A0A087YRN8_POEFO Loading...

SRY-box transcription factor 2

AlphaFold DB , UniProt , Accession A0A087YRN8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 322 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
1M42.5Very low49.1Very low246 Ų246176.7 Ų176.7100%1.21288%0.876SS**  0690-65.4171.4-177.200108.8
2Y40Very low48.7Very low231 Ų231172.4 Ų172.491%0.90687%0.87SS**  trans-87.5119170.2-81.3-87.5000107.6
3N44.7Very low48.5Very low134 Ų134166.2 Ų166.272%0.71786%0.861SS**  trans173.8107.1152.7-102-9000111.2
4M55.3Low48.2Very low196 Ų196163.5 Ų163.597%0.96686%0.86SS**SBendtrans-160.116.4150.9-88.6-122.9-70.200112.6
5M59.6Low47.6Very low187 Ų187165.5 Ų165.592%0.92186%0.863SS**SBendtrans-136.832.6178.740.3-153.8-178.900114
6E51.2Low46.9Very low163 Ų163163.6 Ų163.676%0.76286%0.86SS**  trans-125.899.3164.1-92.1179.8130.900110
7T47.8Very low46.3Very low140 Ų140163.2 Ų163.286%0.85986%0.859SS**SBendtrans-143.2102.1146.524.10000107.3
8E42Very low45.6Very low165 Ų165162 Ų16277%0.77186%0.86SS**  trans66.392151.3-64.9-66.2130.300119.2
9L49.1Very low45.2Very low182 Ų182157.9 Ų157.995%0.95386%0.86SS**  trans-82.9108.2146.1-78.6162.2000109.1
10K58.8Low44.3Very low178 Ų178153.8 Ų153.877%0.77486%0.856SS**  trans-127.3126159.8-171.6130.7179173.90109.3
11P49.1Very low44Very low122 Ų122153.5 Ų153.579%0.79286%0.859SS**PPolyproline II helixtrans-87.4134.5179.933.2-30.5000110.7
12P44.8Very low43.5Very low125 Ų125145.2 Ų145.281%0.81284%0.836SS**PPolyproline II helixtrans-91.3137.4157.831.8-26.6000110.6
13A45Very low43.5Very low91 Ų91140.7 Ų140.775%0.75283%0.828SS**PPolyproline II helixtrans-62168.417300000112.1
14P44.9Very low43.3Very low129 Ų129139.9 Ų139.984%0.83883%0.827SS**PPolyproline II helixtrans-79.4130.6-159.432.9-31.3000111.5
15Q38.8Very low42.4Very low194 Ų194137.6 Ų137.691%0.90782%0.819SS**  trans-122.1137.3159.5-70.5-150.8-6.300111.1
16T36.3Very low41.5Very low134 Ų134134.4 Ų134.482%0.82281%0.81SS**  trans-66131.1-172.846.50000113
17N38Very low41.2Very low157 Ų157133 Ų13384%0.8482%0.816SS**  trans37.3109.5134.4-136.315.9000118.9
18T32Very low40.8Very low142 Ų142129.4 Ų129.487%0.87181%0.806SS**  -165131.6129.841.40000109.8
19G38Very low40.6Very low84 Ų84129.4 Ų129.487%0.86681%0.811SS**  trans-65.7150-178.800000114.2
20G28.5Very low40.1Very low76 Ų76123.1 Ų123.178%0.78479%0.79SS**  trans-164.1108.617600000110.7
21T37.7Very low39.2Very low148 Ų148121.6 Ų121.691%0.90880%0.799SS**  trans-54.7125.3-173.8-29.20000113N23T21-N23 PolarHBondContact O-N 3.39Å
22G32.3Very low38.9Very low72 Ų72122.7 Ų122.774%0.74280%0.798SS**  trans-73.1109.8178.200000112.6T24G22-T24 PolarHBondContact O-N 3.49Å
23N39.3Very low39.1Very low136 Ų136123.9 Ų123.973%0.72779%0.793SS**  trans-70.6111.1176.3-159.5-0.8000110.7T21T21-N23 PolarHBondContact O-N 3.39Å
24T40.8Very low39.1Very low116 Ų116129.2 Ų129.271%0.71280%0.799SS**  trans-109.190.6166.859.30000110.4G22 T26G22-T24 PolarHBondContact O-N 3.49Å; T24-T26 PolarHBondContact O-N 2.73Å; T24-T26 VanDerWaalsContact O-N 3.09Å
25N35.9Very low39Very low148 Ų148130.7 Ų130.779%0.79180%0.8SS**  trans-63.2106.5165.8-82.7-33.4000109.7
26T41.8Very low39.7Very low120 Ų120124.6 Ų124.674%0.73678%0.778SS**  trans-119.3116.7163.8-5.10000106.3T24 G28T24-T26 PolarHBondContact O-N 2.73Å; T24-T26 VanDerWaalsContact O-N 3.09Å; T26-G28 PolarHBondContact O-N 3.2Å
27P45Very low40.8Very low135 Ų135124 Ų12488%0.87778%0.777SS**  trans-81.3115.6177.931.4-28000108
28G39.4Very low43Very low63 Ų63125.4 Ų125.465%0.64978%0.778SS**  trans143.491.7167.600000114T26T26-G28 PolarHBondContact O-N 3.2Å
29N38Very low45.6Very low165 Ų165128.6 Ų128.688%0.88278%0.775SS**  trans-163.3140.4132.3-113.3-70000111.1
30G37.2Very low48.2Very low50 Ų50127 Ų12752%0.51575%0.748SS.*  trans-63.1175-173.700000115.2N32G30-N32 PolarHBondContact O-N 3.11Å
31P41.2Very low51.4Low147 Ų147131.9 Ų131.996%0.95575%0.748SS**SBendtrans-79.340.5-157.532.9-37.6000115.4
32N42.8Very low54.2Low144 Ų144132 Ų13277%0.7773%0.732SS**  trans-142.349.7-174.3-154.31.5000116.3G30G30-N32 PolarHBondContact O-N 3.11Å
33Q48.9Very low57.4Low150 Ų150130.6 Ų130.670%0.70171%0.709SS**  trans-141.540.1174.4-68.3-69.22.500113.4
34K45.3Very low60.1Low203 Ų203127.3 Ų127.388%0.88369%0.69SS**SBendtrans-87.6-7.1179.4-74.1-172.3177.9-177.20115.6
35N42Very low62.9Low161 Ų161126 Ų12686%0.86168%0.679SS**SBendtrans-125.612.9-169.3-67.7-5.5000116.3
36S52.8Low65.8Low65 Ų65119.9 Ų119.946%0.45565%0.649SS.*SBendtrans-98.9132.3168.861.80000109.8E38S36-E38 PolarHBondContact O-N 2.99Å
37P59.8Low68.5Low123 Ų123116.4 Ų116.480%0.79962%0.624SS**  trans-51.4131.8168.623.9-33.2000107.9R39P37-R39 PolarHBondContact O-N 3.35Å
38E83.3Confident71.1Confident185 Ų185113.9 Ų113.986%0.86460%0.601SS**  trans-52.1103.5-170.6-179.1147.1-161.700110.2S36 V40S36-E38 PolarHBondContact O-N 2.99Å; E38-V40 PolarHBondContact O-N 3.19Å
39R87.5Confident73.9Confident209 Ų209112.3 Ų112.379%0.78958%0.579SS**  trans-68.7112.5-176.6176.2-178.1-72149.52.3107.9P37 K41P37-R39 PolarHBondContact O-N 3.35Å; R39-K41 PolarHBondContact O-N 3.35Å; R39-K41 VanDerWaalsContact O-N 3.16Å
40V93.3Very high76.8Confident51 Ų51105.2 Ų105.231%0.30954%0.54SS..PPolyproline II helixtrans-53.5119.7172.5-179.10000110.1E38 H100 H104 Y107E38-V40 PolarHBondContact O-N 3.19Å; V40-H100 WeakPolarHBondContact CG1-CE1 3.29Å; V40-H104 HydrophobicContact CG1-CB 4.42Å; V40-Y107 HydrophobicContact CB-CD2 3.86Å; V40-Y107 HydrophobicContact CB-CE2 4.02Å; V40-Y107 HydrophobicContact CG1-CD2 3.49Å; V40-Y107 VanDerWaalsContact CG1-CD2 3.49Å; V40-Y107 HydrophobicContact CG1-CE2 3.73Å; V40-Y107 HydrophobicContact CG1-CG 4.49Å
41K95.4Very high79.6Confident179 Ų179102.9 Ų102.978%0.77852%0.515SS*.PPolyproline II helixtrans-74.8154.7178-75.7168.4174.6153.70110.2R39 H100R39-K41 PolarHBondContact O-N 3.35Å; R39-K41 VanDerWaalsContact O-N 3.16Å; K41-H100 PolarHBondContact O-CE1 3.23Å; K41-H100 PolarHBondContact O-NE2 2.87Å
42R97.2Very high82.3Confident150 Ų150103.7 Ų103.757%0.56650%0.499SS*.PPolyproline II helixtrans-67.6147.3174.8-61.5174.9-160.8-153.717.8110.5Y107 Y109R42-Y107 WeakPolarHBondContact CG-OH 3.4Å; R42-Y109 VanDerWaalsContact NH1-CE2 3.32Å; R42-Y109 PolarHBondContact NH1-OH 3.48Å; R42-Y109 VanDerWaalsContact NH1-OH 3.14Å; R42-Y109 PolarHBondContact NH2-OH 3.37Å
43P97.6Very high84.9Confident42 Ų4298.3 Ų98.327%0.27348%0.478SS..PPolyproline II helixtrans-64.7149.2167.928.4-33000110.2R97 H100P43-R97 HydrophobicContact CG-CB 4.48Å; P43-H100 HydrophobicContact CB-CB 4.04Å; P43-H100 HydrophobicContact CG-CB 4.2Å
44M97.9Very high87.2Confident68 Ų6894.5 Ų94.534%0.33546%0.46SS..PPolyproline II helixtrans-69.6134.4178.3-68.6-176.3-71.800110.3M48 V49 L96M44-M48 HydrophobicContact CB-CB 4.01Å; M44-M48 HydrophobicContact CG-CB 4.29Å; M44-V49 HydrophobicContact CB-CG2 3.8Å; M44-L96 HydrophobicContact CB-CD1 4.33Å; M44-L96 HydrophobicContact CE-CD1 4.05Å
45N98.4Very high89.7Confident89 Ų8987.9 Ų87.948%0.47643%0.429SS..PPolyproline II helixtrans-78.9171.9169.27026.6000111F47 M48 V49N45-F47 PolarHBondContact O-N 2.97Å; N45-F47 PolarHBondContact OD1-N 3.34Å; N45-M48 PolarHBondContact O-N 3.14Å; N45-M48 WeakPolarHBondContact OD1-CB 3.45Å; N45-M48 VanDerWaalsContact OD1-CG 3.22Å; N45-M48 WeakPolarHBondContact OD1-CG 3.43Å; N45-M48 PolarHBondContact OD1-N 3.02Å; N45-V49 WeakPolarHBondContact O-CG2 3.36Å; N45-V49 PolarHBondContact O-N 3.35Å
46A97.9Very high92.3Very high19 Ų1988.9 Ų88.916%0.15742%0.421CS..Hα-helixtrans-53.7-47.6-176.200000113.3M48 V49 W50 W78 I90 A93A46-M48 VanDerWaalsContact C-N 3.34Å; A46-M48 PolarHBondContact O-N 3.45Å; A46-V49 PolarHBondContact O-N 3.25Å; A46-W50 PolarHBondContact O-N 3.39Å; A46-W78 HydrophobicContact CB-CH2 4.14Å; A46-W78 HydrophobicContact CB-CZ2 4.11Å; A46-I90 HydrophobicContact CB-CB 4.48Å; A46-I90 HydrophobicContact CB-CG1 3.85Å; A46-A93 HydrophobicContact CB-CB 4.12Å; A46-A93 VanDerWaalsContact N-CB 3.29Å
47F98.3Very high94.5Very high47 Ų4791.5 Ų91.521%0.20642%0.424CS..Hα-helixtrans-61.6-40.3176.5171.2-100.5000112.3N45 W50 S51 W78N45-F47 PolarHBondContact O-N 2.97Å; N45-F47 PolarHBondContact OD1-N 3.34Å; F47-W50 AromaticContact CD2-CE3 3.93Å; F47-W50 HydrophobicContact CD2-CE3 3.93Å; F47-W50 HydrophobicContact CD2-CZ3 4.04Å; F47-W50 HydrophobicContact CE2-CE3 4.04Å; F47-W50 AromaticContact CE2-CZ3 3.73Å; F47-W50 HydrophobicContact CE2-CZ3 3.73Å; F47-S51 WeakPolarHBondContact O-CB 3.5Å; F47-S51 PolarHBondContact O-N 2.89Å; F47-S51 PolarHBondContact O-OG 2.9Å; F47-W78 HydrophobicContact CB-CD2 4.46Å; F47-W78 HydrophobicContact CD2-CB 3.77Å; F47-W78 AromaticContact CD2-CD1 3.92Å; F47-W78 AromaticContact CD2-CD2 3.96Å; F47-W78 HydrophobicContact CD2-CD2 3.96Å; F47-W78 AromaticContact CD2-CG 3.58Å; F47-W78 HydrophobicContact CD2-CG 3.58Å; F47-W78 HydrophobicContact CE2-CB 3.94Å; F47-W78 HydrophobicContact CE2-CG 4.25Å
48M98.3Very high96.2Very high82 Ų8287 Ų8740%0.40439%0.393SS..Hα-helixtrans-68.7-34.9178.7-69.9-64.4176.100112M44 N45 A46 S51 R52M44-M48 HydrophobicContact CB-CB 4.01Å; M44-M48 HydrophobicContact CG-CB 4.29Å; N45-M48 PolarHBondContact O-N 3.14Å; N45-M48 WeakPolarHBondContact OD1-CB 3.45Å; N45-M48 VanDerWaalsContact OD1-CG 3.22Å; N45-M48 WeakPolarHBondContact OD1-CG 3.43Å; N45-M48 PolarHBondContact OD1-N 3.02Å; A46-M48 VanDerWaalsContact C-N 3.34Å; A46-M48 PolarHBondContact O-N 3.45Å; M48-S51 PolarHBondContact O-OG 3.49Å; M48-R52 PolarHBondContact O-N 3.26Å
49V98.4Very high96.8Very high29 Ų2980.1 Ų80.118%0.17637%0.368CS..Hα-helixtrans-63.7-53.2173.1176.50000110.1M44 N45 A46 R52 F89 E92 A93 L96M44-V49 HydrophobicContact CB-CG2 3.8Å; N45-V49 WeakPolarHBondContact O-CG2 3.36Å; N45-V49 PolarHBondContact O-N 3.35Å; A46-V49 PolarHBondContact O-N 3.25Å; V49-R52 PolarHBondContact O-N 3.15Å; V49-F89 HydrophobicContact CG1-CD1 4.2Å; V49-E92 HydrophobicContact CG1-CB 4.33Å; V49-E92 HydrophobicContact CG1-CG 3.88Å; V49-A93 HydrophobicContact CG2-CB 4.32Å; V49-L96 HydrophobicContact CG2-CD1 3.76Å
50W98.3Very high97.3Very high17 Ų1777.8 Ų77.86%0.06437%0.366CS..Hα-helixtrans-62.9-49.8179.9169.982.9000112.9A46 F47 R52 G53 Q54 L74 E77 W78 L81 F89A46-W50 PolarHBondContact O-N 3.39Å; F47-W50 AromaticContact CD2-CE3 3.93Å; F47-W50 HydrophobicContact CD2-CE3 3.93Å; F47-W50 HydrophobicContact CD2-CZ3 4.04Å; F47-W50 HydrophobicContact CE2-CE3 4.04Å; F47-W50 AromaticContact CE2-CZ3 3.73Å; F47-W50 HydrophobicContact CE2-CZ3 3.73Å; W50-R52 PolarHBondContact O-N 3.04Å; W50-R52 VanDerWaalsContact O-N 3.11Å; W50-G53 PolarHBondContact O-N 2.93Å; W50-Q54 HydrophobicContact CD2-CG 4.12Å; W50-Q54 HydrophobicContact CH2-CG 4.38Å; W50-Q54 HydrophobicContact CZ2-CG 3.79Å; W50-Q54 PolarHBondContact O-N 3.1Å; W50-L74 HydrophobicContact CH2-CB 4.24Å; W50-L74 HydrophobicContact CH2-CD2 3.96Å; W50-L74 VanDerWaalsContact CH2-O 3.26Å; W50-L74 WeakPolarHBondContact CH2-O 3.19Å; W50-L74 HydrophobicContact CZ3-CB 3.99Å; W50-L74 HydrophobicContact CZ3-CD2 4.27Å; W50-L74 VanDerWaalsContact CZ3-O 3.23Å; W50-L74 WeakPolarHBondContact CZ3-O 3.49Å; W50-E77 HydrophobicContact CH2-CB 3.85Å; W50-E77 HydrophobicContact CZ2-CB 4.24Å; W50-W78 HydrophobicContact CB-CE3 4.04Å; W50-W78 HydrophobicContact CB-CH2 4.4Å; W50-W78 HydrophobicContact CB-CZ3 3.57Å; W50-W78 AromaticContact CD2-CE3 3.44Å; W50-W78 HydrophobicContact CD2-CE3 3.44Å; W50-W78 VanDerWaalsContact CD2-CE3 3.44Å; W50-W78 AromaticContact CD2-CZ3 3.86Å; W50-W78 HydrophobicContact CD2-CZ3 3.86Å; W50-W78 AromaticContact CE2-CE3 3.99Å; W50-W78 HydrophobicContact CE3-CB 4.17Å; W50-W78 HydrophobicContact CE3-CD2 4.2Å; W50-W78 AromaticContact CE3-CE3 3.53Å; W50-W78 HydrophobicContact CE3-CE3 3.53Å; W50-W78 HydrophobicContact CE3-CZ3 4.27Å; W50-W78 AromaticContact CG-CE3 3.68Å; W50-W78 HydrophobicContact CG-CE3 3.68Å; W50-W78 AromaticContact CG-CZ3 3.54Å; W50-W78 HydrophobicContact CG-CZ3 3.54Å; W50-W78 HydrophobicContact CH2-CB 4.01Å; W50-W78 HydrophobicContact CZ3-CB 3.69Å; W50-W78 HydrophobicContact CZ3-CE3 4.18Å; W50-W78 HydrophobicContact CZ3-CG 4.47Å; W50-L81 HydrophobicContact CZ2-CD1 4.09Å; W50-L81 HydrophobicContact CZ2-CD2 4.36Å; W50-F89 HydrophobicContact CB-CB 4.21Å; W50-F89 HydrophobicContact CB-CD1 3.8Å; W50-F89 HydrophobicContact CB-CD2 4.15Å; W50-F89 HydrophobicContact CB-CE1 4.23Å; W50-F89 HydrophobicContact CB-CG 3.77Å; W50-F89 AromaticContact CD1-CD2 3.86Å; W50-F89 AromaticContact CD1-CE2 3.53Å; W50-F89 AromaticContact CD1-CZ 3.62Å; W50-F89 HydrophobicContact CG-CD2 4.34Å; W50-F89 HydrophobicContact CG-CE2 4.39Å; W50-F89 HydrophobicContact CG-CG 4.41Å
51S98Very high97.3Very high0 Ų080.9 Ų80.90%038%0.377CS..Hα-helixtrans-65.7-18.3-175.363.20000113F47 M48 R55F47-S51 WeakPolarHBondContact O-CB 3.5Å; F47-S51 PolarHBondContact O-N 2.89Å; F47-S51 PolarHBondContact O-OG 2.9Å; M48-S51 PolarHBondContact O-OG 3.49Å; S51-R55 WeakPolarHBondContact O-CA 3.43Å; S51-R55 WeakPolarHBondContact O-CB 3.37Å; S51-R55 PolarHBondContact O-N 3.4Å
52R97.5Very high97.2Very high164 Ų16475.3 Ų75.362%0.61936%0.356SS*.Hα-helixtrans-61.6-47.8177.8-164.8178.4-161.1-172.65.1112M48 V49 W50 R56M48-R52 PolarHBondContact O-N 3.26Å; V49-R52 PolarHBondContact O-N 3.15Å; W50-R52 PolarHBondContact O-N 3.04Å; W50-R52 VanDerWaalsContact O-N 3.11Å; R52-R56 PolarHBondContact O-N 3.25Å
53G96.4Very high97Very high31 Ų3173.5 Ų73.532%0.3236%0.364SS..Hα-helixtrans-69.9-46.7177.300000111.7W50 R55 R56 K57W50-G53 PolarHBondContact O-N 2.93Å; G53-R55 PolarHBondContact O-N 3.07Å; G53-R56 PolarHBondContact O-N 3.44Å; G53-K57 PolarHBondContact O-N 3.41Å; G53-K57 VanDerWaalsContact O-N 3.07Å
54Q97.6Very high96.9Very high70 Ų7081.5 Ų81.533%0.32739%0.394SS..Hα-helixtrans-66.2-40.3-177.2-59.2-55.4-33.300112.8W50 R56 K57 M58 L74W50-Q54 HydrophobicContact CD2-CG 4.12Å; W50-Q54 HydrophobicContact CH2-CG 4.38Å; W50-Q54 HydrophobicContact CZ2-CG 3.79Å; W50-Q54 PolarHBondContact O-N 3.1Å; Q54-R56 VanDerWaalsContact C-N 3.31Å; Q54-R56 PolarHBondContact O-N 3.49Å; Q54-K57 PolarHBondContact O-N 3.35Å; Q54-M58 WeakPolarHBondContact O-CG 2.86Å; Q54-M58 PolarHBondContact O-N 3.5Å; Q54-L74 HydrophobicContact CB-CD1 4.44Å; Q54-L74 HydrophobicContact CB-CD2 3.41Å; Q54-L74 VanDerWaalsContact CB-CD2 3.41Å; Q54-L74 HydrophobicContact CG-CD2 4.45Å
55R97.7Very high96.7Very high64 Ų6480 Ų8024%0.24239%0.387CS..Hα-helixtrans-59.9-41.9174.9-178.7-174.4-73.2126.95.8111.7S51 G53 A59 N67 I70 L74S51-R55 WeakPolarHBondContact O-CA 3.43Å; S51-R55 WeakPolarHBondContact O-CB 3.37Å; S51-R55 PolarHBondContact O-N 3.4Å; G53-R55 PolarHBondContact O-N 3.07Å; R55-A59 VanDerWaalsContact O-CB 3.26Å; R55-A59 WeakPolarHBondContact O-CB 3.48Å; R55-A59 PolarHBondContact O-N 3.36Å; R55-N67 WeakPolarHBondContact CD-ND2 3.44Å; R55-I70 HydrophobicContact CB-CG2 4.38Å; R55-I70 HydrophobicContact CG-CG2 4.01Å; R55-L74 HydrophobicContact CB-CD1 3.67Å; R55-L74 HydrophobicContact CG-CD1 4.46Å
56R97.6Very high96.6Very high183 Ų18382.4 Ų82.469%0.69140%0.395SS*.Hα-helixtrans-63.9-45.6177.5-179.1171.959.4-160.6-0.2110.9R52 G53 Q54 A59 Q60R52-R56 PolarHBondContact O-N 3.25Å; G53-R56 PolarHBondContact O-N 3.44Å; Q54-R56 VanDerWaalsContact C-N 3.31Å; Q54-R56 PolarHBondContact O-N 3.49Å; R56-A59 PolarHBondContact O-N 3.09Å; R56-Q60 PolarHBondContact O-N 2.96Å
57K97.3Very high96.5Very high119 Ų11985.3 Ų85.352%0.51741%0.408SS..Hα-helixtrans-57.7-52.5175.6-178.8-179.5171.5-177.20111.5G53 Q54 A59 Q60 E61G53-K57 PolarHBondContact O-N 3.41Å; G53-K57 VanDerWaalsContact O-N 3.07Å; Q54-K57 PolarHBondContact O-N 3.35Å; K57-A59 VanDerWaalsContact C-N 3.32Å; K57-A59 PolarHBondContact O-N 2.99Å; K57-Q60 WeakPolarHBondContact O-CB 3.48Å; K57-Q60 PolarHBondContact O-N 3.19Å; K57-Q60 VanDerWaalsContact O-N 3.15Å; K57-E61 WeakPolarHBondContact CE-OE1 3.26Å; K57-E61 WeakPolarHBondContact CG-OE1 3.33Å; K57-E61 IonicContact NZ-OE1 3.77Å; K57-E61 WeakPolarHBondContact O-CG 3.29Å; K57-E61 PolarHBondContact O-N 3.11Å
58M95.6Very high96.5Very high29 Ų2986 Ų8614%0.14342%0.418CS..Hα-helixtrans-62.8-36.5-179.9-71-171.274.300113.4Q54 Q60 E61 N62 M65 I70 R73 L74Q54-M58 WeakPolarHBondContact O-CG 2.86Å; Q54-M58 PolarHBondContact O-N 3.5Å; M58-Q60 VanDerWaalsContact C-N 3.35Å; M58-E61 PolarHBondContact O-N 3.27Å; M58-N62 WeakPolarHBondContact O-CB 3.42Å; M58-N62 PolarHBondContact O-N 3.39Å; M58-M65 HydrophobicContact CE-SD 4.44Å; M58-I70 HydrophobicContact CB-CG2 3.9Å; M58-I70 HydrophobicContact SD-CG2 3.98Å; M58-R73 HydrophobicContact CE-CB 3.92Å; M58-R73 HydrophobicContact CE-CG 4.47Å; M58-L74 HydrophobicContact CG-CD2 4.48Å; M58-L74 HydrophobicContact SD-CD2 3.48Å; M58-L74 WeakPolarHBondContact SD-CD2 3.43Å; M58-L74 HydrophobicContact SD-CG 3.81Å
59A96.7Very high96.4Very high41 Ų4185 Ų8534%0.33941%0.413SS..Hα-helixtrans-68.6-34.2176.900000112.2R55 R56 K57 N62 P63 I70R55-A59 VanDerWaalsContact O-CB 3.26Å; R55-A59 WeakPolarHBondContact O-CB 3.48Å; R55-A59 PolarHBondContact O-N 3.36Å; R56-A59 PolarHBondContact O-N 3.09Å; K57-A59 VanDerWaalsContact C-N 3.32Å; K57-A59 PolarHBondContact O-N 2.99Å; A59-N62 CarbonylContact O-C 3.35Å; A59-P63 VanDerWaalsContact O-CA 3.29Å; A59-P63 WeakPolarHBondContact O-CA 3.44Å; A59-I70 HydrophobicContact CB-CD1 4.02Å
60Q96.9Very high96.4Very high159 Ų15983.8 Ų83.874%0.74341%0.405SS*.Hα-helixtrans-68.5-43.7174.5-166.283.630.100111.4R56 K57 M58 N62R56-Q60 PolarHBondContact O-N 2.96Å; K57-Q60 WeakPolarHBondContact O-CB 3.48Å; K57-Q60 PolarHBondContact O-N 3.19Å; K57-Q60 VanDerWaalsContact O-N 3.15Å; M58-Q60 VanDerWaalsContact C-N 3.35Å; Q60-N62 VanDerWaalsContact C-N 3.35Å
61E95.1Very high96.4Very high116 Ų11684.7 Ų84.754%0.54241%0.414SS..Hα-helixtrans-70.7-31.8179.3-69.2170.318000112.2K57 M58K57-E61 WeakPolarHBondContact CE-OE1 3.26Å; K57-E61 WeakPolarHBondContact CG-OE1 3.33Å; K57-E61 IonicContact NZ-OE1 3.77Å; K57-E61 WeakPolarHBondContact O-CG 3.29Å; K57-E61 PolarHBondContact O-N 3.11Å; M58-E61 PolarHBondContact O-N 3.27Å
62N91.6Very high96.4Very high63 Ų6391.1 Ų91.134%0.33744%0.442SS..  trans-130.771.8-177.1-60.8-95.4000110.7M58 A59 Q60 K64 M65M58-N62 WeakPolarHBondContact O-CB 3.42Å; M58-N62 PolarHBondContact O-N 3.39Å; A59-N62 CarbonylContact O-C 3.35Å; Q60-N62 VanDerWaalsContact C-N 3.35Å; N62-K64 PolarHBondContact O-N 3.36Å; N62-K64 VanDerWaalsContact O-N 3.1Å; N62-M65 HydrophobicContact CB-CB 3.7Å; N62-M65 HydrophobicContact CB-CE 3.83Å; N62-M65 HydrophobicContact CB-SD 4.47Å; N62-M65 WeakPolarHBondContact O-CB 3.26Å; N62-M65 PolarHBondContact O-N 2.8Å
63P93.3Very high96.4Very high112 Ų11288.9 Ų88.973%0.72743%0.434SS*.THydrogen-bonded Turntrans-64.8-19.4-174.424.6-34.2000113.9A59A59-P63 VanDerWaalsContact O-CA 3.29Å; A59-P63 WeakPolarHBondContact O-CA 3.44Å
64K95.4Very high96.5Very high209 Ų20987.6 Ų87.691%0.90942%0.419SS*.THydrogen-bonded Turntrans-86.7-11.5174.7-63.9-177.4179.6178.40113.4N62N62-K64 PolarHBondContact O-N 3.36Å; N62-K64 VanDerWaalsContact O-N 3.1Å
65M94.8Very high96.5Very high37 Ų3785.3 Ų85.318%0.18242%0.415CS..SBendtrans-78127.2-177.9-171.5-177.9-64.100110.5M58 N62 E69 I70 R73M58-M65 HydrophobicContact CE-SD 4.44Å; N62-M65 HydrophobicContact CB-CB 3.7Å; N62-M65 HydrophobicContact CB-CE 3.83Å; N62-M65 HydrophobicContact CB-SD 4.47Å; N62-M65 WeakPolarHBondContact O-CB 3.26Å; N62-M65 PolarHBondContact O-N 2.8Å; M65-E69 HydrophobicContact CG-CB 4.03Å; M65-E69 HydrophobicContact CG-CG 4.07Å; M65-E69 HydrophobicContact SD-CB 4.49Å; M65-E69 HydrophobicContact SD-CG 4.16Å; M65-I70 HydrophobicContact CB-CD1 4.5Å; M65-I70 HydrophobicContact CB-CG1 4.3Å; M65-I70 HydrophobicContact CG-CG1 3.82Å; M65-I70 HydrophobicContact SD-CG1 3.58Å; M65-I70 VanDerWaalsContact SD-CG1 3.58Å; M65-R73 VanDerWaalsContact CE-NH1 3.34Å
66H96.8Very high96.5Very high139 Ų13984.7 Ų84.764%0.64442%0.423SS*.  trans-71.4148.2179.6-16757.4000112S68 E69 I70H66-S68 PolarHBondContact CD2-OG 3.01Å; H66-S68 VanDerWaalsContact CD2-OG 3.26Å; H66-S68 PolarHBondContact O-N 2.93Å; H66-E69 WeakPolarHBondContact O-CB 3.27Å; H66-E69 PolarHBondContact O-N 2.97Å; H66-I70 PolarHBondContact O-N 2.92Å; H66-I70 VanDerWaalsContact O-N 3.15Å
67N95.3Very high96.5Very high80 Ų8080.8 Ų80.843%0.42841%0.413SS..Hα-helixtrans-61.1-30.7-174.7-169.3-88.4000113.8R55 E69 I70 S71R55-N67 WeakPolarHBondContact CD-ND2 3.44Å; N67-E69 VanDerWaalsContact C-N 3.26Å; N67-E69 PolarHBondContact O-N 3.27Å; N67-I70 PolarHBondContact O-N 3.42Å; N67-S71 WeakPolarHBondContact O-CB 3.47Å; N67-S71 PolarHBondContact O-N 3.09Å; N67-S71 PolarHBondContact O-OG 2.86Å; N67-S71 PolarHBondContact OD1-OG 3.28Å
68S97.2Very high96.6Very high62 Ų6277.1 Ų77.143%0.43440%0.396SS..Hα-helixtrans-61.4-38.3175.568.40000111.4H66 K72H66-S68 PolarHBondContact CD2-OG 3.01Å; H66-S68 VanDerWaalsContact CD2-OG 3.26Å; H66-S68 PolarHBondContact O-N 2.93Å; S68-K72 WeakPolarHBondContact O-CG 2.98Å; S68-K72 PolarHBondContact O-N 3.42Å; S68-K72 VanDerWaalsContact O-N 3.09Å
69E97.6Very high96.7Very high61 Ų6183.8 Ų83.829%0.28542%0.424SS..Hα-helixtrans-74.1-43.2178.6-172.655.7-151.800111.4M65 H66 N67 S71 K72 R73M65-E69 HydrophobicContact CG-CB 4.03Å; M65-E69 HydrophobicContact CG-CG 4.07Å; M65-E69 HydrophobicContact SD-CB 4.49Å; M65-E69 HydrophobicContact SD-CG 4.16Å; H66-E69 WeakPolarHBondContact O-CB 3.27Å; H66-E69 PolarHBondContact O-N 2.97Å; N67-E69 VanDerWaalsContact C-N 3.26Å; N67-E69 PolarHBondContact O-N 3.27Å; E69-S71 VanDerWaalsContact C-N 3.26Å; E69-S71 PolarHBondContact O-N 3.34Å; E69-K72 WeakPolarHBondContact O-CB 3.48Å; E69-K72 PolarHBondContact O-N 3.15Å; E69-K72 WeakPolarHBondContact OE2-CE 3.41Å; E69-K72 IonicContact OE2-NZ 3.41Å; E69-K72 PolarHBondContact OE2-NZ 3.42Å; E69-R73 PolarHBondContact O-N 3.32Å; E69-R73 VanDerWaalsContact O-N 3.08Å; E69-R73 IonicContact OE1-NE 3.95Å; E69-R73 PolarHBondContact OE1-NE 3.35Å; E69-R73 IonicContact OE1-NH2 3.99Å
70I97.4Very high96.7Very high3 Ų388.3 Ų88.32%0.01544%0.442CS..Hα-helixtrans-55.8-45.9172.2-61.6173.3000110R55 M58 A59 M65 H66 N67 K72 R73 L74R55-I70 HydrophobicContact CB-CG2 4.38Å; R55-I70 HydrophobicContact CG-CG2 4.01Å; M58-I70 HydrophobicContact CB-CG2 3.9Å; M58-I70 HydrophobicContact SD-CG2 3.98Å; A59-I70 HydrophobicContact CB-CD1 4.02Å; M65-I70 HydrophobicContact CB-CD1 4.5Å; M65-I70 HydrophobicContact CB-CG1 4.3Å; M65-I70 HydrophobicContact CG-CG1 3.82Å; M65-I70 HydrophobicContact SD-CG1 3.58Å; M65-I70 VanDerWaalsContact SD-CG1 3.58Å; H66-I70 PolarHBondContact O-N 2.92Å; H66-I70 VanDerWaalsContact O-N 3.15Å; N67-I70 PolarHBondContact O-N 3.42Å; I70-K72 VanDerWaalsContact C-N 3.34Å; I70-K72 PolarHBondContact O-N 3.08Å; I70-R73 PolarHBondContact O-N 3.17Å; I70-L74 HydrophobicContact CG2-CD1 3.84Å; I70-L74 HydrophobicContact CG2-CG 4.19Å; I70-L74 WeakPolarHBondContact O-CB 3.33Å; I70-L74 VanDerWaalsContact O-CG 3.27Å; I70-L74 WeakPolarHBondContact O-CG 3.41Å; I70-L74 PolarHBondContact O-N 3.42Å
71S97.9Very high96.8Very high37 Ų3782.1 Ų82.126%0.25941%0.414SS..Hα-helixtrans-65.6-34.9-179.2-630000112.8N67 E69 G75N67-S71 WeakPolarHBondContact O-CB 3.47Å; N67-S71 PolarHBondContact O-N 3.09Å; N67-S71 PolarHBondContact O-OG 2.86Å; N67-S71 PolarHBondContact OD1-OG 3.28Å; E69-S71 VanDerWaalsContact C-N 3.26Å; E69-S71 PolarHBondContact O-N 3.34Å; S71-G75 PolarHBondContact O-N 2.89Å
72K98.3Very high96.9Very high134 Ų13478.7 Ų78.758%0.58340%0.403SS*.Hα-helixtrans-62.2-49.5172.5-74.7-179.4-130.7156.40111.4S68 E69 I70 G75 A76S68-K72 WeakPolarHBondContact O-CG 2.98Å; S68-K72 PolarHBondContact O-N 3.42Å; S68-K72 VanDerWaalsContact O-N 3.09Å; E69-K72 WeakPolarHBondContact O-CB 3.48Å; E69-K72 PolarHBondContact O-N 3.15Å; E69-K72 WeakPolarHBondContact OE2-CE 3.41Å; E69-K72 IonicContact OE2-NZ 3.41Å; E69-K72 PolarHBondContact OE2-NZ 3.42Å; I70-K72 VanDerWaalsContact C-N 3.34Å; I70-K72 PolarHBondContact O-N 3.08Å; K72-G75 PolarHBondContact O-N 2.63Å; K72-A76 PolarHBondContact O-N 2.8Å
73R97.9Very high97.1Very high118 Ų11881.1 Ų81.145%0.44541%0.412SS..Hα-helixtrans-62.2-47-180-66.5-178.4-174-159.12.8111.8M58 M65 E69 I70 G75 A76 E77M58-R73 HydrophobicContact CE-CB 3.92Å; M58-R73 HydrophobicContact CE-CG 4.47Å; M65-R73 VanDerWaalsContact CE-NH1 3.34Å; E69-R73 PolarHBondContact O-N 3.32Å; E69-R73 VanDerWaalsContact O-N 3.08Å; E69-R73 IonicContact OE1-NE 3.95Å; E69-R73 PolarHBondContact OE1-NE 3.35Å; E69-R73 IonicContact OE1-NH2 3.99Å; I70-R73 PolarHBondContact O-N 3.17Å; R73-G75 VanDerWaalsContact C-N 3.25Å; R73-G75 PolarHBondContact O-N 2.75Å; R73-A76 WeakPolarHBondContact O-CB 3.41Å; R73-A76 PolarHBondContact O-N 3.26Å; R73-E77 WeakPolarHBondContact O-CG 3.24Å; R73-E77 PolarHBondContact O-N 2.83Å
74L98.1Very high97.3Very high3 Ų379.6 Ų79.62%0.01640%0.404CS..Hα-helixtrans-59.5-35.9175.3-68.6179.2000112.9W50 Q54 R55 M58 I70 A76 W78W50-L74 HydrophobicContact CH2-CB 4.24Å; W50-L74 HydrophobicContact CH2-CD2 3.96Å; W50-L74 VanDerWaalsContact CH2-O 3.26Å; W50-L74 WeakPolarHBondContact CH2-O 3.19Å; W50-L74 HydrophobicContact CZ3-CB 3.99Å; W50-L74 HydrophobicContact CZ3-CD2 4.27Å; W50-L74 VanDerWaalsContact CZ3-O 3.23Å; W50-L74 WeakPolarHBondContact CZ3-O 3.49Å; Q54-L74 HydrophobicContact CB-CD1 4.44Å; Q54-L74 HydrophobicContact CB-CD2 3.41Å; Q54-L74 VanDerWaalsContact CB-CD2 3.41Å; Q54-L74 HydrophobicContact CG-CD2 4.45Å; R55-L74 HydrophobicContact CB-CD1 3.67Å; R55-L74 HydrophobicContact CG-CD1 4.46Å; M58-L74 HydrophobicContact CG-CD2 4.48Å; M58-L74 HydrophobicContact SD-CD2 3.48Å; M58-L74 WeakPolarHBondContact SD-CD2 3.43Å; M58-L74 HydrophobicContact SD-CG 3.81Å; I70-L74 HydrophobicContact CG2-CD1 3.84Å; I70-L74 HydrophobicContact CG2-CG 4.19Å; I70-L74 WeakPolarHBondContact O-CB 3.33Å; I70-L74 VanDerWaalsContact O-CG 3.27Å; I70-L74 WeakPolarHBondContact O-CG 3.41Å; I70-L74 PolarHBondContact O-N 3.42Å; L74-A76 VanDerWaalsContact C-N 3.3Å; L74-A76 PolarHBondContact O-N 3.11Å; L74-W78 WeakPolarHBondContact O-CB 3.33Å; L74-W78 PolarHBondContact O-N 3.21Å
75G98.2Very high97.4Very high23 Ų2374.6 Ų74.624%0.23738%0.384CS..Hα-helixtrans-64.3-34.3174.600000113.2S71 K72 R73 K79S71-G75 PolarHBondContact O-N 2.89Å; K72-G75 PolarHBondContact O-N 2.63Å; R73-G75 VanDerWaalsContact C-N 3.25Å; R73-G75 PolarHBondContact O-N 2.75Å; G75-K79 WeakPolarHBondContact O-CG 3.48Å
76A98.2Very high97.6Very high50 Ų5074.2 Ų74.241%0.41338%0.381SS..Hα-helixtrans-71.9-50.3174.600000111.2K72 R73 L74 W78 K79 L80K72-A76 PolarHBondContact O-N 2.8Å; R73-A76 WeakPolarHBondContact O-CB 3.41Å; R73-A76 PolarHBondContact O-N 3.26Å; L74-A76 VanDerWaalsContact C-N 3.3Å; L74-A76 PolarHBondContact O-N 3.11Å; A76-W78 VanDerWaalsContact C-N 3.32Å; A76-W78 PolarHBondContact O-N 3Å; A76-K79 WeakPolarHBondContact O-CB 3.43Å; A76-K79 PolarHBondContact O-N 2.81Å; A76-L80 PolarHBondContact O-N 2.71Å
77E97.9Very high97.7Very high101 Ų10175.1 Ų75.147%0.47238%0.379SS..Hα-helixtrans-54.9-46.5176.9-67.8-56.2135.800111.6W50 R73 K79 L80 L81W50-E77 HydrophobicContact CH2-CB 3.85Å; W50-E77 HydrophobicContact CZ2-CB 4.24Å; R73-E77 WeakPolarHBondContact O-CG 3.24Å; R73-E77 PolarHBondContact O-N 2.83Å; E77-K79 PolarHBondContact O-N 3.45Å; E77-K79 VanDerWaalsContact O-N 3.16Å; E77-L80 WeakPolarHBondContact O-CA 3.29Å; E77-L80 WeakPolarHBondContact O-CB 3.47Å; E77-L80 PolarHBondContact O-N 2.99Å; E77-L81 WeakPolarHBondContact O-CD1 3.04Å; E77-L81 PolarHBondContact O-N 3.48Å
78W98.2Very high97.8Very high42 Ų4275 Ų7516%0.15938%0.382CS..Hα-helixtrans-56.8-34.9177.1179.4-104.7000113.3A46 F47 W50 L74 A76 L80 L81 K86 F89A46-W78 HydrophobicContact CB-CH2 4.14Å; A46-W78 HydrophobicContact CB-CZ2 4.11Å; F47-W78 HydrophobicContact CB-CD2 4.46Å; F47-W78 HydrophobicContact CD2-CB 3.77Å; F47-W78 AromaticContact CD2-CD1 3.92Å; F47-W78 AromaticContact CD2-CD2 3.96Å; F47-W78 HydrophobicContact CD2-CD2 3.96Å; F47-W78 AromaticContact CD2-CG 3.58Å; F47-W78 HydrophobicContact CD2-CG 3.58Å; F47-W78 HydrophobicContact CE2-CB 3.94Å; F47-W78 HydrophobicContact CE2-CG 4.25Å; W50-W78 HydrophobicContact CB-CE3 4.04Å; W50-W78 HydrophobicContact CB-CH2 4.4Å; W50-W78 HydrophobicContact CB-CZ3 3.57Å; W50-W78 AromaticContact CD2-CE3 3.44Å; W50-W78 HydrophobicContact CD2-CE3 3.44Å; W50-W78 VanDerWaalsContact CD2-CE3 3.44Å; W50-W78 AromaticContact CD2-CZ3 3.86Å; W50-W78 HydrophobicContact CD2-CZ3 3.86Å; W50-W78 AromaticContact CE2-CE3 3.99Å; W50-W78 HydrophobicContact CE3-CB 4.17Å; W50-W78 HydrophobicContact CE3-CD2 4.2Å; W50-W78 AromaticContact CE3-CE3 3.53Å; W50-W78 HydrophobicContact CE3-CE3 3.53Å; W50-W78 HydrophobicContact CE3-CZ3 4.27Å; W50-W78 AromaticContact CG-CE3 3.68Å; W50-W78 HydrophobicContact CG-CE3 3.68Å; W50-W78 AromaticContact CG-CZ3 3.54Å; W50-W78 HydrophobicContact CG-CZ3 3.54Å; W50-W78 HydrophobicContact CH2-CB 4.01Å; W50-W78 HydrophobicContact CZ3-CB 3.69Å; W50-W78 HydrophobicContact CZ3-CE3 4.18Å; W50-W78 HydrophobicContact CZ3-CG 4.47Å; L74-W78 WeakPolarHBondContact O-CB 3.33Å; L74-W78 PolarHBondContact O-N 3.21Å; A76-W78 VanDerWaalsContact C-N 3.32Å; A76-W78 PolarHBondContact O-N 3Å; W78-L80 VanDerWaalsContact C-N 3.32Å; W78-L81 HydrophobicContact CE3-CD2 4.19Å; W78-L81 HydrophobicContact CZ3-CD2 4.33Å; W78-K86 HydrophobicContact CE3-CG 4.43Å; W78-K86 HydrophobicContact CH2-CB 3.97Å; W78-K86 HydrophobicContact CH2-CD 4.45Å; W78-K86 HydrophobicContact CH2-CG 3.68Å; W78-K86 HydrophobicContact CZ2-CB 4.32Å; W78-K86 HydrophobicContact CZ2-CD 4.15Å; W78-K86 HydrophobicContact CZ2-CG 3.87Å; W78-K86 HydrophobicContact CZ3-CG 3.96Å; W78-K86 WeakPolarHBondContact O-CE 3.29Å; W78-K86 PolarHBondContact O-NZ 3.04Å; W78-F89 HydrophobicContact CH2-CB 4.23Å; W78-F89 HydrophobicContact CZ3-CB 4.48Å; W78-F89 HydrophobicContact CZ3-CD2 4.26Å
79K97.9Very high97.8Very high169 Ų16975 Ų7574%0.73538%0.375SS*.Hα-helixtrans-70.3-33.6177.5-71.1174.8-179.7-176.50111.6G75 A76 E77G75-K79 WeakPolarHBondContact O-CG 3.48Å; A76-K79 WeakPolarHBondContact O-CB 3.43Å; A76-K79 PolarHBondContact O-N 2.81Å; E77-K79 PolarHBondContact O-N 3.45Å; E77-K79 VanDerWaalsContact O-N 3.16Å
80L97.8Very high97.9Very high136 Ų13674.1 Ų74.171%0.71237%0.372SS*.Hα-helixtrans-76.3-25.9179.5-63.7175000113.3A76 E77 W78 S82A76-L80 PolarHBondContact O-N 2.71Å; E77-L80 WeakPolarHBondContact O-CA 3.29Å; E77-L80 WeakPolarHBondContact O-CB 3.47Å; E77-L80 PolarHBondContact O-N 2.99Å; W78-L80 VanDerWaalsContact C-N 3.32Å; L80-S82 PolarHBondContact O-N 3.41Å
81L97.1Very high97.9Very high29 Ų2978 Ų7815%0.15239%0.392CS..SBendtrans-56.7136.7174.9-92.871.7000111.3W50 E77 W78 E85 K86W50-L81 HydrophobicContact CZ2-CD1 4.09Å; W50-L81 HydrophobicContact CZ2-CD2 4.36Å; E77-L81 WeakPolarHBondContact O-CD1 3.04Å; E77-L81 PolarHBondContact O-N 3.48Å; W78-L81 HydrophobicContact CE3-CD2 4.19Å; W78-L81 HydrophobicContact CZ3-CD2 4.33Å; L81-E85 HydrophobicContact CB-CB 4.39Å; L81-E85 HydrophobicContact CD2-CB 4.17Å; L81-E85 HydrophobicContact CG-CB 4.23Å; L81-K86 HydrophobicContact CB-CG 4.08Å; L81-K86 WeakPolarHBondContact O-CE 3.41Å; L81-K86 PolarHBondContact O-NZ 3.26Å
82S98Very high97.9Very high45 Ų4579.4 Ų79.432%0.31540%0.395SS..  trans-67.4159.1172.665.40000111.6L80 S84 E85 K86L80-S82 PolarHBondContact O-N 3.41Å; S82-S84 PolarHBondContact O-N 3.04Å; S82-S84 PolarHBondContact OG-OG 2.95Å; S82-E85 WeakPolarHBondContact CB-OE2 2.81Å; S82-E85 PolarHBondContact N-OE2 2.93Å; S82-E85 PolarHBondContact O-N 3.25Å; S82-E85 VanDerWaalsContact O-N 3.11Å; S82-E85 VanDerWaalsContact OG-CD 3.28Å; S82-E85 VanDerWaalsContact OG-CG 3.24Å; S82-E85 WeakPolarHBondContact OG-CG 3.47Å; S82-E85 PolarHBondContact OG-N 3.16Å; S82-E85 PolarHBondContact OG-OE2 3.01Å; S82-K86 WeakPolarHBondContact O-CG 3.49Å; S82-K86 PolarHBondContact O-N 3.49Å
83E96.8Very high97.9Very high113 Ų11373.6 Ų73.653%0.52837%0.372SS..Hα-helixtrans-61.4-34.9177.5-167.259.8-150.700111.7E85 K86 R87 I90E83-E85 VanDerWaalsContact C-N 3.32Å; E83-E85 PolarHBondContact O-N 3Å; E83-K86 PolarHBondContact O-N 2.94Å; E83-R87 WeakPolarHBondContact O-CG 3.13Å; E83-R87 PolarHBondContact O-N 3.34Å; E83-I90 WeakPolarHBondContact OE1-CD1 3.43Å
84S97.5Very high97.9Very high81 Ų8174 Ų7457%0.56638%0.377SS*.Hα-helixtrans-59.5-40173.6330000112.9S82S82-S84 PolarHBondContact O-N 3.04Å; S82-S84 PolarHBondContact OG-OG 2.95Å
85E97.4Very high98Very high104 Ų10479.7 Ų79.749%0.48640%0.398SS..Hα-helixtrans-74.9-28.7177.5-67.8165.8117.700111.9L81 S82 E83 P88 F89L81-E85 HydrophobicContact CB-CB 4.39Å; L81-E85 HydrophobicContact CD2-CB 4.17Å; L81-E85 HydrophobicContact CG-CB 4.23Å; S82-E85 WeakPolarHBondContact CB-OE2 2.81Å; S82-E85 PolarHBondContact N-OE2 2.93Å; S82-E85 PolarHBondContact O-N 3.25Å; S82-E85 VanDerWaalsContact O-N 3.11Å; S82-E85 VanDerWaalsContact OG-CD 3.28Å; S82-E85 VanDerWaalsContact OG-CG 3.24Å; S82-E85 WeakPolarHBondContact OG-CG 3.47Å; S82-E85 PolarHBondContact OG-N 3.16Å; S82-E85 PolarHBondContact OG-OE2 3.01Å; E83-E85 VanDerWaalsContact C-N 3.32Å; E83-E85 PolarHBondContact O-N 3Å; E85-P88 WeakPolarHBondContact O-CD 3.23Å; E85-P88 WeakPolarHBondContact O-CG 3.35Å; E85-F89 VanDerWaalsContact O-CD2 3.29Å; E85-F89 WeakPolarHBondContact O-CD2 3.41Å; E85-F89 VanDerWaalsContact O-CE2 3.29Å; E85-F89 WeakPolarHBondContact O-CE2 3.42Å
86K98.1Very high98Very high29 Ų2980.2 Ų80.213%0.12640%0.395CS..Hα-helixtrans-75.8-32.2176.8-69.7168.3171.9151.70112.8W78 L81 S82 E83 F89 I90W78-K86 HydrophobicContact CE3-CG 4.43Å; W78-K86 HydrophobicContact CH2-CB 3.97Å; W78-K86 HydrophobicContact CH2-CD 4.45Å; W78-K86 HydrophobicContact CH2-CG 3.68Å; W78-K86 HydrophobicContact CZ2-CB 4.32Å; W78-K86 HydrophobicContact CZ2-CD 4.15Å; W78-K86 HydrophobicContact CZ2-CG 3.87Å; W78-K86 HydrophobicContact CZ3-CG 3.96Å; W78-K86 WeakPolarHBondContact O-CE 3.29Å; W78-K86 PolarHBondContact O-NZ 3.04Å; L81-K86 HydrophobicContact CB-CG 4.08Å; L81-K86 WeakPolarHBondContact O-CE 3.41Å; L81-K86 PolarHBondContact O-NZ 3.26Å; S82-K86 WeakPolarHBondContact O-CG 3.49Å; S82-K86 PolarHBondContact O-N 3.49Å; E83-K86 PolarHBondContact O-N 2.94Å; K86-F89 PolarHBondContact O-N 2.82Å; K86-I90 HydrophobicContact CB-CD1 3.83Å; K86-I90 HydrophobicContact CB-CG1 4.4Å; K86-I90 WeakPolarHBondContact O-CG1 3.48Å; K86-I90 PolarHBondContact O-N 2.74Å
87R98.1Very high97.9Very high157 Ų15785.8 Ų85.859%0.59241%0.406SS*.Hα-helixtrans-43.8-53.8-177.7-87.9-178.7-179.4175.40115E83 F89 I90 D91E83-R87 WeakPolarHBondContact O-CG 3.13Å; E83-R87 PolarHBondContact O-N 3.34Å; R87-F89 PolarHBondContact O-N 3Å; R87-I90 WeakPolarHBondContact O-CB 3.4Å; R87-I90 PolarHBondContact O-N 2.8Å; R87-I90 VanDerWaalsContact O-N 3.1Å; R87-D91 PolarHBondContact O-N 3.49Å
88P98.2Very high97.9Very high77 Ų7784 Ų8450%0.541%0.408SS..Hα-helixtrans-59-36.1-179.221.6-33.9000112.9E85 E92E85-P88 WeakPolarHBondContact O-CD 3.23Å; E85-P88 WeakPolarHBondContact O-CG 3.35Å; P88-E92 WeakPolarHBondContact O-CB 3.46Å; P88-E92 PolarHBondContact O-N 3.26Å
89F98.2Very high97.9Very high64 Ų6485 Ų8528%0.28142%0.416SS..Hα-helixtrans-77.9-30.6178.7-52.7-72000112.8V49 W50 W78 E85 K86 R87 A93V49-F89 HydrophobicContact CG1-CD1 4.2Å; W50-F89 HydrophobicContact CB-CB 4.21Å; W50-F89 HydrophobicContact CB-CD1 3.8Å; W50-F89 HydrophobicContact CB-CD2 4.15Å; W50-F89 HydrophobicContact CB-CE1 4.23Å; W50-F89 HydrophobicContact CB-CG 3.77Å; W50-F89 AromaticContact CD1-CD2 3.86Å; W50-F89 AromaticContact CD1-CE2 3.53Å; W50-F89 AromaticContact CD1-CZ 3.62Å; W50-F89 HydrophobicContact CG-CD2 4.34Å; W50-F89 HydrophobicContact CG-CE2 4.39Å; W50-F89 HydrophobicContact CG-CG 4.41Å; W78-F89 HydrophobicContact CH2-CB 4.23Å; W78-F89 HydrophobicContact CZ3-CB 4.48Å; W78-F89 HydrophobicContact CZ3-CD2 4.26Å; E85-F89 VanDerWaalsContact O-CD2 3.29Å; E85-F89 WeakPolarHBondContact O-CD2 3.41Å; E85-F89 VanDerWaalsContact O-CE2 3.29Å; E85-F89 WeakPolarHBondContact O-CE2 3.42Å; K86-F89 PolarHBondContact O-N 2.82Å; R87-F89 PolarHBondContact O-N 3Å; F89-A93 VanDerWaalsContact O-CB 3.29Å; F89-A93 WeakPolarHBondContact O-CB 3.36Å; F89-A93 PolarHBondContact O-N 3.48Å
90I97.9Very high97.9Very high41 Ų4177.8 Ų77.821%0.2139%0.385CS..Hα-helixtrans-65.9-47.1172.6-69.4168.6000109.8A46 E83 K86 R87 A93 K94A46-I90 HydrophobicContact CB-CB 4.48Å; A46-I90 HydrophobicContact CB-CG1 3.85Å; E83-I90 WeakPolarHBondContact OE1-CD1 3.43Å; K86-I90 HydrophobicContact CB-CD1 3.83Å; K86-I90 HydrophobicContact CB-CG1 4.4Å; K86-I90 WeakPolarHBondContact O-CG1 3.48Å; K86-I90 PolarHBondContact O-N 2.74Å; R87-I90 WeakPolarHBondContact O-CB 3.4Å; R87-I90 PolarHBondContact O-N 2.8Å; R87-I90 VanDerWaalsContact O-N 3.1Å; I90-A93 PolarHBondContact O-N 3.05Å; I90-K94 HydrophobicContact CG2-CD 4.45Å; I90-K94 WeakPolarHBondContact O-CG 3.39Å; I90-K94 PolarHBondContact O-N 3.2Å
91D98.4Very high97.8Very high84 Ų8475.2 Ų75.245%0.44937%0.37SS..Hα-helixtrans-68.7-38.4-179.1-66.6-24000111.6R87 A93 K94 R95R87-D91 PolarHBondContact O-N 3.49Å; D91-A93 PolarHBondContact O-N 3.18Å; D91-K94 WeakPolarHBondContact O-CB 3.36Å; D91-K94 PolarHBondContact O-N 3.31Å; D91-K94 IonicContact OD1-NZ 2.91Å; D91-K94 PolarHBondContact OD1-NZ 3.18Å; D91-R95 WeakPolarHBondContact O-CB 3.49Å; D91-R95 PolarHBondContact O-N 2.91Å
92E98.2Very high97.8Very high67 Ų6782.2 Ų82.231%0.31340%0.4SS..Hα-helixtrans-63.8-40.7172.2-179.156.5-163.200112.2V49 P88 K94 R95 L96V49-E92 HydrophobicContact CG1-CB 4.33Å; V49-E92 HydrophobicContact CG1-CG 3.88Å; P88-E92 WeakPolarHBondContact O-CB 3.46Å; P88-E92 PolarHBondContact O-N 3.26Å; E92-K94 VanDerWaalsContact C-N 3.34Å; E92-K94 PolarHBondContact O-N 2.87Å; E92-R95 WeakPolarHBondContact O-CB 3.18Å; E92-R95 PolarHBondContact O-N 3.02Å; E92-R95 IonicContact OE1-CZ 3.72Å; E92-R95 IonicContact OE1-NE 2.8Å; E92-R95 PolarHBondContact OE1-NE 3.29Å; E92-R95 IonicContact OE1-NH2 2.75Å; E92-R95 PolarHBondContact OE1-NH2 2.94Å; E92-R95 IonicContact OE2-CZ 2.71Å; E92-R95 IonicContact OE2-NE 3.4Å; E92-R95 PolarHBondContact OE2-NE 3.24Å; E92-R95 IonicContact OE2-NH2 3.26Å; E92-L96 HydrophobicContact CG-CD1 4.37Å; E92-L96 WeakPolarHBondContact O-CG 3.37Å; E92-L96 PolarHBondContact O-N 3.1Å
93A98.2Very high97.7Very high12 Ų1285.7 Ų85.710%0.09941%0.411CS..Hα-helixtrans-64.6-37.3174.800000112.5A46 V49 F89 I90 D91 R97A46-A93 HydrophobicContact CB-CB 4.12Å; A46-A93 VanDerWaalsContact N-CB 3.29Å; V49-A93 HydrophobicContact CG2-CB 4.32Å; F89-A93 VanDerWaalsContact O-CB 3.29Å; F89-A93 WeakPolarHBondContact O-CB 3.36Å; F89-A93 PolarHBondContact O-N 3.48Å; I90-A93 PolarHBondContact O-N 3.05Å; D91-A93 PolarHBondContact O-N 3.18Å; A93-R97 WeakPolarHBondContact O-CB 3.18Å; A93-R97 PolarHBondContact O-N 2.94Å
94K98.6Very high97.6Very high126 Ų12683.5 Ų83.555%0.54840%0.401SS..Hα-helixtrans-63.4-44.5172.1-70.3172-167.3155.60110.8I90 D91 E92 R97 A98I90-K94 HydrophobicContact CG2-CD 4.45Å; I90-K94 WeakPolarHBondContact O-CG 3.39Å; I90-K94 PolarHBondContact O-N 3.2Å; D91-K94 WeakPolarHBondContact O-CB 3.36Å; D91-K94 PolarHBondContact O-N 3.31Å; D91-K94 IonicContact OD1-NZ 2.91Å; D91-K94 PolarHBondContact OD1-NZ 3.18Å; E92-K94 VanDerWaalsContact C-N 3.34Å; E92-K94 PolarHBondContact O-N 2.87Å; K94-R97 WeakPolarHBondContact O-CB 3.48Å; K94-R97 PolarHBondContact O-N 2.73Å; K94-A98 PolarHBondContact O-N 3.45Å
95R98.4Very high97.4Very high123 Ų12384.6 Ų84.646%0.46441%0.405SS..Hα-helixtrans-59.1-47.9177-167.7-163.970.1781.4111.2D91 E92 R97 A98 L99D91-R95 WeakPolarHBondContact O-CB 3.49Å; D91-R95 PolarHBondContact O-N 2.91Å; E92-R95 WeakPolarHBondContact O-CB 3.18Å; E92-R95 PolarHBondContact O-N 3.02Å; E92-R95 IonicContact OE1-CZ 3.72Å; E92-R95 IonicContact OE1-NE 2.8Å; E92-R95 PolarHBondContact OE1-NE 3.29Å; E92-R95 IonicContact OE1-NH2 2.75Å; E92-R95 PolarHBondContact OE1-NH2 2.94Å; E92-R95 IonicContact OE2-CZ 2.71Å; E92-R95 IonicContact OE2-NE 3.4Å; E92-R95 PolarHBondContact OE2-NE 3.24Å; E92-R95 IonicContact OE2-NH2 3.26Å; R95-R97 VanDerWaalsContact C-N 3.33Å; R95-R97 PolarHBondContact O-N 2.89Å; R95-A98 PolarHBondContact O-N 2.99Å; R95-L99 WeakPolarHBondContact O-CB 3.35Å; R95-L99 PolarHBondContact O-N 3.3Å
96L98.2Very high97.2Very high34 Ų3487.1 Ų87.118%0.17842%0.422CS..Hα-helixtrans-61.7-39.6176.2-71.8173.1000112.2M44 V49 E92 H100M44-L96 HydrophobicContact CB-CD1 4.33Å; M44-L96 HydrophobicContact CE-CD1 4.05Å; V49-L96 HydrophobicContact CG2-CD1 3.76Å; E92-L96 HydrophobicContact CG-CD1 4.37Å; E92-L96 WeakPolarHBondContact O-CG 3.37Å; E92-L96 PolarHBondContact O-N 3.1Å; L96-H100 VanDerWaalsContact O-CB 3.22Å; L96-H100 WeakPolarHBondContact O-CB 3.41Å; L96-H100 PolarHBondContact O-N 2.82Å
97R97.4Very high97.1Very high168 Ų16888.3 Ų88.363%0.63443%0.427SS*.Hα-helixtrans-63.7-46.1175-175.3-178.6-179.7-168.4-0.8111.4P43 A93 K94 R95 H100 M101P43-R97 HydrophobicContact CG-CB 4.48Å; A93-R97 WeakPolarHBondContact O-CB 3.18Å; A93-R97 PolarHBondContact O-N 2.94Å; K94-R97 WeakPolarHBondContact O-CB 3.48Å; K94-R97 PolarHBondContact O-N 2.73Å; R95-R97 VanDerWaalsContact C-N 3.33Å; R95-R97 PolarHBondContact O-N 2.89Å; R97-H100 PolarHBondContact O-N 3.22Å; R97-M101 VanDerWaalsContact O-CG 3.25Å; R97-M101 WeakPolarHBondContact O-CG 3.43Å; R97-M101 PolarHBondContact O-N 2.87Å
98A97.7Very high96.9Very high63 Ų6388.8 Ų88.852%0.52143%0.433SS..Hα-helixtrans-63-45.4178.800000111.6K94 R95 H100 M101 K102K94-A98 PolarHBondContact O-N 3.45Å; R95-A98 PolarHBondContact O-N 2.99Å; A98-H100 VanDerWaalsContact C-N 3.31Å; A98-H100 PolarHBondContact O-N 2.91Å; A98-M101 PolarHBondContact O-N 3.29Å; A98-K102 PolarHBondContact O-N 3.12Å
99L97.4Very high96.7Very high62 Ų6290.7 Ų90.733%0.32543%0.431SS..Hα-helixtrans-58.4-45.5175.1-176.564000111.1R95 M101 K102 E103R95-L99 WeakPolarHBondContact O-CB 3.35Å; R95-L99 PolarHBondContact O-N 3.3Å; L99-M101 VanDerWaalsContact C-N 3.34Å; L99-M101 PolarHBondContact O-N 3.16Å; L99-K102 WeakPolarHBondContact O-CB 3.22Å; L99-K102 PolarHBondContact O-N 3.03Å; L99-K102 VanDerWaalsContact O-N 3.12Å; L99-E103 HydrophobicContact CD1-CG 4.19Å; L99-E103 WeakPolarHBondContact CD1-OE1 3.47Å; L99-E103 HydrophobicContact CG-CG 4.35Å; L99-E103 WeakPolarHBondContact O-CG 3.44Å; L99-E103 PolarHBondContact O-N 3.39Å
100H97.8Very high96.4Very high18 Ų1897.7 Ų97.78%0.08346%0.455CS..Hα-helixtrans-62.2-38.6178.8-169.479.5000113.3V40 K41 P43 L96 R97 A98 K102 H104 Y107V40-H100 WeakPolarHBondContact CG1-CE1 3.29Å; K41-H100 PolarHBondContact O-CE1 3.23Å; K41-H100 PolarHBondContact O-NE2 2.87Å; P43-H100 HydrophobicContact CB-CB 4.04Å; P43-H100 HydrophobicContact CG-CB 4.2Å; L96-H100 VanDerWaalsContact O-CB 3.22Å; L96-H100 WeakPolarHBondContact O-CB 3.41Å; L96-H100 PolarHBondContact O-N 2.82Å; R97-H100 PolarHBondContact O-N 3.22Å; A98-H100 VanDerWaalsContact C-N 3.31Å; A98-H100 PolarHBondContact O-N 2.91Å; H100-K102 VanDerWaalsContact C-N 3.32Å; H100-H104 AromaticContact CE1-CD2 3.5Å; H100-H104 PolarHBondContact CE1-CD2 2.89Å; H100-H104 VanDerWaalsContact CE1-CD2 3.5Å; H100-H104 AromaticContact ND1-CD2 3.57Å; H100-H104 WeakPolarHBondContact O-CB 3.25Å; H100-H104 PolarHBondContact O-N 3.43Å; H100-Y107 AromaticContact CD2-CD1 3.91Å; H100-Y107 AromaticContact NE2-CD1 3.65Å; H100-Y107 AromaticContact NE2-CD2 3.51Å; H100-Y107 AromaticContact NE2-CE1 3.78Å; H100-Y107 AromaticContact NE2-CE2 3.64Å; H100-Y107 AromaticContact NE2-CG 3.48Å; H100-Y107 AromaticContact NE2-CZ 3.75Å
101M96.4Very high96.1Very high82 Ų8299.5 Ų99.540%0.40447%0.47SS..Hα-helixtrans-68.5-32.6175.2-63.7-72.486.200112.2R97 A98 L99 H104 P105 Y107R97-M101 VanDerWaalsContact O-CG 3.25Å; R97-M101 WeakPolarHBondContact O-CG 3.43Å; R97-M101 PolarHBondContact O-N 2.87Å; A98-M101 PolarHBondContact O-N 3.29Å; L99-M101 VanDerWaalsContact C-N 3.34Å; L99-M101 PolarHBondContact O-N 3.16Å; M101-H104 CarbonylContact O-C 3.49Å; M101-P105 WeakPolarHBondContact O-CA 3.49Å; M101-Y107 HydrophobicContact CE-CD1 3.59Å; M101-Y107 HydrophobicContact CE-CG 4.2Å
102K96.8Very high95.8Very high177 Ų177105.1 Ų105.177%0.7749%0.485SS*.Hα-helixtrans-72.2-44.5175.4-176.6-176.3175.5-175.40112A98 L99 H100A98-K102 PolarHBondContact O-N 3.12Å; L99-K102 WeakPolarHBondContact O-CB 3.22Å; L99-K102 PolarHBondContact O-N 3.03Å; L99-K102 VanDerWaalsContact O-N 3.12Å; H100-K102 VanDerWaalsContact C-N 3.32Å
103E96.1Very high95.3Very high118 Ų118113.2 Ų113.255%0.55151%0.512SS*.Hα-helixtrans-74.5-28.9-179.4-70.4178.117000112.5L99L99-E103 HydrophobicContact CD1-CG 4.19Å; L99-E103 WeakPolarHBondContact CD1-OE1 3.47Å; L99-E103 HydrophobicContact CG-CG 4.35Å; L99-E103 WeakPolarHBondContact O-CG 3.44Å; L99-E103 PolarHBondContact O-N 3.39Å
104H93.9Very high94.7Very high67 Ų67120.8 Ų120.831%0.3154%0.543SS..  trans-130.276179.9-54-68000110.7V40 H100 M101 D106 Y107V40-H104 HydrophobicContact CG1-CB 4.42Å; H100-H104 AromaticContact CE1-CD2 3.5Å; H100-H104 PolarHBondContact CE1-CD2 2.89Å; H100-H104 VanDerWaalsContact CE1-CD2 3.5Å; H100-H104 AromaticContact ND1-CD2 3.57Å; H100-H104 WeakPolarHBondContact O-CB 3.25Å; H100-H104 PolarHBondContact O-N 3.43Å; M101-H104 CarbonylContact O-C 3.49Å; H104-D106 VanDerWaalsContact C-N 3.26Å; H104-D106 PolarHBondContact O-N 3.32Å; H104-Y107 WeakPolarHBondContact O-CB 3.22Å; H104-Y107 PolarHBondContact O-N 2.94Å
105P93.9Very high94.1Very high103 Ų103121.1 Ų121.167%0.66956%0.556SS**THydrogen-bonded Turntrans-62.1-32.7-179.424.4-33.8000112.8M101 Y107M101-P105 WeakPolarHBondContact O-CA 3.49Å; P105-Y107 VanDerWaalsContact C-N 3.26Å; P105-Y107 PolarHBondContact O-N 3.25Å
106D93.4Very high93.2Very high158 Ų158124.5 Ų124.585%0.84557%0.574SS**THydrogen-bonded Turntrans-85.46.8177.2-60.9-41.6000113.6H104 K108H104-D106 VanDerWaalsContact C-N 3.26Å; H104-D106 PolarHBondContact O-N 3.32Å; D106-K108 PolarHBondContact O-N 3.26Å; D106-K108 VanDerWaalsContact O-N 3.09Å
107Y95.3Very high92Very high54 Ų54128.2 Ų128.221%0.21260%0.598CS.*  trans-64116.4-179180-100.3000111.4V40 R42 H100 M101 H104 P105V40-Y107 HydrophobicContact CB-CD2 3.86Å; V40-Y107 HydrophobicContact CB-CE2 4.02Å; V40-Y107 HydrophobicContact CG1-CD2 3.49Å; V40-Y107 VanDerWaalsContact CG1-CD2 3.49Å; V40-Y107 HydrophobicContact CG1-CE2 3.73Å; V40-Y107 HydrophobicContact CG1-CG 4.49Å; R42-Y107 WeakPolarHBondContact CG-OH 3.4Å; H100-Y107 AromaticContact CD2-CD1 3.91Å; H100-Y107 AromaticContact NE2-CD1 3.65Å; H100-Y107 AromaticContact NE2-CD2 3.51Å; H100-Y107 AromaticContact NE2-CE1 3.78Å; H100-Y107 AromaticContact NE2-CE2 3.64Å; H100-Y107 AromaticContact NE2-CG 3.48Å; H100-Y107 AromaticContact NE2-CZ 3.75Å; M101-Y107 HydrophobicContact CE-CD1 3.59Å; M101-Y107 HydrophobicContact CE-CG 4.2Å; H104-Y107 WeakPolarHBondContact O-CB 3.22Å; H104-Y107 PolarHBondContact O-N 2.94Å; P105-Y107 VanDerWaalsContact C-N 3.26Å; P105-Y107 PolarHBondContact O-N 3.25Å
108K93.5Very high90.6Very high166 Ų166128.2 Ų128.272%0.72261%0.61SS**  trans-122.8126.9174.9-170.1168-175168.80111.5D106 R110D106-K108 PolarHBondContact O-N 3.26Å; D106-K108 VanDerWaalsContact O-N 3.09Å; K108-R110 HydrophobicContact CG-CG 4.3Å; K108-R110 PolarHBondContact O-N 2.88Å
109Y95Very high89Confident117 Ų117132.5 Ų132.546%0.45962%0.621SS.*  trans-71114.3173.5177.3-134.1000111.1R42 P111R42-Y109 VanDerWaalsContact NH1-CE2 3.32Å; R42-Y109 PolarHBondContact NH1-OH 3.48Å; R42-Y109 VanDerWaalsContact NH1-OH 3.14Å; R42-Y109 PolarHBondContact NH2-OH 3.37Å; Y109-P111 HydrophobicContact CD1-CG 4.31Å; Y109-P111 HydrophobicContact CE1-CB 4.37Å; Y109-P111 HydrophobicContact CE1-CG 3.66Å; Y109-P111 HydrophobicContact CE2-CB 4.08Å; Y109-P111 HydrophobicContact CE2-CG 4.02Å; Y109-P111 WeakPolarHBondContact OH-CB 3.4Å
110R92.3Very high87Confident211 Ų211138.6 Ų138.680%0.79665%0.645SS**  trans-121.886.9178-59.7-179.984.2-1537.5110.2K108 R112K108-R110 HydrophobicContact CG-CG 4.3Å; K108-R110 PolarHBondContact O-N 2.88Å; R110-R112 PolarHBondContact O-N 3.44Å
111P92.2Very high85.1Confident80 Ų80147 Ų14752%0.51968%0.682SS.*  trans-58130.4175.14.7-8.1000110.9Y109 R113Y109-P111 HydrophobicContact CD1-CG 4.31Å; Y109-P111 HydrophobicContact CE1-CB 4.37Å; Y109-P111 HydrophobicContact CE1-CG 3.66Å; Y109-P111 HydrophobicContact CE2-CB 4.08Å; Y109-P111 HydrophobicContact CE2-CG 4.02Å; Y109-P111 WeakPolarHBondContact OH-CB 3.4Å; P111-R113 PolarHBondContact O-N 3.01Å
112R90.7Very high83.1Confident202 Ų202149.3 Ų149.376%0.76270%0.695SS**  trans-78111.5177.3-171.8174.6-172.6-85.95109.5R110R110-R112 PolarHBondContact O-N 3.44Å
113R88.3Confident80.8Confident236 Ų236149.9 Ų149.989%0.89170%0.698SS**  trans-67.4134.3169.3-65.4179.170.1175.50.9109P111P111-R113 PolarHBondContact O-N 3.01Å
114K86.2Confident78.5Confident171 Ų171154.2 Ų154.274%0.74371%0.711SS**  trans-102.8130.5165.5-64.5-174.7179.6-1760107K116K114-K116 PolarHBondContact O-N 3.21Å; K114-K116 VanDerWaalsContact O-N 3.09Å
115T84.5Confident76.2Confident134 Ų134157.7 Ų157.782%0.82274%0.736SS**  trans-64.5109.9171.1-50.70000107.4T117T115-T117 PolarHBondContact O-N 2.95Å
116K79.3Confident74Confident194 Ų194159.2 Ų159.284%0.84374%0.738SS**  trans-80102.6167.5-63.7-175.375.9-177.90105.5K114 L118K114-K116 PolarHBondContact O-N 3.21Å; K114-K116 VanDerWaalsContact O-N 3.09Å; K116-L118 VanDerWaalsContact C-N 3.29Å; K116-L118 PolarHBondContact O-N 3.5Å
117T74.6Confident71.8Confident111 Ų111158 Ų15868%0.68174%0.739SS**  trans-64.696.6167130000107.2T115 M119T115-T117 PolarHBondContact O-N 2.95Å; T117-M119 PolarHBondContact O-N 3.42Å
118L67.8Low69.1Low168 Ų168158.7 Ų158.788%0.8876%0.763SS**  trans-71.670.3168.8-170.877.6000107.5K116 K120K116-L118 VanDerWaalsContact C-N 3.29Å; K116-L118 PolarHBondContact O-N 3.5Å; L118-K120 PolarHBondContact O-N 2.9Å
119M63.6Low67.1Low154 Ų154154.4 Ų154.476%0.75977%0.765SS**  trans-71.2116.616849.7-172.967.100107.7T117 K121T117-M119 PolarHBondContact O-N 3.42Å; M119-K121 PolarHBondContact O-N 2.97Å
120K56Low64.6Low189 Ų189156.2 Ų156.282%0.82278%0.782SS**  trans-36.8104.4174.4-77.2155.1169.4172.40111.1L118 D122L118-K120 PolarHBondContact O-N 2.9Å; K120-D122 PolarHBondContact O-N 3.14Å
121K58.3Low62.1Low196 Ų196153.9 Ų153.985%0.85279%0.785SS**  trans-93.561158.9-164.8176.1-179.3178.60108.2M119M119-K121 PolarHBondContact O-N 2.97Å
122D53.5Low59.7Low129 Ų129154.6 Ų154.669%0.6980%0.797SS**  trans-108.774.2163.1-63.5-43.7000107.2K120K120-D122 PolarHBondContact O-N 3.14Å
123K47.6Very low57.8Low190 Ų190151.3 Ų151.383%0.82680%0.803SS**  trans-138.297150.5-70.2-157.5-175.4-162.40106.8T125K123-T125 PolarHBondContact O-N 3.05Å
124Y49.6Very low55.3Low209 Ų209144.1 Ų144.182%0.8280%0.801SS**  trans-17.6119.5161.6-70.2-99.3000113.7L126Y124-L126 HydrophobicContact CD1-CD1 4.46Å
125T45.8Very low52.9Low139 Ų139139.9 Ų139.985%0.85381%0.806SS**  trans-131.185.1149.6-48.90000105.9K123K123-T125 PolarHBondContact O-N 3.05Å
126L47.7Very low50.9Low136 Ų136141.9 Ų141.971%0.71281%0.812SS**  trans-59.8144162.9-77.5160.6000108.7Y124 G128Y124-L126 HydrophobicContact CD1-CD1 4.46Å; L126-G128 PolarHBondContact O-N 2.87Å
127P46.4Very low48.9Very low131 Ų131136 Ų13685%0.85181%0.806SS**SBendtrans-79.6107.8173.732-27.8000108.2
128G39.4Very low47.1Very low70 Ų70140.3 Ų140.372%0.72282%0.821SS**  trans-172.4105.6176.500000109.8L126L126-G128 PolarHBondContact O-N 2.87Å
129G49.8Very low45.6Very low75 Ų75135.7 Ų135.777%0.77381%0.814SS**  trans-60.5151.3171.500000111.1
130L42.3Very low44.4Very low155 Ų155135.6 Ų135.681%0.81282%0.822SS**  trans163.1112146.1-84.6172.2000107.1
131L39.7Very low43.4Very low162 Ų162130.3 Ų130.385%0.84882%0.822SS**  trans57.3125.9142.8-46.5160.6000116.7
132A42.5Very low42.4Very low95 Ų95128 Ų12879%0.78582%0.824SS**  cis-175.2172.344.800000109.3
133P51Low41.6Very low134 Ų134125.5 Ų125.587%0.8783%0.828SS**  trans-100.6159.1-158.738.4-31.8000114.5
134G35.6Very low41Very low84 Ų84123.3 Ų123.387%0.86683%0.83SS**  trans137.6130.9153.500000115.6
135G36.6Very low40.3Very low82 Ų82116.9 Ų116.985%0.84583%0.827SS**  trans132.382.6156.900000115.8
136N42.5Very low39.7Very low177 Ų177117.4 Ų117.495%0.94783%0.83SS**  trans-64.8159.3161.8-84.44.6000112.2
137G36Very low39Very low70 Ų70114.6 Ų114.672%0.72283%0.834SS**  trans126.597.5155.600000112.7
138M37.3Very low38.5Very low202 Ų202113.8 Ų113.8100%0.99584%0.838SS**  61.3118.483.6-158.896.995.700112.7
139G36.8Very low38.3Very low70 Ų70114.1 Ų114.172%0.72284%0.842SS**  trans160.991.3166.300000116.4
140T37.8Very low37.5Very low153 Ų153119.5 Ų119.594%0.93985%0.852SS**  trans-36.5141.7153.2340000114.7
141G35.9Very low37Very low78 Ų78115.9 Ų115.980%0.80485%0.852SS**  trans-161.997.4170.300000112.4
142V36.8Very low36.7Very low148 Ų148112.5 Ų112.590%0.89786%0.856SS**  trans-67.9134.1169.4-153.80000108.2
143G36.1Very low36.4Very low75 Ų75111.2 Ų111.277%0.77385%0.852SS**  trans-152.789.9-179.500000112.1
144V35.1Very low36Very low144 Ų144111.2 Ų111.287%0.87385%0.849SS**  trans-66.9130.5163.7172.60000108.2
145G34.5Very low36.1Very low74 Ų74115.1 Ų115.176%0.76385%0.85SS**  trans-153.891.5178.500000111.8
146V33.4Very low36.2Very low150 Ų150118.9 Ų118.991%0.90985%0.846SS**  trans-59.8140.6162.2-85.80000110.7
147G32.6Very low36.4Very low78 Ų78120.9 Ų120.980%0.80484%0.84SS**  trans-177.978176.100000113.3
148A36.4Very low37.1Very low113 Ų113126 Ų12693%0.93485%0.848SS**  trans-71.3131.3159.400000108.8
149G34.7Very low37.3Very low78 Ų78124.1 Ų124.180%0.80484%0.841SS**  trans-159.7108.617800000111
150L33.1Very low37.8Very low188 Ų188126.5 Ų126.598%0.98485%0.847SS**  trans-59.8148.7172.4-71.3134.1000111.6
151G33.2Very low38Very low79 Ų79129.2 Ų129.281%0.81484%0.842SS**  trans176.987.8168.600000113.2
152G33.1Very low38.6Very low90 Ų90130.3 Ų130.393%0.92884%0.843SS**  trans-68.7140.6166.300000111.1
153G34.8Very low39.1Very low68 Ų68128.3 Ų128.370%0.70184%0.842SS**  trans-157.695.6177.300000110.1N155G153-N155 PolarHBondContact O-N 3.31Å
154V44.1Very low39.9Very low134 Ų134131 Ų13181%0.81283%0.834SS**  trans-39.9126.4161.3-94.40000111.9
155N38.1Very low40.2Very low166 Ų166131.1 Ų131.189%0.88883%0.827SS**  trans-149.7107.7149-86.4-56.8000109.6G153G153-N155 PolarHBondContact O-N 3.31Å
156Q37Very low40.8Very low162 Ų162135.1 Ų135.176%0.75783%0.831SS**  trans-79133.1172.1-63.7-165.554.400109.7
157R47.5Very low41Very low219 Ų219131 Ų13183%0.82682%0.819SS**  trans47.4104.1134.2-62.5179.5175.6-171.3-0.3118
158M50.4Low41.3Very low178 Ų178139.6 Ų139.688%0.87783%0.828SS**  trans-15965.2142.2-155.468.8172.700112.5
159D42.7Very low41.5Very low161 Ų161141.1 Ų141.186%0.86183%0.826SS**  trans-143.631.8172.6-72.4-59.1000113.6Y161D159-Y161 PolarHBondContact O-N 3.4Å
160S46.1Very low41.9Very low120 Ų120145.1 Ų145.184%0.83983%0.829SS**SBendtrans-89.626.7-179.6-58.70000114.8
161Y42.4Very low42.1Very low210 Ų210139.3 Ų139.382%0.82481%0.814SS**SBendtrans-137.86.5-177.4-133.5-95.2000118D159D159-Y161 PolarHBondContact O-N 3.4Å
162A48.5Very low42.2Very low101 Ų101139.5 Ų139.584%0.83582%0.816SS**SBendtrans-113.923.8-17600000115.1
163A47.2Very low42.5Very low106 Ų106146.8 Ų146.888%0.87682%0.817SS**  trans-122.343.9176.900000112.6
164H53.9Low43.3Very low131 Ų131146.3 Ų146.361%0.60681%0.812SS**  trans-112.4104158.585.4-85.7000107.5
165M40.3Very low43.6Very low148 Ų148148.8 Ų148.873%0.72982%0.817SS**SBendtrans170121.4134.2-85.5-49.8174.700108.1
166N46.9Very low44.1Very low157 Ų157149.9 Ų149.984%0.8482%0.819SS**SBendtrans89.275.4165.5-49.2-47.6000118.4
167G38.8Very low44.1Very low65 Ų65150.8 Ų150.867%0.6782%0.823SS**  89.8104124.400000117.4
168W37.9Very low43.6Very low258 Ų258147.4 Ų147.498%0.97782%0.822SS**  167.594.8118.5-86.637.4000105.9
169T41.4Very low42.9Very low145 Ų145146.4 Ų146.489%0.8982%0.815SS**  trans-78.1127.8170.760.10000107.7
170N43.3Very low42.6Very low162 Ų162146.2 Ų146.287%0.86681%0.813SS**  trans-134.2104.6165.4-141-80.9000108.6
171G36.4Very low41.9Very low66 Ų66145 Ų14568%0.6880%0.804SS**  trans68.665.3147.400000117.6
172G35.7Very low41.7Very low82 Ų82145 Ų14585%0.84580%0.804SS**  trans-85.495.7154.500000110.1
173Y38.9Very low40.9Very low243 Ų243148.1 Ų148.195%0.95380%0.802SS**  trans-92.395.5153.7-81.6-80.9000107.2
174G51.9Low40.3Very low58 Ų58151.2 Ų151.260%0.59880%0.798SS**  trans-165.686.2172.300000106.6
175M51.2Low39.8Very low186 Ų186150.3 Ų150.392%0.91680%0.804SS**  trans170.483.2158.4-81.6-28.3-160.900107.9
176M47.3Very low39.4Very low190 Ų190146.6 Ų146.694%0.93680%0.803SS**  trans-145.8136.1145.1-78-165.5-17800108.4
177Q37.3Very low39.1Very low181 Ų181147.3 Ų147.385%0.84681%0.806SS**  trans93.176170.4-133.288.934.900117.9
178D37.2Very low38.9Very low148 Ų148152 Ų15279%0.79182%0.816SS**  trans-69.5164.4140.8-156.8-70.2000109.6
179Q35Very low38.9Very low156 Ų156143.2 Ų143.273%0.72980%0.798SS**  trans90.476.5-170.9-59.1-81.15.500115.3
180L36.3Very low38.7Very low157 Ų157144.9 Ų144.982%0.82280%0.795SS**  -174.5118.1110.7-95.2147.9000111.5
181S32Very low38.5Very low95 Ų95145.1 Ų145.166%0.66480%0.796SS**  trans-44.7131.416550.80000114.4
182Y38.7Very low39.3Very low210 Ų210147.4 Ų147.482%0.82480%0.799SS**  trans-140.5105.8144.1-97.9-77.8000110.8
183Q32.1Very low39.1Very low166 Ų166146.8 Ų146.878%0.77679%0.793SS**  trans-72.7130.1165.7-171.394.561.100108.6
184H33Very low39.2Very low172 Ų172144.3 Ų144.380%0.79679%0.79SS**  trans-115.7126.1157.8-76.1-76.7000108.4
185P44Very low38.4Very low112 Ų112149.6 Ų149.673%0.72780%0.801SS**  trans-126.6153143.827.9-10.3000111.2
186G32.3Very low37.7Very low69 Ų69149.7 Ų149.771%0.71180%0.799SS**  trans-76.5175.2-173.900000115.7
187L40.6Very low37.3Very low172 Ų172145.1 Ų145.190%0.90179%0.786SS**  trans41.7102.8148.1-54.3173.7000117.1
188N35.3Very low37.3Very low164 Ų164145.1 Ų145.188%0.87779%0.788SS**  179.8156105.8-132-0.6000111.2
189A37.7Very low37.6Very low73 Ų73147.1 Ų147.160%0.60379%0.793SS**  trans-55.6157.9178.400000114.9
190H37.5Very low37.8Very low181 Ų181151 Ų15184%0.83880%0.8SS**  161.4106.4127.7-82.391.8000112.4
191N37.9Very low37.8Very low166 Ų166154.2 Ų154.289%0.88880%0.803SS**  trans56.2149.4144.8-135.241.9000122.7
192P53Low38.4Very low114 Ų114156.2 Ų156.274%0.7481%0.806SS**  trans-103.4162.2-154.141.8-36.5000114.5
193G33.1Very low38.9Very low69 Ų69153.5 Ų153.571%0.71180%0.803SS**  trans-177.1115165.600000113.7
194Q39.1Very low39.7Very low192 Ų192150 Ų15090%0.89780%0.797SS**  trans76.8109.1151.9-62.4-80.3-3.200118.7
195M35.3Very low40.2Very low169 Ų169146 Ų14683%0.83379%0.794SS**  trans-70.3144.2164.3-57.7-167.582.800111.6
196Q38.2Very low40.3Very low188 Ų188148.4 Ų148.488%0.87980%0.8SS**  trans-151.6155.2144-87.3-51.5-47.300111.3
197S38.9Very low40.7Very low94 Ų94154.1 Ų154.166%0.65781%0.808SS**  trans-95157.2-141.4-168.30000116.1H199S197-H199 PolarHBondContact O-N 3.04Å
198M36.8Very low40.3Very low181 Ų181156.3 Ų156.389%0.89281%0.806SS**  trans-43.9122.3169.1-84.7-90-168.900113.7R200M198-R200 PolarHBondContact O-N 3.32Å
199H42.7Very low40.3Very low190 Ų190156.2 Ų156.288%0.8881%0.805SS**  trans-83112.9166.3-78.5-74.8000111.1S197S197-H199 PolarHBondContact O-N 3.04Å
200R38.5Very low40Very low237 Ų237157.4 Ų157.489%0.89481%0.809SS**  trans-53.4137174.4-159.3-176.5-153.1165.13112.3M198M198-R200 PolarHBondContact O-N 3.32Å
201Y37.6Very low39.9Very low225 Ų225157.3 Ų157.388%0.88281%0.811SS**  trans-58.2135.9167.8-80.1-96.5000111.6
202D44.5Very low39.9Very low136 Ų136155.5 Ų155.573%0.72781%0.806SS**  trans-108.2123.2162.9-176.16.6000108.8S204D202-S204 PolarHBondContact OD1-OG 3.09Å; D202-S204 PolarHBondContact OD2-OG 3.22Å
203M49.6Very low39.1Very low154 Ų154155.3 Ų155.376%0.75981%0.807SS**  trans-118.873.5-173.5-113.6-84.388.300107.9
204S48.2Very low39.6Very low91 Ų91156.8 Ų156.864%0.63681%0.807SS**  trans-140.844.5-175.157.70000113.9D202D202-S204 PolarHBondContact OD1-OG 3.09Å; D202-S204 PolarHBondContact OD2-OG 3.22Å
205A42.4Very low39.6Very low90 Ų90155 Ų15574%0.74480%0.798SS**  trans-13225.9174.200000114.9
206L46.3Very low39.8Very low161 Ų161151.6 Ų151.684%0.84379%0.792SS**  trans-116.879.3169.2-73.8173000110.2
207Q40.8Very low39.9Very low190 Ų190152 Ų15289%0.88879%0.787SS**  trans-101.3109166.1-165.6149.410.400108.9
208Y32.3Very low40Very low218 Ų218155.7 Ų155.786%0.85580%0.795SS**  trans-57.1135.5168.4-99.4-97.9000110.3
209N35.1Very low40Very low162 Ų162154.4 Ų154.487%0.86679%0.792SS**  trans-117.9107.7154.8-118.624.9000109
210S32.7Very low39.6Very low97 Ų97148.5 Ų148.568%0.67878%0.783SS**  trans-77.4130.3161.9174.80000107.8
211M34.8Very low39.8Very low180 Ų180142.6 Ų142.689%0.88778%0.778SS**  trans-173.3121.9140.3-99.2158.2-155.800111.7
212T39.3Very low40.5Very low127 Ų127137.8 Ų137.878%0.77977%0.774SS**  trans-46.1137.6158.1177.60000113.3
213S34.8Very low40.2Very low110 Ų110137.6 Ų137.677%0.76978%0.778SS**  164.7140.4119.9510000112.3
214S44.5Very low39.4Very low100 Ų100140.6 Ų140.670%0.69978%0.783SS**  trans-47.6140.2175.148.20000115.8
215Q38.2Very low38.8Very low154 Ų154140.8 Ų140.872%0.7278%0.784SS**  -161.9139123.6-86.4-50.1-0.100111.6
216S40.8Very low38.8Very low99 Ų99145 Ų14569%0.69279%0.791SS**  trans-105.6110.1-174.2-61.10000111.4
217Y39.4Very low38.3Very low197 Ų197142.7 Ų142.777%0.77379%0.788SS**  trans-152.6116.8163-65.6-77.3000113.5
218M40.3Very low38Very low170 Ų170142.8 Ų142.884%0.83778%0.781SS**  trans59112.6148.2-66.1-78.6144.600119.6
219N38.2Very low38.4Very low154 Ų154137.7 Ų137.782%0.82478%0.778SS**  67.3115.386.7-161.6-26.9000114.4
220G34.2Very low38.4Very low67 Ų67137.6 Ų137.669%0.69177%0.772SS**  trans164.683.5168.600000114
221S41.1Very low38.6Very low113 Ų113142.2 Ų142.279%0.7978%0.783SS**  trans-66.4135.9164.6-69.40000110.7
222P53.8Low38.6Very low124 Ų124138.1 Ų138.181%0.80577%0.772SS**  trans-92.8108.6165.820.7-6.1000110.3
223T36.8Very low38.4Very low132 Ų132138.2 Ų138.281%0.8177%0.772SS**  trans-89.4116.3156.564.70000107.3
224Y32.9Very low39.1Very low216 Ų216139 Ų13985%0.84778%0.775SS**  trans-111.1121.5169.6-136.7-93.6000110.3
225S37.3Very low38.5Very low96 Ų96137.6 Ų137.667%0.67178%0.776SS**  trans-62.2145.3171.952.30000112.2
226M41.1Very low38.6Very low179 Ų179139.2 Ų139.288%0.88279%0.786SS**  trans-117.3125.6158.9-89-65174.500110.7
227S36.7Very low38.5Very low112 Ų112140.9 Ų140.978%0.78379%0.793SS**PPolyproline II helixtrans-72.3139.9-176.141.70000113.3
228Y33.2Very low38.3Very low191 Ų191136.1 Ų136.175%0.74979%0.794SS**PPolyproline II helixtrans-81.8137.6172.2114.1-83.8000110.9
229S41.6Very low38.1Very low111 Ų111136.4 Ų136.478%0.77680%0.798SS**PPolyproline II helixtrans-97.2135.1171.653.90000111.2
230Q35.8Very low37.9Very low160 Ų160132 Ų13275%0.74879%0.789SS**PPolyproline II helixtrans-67.6145.5-177.6-58.7-161.981.700114.7
231Q36.2Very low38Very low194 Ų194133.5 Ų133.591%0.90779%0.789SS**  trans-155.7159142.3-141.5155.715.300111.2
232S34Very low37.9Very low94 Ų94136.3 Ų136.366%0.65779%0.792SS**  trans-100.5140.3-140.4430000117.8
233T36Very low37Very low129 Ų129133.8 Ų133.879%0.79179%0.788SS**  trans48.5163140.462.30000123.1
234P50.2Low38.2Very low126 Ų126133.6 Ų133.682%0.81879%0.789SS**  cis-137.7168.4-39.337-19.3000114.5
235G31.4Very low38.3Very low71 Ų71129.1 Ų129.173%0.73279%0.789SS**  trans120.5116145.900000116.7
236M39.4Very low38.4Very low188 Ų188129.7 Ų129.793%0.92679%0.793SS**  trans163.7118.3130.7-78.2-9299.300108.2
237T39Very low38.4Very low135 Ų135127.5 Ų127.583%0.82879%0.79SS**  trans-71.2144.8172.239.40000110.7
238A34.5Very low38.6Very low97 Ų97128.6 Ų128.680%0.80279%0.792SS**  160.3142.4120.800000113.8
239L37.8Very low38.6Very low175 Ų175128.8 Ų128.892%0.91680%0.796SS**  trans83.3103.2147.9-147.266.6000118.7
240G32Very low38.5Very low63 Ų63128.5 Ų128.565%0.64980%0.795SS**  trans-82.6161.7156.500000111.8
241S37.2Very low38.2Very low97 Ų97129.5 Ų129.568%0.67880%0.799SS**  trans175.4122.3147.6-115.70000111.7
242M39.3Very low38.2Very low173 Ų173125.6 Ų125.685%0.85279%0.793SS**  trans65.3115.3143.1-38.7-55.4148.200119.9
243G35.7Very low38.2Very low71 Ų71126.7 Ų126.773%0.73280%0.801SS**  trans-87.2-150.3150.700000111.2
244P61.9Low38.3Very low127 Ų127126.1 Ų126.183%0.82580%0.802SS**  -128.4163.1-55.137.5-24.9000111.4
245S33.8Very low37.6Very low122 Ų122125.9 Ų125.985%0.85380%0.804SS**  trans168.3151.7161.7-87.30000109.1
246S39.8Very low37.9Very low108 Ų108128 Ų12876%0.75581%0.807SS**  cis-167.9166.64.442.90000109.5
247V41.8Very low38.3Very low134 Ų134124.3 Ų124.381%0.81280%0.797SS**  trans-44.4157.4-178.3-73.70000121.3
248V40Very low39.1Very low135 Ų135124 Ų12482%0.81880%0.797SS**  trans-40.4152.8169.2-64.30000118.4
249K32.9Very low39.3Very low194 Ų194125.6 Ų125.684%0.84380%0.797SS**  trans-146.5127.7156.2-167.9148.8170.2171.40111.2
250S39.9Very low39.4Very low106 Ų106123.2 Ų123.274%0.74179%0.789SS**  trans-105.8147.2174.6-45.60000108.9
251E30.4Very low39.5Very low181 Ų181126.4 Ų126.485%0.84680%0.796SS**  trans-161.5134.5151.9-110.9169.4150.400111.2
252S35.5Very low39.5Very low112 Ų112127.1 Ų127.178%0.78380%0.801SS**  trans-94153.9178.1-56.50000110.2
253S33.9Very low39.2Very low116 Ų116124.3 Ų124.381%0.81180%0.799SS**  trans169.2128.1131-72.20000114.7
254S37Very low39.2Very low117 Ų117125.1 Ų125.182%0.81879%0.793SS**  trans-17.2145.2154.954.10000122
255S36.3Very low38.1Very low122 Ų122127 Ų12785%0.85379%0.791SS**  trans-168.2133.8135.7173.30000112
256S37.8Very low38.1Very low114 Ų114133.4 Ų133.480%0.79780%0.796SS**  trans-118.8170.6175.3-96.40000109.9
257P48.5Very low37.8Very low111 Ų111133 Ų13372%0.72180%0.799SS**  trans-96.7175.8-145.439.7-36.5000114.8
258P56.1Low37.4Very low128 Ų128131.1 Ų131.183%0.83180%0.798SS**  trans-100.7154.717136-28.7000114.7
259V37.8Very low37.7Very low131 Ų131130.9 Ų130.979%0.79480%0.799SS**  trans-125.7164.2178177.60000109.3
260V40.4Very low37.8Very low125 Ų125125 Ų12576%0.75879%0.794SS**  trans96.9130.3165.6-166.30000112.5
261T34.6Very low37.7Very low131 Ų131125.9 Ų125.980%0.80480%0.798SS**  -158.6161.852.3112.40000114.3
262S36Very low38.2Very low112 Ų112126.3 Ų126.378%0.78380%0.8SS**  trans-73.5149.6-177.5-44.20000116.8
263S32.9Very low38.9Very low114 Ų114126 Ų12680%0.79780%0.798SS**  trans-165.1115.1138.464.90000113.9
264S35.5Very low39.9Very low88 Ų88123.9 Ų123.962%0.61579%0.794SS**  39.5105.9127.4-63.80000125
265H38.9Very low41.1Very low166 Ų166122.9 Ų122.977%0.76978%0.78SS**  32.3120.2127.840.7-103.6000123.4
266R33.4Very low42.6Very low257 Ų257122.6 Ų122.697%0.9777%0.768SS**  -159.4146.8127.6-112.7179.1-178.5-145.90.6112.8
267A33.3Very low43.8Very low99 Ų99126.3 Ų126.382%0.81877%0.765SS**  trans-56.9167.6-165.900000117.2
268A33.8Very low44.6Very low94 Ų94127.2 Ų127.278%0.77776%0.763SS**  cis-166.6-169.44500000112.8
269P46.5Very low45.5Very low131 Ų131126.5 Ų126.585%0.85175%0.751SS**  -120.3163.7-108.934.7-15.1000115.3
270G35.8Very low46.6Very low71 Ų71124.9 Ų124.973%0.73274%0.736SS**  trans135.770152.300000116.5
271C36.8Very low47.8Very low124 Ų124122.8 Ų122.884%0.83873%0.727SS**  trans-178.181.3147.530.50000109.1S273C271-S273 PolarHBondContact O-N 3.33Å; C271-S273 VanDerWaalsContact O-N 3.14Å
272Q42.3Very low49.6Very low190 Ų190124 Ų12489%0.88873%0.725SS**  trans-76102168.2-71.3-165.438.800108.8
273S48.3Very low50.8Low105 Ų105127.4 Ų127.473%0.73472%0.723SS**  trans-52.4138.915444.60000110.5C271 D275C271-S273 PolarHBondContact O-N 3.33Å; C271-S273 VanDerWaalsContact O-N 3.14Å; S273-D275 PolarHBondContact O-N 3.31Å
274G56.4Low52.2Low71 Ų71128.5 Ų128.573%0.73272%0.719SS**  trans-40118.8-17700000114L276G274-L276 PolarHBondContact O-N 3.09Å
275D62.3Low52.9Low96 Ų96130.3 Ų130.351%0.51373%0.729SS.*  trans-65.2126.1176.3-165.6-8.3000108.8S273 R277 D278S273-D275 PolarHBondContact O-N 3.31Å; D275-R277 PolarHBondContact O-N 2.91Å; D275-R277 PolarHBondContact OD1-N 3.03Å; D275-D278 PolarHBondContact O-N 3.39Å; D275-D278 VanDerWaalsContact O-N 3.11Å
276L67.4Low53.4Low117 Ų117125.7 Ų125.761%0.61373%0.726SS**Hα-helixtrans-55.5-21.4177.2-107.9112.8000111.8G274 M279 I280G274-L276 PolarHBondContact O-N 3.09Å; L276-M279 PolarHBondContact O-N 3.3Å; L276-I280 HydrophobicContact CD2-CD1 4.32Å; L276-I280 WeakPolarHBondContact O-CB 3.2Å; L276-I280 WeakPolarHBondContact O-CD1 3.15Å; L276-I280 WeakPolarHBondContact O-CG1 3.45Å; L276-I280 PolarHBondContact O-N 3.41Å
277R62.2Low53.5Low192 Ų192118 Ų11873%0.72572%0.717SS**Hα-helixtrans-64.9-38.2177.9-129.6161.7-176.7-110.4-2.8113.8D275 S281D275-R277 PolarHBondContact O-N 2.91Å; D275-R277 PolarHBondContact OD1-N 3.03Å; R277-S281 WeakPolarHBondContact O-CB 3.46Å; R277-S281 PolarHBondContact O-N 2.88Å; R277-S281 PolarHBondContact O-OG 3.39Å
278D65.4Low54Low129 Ų129121.5 Ų121.569%0.6972%0.716SS**Hα-helixtrans-74.4-34.5174.4-101.74.3000111.3D275 S281 M282D275-D278 PolarHBondContact O-N 3.39Å; D275-D278 VanDerWaalsContact O-N 3.11Å; D278-S281 PolarHBondContact O-N 3.26Å; D278-M282 PolarHBondContact O-N 3.49Å
279M74.6Confident54.3Low114 Ų114123.9 Ų123.956%0.56272%0.721SS**Hα-helixtrans-66.8-37.3177.5-160.7-173.6-44.500112.1L276 Y283L276-M279 PolarHBondContact O-N 3.3Å; M279-Y283 WeakPolarHBondContact O-CD2 3.25Å
280I62Low53.8Low96 Ų96122.9 Ų122.949%0.49272%0.717SS.*Hα-helixtrans-75.3-32.3177.5-66.3162.7000111.2L276 M282 Y283L276-I280 HydrophobicContact CD2-CD1 4.32Å; L276-I280 WeakPolarHBondContact O-CB 3.2Å; L276-I280 WeakPolarHBondContact O-CD1 3.15Å; L276-I280 WeakPolarHBondContact O-CG1 3.45Å; L276-I280 PolarHBondContact O-N 3.41Å; I280-M282 VanDerWaalsContact C-N 3.3Å; I280-M282 PolarHBondContact O-N 3.36Å; I280-Y283 PolarHBondContact O-N 2.8Å
281S64.5Low53.7Low81 Ų81126.4 Ų126.457%0.56672%0.719SS**Hα-helixtrans-70.9-19.7-177.9-59.90000114.2R277 D278 Y283R277-S281 WeakPolarHBondContact O-CB 3.46Å; R277-S281 PolarHBondContact O-N 2.88Å; R277-S281 PolarHBondContact O-OG 3.39Å; D278-S281 PolarHBondContact O-N 3.26Å; S281-Y283 VanDerWaalsContact C-N 3.31Å
282M72.2Confident53.5Low156 Ų156129.4 Ų129.477%0.76872%0.721SS**THydrogen-bonded Turntrans-76.3-14.2172.7-67.7-144.9-54.600114.2D278 I280D278-M282 PolarHBondContact O-N 3.49Å; I280-M282 VanDerWaalsContact C-N 3.3Å; I280-M282 PolarHBondContact O-N 3.36Å
283Y62.1Low53.1Low185 Ų185125.1 Ų125.173%0.72571%0.712SS**SBendtrans-111.71.6-173.2-74.1-83.5000114.6M279 I280 S281M279-Y283 WeakPolarHBondContact O-CD2 3.25Å; I280-Y283 PolarHBondContact O-N 2.8Å; S281-Y283 VanDerWaalsContact C-N 3.31Å
284L62.5Low52.4Low136 Ų136124.2 Ų124.271%0.71271%0.711SS**  trans-110.2109.1171.9-100.870.1000110.4
285P49.3Very low51.4Low127 Ų127129.5 Ų129.583%0.82572%0.716SS**  trans-82119.8174.130.8-28000110.2
286G49.7Very low50.1Low69 Ų69130 Ų13071%0.71173%0.727SS**  trans56.290.3155.100000116.8
287A37Very low48.5Very low94 Ų94135.3 Ų135.378%0.77774%0.739SS**  trans-129.388155.400000108.3V289A287-V289 PolarHBondContact O-N 3.42Å
288E43.3Very low47.5Very low174 Ų174134.3 Ų134.381%0.81375%0.748SS**  trans-47122.9162.8-47.5-66.914400109.3
289V40.3Very low46.1Very low143 Ų143135.8 Ų135.887%0.86775%0.75SS**  trans-123.4102.2162.1-169.90000107.4A287A287-V289 PolarHBondContact O-N 3.42Å
290S35.7Very low44.1Very low110 Ų110136.7 Ų136.777%0.76975%0.754SS**  trans-70.4134.6168.9-46.80000109.9
291D32.8Very low42.8Very low146 Ų146137.2 Ų137.278%0.78177%0.766SS**  trans-159.9106138.3-142.1-17.2000111.3
292Q32.8Very low41.3Very low186 Ų186137 Ų13787%0.86978%0.777SS**  -171.7109.3123.9-102.1173.741.300111A294Q292-A294 PolarHBondContact O-N 3.47Å
293S34.1Very low39.8Very low100 Ų100138.3 Ų138.370%0.69978%0.781SS**  trans-31.4120.7158.254.90000113.5
294A34.5Very low38.4Very low87 Ų87139.8 Ų139.872%0.71979%0.787SS**  86.5133.18100000114.4Q292Q292-A294 PolarHBondContact O-N 3.47Å
295Q35.3Very low37.1Very low181 Ų181140.8 Ų140.885%0.84679%0.788SS**  trans8998158.3-51.8-172-11.700118.1
296S34.7Very low36.7Very low107 Ų107139.6 Ų139.675%0.74878%0.782SS**  160.1138.890.7-83.90000114.3
297R33.2Very low36Very low229 Ų229142.2 Ų142.286%0.86479%0.785SS**  trans77.997.7147.3-87.4-177163.7-131.3-0.9120.9
298L41.6Very low36.1Very low171 Ų171143.8 Ų143.890%0.89579%0.785SS**  -32.2131.5123.3-75.2150.2000112.7
299H35.9Very low36.5Very low159 Ų159141.7 Ų141.774%0.73679%0.786SS**  179.3131.4125.3-144.2-162.6000113.6
300M32.9Very low36.2Very low133 Ų133137.9 Ų137.966%0.65578%0.776SS**  trans79.7118.1139.5-77.5-74.8100.300124.2
301S34.3Very low36.2Very low107 Ų107138.7 Ų138.775%0.74878%0.776SS**  53132.6122.4-730000120.8
302G33.2Very low36.4Very low76 Ų76137.4 Ų137.478%0.78477%0.774SS**  trans153.694.5148.200000113.8
303H41.4Very low37.1Very low185 Ų185135.5 Ų135.586%0.85677%0.768SS**  trans-50.6144.9156.7-76.2-83.9000112.1
304Y31.3Very low37.4Very low216 Ų216137.6 Ų137.685%0.84777%0.772SS**  trans163134.5144.4-92.1-71.7000105.7
305Q36.3Very low38Very low156 Ų156137.1 Ų137.173%0.72978%0.775SS**  cis-164140.77.5-169.9168.538.300108.1
306S40.9Very low38.5Very low102 Ų102135 Ų13571%0.71377%0.774SS**  trans-83.8141.8161.5168.70000109.3
307T33.7Very low39.3Very low125 Ų125137.4 Ų137.477%0.76778%0.778SS**  trans-160107.9145.746.40000111.8
308V40Very low40.5Very low127 Ų127131.7 Ų131.777%0.7777%0.771SS**  trans-65.9168.9143-88.60000109.5
309P51.6Low40.7Very low129 Ų129131.5 Ų131.584%0.83877%0.77SS**  cis-152.1173.63439.7-16.8000118.5
310G33.4Very low42.1Very low64 Ų64129.3 Ų129.366%0.6677%0.768SS**  trans126.9128.4136.800000119.2
311T37.3Very low42.9Very low127 Ų127130.7 Ų130.778%0.77977%0.772SS**  trans77.8102.2142.5320000120.8
312T36.9Very low43.3Very low119 Ų119137.2 Ų137.273%0.7379%0.794SS**  71.7148.5124.858.50000120.8
313I46.6Very low43.8Very low146 Ų146140.3 Ų140.375%0.74980%0.795SS**  trans93.897.8155.579157.2000119.6
314N41.1Very low44Very low144 Ų144137.9 Ų137.977%0.7779%0.791SS**  64.9102.8124.1-65-35.9000119.2
315G46.5Very low44.7Very low77 Ų77133.6 Ų133.679%0.79479%0.788SS**  trans-60.9137.9141.300000110.9
316T46Very low45.2Very low135 Ų135132.3 Ų132.383%0.82879%0.792SS**  trans-161.4114.6159.2-69.60000106.8
317L50.9Low45.4Very low158 Ų158134.2 Ų134.283%0.82780%0.797SS**  trans-60.8-177159.7-59.1163.8000109.4
318P58.8Low46.2Very low110 Ų110134.8 Ų134.871%0.71480%0.799SS**  cis-128.7176.8-17.836-18.1000111.9
319L46.1Very low46.7Very low166 Ų166135.4 Ų135.487%0.86980%0.801SS**  trans-150.6111.1151.4-149.268.3000112.6
320T64.6Low46.3Very low113 Ų113135.8 Ų135.869%0.69380%0.798SS**  trans-65.3147.6163.850.40000111
321H49.6Very low47.4Very low162 Ų162141.8 Ų141.875%0.7581%0.809SS**  trans-160.9120138.2-107.7-79.1000111.2
322M44.2Very low48.3Very low245 Ų245143.2 Ų143.2100%1.20781%0.812SS**  trans66.60146.8-45.5-158.573.500120.4

Retrieved 322 of 322 residues in 52.5 ms (Link to these results)