A0A096N2V2_PAPAN Loading...

Homeobox expressed in ES cells 1

Required for the normal development of the forebrain, eyes and other anterior structures such as the olfactory placodes and pituitary gland. Possible transcriptional repressor. Binds to the palindromic PIII sequence, 5'-AGCTTGAGTCTAATTGAATTAACTGTAC-3'. HESX1 and PROP1 bind as heterodimers on this palindromic site, and, in vitro, HESX1 can antagonize PROP1 activation.

AlphaFold DB , UniProt , Accession A0A096N2V2, Species PAPAN (Papio anubis, Olive baboon), Gene HESX1, Length 185 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
1M49.8Very low43.2Very low241 Ų241153.9 Ų153.9100%1.18787%0.867SS**  0870-81.6-78.4162.800108.4
2S41.3Very low42.9Very low123 Ų123146.8 Ų146.886%0.8685%0.854SS**  trans-155.1134.5163.5-620000107.8
3P51.8Low42.6Very low117 Ų117149.5 Ų149.576%0.7685%0.854SS**  trans-104.2168-175.837.7-30.6000113.9
4S43.1Very low42.7Very low112 Ų112147.1 Ų147.178%0.78385%0.851SS**  trans69113.7152.339.80000120
5L41.7Very low43.1Very low181 Ų181150.3 Ų150.395%0.94885%0.85SS**  trans-142.5134.1131.9-97.8171.6000109.3
6Q49.8Very low43.3Very low189 Ų189147.7 Ų147.788%0.88384%0.841SS**  trans-91.7129.6-178.7-174.5178.414.400107.5
7E41.3Very low44Very low191 Ų191145.5 Ų145.589%0.89384%0.838SS**  trans-150.6115163.1-142.2169.1175.900109.1
8G39.6Very low44.5Very low62 Ų62143.4 Ų143.464%0.63983%0.828SS**  trans-75.4159.9167.900000110.3
9S38.7Very low45.2Very low113 Ų113141.9 Ų141.979%0.7983%0.825SS**  trans174.3115.8140.1-78.90000110.9
10Q42.1Very low45.9Very low191 Ų191137.9 Ų137.989%0.89381%0.805SS**  trans58.199.3140.9-55.2-144.45900119G12Q10-G12 PolarHBondContact O-N 3.36Å
11L35.9Very low46.8Very low173 Ų173139.8 Ų139.891%0.90680%0.804SS**  trans-65.191.1159.6-171.174.2000109.4E13L11-E13 PolarHBondContact O-N 3.35Å
12G39.7Very low48.1Very low69 Ų69129.8 Ų129.871%0.71176%0.758SS**  trans-76.8108.2166.300000110Q10 S14Q10-G12 PolarHBondContact O-N 3.36Å; G12-S14 PolarHBondContact O-N 3.23Å; G12-S14 VanDerWaalsContact O-N 3.17Å
13E38.6Very low49.8Very low182 Ų182129.5 Ų129.585%0.8575%0.745SS**  trans-55.6113.4174.9-65.5173.9119.700111L11 K15L11-E13 PolarHBondContact O-N 3.35Å; E13-K15 PolarHBondContact O-N 3.22Å
14S44.3Very low51.1Low115 Ų115129.4 Ų129.480%0.80474%0.735SS**  trans-79.6105.1167.643.90000108.8G12G12-S14 PolarHBondContact O-N 3.23Å; G12-S14 VanDerWaalsContact O-N 3.17Å
15K49Very low52.7Low195 Ų195130.5 Ų130.585%0.84873%0.726SS**  trans-55.9126.5170.1-75.4173.8174.2172.50110.1E13 S17E13-K15 PolarHBondContact O-N 3.22Å; K15-S17 PolarHBondContact O-N 3.31Å
16P45.7Very low54.5Low109 Ų109126.5 Ų126.571%0.70870%0.704SS**  trans-69.2124162.727.2-30000108.8T18P16-T18 VanDerWaalsContact C-N 3.26Å; P16-T18 PolarHBondContact O-N 3.48Å
17S55.6Low55.9Low111 Ų111122.9 Ų122.978%0.77669%0.69SS**  trans-69.985.6169.7-170.60000108.9K15 C19K15-S17 PolarHBondContact O-N 3.31Å; S17-C19 PolarHBondContact O-N 3.33Å
18T53.4Low57.4Low107 Ų107115.9 Ų115.966%0.65667%0.669SS**  trans-79.675.4174.7-45.90000109.1P16 S20P16-T18 VanDerWaalsContact C-N 3.26Å; P16-T18 PolarHBondContact O-N 3.48Å; T18-S20 PolarHBondContact O-N 3.39Å
19C57.6Low59.1Low115 Ų115119 Ų11978%0.77767%0.671SS**  trans-73.373.6161.2-73.90000108.7S17 F21S17-C19 PolarHBondContact O-N 3.33Å; C19-F21 PolarHBondContact O-N 2.73Å; C19-F21 VanDerWaalsContact O-N 3.15Å
20S58.4Low60.6Low62 Ų62119.6 Ų119.643%0.43467%0.665SS.*  trans-74101.6170.7172.50000108.8T18 S22 K25T18-S20 PolarHBondContact O-N 3.39Å; S20-S22 PolarHBondContact O-N 3.49Å; S20-S22 VanDerWaalsContact O-N 3.14Å; S20-K25 WeakPolarHBondContact O-CD 3.35Å
21F64.7Low61.7Low177 Ų177118.8 Ų118.878%0.77666%0.661SS**  trans-77.675.7159.8-173.2-97.6000107.6C19 I26C19-F21 PolarHBondContact O-N 2.73Å; C19-F21 VanDerWaalsContact O-N 3.15Å; F21-I26 HydrophobicContact CD1-CD1 3.94Å; F21-I26 HydrophobicContact CD2-CD1 3.88Å; F21-I26 HydrophobicContact CD2-CG1 4.34Å; F21-I26 HydrophobicContact CE1-CD1 3.41Å; F21-I26 VanDerWaalsContact CE1-CD1 3.41Å; F21-I26 HydrophobicContact CE2-CD1 3.34Å; F21-I26 HydrophobicContact CE2-CG1 3.98Å; F21-I26 HydrophobicContact CG-CD1 4.18Å; F21-I26 HydrophobicContact CZ-CD1 3.1Å; F21-I26 HydrophobicContact CZ-CG1 4.21Å
22S78.1Confident62.8Low32 Ų32119.8 Ų119.822%0.22466%0.658CS.*  trans-84.7138.3168.9-179.50000109.1S20 E24 K25 I26S20-S22 PolarHBondContact O-N 3.49Å; S20-S22 VanDerWaalsContact O-N 3.14Å; S22-E24 PolarHBondContact O-N 3.39Å; S22-E24 PolarHBondContact OG-N 3.26Å; S22-E24 PolarHBondContact OG-OE2 3.42Å; S22-K25 WeakPolarHBondContact O-CA 3.3Å; S22-K25 VanDerWaalsContact O-CB 3.3Å; S22-K25 WeakPolarHBondContact O-CB 3.38Å; S22-K25 PolarHBondContact O-N 3.2Å; S22-I26 PolarHBondContact O-N 3.15Å
23I76.6Confident63.5Low116 Ų116125.6 Ų125.660%0.59566%0.664SS**Hα-helixtrans-54.9-34.1172.6-62-179.8000110K25 I26 L27I23-K25 VanDerWaalsContact C-N 3.28Å; I23-K25 PolarHBondContact O-N 2.99Å; I23-I26 PolarHBondContact O-N 2.69Å; I23-L27 HydrophobicContact CG2-CD1 3.56Å; I23-L27 HydrophobicContact CG2-CG 3.95Å; I23-L27 WeakPolarHBondContact O-CB 3.32Å; I23-L27 VanDerWaalsContact O-CG 3.25Å; I23-L27 WeakPolarHBondContact O-CG 3.44Å; I23-L27 PolarHBondContact O-N 2.75Å
24E80.4Confident63.7Low116 Ų116124.4 Ų124.454%0.54266%0.664SS.*Hα-helixtrans-63.5-34.6176.8-60.7151.9162.100112.1S22 G28 L29S22-E24 PolarHBondContact O-N 3.39Å; S22-E24 PolarHBondContact OG-N 3.26Å; S22-E24 PolarHBondContact OG-OE2 3.42Å; E24-G28 CarbonylContact O-C 3.46Å; E24-G28 PolarHBondContact O-N 3.14Å; E24-L29 HydrophobicContact CB-CB 4.39Å; E24-L29 PolarHBondContact O-N 3.27Å
25K75.1Confident63.9Low135 Ų135125.4 Ų125.459%0.58767%0.669SS**Hα-helixtrans-72.7-33.3177.4-158.9175.2-170.61730111.9S20 S22 I23S20-K25 WeakPolarHBondContact O-CD 3.35Å; S22-K25 WeakPolarHBondContact O-CA 3.3Å; S22-K25 VanDerWaalsContact O-CB 3.3Å; S22-K25 WeakPolarHBondContact O-CB 3.38Å; S22-K25 PolarHBondContact O-N 3.2Å; I23-K25 VanDerWaalsContact C-N 3.28Å; I23-K25 PolarHBondContact O-N 2.99Å
26I79.8Confident63.9Low97 Ų97122 Ų12250%0.49766%0.664SS.*Hα-helixtrans-74.6-40.9175.7-57.6164000110.6F21 S22 I23 G28F21-I26 HydrophobicContact CD1-CD1 3.94Å; F21-I26 HydrophobicContact CD2-CD1 3.88Å; F21-I26 HydrophobicContact CD2-CG1 4.34Å; F21-I26 HydrophobicContact CE1-CD1 3.41Å; F21-I26 VanDerWaalsContact CE1-CD1 3.41Å; F21-I26 HydrophobicContact CE2-CD1 3.34Å; F21-I26 HydrophobicContact CE2-CG1 3.98Å; F21-I26 HydrophobicContact CG-CD1 4.18Å; F21-I26 HydrophobicContact CZ-CD1 3.1Å; F21-I26 HydrophobicContact CZ-CG1 4.21Å; S22-I26 PolarHBondContact O-N 3.15Å; I23-I26 PolarHBondContact O-N 2.69Å; I26-G28 VanDerWaalsContact C-N 3.25Å; I26-G28 PolarHBondContact O-N 3.45Å
27L79.1Confident64Low112 Ų112122.6 Ų122.659%0.58667%0.668SS**THydrogen-bonded Turntrans-80.5-5.2178.5-63.2-179.3000112.9I23 L29I23-L27 HydrophobicContact CG2-CD1 3.56Å; I23-L27 HydrophobicContact CG2-CG 3.95Å; I23-L27 WeakPolarHBondContact O-CB 3.32Å; I23-L27 VanDerWaalsContact O-CG 3.25Å; I23-L27 WeakPolarHBondContact O-CG 3.44Å; I23-L27 PolarHBondContact O-N 2.75Å; L27-L29 VanDerWaalsContact C-N 3.29Å; L27-L29 HydrophobicContact CB-CD1 4.05Å; L27-L29 HydrophobicContact CB-CG 3.94Å; L27-L29 HydrophobicContact CD1-CD1 4.24Å; L27-L29 PolarHBondContact O-N 3.22Å
28G72.8Confident63.8Low44 Ų44124.9 Ų124.945%0.45467%0.671SS.*THydrogen-bonded Turntrans69.223.5177.900000114.3E24 I26 D30E24-G28 CarbonylContact O-C 3.46Å; E24-G28 PolarHBondContact O-N 3.14Å; I26-G28 VanDerWaalsContact C-N 3.25Å; I26-G28 PolarHBondContact O-N 3.45Å; G28-D30 VanDerWaalsContact C-N 3.33Å
29L75.1Confident63.7Low128 Ų128131.1 Ų131.167%0.6768%0.682SS**THydrogen-bonded Turntrans-82.3-8.3-176.4-62.1176.5000113.7E24 L27 Q31E24-L29 HydrophobicContact CB-CB 4.39Å; E24-L29 PolarHBondContact O-N 3.27Å; L27-L29 VanDerWaalsContact C-N 3.29Å; L27-L29 HydrophobicContact CB-CD1 4.05Å; L27-L29 HydrophobicContact CB-CG 3.94Å; L27-L29 HydrophobicContact CD1-CD1 4.24Å; L27-L29 PolarHBondContact O-N 3.22Å; L29-Q31 VanDerWaalsContact C-N 3.26Å; L29-Q31 PolarHBondContact O-N 3.41Å
30D70.6Confident63.8Low125 Ų125134.4 Ų134.467%0.66868%0.683SS**THydrogen-bonded Turntrans-79.63.7-177.3-170.347000114.5G28 K32G28-D30 VanDerWaalsContact C-N 3.33Å; D30-K32 PolarHBondContact O-N 2.94Å
31Q65.7Low63.7Low174 Ų174135.8 Ų135.881%0.81369%0.691SS**  trans-94.1106.3-173.2-62.8-16210200112.6L29 K33L29-Q31 VanDerWaalsContact C-N 3.26Å; L29-Q31 PolarHBondContact O-N 3.41Å; Q31-K33 PolarHBondContact O-N 2.88Å
32K58.7Low63.4Low194 Ų194134.3 Ų134.384%0.84369%0.686SS**  trans-58.9104.5161.8-66.4179.3-179.3176.20108.8D30 D34D30-K32 PolarHBondContact O-N 2.94Å; K32-D34 PolarHBondContact O-N 3.22Å; K32-D34 VanDerWaalsContact O-N 3.12Å
33K54.1Low63.1Low192 Ų192139.3 Ų139.384%0.83570%0.7SS**  trans4.289.6151.135.9176.7167.4177.90115.6Q31Q31-K33 PolarHBondContact O-N 2.88Å
34D43.5Very low62.6Low157 Ų157137.9 Ų137.984%0.8470%0.698SS**  trans-124.8121140.2-78-48.3000107.8K32 V36K32-D34 PolarHBondContact O-N 3.22Å; K32-D34 VanDerWaalsContact O-N 3.12Å; D34-V36 PolarHBondContact O-N 3.45Å
35C47.4Very low61.8Low136 Ų136142.1 Ų142.192%0.91971%0.71SS**  trans-65.3112.2-170.4-77.70000112.2
36V49.9Very low61.2Low124 Ų124138.3 Ų138.375%0.75270%0.703SS**  trans-130.1131.5157-177.90000107.8D34 L38D34-V36 PolarHBondContact O-N 3.45Å; V36-L38 PolarHBondContact O-N 3.26Å; V36-L38 VanDerWaalsContact O-N 3.09Å
37P47.8Very low60Low121 Ų121139.6 Ų139.679%0.78671%0.711SS**  trans-64.2115.5-176.7-18.830.9000111.5R39P37-R39 PolarHBondContact O-N 3.47Å
38L50.6Low58.9Low159 Ų159140 Ų14083%0.83272%0.719SS**  trans-61.9112.7177.5-176.165.7000110.5V36 K40V36-L38 PolarHBondContact O-N 3.26Å; V36-L38 VanDerWaalsContact O-N 3.09Å; L38-K40 PolarHBondContact O-N 3.11Å
39R52.2Low57.8Low237 Ų237143.8 Ų143.889%0.89474%0.736SS**  trans-65.8102.8169.6-74.6-89.5167.6174.9-6.1108.5P37P37-R39 PolarHBondContact O-N 3.47Å
40K59.7Low56.4Low184 Ų184143.6 Ų143.680%0.875%0.746SS**  trans-56.7133.3173.7-85.9179.8174.4-179.30110.1L38 H42L38-K40 PolarHBondContact O-N 3.11Å; K40-H42 PolarHBondContact O-N 2.89Å
41P55.7Low54.9Low91 Ų91147 Ų14759%0.59176%0.755SS**  trans-61.1122.4169.8-1527.1000108.9R43P41-R43 PolarHBondContact O-N 3.05Å; P41-R43 VanDerWaalsContact O-N 3.11Å
42H57.9Low53.7Low147 Ų147144.5 Ų144.568%0.68176%0.757SS**  trans-62.6115.6175.3-17556.3000109.2K40K40-H42 PolarHBondContact O-N 2.89Å
43R72.4Confident52.9Low136 Ų136138.3 Ų138.351%0.51375%0.748SS.*  trans-12579.6178.5-69.8-81.6-171.1-95.7-0.6106.9P41 W45 A46P41-R43 PolarHBondContact O-N 3.05Å; P41-R43 VanDerWaalsContact O-N 3.11Å; R43-W45 PolarHBondContact O-N 2.75Å; R43-A46 HydrophobicContact CB-CB 3.93Å; R43-A46 PolarHBondContact O-N 3.33Å
44P65.8Low51.9Low86 Ų86138.2 Ų138.256%0.55875%0.748SS**THydrogen-bonded Turntrans-60.7-15-170.618.3-29.1000114.6
45W64.1Low51.8Low206 Ų206138.7 Ų138.778%0.7875%0.75SS**THydrogen-bonded Turntrans-90.4-5175.960.4-89.3000114.6R43R43-W45 PolarHBondContact O-N 2.75Å
46A63.4Low51.3Low55 Ų55135 Ų13546%0.45574%0.736SS.*THydrogen-bonded Turntrans-107.9-9.6-174.800000114.5R43 T48R43-A46 HydrophobicContact CB-CB 3.93Å; R43-A46 PolarHBondContact O-N 3.33Å; A46-T48 PolarHBondContact O-N 3.34Å
47D53.6Low51.3Low123 Ų123136.8 Ų136.866%0.65874%0.741SS**  trans-86.66.3-170.2-71.5-36.2000115.1C49D47-C49 PolarHBondContact O-N 3.25Å
48T56.1Low50.8Low122 Ų122138.6 Ų138.675%0.74874%0.743SS**SBendtrans-98.463.5174590000111.2A46A46-T48 PolarHBondContact O-N 3.34Å
49C49.7Very low50.5Low122 Ų122136.3 Ų136.382%0.82474%0.739SS**  trans-179.274160.7-97.60000110.4D47D47-C49 PolarHBondContact O-N 3.25Å
50S46.2Very low49.9Very low125 Ų125132.9 Ų132.987%0.87474%0.738SS**  trans-16380.5156.8-78.70000109.2
51F38.1Very low49.1Very low196 Ų196132 Ų13286%0.8674%0.736SS**  trans-124.593.9157.3-154.2-95.8000107.5
52S40.2Very low48.5Very low121 Ų121132.6 Ų132.685%0.84674%0.738SS**  trans-78.4131.5167.1174.80000108
53G42Very low47.7Very low65 Ų65130.7 Ų130.767%0.6774%0.738SS**  trans-65.9152.4-160.200000116.8
54K34.1Very low46Very low189 Ų189131.1 Ų131.182%0.82275%0.751SS**  trans-157.1132.8144.4-144163.2-176.4174.50109.2
55D42.2Very low45.1Very low167 Ų167132 Ų13289%0.89376%0.756SS**  trans-62.5134.9-173.5-41.6-58000110.8
56G35.5Very low43.9Very low59 Ų59128.7 Ų128.761%0.60876%0.762SS**  trans161.7100.3-179.300000110.6L58G56-L58 PolarHBondContact O-N 3.49Å
57N49.8Very low42.9Very low161 Ų161129.1 Ų129.186%0.86177%0.771SS**  trans-50.9100.5172.7-150.315.3000109.8
58L38.3Very low42.7Very low159 Ų159127.2 Ų127.283%0.83278%0.781SS**  trans-131.886.5173.1-76.1170.7000107.6G56 L60G56-L58 PolarHBondContact O-N 3.49Å; L58-L60 PolarHBondContact O-N 2.89Å
59C43.1Very low42.1Very low111 Ų111128.5 Ų128.575%0.7578%0.782SS**  trans-44.4127.5160.4-620000108.7H61C59-H61 PolarHBondContact O-N 3.39Å
60L40.8Very low41.7Very low166 Ų166128.2 Ų128.287%0.86978%0.781SS**  trans-48.7110.3173.1-71163000108.9L58 V62L58-L60 PolarHBondContact O-N 2.89Å; L60-V62 VanDerWaalsContact C-N 3.26Å; L60-V62 PolarHBondContact O-N 3.18Å
61H41.9Very low41.1Very low166 Ų166132 Ų13277%0.76978%0.782SS**  trans-70.488173.8-175-76.3000108.3C59C59-H61 PolarHBondContact O-N 3.39Å
62V44.4Very low41.3Very low103 Ų103128.2 Ų128.262%0.62478%0.777SS**  trans-62.3130.1161.71800000106.9L60 N64L60-V62 VanDerWaalsContact C-N 3.26Å; L60-V62 PolarHBondContact O-N 3.18Å; V62-N64 PolarHBondContact O-N 3.35Å
63P40.2Very low41.2Very low106 Ų106127.5 Ų127.569%0.68877%0.772SS**  trans-63.1110.9172.7-12.126000107.9P65P63-P65 WeakPolarHBondContact O-CD 3.39Å
64N37.6Very low41.4Very low145 Ų145132.6 Ų132.678%0.77578%0.781SS**PPolyproline II helixtrans-60.9126.3173.4-85.2-42.1000109.3V62V62-N64 PolarHBondContact O-N 3.35Å
65P45.7Very low41.7Very low104 Ų104129.8 Ų129.868%0.67578%0.779SS**PPolyproline II helixtrans-70.9145.9163.629.2-29.8000109.5P63 G67P63-P65 WeakPolarHBondContact O-CD 3.39Å; P65-G67 PolarHBondContact O-N 2.68Å
66P39.1Very low41.9Very low138 Ų138128.8 Ų128.890%0.89677%0.774SS**SBendtrans-76.9119.2179.230.9-29.7000109.2
67G42.6Very low42.3Very low63 Ų63134.1 Ų134.165%0.64978%0.782SS**SBendtrans132.1106.6170.800000112.4P65 I69P65-G67 PolarHBondContact O-N 2.68Å; G67-I69 PolarHBondContact O-N 3.27Å
68G49.8Very low42.2Very low84 Ų84132.1 Ų132.187%0.86678%0.778SS**  trans-58.3124.4-176.900000113.2
69I43.4Very low42Very low149 Ų149130.1 Ų130.176%0.76477%0.766SS**  trans-138.6112.3160.2-50.8177.1000105.9G67 F71G67-I69 PolarHBondContact O-N 3.27Å; I69-F71 PolarHBondContact O-N 2.9Å
70S40.1Very low42Very low115 Ų115129.2 Ų129.280%0.80476%0.759SS**PPolyproline II helixtrans-62.9124.9169.9-62.50000108.9P72S70-P72 VanDerWaalsContact O-CD 3.3Å; S70-P72 WeakPolarHBondContact O-CD 3.3Å
71F34Very low42.4Very low204 Ų204130.2 Ų130.290%0.89576%0.759SS**PPolyproline II helixtrans-69.1122.8175.9-74.3-85.3000110.5I69I69-F71 PolarHBondContact O-N 2.9Å
72P43Very low42.5Very low118 Ų118130.1 Ų130.177%0.76676%0.759SS**PPolyproline II helixtrans-75.8139.6163.2-8.326.6000109.6S70S70-P72 VanDerWaalsContact O-CD 3.3Å; S70-P72 WeakPolarHBondContact O-CD 3.3Å
73S37.1Very low42.7Very low106 Ų106133.2 Ų133.274%0.74176%0.76SS**  trans-38.1144.1175.4-173.80000114.6V75S73-V75 PolarHBondContact O-N 3.47Å
74M47.2Very low42.9Very low172 Ų172131.1 Ų131.185%0.84775%0.751SS**  trans-48.4126.8168-78.4-175.269.900110.5
75V40.1Very low43.4Very low129 Ų129128.4 Ų128.478%0.78274%0.743SS**  trans-130.5124.2160-1410000107S73 H77S73-V75 PolarHBondContact O-N 3.47Å; V75-H77 PolarHBondContact O-N 3.44Å
76D46.5Very low43.7Very low146 Ų146131.6 Ų131.678%0.78175%0.747SS**  trans-56.3111.2179.1-73.1-68.9000111.8
77H42.8Very low44.3Very low171 Ų171132 Ų13279%0.79273%0.731SS**  trans-139.9139.1156.4-88.3-54.7000110.7V75 M79V75-H77 PolarHBondContact O-N 3.44Å; H77-M79 PolarHBondContact O-N 2.8Å
78P48Very low44.9Very low120 Ų120133 Ų13378%0.77972%0.719SS**PPolyproline II helixtrans-64.2122.1179.711.2-5.8000109.1P80P78-P80 WeakPolarHBondContact O-CD 3.47Å
79M34.2Very low45.5Very low116 Ų116135.6 Ų135.657%0.57171%0.713SS**PPolyproline II helixtrans-72.1121.9-173.4-151.2-87.7-99.800110.1H77 E81 R83H77-M79 PolarHBondContact O-N 2.8Å; M79-E81 PolarHBondContact O-N 2.69Å; M79-R83 HydrophobicContact CE-CB 3.41Å; M79-R83 VanDerWaalsContact CE-CB 3.41Å; M79-R83 HydrophobicContact CE-CG 4.14Å; M79-R83 HydrophobicContact SD-CB 3.35Å; M79-R83 WeakPolarHBondContact SD-CB 3.47Å; M79-R83 HydrophobicContact SD-CG 4.3Å
80P44.2Very low46.2Very low93 Ų93137.3 Ų137.360%0.60471%0.711SS**PPolyproline II helixtrans-65134.5175.3-17.630.7000110P78 E82 R83P78-P80 WeakPolarHBondContact O-CD 3.47Å; P80-E82 PolarHBondContact O-N 3.24Å; P80-R83 PolarHBondContact O-N 2.81Å
81E48.7Very low47.2Very low187 Ų187136.9 Ų136.987%0.87470%0.695SS**G310 helixtrans-44.5-11.6178.5-161.9169.2-175.100115.5M79M79-E81 PolarHBondContact O-N 2.69Å
82E44.4Very low49.2Very low164 Ų164130.1 Ų130.177%0.76667%0.673SS**G310 helixtrans-76.7-22.2-176.1-154.7171.4-170.600114.9P80 A84P80-E82 PolarHBondContact O-N 3.24Å; E82-A84 VanDerWaalsContact C-N 3.35Å
83R47Very low50.5Low168 Ų168127.7 Ų127.763%0.63466%0.663SS**G310 helixtrans-79.7-15.9179.4-148-173.4-156.2135.94.3113.6M79 P80 S85M79-R83 HydrophobicContact CE-CB 3.41Å; M79-R83 VanDerWaalsContact CE-CB 3.41Å; M79-R83 HydrophobicContact CE-CG 4.14Å; M79-R83 HydrophobicContact SD-CB 3.35Å; M79-R83 WeakPolarHBondContact SD-CB 3.47Å; M79-R83 HydrophobicContact SD-CG 4.3Å; P80-R83 PolarHBondContact O-N 2.81Å; R83-S85 VanDerWaalsContact C-N 3.29Å; R83-S85 PolarHBondContact O-N 3.29Å
84A46.3Very low52.2Low62 Ų62126.3 Ų126.351%0.51265%0.654SS.*THydrogen-bonded Turntrans-67.1-32.6175.900000111.6E82 K86 Y87E82-A84 VanDerWaalsContact C-N 3.35Å; A84-K86 VanDerWaalsContact C-N 3.27Å; A84-K86 PolarHBondContact O-N 3.46Å; A84-Y87 PolarHBondContact O-N 2.87Å
85S47.6Very low53.3Low87 Ų87122.5 Ų122.561%0.60863%0.633SS**Hα-helixtrans-66-24-179.2-66.70000114.2R83 Y87R83-S85 VanDerWaalsContact C-N 3.29Å; R83-S85 PolarHBondContact O-N 3.29Å; S85-Y87 VanDerWaalsContact C-N 3.29Å; S85-Y87 PolarHBondContact O-N 2.95Å
86K51.2Low54.8Low171 Ų171120.5 Ų120.574%0.74361%0.612SS**Hα-helixtrans-75.4-19.1-176.6-140.8174.6-173178.60113.1A84A84-K86 VanDerWaalsContact C-N 3.27Å; A84-K86 PolarHBondContact O-N 3.46Å
87Y51.1Low55.8Low148 Ų148118.6 Ų118.658%0.5860%0.601SS**Hα-helixtrans-103.9-10.4-178.2-69.9-81.6000114.5A84 S85 N89 Y90A84-Y87 PolarHBondContact O-N 2.87Å; S85-Y87 VanDerWaalsContact C-N 3.29Å; S85-Y87 PolarHBondContact O-N 2.95Å; Y87-N89 PolarHBondContact O-N 3.4Å; Y87-Y90 HydrophobicContact CD1-CD2 4.33Å; Y87-Y90 PolarHBondContact O-N 3.15Å
88E55.8Low57.1Low82 Ų82113.1 Ų113.138%0.38358%0.582SS.*Hα-helixtrans-58.6-36.6174.3-72.8-67.2149.600111Y90 F91 R96E88-Y90 PolarHBondContact O-N 3.03Å; E88-Y90 VanDerWaalsContact O-N 3.14Å; E88-F91 PolarHBondContact O-N 2.92Å; E88-R96 PolarHBondContact O-NE 2.95Å; E88-R96 PolarHBondContact O-NH2 3.47Å; E88-R96 WeakPolarHBondContact OE2-CD 3.49Å; E88-R96 IonicContact OE2-NE 2.7Å
89N61.8Low58Low139 Ų139111.3 Ų111.374%0.74357%0.566SS**THydrogen-bonded Turntrans-66.4-11.9-179.6-91.8-21.7000116Y87Y87-N89 PolarHBondContact O-N 3.4Å
90Y59.9Low59.4Low186 Ų186113.3 Ų113.373%0.72957%0.571SS**THydrogen-bonded Turntrans-91.5-11.5177.7-73.8-84.7000113.9Y87 E88Y87-Y90 HydrophobicContact CD1-CD2 4.33Å; Y87-Y90 PolarHBondContact O-N 3.15Å; E88-Y90 PolarHBondContact O-N 3.03Å; E88-Y90 VanDerWaalsContact O-N 3.14Å
91F60.4Low60.4Low105 Ų105117.1 Ų117.146%0.46157%0.573SS.*SBendtrans-97.6133.4178.2-76.4-78.7000110.9E88 E95 R96E88-F91 PolarHBondContact O-N 2.92Å; F91-E95 WeakPolarHBondContact CA-OE2 3.35Å; F91-E95 HydrophobicContact CB-CB 3.93Å; F91-E95 HydrophobicContact CD1-CB 3.6Å; F91-E95 HydrophobicContact CD1-CG 4.17Å; F91-E95 WeakPolarHBondContact CD1-OE2 3.25Å; F91-E95 HydrophobicContact CG-CB 4.21Å; F91-R96 HydrophobicContact CB-CG 4Å; F91-R96 PolarHBondContact O-NE 2.91Å; F91-R96 PolarHBondContact O-NH2 2.96Å; F91-R96 VanDerWaalsContact O-NH2 3.15Å
92S76.2Confident61.3Low62 Ų62113.3 Ų113.343%0.43456%0.555SS.*  trans-52.9152169.1169.70000110.3S94 E95 R96S92-S94 PolarHBondContact O-N 3.03Å; S92-S94 PolarHBondContact OG-N 3.42Å; S92-S94 PolarHBondContact OG-OG 3.46Å; S92-E95 WeakPolarHBondContact CB-OE2 3.38Å; S92-E95 PolarHBondContact N-OE2 3.48Å; S92-E95 PolarHBondContact O-N 3.06Å; S92-R96 PolarHBondContact O-N 2.68Å; S92-R96 VanDerWaalsContact O-N 3.11Å
93A70.9Confident62.2Low67 Ų67109.2 Ų109.255%0.55454%0.539SS*.Hα-helixtrans-52.2-31.8174.100000112.2L97A93-L97 WeakPolarHBondContact O-CB 3.32Å; A93-L97 WeakPolarHBondContact O-CD1 3.32Å; A93-L97 VanDerWaalsContact O-CG 3.25Å; A93-L97 WeakPolarHBondContact O-CG 3.28Å; A93-L97 PolarHBondContact O-N 3.38Å
94S70.9Confident62.9Low78 Ų78104.4 Ų104.455%0.54553%0.531SS..Hα-helixtrans-70.6-35.5175.770.40000113.1S92 L97 S98S92-S94 PolarHBondContact O-N 3.03Å; S92-S94 PolarHBondContact OG-N 3.42Å; S92-S94 PolarHBondContact OG-OG 3.46Å; S94-L97 PolarHBondContact O-N 2.92Å; S94-S98 WeakPolarHBondContact O-CB 3.45Å; S94-S98 PolarHBondContact O-N 3.42Å
95E71.1Confident63.6Low91 Ų91106.7 Ų106.743%0.42553%0.526SS..Hα-helixtrans-74-39.7-178.6-69168.8139.900111.2F91 S92 L97 S98 L99F91-E95 WeakPolarHBondContact CA-OE2 3.35Å; F91-E95 HydrophobicContact CB-CB 3.93Å; F91-E95 HydrophobicContact CD1-CB 3.6Å; F91-E95 HydrophobicContact CD1-CG 4.17Å; F91-E95 WeakPolarHBondContact CD1-OE2 3.25Å; F91-E95 HydrophobicContact CG-CB 4.21Å; S92-E95 WeakPolarHBondContact CB-OE2 3.38Å; S92-E95 PolarHBondContact N-OE2 3.48Å; S92-E95 PolarHBondContact O-N 3.06Å; E95-L97 VanDerWaalsContact C-N 3.33Å; E95-L97 PolarHBondContact O-N 2.96Å; E95-S98 WeakPolarHBondContact O-CB 3.49Å; E95-S98 PolarHBondContact O-N 3.16Å; E95-L99 WeakPolarHBondContact O-CB 3.35Å; E95-L99 PolarHBondContact O-N 3.26Å
96R71.1Confident64.3Low88 Ų88109.6 Ų109.633%0.33253%0.525SS..Hα-helixtrans-61.9-41.2171.7-63.3-172.4-162.2131.88.7112.2E88 F91 S92 S98 K100E88-R96 PolarHBondContact O-NE 2.95Å; E88-R96 PolarHBondContact O-NH2 3.47Å; E88-R96 WeakPolarHBondContact OE2-CD 3.49Å; E88-R96 IonicContact OE2-NE 2.7Å; F91-R96 HydrophobicContact CB-CG 4Å; F91-R96 PolarHBondContact O-NE 2.91Å; F91-R96 PolarHBondContact O-NH2 2.96Å; F91-R96 VanDerWaalsContact O-NH2 3.15Å; S92-R96 PolarHBondContact O-N 2.68Å; S92-R96 VanDerWaalsContact O-N 3.11Å; R96-S98 VanDerWaalsContact C-N 3.34Å; R96-K100 VanDerWaalsContact O-CB 3.3Å; R96-K100 WeakPolarHBondContact O-CB 3.42Å; R96-K100 PolarHBondContact O-N 3.02Å
97L67.6Low64.8Low105 Ų105111.7 Ų111.755%0.5553%0.528SS..Hα-helixtrans-67.1-36.3176.2-74.5167.5000111.8A93 S94 E95 R101A93-L97 WeakPolarHBondContact O-CB 3.32Å; A93-L97 WeakPolarHBondContact O-CD1 3.32Å; A93-L97 VanDerWaalsContact O-CG 3.25Å; A93-L97 WeakPolarHBondContact O-CG 3.28Å; A93-L97 PolarHBondContact O-N 3.38Å; S94-L97 PolarHBondContact O-N 2.92Å; E95-L97 VanDerWaalsContact C-N 3.33Å; E95-L97 PolarHBondContact O-N 2.96Å; L97-R101 WeakPolarHBondContact O-CB 3.38Å; L97-R101 PolarHBondContact O-N 2.95Å
98S71.7Confident65.5Low57 Ų57107.9 Ų107.940%0.39953%0.534SS..Hα-helixtrans-65.1-49.5174.9-166.90000111.2S94 E95 R96 K100 R101 E102S94-S98 WeakPolarHBondContact O-CB 3.45Å; S94-S98 PolarHBondContact O-N 3.42Å; E95-S98 WeakPolarHBondContact O-CB 3.49Å; E95-S98 PolarHBondContact O-N 3.16Å; R96-S98 VanDerWaalsContact C-N 3.34Å; S98-K100 VanDerWaalsContact C-N 3.34Å; S98-K100 PolarHBondContact O-N 3.4Å; S98-R101 WeakPolarHBondContact O-CB 3.42Å; S98-R101 PolarHBondContact O-N 2.98Å; S98-R101 VanDerWaalsContact O-N 3.15Å; S98-E102 WeakPolarHBondContact O-CB 3.44Å; S98-E102 PolarHBondContact O-N 3.39Å
99L65.1Low66.4Low82 Ų82112.4 Ų112.443%0.42955%0.547SS..Hα-helixtrans-62.6-40.1178.4-169.570.6000111.7E95 R101 E102 L103E95-L99 WeakPolarHBondContact O-CB 3.35Å; E95-L99 PolarHBondContact O-N 3.26Å; L99-R101 VanDerWaalsContact C-N 3.34Å; L99-R101 PolarHBondContact O-N 3.35Å; L99-E102 CarbonylContact O-C 3.59Å; L99-E102 PolarHBondContact O-N 2.87Å; L99-L103 HydrophobicContact CG-CD1 4.08Å; L99-L103 WeakPolarHBondContact O-CB 3.43Å; L99-L103 VanDerWaalsContact O-CG 3.32Å; L99-L103 WeakPolarHBondContact O-CG 3.21Å; L99-L103 PolarHBondContact O-N 2.84Å
100K64.8Low67.1Low157 Ų157113.1 Ų113.168%0.68354%0.539SS*.Hα-helixtrans-63.3-39.9174.9-171.2176.1-179.9179.10112R96 S98 L103 S104R96-K100 VanDerWaalsContact O-CB 3.3Å; R96-K100 WeakPolarHBondContact O-CB 3.42Å; R96-K100 PolarHBondContact O-N 3.02Å; S98-K100 VanDerWaalsContact C-N 3.34Å; S98-K100 PolarHBondContact O-N 3.4Å; K100-L103 PolarHBondContact O-N 2.99Å; K100-S104 VanDerWaalsContact O-CB 3.28Å; K100-S104 WeakPolarHBondContact O-CB 3.35Å; K100-S104 PolarHBondContact O-N 3Å
101R65.9Low68Low174 Ų174109.1 Ų109.166%0.65754%0.537SS*.Hα-helixtrans-66.2-41.2174.3-166.6-176.6-58.7139.42.9111L97 S98 L99 L103 S104L97-R101 WeakPolarHBondContact O-CB 3.38Å; L97-R101 PolarHBondContact O-N 2.95Å; S98-R101 WeakPolarHBondContact O-CB 3.42Å; S98-R101 PolarHBondContact O-N 2.98Å; S98-R101 VanDerWaalsContact O-N 3.15Å; L99-R101 VanDerWaalsContact C-N 3.34Å; L99-R101 PolarHBondContact O-N 3.35Å; R101-L103 VanDerWaalsContact C-N 3.32Å; R101-L103 PolarHBondContact O-N 3.46Å; R101-S104 PolarHBondContact O-N 3.27Å; R101-S104 PolarHBondContact O-OG 3.19Å
102E65.9Low69.3Low106 Ų106115.9 Ų115.950%0.49556%0.559SS.*Hα-helixtrans-71.5-22.3177.6-165.4152.6-120.900113.4S98 L99 W105 Y106S98-E102 WeakPolarHBondContact O-CB 3.44Å; S98-E102 PolarHBondContact O-N 3.39Å; L99-E102 CarbonylContact O-C 3.59Å; L99-E102 PolarHBondContact O-N 2.87Å; E102-W105 PolarHBondContact O-NE1 3.3Å; E102-Y106 WeakPolarHBondContact O-CD2 3.26Å
103L64.4Low69.9Low79 Ų79114.8 Ų114.841%0.41455%0.55SS..Hα-helixtrans-90.6-26170.6-66.9170.7000111.5L99 K100 R101 W105 Y106 R107L99-L103 HydrophobicContact CG-CD1 4.08Å; L99-L103 WeakPolarHBondContact O-CB 3.43Å; L99-L103 VanDerWaalsContact O-CG 3.32Å; L99-L103 WeakPolarHBondContact O-CG 3.21Å; L99-L103 PolarHBondContact O-N 2.84Å; K100-L103 PolarHBondContact O-N 2.99Å; R101-L103 VanDerWaalsContact C-N 3.32Å; R101-L103 PolarHBondContact O-N 3.46Å; L103-W105 VanDerWaalsContact C-N 3.31Å; L103-W105 PolarHBondContact O-N 3.42Å; L103-Y106 PolarHBondContact O-N 2.89Å; L103-R107 VanDerWaalsContact O-CB 3.32Å; L103-R107 WeakPolarHBondContact O-CB 3.37Å; L103-R107 PolarHBondContact O-N 3.39Å
104S61.3Low71Confident67 Ų67116 Ų11647%0.46956%0.56SS.*Hα-helixtrans-63.5-33.2-179.173.80000113.5K100 R101 Y106 R107 G108K100-S104 VanDerWaalsContact O-CB 3.28Å; K100-S104 WeakPolarHBondContact O-CB 3.35Å; K100-S104 PolarHBondContact O-N 3Å; R101-S104 PolarHBondContact O-N 3.27Å; R101-S104 PolarHBondContact O-OG 3.19Å; S104-Y106 PolarHBondContact O-N 2.9Å; S104-R107 PolarHBondContact O-N 2.97Å; S104-G108 PolarHBondContact O-N 3.41Å
105W61.8Low72.2Confident110 Ų110114.8 Ų114.842%0.41755%0.545SS..Hα-helixtrans-71.1-22.8178.572.7-97000113.5E102 L103 R109E102-W105 PolarHBondContact O-NE1 3.3Å; L103-W105 VanDerWaalsContact C-N 3.31Å; L103-W105 PolarHBondContact O-N 3.42Å; W105-R109 PolarHBondContact O-NE 2.7Å
106Y61.2Low73.5Confident147 Ų147114.3 Ų114.358%0.57655%0.548SS*.Hα-helixtrans-89-36.9172.6-71.6-71.2000112.3E102 L103 S104 G108E102-Y106 WeakPolarHBondContact O-CD2 3.26Å; L103-Y106 PolarHBondContact O-N 2.89Å; S104-Y106 PolarHBondContact O-N 2.9Å; Y106-G108 VanDerWaalsContact C-N 3.32Å; Y106-G108 PolarHBondContact O-N 2.88Å
107R62.8Low74.7Confident215 Ų215115.9 Ų115.981%0.81156%0.559SS**Hα-helixtrans-76.3-12.3-170.2-152.2-165.1-81.6-122.64.6114.6L103 S104L103-R107 VanDerWaalsContact O-CB 3.32Å; L103-R107 WeakPolarHBondContact O-CB 3.37Å; L103-R107 PolarHBondContact O-N 3.39Å; S104-R107 PolarHBondContact O-N 2.97Å
108G64.8Low76.1Confident68 Ų68115.8 Ų115.870%0.70156%0.559SS**THydrogen-bonded Turntrans-111.4-0.4-174.400000116.4S104 Y106S104-G108 PolarHBondContact O-N 3.41Å; Y106-G108 VanDerWaalsContact C-N 3.32Å; Y106-G108 PolarHBondContact O-N 2.88Å
109R73.9Confident77.4Confident178 Ų178114.5 Ų114.567%0.67255%0.547SS*.PPolyproline II helixtrans-87123.5-178.1-66.5-176.4-156.8-119.44.6110W105W105-R109 PolarHBondContact O-NE 2.7Å
110R77.1Confident79Confident153 Ų153113 Ų11358%0.57754%0.539SS*.PPolyproline II helixtrans-55.2140167.7-69.6-174.4177.6144.3-0.4109.1D150R110-D150 IonicContact CZ-OD2 2.65Å; R110-D150 IonicContact NH1-OD1 3.72Å; R110-D150 PolarHBondContact NH1-OD1 2.86Å; R110-D150 IonicContact NH1-OD2 3.61Å; R110-D150 PolarHBondContact NH1-OD2 3.37Å
111P79.8Confident80.6Confident103 Ų103110.2 Ų110.267%0.66953%0.528SS*.PPolyproline II helixtrans-56.6147.1178.122.6-32.5000110.6T113 R151P111-T113 PolarHBondContact O-N 3.37Å; P111-R151 PolarHBondContact O-NH1 3.16Å; P111-R151 PolarHBondContact O-NH2 3Å
112R86.3Confident82.1Confident246 Ų246104.3 Ų104.393%0.92851%0.512SS*.PPolyproline II helixtrans-70.3125.1-178.9-172.7-179.9179.499.4-1.2109.5
113T89.4Confident83.6Confident40 Ų4099.3 Ų99.325%0.24549%0.488CS..PPolyproline II helixtrans-82.8129.5171.7-52.50000109.5P111 F115 L147 R151P111-T113 PolarHBondContact O-N 3.37Å; T113-F115 HydrophobicContact CG2-CD1 4.2Å; T113-F115 HydrophobicContact CG2-CE1 3.87Å; T113-F115 HydrophobicContact CG2-CZ 4.15Å; T113-L147 HydrophobicContact CG2-CD2 4.25Å; T113-R151 WeakPolarHBondContact OG1-CD 3.17Å; T113-R151 PolarHBondContact OG1-NE 3.21Å; T113-R151 PolarHBondContact OG1-NH1 2.98Å; T113-R151 VanDerWaalsContact OG1-NH1 3.16Å
114A93.7Very high85.2Confident92 Ų9298.6 Ų98.676%0.7648%0.482SS*.PPolyproline II helixtrans-97.6127164.700000108.3
115F96.4Very high87Confident53 Ų5399.5 Ų99.523%0.23248%0.482CS..PPolyproline II helixtrans-91.6142177.1-57.6-75.1000109.6T113 Q119 I120 L147 R151 W155T113-F115 HydrophobicContact CG2-CD1 4.2Å; T113-F115 HydrophobicContact CG2-CE1 3.87Å; T113-F115 HydrophobicContact CG2-CZ 4.15Å; F115-Q119 HydrophobicContact CB-CB 4.38Å; F115-I120 HydrophobicContact CB-CD1 4.23Å; F115-I120 HydrophobicContact CB-CG1 3.79Å; F115-L147 HydrophobicContact CD1-CD1 3.77Å; F115-L147 HydrophobicContact CD1-CD2 4.36Å; F115-L147 HydrophobicContact CE1-CD1 3.73Å; F115-L147 HydrophobicContact CE1-CD2 4.25Å; F115-R151 HydrophobicContact CE1-CB 4.36Å; F115-R151 HydrophobicContact CZ-CB 4.34Å; F115-W155 AromaticContact CD2-CD1 3.76Å; F115-W155 HydrophobicContact CE2-CB 4.39Å; F115-W155 AromaticContact CE2-CD1 3.56Å; F115-W155 HydrophobicContact CE2-CG 4.37Å; F115-W155 HydrophobicContact CZ-CB 4.22Å
116T98Very high88.7Confident80 Ų8095.9 Ų95.949%0.49147%0.472SS..PPolyproline II helixtrans-72.6161.3170.569.50000110.4N118 Q119 I120T116-N118 VanDerWaalsContact C-N 3.34Å; T116-N118 PolarHBondContact O-N 3.43Å; T116-Q119 WeakPolarHBondContact O-CB 3.29Å; T116-Q119 PolarHBondContact O-N 3.17Å; T116-Q119 VanDerWaalsContact OG1-CG 3.29Å; T116-Q119 WeakPolarHBondContact OG1-CG 3.35Å; T116-Q119 PolarHBondContact OG1-N 2.89Å; T116-Q119 PolarHBondContact OG1-OE1 2.9Å; T116-I120 WeakPolarHBondContact O-CG1 3.49Å; T116-I120 PolarHBondContact O-N 3.38Å
117Q97.2Very high90.5Very high121 Ų12189.7 Ų89.757%0.56545%0.448SS*.Hα-helixtrans-58.1-45.5178.9-177.958.224.200112Q119 I120 E121Q117-Q119 VanDerWaalsContact C-N 3.33Å; Q117-Q119 PolarHBondContact O-N 3.37Å; Q117-I120 WeakPolarHBondContact O-CB 3.3Å; Q117-I120 PolarHBondContact O-N 2.93Å; Q117-I120 VanDerWaalsContact O-N 3.13Å; Q117-E121 WeakPolarHBondContact CG-OE1 3.35Å; Q117-E121 PolarHBondContact NE2-OE1 3.5Å; Q117-E121 WeakPolarHBondContact O-CG 3.43Å; Q117-E121 PolarHBondContact O-N 3.39Å
118N97.8Very high92.1Very high104 Ų10487.6 Ų87.656%0.55644%0.44SS*.Hα-helixtrans-59.1-40.9176.2-179.462.1000112.6T116 I120 E121 V122T116-N118 VanDerWaalsContact C-N 3.34Å; T116-N118 PolarHBondContact O-N 3.43Å; N118-I120 VanDerWaalsContact C-N 3.35Å; N118-I120 PolarHBondContact O-N 3.11Å; N118-E121 PolarHBondContact O-N 3.22Å; N118-V122 WeakPolarHBondContact O-CG2 3.28Å; N118-V122 PolarHBondContact O-N 2.65Å
119Q97.8Very high93.7Very high29 Ų2990.5 Ų90.514%0.13644%0.444CS..Hα-helixtrans-63-42.9175.8-72.6170.4-2700111.4F115 T116 Q117 L123 L145 L147F115-Q119 HydrophobicContact CB-CB 4.38Å; T116-Q119 WeakPolarHBondContact O-CB 3.29Å; T116-Q119 PolarHBondContact O-N 3.17Å; T116-Q119 VanDerWaalsContact OG1-CG 3.29Å; T116-Q119 WeakPolarHBondContact OG1-CG 3.35Å; T116-Q119 PolarHBondContact OG1-N 2.89Å; T116-Q119 PolarHBondContact OG1-OE1 2.9Å; Q117-Q119 VanDerWaalsContact C-N 3.33Å; Q117-Q119 PolarHBondContact O-N 3.37Å; Q119-L123 WeakPolarHBondContact O-CB 3.36Å; Q119-L123 WeakPolarHBondContact O-CD1 3.46Å; Q119-L123 WeakPolarHBondContact O-CG 3.28Å; Q119-L123 PolarHBondContact O-N 3.18Å; Q119-L123 VanDerWaalsContact O-N 3.11Å; Q119-L145 HydrophobicContact CG-CB 4.3Å; Q119-L145 HydrophobicContact CG-CD2 4.19Å; Q119-L145 PolarHBondContact NE2-O 2.88Å; Q119-L147 HydrophobicContact CG-CD1 4.5Å
120I98.1Very high94.7Very high50 Ų5084.7 Ų84.726%0.25643%0.427SS..Hα-helixtrans-61.8-45.1177.6-65.4167000110.4F115 T116 Q117 N118 V122 L123 E124F115-I120 HydrophobicContact CB-CD1 4.23Å; F115-I120 HydrophobicContact CB-CG1 3.79Å; T116-I120 WeakPolarHBondContact O-CG1 3.49Å; T116-I120 PolarHBondContact O-N 3.38Å; Q117-I120 WeakPolarHBondContact O-CB 3.3Å; Q117-I120 PolarHBondContact O-N 2.93Å; Q117-I120 VanDerWaalsContact O-N 3.13Å; N118-I120 VanDerWaalsContact C-N 3.35Å; N118-I120 PolarHBondContact O-N 3.11Å; I120-V122 PolarHBondContact O-N 3.4Å; I120-L123 PolarHBondContact O-N 3.13Å; I120-E124 HydrophobicContact CG2-CG 4.1Å; I120-E124 WeakPolarHBondContact O-CB 3.31Å; I120-E124 WeakPolarHBondContact O-CG 3.5Å; I120-E124 PolarHBondContact O-N 3.11Å
121E98.2Very high95.7Very high100 Ų10079.5 Ų79.547%0.46741%0.413SS..Hα-helixtrans-60.4-44.7-178.7-74.8170.7-166.800112.7Q117 N118 E124 N125Q117-E121 WeakPolarHBondContact CG-OE1 3.35Å; Q117-E121 PolarHBondContact NE2-OE1 3.5Å; Q117-E121 WeakPolarHBondContact O-CG 3.43Å; Q117-E121 PolarHBondContact O-N 3.39Å; N118-E121 PolarHBondContact O-N 3.22Å; E121-E124 PolarHBondContact O-N 3.4Å; E121-N125 WeakPolarHBondContact O-CB 3.33Å; E121-N125 PolarHBondContact O-N 3.42Å
122V98.1Very high96.5Very high50 Ų5082.4 Ų82.430%0.30341%0.412SS..Hα-helixtrans-61.8-45.5175.51750000110.8N118 I120 E124 N125 V126 L141 L145N118-V122 WeakPolarHBondContact O-CG2 3.28Å; N118-V122 PolarHBondContact O-N 2.65Å; I120-V122 PolarHBondContact O-N 3.4Å; V122-E124 PolarHBondContact O-N 2.95Å; V122-N125 PolarHBondContact O-N 3Å; V122-V126 PolarHBondContact O-N 3.42Å; V122-V126 VanDerWaalsContact O-N 3.1Å; V122-L141 HydrophobicContact CG1-CD2 3.88Å; V122-L145 HydrophobicContact CB-CD2 4.06Å; V122-L145 HydrophobicContact CG1-CD1 4.35Å; V122-L145 HydrophobicContact CG1-CD2 4.09Å; V122-L145 HydrophobicContact CG2-CD2 4.2Å
123L98.3Very high97.1Very high0 Ų070.9 Ų70.90%037%0.369CS..Hα-helixtrans-63.5-40.5178.7-68.7168.2000112.1Q119 I120 V126 F127 L141 L145 I152 W155 F156Q119-L123 WeakPolarHBondContact O-CB 3.36Å; Q119-L123 WeakPolarHBondContact O-CD1 3.46Å; Q119-L123 WeakPolarHBondContact O-CG 3.28Å; Q119-L123 PolarHBondContact O-N 3.18Å; Q119-L123 VanDerWaalsContact O-N 3.11Å; I120-L123 PolarHBondContact O-N 3.13Å; L123-V126 PolarHBondContact O-N 2.97Å; L123-F127 WeakPolarHBondContact O-CB 3.49Å; L123-F127 PolarHBondContact O-N 3.04Å; L123-L141 HydrophobicContact CD2-CD1 4.22Å; L123-L145 HydrophobicContact CD1-CD1 4.29Å; L123-L145 HydrophobicContact CD2-CD1 3.88Å; L123-L145 HydrophobicContact CG-CD1 3.81Å; L123-I152 HydrophobicContact CD2-CD1 4.05Å; L123-I152 HydrophobicContact CD2-CG2 4.08Å; L123-W155 HydrophobicContact CB-CD2 4.05Å; L123-W155 HydrophobicContact CB-CE3 3.92Å; L123-W155 HydrophobicContact CB-CH2 3.56Å; L123-W155 HydrophobicContact CB-CZ2 3.65Å; L123-W155 HydrophobicContact CB-CZ3 3.69Å; L123-W155 HydrophobicContact CD1-CD2 3.84Å; L123-W155 HydrophobicContact CD1-CE3 4.36Å; L123-W155 HydrophobicContact CD1-CG 3.92Å; L123-W155 HydrophobicContact CD1-CZ2 4.49Å; L123-W155 HydrophobicContact CD2-CE3 4.46Å; L123-W155 HydrophobicContact CG-CD2 4.42Å; L123-W155 HydrophobicContact CG-CE3 4.48Å; L123-F156 HydrophobicContact CD2-CE2 3.81Å; L123-F156 HydrophobicContact CD2-CZ 4.48Å
124E98.3Very high97.5Very high64 Ų6470.7 Ų70.730%0.29938%0.375SS..Hα-helixtrans-67-36.9175.1-71.6-151.1136.900112.3I120 E121 V122 F127 R128 W155 R159I120-E124 HydrophobicContact CG2-CG 4.1Å; I120-E124 WeakPolarHBondContact O-CB 3.31Å; I120-E124 WeakPolarHBondContact O-CG 3.5Å; I120-E124 PolarHBondContact O-N 3.11Å; E121-E124 PolarHBondContact O-N 3.4Å; V122-E124 PolarHBondContact O-N 2.95Å; E124-F127 WeakPolarHBondContact O-CB 3.42Å; E124-F127 PolarHBondContact O-N 3.2Å; E124-R128 WeakPolarHBondContact O-CG 3.35Å; E124-R128 PolarHBondContact O-N 2.79Å; E124-W155 HydrophobicContact CG-CH2 3.9Å; E124-W155 HydrophobicContact CG-CZ2 3.92Å; E124-R159 IonicContact OE1-CZ 3.88Å; E124-R159 IonicContact OE1-NE 3.24Å; E124-R159 PolarHBondContact OE1-NE 3.34Å; E124-R159 VanDerWaalsContact OE1-NE 3.16Å; E124-R159 IonicContact OE1-NH2 2.88Å; E124-R159 PolarHBondContact OE1-NH2 2.95Å
125N97.9Very high97.7Very high87 Ų8769.9 Ų69.947%0.46536%0.357SS..Hα-helixtrans-61.9-44.8175.7-167.657.2000111.8E121 V122 F127 R128E121-N125 WeakPolarHBondContact O-CB 3.33Å; E121-N125 PolarHBondContact O-N 3.42Å; V122-N125 PolarHBondContact O-N 3Å; N125-F127 VanDerWaalsContact C-N 3.35Å; N125-R128 PolarHBondContact O-N 3.27Å; N125-R128 PolarHBondContact OD1-NH2 3.3Å
126V97.8Very high97.8Very high34 Ų3473.1 Ų73.121%0.20638%0.377CS..Hα-helixtrans-65.2-41174.2176.80000111.1V122 L123 R128 V129 N130 I137 L141 F156V122-V126 PolarHBondContact O-N 3.42Å; V122-V126 VanDerWaalsContact O-N 3.1Å; L123-V126 PolarHBondContact O-N 2.97Å; V126-R128 VanDerWaalsContact C-N 3.28Å; V126-R128 PolarHBondContact O-N 3.14Å; V126-V129 PolarHBondContact O-N 3.4Å; V126-N130 PolarHBondContact O-N 2.9Å; V126-I137 HydrophobicContact CG1-CG2 4.25Å; V126-L141 HydrophobicContact CB-CD1 4.42Å; V126-L141 HydrophobicContact CG1-CD1 4.22Å; V126-L141 HydrophobicContact CG2-CD1 4.23Å; V126-L141 HydrophobicContact CG2-CD2 4.03Å; V126-F156 HydrophobicContact CB-CZ 4.23Å; V126-F156 HydrophobicContact CG1-CE1 4.47Å; V126-F156 HydrophobicContact CG1-CZ 3.98Å
127F98.1Very high97.8Very high17 Ų1772.8 Ų72.88%0.07537%0.371CS..Hα-helixtrans-59.5-36.4179.4-172.8-93.4000113.3L123 E124 N125 V129 N130 C131 W155 F156 R159 R160 L163L123-F127 WeakPolarHBondContact O-CB 3.49Å; L123-F127 PolarHBondContact O-N 3.04Å; E124-F127 WeakPolarHBondContact O-CB 3.42Å; E124-F127 PolarHBondContact O-N 3.2Å; N125-F127 VanDerWaalsContact C-N 3.35Å; F127-V129 VanDerWaalsContact C-N 3.26Å; F127-V129 PolarHBondContact O-N 3.04Å; F127-N130 CarbonylContact O-C 3.59Å; F127-C131 HydrophobicContact CD2-CB 4.41Å; F127-C131 VanDerWaalsContact CE1-SG 3.59Å; F127-C131 HydrophobicContact CE2-CB 3.91Å; F127-C131 HydrophobicContact CZ-CB 4.07Å; F127-C131 WeakPolarHBondContact CZ-SG 3.5Å; F127-C131 PolarHBondContact O-SG 3.38Å; F127-C131 VanDerWaalsContact O-SG 3.37Å; F127-W155 HydrophobicContact CB-CH2 4.39Å; F127-W155 HydrophobicContact CB-CZ3 4.27Å; F127-W155 HydrophobicContact CD2-CZ3 4.38Å; F127-F156 HydrophobicContact CB-CE1 4.01Å; F127-F156 AromaticContact CD2-CD1 3.72Å; F127-F156 HydrophobicContact CD2-CD1 3.72Å; F127-F156 AromaticContact CD2-CE1 3.83Å; F127-F156 HydrophobicContact CD2-CE1 3.83Å; F127-F156 HydrophobicContact CE2-CD1 4.44Å; F127-F156 HydrophobicContact CG-CE1 4.44Å; F127-R159 HydrophobicContact CD1-CG 4.13Å; F127-R159 HydrophobicContact CD2-CB 4.25Å; F127-R159 HydrophobicContact CD2-CG 3.79Å; F127-R159 HydrophobicContact CE1-CG 4.04Å; F127-R159 HydrophobicContact CE2-CB 4.02Å; F127-R159 HydrophobicContact CE2-CG 3.7Å; F127-R159 HydrophobicContact CG-CG 4.02Å; F127-R159 HydrophobicContact CZ-CB 4.47Å; F127-R159 HydrophobicContact CZ-CG 3.83Å; F127-R160 HydrophobicContact CE2-CG 3.77Å; F127-R160 HydrophobicContact CZ-CG 4.11Å; F127-L163 HydrophobicContact CE1-CD2 4.47Å; F127-L163 HydrophobicContact CZ-CD2 4.29Å
128R97.4Very high97.8Very high171 Ų17169.1 Ų69.165%0.64535%0.352SS*.Hα-helixtrans-61-34.9175.3-74-173.2-68.7-106.88.1112.6E124 N125 V126E124-R128 WeakPolarHBondContact O-CG 3.35Å; E124-R128 PolarHBondContact O-N 2.79Å; N125-R128 PolarHBondContact O-N 3.27Å; N125-R128 PolarHBondContact OD1-NH2 3.3Å; V126-R128 VanDerWaalsContact C-N 3.28Å; V126-R128 PolarHBondContact O-N 3.14Å
129V97.3Very high97.9Very high129 Ų12968.7 Ų68.778%0.78235%0.347SS*.Hα-helixtrans-85.5-44.5179.7-177.30000111V126 F127V126-V129 PolarHBondContact O-N 3.4Å; F127-V129 VanDerWaalsContact C-N 3.26Å; F127-V129 PolarHBondContact O-N 3.04Å
130N96.4Very high97.9Very high56 Ų5669.8 Ų69.830%0.29935%0.354SS..  trans-143.2111.2-179-176.33.4000111.9V126 F127 Y132V126-N130 PolarHBondContact O-N 2.9Å; F127-N130 CarbonylContact O-C 3.59Å; N130-Y132 VanDerWaalsContact C-N 3.27Å; N130-Y132 PolarHBondContact ND2-O 3.09Å; N130-Y132 PolarHBondContact O-N 3.2Å; N130-Y132 WeakPolarHBondContact OD1-CA 3.23Å; N130-Y132 PolarHBondContact OD1-N 3.44Å; N130-Y132 PolarHBondContact OD1-O 2.92Å
131C97.1Very high97.9Very high43 Ų4367.8 Ų67.829%0.29134%0.343SS..SBendtrans-73.3-14.4176.7-69.80000114.3F127 R160F127-C131 HydrophobicContact CD2-CB 4.41Å; F127-C131 VanDerWaalsContact CE1-SG 3.59Å; F127-C131 HydrophobicContact CE2-CB 3.91Å; F127-C131 HydrophobicContact CZ-CB 4.07Å; F127-C131 WeakPolarHBondContact CZ-SG 3.5Å; F127-C131 PolarHBondContact O-SG 3.38Å; F127-C131 VanDerWaalsContact O-SG 3.37Å; C131-R160 WeakPolarHBondContact O-CD 3.43Å; C131-R160 PolarHBondContact O-NH1 3.21Å
132Y98.1Very high97.9Very high164 Ų16463.5 Ų63.564%0.64333%0.325SS*.SBendtrans-130.268.9-178.9-63.2-90.9000110.4N130 G134N130-Y132 VanDerWaalsContact C-N 3.27Å; N130-Y132 PolarHBondContact ND2-O 3.09Å; N130-Y132 PolarHBondContact O-N 3.2Å; N130-Y132 WeakPolarHBondContact OD1-CA 3.23Å; N130-Y132 PolarHBondContact OD1-N 3.44Å; N130-Y132 PolarHBondContact OD1-O 2.92Å; Y132-G134 PolarHBondContact O-N 3.46Å
133P97.3Very high97.9Very high4 Ų469.5 Ų69.53%0.02634%0.343CS..  trans-62.9134.2177.328.1-35.9000110.9I137 R138 F156P133-I137 HydrophobicContact CB-CB 4.06Å; P133-I137 HydrophobicContact CB-CG2 3.85Å; P133-R138 HydrophobicContact CB-CG 4Å; P133-R138 HydrophobicContact CG-CG 3.89Å; P133-R138 PolarHBondContact O-NH1 2.81Å; P133-F156 VanDerWaalsContact CD-CD1 3.43Å; P133-F156 HydrophobicContact CG-CD1 3.57Å; P133-F156 HydrophobicContact CG-CD2 3.86Å; P133-F156 HydrophobicContact CG-CE1 3.57Å; P133-F156 HydrophobicContact CG-CE2 3.87Å; P133-F156 HydrophobicContact CG-CG 3.75Å; P133-F156 HydrophobicContact CG-CZ 3.74Å
134G98.1Very high97.8Very high36 Ų3675.9 Ų75.937%0.37137%0.37SS..  trans-68.3174.7171.600000112.3Y132 D136 I137 R138Y132-G134 PolarHBondContact O-N 3.46Å; G134-D136 PolarHBondContact O-N 2.89Å; G134-I137 PolarHBondContact O-N 3.48Å; G134-R138 WeakPolarHBondContact O-CG 3.48Å; G134-R138 PolarHBondContact O-N 3.37Å
135I97.9Very high97.8Very high75 Ų7573.4 Ų73.439%0.38536%0.359SS..Hα-helixtrans-58.3-46.1-175.7-174.259.6000112.2I137 R138 E139 E149I135-I137 VanDerWaalsContact C-N 3.32Å; I135-I137 PolarHBondContact O-N 3.1Å; I135-R138 PolarHBondContact O-N 3.24Å; I135-E139 HydrophobicContact CD1-CG 4.15Å; I135-E139 HydrophobicContact CG1-CG 4.28Å; I135-E139 WeakPolarHBondContact O-CG 3.32Å; I135-E139 PolarHBondContact O-N 3.2Å; I135-E149 HydrophobicContact CD1-CG 3.95Å; I135-E149 WeakPolarHBondContact CD1-OE1 3.36Å
136D98.1Very high97.7Very high121 Ų12176.3 Ų76.365%0.64738%0.375SS*.Hα-helixtrans-59.8-41.1-176.6-47.3-49.1000112.6G134 R138 E139 D140G134-D136 PolarHBondContact O-N 2.89Å; D136-R138 VanDerWaalsContact C-N 3.34Å; D136-E139 PolarHBondContact O-N 2.92Å; D136-D140 WeakPolarHBondContact O-CB 3.49Å; D136-D140 PolarHBondContact O-N 3.39Å
137I97.9Very high97.7Very high73 Ų7376.1 Ų76.137%0.37437%0.372SS..Hα-helixtrans-67.6-39.2178.1-60.8175.3000110.2V126 P133 G134 I135 L141V126-I137 HydrophobicContact CG1-CG2 4.25Å; P133-I137 HydrophobicContact CB-CB 4.06Å; P133-I137 HydrophobicContact CB-CG2 3.85Å; G134-I137 PolarHBondContact O-N 3.48Å; I135-I137 VanDerWaalsContact C-N 3.32Å; I135-I137 PolarHBondContact O-N 3.1Å; I137-L141 HydrophobicContact CG2-CD1 4.25Å; I137-L141 WeakPolarHBondContact O-CB 3.18Å; I137-L141 WeakPolarHBondContact O-CG 3.49Å; I137-L141 PolarHBondContact O-N 3.05Å
138R98.4Very high97.6Very high45 Ų4580.6 Ų80.617%0.1739%0.393CS..Hα-helixtrans-70.1-37.2179.1-64.8-170.1-48.9-1117.1111.5P133 G134 I135 D136 L141 A142 E149 I152P133-R138 HydrophobicContact CB-CG 4Å; P133-R138 HydrophobicContact CG-CG 3.89Å; P133-R138 PolarHBondContact O-NH1 2.81Å; G134-R138 WeakPolarHBondContact O-CG 3.48Å; G134-R138 PolarHBondContact O-N 3.37Å; I135-R138 PolarHBondContact O-N 3.24Å; D136-R138 VanDerWaalsContact C-N 3.34Å; R138-L141 PolarHBondContact O-N 3.3Å; R138-A142 VanDerWaalsContact O-CB 3.28Å; R138-A142 WeakPolarHBondContact O-CB 3.43Å; R138-A142 PolarHBondContact O-N 3.23Å; R138-E149 HydrophobicContact CB-CG 3.98Å; R138-E149 IonicContact CZ-OE1 2.97Å; R138-E149 VanDerWaalsContact CZ-OE1 3.24Å; R138-E149 IonicContact NE-OE1 3.16Å; R138-E149 PolarHBondContact NE-OE1 3.01Å; R138-E149 IonicContact NH2-OE1 3.5Å; R138-E149 PolarHBondContact NH2-OE1 3.23Å; R138-I152 HydrophobicContact CB-CG2 4.12Å; R138-I152 HydrophobicContact CG-CG2 4.07Å
139E98.5Very high97.6Very high94 Ų9474.5 Ų74.544%0.43937%0.372SS..Hα-helixtrans-67.3-39.1174.2-71.1-176.6169.200112.6I135 D136 A142 R143 E149I135-E139 HydrophobicContact CD1-CG 4.15Å; I135-E139 HydrophobicContact CG1-CG 4.28Å; I135-E139 WeakPolarHBondContact O-CG 3.32Å; I135-E139 PolarHBondContact O-N 3.2Å; D136-E139 PolarHBondContact O-N 2.92Å; E139-A142 WeakPolarHBondContact O-CB 3.43Å; E139-A142 PolarHBondContact O-N 3.24Å; E139-R143 WeakPolarHBondContact O-CG 3.39Å; E139-R143 PolarHBondContact O-N 2.81Å; E139-E149 HydrophobicContact CG-CG 4.17Å
140D98.2Very high97.6Very high53 Ų5369.7 Ų69.728%0.28334%0.342SS..Hα-helixtrans-62.4-43.9172.5-177.256.5000111.8D136 R143 K144D136-D140 WeakPolarHBondContact O-CB 3.49Å; D136-D140 PolarHBondContact O-N 3.39Å; D140-R143 PolarHBondContact O-N 3.04Å; D140-R143 IonicContact OD1-NH2 3.81Å; D140-K144 WeakPolarHBondContact O-CB 3.32Å; D140-K144 VanDerWaalsContact O-CG 3.3Å; D140-K144 WeakPolarHBondContact O-CG 3.32Å; D140-K144 PolarHBondContact O-N 2.82Å; D140-K144 WeakPolarHBondContact OD1-CE 3.45Å; D140-K144 IonicContact OD1-NZ 3.47Å; D140-K144 WeakPolarHBondContact OD2-CE 3.4Å; D140-K144 IonicContact OD2-NZ 2.68Å; D140-K144 PolarHBondContact OD2-NZ 3.23Å
141L98.1Very high97.6Very high7 Ų768.9 Ų68.94%0.03734%0.335CS..Hα-helixtrans-64-41.2174.2-75.1170.8000112.9V122 L123 V126 I137 R138 R143 K144 L145 I152 F156V122-L141 HydrophobicContact CG1-CD2 3.88Å; L123-L141 HydrophobicContact CD2-CD1 4.22Å; V126-L141 HydrophobicContact CB-CD1 4.42Å; V126-L141 HydrophobicContact CG1-CD1 4.22Å; V126-L141 HydrophobicContact CG2-CD1 4.23Å; V126-L141 HydrophobicContact CG2-CD2 4.03Å; I137-L141 HydrophobicContact CG2-CD1 4.25Å; I137-L141 WeakPolarHBondContact O-CB 3.18Å; I137-L141 WeakPolarHBondContact O-CG 3.49Å; I137-L141 PolarHBondContact O-N 3.05Å; R138-L141 PolarHBondContact O-N 3.3Å; L141-R143 VanDerWaalsContact C-N 3.33Å; L141-R143 PolarHBondContact O-N 3.36Å; L141-K144 PolarHBondContact O-N 3.44Å; L141-L145 HydrophobicContact CD2-CD1 4.49Å; L141-L145 VanDerWaalsContact O-CB 3.28Å; L141-L145 WeakPolarHBondContact O-CB 3.36Å; L141-L145 WeakPolarHBondContact O-CG 3.41Å; L141-L145 PolarHBondContact O-N 3.42Å; L141-I152 HydrophobicContact CB-CG2 4.31Å; L141-I152 HydrophobicContact CD1-CG2 4.18Å; L141-F156 HydrophobicContact CD1-CE2 4.08Å; L141-F156 HydrophobicContact CD1-CZ 4.32Å
142A98.2Very high97.7Very high11 Ų1166.8 Ų66.89%0.09132%0.321CS..Hα-helixtrans-56.9-47.9176.800000110.9R138 E139 N146 L147 E149 I152R138-A142 VanDerWaalsContact O-CB 3.28Å; R138-A142 WeakPolarHBondContact O-CB 3.43Å; R138-A142 PolarHBondContact O-N 3.23Å; E139-A142 WeakPolarHBondContact O-CB 3.43Å; E139-A142 PolarHBondContact O-N 3.24Å; A142-N146 WeakPolarHBondContact O-CA 3.49Å; A142-N146 PolarHBondContact O-N 3.27Å; A142-L147 CarbonylContact C-O 3.48Å; A142-L147 WeakPolarHBondContact CA-O 3.42Å; A142-L147 WeakPolarHBondContact CB-O 3.36Å; A142-L147 PolarHBondContact O-N 2.85Å; A142-E149 HydrophobicContact CB-CB 4.32Å; A142-I152 HydrophobicContact CB-CG1 4.25Å
143R98.1Very high97.6Very high176 Ų17661.9 Ų61.966%0.66430%0.304SS*.Hα-helixtrans-63.6-47.3175.2-70.1-177.1-66.81710.5112.2E139 D140 L141 L145 N146E139-R143 WeakPolarHBondContact O-CG 3.39Å; E139-R143 PolarHBondContact O-N 2.81Å; D140-R143 PolarHBondContact O-N 3.04Å; D140-R143 IonicContact OD1-NH2 3.81Å; L141-R143 VanDerWaalsContact C-N 3.33Å; L141-R143 PolarHBondContact O-N 3.36Å; R143-L145 VanDerWaalsContact C-N 3.33Å; R143-L145 PolarHBondContact O-N 3.39Å; R143-N146 PolarHBondContact O-N 2.8Å
144K97.5Very high97.6Very high133 Ų13364.6 Ų64.658%0.57832%0.317SS*.Hα-helixtrans-63.5-36.2-178.9-76172.7176.3171.40113.4D140 L141D140-K144 WeakPolarHBondContact O-CB 3.32Å; D140-K144 VanDerWaalsContact O-CG 3.3Å; D140-K144 WeakPolarHBondContact O-CG 3.32Å; D140-K144 PolarHBondContact O-N 2.82Å; D140-K144 WeakPolarHBondContact OD1-CE 3.45Å; D140-K144 IonicContact OD1-NZ 3.47Å; D140-K144 WeakPolarHBondContact OD2-CE 3.4Å; D140-K144 IonicContact OD2-NZ 2.68Å; D140-K144 PolarHBondContact OD2-NZ 3.23Å; L141-K144 PolarHBondContact O-N 3.44Å
145L97.1Very high97.6Very high13 Ų1364.1 Ų64.17%0.06830%0.304CS..Hα-helixtrans-98.9-0.9-174.5-60.5-179.5000113.5Q119 V122 L123 L141 R143 L147 I152Q119-L145 HydrophobicContact CG-CB 4.3Å; Q119-L145 HydrophobicContact CG-CD2 4.19Å; Q119-L145 PolarHBondContact NE2-O 2.88Å; V122-L145 HydrophobicContact CB-CD2 4.06Å; V122-L145 HydrophobicContact CG1-CD1 4.35Å; V122-L145 HydrophobicContact CG1-CD2 4.09Å; V122-L145 HydrophobicContact CG2-CD2 4.2Å; L123-L145 HydrophobicContact CD1-CD1 4.29Å; L123-L145 HydrophobicContact CD2-CD1 3.88Å; L123-L145 HydrophobicContact CG-CD1 3.81Å; L141-L145 HydrophobicContact CD2-CD1 4.49Å; L141-L145 VanDerWaalsContact O-CB 3.28Å; L141-L145 WeakPolarHBondContact O-CB 3.36Å; L141-L145 WeakPolarHBondContact O-CG 3.41Å; L141-L145 PolarHBondContact O-N 3.42Å; R143-L145 VanDerWaalsContact C-N 3.33Å; R143-L145 PolarHBondContact O-N 3.39Å; L145-L147 HydrophobicContact CB-CD1 3.8Å; L145-L147 HydrophobicContact CB-CG 4.15Å; L145-L147 HydrophobicContact CD1-CD1 4.35Å; L145-I152 HydrophobicContact CD1-CD1 4.44Å
146N97.2Very high97.6Very high148 Ų14860.7 Ų60.779%0.79129%0.287SS*.THydrogen-bonded Turntrans52.751.5-172.8-63.7-62.4000112.4A142 R143A142-N146 WeakPolarHBondContact O-CA 3.49Å; A142-N146 PolarHBondContact O-N 3.27Å; R143-N146 PolarHBondContact O-N 2.8Å
147L96.4Very high97.6Very high30 Ų3059.3 Ų59.316%0.15728%0.276CS..  trans-127.4157.8179.5-66.3168.7000109.8T113 F115 Q119 A142 L145 I152T113-L147 HydrophobicContact CG2-CD2 4.25Å; F115-L147 HydrophobicContact CD1-CD1 3.77Å; F115-L147 HydrophobicContact CD1-CD2 4.36Å; F115-L147 HydrophobicContact CE1-CD1 3.73Å; F115-L147 HydrophobicContact CE1-CD2 4.25Å; Q119-L147 HydrophobicContact CG-CD1 4.5Å; A142-L147 CarbonylContact C-O 3.48Å; A142-L147 WeakPolarHBondContact CA-O 3.42Å; A142-L147 WeakPolarHBondContact CB-O 3.36Å; A142-L147 PolarHBondContact O-N 2.85Å; L145-L147 HydrophobicContact CB-CD1 3.8Å; L145-L147 HydrophobicContact CB-CG 4.15Å; L145-L147 HydrophobicContact CD1-CD1 4.35Å; L147-I152 HydrophobicContact CB-CD1 3.95Å; L147-I152 HydrophobicContact CD1-CD1 3.69Å; L147-I152 HydrophobicContact CG-CD1 4.49Å
148E96.6Very high97.6Very high110 Ų11060.5 Ų60.551%0.51428%0.283SS..  trans-74142.2169.8-174.8-178.4-168.600110.1D150 R151 I152E148-D150 HydrophobicContact CG-CB 4.23Å; E148-D150 PolarHBondContact O-N 2.91Å; E148-R151 HydrophobicContact CB-CG 4.14Å; E148-R151 WeakPolarHBondContact O-CA 3.36Å; E148-R151 WeakPolarHBondContact O-CB 3.47Å; E148-R151 PolarHBondContact O-N 3.21Å; E148-I152 PolarHBondContact O-N 2.77Å
149E97.5Very high97.6Very high43 Ų4361.4 Ų61.420%0.20129%0.287CS..Hα-helixtrans-53.6-39.2-179.8-175.8-80.1161.900111.9I135 R138 E139 A142 R151 I152 Q153I135-E149 HydrophobicContact CD1-CG 3.95Å; I135-E149 WeakPolarHBondContact CD1-OE1 3.36Å; R138-E149 HydrophobicContact CB-CG 3.98Å; R138-E149 IonicContact CZ-OE1 2.97Å; R138-E149 VanDerWaalsContact CZ-OE1 3.24Å; R138-E149 IonicContact NE-OE1 3.16Å; R138-E149 PolarHBondContact NE-OE1 3.01Å; R138-E149 IonicContact NH2-OE1 3.5Å; R138-E149 PolarHBondContact NH2-OE1 3.23Å; E139-E149 HydrophobicContact CG-CG 4.17Å; A142-E149 HydrophobicContact CB-CB 4.32Å; E149-R151 PolarHBondContact O-N 3.44Å; E149-I152 CarbonylContact O-C 3.51Å; E149-I152 WeakPolarHBondContact O-CA 3.43Å; E149-I152 VanDerWaalsContact O-CB 3.31Å; E149-I152 WeakPolarHBondContact O-CB 3.45Å; E149-I152 PolarHBondContact O-N 3.3Å; E149-Q153 PolarHBondContact O-N 3.44Å
150D96.7Very high97.5Very high29 Ų2959.7 Ų59.716%0.15528%0.276CS..Hα-helixtrans-57.5-35.8176.7-179.468.3000112.1R110 E148 Q153 I154R110-D150 IonicContact CZ-OD2 2.65Å; R110-D150 IonicContact NH1-OD1 3.72Å; R110-D150 PolarHBondContact NH1-OD1 2.86Å; R110-D150 IonicContact NH1-OD2 3.61Å; R110-D150 PolarHBondContact NH1-OD2 3.37Å; E148-D150 HydrophobicContact CG-CB 4.23Å; E148-D150 PolarHBondContact O-N 2.91Å; D150-Q153 PolarHBondContact O-N 2.91Å; D150-I154 WeakPolarHBondContact O-CB 3.47Å; D150-I154 WeakPolarHBondContact O-CD1 3.47Å; D150-I154 VanDerWaalsContact O-CG1 3.23Å; D150-I154 WeakPolarHBondContact O-CG1 3.36Å; D150-I154 PolarHBondContact O-N 3.41Å; D150-I154 VanDerWaalsContact OD2-CD1 3.26Å; D150-I154 WeakPolarHBondContact OD2-CD1 3.45Å
151R97Very high97.5Very high38 Ų3858.4 Ų58.414%0.14327%0.273CS..Hα-helixtrans-69.1-37.2176.8-56.6-55-177.9150.510.5111.5P111 T113 F115 E148 E149 W155P111-R151 PolarHBondContact O-NH1 3.16Å; P111-R151 PolarHBondContact O-NH2 3Å; T113-R151 WeakPolarHBondContact OG1-CD 3.17Å; T113-R151 PolarHBondContact OG1-NE 3.21Å; T113-R151 PolarHBondContact OG1-NH1 2.98Å; T113-R151 VanDerWaalsContact OG1-NH1 3.16Å; F115-R151 HydrophobicContact CE1-CB 4.36Å; F115-R151 HydrophobicContact CZ-CB 4.34Å; E148-R151 HydrophobicContact CB-CG 4.14Å; E148-R151 WeakPolarHBondContact O-CA 3.36Å; E148-R151 WeakPolarHBondContact O-CB 3.47Å; E148-R151 PolarHBondContact O-N 3.21Å; E149-R151 PolarHBondContact O-N 3.44Å; R151-W155 WeakPolarHBondContact O-CB 3.46Å; R151-W155 PolarHBondContact O-N 2.97Å
152I97.9Very high97.4Very high0 Ų064.6 Ų64.60%030%0.3CS..Hα-helixtrans-64.5-49.5173.1-51.5-51.9000109.2L123 R138 L141 A142 L145 L147 E148 E149 I154 W155 F156L123-I152 HydrophobicContact CD2-CD1 4.05Å; L123-I152 HydrophobicContact CD2-CG2 4.08Å; R138-I152 HydrophobicContact CB-CG2 4.12Å; R138-I152 HydrophobicContact CG-CG2 4.07Å; L141-I152 HydrophobicContact CB-CG2 4.31Å; L141-I152 HydrophobicContact CD1-CG2 4.18Å; A142-I152 HydrophobicContact CB-CG1 4.25Å; L145-I152 HydrophobicContact CD1-CD1 4.44Å; L147-I152 HydrophobicContact CB-CD1 3.95Å; L147-I152 HydrophobicContact CD1-CD1 3.69Å; L147-I152 HydrophobicContact CG-CD1 4.49Å; E148-I152 PolarHBondContact O-N 2.77Å; E149-I152 CarbonylContact O-C 3.51Å; E149-I152 WeakPolarHBondContact O-CA 3.43Å; E149-I152 VanDerWaalsContact O-CB 3.31Å; E149-I152 WeakPolarHBondContact O-CB 3.45Å; E149-I152 PolarHBondContact O-N 3.3Å; I152-I154 PolarHBondContact O-N 3.32Å; I152-W155 WeakPolarHBondContact O-CB 3.47Å; I152-W155 PolarHBondContact O-N 2.95Å; I152-W155 VanDerWaalsContact O-N 3.14Å; I152-F156 HydrophobicContact CG2-CD2 3.75Å; I152-F156 HydrophobicContact CG2-CE2 3.69Å; I152-F156 VanDerWaalsContact O-CD2 3.32Å; I152-F156 WeakPolarHBondContact O-CD2 3.44Å; I152-F156 PolarHBondContact O-N 3.26Å
153Q97.8Very high97.1Very high61 Ų6168.6 Ų68.629%0.28532%0.319SS..Hα-helixtrans-54.3-51.9177.4175.3173-73.800112.1E149 D150 W155 F156 Q157E149-Q153 PolarHBondContact O-N 3.44Å; D150-Q153 PolarHBondContact O-N 2.91Å; Q153-W155 VanDerWaalsContact C-N 3.3Å; Q153-W155 PolarHBondContact O-N 3.41Å; Q153-F156 PolarHBondContact O-N 3.46Å; Q153-Q157 WeakPolarHBondContact O-CG 3.38Å; Q153-Q157 PolarHBondContact O-N 2.94Å
154I97.1Very high96.9Very high60 Ų6066.1 Ų66.131%0.30831%0.313SS..Hα-helixtrans-61.6-40179-69165.4000110.8D150 I152 Q157 N158D150-I154 WeakPolarHBondContact O-CB 3.47Å; D150-I154 WeakPolarHBondContact O-CD1 3.47Å; D150-I154 VanDerWaalsContact O-CG1 3.23Å; D150-I154 WeakPolarHBondContact O-CG1 3.36Å; D150-I154 PolarHBondContact O-N 3.41Å; D150-I154 VanDerWaalsContact OD2-CD1 3.26Å; D150-I154 WeakPolarHBondContact OD2-CD1 3.45Å; I152-I154 PolarHBondContact O-N 3.32Å; I154-Q157 PolarHBondContact O-N 3.49Å; I154-N158 WeakPolarHBondContact CG2-ND2 3.5Å; I154-N158 WeakPolarHBondContact O-CB 3.44Å; I154-N158 PolarHBondContact O-N 3.48Å; I154-N158 PolarHBondContact O-ND2 3.42Å
155W97.7Very high96.6Very high27 Ų2767.4 Ų67.410%0.10231%0.314CS..Hα-helixtrans-60.2-48.3176.6-174.3100.1000111.4F115 L123 E124 F127 R151 I152 Q153 Q157 N158 R159F115-W155 AromaticContact CD2-CD1 3.76Å; F115-W155 HydrophobicContact CE2-CB 4.39Å; F115-W155 AromaticContact CE2-CD1 3.56Å; F115-W155 HydrophobicContact CE2-CG 4.37Å; F115-W155 HydrophobicContact CZ-CB 4.22Å; L123-W155 HydrophobicContact CB-CD2 4.05Å; L123-W155 HydrophobicContact CB-CE3 3.92Å; L123-W155 HydrophobicContact CB-CH2 3.56Å; L123-W155 HydrophobicContact CB-CZ2 3.65Å; L123-W155 HydrophobicContact CB-CZ3 3.69Å; L123-W155 HydrophobicContact CD1-CD2 3.84Å; L123-W155 HydrophobicContact CD1-CE3 4.36Å; L123-W155 HydrophobicContact CD1-CG 3.92Å; L123-W155 HydrophobicContact CD1-CZ2 4.49Å; L123-W155 HydrophobicContact CD2-CE3 4.46Å; L123-W155 HydrophobicContact CG-CD2 4.42Å; L123-W155 HydrophobicContact CG-CE3 4.48Å; E124-W155 HydrophobicContact CG-CH2 3.9Å; E124-W155 HydrophobicContact CG-CZ2 3.92Å; F127-W155 HydrophobicContact CB-CH2 4.39Å; F127-W155 HydrophobicContact CB-CZ3 4.27Å; F127-W155 HydrophobicContact CD2-CZ3 4.38Å; R151-W155 WeakPolarHBondContact O-CB 3.46Å; R151-W155 PolarHBondContact O-N 2.97Å; I152-W155 WeakPolarHBondContact O-CB 3.47Å; I152-W155 PolarHBondContact O-N 2.95Å; I152-W155 VanDerWaalsContact O-N 3.14Å; Q153-W155 VanDerWaalsContact C-N 3.3Å; Q153-W155 PolarHBondContact O-N 3.41Å; W155-Q157 VanDerWaalsContact C-N 3.35Å; W155-Q157 PolarHBondContact O-N 3.12Å; W155-N158 PolarHBondContact O-N 3.13Å; W155-R159 HydrophobicContact CE3-CB 4.19Å; W155-R159 HydrophobicContact CH2-CB 4.2Å; W155-R159 HydrophobicContact CH2-CG 3.86Å; W155-R159 HydrophobicContact CZ2-CG 4.44Å; W155-R159 HydrophobicContact CZ3-CB 3.96Å; W155-R159 HydrophobicContact CZ3-CG 4.02Å; W155-R159 WeakPolarHBondContact O-CB 3.45Å; W155-R159 PolarHBondContact O-N 2.87Å
156F98.4Very high96Very high2 Ų270.2 Ų70.21%0.00934%0.335CS..Hα-helixtrans-63.6-39.3178.8-86.7-88.5000112L123 V126 F127 P133 L141 I152 Q153 R159 R160L123-F156 HydrophobicContact CD2-CE2 3.81Å; L123-F156 HydrophobicContact CD2-CZ 4.48Å; V126-F156 HydrophobicContact CB-CZ 4.23Å; V126-F156 HydrophobicContact CG1-CE1 4.47Å; V126-F156 HydrophobicContact CG1-CZ 3.98Å; F127-F156 HydrophobicContact CB-CE1 4.01Å; F127-F156 AromaticContact CD2-CD1 3.72Å; F127-F156 HydrophobicContact CD2-CD1 3.72Å; F127-F156 AromaticContact CD2-CE1 3.83Å; F127-F156 HydrophobicContact CD2-CE1 3.83Å; F127-F156 HydrophobicContact CE2-CD1 4.44Å; F127-F156 HydrophobicContact CG-CE1 4.44Å; P133-F156 VanDerWaalsContact CD-CD1 3.43Å; P133-F156 HydrophobicContact CG-CD1 3.57Å; P133-F156 HydrophobicContact CG-CD2 3.86Å; P133-F156 HydrophobicContact CG-CE1 3.57Å; P133-F156 HydrophobicContact CG-CE2 3.87Å; P133-F156 HydrophobicContact CG-CG 3.75Å; P133-F156 HydrophobicContact CG-CZ 3.74Å; L141-F156 HydrophobicContact CD1-CE2 4.08Å; L141-F156 HydrophobicContact CD1-CZ 4.32Å; I152-F156 HydrophobicContact CG2-CD2 3.75Å; I152-F156 HydrophobicContact CG2-CE2 3.69Å; I152-F156 VanDerWaalsContact O-CD2 3.32Å; I152-F156 WeakPolarHBondContact O-CD2 3.44Å; I152-F156 PolarHBondContact O-N 3.26Å; Q153-F156 PolarHBondContact O-N 3.46Å; F156-R159 PolarHBondContact O-N 3.49Å; F156-R160 WeakPolarHBondContact O-CG 3.44Å; F156-R160 PolarHBondContact O-N 2.93Å
157Q98.1Very high95.1Very high93 Ų9368.7 Ų68.744%0.43532%0.323SS..Hα-helixtrans-61.2-48.1173.5-70.3176.414.600111.8Q153 I154 W155 R159 R160 A161Q153-Q157 WeakPolarHBondContact O-CG 3.38Å; Q153-Q157 PolarHBondContact O-N 2.94Å; I154-Q157 PolarHBondContact O-N 3.49Å; W155-Q157 VanDerWaalsContact C-N 3.35Å; W155-Q157 PolarHBondContact O-N 3.12Å; Q157-R159 VanDerWaalsContact C-N 3.32Å; Q157-R159 PolarHBondContact O-N 3.11Å; Q157-R160 PolarHBondContact O-N 2.84Å; Q157-A161 WeakPolarHBondContact O-CB 3.36Å; Q157-A161 PolarHBondContact O-N 3.36Å
158N97.4Very high94.2Very high97 Ų9775 Ų7552%0.51934%0.344SS..Hα-helixtrans-63.7-38177.8-77.3-29.8000112I154 W155 A161 K162I154-N158 WeakPolarHBondContact CG2-ND2 3.5Å; I154-N158 WeakPolarHBondContact O-CB 3.44Å; I154-N158 PolarHBondContact O-N 3.48Å; I154-N158 PolarHBondContact O-ND2 3.42Å; W155-N158 PolarHBondContact O-N 3.13Å; N158-A161 PolarHBondContact O-N 3.4Å; N158-K162 PolarHBondContact O-N 3.45Å
159R97.9Very high93.2Very high65 Ų6575.7 Ų75.725%0.24535%0.348CS..Hα-helixtrans-63.4-44.7177.6-168.566.6-179.390.6-9.2111.4E124 F127 W155 F156 Q157 K162 L163E124-R159 IonicContact OE1-CZ 3.88Å; E124-R159 IonicContact OE1-NE 3.24Å; E124-R159 PolarHBondContact OE1-NE 3.34Å; E124-R159 VanDerWaalsContact OE1-NE 3.16Å; E124-R159 IonicContact OE1-NH2 2.88Å; E124-R159 PolarHBondContact OE1-NH2 2.95Å; F127-R159 HydrophobicContact CD1-CG 4.13Å; F127-R159 HydrophobicContact CD2-CB 4.25Å; F127-R159 HydrophobicContact CD2-CG 3.79Å; F127-R159 HydrophobicContact CE1-CG 4.04Å; F127-R159 HydrophobicContact CE2-CB 4.02Å; F127-R159 HydrophobicContact CE2-CG 3.7Å; F127-R159 HydrophobicContact CG-CG 4.02Å; F127-R159 HydrophobicContact CZ-CB 4.47Å; F127-R159 HydrophobicContact CZ-CG 3.83Å; W155-R159 HydrophobicContact CE3-CB 4.19Å; W155-R159 HydrophobicContact CH2-CB 4.2Å; W155-R159 HydrophobicContact CH2-CG 3.86Å; W155-R159 HydrophobicContact CZ2-CG 4.44Å; W155-R159 HydrophobicContact CZ3-CB 3.96Å; W155-R159 HydrophobicContact CZ3-CG 4.02Å; W155-R159 WeakPolarHBondContact O-CB 3.45Å; W155-R159 PolarHBondContact O-N 2.87Å; F156-R159 PolarHBondContact O-N 3.49Å; Q157-R159 VanDerWaalsContact C-N 3.32Å; Q157-R159 PolarHBondContact O-N 3.11Å; R159-K162 PolarHBondContact O-N 3.24Å; R159-L163 PolarHBondContact O-N 3.03Å
160R97.8Very high92.2Very high58 Ų5876.7 Ų76.722%0.21936%0.36CS..Hα-helixtrans-65.1-39.1173.4-68.8-167.3-60.4-87.61.1112.3F127 C131 F156 Q157 K162 L163 K164F127-R160 HydrophobicContact CE2-CG 3.77Å; F127-R160 HydrophobicContact CZ-CG 4.11Å; C131-R160 WeakPolarHBondContact O-CD 3.43Å; C131-R160 PolarHBondContact O-NH1 3.21Å; F156-R160 WeakPolarHBondContact O-CG 3.44Å; F156-R160 PolarHBondContact O-N 2.93Å; Q157-R160 PolarHBondContact O-N 2.84Å; R160-K162 VanDerWaalsContact C-N 3.32Å; R160-K162 PolarHBondContact O-N 3.2Å; R160-L163 PolarHBondContact O-N 3.39Å; R160-K164 WeakPolarHBondContact O-CB 3.25Å; R160-K164 PolarHBondContact O-N 3.01Å
161A97Very high91.1Very high26 Ų2680.7 Ų80.722%0.21538%0.377CS..Hα-helixtrans-61.7-41.4175.100000111.7Q157 N158 K164 R165Q157-A161 WeakPolarHBondContact O-CB 3.36Å; Q157-A161 PolarHBondContact O-N 3.36Å; N158-A161 PolarHBondContact O-N 3.4Å; A161-K164 PolarHBondContact O-N 3.35Å; A161-R165 WeakPolarHBondContact O-CG 3.38Å; A161-R165 PolarHBondContact O-N 3.47Å
162K95.3Very high90.2Very high137 Ų13785.4 Ų85.460%0.59640%0.399SS*.Hα-helixtrans-62.7-45.8174.4-171.7177.4-179.7-178.60111.5N158 R159 R160 K164 R165 S166N158-K162 PolarHBondContact O-N 3.45Å; R159-K162 PolarHBondContact O-N 3.24Å; R160-K162 VanDerWaalsContact C-N 3.32Å; R160-K162 PolarHBondContact O-N 3.2Å; K162-K164 VanDerWaalsContact C-N 3.34Å; K162-K164 PolarHBondContact O-N 2.92Å; K162-R165 PolarHBondContact O-N 2.85Å; K162-S166 PolarHBondContact O-N 3.31Å
163L93.3Very high89.2Confident94 Ų9490.3 Ų90.349%0.49243%0.425SS..Hα-helixtrans-57.4-47175.7-179.962.5000111.5F127 R159 R160 R165 S166 H167F127-L163 HydrophobicContact CE1-CD2 4.47Å; F127-L163 HydrophobicContact CZ-CD2 4.29Å; R159-L163 PolarHBondContact O-N 3.03Å; R160-L163 PolarHBondContact O-N 3.39Å; L163-R165 PolarHBondContact O-N 2.84Å; L163-S166 PolarHBondContact O-N 2.83Å; L163-H167 PolarHBondContact O-N 3.19Å; L163-H167 VanDerWaalsContact O-N 3.13Å
164K93.2Very high88Confident124 Ų12493.6 Ų93.654%0.53944%0.442SS..Hα-helixtrans-63-41.6177.6-174.1172.867.4-179.80112.7R160 A161 K162 R168R160-K164 WeakPolarHBondContact O-CB 3.25Å; R160-K164 PolarHBondContact O-N 3.01Å; A161-K164 PolarHBondContact O-N 3.35Å; K162-K164 VanDerWaalsContact C-N 3.34Å; K162-K164 PolarHBondContact O-N 2.92Å; K164-R168 WeakPolarHBondContact O-CG 3.35Å; K164-R168 PolarHBondContact O-N 3.14Å
165R90.8Very high86.8Confident161 Ų16192.6 Ų92.661%0.60844%0.443SS*.Hα-helixtrans-64.3-46176.9-75.3-167.9-151.394.4-0.7111.6A161 K162 L163 H167 R168 E169A161-R165 WeakPolarHBondContact O-CG 3.38Å; A161-R165 PolarHBondContact O-N 3.47Å; K162-R165 PolarHBondContact O-N 2.85Å; L163-R165 PolarHBondContact O-N 2.84Å; R165-H167 VanDerWaalsContact C-N 3.28Å; R165-H167 PolarHBondContact O-N 3.21Å; R165-R168 PolarHBondContact O-N 2.87Å; R165-R168 VanDerWaalsContact O-N 3.11Å; R165-E169 WeakPolarHBondContact O-CB 3.49Å; R165-E169 PolarHBondContact O-N 2.9Å
166S85.2Confident85.2Confident71 Ų7197.2 Ų97.250%0.49746%0.463SS..Hα-helixtrans-57.9-41.3178.7174.60000112K162 L163 R168 E169 S170K162-S166 PolarHBondContact O-N 3.31Å; L163-S166 PolarHBondContact O-N 2.83Å; S166-R168 PolarHBondContact O-N 3.28Å; S166-E169 PolarHBondContact O-N 2.99Å; S166-S170 WeakPolarHBondContact O-CB 3.1Å; S166-S170 PolarHBondContact O-N 3.35Å
167H77.9Confident83.6Confident116 Ų116104.3 Ų104.354%0.53749%0.494SS..Hα-helixtrans-63.1-42.2175.9-172.364.8000112.7L163 R165 Q171L163-H167 PolarHBondContact O-N 3.19Å; L163-H167 VanDerWaalsContact O-N 3.13Å; R165-H167 VanDerWaalsContact C-N 3.28Å; R165-H167 PolarHBondContact O-N 3.21Å; H167-Q171 PolarHBondContact CD2-NE2 2.83Å; H167-Q171 PolarHBondContact NE2-NE2 3.18Å; H167-Q171 WeakPolarHBondContact O-CG 3.33Å; H167-Q171 PolarHBondContact O-N 3.3Å
168R78.3Confident81.9Confident162 Ų162104.6 Ų104.661%0.61150%0.499SS*.Hα-helixtrans-68.5-40.8177.7-69.7177.1-179.8-158.8-4.3112.8K164 R165 S166 Q171 F172K164-R168 WeakPolarHBondContact O-CG 3.35Å; K164-R168 PolarHBondContact O-N 3.14Å; R165-R168 PolarHBondContact O-N 2.87Å; R165-R168 VanDerWaalsContact O-N 3.11Å; S166-R168 PolarHBondContact O-N 3.28Å; R168-Q171 PolarHBondContact O-N 3.47Å; R168-F172 WeakPolarHBondContact O-CB 3.3Å; R168-F172 PolarHBondContact O-N 3.15Å
169E75.4Confident80.1Confident125 Ų125107.5 Ų107.558%0.58451%0.507SS*.Hα-helixtrans-63.7-44.7177.2-178.7172.4-164.300110.5R165 S166 Q171 F172 L173R165-E169 WeakPolarHBondContact O-CB 3.49Å; R165-E169 PolarHBondContact O-N 2.9Å; S166-E169 PolarHBondContact O-N 2.99Å; E169-Q171 PolarHBondContact O-N 2.91Å; E169-F172 PolarHBondContact O-N 3Å; E169-L173 HydrophobicContact CG-CD1 3.74Å; E169-L173 WeakPolarHBondContact O-CD1 3.44Å; E169-L173 PolarHBondContact O-N 3.44Å
170S76.9Confident78.3Confident65 Ų65108.9 Ų108.946%0.45552%0.519SS..Hα-helixtrans-58.7-46.7173.2179.20000112S166 F172 L173 M174S166-S170 WeakPolarHBondContact O-CB 3.1Å; S166-S170 PolarHBondContact O-N 3.35Å; S170-F172 VanDerWaalsContact C-N 3.34Å; S170-F172 PolarHBondContact O-N 3.43Å; S170-L173 PolarHBondContact O-N 2.85Å; S170-M174 WeakPolarHBondContact O-CG 3.49Å; S170-M174 PolarHBondContact O-N 2.89Å
171Q73.7Confident76.4Confident112 Ų112110.2 Ų110.252%0.52353%0.534SS..Hα-helixtrans-60.9-41.8174.9-75.3-170.64000112.5H167 R168 E169 M174 A175H167-Q171 PolarHBondContact CD2-NE2 2.83Å; H167-Q171 PolarHBondContact NE2-NE2 3.18Å; H167-Q171 WeakPolarHBondContact O-CG 3.33Å; H167-Q171 PolarHBondContact O-N 3.3Å; R168-Q171 PolarHBondContact O-N 3.47Å; E169-Q171 PolarHBondContact O-N 2.91Å; Q171-M174 PolarHBondContact O-N 3.44Å; Q171-A175 WeakPolarHBondContact O-CB 3.29Å; Q171-A175 PolarHBondContact O-N 2.9Å
172F76.8Confident74.3Confident137 Ų137114.6 Ų114.660%0.60155%0.554SS**Hα-helixtrans-64.5-44177.9178.6-99.1000111.8R168 E169 S170 M174 A175 K176R168-F172 WeakPolarHBondContact O-CB 3.3Å; R168-F172 PolarHBondContact O-N 3.15Å; E169-F172 PolarHBondContact O-N 3Å; S170-F172 VanDerWaalsContact C-N 3.34Å; S170-F172 PolarHBondContact O-N 3.43Å; F172-M174 VanDerWaalsContact C-N 3.29Å; F172-M174 PolarHBondContact O-N 3.26Å; F172-A175 PolarHBondContact O-N 3.35Å; F172-K176 HydrophobicContact CE1-CD 4.36Å; F172-K176 VanDerWaalsContact O-CB 3.29Å; F172-K176 WeakPolarHBondContact O-CB 3.48Å; F172-K176 PolarHBondContact O-N 3.39Å
173L76.6Confident72.2Confident103 Ų103115.2 Ų115.254%0.53956%0.563SS.*Hα-helixtrans-61-39.9174.9-93.581.4000111.4E169 S170 K176 K177E169-L173 HydrophobicContact CG-CD1 3.74Å; E169-L173 WeakPolarHBondContact O-CD1 3.44Å; E169-L173 PolarHBondContact O-N 3.44Å; S170-L173 PolarHBondContact O-N 2.85Å; L173-K176 PolarHBondContact O-N 3.43Å; L173-K177 WeakPolarHBondContact O-CB 3.4Å; L173-K177 PolarHBondContact O-N 3.38Å
174M74.3Confident70.3Confident130 Ų130118.4 Ų118.464%0.6458%0.58SS**Hα-helixtrans-67.3-45.5176.8-72.4-157.2150.900112.4S170 Q171 F172 K176 K177 N178S170-M174 WeakPolarHBondContact O-CG 3.49Å; S170-M174 PolarHBondContact O-N 2.89Å; Q171-M174 PolarHBondContact O-N 3.44Å; F172-M174 VanDerWaalsContact C-N 3.29Å; F172-M174 PolarHBondContact O-N 3.26Å; M174-K176 VanDerWaalsContact C-N 3.32Å; M174-K176 PolarHBondContact O-N 3.16Å; M174-K177 PolarHBondContact O-N 3.09Å; M174-N178 VanDerWaalsContact O-CG 3.27Å; M174-N178 PolarHBondContact O-N 2.77Å; M174-N178 VanDerWaalsContact O-N 3.09Å; M174-N178 PolarHBondContact O-OD1 3.45Å
175A69.9Low67.8Low40 Ų40123.5 Ų123.533%0.33161%0.605SS.*Hα-helixtrans-59.8-44.2174.300000111.2Q171 F172 K177 N178 F179Q171-A175 WeakPolarHBondContact O-CB 3.29Å; Q171-A175 PolarHBondContact O-N 2.9Å; F172-A175 PolarHBondContact O-N 3.35Å; A175-K177 PolarHBondContact O-N 3.42Å; A175-N178 WeakPolarHBondContact O-CB 3.07Å; A175-N178 PolarHBondContact O-N 3.44Å; A175-N178 VanDerWaalsContact O-N 3.16Å; A175-F179 WeakPolarHBondContact O-CD2 3.47Å; A175-F179 PolarHBondContact O-N 3.3Å
176K65.4Low66.7Low123 Ų123121.6 Ų121.654%0.53561%0.605SS.*Hα-helixtrans-61.4-41.9177.1-174.4175.8177.7178.80111.9F172 L173 M174 N178 F179 N180F172-K176 HydrophobicContact CE1-CD 4.36Å; F172-K176 VanDerWaalsContact O-CB 3.29Å; F172-K176 WeakPolarHBondContact O-CB 3.48Å; F172-K176 PolarHBondContact O-N 3.39Å; L173-K176 PolarHBondContact O-N 3.43Å; M174-K176 VanDerWaalsContact C-N 3.32Å; M174-K176 PolarHBondContact O-N 3.16Å; K176-N178 VanDerWaalsContact C-N 3.28Å; K176-N178 PolarHBondContact O-N 3.27Å; K176-F179 PolarHBondContact O-N 2.74Å; K176-N180 PolarHBondContact O-N 3.26Å; K176-N180 PolarHBondContact O-ND2 3.41Å
177K65.5Low65.7Low152 Ų152124.3 Ų124.366%0.66161%0.611SS**Hα-helixtrans-59.8-41.5176-170176.5179.1-179.10110.9L173 M174 A175 N180 T181L173-K177 WeakPolarHBondContact O-CB 3.4Å; L173-K177 PolarHBondContact O-N 3.38Å; M174-K177 PolarHBondContact O-N 3.09Å; A175-K177 PolarHBondContact O-N 3.42Å; K177-N180 PolarHBondContact O-N 3.17Å; K177-T181 PolarHBondContact O-N 3.02Å
178N61.8Low65.1Low98 Ų98124.7 Ų124.752%0.52462%0.615SS.*Hα-helixtrans-66.9-37.2177.7-61.9-12.1000112.6M174 A175 K176 N180 T181 N182M174-N178 VanDerWaalsContact O-CG 3.27Å; M174-N178 PolarHBondContact O-N 2.77Å; M174-N178 VanDerWaalsContact O-N 3.09Å; M174-N178 PolarHBondContact O-OD1 3.45Å; A175-N178 WeakPolarHBondContact O-CB 3.07Å; A175-N178 PolarHBondContact O-N 3.44Å; A175-N178 VanDerWaalsContact O-N 3.16Å; K176-N178 VanDerWaalsContact C-N 3.28Å; K176-N178 PolarHBondContact O-N 3.27Å; N178-N180 VanDerWaalsContact C-N 3.31Å; N178-N180 PolarHBondContact O-N 3.03Å; N178-T181 PolarHBondContact O-N 3.17Å; N178-T181 PolarHBondContact O-OG1 3.27Å; N178-N182 PolarHBondContact O-N 3.43Å; N178-N182 PolarHBondContact O-ND2 2.93Å
179F59.6Low64.3Low159 Ų159122.5 Ų122.570%0.69762%0.615SS**Hα-helixtrans-66.7-31.2174.7-76.4-71.7000113.3A175 K176A175-F179 WeakPolarHBondContact O-CD2 3.47Å; A175-F179 PolarHBondContact O-N 3.3Å; K176-F179 PolarHBondContact O-N 2.74Å
180N59.4Low63.6Low93 Ų93122.4 Ų122.450%0.49762%0.617SS.*Hα-helixtrans-76.1-28.4179-76.6-89.1000112.7K176 K177 N178K176-N180 PolarHBondContact O-N 3.26Å; K176-N180 PolarHBondContact O-ND2 3.41Å; K177-N180 PolarHBondContact O-N 3.17Å; N178-N180 VanDerWaalsContact C-N 3.31Å; N178-N180 PolarHBondContact O-N 3.03Å
181T59Low62.7Low86 Ų86126.2 Ų126.253%0.52863%0.628SS.*Hα-helixtrans-75.8-25.6176.554.80000113K177 N178K177-T181 PolarHBondContact O-N 3.02Å; N178-T181 PolarHBondContact O-N 3.17Å; N178-T181 PolarHBondContact O-OG1 3.27Å
182N52.1Low61.9Low118 Ų118127.2 Ų127.263%0.63164%0.635SS**THydrogen-bonded Turntrans-88.71178.1-70.5-85.1000113.8N178N178-N182 PolarHBondContact O-N 3.43Å; N178-N182 PolarHBondContact O-ND2 2.93Å
183L51.8Low60.8Low151 Ų151126.5 Ų126.579%0.79164%0.638SS**THydrogen-bonded Turntrans-105.72.9175.7-160.276000112
184L52.2Low59.4Low161 Ų161128.4 Ų128.484%0.84365%0.646SS**  trans-121.916.6-176.4-125139.7000112.1
185E42.3Very low58.1Low230 Ų230128.3 Ų128.3100%1.07565%0.647SS**  trans-121.30167.1-164.3172.2-154.600107.9

Retrieved 185 of 185 residues in 191 ms (Link to these results)