A0A087Y1U1_POEFO Loading...

Transcription factor BTF3

AlphaFold DB , UniProt , Accession A0A087Y1U1, Species POEFO (Poecilia formosa, Amazon molly), Gene BTF3, Length 198 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
1M40.7Very low43.9Very low244 Ų244161.5 Ų161.5100%1.20281%0.812SS**  0107.30-98.6166.3157.100105.1
2E45.6Very low43.9Very low162 Ų162166.1 Ų166.176%0.75781%0.812SS**  cis-153.3147.533.2-146.8163.8144.600109.4R4E2-R4 IonicContact OE1-NH1 2.75Å; E2-R4 PolarHBondContact OE1-NH1 3.45Å
3V41.7Very low43.7Very low114 Ų114163.2 Ų163.269%0.69181%0.814SS**  trans-90.3142.6175.9169.60000108.1
4R45.3Very low43.5Very low204 Ų204159.9 Ų159.977%0.7781%0.814SS**  trans167101.5149.8-90.9166.2-157.2117.7-3.6105.6E2E2-R4 IonicContact OE1-NH1 2.75Å; E2-R4 PolarHBondContact OE1-NH1 3.45Å
5Q42.5Very low43.7Very low159 Ų159165.6 Ų165.674%0.74382%0.822SS**  53.1131.969.4-73.9-173.59.800114.8
6D38.5Very low43.7Very low142 Ų142163.4 Ų163.476%0.75982%0.824SS**  trans83.1126168.2-44.3-36.2000114.4
7E54.1Low43.4Very low194 Ų194158.3 Ų158.391%0.90782%0.821SS**  -149.7144.250.8-61.6-175.3134.800114.4
8H45.6Very low43.3Very low177 Ų177156.4 Ų156.482%0.81982%0.824SS**  trans-70118.9165.8-83.3-80.8000111.4
9A43.5Very low43.1Very low106 Ų106153.4 Ų153.488%0.87682%0.824SS**  trans-98.782165.200000110.6
10I45.7Very low42.9Very low137 Ų137149.3 Ų149.370%0.70382%0.819SS**  trans-98.1121.5156.6-63.5172.1000105.3
11I40Very low43Very low138 Ų138147.7 Ų147.771%0.70882%0.816SS**  trans179.5111.1142.9-93.1152.6000112.1
12R43.7Very low42.7Very low216 Ų216147.2 Ų147.282%0.81580%0.801SS**  trans72.6117.8141.1-62.2173.1-151.7-121.92.1121.2
13P40.7Very low42.1Very low128 Ų128145 Ų14583%0.83180%0.803SS**PPolyproline II helixtrans-75.2135.6155.130.5-31.3000111.6
14S41.5Very low42.1Very low117 Ų117145.7 Ų145.782%0.81881%0.81SS**PPolyproline II helixtrans-70.5126.6176.542.30000113.2
15R45.9Very low41.6Very low246 Ų246139 Ų13993%0.92880%0.804SS**PPolyproline II helixtrans-83.2143.5160.8-80.7-176.4-179-169.4-0110.2
16P44.8Very low41.2Very low131 Ų131139 Ų13985%0.85181%0.808SS**  -138.8162.4111.336.3-23.1000110
17G37.6Very low41Very low76 Ų76138.4 Ų138.478%0.78481%0.81SS**  cis-165.5160.45.900000107.6
18S41.5Very low40.1Very low124 Ų124135.4 Ų135.487%0.86780%0.8SS**  trans-75.3131.1-175.849.20000113.4
19A40.1Very low39.5Very low100 Ų100130.2 Ų130.283%0.82679%0.794SS**  trans-150.8107.5151.100000109.2
20G38.3Very low39.3Very low70 Ų70130.9 Ų130.972%0.72279%0.786SS**  trans-73.3171.8155.500000109.8
21P46.3Very low38.6Very low116 Ų116130.1 Ų130.175%0.75379%0.792SS**  -147.6167.257.335.3-14.1000117
22R34Very low38.3Very low234 Ų234126.4 Ų126.488%0.88379%0.788SS**  trans66.1101.4143.8-72.7166.5-174.1-140.11.2119
23S33.8Very low37.8Very low116 Ų116124.5 Ų124.581%0.81179%0.786SS**  trans-55.3148142.143.20000111
24P40.2Very low37.4Very low129 Ų129126.6 Ų126.684%0.83878%0.784SS**  -141.4155.498.536.7-22.6000113.6
25G34.9Very low37.3Very low63 Ų63127.4 Ų127.465%0.64978%0.778SS**  trans101.372.2155.500000115.4V27G25-V27 PolarHBondContact O-N 3.17Å
26L35.5Very low37.1Very low158 Ų158120.8 Ų120.883%0.82776%0.762SS**  trans-6787.8152.5-155.195.3000107L28L26-L28 HydrophobicContact CD2-CD1 3.7Å; L26-L28 HydrophobicContact CD2-CG 4.25Å; L26-L28 PolarHBondContact O-N 3.18Å
27V34Very low37.2Very low131 Ų131122.3 Ų122.379%0.79476%0.759SS**  trans-73.592.3163.3-176.60000105.2G25 G29G25-V27 PolarHBondContact O-N 3.17Å; V27-G29 PolarHBondContact O-N 3.04Å
28L34.8Very low37.9Very low131 Ų131126.8 Ų126.869%0.68676%0.757SS**  trans-54.595.3156.1-94.4121.7000106.2L26 V30L26-L28 HydrophobicContact CD2-CD1 3.7Å; L26-L28 HydrophobicContact CD2-CG 4.25Å; L26-L28 PolarHBondContact O-N 3.18Å; L28-V30 HydrophobicContact CB-CG2 4.46Å; L28-V30 PolarHBondContact O-N 3.43Å
29G33.3Very low38.3Very low68 Ų68128.6 Ų128.670%0.70175%0.752SS**  trans-63.580.3156.700000106.9V27 C31V27-G29 PolarHBondContact O-N 3.04Å; G29-C31 PolarHBondContact O-N 3.23Å
30V38.4Very low39.1Very low119 Ų119128.9 Ų128.972%0.72175%0.754SS**  trans-57.3100.7155.6-178.70000103.2L28 G32L28-V30 HydrophobicContact CB-CG2 4.46Å; L28-V30 PolarHBondContact O-N 3.43Å; V30-G32 PolarHBondContact O-N 3.31Å
31C31.9Very low40.1Very low122 Ų122132.1 Ų132.182%0.82475%0.753SS**  trans-63.884.7164.9-1460000104.2G29 F33G29-C31 PolarHBondContact O-N 3.23Å; C31-F33 PolarHBondContact O-N 2.96Å
32G34.1Very low40.8Very low59 Ų59133 Ų13361%0.60875%0.749SS**  trans-62.989.7174.500000105.8V30 H34V30-G32 PolarHBondContact O-N 3.31Å; G32-H34 PolarHBondContact O-N 2.8Å
33F32.3Very low42.6Very low177 Ų177125.3 Ų125.378%0.77673%0.726SS**  trans-60.791.8162.8-145.3-96000104.6C31 L35C31-F33 PolarHBondContact O-N 2.96Å; F33-L35 HydrophobicContact CD1-CD1 4.18Å; F33-L35 HydrophobicContact CD1-CG 4.26Å; F33-L35 PolarHBondContact O-N 3.47Å
34H32.3Very low44.5Very low171 Ų171127 Ų12779%0.79272%0.721SS**  trans-67.987.4174.4-148.578.3000105.4G32 N36G32-H34 PolarHBondContact O-N 2.8Å; H34-N36 PolarHBondContact O-N 3.5Å
35L39.4Very low45.9Very low134 Ų134127.3 Ų127.370%0.70271%0.711SS**  trans-64.686.7169.6-102.8129.8000106.5F33 M37F33-L35 HydrophobicContact CD1-CD1 4.18Å; F33-L35 HydrophobicContact CD1-CG 4.26Å; F33-L35 PolarHBondContact O-N 3.47Å; L35-M37 PolarHBondContact O-N 3.28Å
36N41.5Very low47.6Very low108 Ų108130.9 Ų130.958%0.57871%0.708SS**  trans-71.981.5165.9-154-29.4000106.3H34 K38H34-N36 PolarHBondContact O-N 3.5Å; N36-K38 PolarHBondContact O-N 3.35Å; N36-K38 WeakPolarHBondContact OD1-CG 3.37Å
37M48.1Very low49.3Very low162 Ų162127.2 Ų127.280%0.79869%0.69SS**  trans-68.676.8162-85.8-163.361.900107.8L35 E39L35-M37 PolarHBondContact O-N 3.28Å; M37-E39 PolarHBondContact O-N 3.05Å
38K51.3Low51Low170 Ų170123.5 Ų123.574%0.73967%0.672SS**  trans-68.7116.3153.6-80.5175.9-178.8179.20105.9N36 A40N36-K38 PolarHBondContact O-N 3.35Å; N36-K38 WeakPolarHBondContact OD1-CG 3.37Å; K38-A40 PolarHBondContact O-N 2.71Å
39E49.3Very low52.7Low163 Ų163123.8 Ų123.876%0.76267%0.668SS**  trans-34.9124.4167.9-68.4172.7139.300110.3M37 I41M37-E39 PolarHBondContact O-N 3.05Å; E39-I41 HydrophobicContact CB-CG1 4.31Å; E39-I41 PolarHBondContact O-N 3.26Å
40A56.8Low54.3Low106 Ų106126 Ų12688%0.87666%0.663SS**  trans-71.569.7170.200000109K38 M42K38-A40 PolarHBondContact O-N 2.71Å; A40-M42 VanDerWaalsContact C-N 3.34Å; A40-M42 PolarHBondContact O-N 3.3Å
41I60.4Low55.5Low137 Ų137126.7 Ų126.770%0.70366%0.659SS**  trans-66.7103.7158.4-58.5175000104.4E39 N43E39-I41 HydrophobicContact CB-CG1 4.31Å; E39-I41 PolarHBondContact O-N 3.26Å; I41-N43 PolarHBondContact O-N 3.45Å
42M61.3Low56.9Low135 Ų135125.3 Ų125.367%0.66566%0.656SS**  trans-51103.2176.3-179-171.5-70.700108.6A40 Q44 L47A40-M42 VanDerWaalsContact C-N 3.34Å; A40-M42 PolarHBondContact O-N 3.3Å; M42-Q44 PolarHBondContact O-N 3.25Å; M42-L47 HydrophobicContact CG-CD2 4.42Å; M42-L47 HydrophobicContact SD-CD2 4Å
43N71.6Confident58.2Low73 Ų73129.7 Ų129.739%0.3966%0.66SS.*  trans-76.197.6178.8-174.9-43.3000107.7I41 E45 K46 L47I41-N43 PolarHBondContact O-N 3.45Å; N43-E45 PolarHBondContact O-N 3.45Å; N43-E45 PolarHBondContact OD1-N 3.15Å; N43-K46 HydrophobicContact CB-CB 4.22Å; N43-K46 HydrophobicContact CB-CD 4.19Å; N43-K46 HydrophobicContact CB-CG 4.27Å; N43-K46 PolarHBondContact O-N 2.73Å; N43-K46 VanDerWaalsContact O-N 3.08Å; N43-K46 PolarHBondContact OD1-N 2.81Å; N43-K46 VanDerWaalsContact OD1-N 3.17Å; N43-L47 PolarHBondContact O-N 2.81Å
44Q72.8Confident59.5Low152 Ų152125.6 Ų125.671%0.7165%0.649SS**Hα-helixtrans-56.6-33.8-175.1-70.3-178.2-9.700112.4M42 L47 A48M42-Q44 PolarHBondContact O-N 3.25Å; Q44-L47 PolarHBondContact O-N 2.86Å; Q44-A48 VanDerWaalsContact O-CB 3.26Å; Q44-A48 WeakPolarHBondContact O-CB 3.39Å; Q44-A48 PolarHBondContact O-N 2.88Å
45E70.5Confident60.9Low134 Ų134128 Ų12863%0.62665%0.651SS**Hα-helixtrans-70.2-38.1178.2-60.3-173.2166.500112.7N43 K49N43-E45 PolarHBondContact O-N 3.45Å; N43-E45 PolarHBondContact OD1-N 3.15Å; E45-K49 WeakPolarHBondContact O-CB 3.41Å; E45-K49 WeakPolarHBondContact O-CD 3.33Å; E45-K49 WeakPolarHBondContact O-CG 3.49Å; E45-K49 PolarHBondContact O-N 2.8Å
46K70.2Confident62.1Low138 Ų138128.7 Ų128.760%0.665%0.654SS**Hα-helixtrans-70.6-37.6175.6-68.6-177.5-177.7-179.50110.7N43 K49 L50N43-K46 HydrophobicContact CB-CB 4.22Å; N43-K46 HydrophobicContact CB-CD 4.19Å; N43-K46 HydrophobicContact CB-CG 4.27Å; N43-K46 PolarHBondContact O-N 2.73Å; N43-K46 VanDerWaalsContact O-N 3.08Å; N43-K46 PolarHBondContact OD1-N 2.81Å; N43-K46 VanDerWaalsContact OD1-N 3.17Å; K46-K49 PolarHBondContact O-N 3.33Å; K46-L50 WeakPolarHBondContact O-CD1 3.27Å; K46-L50 PolarHBondContact O-N 3.18Å
47L71.5Confident63.3Low82 Ų82126.8 Ų126.843%0.42966%0.66SS.*Hα-helixtrans-65-43.6174.7-159.480000111.6M42 N43 Q44 L50 Q51M42-L47 HydrophobicContact CG-CD2 4.42Å; M42-L47 HydrophobicContact SD-CD2 4Å; N43-L47 PolarHBondContact O-N 2.81Å; Q44-L47 PolarHBondContact O-N 2.86Å; L47-L50 PolarHBondContact O-N 2.75Å; L47-Q51 WeakPolarHBondContact O-CG 3.43Å; L47-Q51 PolarHBondContact O-N 3.08Å
48A69.8Low64.6Low52 Ų52121.5 Ų121.543%0.4365%0.647SS.*Hα-helixtrans-63.9-40.2176.500000112.3Q44 Q51 A52Q44-A48 VanDerWaalsContact O-CB 3.26Å; Q44-A48 WeakPolarHBondContact O-CB 3.39Å; Q44-A48 PolarHBondContact O-N 2.88Å; A48-Q51 PolarHBondContact O-N 3.1Å; A48-A52 PolarHBondContact O-N 3.26Å
49K70.3Confident65.1Low138 Ų138124.3 Ų124.360%0.666%0.66SS**Hα-helixtrans-64.5-39173.7-74.1167.9-175.2169.10112E45 K46 Q53E45-K49 WeakPolarHBondContact O-CB 3.41Å; E45-K49 WeakPolarHBondContact O-CD 3.33Å; E45-K49 WeakPolarHBondContact O-CG 3.49Å; E45-K49 PolarHBondContact O-N 2.8Å; K46-K49 PolarHBondContact O-N 3.33Å; K49-Q53 WeakPolarHBondContact O-CB 3.36Å; K49-Q53 PolarHBondContact O-N 2.95Å
50L66.4Low66.1Low115 Ų115120.6 Ų120.660%0.60267%0.665SS**Hα-helixtrans-67.4-40.4173.2-94.196.9000112K46 L47 A52 Q53 V54K46-L50 WeakPolarHBondContact O-CD1 3.27Å; K46-L50 PolarHBondContact O-N 3.18Å; L47-L50 PolarHBondContact O-N 2.75Å; L50-A52 PolarHBondContact O-N 3.04Å; L50-Q53 PolarHBondContact O-N 3.18Å; L50-Q53 VanDerWaalsContact O-N 3.16Å; L50-V54 WeakPolarHBondContact O-CG2 3.18Å; L50-V54 PolarHBondContact O-N 3.13Å; L50-V54 VanDerWaalsContact O-N 3.11Å
51Q63.8Low66.9Low133 Ų133118 Ų11862%0.62164%0.641SS**Hα-helixtrans-61.3-40.8176.2-79.3-177.1-19.600112.6L47 A48 Q53 V54L47-Q51 WeakPolarHBondContact O-CG 3.43Å; L47-Q51 PolarHBondContact O-N 3.08Å; A48-Q51 PolarHBondContact O-N 3.1Å; Q51-Q53 VanDerWaalsContact C-N 3.27Å; Q51-Q53 PolarHBondContact O-N 3.48Å; Q51-V54 PolarHBondContact O-N 3.31Å
52A62Low67.4Low92 Ų92116.2 Ų116.276%0.7665%0.646SS**Hα-helixtrans-69.5-23.7175.900000113.4A48 L50A48-A52 PolarHBondContact O-N 3.26Å; L50-A52 PolarHBondContact O-N 3.04Å
53Q60.8Low67.8Low152 Ų152121 Ų12171%0.7166%0.657SS**Hα-helixtrans-89.8-12.7178.8-158.5175.921.100113.1K49 L50 Q51 R55K49-Q53 WeakPolarHBondContact O-CB 3.36Å; K49-Q53 PolarHBondContact O-N 2.95Å; L50-Q53 PolarHBondContact O-N 3.18Å; L50-Q53 VanDerWaalsContact O-N 3.16Å; Q51-Q53 VanDerWaalsContact C-N 3.27Å; Q51-Q53 PolarHBondContact O-N 3.48Å; Q53-R55 PolarHBondContact O-N 3.3Å
54V59.3Low68.1Low90 Ų90129 Ų12955%0.54568%0.682SS.*SBendtrans-68.6103.9170.5-157.90000107L50 Q51 I56L50-V54 WeakPolarHBondContact O-CG2 3.18Å; L50-V54 PolarHBondContact O-N 3.13Å; L50-V54 VanDerWaalsContact O-N 3.11Å; Q51-V54 PolarHBondContact O-N 3.31Å; V54-I56 HydrophobicContact CB-CG1 4.46Å; V54-I56 HydrophobicContact CG1-CG1 4.36Å; V54-I56 PolarHBondContact O-N 2.78Å
55R61.3Low68.1Low221 Ų221131 Ų13183%0.83469%0.688SS**  trans-63.572.4177.2-67.5171.6173.6148.9-3.7110.5Q53 G57Q53-R55 PolarHBondContact O-N 3.3Å; R55-G57 PolarHBondContact O-N 3.37Å
56I65.9Low68.4Low149 Ų149133.4 Ų133.476%0.76470%0.696SS**  trans-74.2106.5168.2-57.2176.2000105.3V54 G58V54-I56 HydrophobicContact CB-CG1 4.46Å; V54-I56 HydrophobicContact CG1-CG1 4.36Å; V54-I56 PolarHBondContact O-N 2.78Å; I56-G58 PolarHBondContact O-N 3Å
57G66.9Low68.8Low68 Ų68135.4 Ų135.470%0.70171%0.705SS**  trans-50.7110.5-165.200000114.5R55R55-G57 PolarHBondContact O-N 3.37Å
58G74.8Confident69Low51 Ų51135.5 Ų135.553%0.52671%0.709SS.*  trans-95170.8163.400000112.7I56 G60 S61I56-G58 PolarHBondContact O-N 3Å; G58-G60 PolarHBondContact O-N 3.34Å; G58-G60 VanDerWaalsContact O-N 3.09Å; G58-S61 VanDerWaalsContact O-CB 3.31Å; G58-S61 WeakPolarHBondContact O-CB 3.4Å; G58-S61 PolarHBondContact O-N 2.88Å
59K60.8Low69.4Low230 Ų230137.9 Ų137.9100%172%0.718SS**THydrogen-bonded Turntrans-63.1108.2175.8-163.8172.3-175.6179.40109.2
60G71.9Confident69.8Low85 Ų85138.9 Ų138.988%0.87672%0.724SS**THydrogen-bonded Turntrans107.5-5.6-173.500000115.3G58G58-G60 PolarHBondContact O-N 3.34Å; G58-G60 VanDerWaalsContact O-N 3.09Å
61S71.6Confident70.3Confident51 Ų51142.6 Ų142.636%0.35773%0.731SS.*SBendtrans-66.4140.9171.7-173.80000111G58 R63G58-S61 VanDerWaalsContact O-CB 3.31Å; G58-S61 WeakPolarHBondContact O-CB 3.4Å; G58-S61 PolarHBondContact O-N 2.88Å; S61-R63 PolarHBondContact O-N 3.37Å
62A71.6Confident70.9Confident100 Ų100140.2 Ų140.283%0.82673%0.725SS**  trans-61.598.6-178.400000110.8R64A62-R64 PolarHBondContact O-N 2.74Å
63R71.1Confident71.5Confident235 Ų235139.7 Ų139.789%0.88772%0.721SS**  trans-73.4116.8175.3-170.1174.5-176.8-1353.1108.7S61 K65S61-R63 PolarHBondContact O-N 3.37Å; R63-K65 PolarHBondContact O-N 2.99Å; R63-K65 VanDerWaalsContact O-N 3.08Å
64R76.3Confident72.3Confident241 Ų241137.6 Ų137.691%0.90972%0.718SS**  trans-60.9115.8171.5-167.9-179.4-169.3-168.84.2108.1A62 K66A62-R64 PolarHBondContact O-N 2.74Å; R64-K66 PolarHBondContact O-N 3.44Å
65K73.9Confident73.1Confident193 Ų193135.4 Ų135.484%0.83971%0.71SS**  trans-60.1126.7172.9-67.4-170.1179.2-177.30108R63 K67R63-K65 PolarHBondContact O-N 2.99Å; R63-K65 VanDerWaalsContact O-N 3.08Å; K65-K67 PolarHBondContact O-N 3.38Å
66K76.8Confident74.2Confident185 Ų185126.2 Ų126.280%0.80468%0.678SS**  trans-63105.5170.6-178.1-177.9-179.3-177.80106.6R64 V68R64-K66 PolarHBondContact O-N 3.44Å; K66-V68 VanDerWaalsContact C-N 3.33Å; K66-V68 HydrophobicContact CD-CG2 4.04Å; K66-V68 HydrophobicContact CG-CG2 4.03Å; K66-V68 PolarHBondContact O-N 3.21Å
67K78.1Confident75.2Confident180 Ų180122.3 Ų122.378%0.78366%0.658SS**  trans-7197.9167-172.1-178.8-176.7-1780106.4K65 V69K65-K67 PolarHBondContact O-N 3.38Å; K67-V69 HydrophobicContact CD-CG2 3.94Å; K67-V69 HydrophobicContact CG-CG2 3.91Å; K67-V69 PolarHBondContact O-N 2.81Å; K67-V69 VanDerWaalsContact O-N 3.13Å
68V75.9Confident76.2Confident85 Ų85126.7 Ų126.752%0.51566%0.658SS.*  trans-73.9100.9166.6-178.50000105.5K66 H70K66-V68 VanDerWaalsContact C-N 3.33Å; K66-V68 HydrophobicContact CD-CG2 4.04Å; K66-V68 HydrophobicContact CG-CG2 4.03Å; K66-V68 PolarHBondContact O-N 3.21Å; V68-H70 PolarHBondContact O-N 2.82Å
69V78.6Confident77Confident102 Ų102130.8 Ų130.862%0.61866%0.661SS**  trans-78.8107173.3179.70000106.3K67 R71K67-V69 HydrophobicContact CD-CG2 3.94Å; K67-V69 HydrophobicContact CG-CG2 3.91Å; K67-V69 PolarHBondContact O-N 2.81Å; K67-V69 VanDerWaalsContact O-N 3.13Å; V69-R71 PolarHBondContact O-N 3.49Å; V69-R71 VanDerWaalsContact O-N 3.09Å
70H77.8Confident78.3Confident158 Ų158124.8 Ų124.873%0.73164%0.64SS**  trans-70104.4167-67.9-72.4000107.7V68 T72V68-H70 PolarHBondContact O-N 2.82Å; H70-T72 PolarHBondContact O-N 3.3Å
71R76.8Confident79.1Confident194 Ų194123.4 Ų123.473%0.73261%0.61SS**  trans-72.6112.3173.2-173.8170.9-178.7175.7-2.3107.5V69 D76V69-R71 PolarHBondContact O-N 3.49Å; V69-R71 VanDerWaalsContact O-N 3.09Å; R71-D76 WeakPolarHBondContact CD-OD2 3.23Å; R71-D76 WeakPolarHBondContact CG-OD2 3.31Å; R71-D76 IonicContact CZ-OD1 3.35Å; R71-D76 IonicContact CZ-OD2 3.53Å; R71-D76 IonicContact NE-OD1 3.09Å; R71-D76 PolarHBondContact NE-OD1 3.06Å; R71-D76 VanDerWaalsContact NE-OD1 3.09Å; R71-D76 IonicContact NE-OD2 2.71Å; R71-D76 PolarHBondContact NE-OD2 3.02Å; R71-D76 VanDerWaalsContact NH2-CG 3.3Å; R71-D76 IonicContact NH2-OD1 3.57Å; R71-D76 PolarHBondContact NH2-OD1 3.47Å; R71-D76 IonicContact NH2-OD2 2.95Å
72T76.8Confident80.1Confident82 Ų82126.9 Ų126.950%0.50362%0.619SS.*  trans-86.2124.5178.144.90000109.8H70 T74 A75H70-T72 PolarHBondContact O-N 3.3Å; T72-T74 PolarHBondContact O-N 2.75Å; T72-T74 VanDerWaalsContact O-N 3.1Å; T72-A75 PolarHBondContact O-N 3.07Å; T72-A75 VanDerWaalsContact O-N 3.14Å
73A75.1Confident80.9Confident82 Ų82125.1 Ų125.168%0.67860%0.601SS**Hα-helixtrans-56.8-28.3-177.200000113.7A75 D76 D77A73-A75 PolarHBondContact O-N 2.8Å; A73-D76 PolarHBondContact O-N 3.25Å; A73-D77 PolarHBondContact O-N 3.38Å; A73-D77 VanDerWaalsContact O-N 3.13Å
74T76.2Confident81.8Confident107 Ų107115.5 Ų115.566%0.65657%0.567SS**Hα-helixtrans-69.5-29.7-179.952.90000114T72T72-T74 PolarHBondContact O-N 2.75Å; T72-T74 VanDerWaalsContact O-N 3.1Å
75A77.9Confident82.4Confident45 Ų45110.8 Ų110.837%0.37255%0.553SS.*Hα-helixtrans-77.1-30.6176.400000111.7T72 A73 K79T72-A75 PolarHBondContact O-N 3.07Å; T72-A75 VanDerWaalsContact O-N 3.14Å; A73-A75 PolarHBondContact O-N 2.8Å; A75-K79 WeakPolarHBondContact O-CG 3.43Å
76D84.6Confident83.1Confident28 Ų28108.8 Ų108.815%0.1554%0.544CS..Hα-helixtrans-72.4-39.9176.1-68.7-51.1000111.7R71 A73 K78 K79 L80R71-D76 WeakPolarHBondContact CD-OD2 3.23Å; R71-D76 WeakPolarHBondContact CG-OD2 3.31Å; R71-D76 IonicContact CZ-OD1 3.35Å; R71-D76 IonicContact CZ-OD2 3.53Å; R71-D76 IonicContact NE-OD1 3.09Å; R71-D76 PolarHBondContact NE-OD1 3.06Å; R71-D76 VanDerWaalsContact NE-OD1 3.09Å; R71-D76 IonicContact NE-OD2 2.71Å; R71-D76 PolarHBondContact NE-OD2 3.02Å; R71-D76 VanDerWaalsContact NH2-CG 3.3Å; R71-D76 IonicContact NH2-OD1 3.57Å; R71-D76 PolarHBondContact NH2-OD1 3.47Å; R71-D76 IonicContact NH2-OD2 2.95Å; A73-D76 PolarHBondContact O-N 3.25Å; D76-K78 VanDerWaalsContact C-N 3.31Å; D76-K78 PolarHBondContact O-N 2.75Å; D76-K79 WeakPolarHBondContact O-CA 3.31Å; D76-K79 WeakPolarHBondContact O-CB 3.29Å; D76-K79 PolarHBondContact O-N 3.47Å; D76-L80 WeakPolarHBondContact O-CG 3.26Å; D76-L80 PolarHBondContact O-N 3.14Å
77D85.9Confident83.6Confident66 Ų66106.1 Ų106.135%0.35354%0.538SS..Hα-helixtrans-57.4-42.7178.4-171.967.8000112.3A73 K79 L80 Q81A73-D77 PolarHBondContact O-N 3.38Å; A73-D77 VanDerWaalsContact O-N 3.13Å; D77-K79 VanDerWaalsContact C-N 3.3Å; D77-K79 PolarHBondContact O-N 2.82Å; D77-L80 PolarHBondContact O-N 3.31Å; D77-Q81 WeakPolarHBondContact O-CG 3.44Å; D77-Q81 PolarHBondContact O-N 3.15Å; D77-Q81 PolarHBondContact OD2-NE2 2.92Å
78K88.9Confident84.1Confident160 Ų16099.3 Ų99.370%0.69652%0.519SS*.Hα-helixtrans-62.3-36.9175.6-67-175.5-178.6-177.30112.7D76 F82D76-K78 VanDerWaalsContact C-N 3.31Å; D76-K78 PolarHBondContact O-N 2.75Å; K78-F82 PolarHBondContact O-N 3.02Å; K78-F82 VanDerWaalsContact O-N 3.11Å
79K90.4Very high84.8Confident137 Ų13795.9 Ų95.960%0.59650%0.498SS*.Hα-helixtrans-70.3-41.3176.7-68.8174.1-178.2175.60111A75 D76 D77 F82 S83A75-K79 WeakPolarHBondContact O-CG 3.43Å; D76-K79 WeakPolarHBondContact O-CA 3.31Å; D76-K79 WeakPolarHBondContact O-CB 3.29Å; D76-K79 PolarHBondContact O-N 3.47Å; D77-K79 VanDerWaalsContact C-N 3.3Å; D77-K79 PolarHBondContact O-N 2.82Å; K79-F82 PolarHBondContact O-N 3.29Å; K79-S83 PolarHBondContact O-N 2.95Å; K79-S83 PolarHBondContact O-OG 2.92Å
80L88.8Confident85.4Confident105 Ų10596.6 Ų96.655%0.5550%0.499SS..Hα-helixtrans-62.4-47175.7-67.7174.4000110.7D76 D77 F82 S83 L84D76-L80 WeakPolarHBondContact O-CG 3.26Å; D76-L80 PolarHBondContact O-N 3.14Å; D77-L80 PolarHBondContact O-N 3.31Å; L80-F82 VanDerWaalsContact C-N 3.27Å; L80-F82 PolarHBondContact O-N 3.03Å; L80-S83 PolarHBondContact O-N 3.42Å; L80-L84 WeakPolarHBondContact O-CB 3.18Å; L80-L84 VanDerWaalsContact O-CG 3.23Å; L80-L84 WeakPolarHBondContact O-CG 3.4Å; L80-L84 PolarHBondContact O-N 2.89Å
81Q89.1Confident86Confident56 Ų5693.2 Ų93.226%0.26249%0.486SS..Hα-helixtrans-59-37.3175.4-71.5-171.724.500112.7D77 K85D77-Q81 WeakPolarHBondContact O-CG 3.44Å; D77-Q81 PolarHBondContact O-N 3.15Å; D77-Q81 PolarHBondContact OD2-NE2 2.92Å; Q81-K85 WeakPolarHBondContact O-CB 3.23Å; Q81-K85 VanDerWaalsContact O-CG 3.25Å; Q81-K85 WeakPolarHBondContact O-CG 3.45Å; Q81-K85 PolarHBondContact O-N 2.91Å
82F90.8Very high86.6Confident123 Ų12387.6 Ų87.654%0.53947%0.47SS..Hα-helixtrans-69.3-42.2176.2-175.7-112.4000112.4K78 K79 L80 K85 K86K78-F82 PolarHBondContact O-N 3.02Å; K78-F82 VanDerWaalsContact O-N 3.11Å; K79-F82 PolarHBondContact O-N 3.29Å; L80-F82 VanDerWaalsContact C-N 3.27Å; L80-F82 PolarHBondContact O-N 3.03Å; F82-K85 PolarHBondContact O-N 2.94Å; F82-K86 HydrophobicContact CE1-CD 4.29Å; F82-K86 VanDerWaalsContact CZ-CE 3.42Å; F82-K86 PolarHBondContact O-N 2.86Å; F82-K86 VanDerWaalsContact O-N 3.16Å
83S89.4Confident87.3Confident64 Ų6488.9 Ų88.945%0.44848%0.482SS..Hα-helixtrans-62.4-42.8175.1-64.20000112K79 L80 K86 L87K79-S83 PolarHBondContact O-N 2.95Å; K79-S83 PolarHBondContact O-OG 2.92Å; L80-S83 PolarHBondContact O-N 3.42Å; S83-K86 WeakPolarHBondContact O-CB 3.26Å; S83-K86 PolarHBondContact O-N 2.68Å; S83-L87 PolarHBondContact O-N 3.38Å
84L89.7Confident88Confident33 Ų3388.6 Ų88.617%0.17349%0.487CS..Hα-helixtrans-61.7-48.3176.2-74.1170.2000111L80 K86 L87 G88 V89 T125L80-L84 WeakPolarHBondContact O-CB 3.18Å; L80-L84 VanDerWaalsContact O-CG 3.23Å; L80-L84 WeakPolarHBondContact O-CG 3.4Å; L80-L84 PolarHBondContact O-N 2.89Å; L84-K86 PolarHBondContact O-N 2.87Å; L84-L87 WeakPolarHBondContact O-CB 3.22Å; L84-L87 PolarHBondContact O-N 2.85Å; L84-G88 PolarHBondContact O-N 3.43Å; L84-V89 HydrophobicContact CB-CG2 3.53Å; L84-V89 HydrophobicContact CD2-CG2 4.04Å; L84-V89 HydrophobicContact CG-CG2 4.36Å; L84-V89 WeakPolarHBondContact O-CG2 2.99Å; L84-T125 HydrophobicContact CD1-CG2 3.82Å; L84-T125 HydrophobicContact CD2-CG2 4.28Å; L84-T125 WeakPolarHBondContact CD2-OG1 2.99Å
85K89Confident88.8Confident142 Ų14286.3 Ų86.362%0.61747%0.47SS*.Hα-helixtrans-57.1-34.6175.8-75.5174.8-176.9-175.90113.4Q81 F82 L87 G88Q81-K85 WeakPolarHBondContact O-CB 3.23Å; Q81-K85 VanDerWaalsContact O-CG 3.25Å; Q81-K85 WeakPolarHBondContact O-CG 3.45Å; Q81-K85 PolarHBondContact O-N 2.91Å; F82-K85 PolarHBondContact O-N 2.94Å; K85-L87 VanDerWaalsContact C-N 3.31Å; K85-L87 PolarHBondContact O-N 2.78Å; K85-G88 PolarHBondContact O-N 3.44Å
86K89.6Confident89.4Confident151 Ų15191.2 Ų91.266%0.65749%0.485SS*.Hα-helixtrans-66.6-30.5175.2-73.9-177.1178.2-179.80113.6F82 S83 L84 G88F82-K86 HydrophobicContact CE1-CD 4.29Å; F82-K86 VanDerWaalsContact CZ-CE 3.42Å; F82-K86 PolarHBondContact O-N 2.86Å; F82-K86 VanDerWaalsContact O-N 3.16Å; S83-K86 WeakPolarHBondContact O-CB 3.26Å; S83-K86 PolarHBondContact O-N 2.68Å; L84-K86 PolarHBondContact O-N 2.87Å; K86-G88 PolarHBondContact O-N 2.86Å
87L86.4Confident89.7Confident128 Ų12893.5 Ų93.567%0.6750%0.495SS*.THydrogen-bonded Turntrans-79-0.8176-65171000112.5S83 L84 K85 V89S83-L87 PolarHBondContact O-N 3.38Å; L84-L87 WeakPolarHBondContact O-CB 3.22Å; L84-L87 PolarHBondContact O-N 2.85Å; K85-L87 VanDerWaalsContact C-N 3.31Å; K85-L87 PolarHBondContact O-N 2.78Å; L87-V89 VanDerWaalsContact C-N 3.34Å
88G87.6Confident90.1Very high37 Ų3791.8 Ų91.838%0.38149%0.487SS..THydrogen-bonded Turntrans71.52617900000113.7L84 K85 K86L84-G88 PolarHBondContact O-N 3.43Å; K85-G88 PolarHBondContact O-N 3.44Å; K86-G88 PolarHBondContact O-N 2.86Å
89V91.4Very high90.2Very high14 Ų1485.2 Ų85.29%0.08546%0.46CS..PPolyproline II helixtrans-71.5129.7169.4-82.20000110.5L84 L87 Q116L84-V89 HydrophobicContact CB-CG2 3.53Å; L84-V89 HydrophobicContact CD2-CG2 4.04Å; L84-V89 HydrophobicContact CG-CG2 4.36Å; L84-V89 WeakPolarHBondContact O-CG2 2.99Å; L87-V89 VanDerWaalsContact C-N 3.34Å; V89-Q116 HydrophobicContact CB-CB 4.27Å
90N90.8Very high90.3Very high117 Ų11782.3 Ų82.363%0.62645%0.449SS*.EExtended strand (participates in β ladder)trans-98.7143178.2-67.5-38.9000110Q116 A117N90-Q116 CarbonylContact O-C 3.59Å; N90-Q116 VanDerWaalsContact O-CA 3.29Å; N90-Q116 WeakPolarHBondContact O-CA 3.5Å; N90-A117 PolarHBondContact N-O 3.46Å; N90-A117 PolarHBondContact O-N 3.39Å
91N90.3Very high90.4Very high87 Ų8780.9 Ų80.947%0.46544%0.438SS..EExtended strand (participates in β ladder)trans-80.5124.6178.6-149.494.6000109.3K114 Q116N91-K114 WeakPolarHBondContact OD1-CE 3.25Å; N91-Q116 HydrophobicContact CB-CG 4.31Å; N91-Q116 WeakPolarHBondContact OD1-CG 3.42Å; N91-Q116 PolarHBondContact OD1-NE2 3.18Å
92I90.3Very high90.4Very high75 Ų7580.9 Ų80.939%0.38544%0.443SS..EExtended strand (participates in β ladder)trans-97.9121175.5-58.2179.4000107.6I95 V115 A117I92-I95 HydrophobicContact CG2-CD1 3.95Å; I92-I95 HydrophobicContact CG2-CG1 4.03Å; I92-V115 PolarHBondContact N-O 3.44Å; I92-A117 HydrophobicContact CD1-CB 3.59Å; I92-A117 HydrophobicContact CG1-CB 4.31Å
93S90.4Very high90.1Very high110 Ų11081 Ų8177%0.76945%0.449SS*.PPolyproline II helixtrans-95.5154.7175.654.60000111.2
94G90.8Very high89.7Confident76 Ų7684.2 Ų84.278%0.78446%0.457SS*.  trans8519.6176.400000114.5
95I92.5Very high89.3Confident58 Ų5883.2 Ų83.230%0.29745%0.454SS..  trans-82.2117.5169.9-56.7-58.6000108.6I92 E97 V98 P113 V115I92-I95 HydrophobicContact CG2-CD1 3.95Å; I92-I95 HydrophobicContact CG2-CG1 4.03Å; I95-E97 WeakPolarHBondContact CG2-O 3.33Å; I95-V98 HydrophobicContact CG2-CG2 3.78Å; I95-P113 HydrophobicContact CG2-CG 4.27Å; I95-V115 HydrophobicContact CB-CG2 4.21Å; I95-V115 HydrophobicContact CG1-CB 4.26Å; I95-V115 HydrophobicContact CG1-CG2 4.11Å; I95-V115 HydrophobicContact CG2-CG2 4.09Å
96E91.8Very high89.3Confident148 Ų14878.1 Ų78.169%0.69244%0.435SS*.  trans-79-42.1176.8-65.9-177.8178.100111.1N112E96-N112 VanDerWaalsContact O-CA 3.29Å; E96-N112 WeakPolarHBondContact O-CA 3.29Å; E96-N112 PolarHBondContact O-N 3.43Å
97E91Very high89.3Confident76 Ų7671 Ų7136%0.35540%0.404SS..EExtended strand (participates in β ladder)trans-151.6151.3-176.651.9178.9-143.400112.7I95 H109 F110 Q145I95-E97 WeakPolarHBondContact CG2-O 3.33Å; E97-H109 IonicContact OE2-CE1 3.31Å; E97-F110 VanDerWaalsContact CA-O 3.26Å; E97-F110 WeakPolarHBondContact CA-O 3.18Å; E97-Q145 PolarHBondContact OE1-NE2 3.13Å
98V92.4Very high89.7Confident30 Ų3067.2 Ų67.218%0.18238%0.384CS..EExtended strand (participates in β ladder)trans-128.3129.1167.7178.20000108.4I95 F110 P113 V115 I126I95-V98 HydrophobicContact CG2-CG2 3.78Å; V98-F110 HydrophobicContact CB-CB 4.23Å; V98-F110 HydrophobicContact CB-CD2 4.38Å; V98-F110 PolarHBondContact N-O 3.22Å; V98-F110 PolarHBondContact O-N 2.86Å; V98-P113 HydrophobicContact CB-CG 4.14Å; V98-P113 HydrophobicContact CG2-CG 3.64Å; V98-V115 HydrophobicContact CG2-CG2 3.92Å; V98-I126 HydrophobicContact CG1-CD1 3.75Å; V98-I126 HydrophobicContact CG1-CG1 4.49Å
99N92.8Very high90Very high23 Ų2365.8 Ų65.812%0.12337%0.368CS..EExtended strand (participates in β ladder)trans-116.4124.1179.5-66.7-49.1000109.4F101 V107 H109 I142 Q145N99-F101 HydrophobicContact CB-CE2 4.25Å; N99-F101 HydrophobicContact CB-CZ 4.14Å; N99-V107 HydrophobicContact CB-CG1 3.9Å; N99-H109 PolarHBondContact OD1-ND1 3.12Å; N99-I142 HydrophobicContact CB-CD1 4.18Å; N99-I142 WeakPolarHBondContact ND2-CD1 3.46Å; N99-Q145 PolarHBondContact ND2-OE1 3.02Å
100M92.4Very high90.2Very high76 Ų7666.2 Ų66.237%0.37437%0.368SS..EExtended strand (participates in β ladder)trans-106.3111.4170.7-55.3-175.4179.400109V107 I108 F110 I126M100-V107 WeakPolarHBondContact O-CA 3.13Å; M100-I108 HydrophobicContact CB-CB 4.19Å; M100-I108 PolarHBondContact N-O 3.27Å; M100-I108 PolarHBondContact O-N 3.46Å; M100-F110 HydrophobicContact CE-CE2 3.87Å; M100-F110 HydrophobicContact CE-CZ 4.37Å; M100-F110 HydrophobicContact CG-CE2 4.32Å; M100-F110 HydrophobicContact SD-CE2 4.09Å; M100-I126 HydrophobicContact CE-CD1 3.34Å
101F90.3Very high90.3Very high74 Ų7465.2 Ų65.233%0.32536%0.363SS..EExtended strand (participates in β ladder)trans-81.4125.9177.8-60.5-77.3000110.5N99 V107 L135 I142 Q145 L146N99-F101 HydrophobicContact CB-CE2 4.25Å; N99-F101 HydrophobicContact CB-CZ 4.14Å; F101-V107 HydrophobicContact CD1-CG1 4.39Å; F101-V107 HydrophobicContact CD1-CG2 3.66Å; F101-V107 HydrophobicContact CE1-CG1 4.32Å; F101-V107 HydrophobicContact CE1-CG2 3.81Å; F101-L135 HydrophobicContact CD1-CD1 4.38Å; F101-L135 HydrophobicContact CE1-CD1 4.05Å; F101-I142 HydrophobicContact CE1-CD1 3.9Å; F101-I142 HydrophobicContact CE1-CG1 3.58Å; F101-I142 HydrophobicContact CZ-CD1 3.65Å; F101-I142 HydrophobicContact CZ-CG1 3.73Å; F101-Q145 HydrophobicContact CZ-CB 4.27Å; F101-L146 HydrophobicContact CD1-CD2 3.45Å; F101-L146 VanDerWaalsContact CD1-CD2 3.45Å; F101-L146 HydrophobicContact CE1-CD2 3.25Å; F101-L146 HydrophobicContact CE1-CG 3.9Å; F101-L146 HydrophobicContact CE2-CD2 4.35Å; F101-L146 HydrophobicContact CG-CD2 4.11Å; F101-L146 HydrophobicContact CZ-CD2 3.74Å; F101-L146 HydrophobicContact CZ-CG 4.1Å
102T88.4Confident90.4Very high57 Ų5766.3 Ų66.335%0.3537%0.369SS..  trans-100160.2170.669.70000110Q104 T106T102-Q104 PolarHBondContact O-N 2.8Å; T102-T106 PolarHBondContact N-O 2.88Å; T102-T106 PolarHBondContact OG1-O 3.43Å
103N84.6Confident90.7Very high125 Ų12563.2 Ų63.267%0.66835%0.353SS*.THydrogen-bonded Turntrans-72.5-8.3176.661.2-14000113.8G105N103-G105 VanDerWaalsContact C-N 3.27Å; N103-G105 PolarHBondContact O-N 2.73Å
104Q81.6Confident90.8Very high132 Ų13262.5 Ų62.562%0.61734%0.336SS*.THydrogen-bonded Turntrans-87.410.9-178.6-54.3-54.6-53.400113.2T102 T106T102-Q104 PolarHBondContact O-N 2.8Å; Q104-T106 PolarHBondContact O-N 2.83Å
105G81.3Confident90.9Very high11 Ų1159.3 Ų59.311%0.11330%0.302CS..SBendtrans72.316.7-174.500000113.4N103 L135N103-G105 VanDerWaalsContact C-N 3.27Å; N103-G105 PolarHBondContact O-N 2.73Å; G105-L135 WeakPolarHBondContact O-CB 3.45Å; G105-L135 PolarHBondContact O-N 2.87Å
106T88.1Confident90.9Very high36 Ų3657.4 Ų57.422%0.22129%0.292CS..EExtended strand (participates in β ladder)trans-111.8144.5179.2-42.90000110.3T102 Q104 T132 K133T102-T106 PolarHBondContact N-O 2.88Å; T102-T106 PolarHBondContact OG1-O 3.43Å; Q104-T106 PolarHBondContact O-N 2.83Å; T106-T132 HydrophobicContact CG2-CG2 3.19Å; T106-K133 WeakPolarHBondContact CG2-O 3.36Å
107V91.1Very high91Very high0 Ų050.7 Ų50.70%026%0.262CS..EExtended strand (participates in β ladder)trans-117129.1177-174.40000109N99 M100 F101 H109 K133 L135N99-V107 HydrophobicContact CB-CG1 3.9Å; M100-V107 WeakPolarHBondContact O-CA 3.13Å; F101-V107 HydrophobicContact CD1-CG1 4.39Å; F101-V107 HydrophobicContact CD1-CG2 3.66Å; F101-V107 HydrophobicContact CE1-CG1 4.32Å; F101-V107 HydrophobicContact CE1-CG2 3.81Å; V107-H109 PolarHBondContact O-N 2.98Å; V107-K133 PolarHBondContact N-O 3.05Å; V107-K133 PolarHBondContact O-N 3.27Å; V107-L135 HydrophobicContact CG2-CB 4.16Å; V107-L135 HydrophobicContact CG2-CD1 3.53Å; V107-L135 HydrophobicContact CG2-CG 4.34Å
108I93.7Very high91Very high50 Ų5047.7 Ų47.726%0.25625%0.249SC..EExtended strand (participates in β ladder)trans-87.2105.8165.8-51174.6000106.3M100 F110 A130M100-I108 HydrophobicContact CB-CB 4.19Å; M100-I108 PolarHBondContact N-O 3.27Å; M100-I108 PolarHBondContact O-N 3.46Å; I108-F110 HydrophobicContact CB-CE2 4.42Å; I108-F110 HydrophobicContact CG2-CD2 4.35Å; I108-F110 HydrophobicContact CG2-CE2 3.6Å; I108-F110 HydrophobicContact CG2-CZ 3.95Å; I108-A130 HydrophobicContact CG2-CB 3.88Å
109H93.3Very high90.8Very high7 Ų753.1 Ų53.13%0.03228%0.276CS..EExtended strand (participates in β ladder)trans-94.7133.6-179.7178.672.6000110.5E97 N99 V107 E131 M138E97-H109 IonicContact OE2-CE1 3.31Å; N99-H109 PolarHBondContact OD1-ND1 3.12Å; V107-H109 PolarHBondContact O-N 2.98Å; H109-E131 PolarHBondContact N-O 3.17Å; H109-E131 PolarHBondContact O-N 2.94Å; H109-M138 HydrophobicContact CB-SD 4.18Å
110F95.7Very high90.6Very high22 Ų2257 Ų5710%0.09631%0.311CS..EExtended strand (participates in β ladder)trans-117.6120.1170.5-64.7-96000108.8E97 V98 M100 I108 P113 I126 H129 A130E97-F110 VanDerWaalsContact CA-O 3.26Å; E97-F110 WeakPolarHBondContact CA-O 3.18Å; V98-F110 HydrophobicContact CB-CB 4.23Å; V98-F110 HydrophobicContact CB-CD2 4.38Å; V98-F110 PolarHBondContact N-O 3.22Å; V98-F110 PolarHBondContact O-N 2.86Å; M100-F110 HydrophobicContact CE-CE2 3.87Å; M100-F110 HydrophobicContact CE-CZ 4.37Å; M100-F110 HydrophobicContact CG-CE2 4.32Å; M100-F110 HydrophobicContact SD-CE2 4.09Å; I108-F110 HydrophobicContact CB-CE2 4.42Å; I108-F110 HydrophobicContact CG2-CD2 4.35Å; I108-F110 HydrophobicContact CG2-CE2 3.6Å; I108-F110 HydrophobicContact CG2-CZ 3.95Å; F110-P113 HydrophobicContact CB-CB 3.94Å; F110-P113 HydrophobicContact CB-CG 3.82Å; F110-I126 HydrophobicContact CD1-CG2 3.97Å; F110-I126 HydrophobicContact CD2-CG2 4.32Å; F110-I126 HydrophobicContact CE1-CG2 4.13Å; F110-I126 HydrophobicContact CE2-CG2 4.48Å; F110-I126 HydrophobicContact CG-CG2 4.07Å; F110-I126 HydrophobicContact CZ-CG2 4.39Å; F110-H129 VanDerWaalsContact CD1-O 3.26Å; F110-H129 WeakPolarHBondContact CD1-O 3.4Å; F110-A130 HydrophobicContact CD1-CB 4.12Å; F110-A130 HydrophobicContact CE1-CB 3.44Å; F110-A130 VanDerWaalsContact CE1-CB 3.44Å; F110-A130 HydrophobicContact CE2-CB 4.41Å; F110-A130 HydrophobicContact CZ-CB 3.61Å
111N93.8Very high90.5Very high97 Ų9756 Ų5652%0.51932%0.315SS..EExtended strand (participates in β ladder)trans-92.5126.5174.3-169.3-89.7000110P113N111-P113 VanDerWaalsContact C-CD 3.5Å
112N93.2Very high90.5Very high109 Ų10958.6 Ų58.658%0.58333%0.332SS*.SBendtrans42.354.3-176.2-62.3115.4000114.9E96E96-N112 VanDerWaalsContact O-CA 3.29Å; E96-N112 WeakPolarHBondContact O-CA 3.29Å; E96-N112 PolarHBondContact O-N 3.43Å
113P95Very high90.6Very high10 Ų1059 Ų597%0.06534%0.335CS..  trans-74.1156.1-17829.9-33.3000112.9I95 V98 F110 N111 V115 I126I95-P113 HydrophobicContact CG2-CG 4.27Å; V98-P113 HydrophobicContact CB-CG 4.14Å; V98-P113 HydrophobicContact CG2-CG 3.64Å; F110-P113 HydrophobicContact CB-CB 3.94Å; F110-P113 HydrophobicContact CB-CG 3.82Å; N111-P113 VanDerWaalsContact C-CD 3.5Å; P113-V115 HydrophobicContact CB-CG2 4.32Å; P113-V115 HydrophobicContact CG-CG2 4Å; P113-V115 PolarHBondContact O-N 3.18Å; P113-I126 HydrophobicContact CB-CG2 3.92Å; P113-I126 HydrophobicContact CG-CG2 4.43Å
114K93.1Very high91Very high95 Ų9558.8 Ų58.841%0.41333%0.328SS..EExtended strand (participates in β ladder)trans-82.3112.1165.2-173.5179.9178.7-176.20108.9N91 T127N91-K114 WeakPolarHBondContact OD1-CE 3.25Å; K114-T127 PolarHBondContact N-O 3.01Å; K114-T127 PolarHBondContact O-N 3.41Å
115V93.8Very high91.6Very high9 Ų953.9 Ų53.96%0.05531%0.308CS..EExtended strand (participates in β ladder)trans-106.7131.2-179.7-174.40000110.6I92 I95 V98 P113 I126I92-V115 PolarHBondContact N-O 3.44Å; I95-V115 HydrophobicContact CB-CG2 4.21Å; I95-V115 HydrophobicContact CG1-CB 4.26Å; I95-V115 HydrophobicContact CG1-CG2 4.11Å; I95-V115 HydrophobicContact CG2-CG2 4.09Å; V98-V115 HydrophobicContact CG2-CG2 3.92Å; P113-V115 HydrophobicContact CB-CG2 4.32Å; P113-V115 HydrophobicContact CG-CG2 4Å; P113-V115 PolarHBondContact O-N 3.18Å; V115-I126 HydrophobicContact CG1-CG1 4.37Å; V115-I126 HydrophobicContact CG2-CG1 4.29Å
116Q92.1Very high92.2Very high18 Ų1855.5 Ų55.58%0.08431%0.313CS..EExtended strand (participates in β ladder)trans-118.3132168.5-65177.2-12.700107.8V89 N90 N91 F124 T125V89-Q116 HydrophobicContact CB-CB 4.27Å; N90-Q116 CarbonylContact O-C 3.59Å; N90-Q116 VanDerWaalsContact O-CA 3.29Å; N90-Q116 WeakPolarHBondContact O-CA 3.5Å; N91-Q116 HydrophobicContact CB-CG 4.31Å; N91-Q116 WeakPolarHBondContact OD1-CG 3.42Å; N91-Q116 PolarHBondContact OD1-NE2 3.18Å; Q116-F124 CarbonylContact O-C 3.58Å; Q116-T125 PolarHBondContact N-O 3.43Å; Q116-T125 PolarHBondContact O-N 3.01Å
117A93.1Very high92.3Very high8 Ų857.3 Ų57.37%0.06632%0.324CS..EExtended strand (participates in β ladder)trans-138.7146.6-178.100000111.2N90 I92 T123 F124N90-A117 PolarHBondContact N-O 3.46Å; N90-A117 PolarHBondContact O-N 3.39Å; I92-A117 HydrophobicContact CD1-CB 3.59Å; I92-A117 HydrophobicContact CG1-CB 4.31Å; A117-T123 CarbonylContact C-O 3.58Å; A117-T123 WeakPolarHBondContact CA-O 3.45Å; A117-F124 HydrophobicContact CB-CD1 3.46Å; A117-F124 VanDerWaalsContact CB-CD1 3.46Å; A117-F124 HydrophobicContact CB-CE1 3.64Å; A117-F124 HydrophobicContact CB-CG 4.38Å
118S92.4Very high92.3Very high13 Ų1359.4 Ų59.49%0.09135%0.346CS..EExtended strand (participates in β ladder)trans-118.8105.8165.5179.20000106.8A120 A121 N122 T123S118-A120 VanDerWaalsContact C-N 3.25Å; S118-A120 PolarHBondContact O-N 3.47Å; S118-A121 CarbonylContact O-C 3.56Å; S118-A121 PolarHBondContact O-N 2.96Å; S118-A121 PolarHBondContact OG-N 3.26Å; S118-N122 PolarHBondContact O-N 3.17Å; S118-T123 PolarHBondContact N-O 2.85Å; S118-T123 PolarHBondContact O-N 2.8Å; S118-T123 VanDerWaalsContact O-N 3.12Å
119L87.8Confident92.3Very high144 Ų14463.4 Ų63.475%0.75436%0.363SS*.THydrogen-bonded Turntrans-65.8-33.8178.8-161.673.1000110.9A121 N122L119-A121 VanDerWaalsContact C-N 3.28Å; L119-A121 PolarHBondContact O-N 3.22Å; L119-N122 PolarHBondContact O-N 3.34Å; L119-N122 PolarHBondContact O-OD1 3.34Å
120A88.7Confident92.4Very high103 Ų10365.4 Ų65.485%0.85138%0.381SS*.THydrogen-bonded Turntrans-64.7-32.5176.600000112.7S118S118-A120 VanDerWaalsContact C-N 3.25Å; S118-A120 PolarHBondContact O-N 3.47Å
121A88.9Confident92.2Very high56 Ų5667.8 Ų67.846%0.46339%0.393SS..THydrogen-bonded Turntrans-105.16.2-178.300000113.4S118 L119 T123S118-A121 CarbonylContact O-C 3.56Å; S118-A121 PolarHBondContact O-N 2.96Å; S118-A121 PolarHBondContact OG-N 3.26Å; L119-A121 VanDerWaalsContact C-N 3.28Å; L119-A121 PolarHBondContact O-N 3.22Å; A121-T123 PolarHBondContact O-N 3.16Å; A121-T123 PolarHBondContact O-OG1 2.87Å
122N90.8Very high92.2Very high128 Ų12868 Ų6868%0.68440%0.398SS*.THydrogen-bonded Turntrans45.636-174.2-62.5-38.1000113.4S118 L119S118-N122 PolarHBondContact O-N 3.17Å; L119-N122 PolarHBondContact O-N 3.34Å; L119-N122 PolarHBondContact O-OD1 3.34Å
123T91.4Very high92.1Very high66 Ų6665.8 Ų65.841%0.40538%0.383SS..EExtended strand (participates in β ladder)trans-113.4123.9-173.9-62.10000109.5A117 S118 A121A117-T123 CarbonylContact C-O 3.58Å; A117-T123 WeakPolarHBondContact CA-O 3.45Å; S118-T123 PolarHBondContact N-O 2.85Å; S118-T123 PolarHBondContact O-N 2.8Å; S118-T123 VanDerWaalsContact O-N 3.12Å; A121-T123 PolarHBondContact O-N 3.16Å; A121-T123 PolarHBondContact O-OG1 2.87Å
124F93.4Very high91.9Very high120 Ų12070.7 Ų70.753%0.52641%0.405SS..EExtended strand (participates in β ladder)trans-115.4131.4176.9-60.7-90.5000109.3Q116 A117Q116-F124 CarbonylContact O-C 3.58Å; A117-F124 HydrophobicContact CB-CD1 3.46Å; A117-F124 VanDerWaalsContact CB-CD1 3.46Å; A117-F124 HydrophobicContact CB-CE1 3.64Å; A117-F124 HydrophobicContact CB-CG 4.38Å
125T92.9Very high91.5Very high30 Ų3066.6 Ų66.618%0.18439%0.387CS..EExtended strand (participates in β ladder)trans-115.8117.9171.3-54.70000107.6L84 Q116L84-T125 HydrophobicContact CD1-CG2 3.82Å; L84-T125 HydrophobicContact CD2-CG2 4.28Å; L84-T125 WeakPolarHBondContact CD2-OG1 2.99Å; Q116-T125 PolarHBondContact N-O 3.43Å; Q116-T125 PolarHBondContact O-N 3.01Å
126I93.8Very high91Very high44 Ų4470.1 Ų70.123%0.22641%0.409CS..EExtended strand (participates in β ladder)trans-113127.7-178-63.3149.2000106.6V98 M100 F110 P113 V115V98-I126 HydrophobicContact CG1-CD1 3.75Å; V98-I126 HydrophobicContact CG1-CG1 4.49Å; M100-I126 HydrophobicContact CE-CD1 3.34Å; F110-I126 HydrophobicContact CD1-CG2 3.97Å; F110-I126 HydrophobicContact CD2-CG2 4.32Å; F110-I126 HydrophobicContact CE1-CG2 4.13Å; F110-I126 HydrophobicContact CE2-CG2 4.48Å; F110-I126 HydrophobicContact CG-CG2 4.07Å; F110-I126 HydrophobicContact CZ-CG2 4.39Å; P113-I126 HydrophobicContact CB-CG2 3.92Å; P113-I126 HydrophobicContact CG-CG2 4.43Å; V115-I126 HydrophobicContact CG1-CG1 4.37Å; V115-I126 HydrophobicContact CG2-CG1 4.29Å
127T91.4Very high90.8Very high74 Ų7475.5 Ų75.545%0.45443%0.434SS..EExtended strand (participates in β ladder)trans-129.1119.7178.1-51.40000108.5K114K114-T127 PolarHBondContact N-O 3.01Å; K114-T127 PolarHBondContact O-N 3.41Å
128G91.4Very high90.4Very high45 Ų4577 Ų7746%0.46444%0.441SS..SBendtrans173.4178.9-177.300000111.1
129H92.9Very high90Very high133 Ų13380.3 Ų80.362%0.61646%0.457SS*.  trans-71.1130171-171.5-104.4000109.4F110 E131F110-H129 VanDerWaalsContact CD1-O 3.26Å; F110-H129 WeakPolarHBondContact CD1-O 3.4Å; H129-E131 VanDerWaalsContact CE1-CG 3.5Å; H129-E131 WeakPolarHBondContact CE1-CG 3.23Å; H129-E131 IonicContact CE1-OE1 3.53Å; H129-E131 WeakPolarHBondContact ND1-CG 3.35Å; H129-E131 IonicContact ND1-OE1 2.77Å; H129-E131 PolarHBondContact ND1-OE1 3.29Å
130A94.6Very high89.7Confident49 Ų4978.3 Ų78.341%0.40545%0.452SS..EExtended strand (participates in β ladder)trans-105.7122.6179.100000109I108 F110I108-A130 HydrophobicContact CG2-CB 3.88Å; F110-A130 HydrophobicContact CD1-CB 4.12Å; F110-A130 HydrophobicContact CE1-CB 3.44Å; F110-A130 VanDerWaalsContact CE1-CB 3.44Å; F110-A130 HydrophobicContact CE2-CB 4.41Å; F110-A130 HydrophobicContact CZ-CB 3.61Å
131E92.8Very high89.5Confident73 Ų7375.7 Ų75.734%0.34144%0.435SS..EExtended strand (participates in β ladder)trans-112.9118.8175-69.2176.1-168.500109.5H109 H129 K133H109-E131 PolarHBondContact N-O 3.17Å; H109-E131 PolarHBondContact O-N 2.94Å; H129-E131 VanDerWaalsContact CE1-CG 3.5Å; H129-E131 WeakPolarHBondContact CE1-CG 3.23Å; H129-E131 IonicContact CE1-OE1 3.53Å; H129-E131 WeakPolarHBondContact ND1-CG 3.35Å; H129-E131 IonicContact ND1-OE1 2.77Å; H129-E131 PolarHBondContact ND1-OE1 3.29Å; E131-K133 HydrophobicContact CB-CG 4.48Å; E131-K133 PolarHBondContact O-N 2.97Å; E131-K133 WeakPolarHBondContact OE2-CE 3.48Å; E131-K133 IonicContact OE2-NZ 3.55Å; E131-K133 PolarHBondContact OE2-NZ 3.11Å
132T93.4Very high89.3Confident102 Ų10273.2 Ų73.263%0.62641%0.414SS*.EExtended strand (participates in β ladder)trans-84.7109.3175.2-57.40000108.4T106T106-T132 HydrophobicContact CG2-CG2 3.19Å
133K91.1Very high88.9Confident62 Ų6270.8 Ų70.827%0.2740%0.401SS..EExtended strand (participates in β ladder)trans-116.6153.4-178.6-66.9-178.8-1801670111.2T106 V107 E131 M138T106-K133 WeakPolarHBondContact CG2-O 3.36Å; V107-K133 PolarHBondContact N-O 3.05Å; V107-K133 PolarHBondContact O-N 3.27Å; E131-K133 HydrophobicContact CB-CG 4.48Å; E131-K133 PolarHBondContact O-N 2.97Å; E131-K133 WeakPolarHBondContact OE2-CE 3.48Å; E131-K133 IonicContact OE2-NZ 3.55Å; E131-K133 PolarHBondContact OE2-NZ 3.11Å; K133-M138 HydrophobicContact CB-CG 4.43Å; K133-M138 HydrophobicContact CB-SD 4.35Å; K133-M138 HydrophobicContact CD-CG 4.36Å; K133-M138 HydrophobicContact CD-SD 4.09Å
134Q89.8Confident88.7Confident112 Ų11275 Ų7552%0.52342%0.42SS..EExtended strand (participates in β ladder)trans-72.3144.4169.6-73.3-141.351.900110.5T136 E137Q134-T136 PolarHBondContact O-N 3.31Å; Q134-E137 HydrophobicContact CB-CG 4.14Å; Q134-E137 PolarHBondContact O-N 3.13Å; Q134-E137 VanDerWaalsContact O-N 3.15Å
135L85.8Confident88.4Confident9 Ų973.5 Ų73.55%0.04742%0.415CS..G310 helixtrans-64.6-27.7-178.5-174.351.7000112.5F101 G105 V107 E137 M138 I142 L146 L154F101-L135 HydrophobicContact CD1-CD1 4.38Å; F101-L135 HydrophobicContact CE1-CD1 4.05Å; G105-L135 WeakPolarHBondContact O-CB 3.45Å; G105-L135 PolarHBondContact O-N 2.87Å; V107-L135 HydrophobicContact CG2-CB 4.16Å; V107-L135 HydrophobicContact CG2-CD1 3.53Å; V107-L135 HydrophobicContact CG2-CG 4.34Å; L135-E137 VanDerWaalsContact C-N 3.34Å; L135-M138 PolarHBondContact O-N 3.01Å; L135-I142 HydrophobicContact CD1-CB 4.49Å; L135-I142 HydrophobicContact CD1-CG1 3.98Å; L135-I142 HydrophobicContact CD1-CG2 3.72Å; L135-L146 HydrophobicContact CD1-CD1 4.09Å; L135-L146 HydrophobicContact CD1-CD2 4.32Å; L135-L146 HydrophobicContact CD2-CD1 4.4Å; L135-L146 HydrophobicContact CD2-CD2 4.25Å; L135-L154 HydrophobicContact CB-CD2 4.21Å; L135-L154 HydrophobicContact CD2-CD1 3.28Å; L135-L154 HydrophobicContact CD2-CD2 3.48Å; L135-L154 VanDerWaalsContact CD2-CD2 3.48Å; L135-L154 HydrophobicContact CD2-CG 3.31Å; L135-L154 HydrophobicContact CG-CD1 3.82Å; L135-L154 HydrophobicContact CG-CD2 3.84Å; L135-L154 HydrophobicContact CG-CG 4.1Å
136T83.9Confident88Confident84 Ų8472.8 Ų72.852%0.51541%0.41SS..G310 helixtrans-65.8-32.5175.549.90000113.2Q134 M138Q134-T136 PolarHBondContact O-N 3.31Å; T136-M138 VanDerWaalsContact C-N 3.29Å; T136-M138 PolarHBondContact O-N 3.34Å
137E87.1Confident87.4Confident131 Ų13172.6 Ų72.661%0.61242%0.42SS*.G310 helixtrans-75.2-19-178.6-64.5169.5-175.200112.8Q134 L135Q134-E137 HydrophobicContact CB-CG 4.14Å; Q134-E137 PolarHBondContact O-N 3.13Å; Q134-E137 VanDerWaalsContact O-N 3.15Å; L135-E137 VanDerWaalsContact C-N 3.34Å
138M84.7Confident86.9Confident40 Ų4072.6 Ų72.620%0.19743%0.427CS..G310 helixtrans-102.37.5-179.9-62-158.670.200113.5H109 K133 L135 T136 G141 I142H109-M138 HydrophobicContact CB-SD 4.18Å; K133-M138 HydrophobicContact CB-CG 4.43Å; K133-M138 HydrophobicContact CB-SD 4.35Å; K133-M138 HydrophobicContact CD-CG 4.36Å; K133-M138 HydrophobicContact CD-SD 4.09Å; L135-M138 PolarHBondContact O-N 3.01Å; T136-M138 VanDerWaalsContact C-N 3.29Å; T136-M138 PolarHBondContact O-N 3.34Å; M138-G141 PolarHBondContact O-N 3.1Å; M138-I142 HydrophobicContact CB-CB 4.15Å; M138-I142 HydrophobicContact CB-CG2 4.23Å; M138-I142 WeakPolarHBondContact O-CB 3.49Å; M138-I142 WeakPolarHBondContact O-CG2 3.49Å; M138-I142 PolarHBondContact O-N 2.71Å
139L83.2Confident86.3Confident82 Ų8276.9 Ų76.943%0.42944%0.439SS..THydrogen-bonded Turntrans-74.1142.6171.1-64.8174.6000110I142 L143L139-I142 HydrophobicContact CD2-CG2 3.89Å; L139-L143 HydrophobicContact CD2-CD1 4.39Å; L139-L143 HydrophobicContact CD2-CD2 3.95Å; L139-L143 HydrophobicContact CD2-CG 3.89Å
140P82.4Confident85.7Confident102 Ų10272 Ų7266%0.66242%0.42SS*.THydrogen-bonded Turncis-95-8.45.334.7-34.1000115.1I142 L143P140-I142 VanDerWaalsContact C-N 3.28Å; P140-I142 PolarHBondContact O-N 3.47Å; P140-L143 HydrophobicContact CB-CD1 4.35Å; P140-L143 WeakPolarHBondContact O-CB 3.41Å; P140-L143 PolarHBondContact O-N 3.14Å
141G83.8Confident84.9Confident47 Ų4772.4 Ų72.449%0.48542%0.415SS..G310 helixtrans-61.4-33.2-170.600000114.3M138 L143M138-G141 PolarHBondContact O-N 3.1Å; G141-L143 VanDerWaalsContact C-N 3.25Å; G141-L143 PolarHBondContact O-N 2.77Å
142I85.3Confident84.4Confident4 Ų472.2 Ų72.22%0.02142%0.419CS..G310 helixtrans-71.7-16-178.2-157.965.1000113.7N99 F101 L135 M138 L139 P140 N144 Q145 L146N99-I142 HydrophobicContact CB-CD1 4.18Å; N99-I142 WeakPolarHBondContact ND2-CD1 3.46Å; F101-I142 HydrophobicContact CE1-CD1 3.9Å; F101-I142 HydrophobicContact CE1-CG1 3.58Å; F101-I142 HydrophobicContact CZ-CD1 3.65Å; F101-I142 HydrophobicContact CZ-CG1 3.73Å; L135-I142 HydrophobicContact CD1-CB 4.49Å; L135-I142 HydrophobicContact CD1-CG1 3.98Å; L135-I142 HydrophobicContact CD1-CG2 3.72Å; M138-I142 HydrophobicContact CB-CB 4.15Å; M138-I142 HydrophobicContact CB-CG2 4.23Å; M138-I142 WeakPolarHBondContact O-CB 3.49Å; M138-I142 WeakPolarHBondContact O-CG2 3.49Å; M138-I142 PolarHBondContact O-N 2.71Å; L139-I142 HydrophobicContact CD2-CG2 3.89Å; P140-I142 VanDerWaalsContact C-N 3.28Å; P140-I142 PolarHBondContact O-N 3.47Å; I142-N144 PolarHBondContact O-N 3.09Å; I142-Q145 HydrophobicContact CD1-CB 4.43Å; I142-Q145 PolarHBondContact O-N 3.29Å; I142-L146 HydrophobicContact CG1-CG 4.49Å; I142-L146 HydrophobicContact CG2-CD1 4.15Å; I142-L146 WeakPolarHBondContact O-CG 3.39Å; I142-L146 PolarHBondContact O-N 2.98Å; I142-L146 VanDerWaalsContact O-N 3.08Å
143L82.6Confident83.6Confident77 Ų7769.7 Ų69.740%0.40341%0.406SS..G310 helixtrans-61.7-31.3-179.5-72.2171.5000112.9L139 P140 G141 Q145 L146 L151L139-L143 HydrophobicContact CD2-CD1 4.39Å; L139-L143 HydrophobicContact CD2-CD2 3.95Å; L139-L143 HydrophobicContact CD2-CG 3.89Å; P140-L143 HydrophobicContact CB-CD1 4.35Å; P140-L143 WeakPolarHBondContact O-CB 3.41Å; P140-L143 PolarHBondContact O-N 3.14Å; G141-L143 VanDerWaalsContact C-N 3.25Å; G141-L143 PolarHBondContact O-N 2.77Å; L143-Q145 PolarHBondContact O-N 3.09Å; L143-L146 HydrophobicContact CD2-CD1 4.2Å; L143-L146 PolarHBondContact O-N 3.3Å; L143-L151 HydrophobicContact CD2-CD2 3.69Å
144N87.3Confident82.9Confident154 Ų15468.3 Ų68.382%0.82440%0.401SS*.G310 helixtrans-72.8-16.9179-65.2-27.5000112.9I142I142-N144 PolarHBondContact O-N 3.09Å
145Q87.1Confident82.5Confident89 Ų8971 Ų7142%0.41641%0.407SS..THydrogen-bonded Turntrans-102.9-20.9-179.7-57.7178.32500112E97 N99 F101 I142 L143E97-Q145 PolarHBondContact OE1-NE2 3.13Å; N99-Q145 PolarHBondContact ND2-OE1 3.02Å; F101-Q145 HydrophobicContact CZ-CB 4.27Å; I142-Q145 HydrophobicContact CD1-CB 4.43Å; I142-Q145 PolarHBondContact O-N 3.29Å; L143-Q145 PolarHBondContact O-N 3.09Å
146L83.6Confident82.3Confident15 Ų1579.2 Ų79.28%0.07944%0.437CS..  trans-73.9131.2174.5-73.5170.4000110.6F101 L135 I142 L143 S150 L151 L154F101-L146 HydrophobicContact CD1-CD2 3.45Å; F101-L146 VanDerWaalsContact CD1-CD2 3.45Å; F101-L146 HydrophobicContact CE1-CD2 3.25Å; F101-L146 HydrophobicContact CE1-CG 3.9Å; F101-L146 HydrophobicContact CE2-CD2 4.35Å; F101-L146 HydrophobicContact CG-CD2 4.11Å; F101-L146 HydrophobicContact CZ-CD2 3.74Å; F101-L146 HydrophobicContact CZ-CG 4.1Å; L135-L146 HydrophobicContact CD1-CD1 4.09Å; L135-L146 HydrophobicContact CD1-CD2 4.32Å; L135-L146 HydrophobicContact CD2-CD1 4.4Å; L135-L146 HydrophobicContact CD2-CD2 4.25Å; I142-L146 HydrophobicContact CG1-CG 4.49Å; I142-L146 HydrophobicContact CG2-CD1 4.15Å; I142-L146 WeakPolarHBondContact O-CG 3.39Å; I142-L146 PolarHBondContact O-N 2.98Å; I142-L146 VanDerWaalsContact O-N 3.08Å; L143-L146 HydrophobicContact CD2-CD1 4.2Å; L143-L146 PolarHBondContact O-N 3.3Å; L146-S150 VanDerWaalsContact CD2-OG 3.27Å; L146-S150 WeakPolarHBondContact CD2-OG 3.19Å; L146-L151 HydrophobicContact CB-CD2 4.3Å; L146-L151 HydrophobicContact CB-CG 4.34Å; L146-L151 HydrophobicContact CD1-CD2 3.9Å; L146-L154 HydrophobicContact CD1-CD1 3.76Å
147G82.6Confident82Confident41 Ų4178.7 Ų78.742%0.42343%0.431SS..  trans-79.8166.9167.300000112.3D149 S150 L151G147-D149 PolarHBondContact O-N 3.32Å; G147-S150 PolarHBondContact N-OG 3.22Å; G147-S150 PolarHBondContact O-N 3.25Å; G147-S150 VanDerWaalsContact O-N 3.13Å; G147-S150 PolarHBondContact O-OG 2.95Å; G147-L151 PolarHBondContact O-N 3.08Å
148A79.4Confident81.4Confident74 Ų7475.6 Ų75.661%0.61243%0.427SS*.Hα-helixtrans-54.2-36.5176.600000112.7L151 T152A148-L151 PolarHBondContact O-N 3.09Å; A148-T152 PolarHBondContact O-N 2.71Å; A148-T152 VanDerWaalsContact O-N 3.1Å
149D80.3Confident81.1Confident134 Ų13479.8 Ų79.872%0.71745%0.446SS*.Hα-helixtrans-67.6-38.8-179.4-58.5-28.3000112.4G147 T152 S153G147-D149 PolarHBondContact O-N 3.32Å; D149-T152 PolarHBondContact O-N 3.07Å; D149-T152 PolarHBondContact O-OG1 2.79Å; D149-S153 PolarHBondContact O-N 2.87Å; D149-S153 PolarHBondContact O-OG 2.77Å
150S79.1Confident80.4Confident31 Ų3179.7 Ų79.722%0.21746%0.457CS..Hα-helixtrans-71.9-30175.648.40000112.8L146 G147 S153 L154L146-S150 VanDerWaalsContact CD2-OG 3.27Å; L146-S150 WeakPolarHBondContact CD2-OG 3.19Å; G147-S150 PolarHBondContact N-OG 3.22Å; G147-S150 PolarHBondContact O-N 3.25Å; G147-S150 VanDerWaalsContact O-N 3.13Å; G147-S150 PolarHBondContact O-OG 2.95Å; S150-S153 PolarHBondContact O-N 2.7Å; S150-L154 PolarHBondContact O-N 2.85Å
151L78.1Confident79.6Confident57 Ų5780.8 Ų80.830%0.29846%0.457SS..Hα-helixtrans-69.7-36.5174.6-69.6173.8000112.4L143 L146 G147 A148 S153 L154 R155L143-L151 HydrophobicContact CD2-CD2 3.69Å; L146-L151 HydrophobicContact CB-CD2 4.3Å; L146-L151 HydrophobicContact CB-CG 4.34Å; L146-L151 HydrophobicContact CD1-CD2 3.9Å; G147-L151 PolarHBondContact O-N 3.08Å; A148-L151 PolarHBondContact O-N 3.09Å; L151-S153 VanDerWaalsContact C-N 3.31Å; L151-L154 HydrophobicContact CD2-CD1 4.09Å; L151-L154 WeakPolarHBondContact O-CB 3.31Å; L151-L154 PolarHBondContact O-N 2.96Å; L151-R155 WeakPolarHBondContact O-CG 3.49Å; L151-R155 PolarHBondContact O-N 2.96Å
152T81.5Confident78.4Confident69 Ų6984.1 Ų84.142%0.42347%0.47SS..Hα-helixtrans-65.4-37173.758.40000111.8A148 D149 R155 R156A148-T152 PolarHBondContact O-N 2.71Å; A148-T152 VanDerWaalsContact O-N 3.1Å; D149-T152 PolarHBondContact O-N 3.07Å; D149-T152 PolarHBondContact O-OG1 2.79Å; T152-R155 PolarHBondContact O-N 2.82Å; T152-R156 WeakPolarHBondContact O-CG 3.1Å; T152-R156 PolarHBondContact O-N 2.99Å
153S77.2Confident76.9Confident50 Ų5091.6 Ų91.635%0.3550%0.502SS..Hα-helixtrans-65.1-42.3174.6-57.20000111.7D149 S150 L151 R156 L157D149-S153 PolarHBondContact O-N 2.87Å; D149-S153 PolarHBondContact O-OG 2.77Å; S150-S153 PolarHBondContact O-N 2.7Å; L151-S153 VanDerWaalsContact C-N 3.31Å; S153-R156 PolarHBondContact O-N 2.85Å; S153-L157 WeakPolarHBondContact O-CG 3.1Å; S153-L157 PolarHBondContact O-N 2.8Å
154L76.6Confident75.1Confident33 Ų3397.3 Ų97.317%0.17353%0.527CS..Hα-helixtrans-59.4-46.8171.1-97.7169000112.9L135 L146 S150 L151 R156 L157 A158L135-L154 HydrophobicContact CB-CD2 4.21Å; L135-L154 HydrophobicContact CD2-CD1 3.28Å; L135-L154 HydrophobicContact CD2-CD2 3.48Å; L135-L154 VanDerWaalsContact CD2-CD2 3.48Å; L135-L154 HydrophobicContact CD2-CG 3.31Å; L135-L154 HydrophobicContact CG-CD1 3.82Å; L135-L154 HydrophobicContact CG-CD2 3.84Å; L135-L154 HydrophobicContact CG-CG 4.1Å; L146-L154 HydrophobicContact CD1-CD1 3.76Å; S150-L154 PolarHBondContact O-N 2.85Å; L151-L154 HydrophobicContact CD2-CD1 4.09Å; L151-L154 WeakPolarHBondContact O-CB 3.31Å; L151-L154 PolarHBondContact O-N 2.96Å; L154-R156 VanDerWaalsContact C-N 3.31Å; L154-R156 PolarHBondContact O-N 3.41Å; L154-L157 PolarHBondContact O-N 3.16Å; L154-A158 VanDerWaalsContact O-CB 3.31Å; L154-A158 WeakPolarHBondContact O-CB 3.21Å; L154-A158 PolarHBondContact O-N 3.11Å
155R81.2Confident72.9Confident169 Ų16993.7 Ų93.764%0.63852%0.518SS*.Hα-helixtrans-59.7-43.3177.9-76.6-179.9-176.9173.11.6111.2L151 T152 L157 A158 E159L151-R155 WeakPolarHBondContact O-CG 3.49Å; L151-R155 PolarHBondContact O-N 2.96Å; T152-R155 PolarHBondContact O-N 2.82Å; R155-L157 PolarHBondContact O-N 3.49Å; R155-A158 PolarHBondContact O-N 3.31Å; R155-E159 VanDerWaalsContact O-CB 3.31Å; R155-E159 WeakPolarHBondContact O-CB 3.45Å; R155-E159 VanDerWaalsContact O-CG 3.23Å; R155-E159 WeakPolarHBondContact O-CG 3.45Å; R155-E159 PolarHBondContact O-N 2.8Å
156R82.3Confident71Confident181 Ų18193.1 Ų93.168%0.68354%0.536SS*.Hα-helixtrans-61.7-41.7175.3-74.8178.5176.41720.4112.7T152 S153 L154 E159 A160T152-R156 WeakPolarHBondContact O-CG 3.1Å; T152-R156 PolarHBondContact O-N 2.99Å; S153-R156 PolarHBondContact O-N 2.85Å; L154-R156 VanDerWaalsContact C-N 3.31Å; L154-R156 PolarHBondContact O-N 3.41Å; R156-E159 PolarHBondContact O-N 2.89Å; R156-A160 VanDerWaalsContact O-CB 3.23Å; R156-A160 WeakPolarHBondContact O-CB 3.4Å; R156-A160 PolarHBondContact O-N 3.39Å
157L75.9Confident68.8Low73 Ų7399.5 Ų99.538%0.38257%0.571SS.*Hα-helixtrans-69.2-38.8176.8-70.8170.5000111.9S153 L154 R155 E159 A160 L161S153-L157 WeakPolarHBondContact O-CG 3.1Å; S153-L157 PolarHBondContact O-N 2.8Å; L154-L157 PolarHBondContact O-N 3.16Å; R155-L157 PolarHBondContact O-N 3.49Å; L157-E159 VanDerWaalsContact C-N 3.35Å; L157-A160 PolarHBondContact O-N 2.78Å; L157-L161 PolarHBondContact O-N 2.86Å
158A75.7Confident67Low65 Ų65101.3 Ų101.354%0.53759%0.589SS.*Hα-helixtrans-69.5-30.5175.900000112.9L154 R155L154-A158 VanDerWaalsContact O-CB 3.31Å; L154-A158 WeakPolarHBondContact O-CB 3.21Å; L154-A158 PolarHBondContact O-N 3.11Å; R155-A158 PolarHBondContact O-N 3.31Å
159E78.9Confident65Low129 Ų129107 Ų10760%0.60360%0.6SS**Hα-helixtrans-78.8-29.2173.5-75.2169.3-17900112.8R155 R156 L157 L161R155-E159 VanDerWaalsContact O-CB 3.31Å; R155-E159 WeakPolarHBondContact O-CB 3.45Å; R155-E159 VanDerWaalsContact O-CG 3.23Å; R155-E159 WeakPolarHBondContact O-CG 3.45Å; R155-E159 PolarHBondContact O-N 2.8Å; R156-E159 PolarHBondContact O-N 2.89Å; L157-E159 VanDerWaalsContact C-N 3.35Å; E159-L161 CarbonylContact C-O 3.49Å
160A68.1Low62.9Low79 Ų79105 Ų10565%0.65360%0.601SS**Hα-helixtrans-80.2-24.7177.100000113R156 L157R156-A160 VanDerWaalsContact O-CB 3.23Å; R156-A160 WeakPolarHBondContact O-CB 3.4Å; R156-A160 PolarHBondContact O-N 3.39Å; L157-A160 PolarHBondContact O-N 2.78Å
161L64.7Low60.9Low125 Ų125109.2 Ų109.265%0.65463%0.629SS**SBendtrans-62.2124.3159.3-123.974.3000106.4L157 E159 K163L157-L161 PolarHBondContact O-N 2.86Å; E159-L161 CarbonylContact C-O 3.49Å; L161-K163 PolarHBondContact O-N 3Å
162P58.3Low59.2Low118 Ų118114.5 Ų114.577%0.76666%0.655SS**  trans-54.2114.3173.918.2-25.4000106.2Q164P162-Q164 PolarHBondContact O-N 3.42Å
163K55Low57.2Low160 Ų160116 Ų11670%0.69667%0.674SS**  trans-50.8105.8159.1-69.1178.4178.4175.60103.2L161 A165L161-K163 PolarHBondContact O-N 3Å; K163-A165 PolarHBondContact O-N 2.98Å
164Q43.6Very low55.3Low197 Ų197117.8 Ų117.892%0.92169%0.693SS**  trans-56.391.9144.7-107.6179.2-40.800103P162 G166P162-Q164 PolarHBondContact O-N 3.42Å; Q164-G166 PolarHBondContact O-N 3.24Å
165A41.4Very low53.4Low78 Ų78121.9 Ų121.965%0.64572%0.718SS**  trans-67.580.5172.600000104.9K163 D167K163-A165 PolarHBondContact O-N 2.98Å; A165-D167 PolarHBondContact O-N 3.46Å
166G46.8Very low51.2Low77 Ų77121.9 Ų121.979%0.79473%0.726SS**  trans-69.567.4151.800000108.1Q164 G168Q164-G166 PolarHBondContact O-N 3.24Å; G166-G168 PolarHBondContact O-N 3.25Å
167D37.9Very low49.4Very low150 Ų150121.6 Ų121.680%0.80273%0.732SS**  trans-88.867.1160.7-108.5-78000107.3A165 K169A165-D167 PolarHBondContact O-N 3.46Å; D167-K169 VanDerWaalsContact C-N 3.3Å; D167-K169 PolarHBondContact O-N 3Å
168G45.6Very low47.7Very low78 Ų78125.9 Ų125.980%0.80475%0.75SS**  trans-76.884.4159.800000108.9G166G166-G168 PolarHBondContact O-N 3.25Å
169K37.4Very low46.7Very low195 Ų195131 Ų13185%0.84877%0.768SS**  trans-161.886.1151.3-148.2164.2177.41750113.3D167D167-K169 VanDerWaalsContact C-N 3.3Å; D167-K169 PolarHBondContact O-N 3Å
170A35Very low45.7Very low90 Ų90130.8 Ų130.874%0.74477%0.771SS**SBendtrans-118160.5145.200000107.9
171P38.4Very low45.4Very low121 Ų121134.7 Ų134.779%0.78678%0.781SS**  trans-72152.6-140.531.3-35.5000114.3A173P171-A173 PolarHBondContact O-N 2.99Å
172I42.4Very low45.3Very low168 Ų168134.9 Ų134.986%0.86279%0.787SS**  trans-46.1129.316940.3169.6000113.5
173A38Very low45.7Very low99 Ų99134.7 Ų134.782%0.81879%0.786SS**  trans72.996.3146.200000118.9P171P171-A173 PolarHBondContact O-N 2.99Å
174A37.9Very low46.4Very low89 Ų89134 Ų13474%0.73679%0.79SS**  -169.7113.6117.500000111.2
175V36.3Very low47.2Very low118 Ų118132.3 Ų132.372%0.71579%0.787SS**  trans73.7119139-172.60000118.5
176E35.2Very low48.1Very low169 Ų169134 Ų13479%0.7979%0.789SS**  trans88.8125146.7-79.3164-161.800122
177E43.9Very low48.6Very low175 Ų175137.9 Ų137.982%0.81879%0.786SS**  trans74.9146.2146.4-64.4-169160.900121.5
178E41.6Very low49.6Very low164 Ų164136.6 Ų136.677%0.76678%0.779SS**  trans87.482168.4-62.7-177.1171.900118.3D180E178-D180 HydrophobicContact CB-CB 4Å; E178-D180 PolarHBondContact O-N 2.85Å
179D54Low50.2Low171 Ų171141.9 Ų141.991%0.91478%0.781SS**  trans-73.252161-152.43000110.6
180D58.1Low51.3Low125 Ų125137.9 Ų137.967%0.66877%0.768SS**  trans-124.545.6-157.1-133.7-2.7000114.2E178E178-D180 HydrophobicContact CB-CB 4Å; E178-D180 PolarHBondContact O-N 2.85Å
181D61.9Low52.4Low161 Ų161140.2 Ų140.286%0.86176%0.764SS**  trans-149.931.9171.6-104.7-38.9000114.1
182V62.6Low53.3Low129 Ų129138.4 Ų138.478%0.78276%0.759SS**  trans-104.9105.4160.8-176.70000108D184V182-D184 PolarHBondContact O-N 3.33Å
183P66.9Low54Low114 Ų114134.1 Ų134.174%0.7474%0.744SS**  trans-63.1126.5171.224-30.5000109.3L185P183-L185 PolarHBondContact O-N 2.8Å
184D68.6Low55.2Low145 Ų145136.8 Ų136.878%0.77574%0.737SS**  trans-55.3135.7-179.4-160.312.9000110.3V182 V186V182-D184 PolarHBondContact O-N 3.33Å; D184-V186 VanDerWaalsContact C-N 3.3Å; D184-V186 PolarHBondContact O-N 3.23Å
185L60.8Low56.3Low163 Ų163139.7 Ų139.785%0.85374%0.74SS**  trans-68.391.7-179.9-73.6167.6000108P183 E187P183-L185 PolarHBondContact O-N 2.8Å; L185-E187 PolarHBondContact O-N 3.04Å
186V60.2Low57.5Low114 Ų114143.2 Ų143.269%0.69175%0.749SS**  trans-58106.3175.4-179.30000108.8D184D184-V186 VanDerWaalsContact C-N 3.3Å; D184-V186 PolarHBondContact O-N 3.23Å
187E56.9Low58.5Low157 Ų157139.6 Ų139.673%0.73475%0.748SS**  trans62.3103.5154.9-62.1-179.7162.300116.3L185 F189L185-E187 PolarHBondContact O-N 3.04Å; E187-F189 WeakPolarHBondContact O-CD2 3.46Å; E187-F189 PolarHBondContact O-N 2.82Å
188N58.9Low58.6Low124 Ų124142.1 Ų142.166%0.66377%0.767SS**  trans-4697.8160.4-173.415000110.4D190 E191N188-D190 PolarHBondContact O-N 3Å; N188-D190 WeakPolarHBondContact OD1-CB 3.26Å; N188-E191 PolarHBondContact O-N 3.08Å
189F58.9Low59.5Low189 Ų189141.1 Ų141.183%0.82977%0.767SS**THydrogen-bonded Turntrans-561177.8-76.3-93000114.8E187E187-F189 WeakPolarHBondContact O-CD2 3.46Å; E187-F189 PolarHBondContact O-N 2.82Å
190D60.7Low59.8Low110 Ų110139.5 Ų139.559%0.58876%0.76SS**THydrogen-bonded Turntrans-88.9-4-178.7-137.317.7000113.6N188 S193N188-D190 PolarHBondContact O-N 3Å; N188-D190 WeakPolarHBondContact OD1-CB 3.26Å; D190-S193 PolarHBondContact O-OG 3.17Å
191E58.5Low59.9Low140 Ų140140.3 Ų140.365%0.65477%0.765SS**SBendtrans-87.1-33.2172.9-155.895.4-144.800112N188 S193 K194N188-E191 PolarHBondContact O-N 3.08Å; E191-S193 PolarHBondContact O-N 3.27Å; E191-S193 VanDerWaalsContact O-N 3.14Å; E191-K194 PolarHBondContact O-N 3.21Å
192A57.7Low59.7Low82 Ų82139.1 Ų139.168%0.67876%0.759SS**THydrogen-bonded Turntrans-70.3-7.9-178.400000114.4
193S57.3Low59.6Low79 Ų79139.7 Ų139.755%0.55276%0.757SS**THydrogen-bonded Turntrans-96.9-0.4-177.357.90000114.3D190 E191D190-S193 PolarHBondContact O-OG 3.17Å; E191-S193 PolarHBondContact O-N 3.27Å; E191-S193 VanDerWaalsContact O-N 3.14Å
194K62.3Low59.1Low155 Ų155141.4 Ų141.467%0.67476%0.759SS**SBendtrans-98.3-16.2179.1-78.5173-175.8155.60115.3E191E191-K194 PolarHBondContact O-N 3.21Å
195D61.5Low58.4Low149 Ų149141.1 Ų141.180%0.79776%0.757SS**THydrogen-bonded Turntrans-931.1-174-73.6-29.5000115.1
196E60.8Low58.2Low192 Ų192139.5 Ų139.590%0.89775%0.75SS**THydrogen-bonded Turntrans-101.411.5174.9-66.4-139157.400114.6
197A57.1Low58.1Low93 Ų93141.6 Ų141.677%0.76976%0.755SS**  trans-113.359.317500000112.4
198N46Very low58.2Low229 Ų229140.2 Ų140.2100%1.22576%0.757SS**  trans-1480153.1-176.761.4000111.9

Retrieved 198 of 198 residues in 194.3 ms (Link to these results)