A0A087XJX4_POEFO Loading...

DNL-type zinc finger

AlphaFold DB , UniProt , Accession A0A087XJX4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 191 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
1M40.6Very low39Very low236 Ų236158.7 Ų158.7100%1.16380%0.8SS**  087.40-55.9-154.8174.800106
2L36.2Very low38.7Very low147 Ų147160 Ų16077%0.7780%0.801SS**  39.310875-79.5153.6000108.9L4L2-L4 HydrophobicContact CD2-CD1 3.99Å
3V40.1Very low38.5Very low132 Ų132160.8 Ų160.880%0.880%0.796SS**  -151.3121.359.1-154.50000106.8
4L40.1Very low38.4Very low126 Ų126158.6 Ų158.666%0.6680%0.8SS**  37.8129.681-78.4148.8000111.4L2L2-L4 HydrophobicContact CD2-CD1 3.99Å
5Q40.9Very low38.5Very low159 Ų159163.1 Ų163.174%0.74380%0.803SS**  cis-169.5135.935.5-154.2153.9-53.800109.5
6R46.8Very low38.3Very low231 Ų231157.2 Ų157.287%0.87280%0.798SS**  trans-32.4149.2146.8-77.8163.4150.9175.9-7113.3
7C40Very low38.4Very low127 Ų127161.4 Ų161.486%0.85880%0.801SS**  -164.7122.1120.7-99.80000112.6
8L39.8Very low38.5Very low154 Ų154160.2 Ų160.281%0.80680%0.798SS**  trans-79157.2161.8-85147.3000109.8
9F33.3Very low38.6Very low174 Ų174159.8 Ų159.876%0.76380%0.798SS**  trans68.8134.5141-101.2-126.6000121
10L35.8Very low38.8Very low126 Ų126155.8 Ų155.866%0.6679%0.791SS**  trans89.1121.5138.2-84.4165.2000120.2
11L35.4Very low38.9Very low134 Ų134152.7 Ų152.770%0.70278%0.784SS**  trans77.9133.7146.8-52165.6000113.6
12E35.9Very low39.3Very low174 Ų174148.7 Ų148.781%0.81377%0.766SS**  -161.4157.452.2-107.2120.2171.700112.5
13F35.7Very low40Very low170 Ų170149.2 Ų149.275%0.74677%0.769SS**  trans-45.7162.1158.9-83.9-107.3000113.7R15F13-R15 HydrophobicContact CD1-CG 4.45Å
14P37.1Very low40.1Very low130 Ų130147.3 Ų147.384%0.84476%0.761SS**  trans-123.9115.6133.432.4-21.6000111.7
15R39.8Very low40.4Very low226 Ų226152.4 Ų152.485%0.85377%0.772SS**  trans-99.1122.1157.3-90.8-177.3168.2146.1-2.5109F13F13-R15 HydrophobicContact CD1-CG 4.45Å
16G34.9Very low40.3Very low69 Ų69149.2 Ų149.271%0.71177%0.766SS**  trans84.9159.1153.300000116.6
17R41.1Very low40Very low228 Ų228148.2 Ų148.286%0.8676%0.764SS**  cis-174.7144.6-7.3-110.1-177.9-161.1-121.44106.3
18L38.9Very low40.3Very low140 Ų140150.9 Ų150.973%0.73376%0.763SS**  trans67.4144.8148.8-62.3155.7000117.3
19L41.1Very low40.2Very low153 Ų153152.9 Ų152.980%0.80176%0.76SS**  cis-158.9146.841.8-130.2116000111
20A41.9Very low40.7Very low80 Ų80154 Ų15466%0.66176%0.759SS**  trans64144.4138.700000120.7
21S42.3Very low41.3Very low91 Ų91154.2 Ų154.264%0.63677%0.765SS**  cis-180169.8-4.243.10000107.5
22L47.4Very low41.4Very low152 Ų152154.9 Ų154.980%0.79677%0.769SS**  trans86.2114.6159.9-47.2179.3000114.9
23L51.8Low41.7Very low158 Ų158150 Ų15083%0.82776%0.759SS**  cis-147.913015.2-72.6168.7000111.8
24S42.8Very low41.8Very low91 Ų91147 Ų14764%0.63676%0.759SS**  trans-73.6143.1155.6177.60000110.2
25R45.2Very low42.4Very low234 Ų234152 Ų15288%0.88376%0.761SS**  trans-163109.4130.9-99.1165-142.6-110.66.1106.2
26C40.1Very low42.5Very low92 Ų92146.5 Ų146.562%0.62276%0.755SS**  61.2135.383.2-64.30000110.6
27Y39.9Very low43Very low210 Ų210148.6 Ų148.682%0.82476%0.757SS**  cis179.5159.64-136.2-109.9000102.4R29Y27-R29 PolarHBondContact O-N 3.44Å
28H46.2Very low43.4Very low182 Ų182144.4 Ų144.484%0.84376%0.757SS**  trans-2.5118.4155.1-106.3-90.5000118.4
29R37.9Very low43.7Very low196 Ų196144 Ų14474%0.7475%0.754SS**  trans-166.9136.7155.7-137175.6-175.2-142.84.3108.6Y27Y27-R29 PolarHBondContact O-N 3.44Å
30R44.1Very low43.4Very low199 Ų199144.3 Ų144.375%0.75175%0.75SS**  cis-167.3147.5-10.4-114.8178.3-163.1-172.60.8104.7
31V47.9Very low43.2Very low130 Ų130149 Ų14979%0.78876%0.757SS**  trans-55.1129.7152.3174.30000109
32N36.7Very low43.2Very low147 Ų147154.7 Ų154.779%0.78677%0.765SS**  -172.9127.3119.5-130.36.2000115.2
33A42.3Very low42.8Very low72 Ų72153.8 Ų153.860%0.59577%0.768SS**  64.9142.412600000123
34S38.6Very low42.2Very low108 Ų108150.9 Ų150.976%0.75576%0.757SS**  trans80.3126159.272.90000114
35R48.7Very low42.2Very low233 Ų233153.2 Ų153.288%0.87976%0.761SS**  cis-175.1-178.433-128.5171.2171.4-145.4-3108.6
36P43.5Very low42Very low112 Ų112152.7 Ų152.773%0.72776%0.759SS**  -119.5-175.3-113.438.2-19.1000114.8
37C45Very low41.7Very low112 Ų112154.1 Ų154.176%0.75777%0.765SS**  trans-38.7133.5170-44.20000116.5
38V48.6Very low41.8Very low140 Ų140155 Ų15585%0.84877%0.767SS**  trans-141.4108.2141.4-70.90000104.5
39L44.8Very low41.5Very low131 Ų131153.2 Ų153.269%0.68676%0.763SS**  58.5124.355.1-103.4176.1000113.8
40F36.6Very low41.4Very low161 Ų161149.3 Ų149.371%0.70676%0.757SS**  trans83.8116.6167-53-79.8000116.5
41H37.4Very low41.2Very low177 Ų177148.9 Ų148.982%0.81976%0.763SS**  -151.4127.557.4-86.469.7000114.4
42R41.7Very low40.9Very low212 Ų212149.7 Ų149.780%0.876%0.763SS**  trans-66.5152.9144.6-80.5178161.4-174.3-3.7109.3
43P38.7Very low40.9Very low133 Ų133148 Ų14886%0.86476%0.762SS**  trans-102.7128.414230.3-19.4000109.6
44T39.8Very low41.1Very low97 Ų97149.2 Ų149.260%0.59577%0.766SS**  trans-134.7127.3165-36.80000102.3
45I43.2Very low41.7Very low140 Ų140153.2 Ų153.272%0.71877%0.773SS**  164.913794.4-88.8178.3000108.6
46R41.1Very low41.2Very low222 Ų222149 Ų14984%0.83877%0.768SS**  trans47.6150.1143.4-68.1175.6162.4179.9-7.9120.1
47T33.1Very low41.2Very low122 Ų122151 Ų15175%0.74877%0.767SS**  cis-174140.231.2-6.20000105.6
48R42.5Very low41Very low228 Ų228153 Ų15386%0.8677%0.765SS**  166.8130.190-98.1-154.3177.5-168.20.2105.5
49L38.5Very low40.6Very low145 Ų145152.5 Ų152.576%0.75976%0.762SS**  70.2124.888.9-142.789.7000115.6
50D35.7Very low40.5Very low114 Ų114153.8 Ų153.861%0.6177%0.769SS**  trans79.2110160.4-98.4-81000119.8
51Q41.2Very low41.1Very low191 Ų191151.6 Ų151.689%0.89377%0.771SS**  -166132.893.1-101.4176-8.200113
52L40.8Very low41.7Very low147 Ų147146.9 Ų146.977%0.7776%0.762SS**  trans-66.6147.2168-72.391.4000112.2
53S36.6Very low42.2Very low112 Ų112145.3 Ų145.378%0.78376%0.764SS**  trans-163.895135.3-165.10000107.7
54S47.9Very low42.7Very low96 Ų96144.7 Ų144.767%0.67176%0.76SS**  41104.192.7-86.80000114.3
55Q49.4Very low42.9Very low193 Ų193144 Ų14490%0.90276%0.759SS**  -167.2107.3116.1-99.5162-1.700109.5
56D39Very low43.7Very low144 Ų144142.8 Ų142.877%0.7776%0.763SS**  trans-59156.6156.1-86.9-58.4000110.3
57H44.4Very low44.2Very low153 Ų153141.2 Ų141.271%0.70876%0.763SS**  169.2114.7123.8-86.7-54.4000113.4
58H39.8Very low45.5Very low155 Ų155147.3 Ų147.372%0.71877%0.772SS**  trans87.7109139.6-55.8-54.6000123.3
59V40.2Very low45.7Very low130 Ų130139.8 Ų139.879%0.78877%0.765SS**  67.9128.8122.5-170.60000119.8
60L42.3Very low46.3Very low157 Ų157142.7 Ų142.782%0.82277%0.772SS**  trans-49.3157.5171.3-61168.2000113.4
61P50.5Low47Very low116 Ų116142.4 Ų142.475%0.75378%0.779SS**  -135.9155105.830.3-15.5000114
62A48.8Very low47.8Very low77 Ų77138 Ų13864%0.63677%0.77SS**  trans-61.5-176.3164.500000111.3
63H53.6Low48.7Very low179 Ų179135.7 Ų135.783%0.82977%0.765SS**  trans91.8112.9-179.6-44.4-80000114
64P48.1Very low50Low120 Ų120135.6 Ų135.678%0.77976%0.762SS**  -123.4115.6115.65.414.9000108.9
65S45Very low50.2Low83 Ų83137.2 Ų137.258%0.5877%0.771SS**  70.797.291.4750000112.5F67S65-F67 PolarHBondContact O-N 3.07Å
66S58.6Low50.3Low115 Ų115132.1 Ų132.180%0.80476%0.761SS**  trans-49.7113.6152.6-171.80000109.6
67F51.6Low51.3Low189 Ų189134.6 Ų134.683%0.82976%0.76SS**  trans-137.6120.9154.6-80.8-76.4000109.1S65S65-F67 PolarHBondContact O-N 3.07Å
68R60.9Low52Low250 Ų250136.5 Ų136.594%0.94377%0.769SS**  trans-61.6138.4168.7-67171.5-177-107.4-0.4109
69G46.8Very low53.1Low70 Ų70135.4 Ų135.472%0.72276%0.764SS**  trans-161.498.7167.800000109.9S71G69-S71 PolarHBondContact O-N 3.18Å; G69-S71 VanDerWaalsContact O-N 3.08Å
70F51.1Low54.5Low205 Ų205133 Ų13390%0.89976%0.758SS**  trans-64.4104.3167.7-154.9-92.3000106.8
71S51.2Low55.3Low108 Ų108134 Ų13476%0.75576%0.764SS**  trans-119.491.2168.6-158.40000107.3G69 S73G69-S71 PolarHBondContact O-N 3.18Å; G69-S71 VanDerWaalsContact O-N 3.08Å; S71-S73 PolarHBondContact O-N 3Å
72S56.5Low56.1Low100 Ų100132 Ų13270%0.69976%0.763SS**  trans-62.882.6161.449.60000107.6
73S61.1Low57.1Low97 Ų97136.5 Ų136.568%0.67877%0.769SS**  trans-59.6132.8166.150.90000107.8S71S71-S73 PolarHBondContact O-N 3Å
74P63.9Low58Low110 Ų110136.1 Ų136.171%0.71477%0.771SS**  trans-56.8151.2178.225.3-32.8000109.4A76P74-A76 PolarHBondContact O-N 2.95Å
75P51Low59.2Low131 Ų131136.7 Ų136.785%0.85176%0.763SS**  trans-56105-178.223.6-32.7000108.6R77P75-R77 PolarHBondContact O-N 2.91Å
76A52.9Low60.6Low85 Ų85136.9 Ų136.970%0.70276%0.764SS**  trans-57.2112.7164.200000104.5P74 E78P74-A76 PolarHBondContact O-N 2.95Å; A76-E78 PolarHBondContact O-N 3.4Å
77R59.9Low62.1Low197 Ų197135.9 Ų135.974%0.74375%0.754SS**  trans-34.1110.7167.753.6-169.8-175.9-87.7-7.6108.4P75 E79P75-R77 PolarHBondContact O-N 2.91Å; R77-E79 HydrophobicContact CB-CG 4.47Å; R77-E79 WeakPolarHBondContact CD-OE1 3.33Å; R77-E79 HydrophobicContact CG-CG 4.11Å; R77-E79 IonicContact NE-OE1 3.45Å; R77-E79 PolarHBondContact NE-OE1 3.08Å; R77-E79 PolarHBondContact O-N 3.27Å
78E57.7Low63.9Low193 Ų193131.5 Ų131.590%0.90274%0.735SS**  trans-6682.7166.2-81-164.2157.900106.4A76 A80A76-E78 PolarHBondContact O-N 3.4Å; E78-A80 PolarHBondContact O-N 3.24Å
79E64.2Low65.3Low131 Ų131122.6 Ų122.661%0.61270%0.702SS**  trans-73.388.5163.9-77.6179.7-168.900105.9R77 L81R77-E79 HydrophobicContact CB-CG 4.47Å; R77-E79 WeakPolarHBondContact CD-OE1 3.33Å; R77-E79 HydrophobicContact CG-CG 4.11Å; R77-E79 IonicContact NE-OE1 3.45Å; R77-E79 PolarHBondContact NE-OE1 3.08Å; R77-E79 PolarHBondContact O-N 3.27Å; E79-L81 PolarHBondContact O-N 3.21Å
80A68.6Low67.5Low81 Ų81124.3 Ų124.367%0.66969%0.691SS**  trans-48.2103.2172.800000109.5E78 G82E78-A80 PolarHBondContact O-N 3.24Å; A80-G82 VanDerWaalsContact C-N 3.34Å; A80-G82 PolarHBondContact O-N 2.99Å
81L59.1Low69.4Low178 Ų178115.4 Ų115.493%0.93265%0.653SS**THydrogen-bonded Turntrans-67.691.9176.8-60.1174.3000107.5E79E79-L81 PolarHBondContact O-N 3.21Å
82G66.9Low71.4Confident72 Ų72113.1 Ų113.174%0.74263%0.634SS**THydrogen-bonded Turntrans158.3-12.5-178.500000115.6A80 I84A80-G82 VanDerWaalsContact C-N 3.34Å; A80-G82 PolarHBondContact O-N 2.99Å; G82-I84 PolarHBondContact O-N 3.46Å
83K69.6Low73.1Confident173 Ų173109.9 Ų109.975%0.75261%0.607SS**  trans-85.6104.3174.2-130.9165.6-171.8178.10109.9Q85K83-Q85 VanDerWaalsContact C-N 3.28Å; K83-Q85 PolarHBondContact O-N 2.94Å
84I74.3Confident74.6Confident171 Ų171109.2 Ų109.288%0.87760%0.599SS**  trans-66.193168-58.5173.7000106.8G82G82-I84 PolarHBondContact O-N 3.46Å
85Q71.9Confident76Confident132 Ų132104 Ų10462%0.61757%0.565SS**  trans-76.6131.9174.7-62.4-168.629.500108.8K83 T87K83-Q85 VanDerWaalsContact C-N 3.28Å; K83-Q85 PolarHBondContact O-N 2.94Å; Q85-T87 PolarHBondContact O-N 2.98Å; Q85-T87 VanDerWaalsContact O-N 3.16Å
86S75.7Confident77.9Confident87 Ų87104.4 Ų104.461%0.60855%0.554SS**  trans-59119.317142.60000109.8H88S86-H88 PolarHBondContact O-N 3.43Å
87T88.4Confident79.9Confident94 Ų94105.7 Ų105.758%0.57755%0.552SS**SBendtrans-77.6-12.4-179.251.90000112.6Q85 K108Q85-T87 PolarHBondContact O-N 2.98Å; Q85-T87 VanDerWaalsContact O-N 3.16Å; T87-K108 WeakPolarHBondContact O-CB 3.34Å; T87-K108 PolarHBondContact O-N 3.02Å
88H90.8Very high81.6Confident96 Ų9698.3 Ų98.344%0.44453%0.531SS..EExtended strand (participates in β ladder)trans-129.9148.6-174-60-80.1000112.4S86 I106S86-H88 PolarHBondContact O-N 3.43Å; H88-I106 CarbonylContact C-O 3.6Å; H88-I106 WeakPolarHBondContact CA-O 3.24Å; H88-I106 WeakPolarHBondContact CB-O 3.2Å
89Y90.7Very high83.3Confident63 Ų6393.6 Ų93.625%0.24752%0.519CS..EExtended strand (participates in β ladder)trans-101.5151.6167.1-64.3-55000111R105 I106 K108 Y111 H112Y89-R105 CarbonylContact O-C 3.53Å; Y89-R105 WeakPolarHBondContact O-CA 3.42Å; Y89-I106 PolarHBondContact N-O 2.87Å; Y89-I106 PolarHBondContact O-N 2.98Å; Y89-K108 HydrophobicContact CD2-CB 4.22Å; Y89-K108 HydrophobicContact CD2-CG 4.49Å; Y89-K108 HydrophobicContact CE1-CD 4.4Å; Y89-K108 HydrophobicContact CE1-CG 4.5Å; Y89-K108 HydrophobicContact CE2-CB 3.84Å; Y89-K108 HydrophobicContact CE2-CD 4.38Å; Y89-K108 HydrophobicContact CE2-CG 3.64Å; Y89-K108 WeakPolarHBondContact OH-CE 3.09Å; Y89-Y111 HydrophobicContact CD2-CG 4.39Å; Y89-Y111 HydrophobicContact CE2-CD1 4.17Å; Y89-Y111 HydrophobicContact CE2-CG 4.4Å; Y89-H112 AromaticContact CE2-NE2 3.71Å; Y89-H112 AromaticContact CZ-NE2 3.79Å; Y89-H112 PolarHBondContact OH-NE2 3.45Å
90H91.9Very high84.8Confident106 Ų10689.7 Ų89.749%0.49150%0.504SS..EExtended strand (participates in β ladder)trans-96.6107.2165.9-66.769.3000108.8R105H90-R105 PolarHBondContact CE1-NH2 2.88Å; H90-R105 VanDerWaalsContact CE1-NH2 3.31Å; H90-R105 PolarHBondContact NE2-NE 2.87Å; H90-R105 PolarHBondContact NE2-NH1 3.19Å; H90-R105 PolarHBondContact NE2-NH2 3.36Å
91L91.6Very high86.1Confident19 Ų1994.7 Ų94.710%0.09951%0.506CS..EExtended strand (participates in β ladder)trans-87124.1174.5176.369.2000108.9Y93 M103 Q104 I106 V118 I129L91-Y93 HydrophobicContact CD2-CD1 3.91Å; L91-Y93 HydrophobicContact CD2-CE1 4.42Å; L91-Y93 HydrophobicContact CG-CD1 4.07Å; L91-M103 CarbonylContact O-C 3.59Å; L91-M103 VanDerWaalsContact O-CA 3.28Å; L91-M103 WeakPolarHBondContact O-CA 3.41Å; L91-Q104 PolarHBondContact N-O 3.44Å; L91-Q104 PolarHBondContact O-N 3.07Å; L91-I106 HydrophobicContact CB-CD1 4.17Å; L91-I106 HydrophobicContact CB-CG1 4.41Å; L91-I106 HydrophobicContact CB-CG2 4.34Å; L91-I106 HydrophobicContact CD2-CG2 4.41Å; L91-V118 HydrophobicContact CD2-CG1 4.2Å; L91-I129 HydrophobicContact CD1-CG2 4.22Å; L91-I129 HydrophobicContact CD2-CB 4.41Å; L91-I129 HydrophobicContact CD2-CD1 3.85Å; L91-I129 HydrophobicContact CD2-CG1 3.71Å; L91-I129 HydrophobicContact CD2-CG2 3.9Å
92V92.6Very high87.6Confident60 Ų6086.8 Ų86.836%0.36447%0.466SS..EExtended strand (participates in β ladder)trans-119120167.4-176.90000107.7R101 M103V92-R101 HydrophobicContact CG1-CG 4.19Å; V92-R101 VanDerWaalsContact CG1-NE 3.34Å; V92-M103 HydrophobicContact CG2-CB 4.26Å; V92-M103 HydrophobicContact CG2-CE 3.55Å; V92-M103 HydrophobicContact CG2-CG 3.93Å
93Y91.7Very high88.9Confident31 Ų3189.6 Ų89.612%0.12246%0.461CS..EExtended strand (participates in β ladder)trans-138.6160.9-179.177.5-81.7000111.2L91 C95 R101 S102 V118L91-Y93 HydrophobicContact CD2-CD1 3.91Å; L91-Y93 HydrophobicContact CD2-CE1 4.42Å; L91-Y93 HydrophobicContact CG-CD1 4.07Å; Y93-C95 HydrophobicContact CE2-CB 4.37Å; Y93-R101 CarbonylContact O-C 3.41Å; Y93-R101 WeakPolarHBondContact O-CA 3.4Å; Y93-S102 PolarHBondContact N-O 3.44Å; Y93-S102 PolarHBondContact O-N 3.28Å; Y93-V118 HydrophobicContact CE1-CB 4.48Å; Y93-V118 HydrophobicContact CE1-CG2 3.66Å; Y93-V118 HydrophobicContact CE2-CG2 4.45Å; Y93-V118 WeakPolarHBondContact OH-CG2 3.33Å
94T93.9Very high90Very high83 Ų8384.3 Ų84.351%0.50944%0.439SS..EExtended strand (participates in β ladder)trans-113.1124.4172.8-58.10000108.6K96T94-K96 PolarHBondContact O-N 2.98Å
95C93.4Very high90.9Very high2 Ų284.7 Ų84.71%0.01443%0.429CS..  trans-66.1129177.9173.50000110.6Y93 V97 C98 S99 T100 H127Y93-C95 HydrophobicContact CE2-CB 4.37Å; C95-V97 VanDerWaalsContact C-N 3.31Å; C95-V97 PolarHBondContact O-N 3.23Å; C95-V97 PolarHBondContact SG-N 3.34Å; C95-V97 VanDerWaalsContact SG-N 3.36Å; C95-C98 PolarHBondContact SG-SG 2.91Å; C95-S99 WeakPolarHBondContact O-CA 3.11Å; C95-S99 PolarHBondContact O-N 3.42Å; C95-T100 PolarHBondContact N-O 3.48Å; C95-H127 PolarHBondContact SG-CE1 2.85Å; C95-H127 PolarHBondContact SG-NE2 2.86Å
96K90.5Very high91.9Very high138 Ų13879 Ų7960%0.640%0.403SS*.THydrogen-bonded Turntrans-71.6-23.2178.8-65-163.6175.7-157.30113.8T94T94-K96 PolarHBondContact O-N 2.98Å
97V93.7Very high92.8Very high112 Ų11277 Ų7768%0.67939%0.389SS*.THydrogen-bonded Turntrans-81.4-45.2-177.7-177.40000111.5C95C95-V97 VanDerWaalsContact C-N 3.31Å; C95-V97 PolarHBondContact O-N 3.23Å; C95-V97 PolarHBondContact SG-N 3.34Å; C95-V97 VanDerWaalsContact SG-N 3.36Å
98C95.6Very high93Very high43 Ų4375.6 Ų75.629%0.29138%0.375SS..THydrogen-bonded Turntrans-118.64.9-173.867.20000114.3C95 T100 C120 C123C95-C98 PolarHBondContact SG-SG 2.91Å; C98-T100 PolarHBondContact O-N 2.84Å; C98-T100 PolarHBondContact O-OG1 2.85Å; C98-T100 PolarHBondContact SG-OG1 3.47Å; C98-C120 VanDerWaalsContact SG-SG 3.67Å; C98-C123 HydrophobicContact CB-CB 4.1Å; C98-C123 PolarHBondContact SG-N 3.2Å; C98-C123 VanDerWaalsContact SG-N 3.45Å
99S95.3Very high93Very high94 Ų9475.5 Ų75.566%0.65738%0.381SS*.  trans55.414.8179.7-57.80000115.3C95C95-S99 WeakPolarHBondContact O-CA 3.11Å; C95-S99 PolarHBondContact O-N 3.42Å
100T95.6Very high93.1Very high49 Ų4974.1 Ų74.130%0.30138%0.382SS..  trans-78.6127178.6-50.50000109.8C95 C98C95-T100 PolarHBondContact N-O 3.48Å; C98-T100 PolarHBondContact O-N 2.84Å; C98-T100 PolarHBondContact O-OG1 2.85Å; C98-T100 PolarHBondContact SG-OG1 3.47Å
101R94.6Very high93.1Very high185 Ų18569.7 Ų69.770%0.69836%0.361SS*.EExtended strand (participates in β ladder)trans-79.4132.8172.1-167.8-179.9-176.2-147.45.3109.6V92 Y93V92-R101 HydrophobicContact CG1-CG 4.19Å; V92-R101 VanDerWaalsContact CG1-NE 3.34Å; Y93-R101 CarbonylContact O-C 3.41Å; Y93-R101 WeakPolarHBondContact O-CA 3.4Å
102S91.7Very high93Very high13 Ų1372.6 Ų72.69%0.09137%0.374CS..EExtended strand (participates in β ladder)trans-135.6145.6179.1-68.90000110.6Y93Y93-S102 PolarHBondContact N-O 3.44Å; Y93-S102 PolarHBondContact O-N 3.28Å
103M92.6Very high92.9Very high130 Ų13077.3 Ų77.364%0.6439%0.39SS*.EExtended strand (participates in β ladder)trans-117.5128.4175.9-178.9-177.5-70.100109.2L91 V92L91-M103 CarbonylContact O-C 3.59Å; L91-M103 VanDerWaalsContact O-CA 3.28Å; L91-M103 WeakPolarHBondContact O-CA 3.41Å; V92-M103 HydrophobicContact CG2-CB 4.26Å; V92-M103 HydrophobicContact CG2-CE 3.55Å; V92-M103 HydrophobicContact CG2-CG 3.93Å
104Q92.8Very high92.8Very high62 Ų6276.5 Ų76.529%0.2939%0.39SS..EExtended strand (participates in β ladder)trans-135.2146.2-177.8-70.6-98.5-1.400109.1L91 V118 T119L91-Q104 PolarHBondContact N-O 3.44Å; L91-Q104 PolarHBondContact O-N 3.07Å; Q104-V118 HydrophobicContact CB-CG1 4.42Å; Q104-V118 HydrophobicContact CG-CB 4.41Å; Q104-V118 HydrophobicContact CG-CG1 4.29Å; Q104-T119 PolarHBondContact NE2-O 3.04Å
105R93.5Very high92.7Very high180 Ų18074.1 Ų74.168%0.67938%0.376SS*.EExtended strand (participates in β ladder)trans-95.7124.6170.5-84.8179144.7112.5-10.1109.2Y89 H90Y89-R105 CarbonylContact O-C 3.53Å; Y89-R105 WeakPolarHBondContact O-CA 3.42Å; H90-R105 PolarHBondContact CE1-NH2 2.88Å; H90-R105 VanDerWaalsContact CE1-NH2 3.31Å; H90-R105 PolarHBondContact NE2-NE 2.87Å; H90-R105 PolarHBondContact NE2-NH1 3.19Å; H90-R105 PolarHBondContact NE2-NH2 3.36Å
106I94.3Very high92.7Very high13 Ų1374.6 Ų74.67%0.06738%0.379CS..EExtended strand (participates in β ladder)trans-121.8148.8-177.266.1173.4000110.4H88 Y89 L91 Y111 V116H88-I106 CarbonylContact C-O 3.6Å; H88-I106 WeakPolarHBondContact CA-O 3.24Å; H88-I106 WeakPolarHBondContact CB-O 3.2Å; Y89-I106 PolarHBondContact N-O 2.87Å; Y89-I106 PolarHBondContact O-N 2.98Å; L91-I106 HydrophobicContact CB-CD1 4.17Å; L91-I106 HydrophobicContact CB-CG1 4.41Å; L91-I106 HydrophobicContact CB-CG2 4.34Å; L91-I106 HydrophobicContact CD2-CG2 4.41Å; I106-Y111 HydrophobicContact CD1-CD2 3.71Å; I106-Y111 HydrophobicContact CD1-CE2 4.46Å; I106-Y111 HydrophobicContact CD1-CG 4.34Å; I106-V116 HydrophobicContact CB-CG1 4.36Å; I106-V116 HydrophobicContact CG2-CG1 3.96Å
107S93.5Very high92.8Very high44 Ų4471.9 Ų71.931%0.30837%0.37SS..EExtended strand (participates in β ladder)trans-71.3137.5175.6169.50000111V109 A110 Y111S107-V109 VanDerWaalsContact C-N 3.28Å; S107-V109 PolarHBondContact O-N 2.78Å; S107-V109 PolarHBondContact OG-N 2.97Å; S107-A110 PolarHBondContact O-N 2.97Å; S107-Y111 PolarHBondContact O-N 2.68Å; S107-Y111 VanDerWaalsContact O-N 3.1Å
108K92.3Very high92.9Very high64 Ų6466.8 Ų66.828%0.27834%0.339SS..Hα-helixtrans-59.2-41.6174.3179.3168.1-177.4-177.30111.2T87 Y89 Y111 H112T87-K108 WeakPolarHBondContact O-CB 3.34Å; T87-K108 PolarHBondContact O-N 3.02Å; Y89-K108 HydrophobicContact CD2-CB 4.22Å; Y89-K108 HydrophobicContact CD2-CG 4.49Å; Y89-K108 HydrophobicContact CE1-CD 4.4Å; Y89-K108 HydrophobicContact CE1-CG 4.5Å; Y89-K108 HydrophobicContact CE2-CB 3.84Å; Y89-K108 HydrophobicContact CE2-CD 4.38Å; Y89-K108 HydrophobicContact CE2-CG 3.64Å; Y89-K108 WeakPolarHBondContact OH-CE 3.09Å; K108-Y111 PolarHBondContact O-N 2.78Å; K108-H112 PolarHBondContact O-CD2 2.95Å; K108-H112 PolarHBondContact O-N 3.38Å
109V92.4Very high92.9Very high95 Ų9567.6 Ų67.658%0.57634%0.343SS*.Hα-helixtrans-65.2-43179.6-179.70000111S107 Y111 H112 K113S107-V109 VanDerWaalsContact C-N 3.28Å; S107-V109 PolarHBondContact O-N 2.78Å; S107-V109 PolarHBondContact OG-N 2.97Å; V109-Y111 VanDerWaalsContact C-N 3.34Å; V109-Y111 PolarHBondContact O-N 2.72Å; V109-H112 PolarHBondContact O-N 2.86Å; V109-K113 HydrophobicContact CG1-CD 4.38Å; V109-K113 WeakPolarHBondContact O-CB 3.41Å; V109-K113 PolarHBondContact O-N 3.39Å
110A92.3Very high92.9Very high33 Ų3363.1 Ų63.127%0.27331%0.311SS..Hα-helixtrans-64.7-39.3-179.900000111.9S107 H112 G114 V116S107-A110 PolarHBondContact O-N 2.97Å; A110-H112 PolarHBondContact O-N 3.23Å; A110-G114 CarbonylContact O-C 3.6Å; A110-G114 VanDerWaalsContact O-CA 3.26Å; A110-G114 WeakPolarHBondContact O-CA 3.15Å; A110-G114 PolarHBondContact O-N 3.41Å; A110-V116 HydrophobicContact CB-CG2 3.81Å
111Y92Very high92.8Very high14 Ų1467.7 Ų67.76%0.05533%0.329CS..Hα-helixtrans-64.5-38.1177.9-176.2-94.6000113.4Y89 I106 S107 K108 V109 I129 A130 N132 N144 I145 E146Y89-Y111 HydrophobicContact CD2-CG 4.39Å; Y89-Y111 HydrophobicContact CE2-CD1 4.17Å; Y89-Y111 HydrophobicContact CE2-CG 4.4Å; I106-Y111 HydrophobicContact CD1-CD2 3.71Å; I106-Y111 HydrophobicContact CD1-CE2 4.46Å; I106-Y111 HydrophobicContact CD1-CG 4.34Å; S107-Y111 PolarHBondContact O-N 2.68Å; S107-Y111 VanDerWaalsContact O-N 3.1Å; K108-Y111 PolarHBondContact O-N 2.78Å; V109-Y111 VanDerWaalsContact C-N 3.34Å; V109-Y111 PolarHBondContact O-N 2.72Å; Y111-I129 HydrophobicContact CD2-CG2 4.47Å; Y111-I129 HydrophobicContact CE2-CG2 4.26Å; Y111-A130 HydrophobicContact CD2-CB 4.22Å; Y111-N132 PolarHBondContact O-ND2 2.87Å; Y111-N144 WeakPolarHBondContact CE1-ND2 3.48Å; Y111-N144 PolarHBondContact OH-OD1 3.09Å; Y111-I145 HydrophobicContact CE2-CD1 4.12Å; Y111-I145 HydrophobicContact CE2-CG1 4.06Å; Y111-I145 WeakPolarHBondContact OH-CD1 3.25Å; Y111-I145 WeakPolarHBondContact OH-CG1 3.46Å; Y111-E146 PolarHBondContact OH-OE1 3.31Å
112H89.6Confident92.8Very high79 Ų7960.6 Ų60.637%0.36631%0.314SS..Hα-helixtrans-90.7-32.3-175.9-72.1-64.3000114.3Y89 K108 V109 A110 N132Y89-H112 AromaticContact CE2-NE2 3.71Å; Y89-H112 AromaticContact CZ-NE2 3.79Å; Y89-H112 PolarHBondContact OH-NE2 3.45Å; K108-H112 PolarHBondContact O-CD2 2.95Å; K108-H112 PolarHBondContact O-N 3.38Å; V109-H112 PolarHBondContact O-N 2.86Å; A110-H112 PolarHBondContact O-N 3.23Å; H112-N132 PolarHBondContact O-ND2 2.97Å
113K89.9Confident93Very high160 Ų16061.3 Ų61.370%0.69632%0.319SS*.Hα-helixtrans-120.7-9.2-170.7-60.2-172.9-179.8-178.50114.1V109V109-K113 HydrophobicContact CG1-CD 4.38Å; V109-K113 WeakPolarHBondContact O-CB 3.41Å; V109-K113 PolarHBondContact O-N 3.39Å
114G89.8Confident93.1Very high13 Ų1363 Ų6313%0.13432%0.323CS..SBendtrans-129.1-160.1-172.400000113.1A110 N132A110-G114 CarbonylContact O-C 3.6Å; A110-G114 VanDerWaalsContact O-CA 3.26Å; A110-G114 WeakPolarHBondContact O-CA 3.15Å; A110-G114 PolarHBondContact O-N 3.41Å; G114-N132 PolarHBondContact O-N 2.81Å; G114-N132 PolarHBondContact O-ND2 2.88Å
115V90.9Very high93.2Very high33 Ų3364.7 Ų64.720%0.233%0.334CS..EExtended strand (participates in β ladder)trans-111.3132.6175.6-1740000108.6I117 A130 D131 L133 W135 F136V115-I117 HydrophobicContact CG1-CD1 4.31Å; V115-I117 HydrophobicContact CG1-CG1 4.05Å; V115-A130 CarbonylContact C-O 3.26Å; V115-A130 VanDerWaalsContact CA-O 3.25Å; V115-A130 WeakPolarHBondContact CA-O 3.46Å; V115-A130 WeakPolarHBondContact CG1-O 3.44Å; V115-D131 HydrophobicContact CG1-CB 4.49Å; V115-D131 WeakPolarHBondContact CG2-OD1 3.35Å; V115-L133 HydrophobicContact CG2-CB 4Å; V115-L133 HydrophobicContact CG2-CD1 4.15Å; V115-L133 HydrophobicContact CG2-CG 4.17Å; V115-W135 HydrophobicContact CG2-CD2 4.21Å; V115-W135 HydrophobicContact CG2-CE3 4.25Å; V115-W135 HydrophobicContact CG2-CG 4.37Å; V115-F136 HydrophobicContact CG1-CE2 3.94Å
116V93.7Very high93.1Very high13 Ų1362.5 Ų62.58%0.07933%0.331CS..EExtended strand (participates in β ladder)trans-120.9117.1178.1-179.20000109I106 A110 V118 I129 A130I106-V116 HydrophobicContact CB-CG1 4.36Å; I106-V116 HydrophobicContact CG2-CG1 3.96Å; A110-V116 HydrophobicContact CB-CG2 3.81Å; V116-V118 HydrophobicContact CG1-CG1 4.37Å; V116-I129 HydrophobicContact CB-CB 4.24Å; V116-I129 HydrophobicContact CG1-CB 4.09Å; V116-I129 HydrophobicContact CG1-CG1 4.42Å; V116-I129 PolarHBondContact O-N 2.89Å; V116-A130 HydrophobicContact CB-CB 4.34Å; V116-A130 HydrophobicContact CG2-CB 4.37Å; V116-A130 PolarHBondContact N-O 3.18Å; V116-A130 PolarHBondContact O-N 3.38Å
117I93.8Very high93Very high80 Ų8063.7 Ų63.741%0.4134%0.336SS..EExtended strand (participates in β ladder)trans-119.2128.3177.6-55.2176000107.9V115 H126 H127 F136V115-I117 HydrophobicContact CG1-CD1 4.31Å; V115-I117 HydrophobicContact CG1-CG1 4.05Å; I117-H126 HydrophobicContact CG2-CB 3.64Å; I117-H127 WeakPolarHBondContact CA-O 3.37Å; I117-F136 HydrophobicContact CD1-CE2 4.09Å; I117-F136 HydrophobicContact CD1-CZ 3.89Å
118V94.2Very high92.8Very high6 Ų664.5 Ų64.54%0.03634%0.336CS..EExtended strand (participates in β ladder)trans-117.5142.7178.1-61.20000110.5L91 Y93 Q104 V116 H126 H127 I129L91-V118 HydrophobicContact CD2-CG1 4.2Å; Y93-V118 HydrophobicContact CE1-CB 4.48Å; Y93-V118 HydrophobicContact CE1-CG2 3.66Å; Y93-V118 HydrophobicContact CE2-CG2 4.45Å; Y93-V118 WeakPolarHBondContact OH-CG2 3.33Å; Q104-V118 HydrophobicContact CB-CG1 4.42Å; Q104-V118 HydrophobicContact CG-CB 4.41Å; Q104-V118 HydrophobicContact CG-CG1 4.29Å; V116-V118 HydrophobicContact CG1-CG1 4.37Å; V118-H126 CarbonylContact O-C 3.2Å; V118-H126 WeakPolarHBondContact O-CA 3.39Å; V118-H127 HydrophobicContact CG2-CB 4.03Å; V118-H127 PolarHBondContact N-O 3.4Å; V118-H127 PolarHBondContact O-N 2.81Å; V118-I129 HydrophobicContact CB-CG1 4.43Å; V118-I129 HydrophobicContact CG1-CG1 3.94Å; V118-I129 HydrophobicContact CG2-CD1 3.72Å; V118-I129 HydrophobicContact CG2-CG1 3.67Å
119T95.5Very high92.8Very high59 Ų5961.9 Ų61.936%0.36233%0.325SS..EExtended strand (participates in β ladder)trans-89.8126.8172.8-52.40000109.4Q104 H126Q104-T119 PolarHBondContact NE2-O 3.04Å; T119-H126 PolarHBondContact OG1-CE1 2.91Å; T119-H126 PolarHBondContact OG1-ND1 3.21Å
120C95.3Very high92.6Very high0 Ų057.4 Ų57.40%030%0.298CS..  trans-82.1134.6175.4179.20000110.8C98 G122 K124 N125 H127C98-C120 VanDerWaalsContact SG-SG 3.67Å; C120-G122 VanDerWaalsContact C-N 3.28Å; C120-G122 PolarHBondContact O-N 3.16Å; C120-G122 PolarHBondContact SG-N 3.09Å; C120-G122 VanDerWaalsContact SG-N 3.39Å; C120-K124 WeakPolarHBondContact O-CA 3.19Å; C120-K124 PolarHBondContact O-N 2.99Å; C120-N125 PolarHBondContact N-O 3.23Å; C120-H127 WeakPolarHBondContact CB-CD2 3.43Å; C120-H127 WeakPolarHBondContact CB-NE2 3.12Å
121Q94.8Very high92.5Very high145 Ų14556.2 Ų56.268%0.67829%0.287SS*.THydrogen-bonded Turntrans-71.9-21.1178.7-63.3-62.4-23.600113.5
122G95Very high92.1Very high37 Ų3757.8 Ų57.838%0.38130%0.296SS..THydrogen-bonded Turntrans-80.1-62.9179.400000112.5C120C120-G122 VanDerWaalsContact C-N 3.28Å; C120-G122 PolarHBondContact O-N 3.16Å; C120-G122 PolarHBondContact SG-N 3.09Å; C120-G122 VanDerWaalsContact SG-N 3.39Å
123C95.1Very high91.8Very high28 Ų2858.8 Ų58.819%0.18930%0.304CS..THydrogen-bonded Turntrans-89.7-7.3-177.862.20000114.4C98 N125 H127C98-C123 HydrophobicContact CB-CB 4.1Å; C98-C123 PolarHBondContact SG-N 3.2Å; C98-C123 VanDerWaalsContact SG-N 3.45Å; C123-N125 PolarHBondContact O-N 2.89Å; C123-H127 PolarHBondContact SG-NE2 3.48Å
124K94.7Very high91.3Very high166 Ų16653.7 Ų53.772%0.72230%0.297SS*.  trans58.97-176.7-57.6179-176.9176.30115.2C120C120-K124 WeakPolarHBondContact O-CA 3.19Å; C120-K124 PolarHBondContact O-N 2.99Å
125N94.3Very high90.7Very high97 Ų9761.8 Ų61.852%0.51932%0.324SS..  trans-86.1162.9175.8-66.1-26.6000111.1C120 C123C120-N125 PolarHBondContact N-O 3.23Å; C123-N125 PolarHBondContact O-N 2.89Å
126H92.4Very high89.9Confident134 Ų13463.6 Ų63.662%0.6233%0.329SS*.EExtended strand (participates in β ladder)trans-87.2128.2176.1-61.6-64.6000110.4I117 V118 T119I117-H126 HydrophobicContact CG2-CB 3.64Å; V118-H126 CarbonylContact O-C 3.2Å; V118-H126 WeakPolarHBondContact O-CA 3.39Å; T119-H126 PolarHBondContact OG1-CE1 2.91Å; T119-H126 PolarHBondContact OG1-ND1 3.21Å
127H90.8Very high88.6Confident38 Ų3868.2 Ų68.218%0.17636%0.362CS..EExtended strand (participates in β ladder)trans-110.6130.1174.5-64.6-85.6000109.6C95 I117 V118 C120 C123C95-H127 PolarHBondContact SG-CE1 2.85Å; C95-H127 PolarHBondContact SG-NE2 2.86Å; I117-H127 WeakPolarHBondContact CA-O 3.37Å; V118-H127 HydrophobicContact CG2-CB 4.03Å; V118-H127 PolarHBondContact N-O 3.4Å; V118-H127 PolarHBondContact O-N 2.81Å; C120-H127 WeakPolarHBondContact CB-CD2 3.43Å; C120-H127 WeakPolarHBondContact CB-NE2 3.12Å; C123-H127 PolarHBondContact SG-NE2 3.48Å
128I90.4Very high87.4Confident60 Ų6071.1 Ų71.131%0.30838%0.378SS..EExtended strand (participates in β ladder)trans-83.1129.3176.2-58.7161.8000108.3D131 F136 L139I128-D131 HydrophobicContact CG2-CB 4.27Å; I128-F136 HydrophobicContact CD1-CB 4.15Å; I128-F136 HydrophobicContact CD1-CD1 3.7Å; I128-F136 HydrophobicContact CD1-CD2 3.53Å; I128-F136 HydrophobicContact CD1-CE1 3.9Å; I128-F136 HydrophobicContact CD1-CE2 3.73Å; I128-F136 HydrophobicContact CD1-CG 3.5Å; I128-F136 HydrophobicContact CD1-CZ 3.92Å; I128-F136 HydrophobicContact CG1-CD2 4.2Å; I128-F136 HydrophobicContact CG1-CE2 4.02Å; I128-F136 HydrophobicContact CG1-CZ 4.29Å; I128-F136 HydrophobicContact CG2-CD2 4.44Å; I128-L139 HydrophobicContact CD1-CD1 4.44Å; I128-L139 HydrophobicContact CG2-CD1 4.28Å
129I91.1Very high85.8Confident10 Ų1073.2 Ų73.25%0.05139%0.389CS..EExtended strand (participates in β ladder)trans-106.9-44.1179.4-54.8-58.1000110.5L91 Y111 V116 V118 I145L91-I129 HydrophobicContact CD1-CG2 4.22Å; L91-I129 HydrophobicContact CD2-CB 4.41Å; L91-I129 HydrophobicContact CD2-CD1 3.85Å; L91-I129 HydrophobicContact CD2-CG1 3.71Å; L91-I129 HydrophobicContact CD2-CG2 3.9Å; Y111-I129 HydrophobicContact CD2-CG2 4.47Å; Y111-I129 HydrophobicContact CE2-CG2 4.26Å; V116-I129 HydrophobicContact CB-CB 4.24Å; V116-I129 HydrophobicContact CG1-CB 4.09Å; V116-I129 HydrophobicContact CG1-CG1 4.42Å; V116-I129 PolarHBondContact O-N 2.89Å; V118-I129 HydrophobicContact CB-CG1 4.43Å; V118-I129 HydrophobicContact CG1-CG1 3.94Å; V118-I129 HydrophobicContact CG2-CD1 3.72Å; V118-I129 HydrophobicContact CG2-CG1 3.67Å; I129-I145 HydrophobicContact CG2-CG2 3.98Å; I129-I145 WeakPolarHBondContact O-CG2 3.4Å; I129-I145 PolarHBondContact O-N 3.49Å
130A89.9Confident84.2Confident1 Ų178 Ų781%0.00841%0.407CS..EExtended strand (participates in β ladder)trans-139.9138.6174.900000109.1Y111 V115 V116Y111-A130 HydrophobicContact CD2-CB 4.22Å; V115-A130 CarbonylContact C-O 3.26Å; V115-A130 VanDerWaalsContact CA-O 3.25Å; V115-A130 WeakPolarHBondContact CA-O 3.46Å; V115-A130 WeakPolarHBondContact CG1-O 3.44Å; V116-A130 HydrophobicContact CB-CB 4.34Å; V116-A130 HydrophobicContact CG2-CB 4.37Å; V116-A130 PolarHBondContact N-O 3.18Å; V116-A130 PolarHBondContact O-N 3.38Å
131D88.5Confident82.6Confident8 Ų880.8 Ų80.84%0.04344%0.436CS..EExtended strand (participates in β ladder)trans-136.885.2170.1-178.813.7000109.4V115 I128 L133 G134 W135 F136 L139 R143V115-D131 HydrophobicContact CG1-CB 4.49Å; V115-D131 WeakPolarHBondContact CG2-OD1 3.35Å; I128-D131 HydrophobicContact CG2-CB 4.27Å; D131-L133 VanDerWaalsContact C-N 3.32Å; D131-L133 PolarHBondContact OD1-N 2.92Å; D131-G134 PolarHBondContact OD1-N 2.88Å; D131-W135 PolarHBondContact OD1-N 3.37Å; D131-W135 PolarHBondContact OD2-N 3.25Å; D131-F136 HydrophobicContact CB-CD2 4.29Å; D131-F136 WeakPolarHBondContact OD2-CD2 3.49Å; D131-F136 PolarHBondContact OD2-N 3.49Å; D131-L139 HydrophobicContact CB-CD1 4.44Å; D131-R143 CarbonylContact C-O 3.45Å; D131-R143 PolarHBondContact N-O 3.45Å
132N84.7Confident81.1Confident46 Ų4677.3 Ų77.325%0.24642%0.418CS..SBendtrans-86.4-5.9178.1-53.7-65.1000112.7Y111 H112 G114Y111-N132 PolarHBondContact O-ND2 2.87Å; H112-N132 PolarHBondContact O-ND2 2.97Å; G114-N132 PolarHBondContact O-N 2.81Å; G114-N132 PolarHBondContact O-ND2 2.88Å
133L83.8Confident79.7Confident101 Ų10182.5 Ų82.553%0.52943%0.427SS..SBendtrans-103.8-7.9-177.1-60.1-177.5000112.9V115 D131V115-L133 HydrophobicContact CG2-CB 4Å; V115-L133 HydrophobicContact CG2-CD1 4.15Å; V115-L133 HydrophobicContact CG2-CG 4.17Å; D131-L133 VanDerWaalsContact C-N 3.32Å; D131-L133 PolarHBondContact OD1-N 2.92Å
134G79.6Confident78.5Confident53 Ų5381.8 Ų81.855%0.54642%0.421SS..  trans71.235.5176.800000112.8D131 F136D131-G134 PolarHBondContact OD1-N 2.88Å; G134-F136 VanDerWaalsContact C-N 3.26Å
135W77.2Confident77.4Confident183 Ų18375.6 Ų75.669%0.69340%0.395SS*.  trans-72.4-22.2175.1-76.88.6000112.5V115 D131V115-W135 HydrophobicContact CG2-CD2 4.21Å; V115-W135 HydrophobicContact CG2-CE3 4.25Å; V115-W135 HydrophobicContact CG2-CG 4.37Å; D131-W135 PolarHBondContact OD1-N 3.37Å; D131-W135 PolarHBondContact OD2-N 3.25Å
136F73.4Confident76.5Confident71 Ų7173.5 Ų73.531%0.31138%0.383SS..  trans-116.998-178.9-58.4-78000110.9V115 I117 I128 D131 G134 D138 L139V115-F136 HydrophobicContact CG1-CE2 3.94Å; I117-F136 HydrophobicContact CD1-CE2 4.09Å; I117-F136 HydrophobicContact CD1-CZ 3.89Å; I128-F136 HydrophobicContact CD1-CB 4.15Å; I128-F136 HydrophobicContact CD1-CD1 3.7Å; I128-F136 HydrophobicContact CD1-CD2 3.53Å; I128-F136 HydrophobicContact CD1-CE1 3.9Å; I128-F136 HydrophobicContact CD1-CE2 3.73Å; I128-F136 HydrophobicContact CD1-CG 3.5Å; I128-F136 HydrophobicContact CD1-CZ 3.92Å; I128-F136 HydrophobicContact CG1-CD2 4.2Å; I128-F136 HydrophobicContact CG1-CE2 4.02Å; I128-F136 HydrophobicContact CG1-CZ 4.29Å; I128-F136 HydrophobicContact CG2-CD2 4.44Å; D131-F136 HydrophobicContact CB-CD2 4.29Å; D131-F136 WeakPolarHBondContact OD2-CD2 3.49Å; D131-F136 PolarHBondContact OD2-N 3.49Å; G134-F136 VanDerWaalsContact C-N 3.26Å; F136-D138 PolarHBondContact O-N 3.46Å; F136-L139 HydrophobicContact CB-CD1 3.96Å; F136-L139 HydrophobicContact CB-CG 4.3Å
137S66.4Low75.4Confident110 Ų11071.3 Ų71.377%0.76937%0.372SS*.G310 helixtrans-66.4-19.1-179.4-51.70000114.1L139S137-L139 PolarHBondContact O-N 3.1Å
138D67.9Low74.4Confident141 Ų14171.3 Ų71.375%0.75437%0.374SS*.G310 helixtrans-791.5-173.2-52.6-33.9000113.6F136F136-D138 PolarHBondContact O-N 3.46Å
139L61.9Low73.3Confident49 Ų4970.3 Ų70.326%0.25737%0.368SS..G310 helixtrans-95.215-176.1-63.8175.2000113.9I128 D131 F136 S137 G141 K142I128-L139 HydrophobicContact CD1-CD1 4.44Å; I128-L139 HydrophobicContact CG2-CD1 4.28Å; D131-L139 HydrophobicContact CB-CD1 4.44Å; F136-L139 HydrophobicContact CB-CD1 3.96Å; F136-L139 HydrophobicContact CB-CG 4.3Å; S137-L139 PolarHBondContact O-N 3.1Å; L139-G141 PolarHBondContact O-N 3.43Å; L139-G141 VanDerWaalsContact O-N 3.08Å; L139-K142 WeakPolarHBondContact O-CB 3.4Å; L139-K142 PolarHBondContact O-N 3.14Å
140E60.7Low72.5Confident160 Ų16073 Ų7375%0.74839%0.393SS*.THydrogen-bonded Turntrans45.738.4-176-76.992.5-159.500113.6K142E140-K142 PolarHBondContact O-N 3.42Å
141G61Low71.6Confident59 Ų5976 Ų7661%0.60842%0.417SS*.THydrogen-bonded Turntrans718.5178.300000115.7L139 R143L139-G141 PolarHBondContact O-N 3.43Å; L139-G141 VanDerWaalsContact O-N 3.08Å; G141-R143 PolarHBondContact O-N 3Å
142K64.7Low70.8Confident71 Ų7181.3 Ų81.331%0.30944%0.44SS..  trans-77.6116.6173.4-62.3166.1-176.9165.60108.9L139 E140 I148 A151L139-K142 WeakPolarHBondContact O-CB 3.4Å; L139-K142 PolarHBondContact O-N 3.14Å; E140-K142 PolarHBondContact O-N 3.42Å; K142-I148 HydrophobicContact CB-CG1 3.65Å; K142-I148 HydrophobicContact CD-CG1 4.27Å; K142-A151 HydrophobicContact CD-CB 4.38Å
143R65.7Low70.2Confident146 Ų14682.3 Ų82.355%0.55146%0.461SS*.  trans-89.6-30.5-167.5-57.3-172.1-179.1960113.1D131 G141 E147D131-R143 CarbonylContact C-O 3.45Å; D131-R143 PolarHBondContact N-O 3.45Å; G141-R143 PolarHBondContact O-N 3Å; R143-E147 PolarHBondContact N-OE2 2.77Å
144N68.3Low69.7Low13 Ų1382.3 Ų82.37%0.0746%0.459CS..BIsolated β-bridgetrans-137.5153.5-169.5-159.4-62.5000112.1Y111 E146 E147 I148Y111-N144 WeakPolarHBondContact CE1-ND2 3.48Å; Y111-N144 PolarHBondContact OH-OD1 3.09Å; N144-E146 PolarHBondContact O-N 2.89Å; N144-E146 VanDerWaalsContact O-N 3.07Å; N144-E146 PolarHBondContact OD1-N 3.38Å; N144-E147 PolarHBondContact O-N 2.92Å; N144-I148 WeakPolarHBondContact O-CG1 3.41Å; N144-I148 PolarHBondContact O-N 3.45Å
145I71.7Confident69.2Low36 Ų3686 Ų8619%0.18547%0.471CS..Hα-helixtrans-50.5-32.5174.254.4166.9000113Y111 I129 I148 L149Y111-I145 HydrophobicContact CE2-CD1 4.12Å; Y111-I145 HydrophobicContact CE2-CG1 4.06Å; Y111-I145 WeakPolarHBondContact OH-CD1 3.25Å; Y111-I145 WeakPolarHBondContact OH-CG1 3.46Å; I129-I145 HydrophobicContact CG2-CG2 3.98Å; I129-I145 WeakPolarHBondContact O-CG2 3.4Å; I129-I145 PolarHBondContact O-N 3.49Å; I145-I148 PolarHBondContact O-N 2.99Å; I145-L149 VanDerWaalsContact O-CB 3.24Å; I145-L149 WeakPolarHBondContact O-CB 3.16Å; I145-L149 WeakPolarHBondContact O-CG 3.28Å; I145-L149 PolarHBondContact O-N 3.01Å
146E75.4Confident68.9Low54 Ų5479.9 Ų79.925%0.25245%0.453SS..Hα-helixtrans-65.1-44.1177.6-72.5161-155.400111.7Y111 N144 A150 V156 R158Y111-E146 PolarHBondContact OH-OE1 3.31Å; N144-E146 PolarHBondContact O-N 2.89Å; N144-E146 VanDerWaalsContact O-N 3.07Å; N144-E146 PolarHBondContact OD1-N 3.38Å; E146-A150 WeakPolarHBondContact O-CB 3.35Å; E146-A150 PolarHBondContact O-N 2.76Å; E146-V156 HydrophobicContact CG-CB 4.16Å; E146-V156 HydrophobicContact CG-CG1 4.28Å; E146-V156 HydrophobicContact CG-CG2 4.19Å; E146-R158 IonicContact OE1-CZ 2.68Å; E146-R158 IonicContact OE1-NE 3.01Å; E146-R158 PolarHBondContact OE1-NE 3.18Å; E146-R158 IonicContact OE1-NH2 2.78Å; E146-R158 PolarHBondContact OE1-NH2 3.29Å; E146-R158 IonicContact OE2-CZ 2.72Å; E146-R158 IonicContact OE2-NE 3.09Å; E146-R158 IonicContact OE2-NH2 3.77Å; E146-R158 PolarHBondContact OE2-NH2 3.28Å
147E71.1Confident69Low87 Ų8785.1 Ų85.141%0.40748%0.476SS..Hα-helixtrans-70.7-38.3177-61.5178.2178.400111R143 N144 A151R143-E147 PolarHBondContact N-OE2 2.77Å; N144-E147 PolarHBondContact O-N 2.92Å; E147-A151 WeakPolarHBondContact O-CB 3.43Å; E147-A151 PolarHBondContact O-N 3.16Å
148I68.4Low69.2Low39 Ų3986.3 Ų86.320%0.246%0.464CS..Hα-helixtrans-65.4-41.9178.4-63165.9000111.2K142 N144 I145 K152K142-I148 HydrophobicContact CB-CG1 3.65Å; K142-I148 HydrophobicContact CD-CG1 4.27Å; N144-I148 WeakPolarHBondContact O-CG1 3.41Å; N144-I148 PolarHBondContact O-N 3.45Å; I145-I148 PolarHBondContact O-N 2.99Å; I148-K152 WeakPolarHBondContact O-CG 3.26Å; I148-K152 PolarHBondContact O-N 2.76Å
149L67.9Low69.3Low38 Ų3886.4 Ų86.420%0.19946%0.462CS..Hα-helixtrans-78.4-37.5-179.7-68.9173.3000111.5I145 A151 K152 G153 E154 V156I145-L149 VanDerWaalsContact O-CB 3.24Å; I145-L149 WeakPolarHBondContact O-CB 3.16Å; I145-L149 WeakPolarHBondContact O-CG 3.28Å; I145-L149 PolarHBondContact O-N 3.01Å; L149-A151 VanDerWaalsContact C-N 3.3Å; L149-A151 PolarHBondContact O-N 3.34Å; L149-K152 CarbonylContact O-C 3.52Å; L149-K152 WeakPolarHBondContact O-CA 3.21Å; L149-K152 PolarHBondContact O-N 2.83Å; L149-G153 PolarHBondContact O-N 3.08Å; L149-E154 CarbonylContact C-O 3.55Å; L149-E154 VanDerWaalsContact C-O 3.26Å; L149-E154 HydrophobicContact CB-CB 4.1Å; L149-E154 HydrophobicContact CD2-CB 4.06Å; L149-E154 WeakPolarHBondContact CD2-OE2 3.39Å; L149-E154 PolarHBondContact O-N 2.92Å; L149-V156 HydrophobicContact CB-CG2 4.13Å; L149-V156 HydrophobicContact CD1-CG2 3.37Å; L149-V156 HydrophobicContact CG-CG2 4.35Å
150A73.9Confident69.4Low68 Ų6892.3 Ų92.356%0.56249%0.489SS*.Hα-helixtrans-58.2-43.4171.300000111.5E146 K152 G153E146-A150 WeakPolarHBondContact O-CB 3.35Å; E146-A150 PolarHBondContact O-N 2.76Å; A150-K152 PolarHBondContact O-N 2.97Å; A150-G153 PolarHBondContact O-N 2.87Å
151A71.5Confident69Low64 Ų6486.9 Ų86.953%0.52948%0.476SS..THydrogen-bonded Turntrans-64-19.317500000113.7K142 E147 L149K142-A151 HydrophobicContact CD-CB 4.38Å; E147-A151 WeakPolarHBondContact O-CB 3.43Å; E147-A151 PolarHBondContact O-N 3.16Å; L149-A151 VanDerWaalsContact C-N 3.3Å; L149-A151 PolarHBondContact O-N 3.34Å
152K72.1Confident68.6Low118 Ų11889.9 Ų89.951%0.51349%0.487SS..THydrogen-bonded Turntrans-99.5-1.8176.4-68.6177.4-178.11800113.1I148 L149 A150I148-K152 WeakPolarHBondContact O-CG 3.26Å; I148-K152 PolarHBondContact O-N 2.76Å; L149-K152 CarbonylContact O-C 3.52Å; L149-K152 WeakPolarHBondContact O-CA 3.21Å; L149-K152 PolarHBondContact O-N 2.83Å; A150-K152 PolarHBondContact O-N 2.97Å
153G71.7Confident68.3Low67 Ų6794 Ų9469%0.69151%0.513SS*.THydrogen-bonded Turntrans79.412.7-177.400000115.1L149 A150L149-G153 PolarHBondContact O-N 3.08Å; A150-G153 PolarHBondContact O-N 2.87Å
154E72.9Confident67.4Low102 Ų10290.7 Ų90.748%0.47752%0.516SS..PPolyproline II helixtrans-97.9138.5177.9-66.5175.1-140.100110.3L149L149-E154 CarbonylContact C-O 3.55Å; L149-E154 VanDerWaalsContact C-O 3.26Å; L149-E154 HydrophobicContact CB-CB 4.1Å; L149-E154 HydrophobicContact CD2-CB 4.06Å; L149-E154 WeakPolarHBondContact CD2-OE2 3.39Å; L149-E154 PolarHBondContact O-N 2.92Å
155T68.8Low66.6Low131 Ų13198.1 Ų98.180%0.80456%0.555SS**PPolyproline II helixtrans-100.4129.6-177.8-57.50000112.1
156V70.9Confident65.4Low53 Ų53104.3 Ų104.332%0.32158%0.583SS.*PPolyproline II helixtrans-91121.3172.8-177.50000109.8E146 L149E146-V156 HydrophobicContact CG-CB 4.16Å; E146-V156 HydrophobicContact CG-CG1 4.28Å; E146-V156 HydrophobicContact CG-CG2 4.19Å; L149-V156 HydrophobicContact CB-CG2 4.13Å; L149-V156 HydrophobicContact CD1-CG2 3.37Å; L149-V156 HydrophobicContact CG-CG2 4.35Å
157K75.1Confident64.1Low182 Ų182109.1 Ų109.179%0.79161%0.609SS**PPolyproline II helixtrans-91.1116.6170.1-71.7-176.2177.7178.70109.6
158R72Confident62.9Low135 Ų135109.4 Ų109.451%0.50962%0.617SS.*PPolyproline II helixtrans-85.4120.4165.3-69.2-179.1179174.4-1108.2E146E146-R158 IonicContact OE1-CZ 2.68Å; E146-R158 IonicContact OE1-NE 3.01Å; E146-R158 PolarHBondContact OE1-NE 3.18Å; E146-R158 IonicContact OE1-NH2 2.78Å; E146-R158 PolarHBondContact OE1-NH2 3.29Å; E146-R158 IonicContact OE2-CZ 2.72Å; E146-R158 IonicContact OE2-NE 3.09Å; E146-R158 IonicContact OE2-NH2 3.77Å; E146-R158 PolarHBondContact OE2-NH2 3.28Å
159I70.6Confident62.2Low142 Ų142113 Ų11373%0.72864%0.641SS**  trans-101.5103.9174.6-55.8174.4000106.5
160E62Low61.2Low173 Ų173119.6 Ų119.681%0.80867%0.67SS**  trans-91.197.5171-64.7-168.7171.300108.1
161G52.4Low60.2Low46 Ų46125 Ų12547%0.47468%0.684SS.*  trans-133.2124.5175.300000109.7D163G161-D163 PolarHBondContact O-N 2.84Å
162S54.4Low58.9Low122 Ų122131.4 Ų131.485%0.85370%0.7SS**THydrogen-bonded Turntrans-66.4-9.2178.549.50000114
163D56.9Low57.7Low159 Ų159130.1 Ų130.185%0.8571%0.705SS**THydrogen-bonded Turntrans-148.676.9173.4-82.8-55.2000110.7G161G161-D163 PolarHBondContact O-N 2.84Å
164A46.3Very low56.3Low75 Ų75138.3 Ų138.362%0.6272%0.715SS**  trans-96.697.9179.300000112
165L53.5Low54.8Low169 Ų169137.2 Ų137.289%0.88573%0.732SS**  trans-121.395.9151.3-78.6171.8000107.6
166E45.7Very low53.5Low166 Ų166141.5 Ų141.578%0.77674%0.735SS**  trans-114.2104.7164.5-72.6-173.6179.100108.6V168E166-V168 VanDerWaalsContact C-N 3.31Å; E166-V168 HydrophobicContact CB-CG2 4.27Å; E166-V168 PolarHBondContact O-N 2.9Å; E166-V168 VanDerWaalsContact O-N 3.16Å
167I48.1Very low52.2Low155 Ų155143.2 Ų143.280%0.79575%0.749SS**  trans-78.990.1164.5-57.7173.3000105.7V169I167-V169 HydrophobicContact CG2-CG2 4.12Å; I167-V169 PolarHBondContact O-N 3.21Å; I167-V169 VanDerWaalsContact O-N 3.09Å
168V46.7Very low50.8Low93 Ų93143.7 Ų143.756%0.56475%0.754SS**  trans-75.996.1171.1-174.60000108E166 E170E166-V168 VanDerWaalsContact C-N 3.31Å; E166-V168 HydrophobicContact CB-CG2 4.27Å; E166-V168 PolarHBondContact O-N 2.9Å; E166-V168 VanDerWaalsContact O-N 3.16Å; V168-E170 HydrophobicContact CG1-CB 3.99Å; V168-E170 HydrophobicContact CG1-CG 3.48Å; V168-E170 VanDerWaalsContact CG1-CG 3.48Å
169V52.8Low49.1Very low116 Ų116145.3 Ų145.370%0.70377%0.765SS**  trans-90.791.6154.2-179.80000106.2I167 E171I167-V169 HydrophobicContact CG2-CG2 4.12Å; I167-V169 PolarHBondContact O-N 3.21Å; I167-V169 VanDerWaalsContact O-N 3.09Å; V169-E171 HydrophobicContact CG1-CG 4.45Å; V169-E171 PolarHBondContact O-N 3.49Å
170E46.8Very low47.5Very low176 Ų176145 Ų14582%0.82277%0.77SS**  trans-8895.1168.9-92.3174.3-168.700108.8V168V168-E170 HydrophobicContact CG1-CB 3.99Å; V168-E170 HydrophobicContact CG1-CG 3.48Å; V168-E170 VanDerWaalsContact CG1-CG 3.48Å
171E52.8Low46.4Very low180 Ų180142.8 Ų142.884%0.84176%0.764SS**  trans-86.2119.1156.2-77.7-165.8146.300109.3V169V169-E171 HydrophobicContact CG1-CG 4.45Å; V169-E171 PolarHBondContact O-N 3.49Å
172K44.3Very low46Very low199 Ų199150.7 Ų150.787%0.86579%0.785SS**  trans-50.5129.7176.5-178.6179.6-176.5174.50112.1
173S47.2Very low45.5Very low91 Ų91152.8 Ų152.864%0.63678%0.781SS**  166.7148.511057.90000115
174R42.7Very low44.6Very low239 Ų239154.7 Ų154.790%0.90278%0.782SS**  trans85.7105.2160.6-61.8172.3-177.9159.71.3116.2
175G41.4Very low44.6Very low80 Ų80159.6 Ų159.683%0.82579%0.792SS**  trans-70.9165.2179.600000114.1
176Y41Very low43.9Very low221 Ų221158.5 Ų158.587%0.86779%0.787SS**  trans-156.9147.1156.6-170.6-106.8000109.7
177S42.4Very low44.1Very low89 Ų89159.1 Ų159.162%0.62279%0.79SS**  trans-69.9154.5-154.7-62.40000117.6
178Q46.5Very low44.6Very low191 Ų191156.7 Ų156.789%0.89379%0.785SS**  trans-51.7130.8146.9-69.6166.2-30.200110.5
179K37.3Very low45.1Very low170 Ų170161.6 Ų161.674%0.73980%0.801SS**  trans-142.4120.5148.1-78-164.3177.1-172.90109.7
180T35.3Very low44.8Very low136 Ų136162.6 Ų162.683%0.83481%0.808SS**  trans-104.1113.4164.445.30000106.4
181D40.4Very low45Very low126 Ų126164.4 Ų164.467%0.67483%0.831SS**  trans-114.6111.1172.3-63.9-38000108.7
182K42.9Very low44.6Very low212 Ų212163.7 Ų163.792%0.92283%0.831SS**  trans-97.5114156.2-87.2-175.6174.4179.30105.5
183E44.8Very low44.6Very low165 Ų165161.8 Ų161.877%0.77183%0.829SS**  trans-118.7119166.5-76.9175.9168.900109.1
184K36.8Very low44.4Very low199 Ų199165.7 Ų165.787%0.86584%0.84SS**  trans-109.1119.2155.7-87-174.7174.6-173.90105
185E47.8Very low44.5Very low179 Ų179161.4 Ų161.484%0.83684%0.836SS**  trans-120.3119.7160.5-74-174157.600107.9
186N39.1Very low44.7Very low145 Ų145166.5 Ų166.578%0.77584%0.837SS**  trans-96.2134.9155.6-48-66.3000104.3
187E49.2Very low45Very low179 Ų179162.9 Ų162.984%0.83684%0.835SS**  152.7173.588.7-101.5-125.3155.800107.2
188P59.4Low45.2Very low105 Ų105168.1 Ų168.168%0.68285%0.85SS**  -118.6166.8-82.826.9-4000112.8
189E55.5Low45.1Very low196 Ų196166.4 Ų166.492%0.91685%0.847SS**  trans-79.6130.6173.7-73.8179.9150.100112.2
190T47.7Very low45.7Very low136 Ų136166.1 Ų166.183%0.83486%0.855SS**  trans-69.6126.5162.728.90000111.3
191T49.7Very low46.7Very low215 Ų215168.8 Ų168.8100%1.31986%0.857SS**  -164.90126.5-46.70000109.6

Retrieved 191 of 191 residues in 162.5 ms (Link to these results)