD-CE1 2.83Å; R192-H194 PolarHBondContact O-N 3.17Å
193H53.5Low53.9Low141 Ų141154.5 Ų154.565%0.65373%0.733SS**  trans-62.677.7156.1-66-70.2000108Q191Q191-H193 PolarHBondContact O-N 2.86Å; Q191-H193 VanDerWaalsContact O-N 3.12Å
194H56.5Low53.4Low131 Ų131158.7 Ų158.761%0.60675%0.75SS**  trans-105.282.9164.7-62.666.1000105.7R192R192-H194 WeakPolarHBondContact CA-ND1 3.2Å; R192-H194 VanDerWaalsContact CB-ND1 3.32Å; R192-H194 WeakPolarHBondContact CB-ND1 3.39Å; R192-H194 VanDerWaalsContact CD-CE1 3.47Å; R192-H194 WeakPolarHBondContact CD-CE1 2.83Å; R192-H194 PolarHBondContact O-N 3.17Å
195H50.6Low53.2Low153 Ų153164.3 Ų164.371%0.70876%0.758SS**  trans-50.5138.7141.1-66.678.6000106.3
196H59.3Low52.9Low176 Ų176166.3 Ų166.382%0.81576%0.759SS**  trans162.4101.1148.1-82.8100.2000109.8
197H56.9Low52.6Low162 Ų162167 Ų16775%0.7576%0.762SS**  trans61.3105.4139.3-77.152.5000120.2H199H197-H199 PolarHBondContact O-N 3.34Å
198H46.2Very low52.1Low198 Ų198164.9 Ų164.992%0.91777%0.771SS**  trans-58.3112.9157.3-85.4-92.3000110.8
199H58.2Low51.6Low175 Ų175159.1 Ų159.181%0.8177%0.771SS**  trans-128.1121.6156-89.6-78.9000111.1H197H197-H199 PolarHBondContact O-N 3.34Å
200H46.2Very low51.3Low166 Ų166157.7 Ų157.777%0.76978%0.782SS**  trans-50.5127.8174.5178.583.4000114.7
201L59.3Low51.1Low172 Ų172154 Ų15490%0.90179%0.791SS**  trans-146.9130.6150.2-89.2174.3000109.9
202P53.4Low50.6Low94 Ų94156.3 Ų156.361%0.6180%0.801SS**  trans-90.4145.7-176.935.3-32.2000113.2
203Q47.1Very low50.1Low182 Ų182152.6 Ų152.685%0.8581%0.809SS**  trans26.3108.6155.6-72.9-168.2-8.200120
204L53Low49.6Very low176 Ų176151.1 Ų151.192%0.92182%0.821SS**  trans-128.592.3143.9-98154.6000108.2M206L204-M206 PolarHBondContact O-N 3.23Å
205R52.3Low49.2Very low218 Ų218149.8 Ų149.882%0.82383%0.833SS**  trans-79.5101.2172.5171.9-175.6-180123.7-2.5107.9
206M55.2Low48.9Very low158 Ų158146.6 Ų146.678%0.77883%0.833SS**  trans-158.7128158.3-78.6-48153.600110.2L204L204-M206 PolarHBondContact O-N 3.23Å
207H46.2Very low48.3Very low184 Ų184147.2 Ų147.285%0.85284%0.836SS**  trans71.968.4164.8-55.9-71.3000120.4
208A40.5Very low47.8Very low107 Ų107148.7 Ų148.788%0.88484%0.843SS**  trans-111.986154.200000109.1
209A42.9Very low47.6Very low100 Ų100150.6 Ų150.683%0.82684%0.842SS**  trans-166.862.5173.100000110.7
210A44.9Very low47Very low105 Ų105150.9 Ų150.987%0.86884%0.844SS**SBendtrans-158.954.8178.900000114
211A47Very low47.2Very low106 Ų106152 Ų15288%0.87685%0.849SS**SBendtrans-162.4-13.7165.800000116.9
212E40.5Very low46.8Very low200 Ų200149.6 Ų149.694%0.93584%0.842SS**SBendtrans-119.935.8-161.8-142.4-171.9173.700115.4
213A43Very low46.6Very low101 Ų101153.7 Ų153.784%0.83585%0.85SS**  trans-133.322-176.200000115.8
214A43.4Very low46.6Very low109 Ų109154.2 Ų154.290%0.90185%0.852SS**SBendtrans-99.67.5-17700000115.5
215A47Very low46.1Very low104 Ų104151.3 Ų151.386%0.8685%0.846SS**SBendtrans-122.32-170.300000116.2
216A43.5Very low46Very low86 Ų86146.4 Ų146.471%0.71184%0.843SS**SBendtrans-153.582.5-173.800000113.1
217E47.7Very low45.6Very low188 Ų188147.8 Ų147.888%0.87985%0.848SS**  trans172.698.7148.9-107.4177.893.100110.4
218H46.4Very low45.5Very low193 Ų193150.6 Ų150.689%0.89485%0.851SS**  trans-165.874.3146-116.4100.2000109.4
219R43Very low46.2Very low238 Ų238150.4 Ų150.490%0.89884%0.84SS**  trans-136.5125.4165.2-157177.1-167.3-164.13.5105.1
220Q45.4Very low46.3Very low182 Ų182149.9 Ų149.985%0.8584%0.836SS**  trans89.5121.8-164.9-53.8174.4-3.800110.3
221E49.9Very low46.2Very low190 Ų190156.1 Ų156.189%0.88884%0.837SS**  -150.714851.3-162.2171.4114.600112.7
222V50.7Low46.1Very low121 Ų121157.2 Ų157.273%0.73384%0.838SS**  trans-98.2124.4178.7158.50000107.7
223K49.1Very low46.4Very low179 Ų179150.3 Ų150.378%0.77882%0.821SS**  trans133.3109153.2-78.5158.7178.4-176.40111.1
224Q47.1Very low46.5Very low193 Ų193156.8 Ų156.890%0.90282%0.824SS**  168.9118114.7-88.2170.65600109.8
225S43.2Very low47.2Very low115 Ų115157.6 Ų157.680%0.80482%0.817SS**  trans-76.9145.8167.9-163.60000108.3
226P48.9Very low48Very low116 Ų116161.1 Ų161.175%0.75381%0.813SS**  -148.1151.8101.131.5-11.6000116.4
227Q46.6Very low48.6Very low187 Ų187164.4 Ų164.487%0.87482%0.819SS**  trans56.9106150.1-67.9-158.3-36.800120.9
228R45.3Very low49.3Very low243 Ų243160.5 Ų160.592%0.91781%0.81SS**  trans-79131164.1-56.9170.372.7-156.44.4109.5
229P54.5Low50.3Low102 Ų102156.4 Ų156.466%0.66280%0.795SS**  trans-78.1130.7157.521.3-11.5000109.2W231P229-W231 PolarHBondContact O-N 3.04Å
230A45.1Very low51.4Low90 Ų90152.9 Ų152.974%0.74479%0.793SS**  trans-72.7112.3177.200000110.2
231W43.5Very low52.2Low236 Ų236149.2 Ų149.289%0.89478%0.779SS**  trans-113.892.7163.6-66.6-24.9000110.3P229 G233P229-W231 PolarHBondContact O-N 3.04Å; W231-G233 VanDerWaalsContact C-N 3.33Å; W231-G233 PolarHBondContact O-N 3.43Å
232S44.8Very low52.9Low128 Ų128150 Ų15090%0.89577%0.774SS**  trans-61.592.9156.4-48.20000108.1
233G46.5Very low53.3Low55 Ų55147.2 Ų147.257%0.56776%0.764SS**  trans-140.790.3-178.700000110.5W231 V235W231-G233 VanDerWaalsContact C-N 3.33Å; W231-G233 PolarHBondContact O-N 3.43Å; G233-V235 VanDerWaalsContact C-N 3.31Å; G233-V235 PolarHBondContact O-N 3.04Å
234R45.8Very low53.6Low237 Ų237144.7 Ų144.789%0.89477%0.765SS**  trans-61.486.5173.5179.4-174.2-72.2-124.8-2109.6
235V57.8Low54.1Low127 Ų127140.6 Ų140.677%0.7776%0.758SS**  trans-99.3111.3170-171.40000108G233 N237G233-V235 VanDerWaalsContact C-N 3.31Å; G233-V235 PolarHBondContact O-N 3.04Å; V235-N237 PolarHBondContact O-N 3.11Å
236K63.4Low54.8Low177 Ų177139.8 Ų139.877%0.7775%0.75SS**PPolyproline II helixtrans-57.8121.4171.4-79.7141.5173177.40108.2
237N57Low54.7Low155 Ų155143.2 Ų143.283%0.82976%0.756SS**PPolyproline II helixtrans-50122.6171.2-77.5-21.5000109.1V235 D239V235-N237 PolarHBondContact O-N 3.11Å; N237-D239 PolarHBondContact O-N 3.34Å
238P61Low55.1Low106 Ų106140 Ų14069%0.68876%0.755SS**PPolyproline II helixtrans-67.1127.1177.127-31.2000108.7L240P238-L240 PolarHBondContact O-N 3.31Å; P238-L240 VanDerWaalsContact O-N 3.11Å
239D68.4Low55.6Low108 Ų108133.9 Ų133.958%0.57875%0.749SS**  trans-70.1105.6178.8-176.62.2000109.9N237 N241 R242N237-D239 PolarHBondContact O-N 3.34Å; D239-N241 PolarHBondContact O-N 2.86Å; D239-N241 WeakPolarHBondContact OD1-CB 3.4Å; D239-N241 PolarHBondContact OD1-N 3.27Å; D239-R242 PolarHBondContact O-N 3.07Å
240L66.1Low55.9Low164 Ų164136.2 Ų136.286%0.85976%0.756SS**THydrogen-bonded Turntrans-68.94.2-179.7-66.9167.6000113.5P238P238-L240 PolarHBondContact O-N 3.31Å; P238-L240 VanDerWaalsContact O-N 3.11Å
241N61.8Low56.1Low104 Ų104136 Ų13656%0.55675%0.754SS**THydrogen-bonded Turntrans-1143.7-178.9-57.3-38.7000114.6T90 D239 A243T90-N241 HydrophobicContact CG2-CB 4.27Å; T90-N241 WeakPolarHBondContact CG2-OD1 3.48Å; D239-N241 PolarHBondContact O-N 2.86Å; D239-N241 WeakPolarHBondContact OD1-CB 3.4Å; D239-N241 PolarHBondContact OD1-N 3.27Å; N241-A243 PolarHBondContact O-N 3.37Å
242R64.2Low56.5Low207 Ų207137.8 Ų137.878%0.78177%0.772SS**  trans-79.2106-178.8-166.8158-178.1168.6-1.3110.9D239D239-R242 PolarHBondContact O-N 3.07Å
243A59.1Low57Low63 Ų63138.3 Ų138.352%0.52177%0.766SS.*PPolyproline II helixtrans-65.4148.4168.800000110.3N241 S245N241-A243 PolarHBondContact O-N 3.37Å; A243-S245 PolarHBondContact O-N 3.49Å
244P56.6Low57.6Low125 Ų125142.7 Ų142.781%0.81278%0.776SS**PPolyproline II helixtrans-66.7123.5171.628.4-32.1000108.8P246P244-P246 WeakPolarHBondContact O-CD 3.47Å
245S56.7Low58.3Low108 Ų108137.4 Ų137.476%0.75577%0.77SS**PPolyproline II helixtrans-66128.1171.7-62.30000109.6A243A243-S245 PolarHBondContact O-N 3.49Å
246P58.1Low58.3Low98 Ų98138.1 Ų138.164%0.63677%0.77SS**PPolyproline II helixtrans-83.3156.4161.535-29.9000109.9P244P244-P246 WeakPolarHBondContact O-CD 3.47Å
247E47.1Very low58Low188 Ų188135.6 Ų135.688%0.87977%0.77SS**  trans80106.9162.3-63.3160.37900118.4
248S54.7Low58Low120 Ų120134.3 Ų134.384%0.83977%0.766SS**  -159.898.3119.3-167.20000108.9
249S56.3Low57.8Low114 Ų114136.4 Ų136.480%0.79777%0.772SS**  trans-63.5136.6151.7-87.60000109.1
250D58.8Low57Low151 Ų151138.5 Ų138.581%0.80779%0.787SS**  trans177101.7144.7-118.4-100.4000104.5
251A51.1Low56.2Low85 Ų85136.4 Ų136.470%0.70278%0.781SS**  61.185.38100000112.5
252E50.3Low55.7Low274 Ų274139.4 Ų139.4100%1.2880%0.801SS**  -168.80124.4-118.2-179.984.100110.5

Retrieved 252 of 252 residues in 186.4 ms (Link to these results)