A0A087XTZ3_POEFO Loading...

Specifically androgen-regulated gene protein-like

AlphaFold DB , UniProt , Accession A0A087XTZ3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 613 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
1M34.8Very low46.9Very low249 Ų249142.5 Ų142.5100%1.22782%0.82SS**  0150.50-76.1165.868.300108.8
2S40.8Very low47Very low105 Ų105136.9 Ų136.973%0.73480%0.803SS**  trans-77.2152.3-163.7-30.90000114.8
3K47.3Very low46.9Very low205 Ų205139.6 Ų139.689%0.89181%0.806SS**  178.3142.2107.7-89.9146.4-166-179.10112.8
4S63.8Low46.1Very low118 Ų118143.1 Ų143.183%0.82581%0.812SS**  trans-85.4165.7177.544.50000112.7
5G43.8Very low46.8Very low73 Ų73141.4 Ų141.475%0.75381%0.812SS**  trans-148.766.3176.900000112.6
6T66.4Low47.1Very low114 Ų114142.6 Ų142.670%0.69981%0.814SS**  trans-62.3143.1173.8-54.80000112
7W44.4Very low47.4Very low239 Ų239140.1 Ų140.191%0.90581%0.808SS**  trans-130.4148.7149.8-76.297.4000111.1
8P51Low47.4Very low111 Ų111141.4 Ų141.472%0.72181%0.811SS**  trans-111.3-169.5-164.143.8-34.7000112.3
9G36.5Very low47.8Very low54 Ų54142.8 Ų142.856%0.55781%0.812SS**  trans109.263.1138.500000116.3V11G9-V11 PolarHBondContact O-N 3.13Å
10N43.4Very low47.7Very low160 Ų160143.9 Ų143.986%0.85682%0.815SS**  trans-47120.5145.150.5-43.2000112
11V43.3Very low47.9Very low140 Ų140141.9 Ų141.985%0.84881%0.811SS**  trans-130.2129.4154.6-74.70000109.1G9G9-V11 PolarHBondContact O-N 3.13Å
12A48.3Very low48.7Very low75 Ų75134 Ų13462%0.6279%0.785SS**  trans-98.5179.5165.100000108.9
13M45.4Very low49.3Very low172 Ų172132.3 Ų132.385%0.84778%0.784SS**  trans66.7142.3-167.8-4.7-48.816900111.9
14E36.9Very low49.2Very low189 Ų189127.3 Ų127.388%0.88378%0.775SS**  cis-140149.222.4-59.6174.6145.300111.3
15S56.3Low48.6Very low117 Ų117127.7 Ų127.782%0.81878%0.777SS**  trans-73.3141.4167.3-620000110.7
16L51.5Low48.9Very low160 Ų160129.9 Ų129.984%0.83877%0.771SS**  trans-175.6130.1132-99.2165.2000111.8
17S52.6Low48.3Very low101 Ų101129.9 Ų129.971%0.70678%0.776SS**  trans39102.2160.661.60000119.5
18N46.5Very low49Very low164 Ų164123.3 Ų123.388%0.87776%0.762SS**  trans-14987.8144.4-101.9-39.2000111.9D20N18-D20 PolarHBondContact O-N 3.09Å
19M55.3Low49.1Very low167 Ų167125.5 Ų125.582%0.82377%0.766SS**  trans31.679.2146.8-151.685.277.300117.9S21M19-S21 VanDerWaalsContact C-N 3.27Å; M19-S21 PolarHBondContact O-N 3.41Å
20D45.1Very low49.5Very low164 Ų164127.1 Ų127.188%0.87777%0.769SS**  trans-68.688.1158.6-92.9-46.5000109.7N18 A22N18-D20 PolarHBondContact O-N 3.09Å; D20-A22 VanDerWaalsContact C-N 3.31Å
21S52.1Low50.1Low103 Ų103125.3 Ų125.372%0.7276%0.763SS**  trans-97.759.3160-68.60000109.5M19M19-S21 VanDerWaalsContact C-N 3.27Å; M19-S21 PolarHBondContact O-N 3.41Å
22A51.7Low50.6Low82 Ų82125.5 Ų125.568%0.67876%0.759SS**  trans-61.5135.2165.300000109D20 S24D20-A22 VanDerWaalsContact C-N 3.31Å; A22-S24 PolarHBondContact O-N 3.04Å
23G54.4Low51Low71 Ų71125.9 Ų125.973%0.73276%0.758SS**  trans-61.8107.6-163.200000114.6C25G23-C25 PolarHBondContact O-N 2.92Å
24S44.9Very low51.5Low100 Ų100121.9 Ų121.970%0.69975%0.752SS**  trans-79.193.9155.7-173.20000108.6A22 D26A22-S24 PolarHBondContact O-N 3.04Å; S24-D26 VanDerWaalsContact C-N 3.28Å
25C51.5Low52.5Low126 Ų126122 Ų12285%0.85174%0.744SS**  trans-94.519.4170.9-63.40000112.3G23 S27G23-C25 PolarHBondContact O-N 2.92Å; C25-S27 PolarHBondContact O-N 3.15Å
26D48.8Very low52.4Low119 Ų119120.6 Ų120.664%0.63674%0.735SS**  trans-97.462.8168.8-166.832.2000110S24 V28S24-D26 VanDerWaalsContact C-N 3.28Å; D26-V28 PolarHBondContact O-N 3.23Å
27S55Low52.6Low114 Ų114119.6 Ų119.680%0.79773%0.726SS**  trans-79.372.8162.8-62.80000108.6C25 I29C25-S27 PolarHBondContact O-N 3.15Å; S27-I29 PolarHBondContact O-N 3.21Å
28V58.2Low52.9Low101 Ų101119.3 Ų119.361%0.61272%0.717SS**  trans-51.2135.7153.1-71.80000107.9D26 S30D26-V28 PolarHBondContact O-N 3.23Å; V28-S30 PolarHBondContact O-N 2.94Å
29I53.4Low53.9Low157 Ų157115.7 Ų115.781%0.80570%0.704SS**  trans-45.397.6172.126172.4000110.1S27 T31S27-I29 PolarHBondContact O-N 3.21Å; I29-T31 VanDerWaalsContact C-N 3.28Å; I29-T31 PolarHBondContact O-N 3.16Å
30S45.3Very low54.5Low88 Ų88111.7 Ų111.762%0.61568%0.684SS**  trans-78.285175.5-173.50000107.9V28 N32 S33V28-S30 PolarHBondContact O-N 2.94Å; S30-N32 PolarHBondContact O-N 2.81Å; S30-S33 PolarHBondContact O-N 2.85Å
31T56.3Low56Low122 Ų122110.6 Ų110.675%0.74867%0.674SS**THydrogen-bonded Turntrans-63.1-1.7177.355.30000113.5I29I29-T31 VanDerWaalsContact C-N 3.28Å; I29-T31 PolarHBondContact O-N 3.16Å
32N53.8Low57.6Low143 Ų143115 Ų11577%0.76568%0.676SS**THydrogen-bonded Turntrans-11320.7179.7-86.147.4000113.4S30 A34S30-N32 PolarHBondContact O-N 2.81Å; N32-A34 VanDerWaalsContact C-N 3.27Å; N32-A34 PolarHBondContact O-N 3.07Å
33S55.7Low59.5Low84 Ų84113.8 Ų113.859%0.58766%0.658SS**  trans-63.8100.1153.563.40000107.4S30 W35S30-S33 PolarHBondContact O-N 2.85Å; S33-W35 PolarHBondContact O-N 3.34Å
34A55.3Low61.3Low87 Ų87113.2 Ų113.272%0.71964%0.643SS**  trans-50.1110.2163.200000106.3N32 S36N32-A34 VanDerWaalsContact C-N 3.27Å; N32-A34 PolarHBondContact O-N 3.07Å; A34-S36 PolarHBondContact O-N 3.5Å
35W58Low63.7Low191 Ų191112.4 Ų112.472%0.72364%0.642SS**  trans-63.4104.6-176.523.4-81.2000105.9S33 E37S33-W35 PolarHBondContact O-N 3.34Å; W35-E37 PolarHBondContact O-N 2.83Å
36S54.3Low65.7Low89 Ų89113.5 Ų113.562%0.62264%0.635SS**  trans-55.3107.3171.6-62.80000106.8A34 D38 S39A34-S36 PolarHBondContact O-N 3.5Å; S36-D38 PolarHBondContact O-N 2.97Å; S36-D38 VanDerWaalsContact O-N 3.11Å; S36-S39 VanDerWaalsContact O-CB 3.29Å; S36-S39 WeakPolarHBondContact O-CB 3.25Å; S36-S39 PolarHBondContact O-N 3.49Å
37E56.5Low68Low138 Ų138112.6 Ų112.665%0.64563%0.627SS**G310 helixtrans-61.4-26.3-170.8-158.6164.4160.500111.6W35 S39 M40W35-E37 PolarHBondContact O-N 2.83Å; E37-S39 PolarHBondContact O-N 3.36Å; E37-M40 VanDerWaalsContact O-CB 3.26Å; E37-M40 WeakPolarHBondContact O-CB 3.28Å; E37-M40 PolarHBondContact O-N 3.09Å
38D59.6Low69.8Low96 Ų96110.7 Ų110.751%0.51360%0.604SS.*G310 helixtrans-45.4-37.6163.3-175.725.2000114.1S36 M40 E41S36-D38 PolarHBondContact O-N 2.97Å; S36-D38 VanDerWaalsContact O-N 3.11Å; D38-M40 PolarHBondContact O-N 3.07Å; D38-M40 VanDerWaalsContact O-N 3.11Å; D38-E41 WeakPolarHBondContact O-CB 2.82Å; D38-E41 PolarHBondContact O-N 2.93Å
39S65.9Low71.6Confident88 Ų88108.1 Ų108.162%0.61559%0.593SS**G310 helixtrans-65.1-17.6176.8-1720000113.3S36 E37S36-S39 VanDerWaalsContact O-CB 3.29Å; S36-S39 WeakPolarHBondContact O-CB 3.25Å; S36-S39 PolarHBondContact O-N 3.49Å; E37-S39 PolarHBondContact O-N 3.36Å
40M69.1Low73.6Confident82 Ų82103.9 Ų103.940%0.40458%0.577SS.*G310 helixtrans-84.6-15.2176.3-140.3-177.7-64.400111.8E37 D38 Y42 L43 K48E37-M40 VanDerWaalsContact O-CB 3.26Å; E37-M40 WeakPolarHBondContact O-CB 3.28Å; E37-M40 PolarHBondContact O-N 3.09Å; D38-M40 PolarHBondContact O-N 3.07Å; D38-M40 VanDerWaalsContact O-N 3.11Å; M40-Y42 PolarHBondContact O-N 3.07Å; M40-L43 HydrophobicContact CG-CD1 3.93Å; M40-L43 PolarHBondContact O-N 2.92Å; M40-L43 VanDerWaalsContact O-N 3.15Å; M40-K48 HydrophobicContact CG-CG 4.49Å; M40-K48 WeakPolarHBondContact O-CE 3.36Å; M40-K48 PolarHBondContact O-NZ 2.73Å
41E76.3Confident75.9Confident141 Ų141104 Ų10466%0.65957%0.57SS**THydrogen-bonded Turntrans-63.3-27.3-177.5-64.7-164.5-161.600113.7D38 L43D38-E41 WeakPolarHBondContact O-CB 2.82Å; D38-E41 PolarHBondContact O-N 2.93Å; E41-L43 VanDerWaalsContact C-N 3.28Å; E41-L43 PolarHBondContact O-N 3.48Å
42Y86.3Confident77.7Confident195 Ų195103.9 Ų103.977%0.76556%0.563SS**THydrogen-bonded Turntrans-74.3-12.5177.7-59.4-79.2000114.8M40M40-Y42 PolarHBondContact O-N 3.07Å
43L91.4Very high79.7Confident57 Ų57103.1 Ų103.130%0.29855%0.553SS.*SBendtrans-85.4136.8-178.8-62.8-179000111.9M40 E41 E47 K48 L51M40-L43 HydrophobicContact CG-CD1 3.93Å; M40-L43 PolarHBondContact O-N 2.92Å; M40-L43 VanDerWaalsContact O-N 3.15Å; E41-L43 VanDerWaalsContact C-N 3.28Å; E41-L43 PolarHBondContact O-N 3.48Å; L43-E47 HydrophobicContact CB-CB 4.16Å; L43-E47 HydrophobicContact CD2-CB 4.39Å; L43-K48 HydrophobicContact CB-CG 3.87Å; L43-K48 VanDerWaalsContact O-CE 3.31Å; L43-K48 WeakPolarHBondContact O-CE 3.31Å; L43-L51 HydrophobicContact CD1-CD1 3.47Å; L43-L51 VanDerWaalsContact CD1-CD1 3.47Å
44S92.7Very high81.7Confident60 Ų60103.7 Ų103.742%0.4255%0.549SS..  trans-56.9152.7169.2-179.70000111.2E46 E47 K48S44-E46 PolarHBondContact O-N 2.73Å; S44-E46 PolarHBondContact OG-N 3.02Å; S44-E47 WeakPolarHBondContact CB-OE2 3.45Å; S44-E47 PolarHBondContact N-OE2 3.18Å; S44-E47 PolarHBondContact O-N 3.17Å; S44-K48 PolarHBondContact O-N 3.21Å
45A94.1Very high83.5Confident83 Ų83105.6 Ų105.669%0.68654%0.543SS*.Hα-helixtrans-56.5-31.6173.700000112.6A49A45-A49 VanDerWaalsContact O-CB 3.31Å; A45-A49 WeakPolarHBondContact O-CB 3.32Å; A45-A49 PolarHBondContact O-N 3.31Å
46E94.5Very high85.2Confident149 Ų149102.3 Ų102.370%0.69654%0.536SS*.Hα-helixtrans-69.1-41.6174.2-175.3173-171.800112.1S44 A49 C50S44-E46 PolarHBondContact O-N 2.73Å; S44-E46 PolarHBondContact OG-N 3.02Å; E46-A49 PolarHBondContact O-N 2.7Å; E46-C50 PolarHBondContact O-N 3.14Å; E46-C50 PolarHBondContact O-SG 2.71Å
47E95.9Very high87.1Confident100 Ų100100.5 Ų100.547%0.46752%0.521SS..Hα-helixtrans-68.2-41.5178.6-66.2169.6134.200111.2L43 S44 C50 L51L43-E47 HydrophobicContact CB-CB 4.16Å; L43-E47 HydrophobicContact CD2-CB 4.39Å; S44-E47 WeakPolarHBondContact CB-OE2 3.45Å; S44-E47 PolarHBondContact N-OE2 3.18Å; S44-E47 PolarHBondContact O-N 3.17Å; E47-C50 PolarHBondContact O-N 2.81Å; E47-L51 WeakPolarHBondContact O-CG 3.49Å; E47-L51 PolarHBondContact O-N 2.81Å
48K94.3Very high88.9Confident73 Ų7398.3 Ų98.332%0.31751%0.512SS..Hα-helixtrans-59.9-44.8171.2-68.4-178.4179-1750112M40 L43 S44 C50 L51 M52M40-K48 HydrophobicContact CG-CG 4.49Å; M40-K48 WeakPolarHBondContact O-CE 3.36Å; M40-K48 PolarHBondContact O-NZ 2.73Å; L43-K48 HydrophobicContact CB-CG 3.87Å; L43-K48 VanDerWaalsContact O-CE 3.31Å; L43-K48 WeakPolarHBondContact O-CE 3.31Å; S44-K48 PolarHBondContact O-N 3.21Å; K48-C50 VanDerWaalsContact C-N 3.31Å; K48-C50 PolarHBondContact O-N 3.32Å; K48-L51 PolarHBondContact O-N 3.38Å; K48-M52 WeakPolarHBondContact O-CB 3.42Å; K48-M52 PolarHBondContact O-N 3.27Å
49A94.1Very high90.4Very high47 Ų4799.4 Ų99.439%0.38851%0.514SS..Hα-helixtrans-63.3-36.7176.400000112.3A45 E46 F53A45-A49 VanDerWaalsContact O-CB 3.31Å; A45-A49 WeakPolarHBondContact O-CB 3.32Å; A45-A49 PolarHBondContact O-N 3.31Å; E46-A49 PolarHBondContact O-N 2.7Å; A49-F53 VanDerWaalsContact O-CB 3.25Å; A49-F53 WeakPolarHBondContact O-CB 3.46Å; A49-F53 PolarHBondContact O-N 3.21Å
50C96Very high91.5Very high68 Ų6898.3 Ų98.346%0.45951%0.511SS..Hα-helixtrans-67.4-42.4175.2-67.90000112.3E46 E47 K48 F53 L54E46-C50 PolarHBondContact O-N 3.14Å; E46-C50 PolarHBondContact O-SG 2.71Å; E47-C50 PolarHBondContact O-N 2.81Å; K48-C50 VanDerWaalsContact C-N 3.31Å; K48-C50 PolarHBondContact O-N 3.32Å; C50-F53 PolarHBondContact O-N 2.96Å; C50-L54 VanDerWaalsContact O-CG 3.24Å; C50-L54 WeakPolarHBondContact O-CG 3.33Å; C50-L54 PolarHBondContact O-N 3.24Å
51L94.9Very high92.5Very high90 Ų9099.7 Ų99.747%0.47152%0.519SS..Hα-helixtrans-65.1-48177.1-70.4174.5000111.8L43 E47 K48 F53 L54 E55L43-L51 HydrophobicContact CD1-CD1 3.47Å; L43-L51 VanDerWaalsContact CD1-CD1 3.47Å; E47-L51 WeakPolarHBondContact O-CG 3.49Å; E47-L51 PolarHBondContact O-N 2.81Å; K48-L51 PolarHBondContact O-N 3.38Å; L51-F53 VanDerWaalsContact C-N 3.32Å; L51-F53 PolarHBondContact O-N 3.21Å; L51-L54 WeakPolarHBondContact O-CB 3.4Å; L51-L54 PolarHBondContact O-N 2.93Å; L51-L54 VanDerWaalsContact O-N 3.09Å; L51-E55 PolarHBondContact O-N 3.34Å
52M94.1Very high92.8Very high121 Ų12198.8 Ų98.860%0.59652%0.515SS*.Hα-helixtrans-59.2-40.8176176.3172.747.900112.3K48 E55 E56K48-M52 WeakPolarHBondContact O-CB 3.42Å; K48-M52 PolarHBondContact O-N 3.27Å; M52-E55 PolarHBondContact O-N 2.88Å; M52-E56 WeakPolarHBondContact O-CB 3.45Å; M52-E56 PolarHBondContact O-N 3.29Å
53F95.3Very high92.2Very high127 Ų12794.5 Ų94.556%0.55751%0.509SS*.Hα-helixtrans-66.2-35.7174.7173.4-101.7000112.8A49 C50 L51 T57A49-F53 VanDerWaalsContact O-CB 3.25Å; A49-F53 WeakPolarHBondContact O-CB 3.46Å; A49-F53 PolarHBondContact O-N 3.21Å; C50-F53 PolarHBondContact O-N 2.96Å; L51-F53 VanDerWaalsContact C-N 3.32Å; L51-F53 PolarHBondContact O-N 3.21Å; F53-T57 VanDerWaalsContact O-CB 3.26Å; F53-T57 WeakPolarHBondContact O-CB 3.39Å; F53-T57 PolarHBondContact O-N 2.93Å; F53-T57 PolarHBondContact O-OG1 3.48Å
54L96.8Very high90.8Very high96 Ų9699.2 Ų99.250%0.50353%0.529SS..Hα-helixtrans-68.7-40.7175.7-73.7167.1000111.4C50 L51 T57 I58C50-L54 VanDerWaalsContact O-CG 3.24Å; C50-L54 WeakPolarHBondContact O-CG 3.33Å; C50-L54 PolarHBondContact O-N 3.24Å; L51-L54 WeakPolarHBondContact O-CB 3.4Å; L51-L54 PolarHBondContact O-N 2.93Å; L51-L54 VanDerWaalsContact O-N 3.09Å; L54-T57 PolarHBondContact O-N 2.86Å; L54-I58 WeakPolarHBondContact O-CD1 3.44Å; L54-I58 VanDerWaalsContact O-CG1 3.25Å; L54-I58 WeakPolarHBondContact O-CG1 3.4Å; L54-I58 PolarHBondContact O-N 3.29Å
55E93.2Very high89.3Confident127 Ų127104 Ų10459%0.59355%0.545SS*.Hα-helixtrans-61.2-52.9174.3-169.1165-143.900111L51 M52 T57 I58 E59L51-E55 PolarHBondContact O-N 3.34Å; M52-E55 PolarHBondContact O-N 2.88Å; E55-T57 VanDerWaalsContact C-N 3.27Å; E55-T57 PolarHBondContact O-N 3.46Å; E55-I58 PolarHBondContact O-N 3.44Å; E55-E59 PolarHBondContact O-N 3.33Å
56E93.9Very high87.6Confident122 Ų122107.3 Ų107.357%0.5755%0.551SS**Hα-helixtrans-54.7-40.4173.2-177.5-174.4-169.800112.3M52 A60M52-E56 WeakPolarHBondContact O-CB 3.45Å; M52-E56 PolarHBondContact O-N 3.29Å; E56-A60 VanDerWaalsContact O-CB 3.25Å; E56-A60 WeakPolarHBondContact O-CB 3.29Å; E56-A60 PolarHBondContact O-N 2.84Å
57T95.1Very high86.1Confident50 Ų50105 Ų10531%0.30755%0.551SS.*Hα-helixtrans-68.4-35.2179.1-61.50000112.2F53 L54 E55 L61F53-T57 VanDerWaalsContact O-CB 3.26Å; F53-T57 WeakPolarHBondContact O-CB 3.39Å; F53-T57 PolarHBondContact O-N 2.93Å; F53-T57 PolarHBondContact O-OG1 3.48Å; L54-T57 PolarHBondContact O-N 2.86Å; E55-T57 VanDerWaalsContact C-N 3.27Å; E55-T57 PolarHBondContact O-N 3.46Å; T57-L61 HydrophobicContact CG2-CD1 4.27Å; T57-L61 WeakPolarHBondContact O-CD1 3.47Å; T57-L61 VanDerWaalsContact O-CG 3.27Å; T57-L61 WeakPolarHBondContact O-CG 3.25Å; T57-L61 PolarHBondContact O-N 2.88Å
58I93.9Very high84.2Confident92 Ų92103 Ų10347%0.47256%0.557SS.*Hα-helixtrans-71.4-49.9177.5-68.8161.2000109.6L54 E55 A60 L61 E62L54-I58 WeakPolarHBondContact O-CD1 3.44Å; L54-I58 VanDerWaalsContact O-CG1 3.25Å; L54-I58 WeakPolarHBondContact O-CG1 3.4Å; L54-I58 PolarHBondContact O-N 3.29Å; E55-I58 PolarHBondContact O-N 3.44Å; I58-A60 VanDerWaalsContact C-N 3.28Å; I58-A60 PolarHBondContact O-N 3.49Å; I58-L61 PolarHBondContact O-N 3.2Å; I58-E62 HydrophobicContact CG2-CG 4.31Å; I58-E62 WeakPolarHBondContact CG2-OE1 3.26Å; I58-E62 WeakPolarHBondContact O-CG 3.48Å; I58-E62 PolarHBondContact O-N 2.64Å
59E91.1Very high82.3Confident119 Ų119107.4 Ų107.456%0.55658%0.584SS**Hα-helixtrans-55.2-43.2176.3-68.6-175.4170.800111.9E55 L61 E62 V63E55-E59 PolarHBondContact O-N 3.33Å; E59-L61 VanDerWaalsContact C-N 3.28Å; E59-L61 PolarHBondContact O-N 3.44Å; E59-E62 PolarHBondContact O-N 3.07Å; E59-V63 WeakPolarHBondContact O-CG2 3.14Å; E59-V63 PolarHBondContact O-N 3.45Å; E59-V63 VanDerWaalsContact O-N 3.11Å
60A89.8Confident80.2Confident65 Ų65110.7 Ų110.754%0.53760%0.604SS.*Hα-helixtrans-65.6-27.5178.100000113.9E56 I58E56-A60 VanDerWaalsContact O-CB 3.25Å; E56-A60 WeakPolarHBondContact O-CB 3.29Å; E56-A60 PolarHBondContact O-N 2.84Å; I58-A60 VanDerWaalsContact C-N 3.28Å; I58-A60 PolarHBondContact O-N 3.49Å
61L88.6Confident78.1Confident111 Ų111114.5 Ų114.558%0.58162%0.62SS**Hα-helixtrans-81.1-41.5175.1-72.9169.6000111.5T57 I58 E59 V63 Q64 E65T57-L61 HydrophobicContact CG2-CD1 4.27Å; T57-L61 WeakPolarHBondContact O-CD1 3.47Å; T57-L61 VanDerWaalsContact O-CG 3.27Å; T57-L61 WeakPolarHBondContact O-CG 3.25Å; T57-L61 PolarHBondContact O-N 2.88Å; I58-L61 PolarHBondContact O-N 3.2Å; E59-L61 VanDerWaalsContact C-N 3.28Å; E59-L61 PolarHBondContact O-N 3.44Å; L61-V63 PolarHBondContact O-N 3.02Å; L61-Q64 PolarHBondContact O-N 2.97Å; L61-Q64 VanDerWaalsContact O-N 3.08Å; L61-E65 PolarHBondContact O-N 2.95Å
62E82.3Confident76.1Confident122 Ų122117.1 Ų117.157%0.5763%0.634SS**Hα-helixtrans-61.1-42178.3-70.9-179.8-179.700111.8I58 E59 Q64 E65 D66I58-E62 HydrophobicContact CG2-CG 4.31Å; I58-E62 WeakPolarHBondContact CG2-OE1 3.26Å; I58-E62 WeakPolarHBondContact O-CG 3.48Å; I58-E62 PolarHBondContact O-N 2.64Å; E59-E62 PolarHBondContact O-N 3.07Å; E62-Q64 PolarHBondContact O-N 2.81Å; E62-E65 PolarHBondContact O-N 3.5Å; E62-E65 VanDerWaalsContact O-N 3.16Å; E62-D66 PolarHBondContact O-N 2.91Å
63V74.9Confident73.9Confident105 Ų105117.8 Ų117.864%0.63664%0.636SS**Hα-helixtrans-62.1-27.2175171.80000112.9E59 L61 S67E59-V63 WeakPolarHBondContact O-CG2 3.14Å; E59-V63 PolarHBondContact O-N 3.45Å; E59-V63 VanDerWaalsContact O-N 3.11Å; L61-V63 PolarHBondContact O-N 3.02Å; V63-S67 PolarHBondContact O-OG 2.96Å
64Q62Low71.9Confident156 Ų156117.3 Ų117.373%0.72965%0.646SS**Hα-helixtrans-82-24.5178.5-169.8163.9106.600112.9L61 E62L61-Q64 PolarHBondContact O-N 2.97Å; L61-Q64 VanDerWaalsContact O-N 3.08Å; E62-Q64 PolarHBondContact O-N 2.81Å
65E60.9Low69.4Low160 Ų160118.7 Ų118.775%0.74865%0.654SS**Hα-helixtrans-74.3-43.1176-172.1167.4-170.800111.7L61 E62 S67 G68L61-E65 PolarHBondContact O-N 2.95Å; E62-E65 PolarHBondContact O-N 3.5Å; E62-E65 VanDerWaalsContact O-N 3.16Å; E65-S67 PolarHBondContact O-N 2.81Å; E65-G68 PolarHBondContact O-N 2.86Å; E65-G68 VanDerWaalsContact O-N 3.13Å
66D58.8Low66.8Low153 Ų153119 Ų11982%0.81866%0.664SS**G310 helixtrans-71.9-12.8-175.4-147.524.5000113.6E62 G68E62-D66 PolarHBondContact O-N 2.91Å; D66-G68 PolarHBondContact O-N 3.32Å
67S61.4Low63.9Low100 Ų100123.3 Ų123.370%0.69968%0.675SS**G310 helixtrans-800.9172.7-62.80000113.9V63 E65V63-S67 PolarHBondContact O-OG 2.96Å; E65-S67 PolarHBondContact O-N 2.81Å
68G57.1Low61.2Low58 Ų58126.2 Ų126.260%0.59870%0.698SS**G310 helixtrans-88.6-4.8-169.300000117.7E65 D66E65-G68 PolarHBondContact O-N 2.86Å; E65-G68 VanDerWaalsContact O-N 3.13Å; D66-G68 PolarHBondContact O-N 3.32Å
69L53.9Low58.3Low166 Ų166130.4 Ų130.487%0.86971%0.712SS**  trans-128.120-164.8-69.6178.6000117.1N71L69-N71 PolarHBondContact O-N 3.31Å
70S51.2Low55.5Low116 Ų116130.2 Ų130.281%0.81172%0.719SS**  trans-9375.4165.4-166.60000111.3D72S70-D72 VanDerWaalsContact C-N 3.29Å; S70-D72 PolarHBondContact O-N 3.35Å; S70-D72 VanDerWaalsContact O-N 3.16Å
71N51.3Low52.6Low148 Ų148135.7 Ų135.779%0.79173%0.734SS**  trans-85.171.3172.1-168.759.3000110.1L69L69-N71 PolarHBondContact O-N 3.31Å
72D52.2Low50.5Low145 Ų145136.1 Ų136.178%0.77574%0.743SS**  trans-79.3112.9167.7-170.547.8000108.6S70 P74S70-D72 VanDerWaalsContact C-N 3.29Å; S70-D72 PolarHBondContact O-N 3.35Å; S70-D72 VanDerWaalsContact O-N 3.16Å; D72-P74 VanDerWaalsContact O-CD 3.31Å; D72-P74 WeakPolarHBondContact O-CD 3.25Å
73E48.2Very low48.3Very low136 Ų136139.8 Ų139.864%0.63676%0.76SS**  trans-89.2113.6-172.9-179.4172.6176.100110.5D75E73-D75 VanDerWaalsContact C-N 3.25Å; E73-D75 HydrophobicContact CG-CB 4.49Å; E73-D75 PolarHBondContact O-N 3.26Å
74P53.4Low46.4Very low117 Ų117141.9 Ų141.976%0.7677%0.768SS**  trans-78.278.9173.632.4-34.6000110.3D72 V76D72-P74 VanDerWaalsContact O-CD 3.31Å; D72-P74 WeakPolarHBondContact O-CD 3.25Å; P74-V76 PolarHBondContact O-N 3.32Å
75D43.9Very low45.2Very low125 Ų125143.1 Ų143.167%0.66877%0.774SS**  trans-71.483.8179.1-152.9-4.2000110.8E73E73-D75 VanDerWaalsContact C-N 3.25Å; E73-D75 HydrophobicContact CG-CB 4.49Å; E73-D75 PolarHBondContact O-N 3.26Å
76V39.8Very low44.1Very low133 Ų133142.7 Ų142.781%0.80678%0.775SS**  trans-113.289.6173.2-176.60000110.7P74P74-V76 PolarHBondContact O-N 3.32Å
77W32.9Very low42.8Very low212 Ų212145.6 Ų145.680%0.80378%0.775SS**  trans-43.4136.2175.9-166.3-85.7000115.2
78S36.4Very low41.4Very low112 Ų112147 Ų14778%0.78378%0.775SS**  trans-89.911917945.50000113.3
79K34.2Very low40.6Very low180 Ų180150.2 Ų150.278%0.78378%0.782SS**  trans-162.2129.1163.5-139.2171.9179.3177.80105.9
80T32.4Very low40.2Very low114 Ų114147.7 Ų147.770%0.69978%0.776SS**  -169.4136.657-51.70000109.9
81E29.6Very low39.5Very low180 Ų180147.7 Ų147.784%0.84177%0.771SS**  trans42.2140.9146.6-141.6155.3126.800122.7
82P44.2Very low38.8Very low121 Ų121149 Ų14979%0.78677%0.772SS**  trans-89.6149.9-175.236.1-34.5000114
83Q34.9Very low38Very low198 Ų198151.3 Ų151.393%0.92578%0.775SS**  trans-146.1136.6165.5-132.8179.919.500113.2
84D36.3Very low37.4Very low150 Ų150152.1 Ų152.180%0.80278%0.783SS**  trans-71.8127-177.9-64.5-73.3000114
85Q36.6Very low36.3Very low182 Ų182154.3 Ų154.385%0.8578%0.783SS**  trans-162.7109.4135.4-121.3148.1102.300116.3
86I37.9Very low35.9Very low151 Ų151153.8 Ų153.877%0.77479%0.79SS**  11.6121.7129.8-38.1175.1000116.4
87R32Very low35.4Very low214 Ų214150.7 Ų150.781%0.80879%0.785SS**  159.6115.7107.4-164.3166.6-171.2171.30.1115.8
88N31Very low35.7Very low130 Ų130146 Ų14670%0.69578%0.784SS**  trans46130.7142.1-48.60.7000123.3
89V40.5Very low35.6Very low125 Ų125148 Ų14876%0.75879%0.785SS**  trans-66.1152.1152.3-140.20000110.9
90P45.9Very low36Very low113 Ų113149 Ų14973%0.73478%0.784SS**  -136.5150.690.227.2-8.1000112.5
91T36.6Very low36.2Very low115 Ų115151 Ų15171%0.70679%0.789SS**  69.682.660-47.40000115.2
92E36.8Very low36.4Very low177 Ų177147.1 Ų147.183%0.82778%0.782SS**  trans-156.9111.7151.6-59.6-59.4167.900105.2
93K35.4Very low35.8Very low192 Ų192147.4 Ų147.484%0.83578%0.781SS**  68.1107.569.7-149.3-171.5-172.7-167.90115.3
94L34.9Very low35.7Very low153 Ų153145.9 Ų145.980%0.80178%0.779SS**  trans157.7112.7153.1-86.6158.9000106.5
95E31.1Very low35.6Very low163 Ų163145 Ų14576%0.76278%0.779SS**  88.8117.862.9-170.9165.4-178.900113.8
96S33.9Very low35.8Very low115 Ų115142.1 Ų142.180%0.80478%0.776SS**  trans41.5125.6157.2-61.60000121.4
97G30.1Very low35.6Very low68 Ų68143.4 Ų143.470%0.70178%0.778SS**  trans16087.814900000118.7L99G97-L99 PolarHBondContact O-N 2.86Å
98S39.1Very low35.6Very low114 Ų114139.2 Ų139.280%0.79778%0.777SS**  trans0.3113.2146.6-174.20000118.2
99L35.2Very low35.7Very low154 Ų154139.4 Ų139.481%0.80678%0.783SS**  trans-127.793.3159.6-80177.8000112.5G97G97-L99 PolarHBondContact O-N 2.86Å
100R41.2Very low35.4Very low200 Ų200138.1 Ų138.176%0.75579%0.785SS**  trans-20.5134152.962.3-136.7-142.3-142.35.8116.8
101I36.5Very low34.8Very low156 Ų156140.5 Ų140.580%0.879%0.792SS**  trans-61.3141.3163.2-61.3160.6000108.9T103I101-T103 HydrophobicContact CG2-CG2 4.45Å
102S35.3Very low35.3Very low99 Ų99140 Ų14069%0.69279%0.791SS**  trans-133.595.4168.5-69.80000109.9
103T30.1Very low35.6Very low126 Ų126138 Ų13877%0.77379%0.793SS**  trans-68.5130.9161.645.80000109.3I101I101-T103 HydrophobicContact CG2-CG2 4.45Å
104L33.2Very low35.5Very low167 Ų167134.7 Ų134.787%0.87479%0.794SS**  trans-126.5126.6165.3-73.4176.9000110
105T33.4Very low35.6Very low131 Ų131132.3 Ų132.380%0.80480%0.797SS**  trans-93167.4173.636.90000110.7
106P42.2Very low35.5Very low122 Ų122128.4 Ų128.479%0.79280%0.8SS**  trans-94.9170-152.837.1-37.3000115.3
107H33.3Very low35.2Very low177 Ų177128.7 Ų128.782%0.81980%0.8SS**  trans-141.3102.4163.454.6-89000113.5
108T32.6Very low35.2Very low127 Ų127133.4 Ų133.478%0.77980%0.804SS**  trans16.9116.5136.2-47.60000121.7
109T33.2Very low35Very low133 Ų133133.2 Ų133.282%0.81680%0.798SS**  trans67.1120.7134.5-52.60000123.6
110A34.5Very low34.8Very low98 Ų98134 Ų13481%0.8180%0.798SS**  trans-159.3146.2131.800000111.3
111D31.8Very low34.5Very low163 Ų163132.1 Ų132.187%0.87280%0.797SS**PPolyproline II helixtrans-85.6167.2-175.6-106.4-34.4000114.8
112P47.8Very low34.4Very low106 Ų106134.1 Ų134.169%0.68880%0.803SS**PPolyproline II helixtrans-101.1166.5-171.339.9-36.5000115.8
113P43.7Very low34.3Very low133 Ų133134 Ų13486%0.86481%0.808SS**PPolyproline II helixtrans-92.5165.6165.536.4-32.5000113.7
114S32.8Very low34.3Very low123 Ų123132.9 Ų132.986%0.8681%0.811SS**  trans-128.6178.7-164.3-175.70000114.3
115A36.3Very low34.3Very low104 Ų104131.8 Ų131.886%0.8681%0.806SS**  trans77.9139.2177.700000116.7
116G30.3Very low34.3Very low80 Ų80133.1 Ų133.183%0.82580%0.803SS**  cis171.4176.9-100000107.9
117C26.8Very low34Very low121 Ų121134 Ų13482%0.81880%0.801SS**  cis-155.7174-8.4-161.20000105.9
118E30.8Very low33.9Very low167 Ų167135.4 Ų135.478%0.7880%0.801SS**  176.9140.373.4-83.8-165.7134.900110.5
119T34.6Very low33.9Very low110 Ų110135.1 Ų135.168%0.67580%0.795SS**  trans50.5144130.1-20.60000120.6
120E29.7Very low34.1Very low172 Ų172134.5 Ų134.580%0.80479%0.793SS**  cis-156.7179.520.8-155161.1159.700112.7
121H35.8Very low34Very low160 Ų160138.1 Ų138.174%0.74179%0.793SS**  trans-91.1164-165.3-57.8-96000116.3
122H33.9Very low33.9Very low198 Ų198135.8 Ų135.892%0.91779%0.79SS**  -169.5160.6115.4-94.1-60.2000111.8
123A33.5Very low33Very low97 Ų97135.1 Ų135.180%0.80279%0.793SS**  trans-132.4161.3-162.400000113.7
124A30.2Very low32.4Very low101 Ų101134 Ų13484%0.83579%0.788SS**  trans-162.6135.1145.300000112.3
125N32.5Very low32.3Very low144 Ų144134.9 Ų134.977%0.7779%0.789SS**  trans-77.2163.2169.3-67.5-78.1000111
126Q34.7Very low32.1Very low160 Ų160135.4 Ų135.475%0.74879%0.786SS**  -175.2152.2100.7-88.4-48.6-16.800113.5
127N34.6Very low32Very low139 Ų139136 Ų13674%0.74378%0.783SS**  trans-113.2128.5-179.417017.2000109.1
128Y31.5Very low32.2Very low207 Ų207137.7 Ų137.781%0.81279%0.789SS**  trans-143.8131171.5-88.1-72.2000115.6
129N33.3Very low32Very low122 Ų122132.6 Ų132.665%0.65278%0.782SS**  trans-76.4143.2170.1168.948.1000111.9
130P38.2Very low32Very low120 Ų120136.7 Ų136.778%0.77980%0.796SS**  trans-94.6119.8171.433.9-29.2000112.9
131Q30.4Very low32.5Very low173 Ų173138 Ų13881%0.80880%0.799SS**  trans-126.5137.8159.8-113.4-173.3-5100111.1
132S30.5Very low32.2Very low115 Ų115137.7 Ų137.780%0.80480%0.803SS**  trans-8.6139.5172.7-500000122.2
133A28.5Very low32.3Very low91 Ų91135.1 Ų135.175%0.75280%0.801SS**  125.2112.4126.600000118.3
134S30.5Very low32.3Very low110 Ų110138.3 Ų138.377%0.76980%0.799SS**  trans45.5129.5136.4-54.80000122.7
135T31.5Very low32.3Very low142 Ų142139.9 Ų139.987%0.87180%0.798SS**  -177.2155109.926.60000113.9
136S31.8Very low32.7Very low114 Ų114141.1 Ų141.180%0.79780%0.799SS**  trans61.5107.7155.3-158.60000119.1
137A27.6Very low32.7Very low93 Ų93139.7 Ų139.777%0.76980%0.797SS**  cis92.193.842.200000116
138V31.4Very low32.9Very low156 Ų156141.3 Ų141.395%0.94581%0.805SS**  trans-152.6135.8145.2-1770000104.3
139G27.3Very low32.8Very low61 Ų61134.4 Ų134.463%0.62980%0.797SS**  cis15377.95.100000108.3
140M34.5Very low32.8Very low196 Ų196135.7 Ų135.797%0.96681%0.808SS**  trans-98.7155.8176.9-63.3-158.77900111
141K40.9Very low32.7Very low198 Ų198138.2 Ų138.286%0.86181%0.81SS**  trans-110.2149.7-161.6-51.8177.1-173.2179.30111
142D29.7Very low32.9Very low155 Ų155136.4 Ų136.483%0.82981%0.811SS**  trans-54.7148.6-172.3-60.1-82.6000116.1
143V36.1Very low32.9Very low144 Ų144137.8 Ų137.887%0.87381%0.809SS**  trans-126.8127.5142.6167.30000107.4
144E31.5Very low34.1Very low164 Ų164138.4 Ų138.477%0.76681%0.806SS**  trans-78.2153.6-169.2-152.3169.1128.800112
145T32.1Very low34.1Very low133 Ų133137.8 Ų137.882%0.81680%0.801SS**  trans-138.1114.7166.1-58.30000108.1
146E39.7Very low33.9Very low170 Ų170137.6 Ų137.679%0.79480%0.799SS**  trans-118.6139171.3-82.6-72.4141.200108.7
147D34.3Very low34Very low130 Ų130136.7 Ų136.770%0.69579%0.793SS**  trans-113.8137-174.6167.641.9000110G149D147-G149 PolarHBondContact OD1-N 3.07Å
148L38.9Very low34Very low174 Ų174139.8 Ų139.891%0.91180%0.797SS**  trans-146.997.8159.9-75.9-176.6000108.8
149G29.8Very low34.1Very low62 Ų62137.2 Ų137.264%0.63979%0.786SS**  trans-80.8-177-179.900000115.4D147D147-G149 PolarHBondContact OD1-N 3.07Å
150V34.4Very low34.1Very low149 Ų149137.1 Ų137.190%0.90379%0.785SS**  trans-142.9137.6151.7128.90000109.5
151E35Very low33.9Very low172 Ų172137.9 Ų137.980%0.80478%0.779SS**  trans-83.5141.5-176.2-177.4-164.2150.200111.7
152T33.9Very low33.3Very low136 Ų136133.5 Ų133.583%0.83477%0.769SS**  trans-169.7116.7137.19.70000112.8
153D32.3Very low33.2Very low144 Ų144132.7 Ų132.777%0.7777%0.769SS**  trans-75.8-179.1162.7-118.2-26.5000110.5
154P52.1Low32.8Very low104 Ų104131 Ų13168%0.67576%0.763SS**  cis-141-175.9-13.531.2-8000115.7
155S31.2Very low33.2Very low97 Ų97127.5 Ų127.568%0.67876%0.758SS**  102.6129.3124.8-123.60000124.6
156V27.9Very low33.4Very low137 Ų137126.8 Ų126.883%0.8376%0.758SS**  trans62.2136.9146.1-68.20000125.5
157S34Very low33Very low96 Ų96125.6 Ų125.667%0.67176%0.757SS**  trans-66.8155.4170-36.80000115.2
158N27.5Very low33.2Very low157 Ų157128.3 Ų128.384%0.8476%0.762SS**  170.5149.3104.1-91.5-34.3000116
159S32.7Very low32.8Very low103 Ų103124.7 Ų124.772%0.7275%0.748SS**  trans56.9105.6140.2-178.10000121.8
160G28.1Very low33Very low59 Ų59127.3 Ų127.361%0.60875%0.752SS**  75.3153.399.300000121.4
161Y29.5Very low32.7Very low212 Ų212127.7 Ų127.783%0.83175%0.748SS**  trans61.6157169.184.7-101.7000117.5
162T29.4Very low32.8Very low106 Ų106125 Ų12565%0.6574%0.744SS**  cis-163.6173.5-29.329.30000106.8
163T27.2Very low33Very low138 Ų138124.2 Ų124.285%0.84774%0.744SS**  trans71.8161.6167.682.10000115
164S28.3Very low33.4Very low107 Ų107124.8 Ų124.875%0.74874%0.739SS**  cis-147158.97-1740000111.4
165S39.5Very low32.6Very low92 Ų92129 Ų12964%0.64375%0.748SS**  trans-66.6151.4158.91780000111.7
166S35.4Very low32.8Very low117 Ų117129.7 Ų129.782%0.81874%0.743SS**  trans-168.8138.8138.3-80.80000113.2
167D31.4Very low33.1Very low146 Ų146127 Ų12778%0.78174%0.743SS**  trans-68.9158.1169.4-52.3-93.7000114.1
168K37.8Very low33Very low186 Ų186129.3 Ų129.381%0.80975%0.748SS**  173126.4120.9-97.1-158.7153.7-167.90111.9
169T30.9Very low33.6Very low99 Ų99128.2 Ų128.261%0.60774%0.742SS**  51.8139.985.676.40000115
170T34.5Very low33.6Very low117 Ų117131.2 Ų131.272%0.71874%0.744SS**  cis179142-4.125.90000106.9
171D29.1Very low34Very low156 Ų156135.3 Ų135.383%0.83475%0.751SS**  trans-174.2119.6146.8-132.615.2000106.9
172V36.3Very low34.1Very low116 Ų116133.6 Ų133.670%0.70375%0.751SS**  cis83.296.735.3-170.50000114.8
173S37.2Very low34.7Very low119 Ų119136.4 Ų136.483%0.83276%0.762SS**  trans-176.2160.413750.10000110.5
174K40.6Very low35Very low157 Ų157135.7 Ų135.768%0.68376%0.757SS**  -170.4132.5-52.6166167.7176.4170.70107.1D176K174-D176 WeakPolarHBondContact CE-OD2 3.21Å; K174-D176 IonicContact NZ-OD2 2.72Å
175F35.1Very low35.3Very low193 Ų193136.2 Ų136.285%0.84676%0.756SS**  trans171.5105.1147.4-117.5-99.3000106
176D35.3Very low35.2Very low110 Ų110139.1 Ų139.159%0.58876%0.764SS**  87.4125.766.6-75.5-46.4000113.3K174K174-D176 WeakPolarHBondContact CE-OD2 3.21Å; K174-D176 IonicContact NZ-OD2 2.72Å
177G34.7Very low35.4Very low80 Ų80139.7 Ų139.783%0.82577%0.768SS**  trans110.2120.2174.500000115.3
178D32.5Very low35.4Very low145 Ų145136.2 Ų136.278%0.77577%0.767SS**  cis175.2164.8-26-177.421.2000105.5
179L40.8Very low35.4Very low135 Ų135135.5 Ų135.571%0.70777%0.772SS**  trans79.985.2168.3-50.2-177.2000120.2
180E32.3Very low35.6Very low166 Ų166134.7 Ų134.778%0.77678%0.775SS**  43.3127.7121.9-61.2-159.1131.600124.5
181L37Very low36.2Very low144 Ų144134.3 Ų134.375%0.75478%0.778SS**  49.5117.5128.9-61.6165.7000120.5
182E31.3Very low37Very low177 Ų177135.9 Ų135.983%0.82778%0.78SS**  -174.2170.185.7-93-149144.900112.2
183N41.5Very low37.5Very low165 Ų165137.3 Ų137.388%0.88278%0.783SS**  trans-117.2101.6-169.5-172.735000109.9
184V33.1Very low38.1Very low123 Ų123137.9 Ų137.975%0.74578%0.777SS**  trans-133.8142.9-177.5-169.90000112.8
185T34Very low38.7Very low118 Ų118137.9 Ų137.972%0.72478%0.784SS**  trans-69.3147.6-174.751.40000115.8
186N38.8Very low39.4Very low153 Ų153135.3 Ų135.382%0.81878%0.779SS**  trans28.1112.2147.5-61.3-17.2000119.6
187S38.2Very low40.9Very low128 Ų128137.6 Ų137.690%0.89579%0.789SS**  164.4154.1128.947.20000112.9
188G33.2Very low42.2Very low74 Ų74140.9 Ų140.976%0.76379%0.787SS**  trans81.1111.617600000113.3
189D36.9Very low44Very low171 Ų171138.4 Ų138.491%0.91478%0.778SS**  cis78.3146.549.4-16325.7000114.3
190A35.7Very low45.4Very low81 Ų81135.1 Ų135.167%0.66977%0.765SS**  trans103.2115.3174.700000118.7
191S46.6Very low47.2Very low110 Ų110131.5 Ų131.577%0.76976%0.756SS**  trans78.472.8156.164.50000119.6
192E44.9Very low48.6Very low189 Ų189130.7 Ų130.788%0.88376%0.758SS**SBendtrans-86.4144.6132.467.9-175.314400109.6D194E192-D194 PolarHBondContact O-N 3.38Å
193N47.7Very low50.3Low145 Ų145129.8 Ų129.878%0.77576%0.758SS**  trans-8095.8-171.1-68.812000111.5L195N193-L195 PolarHBondContact O-N 3.5Å; N193-L195 VanDerWaalsContact O-N 3.07Å
194D50.8Low51.1Low131 Ų131129.5 Ų129.570%0.70175%0.75SS**  trans17.283.3130.2-16526000115.5E192E192-D194 PolarHBondContact O-N 3.38Å
195L52.6Low52.8Low158 Ų158131.7 Ų131.783%0.82774%0.744SS**  trans-110.196.6156.5-74.7177.5000106.6N193 I197N193-L195 PolarHBondContact O-N 3.5Å; N193-L195 VanDerWaalsContact O-N 3.07Å; L195-I197 PolarHBondContact O-N 3.32Å
196D49.7Very low54.5Low139 Ų139133.9 Ų133.974%0.74375%0.752SS**  trans-43.197172.8-89.3-49.9000111.6I198D196-I198 VanDerWaalsContact C-N 3.27Å; D196-I198 PolarHBondContact O-N 3.39Å
197I65.9Low55.9Low157 Ų157135.2 Ų135.281%0.80575%0.753SS**  trans-72.792.1165.9-62.3173.2000105.4L195 P199L195-I197 PolarHBondContact O-N 3.32Å; I197-P199 VanDerWaalsContact O-CD 3.25Å; I197-P199 WeakPolarHBondContact O-CD 3.23Å
198I62.9Low56.9Low149 Ų149134.6 Ų134.676%0.76475%0.746SS**  trans-51.2113.7174.6-58.6175.3000107.4D196D196-I198 VanDerWaalsContact C-N 3.27Å; D196-I198 PolarHBondContact O-N 3.39Å
199P70.5Confident57.8Low93 Ų93139.5 Ų139.560%0.60475%0.749SS**PPolyproline II helixtrans-63.9147.5-179.125.7-33.2000109.2I197I197-P199 VanDerWaalsContact O-CD 3.25Å; I197-P199 WeakPolarHBondContact O-CD 3.23Å
200P70.1Confident58.7Low66 Ų66136.4 Ų136.443%0.42974%0.738SS.*PPolyproline II helixtrans-57.1144.9176.126-34.4000109.8F204P200-F204 HydrophobicContact CB-CB 4.36Å
201P70.2Confident59Low90 Ų90140.4 Ų140.458%0.58475%0.748SS**PPolyproline II helixtrans-54.8146.4-178.420.3-30.7000111D203 F204P201-D203 PolarHBondContact O-N 3.09Å; P201-F204 HydrophobicContact CG-CD2 4Å; P201-F204 HydrophobicContact CG-CE2 4.47Å; P201-F204 PolarHBondContact O-N 3.38Å
202T66Low59.1Low128 Ų128142.8 Ų142.879%0.78575%0.751SS**G310 helixtrans-54.3-25.3-166.5-36.50000114.5F204 R205T202-F204 PolarHBondContact O-N 2.72Å; T202-F204 VanDerWaalsContact O-N 3.15Å; T202-R205 PolarHBondContact O-N 2.8Å
203D66.4Low59.2Low158 Ų158138.9 Ų138.985%0.84574%0.742SS**G310 helixtrans-62.8-10.2173.1-131.127.8000114.4P201P201-D203 PolarHBondContact O-N 3.09Å
204F59Low59.1Low159 Ų159138 Ų13870%0.69775%0.745SS**G310 helixtrans-119.619.3179.1-69-94.8000112.8P200 P201 T202P200-F204 HydrophobicContact CB-CB 4.36Å; P201-F204 HydrophobicContact CG-CD2 4Å; P201-F204 HydrophobicContact CG-CE2 4.47Å; P201-F204 PolarHBondContact O-N 3.38Å; T202-F204 PolarHBondContact O-N 2.72Å; T202-F204 VanDerWaalsContact O-N 3.15Å
205R67.9Low58.7Low169 Ų169141.4 Ų141.464%0.63876%0.756SS**SBendtrans-108.4110.1169.9-60.5-108.474.8-173.72.3106.9T202 E207T202-R205 PolarHBondContact O-N 2.8Å; R205-E207 PolarHBondContact O-N 3.2Å
206D69.9Low58.2Low164 Ų164137.9 Ų137.988%0.87775%0.75SS**PPolyproline II helixtrans-56.5124.7165.2-61.5-53.3000107.7
207E69.7Low57.8Low181 Ų181139.6 Ų139.685%0.84676%0.756SS**PPolyproline II helixtrans-67.3127.2-178.1-169.6177.6-134.900108.9R205 E209R205-E207 PolarHBondContact O-N 3.2Å; E207-E209 PolarHBondContact O-N 3.36Å; E207-E209 VanDerWaalsContact O-N 3.16Å
208P58.8Low56.5Low114 Ų114139.3 Ų139.374%0.7476%0.762SS**PPolyproline II helixtrans-66.9117.1175.227.1-32.4000109.2
209E52.3Low55.6Low177 Ų177138.8 Ų138.883%0.82777%0.765SS**PPolyproline II helixtrans-53.1130.8173.3-171172.1-162.400109.7E207 D211E207-E209 PolarHBondContact O-N 3.36Å; E207-E209 VanDerWaalsContact O-N 3.16Å; E209-D211 PolarHBondContact O-N 3.39Å; E209-D211 VanDerWaalsContact O-N 3.13Å
210P55.2Low54Low106 Ų106140.8 Ų140.869%0.68878%0.775SS**  trans-70.6112.5-175.526.3-33.4000111.1L212P210-L212 PolarHBondContact O-N 3.07Å; P210-L212 VanDerWaalsContact O-N 3.09Å
211D42.2Very low53Low165 Ų165142.8 Ų142.888%0.88279%0.788SS**  trans-50.6113.2171.8-79.7-47.6000111.2E209E209-D211 PolarHBondContact O-N 3.39Å; E209-D211 VanDerWaalsContact O-N 3.13Å
212L48.9Very low51.9Low160 Ų160144 Ų14484%0.83880%0.796SS**PPolyproline II helixtrans-82.9126.7169-69.3176.7000109.7P210P210-L212 PolarHBondContact O-N 3.07Å; P210-L212 VanDerWaalsContact O-N 3.09Å
213P46Very low51Low107 Ų107144 Ų14470%0.69580%0.798SS**PPolyproline II helixtrans-70160.4-178.528.5-34.8000112.6E215P213-E215 PolarHBondContact O-N 2.98Å
214P46.7Very low49.6Very low128 Ų128145 Ų14583%0.83180%0.798SS**PPolyproline II helixtrans-79.6118.9-164.830.6-35.5000113.3
215E41.9Very low48.7Very low201 Ų201143.5 Ų143.594%0.93980%0.802SS**PPolyproline II helixtrans-83.9127.6157.7-72.4-147.4135.500110.5P213P213-E215 PolarHBondContact O-N 2.98Å
216A41.1Very low47.2Very low84 Ų84143.8 Ų143.869%0.69481%0.813SS**PPolyproline II helixtrans-98.4161-174.100000112.3
217M41.9Very low45.7Very low176 Ų176142.2 Ų142.287%0.86781%0.809SS**  trans79.2103.8160.6-47.6-162.9176.700117.9
218T38.5Very low44.2Very low150 Ų150142.1 Ų142.192%0.9281%0.811SS**  -155.2134.51129.20000110.7
219V43.4Very low43Very low138 Ų138142.1 Ų142.184%0.83681%0.808SS**  trans-111.6122.7-175.7170.20000109.6
220V37.1Very low42.6Very low135 Ų135138.8 Ų138.882%0.81880%0.802SS**  trans-146.6133.1161-174.80000109.3
221P49.7Very low42Very low108 Ų108139.4 Ų139.470%0.70181%0.806SS**PPolyproline II helixtrans-88.6171.8-173.736.3-37.4000114.4
222P46.6Very low42.2Very low117 Ų117137.7 Ų137.776%0.7680%0.804SS**PPolyproline II helixtrans-87.5151.7-172.735.1-35.8000114.1
223P47Very low41.5Very low127 Ų127139.1 Ų139.183%0.82581%0.806SS**PPolyproline II helixtrans-93.1159.416835.9-32.4000113.3
224E36.8Very low40.9Very low178 Ų178140.3 Ų140.383%0.83281%0.812SS**PPolyproline II helixtrans-93.6172.4-163.6-58.1173.2136.200114.8
225T40.3Very low40.4Very low128 Ų128141.7 Ų141.779%0.78581%0.809SS**PPolyproline II helixtrans-59.7130.7170.448.20000113.3
226M37.8Very low39.8Very low176 Ų176137.7 Ų137.787%0.86780%0.799SS**  trans-138.7129.9157-79.3-61.815400112.7
227T38.8Very low39.7Very low130 Ų130141 Ų14180%0.79881%0.81SS**  trans-76.3140.4174.4-52.40000111
228M36.6Very low39.3Very low180 Ų180141.8 Ų141.889%0.88781%0.812SS**  trans-147.4150.5156.6-113.6-164.375.900113.4
229V35Very low39.2Very low113 Ų113139 Ų13969%0.68580%0.803SS**  trans-107-167.2-171.8-154.30000109.3
230P44Very low38.8Very low108 Ų108138.3 Ų138.370%0.70180%0.8SS**  -96176.7-116.440.2-25.1000115.6
231P41.9Very low38.5Very low118 Ų118137.8 Ų137.877%0.76680%0.797SS**PPolyproline II helixtrans-76.5157.6168.132.5-35.5000113.4
232P46.1Very low37.7Very low129 Ų129138.5 Ų138.584%0.83880%0.799SS**PPolyproline II helixtrans-90.3167.1-166.336.1-37.8000116.4
233E34.2Very low37Very low190 Ų190139.5 Ų139.589%0.88880%0.803SS**PPolyproline II helixtrans-76159.9-175.3-53.2175.2147.400115
234T34.5Very low36.3Very low132 Ų132141.2 Ų141.281%0.8180%0.804SS**  trans-137.7118161.956.30000113.3
235M34.4Very low37.2Very low157 Ų157137.8 Ų137.877%0.77380%0.797SS**  trans62.791.2145-56.9-79.688.200120.1
236T30Very low37.6Very low117 Ų117137.9 Ų137.972%0.71880%0.8SS**  27.9121.1118.457.20000120.5
237V39.4Very low37.2Very low153 Ų153138.6 Ų138.693%0.92780%0.801SS**  -144.1150.5129.3-87.10000109.6
238E34.2Very low37Very low194 Ų194136.6 Ų136.691%0.90780%0.798SS**  trans-86.9156.1-167.3-50.9-179.3127.500113.7
239A34.5Very low36.9Very low91 Ų91134.3 Ų134.375%0.75279%0.794SS**  160.4125.2116.200000114.6
240T35.2Very low36.8Very low124 Ų124132.7 Ų132.776%0.76179%0.793SS**  trans71.988.2140.1-45.50000121.4
241T31.4Very low36.3Very low124 Ų124135.1 Ų135.176%0.76180%0.798SS**  59.4131.7118.1-310000122.9
242V33.5Very low35.8Very low122 Ų122136.3 Ų136.374%0.73980%0.803SS**  trans128.295139-176.40000116
243V31.7Very low35.2Very low138 Ų138135.2 Ų135.284%0.83680%0.798SS**  trans61.5144.5131.2-174.50000121.9
244L33Very low35.9Very low164 Ų164131.8 Ų131.886%0.85979%0.792SS**  trans-101.2-174.9-174.3-117.998.6000113.1
245P55Low36.2Very low105 Ų105131.6 Ų131.668%0.68279%0.794SS**  trans-100.3-162.6-142.144.9-41.8000115.3
246P48.4Very low36Very low130 Ų130129.1 Ų129.184%0.84479%0.792SS**  -153.5-163.485.141.2-19000117.7
247E29.7Very low36.2Very low191 Ų191130.5 Ų130.589%0.89380%0.795SS**  trans-76.1-180-164-71.4-175.887.800121.1
248A34.9Very low35.7Very low88 Ų88131.3 Ų131.373%0.72779%0.794SS**  trans102.5147.1152.600000116.6
249T34.5Very low35.8Very low132 Ų132131 Ų13181%0.8179%0.79SS**  cis-161.8163.814.9-21.50000112.6
250A32.3Very low35.8Very low79 Ų79133.3 Ų133.365%0.65380%0.795SS**  trans50.4118.7149.300000121.4
251I33.4Very low36Very low160 Ų160136.1 Ų136.182%0.82180%0.799SS**  65.2115.679.3-60.1165.5000115.5
252V31.8Very low36.2Very low142 Ų142139.1 Ų139.186%0.86181%0.805SS**  trans-170.8150.9138.6142.20000109.6
253S33.6Very low36.5Very low107 Ų107142.1 Ų142.175%0.74881%0.808SS**  trans-108-175.8-166.6-51.90000112.8
254P49.4Very low37Very low117 Ų117146.9 Ų146.976%0.7681%0.811SS**  trans-98.1-175.5-146.442.2-41.7000115.9
255P39.5Very low37.4Very low129 Ų129145.2 Ų145.284%0.83881%0.808SS**  -130.8175.4129.238.8-29.7000114.9
256S31.4Very low37Very low105 Ų105146.3 Ų146.373%0.73481%0.812SS**  trans-86.2160.5-157.3-48.30000117.6
257N33.3Very low37Very low145 Ų145144.2 Ų144.278%0.77579%0.794SS**  trans36124.3140.5-56.7-5.3000120.4
258D28.7Very low38.2Very low170 Ų170139.3 Ų139.391%0.90978%0.777SS**  -146.5149122-116.4-29.7000112.2
259F36Very low39Very low189 Ų189139.6 Ų139.683%0.82976%0.763SS**  trans-88137.7-176.1-105.1-106.3000111.6
260T34.5Very low40Very low139 Ų139138.2 Ų138.285%0.85375%0.747SS**  trans-144.7135.7145.434.60000110.3
261E40.2Very low40.7Very low183 Ų183141.1 Ų141.186%0.85575%0.749SS**  trans-70.3141.8176.7-60.9-170.8127.300111.4
262Q35.6Very low42Very low187 Ų187141.2 Ų141.287%0.87474%0.739SS**  trans-129.5107.5164.8-153.6171.940.900111.5R264Q262-R264 PolarHBondContact O-N 2.93Å
263K40.7Very low43.5Very low185 Ų185141 Ų14180%0.80473%0.732SS**  trans-55.3119.8172.2-66.7176.8176.3179.20109.9T265K263-T265 PolarHBondContact O-N 2.68Å
264R40.7Very low44.2Very low237 Ų237144.9 Ų144.989%0.89473%0.731SS**  trans-83.594.6161.7-78.8-164.7-177.395.71.7109.6Q262 V266Q262-R264 PolarHBondContact O-N 2.93Å; R264-V266 PolarHBondContact O-N 3.02Å
265T42.8Very low44.2Very low130 Ų130143.6 Ų143.680%0.79873%0.73SS**  trans-67.9112.515847.60000108.5K263 D267K263-T265 PolarHBondContact O-N 2.68Å; T265-D267 PolarHBondContact O-N 3.44Å
266V45.3Very low44.7Very low128 Ų128142.3 Ų142.378%0.77672%0.724SS**  trans-75121.3171174.10000108.4R264 V268R264-V266 PolarHBondContact O-N 3.02Å; V266-V268 PolarHBondContact O-N 2.9Å
267D49.5Very low45.1Very low85 Ų85143.4 Ų143.446%0.45573%0.726SS.*  trans-69.5113.8179.417420000111.1T265 E269 Q270T265-D267 PolarHBondContact O-N 3.44Å; D267-E269 VanDerWaalsContact C-N 3.29Å; D267-E269 PolarHBondContact O-N 2.81Å; D267-E269 PolarHBondContact OD1-N 2.85Å; D267-Q270 WeakPolarHBondContact OD2-CG 3.43Å
268V54.9Low45.3Very low89 Ų89146.1 Ų146.154%0.53973%0.731SS.*SBendtrans-69-26.6-177.9177.20000111.8V266 M271V266-V268 PolarHBondContact O-N 2.9Å; V268-M271 PolarHBondContact O-N 3.26Å
269E51.7Low45.9Very low93 Ų93149 Ų14944%0.43573%0.729SS.*Hα-helixtrans-75.1-33.8-178.5-71.2-55.7142.100112.6D267 M271 R272 L273D267-E269 VanDerWaalsContact C-N 3.29Å; D267-E269 PolarHBondContact O-N 2.81Å; D267-E269 PolarHBondContact OD1-N 2.85Å; E269-M271 PolarHBondContact O-N 3.39Å; E269-M271 VanDerWaalsContact O-N 3.09Å; E269-R272 PolarHBondContact O-N 3.2Å; E269-R272 VanDerWaalsContact O-N 3.09Å; E269-R272 IonicContact OE1-CZ 2.81Å; E269-R272 IonicContact OE1-NH1 3.67Å; E269-R272 PolarHBondContact OE1-NH1 3.33Å; E269-R272 WeakPolarHBondContact OE2-CD 2.94Å; E269-R272 IonicContact OE2-NH1 3.16Å; E269-L273 PolarHBondContact O-N 3.33Å; E269-L273 VanDerWaalsContact O-N 3.13Å
270Q55.1Low45.7Very low103 Ų103145.3 Ų145.348%0.48173%0.726SS.*Hα-helixtrans-62.3-15.8171.7-91.9-157.555.200114.5D267 R274D267-Q270 WeakPolarHBondContact OD2-CG 3.43Å; Q270-R274 WeakPolarHBondContact O-CD 3.24Å; Q270-R274 WeakPolarHBondContact O-CG 3.49Å; Q270-R274 PolarHBondContact O-NE 3.24Å; Q270-R274 VanDerWaalsContact O-NE 3.09Å
271M46.8Very low45.6Very low141 Ų141144 Ų14470%0.69572%0.718SS**Hα-helixtrans-85.7-34.7173.3-167.3163.358.300112.2V268 E269V268-M271 PolarHBondContact O-N 3.26Å; E269-M271 PolarHBondContact O-N 3.39Å; E269-M271 VanDerWaalsContact O-N 3.09Å
272R59.9Low45.2Very low162 Ų162141.1 Ų141.161%0.61171%0.713SS**Hα-helixtrans-64.6-44172.5-81.2-176.4173123.42.8112.2E269 R274 A275E269-R272 PolarHBondContact O-N 3.2Å; E269-R272 VanDerWaalsContact O-N 3.09Å; E269-R272 IonicContact OE1-CZ 2.81Å; E269-R272 IonicContact OE1-NH1 3.67Å; E269-R272 PolarHBondContact OE1-NH1 3.33Å; E269-R272 WeakPolarHBondContact OE2-CD 2.94Å; E269-R272 IonicContact OE2-NH1 3.16Å; R272-R274 PolarHBondContact O-N 3.08Å; R272-A275 PolarHBondContact O-N 2.92Å; R272-A275 VanDerWaalsContact O-N 3.1Å
273L63.3Low45Very low136 Ų136138.6 Ų138.671%0.71271%0.705SS**THydrogen-bonded Turntrans-65.2-18.9-176.5-83.6151.3000114.3E269E269-L273 PolarHBondContact O-N 3.33Å; E269-L273 VanDerWaalsContact O-N 3.13Å
274R49Very low44.6Very low190 Ų190134.5 Ų134.572%0.71770%0.7SS**THydrogen-bonded Turntrans-87.2-11176.7-63.1173-162.3-136.60.6113.5Q270 R272Q270-R274 WeakPolarHBondContact O-CD 3.24Å; Q270-R274 WeakPolarHBondContact O-CG 3.49Å; Q270-R274 PolarHBondContact O-NE 3.24Å; Q270-R274 VanDerWaalsContact O-NE 3.09Å; R272-R274 PolarHBondContact O-N 3.08Å
275A49.1Very low44.2Very low90 Ų90128 Ų12874%0.74469%0.69SS**SBendtrans-96.2-5-175.500000114.5R272R272-A275 PolarHBondContact O-N 2.92Å; R272-A275 VanDerWaalsContact O-N 3.1Å
276S50.1Low43.4Very low101 Ų101128.3 Ų128.371%0.70669%0.693SS**  trans-121.684.7-173.8-159.60000113
277V39.5Very low42.7Very low129 Ų129127.2 Ų127.278%0.78270%0.697SS**  trans-125.190.7164.7-178.70000110
278K37.5Very low41.9Very low202 Ų202132 Ų13288%0.87872%0.717SS**  trans-160.2115.7135.1-109166.6-178-178.90110.5
279R41.5Very low40.6Very low229 Ų229135.5 Ų135.586%0.86473%0.732SS**  trans-64.6158.2164.9-68.1171.9-85.4157.1-5.7108.5
280S31.7Very low39.6Very low112 Ų112135.9 Ų135.978%0.78375%0.745SS**  cis-134.9149.931.147.10000111.9
281V33.2Very low38.3Very low113 Ų113135.9 Ų135.969%0.68576%0.757SS**  cis75.299.342.8179.20000113.6
282V31.3Very low37.6Very low121 Ų121134.1 Ų134.173%0.73376%0.758SS**  trans67135.3141.8169.20000118.2
283D30.6Very low36.2Very low135 Ų135136.1 Ų136.172%0.72277%0.771SS**  cis-163.2168.3-14.9-110.6-30.9000112.2
284S33.3Very low34.5Very low99 Ų99134 Ų13469%0.69277%0.774SS**  trans56.3107.1148.369.40000123.4
285S31.1Very low33.8Very low99 Ų99129.7 Ų129.769%0.69277%0.772SS**  59.1124.8123.167.50000124.8
286T27.8Very low32.9Very low137 Ų137132.4 Ų132.484%0.8477%0.774SS**  trans80.7135.2134.349.90000123.5
287A28.8Very low32.1Very low105 Ų105132 Ų13287%0.86878%0.778SS**  trans102.7131.915400000118.5
288E33.6Very low31.8Very low187 Ų187130.4 Ų130.487%0.87478%0.778SS**  trans-72.3152.8178.9-51.9-89.2113.100112.1
289D26.8Very low31.6Very low161 Ų161126.1 Ų126.186%0.86177%0.773SS**  172.8-178.3103.2-158.67.9000111.9
290S31.4Very low31.3Very low101 Ų101122.6 Ų122.671%0.70677%0.771SS**  trans-76.2154.3-152.8-136.60000120.6
291S28.2Very low31.4Very low103 Ų103124 Ų12472%0.7277%0.769SS**  85.7137.4129.4-158.10000123.7
292S31Very low31.7Very low105 Ų105124.1 Ų124.173%0.73477%0.772SS**  trans92.599.7143.771.20000123.3
293K30.9Very low31.9Very low203 Ų203125.5 Ų125.588%0.88377%0.77SS**  65.7119.5108.3-148.7179.8-170.3-177.40122.4
294A28.6Very low31.9Very low92 Ų92127.8 Ų127.876%0.7678%0.779SS**  trans67.4160.5150.400000118.3
295S34.2Very low32.1Very low99 Ų99129.6 Ų129.669%0.69278%0.781SS**  cis-156.2163.5-6.4-1310000111.4
296D30.6Very low32.4Very low147 Ų147130.4 Ų130.479%0.78678%0.784SS**  trans32.7125.9147-59.7-63.7000123.9
297A33.3Very low33Very low94 Ų94130 Ų13078%0.77778%0.783SS**  175.4104.9107.300000110.6
298A31.7Very low33.3Very low95 Ų95131.6 Ų131.679%0.78578%0.782SS**  5492.6100.100000114.2
299S33.3Very low33.3Very low112 Ų112131.1 Ų131.178%0.78378%0.78SS**  179.3157.699.7-70.60000109.9
300L35.1Very low34.1Very low155 Ų155129 Ų12981%0.81278%0.775SS**  cis-148.6-132-1.5-131.7171.1000111.8
301L35.5Very low34.5Very low141 Ų141130 Ų13074%0.73878%0.782SS**  trans-137.4173.4-174-75.9177.5000110.3
302P38.4Very low35.4Very low115 Ų115133.1 Ų133.175%0.74779%0.785SS**  cis-125.2142.113.235-16.2000115.5
303Q35.3Very low36.2Very low150 Ų150132.8 Ų132.870%0.70178%0.781SS**  61.8105.278.6-160.8-161.71500115.5
304M30.2Very low37.1Very low183 Ų183134.9 Ų134.990%0.90178%0.783SS**  trans-150.3133.1139-77.5-142.877.500109.7
305N37.9Very low38.6Very low137 Ų137136.4 Ų136.473%0.73378%0.778SS**PPolyproline II helixtrans-98.4150.8175.6-70.2-18000110.8
306P38.4Very low40.2Very low116 Ų116136.7 Ų136.775%0.75378%0.778SS**PPolyproline II helixtrans-94.4159.814534.1-27.4000111.4
307P39Very low41.8Very low128 Ų128135.2 Ų135.283%0.83178%0.776SS**PPolyproline II helixtrans-82.7155.7-160.331.8-36.6000115.8E309P307-E309 PolarHBondContact O-N 2.92Å
308T35.7Very low43.2Very low139 Ų139135.9 Ų135.985%0.85378%0.782SS**  trans-74.5113.6171.6-54.20000111.3
309E34.6Very low44.9Very low178 Ų178137.4 Ų137.483%0.83278%0.781SS**  trans-75.5140.1158.1-80.9-164.3135.600110.5P307 S311P307-E309 PolarHBondContact O-N 2.92Å; E309-S311 PolarHBondContact O-N 3.3Å
310P41.8Very low46.8Very low116 Ų116136 Ų13675%0.75378%0.776SS**  trans-68.9131.3171.829.6-33000110.1E312P310-E312 PolarHBondContact O-N 3.04Å
311S41.6Very low48.4Very low121 Ų121134.5 Ų134.585%0.84678%0.776SS**  trans-68.499178.547.20000111.5E309E309-S311 PolarHBondContact O-N 3.3Å
312E46.4Very low50.2Low170 Ų170136.8 Ų136.879%0.79478%0.779SS**  trans-63126.4171.1-168.1178.6-162.700109.5P310 R314P310-E312 PolarHBondContact O-N 3.04Å; E312-R314 PolarHBondContact O-N 3.41Å
313P47.5Very low51.7Low97 Ų97137.1 Ų137.163%0.6378%0.782SS**  trans-65.4112.4178.225.8-32.6000109N315P313-N315 VanDerWaalsContact C-N 3.28Å; P313-N315 PolarHBondContact O-N 3.26Å; P313-N315 PolarHBondContact O-ND2 3.23Å
314R50.2Low53.6Low248 Ų248139.5 Ų139.594%0.93679%0.79SS**  trans-61.185.2-178.8-173.1177.9-176.2160.92.5111.2E312E312-R314 PolarHBondContact O-N 3.41Å
315N59.9Low55.6Low124 Ų124140.5 Ų140.566%0.66379%0.789SS**PPolyproline II helixtrans-58.2146.3174.1-73.1-58.7000110.1P313P313-N315 VanDerWaalsContact C-N 3.28Å; P313-N315 PolarHBondContact O-N 3.26Å; P313-N315 PolarHBondContact O-ND2 3.23Å
316P67.6Low57.3Low105 Ų105140.5 Ų140.568%0.68279%0.789SS**PPolyproline II helixtrans-58.6154169.127.6-34.5000109.8A318P316-A318 PolarHBondContact O-N 2.86Å
317P63.9Low58.9Low116 Ų116138.9 Ų138.975%0.75378%0.778SS**PPolyproline II helixtrans-52.9135.4178.123.6-34.3000110.1V319P317-V319 PolarHBondContact O-N 3.12Å
318A63.5Low60.2Low108 Ų108139.4 Ų139.489%0.89379%0.785SS**  trans-62.594.5-174.300000111P316 A320P316-A318 PolarHBondContact O-N 2.86Å; A318-A320 PolarHBondContact O-N 3.48Å
319V67.9Low61.4Low127 Ų127138.8 Ų138.877%0.7778%0.776SS**PPolyproline II helixtrans-70.5122.5171.31800000107.3P317P317-V319 PolarHBondContact O-N 3.12Å
320A71.9Confident62.8Low81 Ų81134.8 Ų134.867%0.66976%0.759SS**PPolyproline II helixtrans-49.1131178.900000110.6A318 K322A318-A320 PolarHBondContact O-N 3.48Å; A320-K322 PolarHBondContact O-N 3.34Å
321P69.7Low63.8Low125 Ų125136 Ų13681%0.81276%0.758SS**PPolyproline II helixtrans-58.6125.8-17823-32.5000109.2
322K73.7Confident64.6Low188 Ų188137.7 Ų137.782%0.81776%0.757SS**PPolyproline II helixtrans-51.2134.7-176.8-69.6177.1179.8173.20109.6A320 K324A320-K322 PolarHBondContact O-N 3.34Å; K322-K324 PolarHBondContact O-N 2.74Å
323P68.5Low64.8Low123 Ų123138.5 Ų138.580%0.79976%0.758SS**PPolyproline II helixtrans-55.8126.7-179.522.4-32.9000109.6K325P323-K325 PolarHBondContact O-N 2.69Å
324K76.1Confident64.9Low200 Ų200139 Ų13987%0.8776%0.764SS**PPolyproline II helixtrans-58.5124.6176.3-72.3179.5176.7175.20107.8K322 L326K322-K324 PolarHBondContact O-N 2.74Å; K324-L326 PolarHBondContact O-N 2.99Å; K324-L326 VanDerWaalsContact O-N 3.09Å
325K72.1Confident64.5Low204 Ų204133.4 Ų133.489%0.88776%0.759SS**PPolyproline II helixtrans-58.1117.8175.5-70.7-179.9177.6179.20108.2P323P323-K325 PolarHBondContact O-N 2.69Å
326L72.8Confident63.5Low137 Ų137136.9 Ų136.972%0.71777%0.769SS**PPolyproline II helixtrans-59.2135.1170.5-64.3176.1000108.4K324 I330K324-L326 PolarHBondContact O-N 2.99Å; K324-L326 VanDerWaalsContact O-N 3.09Å; L326-I330 HydrophobicContact CB-CD1 4.03Å; L326-I330 HydrophobicContact CD1-CD1 4.34Å; L326-I330 HydrophobicContact CD2-CD1 3.89Å; L326-I330 HydrophobicContact CG-CD1 4.3Å
327P73.1Confident62.1Low82 Ų82136.8 Ų136.853%0.53277%0.77SS.*PPolyproline II helixtrans-69.3147.4178.633-37.1000109.7N329 I330P327-N329 VanDerWaalsContact CB-OD1 3.28Å; P327-N329 WeakPolarHBondContact CB-OD1 3.35Å; P327-N329 PolarHBondContact O-N 3.43Å; P327-I330 PolarHBondContact O-N 3.04Å
328S65.8Low61.1Low139 Ų139137.2 Ų137.297%0.97277%0.773SS**THydrogen-bonded Turntrans-65.22.2-165.6-38.90000116
329N61.2Low60.1Low126 Ų126138.4 Ų138.467%0.67477%0.769SS**THydrogen-bonded Turntrans-108.26.8-173.954.9-31.1000113.9P327 I331P327-N329 VanDerWaalsContact CB-OD1 3.28Å; P327-N329 WeakPolarHBondContact CB-OD1 3.35Å; P327-N329 PolarHBondContact O-N 3.43Å; N329-I331 PolarHBondContact O-N 2.95Å
330I63.7Low59.1Low93 Ų93139.4 Ų139.448%0.47777%0.77SS.*  trans-74.895.4166.8-54.9-174.8000109.2L326 P327 L332L326-I330 HydrophobicContact CB-CD1 4.03Å; L326-I330 HydrophobicContact CD1-CD1 4.34Å; L326-I330 HydrophobicContact CD2-CD1 3.89Å; L326-I330 HydrophobicContact CG-CD1 4.3Å; P327-I330 PolarHBondContact O-N 3.04Å; I330-L332 HydrophobicContact CG2-CD2 4.44Å; I330-L332 PolarHBondContact O-N 3.01Å; I330-L332 VanDerWaalsContact O-N 3.07Å
331I63Low57.6Low142 Ų142142.4 Ų142.473%0.72878%0.779SS**  trans-7299.5171.5-57.6170.8000108N329 K333N329-I331 PolarHBondContact O-N 2.95Å; I331-K333 VanDerWaalsContact C-N 3.31Å; I331-K333 HydrophobicContact CG2-CG 4.01Å; I331-K333 PolarHBondContact O-N 3.42Å
332L57.7Low56.5Low156 Ų156141.1 Ų141.182%0.81777%0.773SS**  trans-66.493.3165-68.2176.3000108.5I330 S334I330-L332 HydrophobicContact CG2-CD2 4.44Å; I330-L332 PolarHBondContact O-N 3.01Å; I330-L332 VanDerWaalsContact O-N 3.07Å; L332-S334 PolarHBondContact O-N 3.16Å
333K51Low54.9Low188 Ų188141.1 Ų141.182%0.81778%0.776SS**  trans-68.390.4176.5-66.3175.168.4-1800109.3I331I331-K333 VanDerWaalsContact C-N 3.31Å; I331-K333 HydrophobicContact CG2-CG 4.01Å; I331-K333 PolarHBondContact O-N 3.42Å
334S49.6Very low53.8Low108 Ų108139.1 Ų139.176%0.75578%0.778SS**PPolyproline II helixtrans-62.5126.7168.246.20000109.6L332 K336L332-S334 PolarHBondContact O-N 3.16Å; S334-K336 PolarHBondContact O-N 2.88Å
335P42.2Very low51.8Low129 Ų129136.2 Ų136.284%0.83877%0.772SS**PPolyproline II helixtrans-68.3134.2179.425.7-32000110.9
336K38.1Very low50.7Low198 Ų198132.9 Ų132.986%0.86177%0.771SS**PPolyproline II helixtrans-67.5136.9176.6-162.487.3169.3-177.50109.6S334S334-K336 PolarHBondContact O-N 2.88Å
337S38.5Very low49.5Very low103 Ų103128.6 Ų128.672%0.7276%0.76SS**PPolyproline II helixtrans-67.3134.4173.752.50000112.9
338P42.4Very low48.2Very low125 Ų125133.8 Ų133.881%0.81278%0.776SS**PPolyproline II helixtrans-92.5147.4156.334.4-29.4000111.5
339T43.5Very low47.2Very low132 Ų132132.6 Ų132.681%0.8177%0.768SS**PPolyproline II helixtrans-84.2139.6-175.1-63.70000112.6
340L46.8Very low46.9Very low149 Ų149132 Ų13278%0.7877%0.769SS**  trans40.699.6151.8-163.879.3000118.6
341V40.2Very low46.5Very low143 Ų143129.9 Ų129.987%0.86776%0.761SS**  trans-130125.2136.6-76.50000109.2
342S46.5Very low45.9Very low99 Ų99126.3 Ų126.369%0.69275%0.749SS**  trans-97.299-176.3164.50000110.6
343H40.4Very low45.7Very low187 Ų187126 Ų12687%0.86674%0.743SS**  trans-136.8135158.3-71.9-69.8000109.6
344G46.1Very low45.9Very low82 Ų82120.5 Ų120.585%0.84573%0.728SS**  trans-84.5142.4-15300000116.2
345N33.5Very low46.4Very low138 Ų138119.4 Ų119.474%0.73871%0.714SS**  trans-157.4118.6149.9-165.13.7000109.5G347N345-G347 PolarHBondContact O-N 3.4Å
346P49.6Very low47.2Very low135 Ų135120 Ų12088%0.87770%0.699SS**  trans-83.382.8-179.833.2-33000110.7
347G46.7Very low48.3Very low46 Ų46117.6 Ų117.647%0.47469%0.693SS.*SBendtrans-139.597.817900000112.5N345N345-G347 PolarHBondContact O-N 3.4Å
348H46.6Very low49.6Very low191 Ų191120 Ų12088%0.88470%0.697SS**  trans64.650.1167.6-49.1-75.2000117.5V350H348-V350 PolarHBondContact O-N 3.37Å
349S44.3Very low51.3Low114 Ų114116.8 Ų116.880%0.79767%0.672SS**  trans-69.8112.4150.438.10000109.5P351S349-P351 WeakPolarHBondContact O-CD 3.5Å
350V53.9Low53.2Low114 Ų114114.5 Ų114.569%0.69166%0.656SS**PPolyproline II helixtrans-67.3122.9168.6176.20000107.6H348 S352H348-V350 PolarHBondContact O-N 3.37Å; V350-S352 PolarHBondContact O-N 2.91Å
351P56.3Low55.2Low48 Ų48112.5 Ų112.531%0.31265%0.651SS.*PPolyproline II helixtrans-57.8129.9-179-25.734.5000110.8S349 D355 R356S349-P351 WeakPolarHBondContact O-CD 3.5Å; P351-D355 HydrophobicContact CB-CB 4.02Å; P351-R356 HydrophobicContact CB-CG 4.16Å; P351-R356 PolarHBondContact O-NE 3.33Å; P351-R356 PolarHBondContact O-NH2 2.94Å
352S49.1Very low57.5Low68 Ų68112.2 Ų112.248%0.47664%0.64SS.*PPolyproline II helixtrans-58.5156.1174.1-175.90000109.4V350 S354 D355 R356V350-S352 PolarHBondContact O-N 2.91Å; S352-S354 PolarHBondContact O-N 2.93Å; S352-S354 PolarHBondContact OG-OG 3.03Å; S352-D355 PolarHBondContact O-N 2.97Å; S352-R356 PolarHBondContact O-N 3.36Å
353H53.8Low59.6Low150 Ų150113.8 Ų113.869%0.69464%0.635SS**THydrogen-bonded Turntrans-56.3-28.9-179.3-171-75.5000112.4
354S56.4Low62.1Low71 Ų71107.8 Ų107.850%0.49761%0.611SS.*THydrogen-bonded Turntrans-66.3-42.8173.250.60000113.8S352 R356 M357S352-S354 PolarHBondContact O-N 2.93Å; S352-S354 PolarHBondContact OG-OG 3.03Å; S354-R356 VanDerWaalsContact C-N 3.29Å; S354-R356 PolarHBondContact O-N 3.44Å; S354-M357 PolarHBondContact O-N 2.92Å
355D59Low64.4Low86 Ų86112.6 Ų112.646%0.4660%0.604SS.*G310 helixtrans-66.8-33.9-178.1-67.8-33000111.5P351 S352 M357 L358 L359P351-D355 HydrophobicContact CB-CB 4.02Å; S352-D355 PolarHBondContact O-N 2.97Å; D355-M357 PolarHBondContact O-N 2.85Å; D355-L358 PolarHBondContact O-N 2.94Å; D355-L358 VanDerWaalsContact O-N 3.08Å; D355-L359 WeakPolarHBondContact O-CG 3.36Å; D355-L359 PolarHBondContact O-N 3.24Å
356R60.5Low67.2Low140 Ų140110.4 Ų110.453%0.52859%0.59SS.*G310 helixtrans-64.4-21.8179.4-60.2-179.6-160.3-137.72.2113.4P351 S352 S354P351-R356 HydrophobicContact CB-CG 4.16Å; P351-R356 PolarHBondContact O-NE 3.33Å; P351-R356 PolarHBondContact O-NH2 2.94Å; S352-R356 PolarHBondContact O-N 3.36Å; S354-R356 VanDerWaalsContact C-N 3.29Å; S354-R356 PolarHBondContact O-N 3.44Å
357M59.6Low69.3Low149 Ų149107.5 Ų107.573%0.73457%0.565SS**G310 helixtrans-89.1-10.7178.1-62.6-98.258.900112.9S354 D355S354-M357 PolarHBondContact O-N 2.92Å; D355-M357 PolarHBondContact O-N 2.85Å
358L67.3Low71.6Confident153 Ų153107.4 Ų107.480%0.80156%0.56SS**THydrogen-bonded Turntrans-109.50.8179.8-75.3173.4000113.8D355D355-L358 PolarHBondContact O-N 2.94Å; D355-L358 VanDerWaalsContact O-N 3.08Å
359L77.6Confident74Confident57 Ų57100.9 Ų100.930%0.29853%0.531SS..SBendtrans-78.8130.9174.5-71.3167.9000110.5D355 K363 V364D355-L359 WeakPolarHBondContact O-CG 3.36Å; D355-L359 PolarHBondContact O-N 3.24Å; L359-K363 HydrophobicContact CD2-CD 4.44Å; L359-V364 HydrophobicContact CB-CG2 3.47Å; L359-V364 VanDerWaalsContact CB-CG2 3.47Å; L359-V364 HydrophobicContact CD1-CG2 4.09Å; L359-V364 HydrophobicContact CG-CG2 4.42Å
360D82.3Confident76.5Confident85 Ų8598.5 Ų98.546%0.45551%0.509SS..  trans-48.2125.3165.4155.543.3000110.5Q362 K363 V364D360-Q362 PolarHBondContact O-N 2.64Å; D360-Q362 VanDerWaalsContact O-N 3.16Å; D360-Q362 PolarHBondContact OD1-N 3.13Å; D360-Q362 WeakPolarHBondContact OD2-CB 3.25Å; D360-K363 HydrophobicContact CB-CB 4.17Å; D360-K363 WeakPolarHBondContact O-CB 3.38Å; D360-K363 PolarHBondContact O-N 3.28Å; D360-K363 WeakPolarHBondContact OD2-CB 3.23Å; D360-K363 PolarHBondContact OD2-N 3.46Å; D360-V364 PolarHBondContact O-N 3.46Å
361P88.6Confident78.4Confident106 Ų106100.3 Ų100.369%0.68851%0.508SS*.Hα-helixtrans-54.4-32.9179.9-28.135.6000114.1V364 R365P361-V364 PolarHBondContact O-N 3.01Å; P361-R365 WeakPolarHBondContact O-CB 3.38Å; P361-R365 PolarHBondContact O-N 2.97Å
362Q89.6Confident80.3Confident137 Ų137104 Ų10464%0.6452%0.524SS*.Hα-helixtrans-68.4-39.8177.4179.6177-20.400111.4D360 R365 M366D360-Q362 PolarHBondContact O-N 2.64Å; D360-Q362 VanDerWaalsContact O-N 3.16Å; D360-Q362 PolarHBondContact OD1-N 3.13Å; D360-Q362 WeakPolarHBondContact OD2-CB 3.25Å; Q362-R365 WeakPolarHBondContact O-CB 3.48Å; Q362-R365 PolarHBondContact O-N 2.93Å; Q362-M366 PolarHBondContact O-N 3.1Å
363K90.1Very high82.3Confident133 Ų133103.6 Ų103.658%0.57853%0.531SS*.Hα-helixtrans-64.6-41.3172.7-165.7174.4-175.7178.80112.8L359 D360 R365 M366 E367L359-K363 HydrophobicContact CD2-CD 4.44Å; D360-K363 HydrophobicContact CB-CB 4.17Å; D360-K363 WeakPolarHBondContact O-CB 3.38Å; D360-K363 PolarHBondContact O-N 3.28Å; D360-K363 WeakPolarHBondContact OD2-CB 3.23Å; D360-K363 PolarHBondContact OD2-N 3.46Å; K363-R365 VanDerWaalsContact C-N 3.35Å; K363-M366 PolarHBondContact O-N 3.18Å; K363-E367 PolarHBondContact O-N 2.64Å
364V93.3Very high84.2Confident61 Ų61102.7 Ų102.737%0.3753%0.531SS..Hα-helixtrans-61.9-43.4173.5-179.40000110.8L359 D360 P361 E367 A368L359-V364 HydrophobicContact CB-CG2 3.47Å; L359-V364 VanDerWaalsContact CB-CG2 3.47Å; L359-V364 HydrophobicContact CD1-CG2 4.09Å; L359-V364 HydrophobicContact CG-CG2 4.42Å; D360-V364 PolarHBondContact O-N 3.46Å; P361-V364 PolarHBondContact O-N 3.01Å; V364-E367 PolarHBondContact O-N 3.36Å; V364-A368 WeakPolarHBondContact O-CB 3.47Å; V364-A368 PolarHBondContact O-N 3.35Å
365R93.4Very high85.7Confident183 Ų183102.4 Ų102.469%0.69152%0.523SS*.Hα-helixtrans-59.5-45.9175.2180-179.8178179.70.2111.6P361 Q362 K363 A368 L369P361-R365 WeakPolarHBondContact O-CB 3.38Å; P361-R365 PolarHBondContact O-N 2.97Å; Q362-R365 WeakPolarHBondContact O-CB 3.48Å; Q362-R365 PolarHBondContact O-N 2.93Å; K363-R365 VanDerWaalsContact C-N 3.35Å; R365-A368 PolarHBondContact O-N 3.13Å; R365-L369 HydrophobicContact CG-CD1 4.09Å; R365-L369 VanDerWaalsContact O-CG 3.25Å; R365-L369 WeakPolarHBondContact O-CG 3.45Å; R365-L369 PolarHBondContact O-N 3.21Å
366M93.7Very high87.1Confident91 Ų91107 Ų10745%0.44854%0.539SS..Hα-helixtrans-64.6-45.2176.3-84.7-167.557.800112.5Q362 K363 A368 L369 L370 L375Q362-M366 PolarHBondContact O-N 3.1Å; K363-M366 PolarHBondContact O-N 3.18Å; M366-A368 VanDerWaalsContact C-N 3.31Å; M366-A368 PolarHBondContact O-N 3.09Å; M366-L369 PolarHBondContact O-N 3.09Å; M366-L370 WeakPolarHBondContact O-CB 3.48Å; M366-L370 VanDerWaalsContact O-CG 3.23Å; M366-L370 WeakPolarHBondContact O-CG 3.38Å; M366-L370 PolarHBondContact O-N 3.42Å; M366-L375 HydrophobicContact CE-CD2 3.9Å; M366-L375 HydrophobicContact CG-CD2 4.05Å
367E93.5Very high88.1Confident74 Ų74106.2 Ų106.235%0.34655%0.545SS..Hα-helixtrans-59.8-41.7175.9175.1173-171.600111.6K363 V364 L370 K371K363-E367 PolarHBondContact O-N 2.64Å; V364-E367 PolarHBondContact O-N 3.36Å; E367-L370 PolarHBondContact O-N 3Å; E367-K371 HydrophobicContact CG-CD 4.44Å; E367-K371 HydrophobicContact CG-CG 4.45Å; E367-K371 WeakPolarHBondContact O-CB 3.37Å; E367-K371 WeakPolarHBondContact O-CG 3.35Å; E367-K371 PolarHBondContact O-N 3.29Å; E367-K371 WeakPolarHBondContact OE1-CE 3.38Å; E367-K371 IonicContact OE1-NZ 3.73Å; E367-K371 PolarHBondContact OE1-NZ 3.44Å
368A95.2Very high88.3Confident44 Ų44106.3 Ų106.336%0.36455%0.549SS..Hα-helixtrans-62.8-45.3175.500000112V364 R365 M366 L370 K371 L372V364-A368 WeakPolarHBondContact O-CB 3.47Å; V364-A368 PolarHBondContact O-N 3.35Å; R365-A368 PolarHBondContact O-N 3.13Å; M366-A368 VanDerWaalsContact C-N 3.31Å; M366-A368 PolarHBondContact O-N 3.09Å; A368-L370 VanDerWaalsContact C-N 3.33Å; A368-L370 PolarHBondContact O-N 2.77Å; A368-K371 PolarHBondContact O-N 3.02Å; A368-L372 WeakPolarHBondContact O-CB 3.48Å; A368-L372 VanDerWaalsContact O-CG 3.24Å; A368-L372 WeakPolarHBondContact O-CG 3.45Å; A368-L372 PolarHBondContact O-N 2.68Å
369L96.3Very high87.8Confident54 Ų54105.9 Ų105.928%0.28354%0.54SS..Hα-helixtrans-64.4-36.2177.9-69.6169000112.6R365 M366 G373 L374 L375R365-L369 HydrophobicContact CG-CD1 4.09Å; R365-L369 VanDerWaalsContact O-CG 3.25Å; R365-L369 WeakPolarHBondContact O-CG 3.45Å; R365-L369 PolarHBondContact O-N 3.21Å; M366-L369 PolarHBondContact O-N 3.09Å; L369-G373 PolarHBondContact O-N 3.41Å; L369-L374 HydrophobicContact CD2-CB 4.02Å; L369-L374 HydrophobicContact CD2-CD1 4.05Å; L369-L374 PolarHBondContact O-N 3.3Å; L369-L375 HydrophobicContact CB-CB 3.64Å; L369-L375 HydrophobicContact CB-CD2 4.35Å; L369-L375 PolarHBondContact O-N 3.09Å
370L95.9Very high86.8Confident65 Ų65111.9 Ų111.934%0.3457%0.567SS.*Hα-helixtrans-66-47.4172.9-68.9167.4000111.1M366 E367 A368 L372 G373 L375 D377M366-L370 WeakPolarHBondContact O-CB 3.48Å; M366-L370 VanDerWaalsContact O-CG 3.23Å; M366-L370 WeakPolarHBondContact O-CG 3.38Å; M366-L370 PolarHBondContact O-N 3.42Å; E367-L370 PolarHBondContact O-N 3Å; A368-L370 VanDerWaalsContact C-N 3.33Å; A368-L370 PolarHBondContact O-N 2.77Å; L370-L372 VanDerWaalsContact C-N 3.27Å; L370-L372 PolarHBondContact O-N 3.15Å; L370-G373 PolarHBondContact O-N 2.68Å; L370-L375 HydrophobicContact CD2-CB 4.19Å; L370-L375 HydrophobicContact CD2-CD2 4.42Å; L370-L375 HydrophobicContact CD2-CG 4.12Å; L370-L375 HydrophobicContact CG-CB 4.46Å; L370-L375 HydrophobicContact CG-CD2 4.43Å; L370-D377 HydrophobicContact CD2-CB 3.93Å
371K95.1Very high85.1Confident151 Ų151116 Ų11666%0.65758%0.584SS**Hα-helixtrans-64-29.3177.1-72-170.9-156.1-55.20113.6E367 A368 G373E367-K371 HydrophobicContact CG-CD 4.44Å; E367-K371 HydrophobicContact CG-CG 4.45Å; E367-K371 WeakPolarHBondContact O-CB 3.37Å; E367-K371 WeakPolarHBondContact O-CG 3.35Å; E367-K371 PolarHBondContact O-N 3.29Å; E367-K371 WeakPolarHBondContact OE1-CE 3.38Å; E367-K371 IonicContact OE1-NZ 3.73Å; E367-K371 PolarHBondContact OE1-NZ 3.44Å; A368-K371 PolarHBondContact O-N 3.02Å; K371-G373 VanDerWaalsContact C-N 3.3Å
372L95.5Very high83Confident125 Ų125114.6 Ų114.665%0.65458%0.576SS**THydrogen-bonded Turntrans-83.7-3175.1-67.7171.6000113.1A368 L370 L374A368-L372 WeakPolarHBondContact O-CB 3.48Å; A368-L372 VanDerWaalsContact O-CG 3.24Å; A368-L372 WeakPolarHBondContact O-CG 3.45Å; A368-L372 PolarHBondContact O-N 2.68Å; L370-L372 VanDerWaalsContact C-N 3.27Å; L370-L372 PolarHBondContact O-N 3.15Å; L372-L374 HydrophobicContact CB-CD1 4Å; L372-L374 HydrophobicContact CB-CG 3.96Å; L372-L374 HydrophobicContact CD1-CD1 4.2Å; L372-L374 PolarHBondContact O-N 3.46Å
373G92.3Very high80.9Confident61 Ų61112.3 Ų112.363%0.62958%0.575SS**THydrogen-bonded Turntrans6713.3-176.800000114.4L369 L370 K371L369-G373 PolarHBondContact O-N 3.41Å; L370-G373 PolarHBondContact O-N 2.68Å; K371-G373 VanDerWaalsContact C-N 3.3Å
374L93.1Very high78.2Confident131 Ų131116.5 Ų116.569%0.68659%0.588SS**SBendtrans-84.7-30-179.9-64176.7000111.9L369 L372L369-L374 HydrophobicContact CD2-CB 4.02Å; L369-L374 HydrophobicContact CD2-CD1 4.05Å; L369-L374 PolarHBondContact O-N 3.3Å; L372-L374 HydrophobicContact CB-CD1 4Å; L372-L374 HydrophobicContact CB-CG 3.96Å; L372-L374 HydrophobicContact CD1-CD1 4.2Å; L372-L374 PolarHBondContact O-N 3.46Å
375L88.3Confident75.7Confident65 Ų65117.8 Ų117.834%0.3461%0.605SS.*SBendtrans-109.7138.8168.2-171.660.7000108.1M366 L369 L370M366-L375 HydrophobicContact CE-CD2 3.9Å; M366-L375 HydrophobicContact CG-CD2 4.05Å; L369-L375 HydrophobicContact CB-CB 3.64Å; L369-L375 HydrophobicContact CB-CD2 4.35Å; L369-L375 PolarHBondContact O-N 3.09Å; L370-L375 HydrophobicContact CD2-CB 4.19Å; L370-L375 HydrophobicContact CD2-CD2 4.42Å; L370-L375 HydrophobicContact CD2-CG 4.12Å; L370-L375 HydrophobicContact CG-CB 4.46Å; L370-L375 HydrophobicContact CG-CD2 4.43Å
376K88.1Confident73.2Confident182 Ų182115.7 Ų115.779%0.79161%0.612SS**  trans-86.8132.2178-62.9164.8-176172.30108.2N378K376-N378 PolarHBondContact O-N 3.46Å; K376-N378 VanDerWaalsContact O-N 3.12Å
377D80.6Confident70.6Confident123 Ų123116.1 Ų116.166%0.65862%0.623SS**  trans-70.4103164.549.3-30.2000108.9L370 K379L370-D377 HydrophobicContact CD2-CB 3.93Å; D377-K379 PolarHBondContact O-N 3.25Å
378N65.1Low68Low152 Ų152118.7 Ų118.781%0.81365%0.647SS**  trans-73.138.2169.358.7-35.7000112.1K376K376-N378 PolarHBondContact O-N 3.46Å; K376-N378 VanDerWaalsContact O-N 3.12Å
379K56.8Low65.2Low143 Ų143126.1 Ų126.162%0.62267%0.671SS**  trans-101.473.5171.2-167.5-167.5179.2-163.80108.6D377 E381D377-K379 PolarHBondContact O-N 3.25Å; K379-E381 PolarHBondContact O-N 3.25Å
380E55.9Low62.7Low183 Ų183131.2 Ų131.286%0.85570%0.698SS**  trans-56.2134.2172.6-64.5171.8146.700110.1
381E47.6Very low60.4Low173 Ų173133.9 Ų133.981%0.80872%0.718SS**  trans46.271.7162.9-153.757.3-117.100117.8K379K379-E381 PolarHBondContact O-N 3.25Å
382S43.1Very low57.7Low75 Ų75132.7 Ų132.752%0.52473%0.726SS.*  trans-131.457.9159.3-163.70000111.6
383S45.7Very low55.2Low89 Ų89136.2 Ų136.262%0.62274%0.736SS**SBendtrans42.381.6139.653.40000119.1
384R34.6Very low52.6Low222 Ų222139.1 Ų139.184%0.83875%0.747SS**  -159.6114.8113.4-163.6165.2-79.3111-6111.6
385A40.5Very low49.8Very low88 Ų88137.4 Ų137.473%0.72775%0.752SS**  trans-73.8136.3175.300000112
386V41Very low47.4Very low138 Ų138138.5 Ų138.584%0.83677%0.77SS**  trans-132.797.7151.4-179.30000107.1
387S38.7Very low44.9Very low100 Ų100140.4 Ų140.470%0.69977%0.774SS**  trans-79.1150.3178-47.60000111.9
388P39.8Very low43.2Very low128 Ų128144.3 Ų144.383%0.83179%0.785SS**  trans-96.7134.9137.1-8.426.6000109.4
389K34.9Very low41.7Very low201 Ų201148.2 Ų148.287%0.87479%0.789SS**  trans-97.8109.1-166.5-173.7179.6-173.9175.90110.6
390L43.5Very low40.7Very low161 Ų161146.2 Ų146.284%0.84379%0.793SS**  trans-135.3136.4167.7-70.3177.8000110.6
391P48.6Very low39.8Very low120 Ų120146 Ų14678%0.77980%0.796SS**  trans-94133.8-17534.6-32.2000112.9
392P38.7Very low39.2Very low126 Ų126141.6 Ų141.682%0.81879%0.79SS**  trans-93.9118.8163.332.9-27.4000110.5
393K42.3Very low38.6Very low199 Ų199143.3 Ų143.387%0.86580%0.802SS**  trans-140.9144.6164.8-101.8-176.2179.1176.40111
394S37.1Very low38.6Very low122 Ų122145.3 Ų145.385%0.85381%0.812SS**  trans70.5140.6-174.481.80000114.9
395A34.2Very low38.8Very low95 Ų95139.9 Ų139.979%0.78581%0.809SS**  cis-154.8169.6-2200000109.8Y397A395-Y397 PolarHBondContact O-N 3.49Å
396A39.8Very low39.1Very low89 Ų89141.4 Ų141.474%0.73681%0.811SS**  trans-51.7130.7-177.800000115.2
397Y33.8Very low39.4Very low221 Ų221140.7 Ų140.787%0.86781%0.81SS**  trans-139.7111.5140-98.3-78.1000109.7A395A395-Y397 PolarHBondContact O-N 3.49Å
398K45.1Very low39.1Very low206 Ų206142.9 Ų142.990%0.89682%0.818SS**  trans-74.7123.9162.6-68.5-169.2179.3-171.20107.8
399R35Very low39.2Very low233 Ų233142 Ų14288%0.87982%0.815SS**  trans-141.3110.8154.6-147.6170.2-154.8115.65.2110.7
400S34.8Very low39.8Very low101 Ų101138.2 Ų138.271%0.70681%0.811SS**  trans-71144.7167.7-179.80000109.5
401L37.4Very low39.3Very low178 Ų178134.9 Ų134.993%0.93281%0.807SS**  trans-140.976.9157.8-161.772.6000108.8
402A33.9Very low39.2Very low81 Ų81134 Ų13467%0.66980%0.801SS**PPolyproline II helixtrans-92.8141.516400000109.2
403S31.3Very low39.1Very low112 Ų112135.8 Ų135.878%0.78380%0.798SS**PPolyproline II helixtrans-60.5148.5-179.1-56.20000112.8
404P45.9Very low39.1Very low130 Ų130132.3 Ų132.384%0.84479%0.794SS**PPolyproline II helixtrans-79.4123.2176.331.5-32.5000111.6
405S37.6Very low39.3Very low108 Ų108132.6 Ų132.676%0.75579%0.793SS**  trans-106.2148.2161-58.90000109
406P47.9Very low39.8Very low121 Ų121133.6 Ų133.679%0.78679%0.791SS**  trans-72.4147-173.729.3-35.3000112.7
407P47.3Very low39.5Very low123 Ų123135.8 Ų135.880%0.79980%0.795SS**  trans-82134.9178.832.3-33.7000112.5
408V32.3Very low39.6Very low145 Ų145131 Ų13188%0.87979%0.789SS**  trans-108.4128.3163.1173.20000108.1
409S41.2Very low40Very low111 Ų111127 Ų12778%0.77678%0.784SS**  trans-125.8148.9171.7-74.10000110.5
410P47.9Very low39.9Very low121 Ų121120.7 Ų120.779%0.78678%0.776SS**  trans-102.8140.7-165.136.7-33.3000116
411A33.5Very low39.8Very low91 Ų91123.5 Ų123.575%0.75278%0.782SS**  trans62.1167.7145.400000120.2
412P46.6Very low39.8Very low102 Ų102120.6 Ų120.666%0.66277%0.772SS**  cis-120.1-150.2-40.135.9-20.4000111.1
413H35.7Very low40.5Very low163 Ų163122.4 Ų122.476%0.75578%0.777SS**  trans114.497.1163.1-55.8-63.1000118.5
414T43.6Very low40.6Very low125 Ų125122.8 Ų122.877%0.76777%0.774SS**  trans31120.3138.755.90000121.8
415P40.4Very low40Very low129 Ų129124.1 Ų124.184%0.83877%0.772SS**  trans-96.7149.6164.136.8-31.9000113.7
416P45.8Very low39.6Very low116 Ų116124 Ų12475%0.75377%0.772SS**  trans-109.5130.1167.335.2-26.9000114.9
417V33.2Very low40.1Very low134 Ų134123.7 Ų123.781%0.81277%0.77SS**  trans65.3102.3134.7-171.80000121.1
418T36.1Very low39.2Very low120 Ų120124.6 Ų124.674%0.73677%0.767SS**  trans-23.4154.6143.151.80000119
419P52.4Low39.3Very low122 Ų122126 Ų12679%0.79276%0.764SS**  -137.4134.678.619.23.9000115.2
420S32.5Very low38.8Very low102 Ų102125.1 Ų125.171%0.71376%0.763SS**  85.4141.190.7-145.40000112.8
421L34.3Very low38.7Very low160 Ų160124.8 Ų124.884%0.83876%0.761SS**  cis-143.5154.431.1-76.1153.4000113.1
422T35.9Very low38.6Very low116 Ų116126.3 Ų126.371%0.71276%0.761SS**  trans-90.4167.1165.652.60000111.5
423P48.9Very low37.7Very low120 Ų120127.9 Ų127.978%0.77976%0.763SS**  -127.6142.386.75.517.7000112.9
424V33.8Very low37.7Very low119 Ų119127.5 Ų127.572%0.72176%0.762SS**  68.1111.967179.50000109.1
425I33.6Very low37.3Very low158 Ų158129.4 Ų129.481%0.8176%0.762SS**  -154.614957.3-69.3176.6000112
426S29.7Very low37.1Very low106 Ų106128.4 Ų128.474%0.74176%0.758SS**  trans-110-163.8167.1-36.90000110.6
427P56.8Low36.5Very low114 Ų114127 Ų12774%0.7476%0.756SS**  -122.3-173.7-53.636.3-20.3000111.2
428L29.3Very low36.3Very low143 Ų143128.4 Ų128.475%0.74976%0.758SS**  trans-172.1112.3136.9-12265.5000109.2
429Q34.5Very low36.3Very low174 Ų174128.5 Ų128.581%0.81376%0.759SS**  73.1128.6100-67.2-177.1-7.900116.6
430A30.4Very low35.8Very low92 Ų92128 Ų12876%0.7676%0.756SS**  trans-71.7176.2169.300000111
431P45.3Very low35.5Very low114 Ų114129 Ų12974%0.7476%0.758SS**  -158.8165.668.245.1-24.1000119.3
432V31.4Very low35.5Very low123 Ų123127.8 Ų127.875%0.74576%0.756SS**  73.3129.4129.7158.90000123.3
433L29.1Very low35.3Very low136 Ų136127.1 Ų127.171%0.71276%0.757SS**  trans57.4120.5154.8-62.6169000119.2
434Q35.6Very low35.5Very low154 Ų154126.7 Ų126.772%0.7275%0.754SS**  77.7113.267-82.5-165.5-21.900116.6
435Q34.8Very low35.3Very low166 Ų166126.6 Ų126.678%0.77676%0.758SS**  trans84.9142.9137.5-72.7-172.4-6.800122.9
436S35.5Very low35.2Very low108 Ų108123.1 Ų123.176%0.75575%0.754SS**  trans90.998.5151.5-61.40000119.8
437A32.5Very low35.2Very low87 Ų87123.6 Ų123.672%0.71976%0.757SS**  33135.5124.200000118.9
438L30.5Very low34Very low162 Ų162123.2 Ų123.285%0.84876%0.757SS**  -162.6160.869.8-85.8163.6000112.9
439T35Very low34.1Very low123 Ų123120.2 Ų120.276%0.75575%0.753SS**  trans-57159.7166.361.50000111.6
440P42.1Very low33.9Very low111 Ų111117.6 Ų117.672%0.72175%0.753SS**  -157.316585.644-25.2000118.1
441T27.6Very low35Very low124 Ų124118.7 Ų118.776%0.76175%0.753SS**  trans75.7106.9130.1-75.40000122
442V34.2Very low34.9Very low133 Ų133118 Ų11881%0.80675%0.749SS**  90.6112.1123.4170.40000120.5
443S31.6Very low34.9Very low103 Ų103119 Ų11972%0.7275%0.748SS**  trans-62.6-178.7155.7-31.70000111.5
444P51.7Low35.2Very low110 Ų110119.9 Ų119.971%0.71475%0.749SS**  cis-148.9-176.727.643.4-22.3000117.4
445S29.6Very low35Very low117 Ų117118.8 Ų118.882%0.81875%0.748SS**  trans66151150.9-71.30000118.9
446A32.1Very low35Very low86 Ų86114.6 Ų114.671%0.71174%0.742SS**  cis-165.7168.3-16.200000109.7
447S30.6Very low35Very low116 Ų116116.6 Ų116.681%0.81174%0.744SS**  trans75.3118.4147.1-128.80000121.3
448S30.4Very low35.4Very low105 Ų105120.6 Ų120.673%0.73475%0.751SS**  82.1109.9119.1-172.70000121.6
449A31.3Very low36Very low81 Ų81120.5 Ų120.567%0.66975%0.751SS**  trans79.4105.3133.400000121.5
450S29.9Very low36.5Very low118 Ų118120.3 Ų120.383%0.82575%0.751SS**  90.2154.4122.5-64.80000120.5
451P53.4Low36.6Very low115 Ų115119.5 Ų119.575%0.74775%0.754SS**  trans-107.3-155.2-153.945.6-35.5000111.4
452P43.2Very low37.2Very low101 Ų101119.9 Ų119.966%0.65676%0.759SS**  cis-143.6-164.72.839-15.3000117
453I32.6Very low37.5Very low144 Ų144118.6 Ų118.674%0.73876%0.762SS**  trans73.6137.7160.7-73.6171.3000115.3
454Q34.3Very low37.7Very low153 Ų153117.3 Ų117.372%0.71576%0.758SS**  cis-170.4167.7-12.1-115.6176.2-83.400106.6
455D32.9Very low36.9Very low132 Ų132121.8 Ų121.871%0.70677%0.766SS**  cis-160.4-173.7-4.1-146.2-32.2000109.6
456A33.7Very low37.2Very low78 Ų78122.3 Ų122.365%0.64577%0.77SS**  trans68.7139.5167.300000117.6
457D34.9Very low37.4Very low150 Ų150126.4 Ų126.480%0.80278%0.78SS**  cis-149120.12.1-100.8-35.5000110
458I42.2Very low37.8Very low171 Ų171123.9 Ų123.988%0.87777%0.773SS**  trans-145.1131158-57.4-176.3000109.1
459L43.3Very low38.1Very low160 Ų160129.8 Ų129.884%0.83879%0.785SS**PPolyproline II helixtrans-81.6149.3-176.8-65.9172.6000113.3
460P45.3Very low38.2Very low118 Ų118129.3 Ų129.377%0.76679%0.788SS**PPolyproline II helixtrans-91.2152-171.235.5-35.8000114.6
461A42.9Very low39.4Very low94 Ų94129.5 Ų129.578%0.77779%0.787SS**PPolyproline II helixtrans-77.8142.2165.100000110.9A463A461-A463 PolarHBondContact O-N 2.92Å
462P41.2Very low38.6Very low133 Ų133130.2 Ų130.286%0.86479%0.794SS**PPolyproline II helixtrans-81.1116.8-174.130.8-33.8000112.5
463A40.7Very low38Very low105 Ų105128.4 Ų128.487%0.86879%0.794SS**PPolyproline II helixtrans-94.2125.115800000108.8A461A461-A463 PolarHBondContact O-N 2.92Å
464A35.7Very low38.2Very low77 Ų77129.5 Ų129.564%0.63680%0.801SS**  trans-109.8122.7175.500000109.8
465F35.3Very low38.1Very low203 Ų203131.4 Ų131.489%0.8981%0.81SS**  trans72.475.3168.7-44-65.9000117.5
466S35.7Very low38.3Very low129 Ų129132.8 Ų132.890%0.90282%0.817SS**  trans-110.5129.4132.7-68.50000107.4
467D36.1Very low38.9Very low172 Ų172134.5 Ų134.592%0.9282%0.822SS**  trans-130.6149.5162.7-155.7-2.8000109.7
468G38.7Very low38.6Very low63 Ų63131.3 Ų131.365%0.64982%0.816SS**  trans-96.6167.7-161.400000115.7
469F36.5Very low38.1Very low229 Ų229129.4 Ų129.4100%1.00481%0.812SS**  trans-46.9135.5171.3-105.4-112.9000114.6
470G34.8Very low37.8Very low70 Ų70128.3 Ų128.372%0.72281%0.812SS**  trans-167.1134.3165.900000111.7
471P54.8Low37.1Very low123 Ų123131.7 Ų131.780%0.79982%0.818SS**  trans-108-180-157.141.6-37.6000116.2
472S35.4Very low36.5Very low130 Ų130131.7 Ų131.791%0.90982%0.818SS**  trans73.6144.2176.876.30000115.7
473G31.4Very low36Very low63 Ų63132.2 Ų132.265%0.64982%0.819SS**  cis175.5149-500000110.8
474D36.4Very low35.6Very low166 Ų166136.2 Ų136.289%0.88882%0.817SS**  trans61.6146.8164.6-59.3-35.9000122.2
475E32.6Very low35.3Very low193 Ų193137.4 Ų137.490%0.90282%0.82SS**  trans86.4143.6159.3-123.7169126.800121.8
476L36.9Very low35.1Very low161 Ų161133.8 Ų133.884%0.84382%0.815SS**  trans-95.7-172-170.6-58.4164.1000109.4
477P47.1Very low35.2Very low115 Ų115134.7 Ų134.775%0.74781%0.809SS**  cis-138.9178.3-1.841.7-23.2000116.7
478A28.4Very low35.2Very low82 Ų82132 Ų13268%0.67880%0.801SS**  trans76.3118.6139.200000123.2
479V31Very low35.1Very low132 Ų132136 Ų13680%0.881%0.807SS**  64.7110126.5-178.40000117.2
480T37Very low34.9Very low137 Ų137130.9 Ų130.984%0.8480%0.795SS**  -153.9175.18133.20000114.9
481E29.8Very low35.2Very low189 Ų189132.4 Ų132.488%0.88380%0.795SS**  trans-77.4164-167.3-61.1176.3102.900117.8
482A31.3Very low34.7Very low94 Ų94131.8 Ų131.878%0.77779%0.791SS**  trans71.993.6143.500000120
483T30Very low35.1Very low144 Ų144131.5 Ų131.588%0.88379%0.786SS**  trans-121.2139.4150.7-59.20000110.1
484F32.2Very low35.7Very low189 Ų189137.9 Ų137.983%0.82980%0.796SS**  trans-68.7152177.8-87.7-113.6000113.4
485S29.6Very low36.3Very low102 Ų102136.6 Ų136.671%0.71379%0.793SS**  trans42123.7150.6-58.10000119.1
486T31.8Very low37Very low127 Ų127134.1 Ų134.178%0.77979%0.785SS**  -167.1149.381.3-71.70000113.1
487L37.4Very low37.3Very low147 Ų147133.9 Ų133.977%0.7779%0.785SS**  trans71.6134.4175.4-117.474000117.1
488P35.2Very low37.1Very low116 Ų116135.1 Ų135.175%0.75378%0.782SS**  -132.9159.194.238.9-31000115.7
489N37.9Very low38.2Very low147 Ų147141.2 Ų141.279%0.78679%0.793SS**  trans-74.9125.8173.1173.210.8000111.6
490T32.9Very low38.7Very low121 Ų121143.3 Ų143.374%0.74279%0.792SS**  trans-148.1120.7166.960.20000114.4
491S40.1Very low38.7Very low103 Ų103141.4 Ų141.472%0.7279%0.79SS**  trans43.1130.7138.7-166.90000121.2
492P43.4Very low39.1Very low110 Ų110138.1 Ų138.171%0.71478%0.783SS**PPolyproline II helixtrans-64.9154.1162.830.4-34.5000111.7
493P44.2Very low39.7Very low124 Ų124141 Ų14181%0.80579%0.785SS**PPolyproline II helixtrans-76.5150.2-177.530.5-34.8000113.1V495P493-V495 PolarHBondContact O-N 2.9Å
494K44.8Very low40.9Very low196 Ų196141.4 Ų141.485%0.85278%0.776SS**PPolyproline II helixtrans-62.2131.5-179.5-75.1167.4175.9166.10112.2I496K494-I496 PolarHBondContact O-N 3.16Å
495V48.5Very low41.7Very low139 Ų139143.1 Ų143.184%0.84278%0.777SS**PPolyproline II helixtrans-59.6119.8167.2-158.10000108.9P493P493-V495 PolarHBondContact O-N 2.9Å
496I48.5Very low42.4Very low142 Ų142143.3 Ų143.373%0.72878%0.778SS**PPolyproline II helixtrans-84.6127.3173.1-59.9174.1000107.3K494 M498K494-I496 PolarHBondContact O-N 3.16Å; I496-M498 VanDerWaalsContact C-N 3.33Å; I496-M498 PolarHBondContact O-N 3.36Å
497N43.3Very low42.9Very low156 Ų156140.8 Ų140.883%0.83478%0.778SS**  trans-61.186.8178.7-80.4-15.5000112.1
498M41.5Very low43.4Very low140 Ų140142 Ų14269%0.6978%0.784SS**  trans-82.7118165.5-66.4-1477400109.3I496 F500I496-M498 VanDerWaalsContact C-N 3.33Å; I496-M498 PolarHBondContact O-N 3.36Å; M498-F500 VanDerWaalsContact C-N 3.34Å; M498-F500 HydrophobicContact CB-CD2 4.28Å; M498-F500 HydrophobicContact CB-CE2 3.8Å; M498-F500 HydrophobicContact CB-CZ 4.23Å; M498-F500 WeakPolarHBondContact O-CD2 3.49Å; M498-F500 PolarHBondContact O-N 3.13Å
499K52Low44.2Very low210 Ų210139.6 Ų139.691%0.91378%0.781SS**  trans-75.386.9174.5-62.5177179.7-178.80108.9A501K499-A501 PolarHBondContact O-N 3.39Å
500F41.3Very low44.6Very low177 Ų177141.1 Ų141.178%0.77679%0.788SS**  trans-66.9122.4168.4-68.4-82.2000109M498 T502M498-F500 VanDerWaalsContact C-N 3.34Å; M498-F500 HydrophobicContact CB-CD2 4.28Å; M498-F500 HydrophobicContact CB-CE2 3.8Å; M498-F500 HydrophobicContact CB-CZ 4.23Å; M498-F500 WeakPolarHBondContact O-CD2 3.49Å; M498-F500 PolarHBondContact O-N 3.13Å; F500-T502 PolarHBondContact O-N 3.19Å
501A36.2Very low44.9Very low96 Ų96141 Ų14179%0.79379%0.792SS**  trans-79110.2171.200000108.3K499 L503K499-A501 PolarHBondContact O-N 3.39Å; A501-L503 PolarHBondContact O-N 3.23Å
502T40.1Very low44.8Very low120 Ų120141.5 Ų141.574%0.73680%0.796SS**  trans-63.794.4169.7340000109.6F500 E504F500-T502 PolarHBondContact O-N 3.19Å; T502-E504 PolarHBondContact O-N 3.3Å
503L42.6Very low44.6Very low156 Ų156144.8 Ų144.882%0.81780%0.802SS**  trans-77.279.1164.4-176.958.4000108.4A501 R505A501-L503 PolarHBondContact O-N 3.23Å; L503-R505 PolarHBondContact O-N 3.08Å
504E56.3Low44.4Very low151 Ų151146.8 Ų146.871%0.70680%0.802SS**  trans-50.495.3168.6-76.4-7012100110.7T502T502-E504 PolarHBondContact O-N 3.3Å
505R49Very low43.9Very low226 Ų226141.7 Ų141.785%0.85379%0.791SS**  trans-134.158.5158.5-83.9-162.9165.3-172.7-4.4110.5L503L503-R505 PolarHBondContact O-N 3.08Å
506S43.7Very low43.8Very low105 Ų105142.2 Ų142.273%0.73479%0.789SS**  trans-55.1139.5142.4-172.60000109
507G42.1Very low43.5Very low75 Ų75143.7 Ų143.777%0.77380%0.798SS**  trans-170.227.9-170.800000112.2
508L48.9Very low43.2Very low171 Ų171141.6 Ų141.690%0.89580%0.795SS**  trans-70.2141.2165.5-65.4168.3000108.4
509G51.3Low42.8Very low66 Ų66142.1 Ų142.168%0.6880%0.8SS**  trans169.753.3-17800000115.9
510L45.4Very low42.1Very low179 Ų179139.1 Ų139.194%0.93779%0.793SS**  trans-148.678.8154.9-75.5-173.3000109.4
511S39.5Very low41.8Very low120 Ų120137.5 Ų137.584%0.83979%0.788SS**  trans-81.6160.6165.445.70000111.3
512S38.4Very low41.8Very low113 Ų113140.8 Ų140.879%0.7979%0.789SS**  trans-55.9153.4-169.9-660000116.5
513Q38.3Very low41.6Very low179 Ų179139.7 Ų139.784%0.83679%0.792SS**  trans-124.1110.9140.7-73.8-1695.800110.2
514M40.2Very low41.2Very low165 Ų165136.4 Ų136.481%0.81380%0.796SS**  trans-74.7139.5148.5-69.2176.665.700107.4
515S35.4Very low40.1Very low90 Ų90132.9 Ų132.963%0.62980%0.8SS**  trans-148.276.6177.4-66.90000110.7L517S515-L517 PolarHBondContact O-N 3.37Å
516N45.8Very low39.9Very low149 Ų149131.5 Ų131.580%0.79780%0.803SS**  trans-89.885.1166.6-66.3-14.6000108.8
517L42.2Very low39.8Very low174 Ų174135.7 Ų135.791%0.91181%0.811SS**  trans-139.4122.9162.3-78.9-176.7000111.7S515S515-L517 PolarHBondContact O-N 3.37Å
518S37.3Very low39.7Very low111 Ų111136.8 Ų136.878%0.77680%0.8SS**  trans-80.6121.7174.31730000111
519L33.7Very low39.4Very low152 Ų152134.8 Ų134.880%0.79680%0.797SS**  trans24.3106132.7-173.183.2000118.7
520L36.2Very low39.2Very low146 Ų146138.8 Ų138.876%0.76480%0.795SS**  trans177.5139.9131.5-129.849.6000106.6
521E34.4Very low39.5Very low144 Ų144138.5 Ų138.567%0.67379%0.789SS**  cis179.2169.5-8.2-178.5-177.7131.500105.2
522M37.8Very low40Very low165 Ų165141 Ų14181%0.81379%0.792SS**  trans97135.9161.9-69.2-65.7-147.700121.8
523A34.2Very low40.7Very low96 Ų96146.9 Ų146.979%0.79380%0.797SS**  trans73.177.4151.900000120.3
524G34.4Very low41.3Very low88 Ų88145.3 Ų145.391%0.90779%0.794SS**  59.6112.4107.500000120.6
525G33.3Very low41.8Very low77 Ų77144.5 Ų144.579%0.79480%0.798SS**  trans167.7105.2160.800000113.1Q527G525-Q527 PolarHBondContact O-N 3.16Å
526E45.6Very low42.9Very low196 Ų196151 Ų15192%0.91681%0.809SS**  trans-64.8129.4164.6-77.4-168.29800110.3
527Q40.6Very low43Very low194 Ų194149.7 Ų149.791%0.90781%0.809SS**  trans-147140.3147.9-77.1-147.523.500112.3G525G525-Q527 PolarHBondContact O-N 3.16Å
528D40.7Very low43.7Very low98 Ų98152 Ų15252%0.52481%0.806SS.*  trans-78.5118.3-173-17825.8000112.7K530D528-K530 VanDerWaalsContact C-N 3.35Å; D528-K530 PolarHBondContact O-N 3.25Å; D528-K530 VanDerWaalsContact OD1-CE 3.32Å; D528-K530 WeakPolarHBondContact OD1-CE 3.26Å; D528-K530 IonicContact OD1-NZ 2.7Å; D528-K530 PolarHBondContact OD1-NZ 3.45Å; D528-K530 WeakPolarHBondContact OD2-CD 3.27Å; D528-K530 IonicContact OD2-NZ 3.73Å; D528-K530 PolarHBondContact OD2-NZ 3.11Å
529P42.9Very low44.2Very low128 Ų128152.7 Ų152.783%0.83181%0.807SS**  trans-85.665-169.835.1-37000113.1
530K47.1Very low44.6Very low150 Ų150150 Ų15065%0.65281%0.807SS**  trans-113.4-6.4-177.4-66.9-173.4-171.7112.90117.1D528D528-K530 VanDerWaalsContact C-N 3.35Å; D528-K530 PolarHBondContact O-N 3.25Å; D528-K530 VanDerWaalsContact OD1-CE 3.32Å; D528-K530 WeakPolarHBondContact OD1-CE 3.26Å; D528-K530 IonicContact OD1-NZ 2.7Å; D528-K530 PolarHBondContact OD1-NZ 3.45Å; D528-K530 WeakPolarHBondContact OD2-CD 3.27Å; D528-K530 IonicContact OD2-NZ 3.73Å; D528-K530 PolarHBondContact OD2-NZ 3.11Å
531H50.8Low45.2Very low174 Ų174148.7 Ų148.781%0.80681%0.81SS**SBendtrans-118.11-168.3-67108.9000117.3
532L51.1Low46.1Very low172 Ų172150.3 Ų150.390%0.90182%0.823SS**  trans-104.141.6-173.5-61.5-179.1000115.2
533R51.9Low46.4Very low237 Ų237145.3 Ų145.389%0.89481%0.813SS**  trans-145.267.5177.2-68.8-171.2179.4153.91.4114.8
534N52.7Low47.2Very low145 Ų145147.1 Ų147.178%0.77581%0.814SS**  trans-162.136.3158-114.8-25.7000117.7
535T50.8Low48.3Very low148 Ų148146.6 Ų146.691%0.90881%0.809SS**  trans-118.243.3177.249.20000113.5
536R56.7Low49.6Very low226 Ų226151.7 Ų151.785%0.85381%0.809SS**SBendtrans-123.3120.3164.2-156.8177.1-164.9-157.64.4110.2R538R536-R538 PolarHBondContact O-N 3.38Å
537P48.8Very low50.2Low122 Ų122149 Ų14979%0.79280%0.801SS**PPolyproline II helixtrans-63.4131177.325.8-32.9000109.9
538R56Low50.3Low224 Ų224149.1 Ų149.185%0.84580%0.799SS**PPolyproline II helixtrans-75.8138.7171.9-68.6179.4178.6149.90.8108.9R536 A540R536-R538 PolarHBondContact O-N 3.38Å; R538-A540 PolarHBondContact O-N 3.35Å
539P48.4Very low50.6Low124 Ų124151.5 Ų151.581%0.80581%0.812SS**PPolyproline II helixtrans-60.9139.4170.926.8-33.6000109.8S541P539-S541 PolarHBondContact O-N 2.94Å
540A42.3Very low50.5Low97 Ų97154.8 Ų154.880%0.80282%0.816SS**PPolyproline II helixtrans-62.3126.4-178.400000110.7R538 L542R538-A540 PolarHBondContact O-N 3.35Å; A540-L542 PolarHBondContact O-N 3Å
541S48.9Very low50.5Low118 Ų118153.2 Ų153.283%0.82582%0.821SS**PPolyproline II helixtrans-71.2122.4167.6-174.50000108.3P539 G543P539-S541 PolarHBondContact O-N 2.94Å; S541-G543 PolarHBondContact O-N 3.27Å
542L52.4Low50Low178 Ų178155.2 Ų155.293%0.93283%0.827SS**  trans-71.468.2168.8-75.8170.1000110.1A540A540-L542 PolarHBondContact O-N 3Å
543G45.8Very low49.2Very low59 Ų59150.6 Ų150.661%0.60882%0.821SS**  trans-72.9125.2161.800000108.9S541 G545S541-G543 PolarHBondContact O-N 3.27Å; G543-G545 PolarHBondContact O-N 3.28Å
544T51.1Low48.5Very low134 Ų134148.9 Ų148.982%0.82282%0.823SS**  trans-63.8100.9172.747.50000109.5K546T544-K546 PolarHBondContact O-N 3.01Å; T544-K546 VanDerWaalsContact O-N 3.14Å
545G55.7Low47.5Very low77 Ų77145.1 Ų145.179%0.79482%0.819SS**  trans-67.1110.1-178.400000112.1G543G543-G545 PolarHBondContact O-N 3.28Å
546K62.2Low46.9Very low184 Ų184146 Ų14680%0.882%0.817SS**  trans-136.71.6173-161.157.7-179-177.70115T544T544-K546 PolarHBondContact O-N 3.01Å; T544-K546 VanDerWaalsContact O-N 3.14Å
547D57.3Low45.9Very low140 Ų140141.7 Ų141.775%0.74982%0.816SS**  trans-120.431.1-161.3-50.5-63.5000115.7
548F43.9Very low45.1Very low196 Ų196140.3 Ų140.386%0.8681%0.814SS**  trans-127.286.8174-65.8-68.9000112.6
549N46.2Very low44Very low148 Ų148135.7 Ų135.779%0.79182%0.817SS**  trans-152.667.6160.8-92.9-50.4000111.3
550H39.8Very low43.2Very low197 Ų197133.4 Ų133.491%0.91282%0.816SS**  trans-141.179.9164.6-75.5-52.6000112.5
551P48.6Very low43Very low118 Ų118135.4 Ų135.477%0.76682%0.818SS**  trans-91.7117.9147.431.7-26.4000109.6G553P551-G553 PolarHBondContact O-N 3Å
552K38.9Very low42.4Very low216 Ų216135.7 Ų135.794%0.93982%0.82SS**  trans-70.7113.2171178.2-178176.8-176.20108.7
553G35.7Very low41.5Very low75 Ų75136.5 Ų136.577%0.77382%0.819SS**  trans-127.4135.6174.900000110.1P551P551-G553 PolarHBondContact O-N 3Å
554E35.3Very low40.8Very low200 Ų200138.6 Ų138.694%0.93582%0.824SS**  trans-103.5137.8-166-178.4174.2179.500111.3
555G33.3Very low40.1Very low66 Ų66140.6 Ų140.668%0.6882%0.824SS**  trans132.3123.5161.200000118
556L37.5Very low39.1Very low167 Ų167145 Ų14587%0.87482%0.821SS**  trans76104.7145-58.2170.1000121.2
557V36.2Very low37.7Very low136 Ų136141.9 Ų141.982%0.82482%0.82SS**  42.5135129.8-149.60000121.4
558A32.3Very low36.5Very low92 Ų92142.3 Ų142.376%0.7682%0.817SS**  trans112.4104.4144.200000118.1
559S32.5Very low36.1Very low128 Ų128138.6 Ų138.690%0.89581%0.813SS**  trans25121.7130.9-158.10000119.5
560G31.2Very low35.4Very low76 Ų76138 Ų13878%0.78482%0.815SS**  trans-172.291.4168.200000112.8
561T38Very low35.7Very low139 Ų139136.9 Ų136.985%0.85381%0.81SS**  trans-68.6134169.3460000111.1
562S35.5Very low34.9Very low123 Ų123134.4 Ų134.486%0.8680%0.8SS**  trans-156.7111.9159.4-74.20000110.7
563E33.7Very low34.9Very low196 Ų196133.3 Ų133.392%0.91680%0.795SS**  trans-62.2147.6158.4-64.3169.173.100110
564S32.5Very low34.8Very low102 Ų102137.7 Ų137.771%0.71380%0.795SS**  -163.4121.4124.8-156.80000113.4
565Q35.5Very low34.9Very low177 Ų177135.3 Ų135.383%0.82778%0.784SS**  trans49.994.4141.5-63.6-177.2-21.400120.2
566K34.7Very low35.1Very low168 Ų168143 Ų14373%0.7379%0.792SS**PPolyproline II helixtrans-63.9129.4142.7169.8-168179.4-168.50110.7
567P32.4Very low35.2Very low120 Ų120142.3 Ų142.378%0.77979%0.785SS**PPolyproline II helixtrans-91.1128.8150.62.517.1000109.4
568Q33.2Very low35.8Very low148 Ų148140.3 Ų140.369%0.69278%0.777SS**PPolyproline II helixtrans-82.8140.1171.3-172.8168.4-38.500109.2T570Q568-T570 PolarHBondContact O-N 3.06Å
569P34.8Very low36.5Very low118 Ų118141.5 Ų141.577%0.76678%0.78SS**PPolyproline II helixtrans-70.8131.4-174.327.6-35000111.8
570T32.3Very low37.3Very low135 Ų135145 Ų14583%0.82878%0.778SS**PPolyproline II helixtrans-63.6133169.3-29.90000109.7Q568 A572Q568-T570 PolarHBondContact O-N 3.06Å; T570-A572 PolarHBondContact O-N 3Å
571Q46Very low38.3Very low174 Ų174148.3 Ų148.381%0.81378%0.778SS**  trans-61.1107.3171.5-91.2177.5-38.800110.4
572A30.4Very low39Very low67 Ų67148 Ų14855%0.55478%0.778SS**  trans-104.4120.5159.400000108.3T570 H574T570-A572 PolarHBondContact O-N 3Å; A572-H574 VanDerWaalsContact C-N 3.29Å; A572-H574 PolarHBondContact O-N 3.34Å
573F38.8Very low40.2Very low193 Ų193152.5 Ų152.585%0.84678%0.776SS**  trans-68.786.3174.5-76.2-95.5000109.8H575F573-H575 PolarHBondContact O-N 2.94Å
574H35.4Very low41.7Very low167 Ų167147.9 Ų147.977%0.77377%0.766SS**  trans-73.684167.8-72.7-69.3000109.7A572 R576A572-H574 VanDerWaalsContact C-N 3.29Å; A572-H574 PolarHBondContact O-N 3.34Å; H574-R576 PolarHBondContact O-N 3.25Å; H574-R576 VanDerWaalsContact O-N 3.07Å
575H35.8Very low43.3Very low149 Ų149152.9 Ų152.969%0.6978%0.778SS**  trans-48.2114.8154.1-175.7-118.7000106.9F573 E577F573-H575 PolarHBondContact O-N 2.94Å; H575-E577 IonicContact CE1-OE1 2.68Å; H575-E577 PolarHBondContact CE1-OE1 3.42Å; H575-E577 IonicContact CG-OE1 3.59Å; H575-E577 IonicContact ND1-OE1 3.96Å; H575-E577 PolarHBondContact ND1-OE1 3.01Å; H575-E577 PolarHBondContact O-N 2.94Å
576R38Very low45.1Very low227 Ų227146.9 Ų146.986%0.85776%0.763SS**  trans-81.364.1-169.3-146.1-141.7-122-796.3110.2H574 S578H574-R576 PolarHBondContact O-N 3.25Å; H574-R576 VanDerWaalsContact O-N 3.07Å; R576-S578 PolarHBondContact O-N 2.99Å
577E40.3Very low47.2Very low153 Ų153146.4 Ų146.472%0.71577%0.767SS**  trans-62.593.2162.3-87.2166.8-116.100108.3H575 S579H575-E577 IonicContact CE1-OE1 2.68Å; H575-E577 PolarHBondContact CE1-OE1 3.42Å; H575-E577 IonicContact CG-OE1 3.59Å; H575-E577 IonicContact ND1-OE1 3.96Å; H575-E577 PolarHBondContact ND1-OE1 3.01Å; H575-E577 PolarHBondContact O-N 2.94Å; E577-S579 PolarHBondContact O-N 3.09Å
578S48.7Very low49.4Very low94 Ų94145.9 Ų145.966%0.65777%0.766SS**  trans-41.8126.7160.8-55.70000108R576 K580R576-S578 PolarHBondContact O-N 2.99Å; S578-K580 VanDerWaalsContact C-N 3.27Å; S578-K580 PolarHBondContact O-N 3.5Å
579S47.6Very low51.7Low118 Ų118144.1 Ų144.183%0.82577%0.765SS**  trans-57.188.8-178.152.90000110.6E577 L581E577-S579 PolarHBondContact O-N 3.09Å; S579-L581 VanDerWaalsContact C-N 3.34Å; S579-L581 PolarHBondContact O-N 3.39Å
580K49Very low54.3Low200 Ų200146.2 Ų146.287%0.8777%0.767SS**  trans-68.798.9169.1-73.1176.6-178.31750105.9S578S578-K580 VanDerWaalsContact C-N 3.27Å; S578-K580 PolarHBondContact O-N 3.5Å
581L52.1Low56.8Low146 Ų146146.7 Ų146.776%0.76476%0.763SS**  trans-45.5152.8144.9-63172.9000108S579 R583S579-L581 VanDerWaalsContact C-N 3.34Å; S579-L581 PolarHBondContact O-N 3.39Å; L581-R583 PolarHBondContact O-N 2.92Å
582P52.7Low58.8Low133 Ų133143.4 Ų143.486%0.86476%0.758SS**  trans-62.281.5167.2-16.931000108.7S584P582-S584 PolarHBondContact O-N 3.25Å
583R60.7Low61.4Low218 Ų218143.8 Ų143.882%0.82375%0.754SS**  trans-62.7123170.3-168177.2-177.989.10103.9L581L581-R583 PolarHBondContact O-N 2.92Å
584S65.3Low63.8Low99 Ų99143.7 Ų143.769%0.69275%0.749SS**  trans-45.8155.616747.30000109.6P582 G586P582-S584 PolarHBondContact O-N 3.25Å; S584-G586 PolarHBondContact O-N 3.45Å
585Q66.3Low66.4Low207 Ų207141 Ų14197%0.96775%0.746SS**  trans-68.460.9-178.1-68.5165.8-31.600111.3
586G72.2Confident69Low50 Ų50141.5 Ų141.552%0.51575%0.748SS.*  trans-82.8123.3-176.500000110S584 S588S584-G586 PolarHBondContact O-N 3.45Å; G586-S588 PolarHBondContact O-N 2.93Å; G586-S588 VanDerWaalsContact O-N 3.13Å
587I78.5Confident71.4Confident158 Ų158135.3 Ų135.381%0.8173%0.732SS**  trans-59.9112.5180-57157.6000109V589I587-V589 HydrophobicContact CG2-CG2 4.01Å; I587-V589 PolarHBondContact O-N 3.02Å
588S80.4Confident74Confident110 Ų110130.6 Ų130.677%0.76971%0.711SS**  trans-83.696.7174.159.30000110.1G586 M590G586-S588 PolarHBondContact O-N 2.93Å; G586-S588 VanDerWaalsContact O-N 3.13Å; S588-M590 PolarHBondContact O-N 2.95Å
589V81.4Confident76.2Confident110 Ų110130.3 Ų130.367%0.66770%0.699SS**  trans-80.5115.3175.2-176.40000109.8I587 I591I587-V589 HydrophobicContact CG2-CG2 4.01Å; I587-V589 PolarHBondContact O-N 3.02Å; V589-I591 HydrophobicContact CG1-CG1 4.1Å
590M88.2Confident78.5Confident163 Ų163129.5 Ų129.580%0.80369%0.685SS**  trans-84.3113.2169.3-78.7-62.5-59.900109.8S588S588-M590 PolarHBondContact O-N 2.95Å
591I85.3Confident80.8Confident144 Ų144124.8 Ų124.874%0.73866%0.662SS**  trans-95.8106.3175.1-56.5177.5000108.7V589V589-I591 HydrophobicContact CG1-CG1 4.1Å
592C87.2Confident82.8Confident106 Ų106122.8 Ų122.872%0.71664%0.644SS**PPolyproline II helixtrans-84.1122.4170.7-650000109.6
593P85.9Confident84.9Confident74 Ų74121.2 Ų121.248%0.48162%0.624SS.*PPolyproline II helixtrans-64.8151.3174.126.9-32.9000111.1
594R88.9Confident86.6Confident192 Ų192113 Ų11373%0.72560%0.603SS**PPolyproline II helixtrans-69.3140.1-178.7-63.5-173.5-177.9-162.21.4111.3E596R594-E596 VanDerWaalsContact C-N 3.29Å; R594-E596 PolarHBondContact O-N 3.33Å
595P89.4Confident88.1Confident111 Ų111110.8 Ų110.872%0.72158%0.583SS**G310 helixtrans-73.2-18.4-178.130.6-36.6000113.8N597 E598P595-N597 PolarHBondContact O-N 2.97Å; P595-E598 VanDerWaalsContact O-CB 3.23Å; P595-E598 WeakPolarHBondContact O-CB 3.25Å; P595-E598 PolarHBondContact O-N 2.94Å; P595-E598 VanDerWaalsContact O-N 3.09Å
596E90.8Very high89.6Confident158 Ų158104.2 Ų104.274%0.73855%0.551SS**G310 helixtrans-55.8-34.8-178.2-172.3172.1-16200113.1R594R594-E596 VanDerWaalsContact C-N 3.29Å; R594-E596 PolarHBondContact O-N 3.33Å
597N89.8Confident90.8Very high97 Ų97110.8 Ų110.852%0.51957%0.565SS.*G310 helixtrans-104.921.7-179.2-59.8-38.2000112.7P595 E599 D600 R601P595-N597 PolarHBondContact O-N 2.97Å; N597-E599 VanDerWaalsContact C-N 3.31Å; N597-E599 PolarHBondContact O-N 3.17Å; N597-D600 PolarHBondContact O-N 3.34Å; N597-R601 WeakPolarHBondContact O-CB 3.47Å; N597-R601 PolarHBondContact O-N 2.79Å
598E94.1Very high91.7Very high55 Ų55109.2 Ų109.226%0.25756%0.558SS.*Hα-helixtrans-62.6-36-171.5-175.756.2-15500113.4P595 R601 R602P595-E598 VanDerWaalsContact O-CB 3.23Å; P595-E598 WeakPolarHBondContact O-CB 3.25Å; P595-E598 PolarHBondContact O-N 2.94Å; P595-E598 VanDerWaalsContact O-N 3.09Å; E598-R601 IonicContact OE1-CZ 3.34Å; E598-R601 IonicContact OE1-NE 3.84Å; E598-R601 IonicContact OE1-NH2 2.74Å; E598-R601 PolarHBondContact OE1-NH2 3.47Å; E598-R601 IonicContact OE2-CZ 3.36Å; E598-R601 IonicContact OE2-NE 3.67Å; E598-R601 PolarHBondContact OE2-NE 3.26Å; E598-R601 IonicContact OE2-NH2 2.64Å; E598-R601 PolarHBondContact OE2-NH2 2.81Å; E598-R602 WeakPolarHBondContact O-CB 3.31Å; E598-R602 VanDerWaalsContact O-CG 3.26Å; E598-R602 WeakPolarHBondContact O-CG 3.25Å; E598-R602 PolarHBondContact O-N 2.97Å; E598-R602 PolarHBondContact O-NE 3.01Å
599E95.3Very high92.5Very high87 Ų87107.1 Ų107.141%0.40755%0.554SS.*Hα-helixtrans-68.2-48.4177.6-176.555-146.900111.9N597 R601 R602 K603N597-E599 VanDerWaalsContact C-N 3.31Å; N597-E599 PolarHBondContact O-N 3.17Å; E599-R601 VanDerWaalsContact C-N 3.31Å; E599-R601 PolarHBondContact O-N 3.32Å; E599-R602 PolarHBondContact O-N 3.31Å; E599-R602 IonicContact OE2-CZ 2.71Å; E599-R602 IonicContact OE2-NE 3.97Å; E599-R602 IonicContact OE2-NH2 2.81Å; E599-R602 PolarHBondContact OE2-NH2 2.9Å; E599-K603 HydrophobicContact CG-CD 4.25Å; E599-K603 WeakPolarHBondContact O-CG 3.37Å; E599-K603 PolarHBondContact O-N 3.49Å; E599-K603 WeakPolarHBondContact OE1-CE 3.24Å; E599-K603 IonicContact OE1-NZ 2.68Å
600D96.3Very high93.2Very high101 Ų101108 Ų10854%0.5455%0.554SS.*Hα-helixtrans-68.8-32.4179.2-67.9-23.5000111.9N597 K603 A604N597-D600 PolarHBondContact O-N 3.34Å; D600-K603 PolarHBondContact O-N 2.96Å; D600-K603 IonicContact OD1-NZ 3.71Å; D600-A604 VanDerWaalsContact O-CB 3.25Å; D600-A604 WeakPolarHBondContact O-CB 3.49Å; D600-A604 PolarHBondContact O-N 3.01Å
601R95.6Very high93.6Very high102 Ų102103.7 Ų103.739%0.38553%0.534SS..Hα-helixtrans-61.1-48.2169.5-172.8174.579.6105.3-0.3111.2N597 E598 E599 A604 L605N597-R601 WeakPolarHBondContact O-CB 3.47Å; N597-R601 PolarHBondContact O-N 2.79Å; E598-R601 IonicContact OE1-CZ 3.34Å; E598-R601 IonicContact OE1-NE 3.84Å; E598-R601 IonicContact OE1-NH2 2.74Å; E598-R601 PolarHBondContact OE1-NH2 3.47Å; E598-R601 IonicContact OE2-CZ 3.36Å; E598-R601 IonicContact OE2-NE 3.67Å; E598-R601 PolarHBondContact OE2-NE 3.26Å; E598-R601 IonicContact OE2-NH2 2.64Å; E598-R601 PolarHBondContact OE2-NH2 2.81Å; E599-R601 VanDerWaalsContact C-N 3.31Å; E599-R601 PolarHBondContact O-N 3.32Å; R601-A604 PolarHBondContact O-N 3.23Å; R601-L605 HydrophobicContact CG-CD1 4.14Å; R601-L605 WeakPolarHBondContact O-CB 3.4Å; R601-L605 VanDerWaalsContact O-CG 3.25Å; R601-L605 WeakPolarHBondContact O-CG 3.25Å; R601-L605 PolarHBondContact O-N 3.15Å
602R95.6Very high93.9Very high104 Ų104107.7 Ų107.739%0.39254%0.54SS..Hα-helixtrans-63-45.2176.8-73.8179.6-61.5174.30.2111.6E598 E599 A604 L605 K606 L611E598-R602 WeakPolarHBondContact O-CB 3.31Å; E598-R602 VanDerWaalsContact O-CG 3.26Å; E598-R602 WeakPolarHBondContact O-CG 3.25Å; E598-R602 PolarHBondContact O-N 2.97Å; E598-R602 PolarHBondContact O-NE 3.01Å; E599-R602 PolarHBondContact O-N 3.31Å; E599-R602 IonicContact OE2-CZ 2.71Å; E599-R602 IonicContact OE2-NE 3.97Å; E599-R602 IonicContact OE2-NH2 2.81Å; E599-R602 PolarHBondContact OE2-NH2 2.9Å; R602-A604 PolarHBondContact O-N 3.06Å; R602-L605 PolarHBondContact O-N 3.03Å; R602-K606 WeakPolarHBondContact O-CB 3.31Å; R602-K606 WeakPolarHBondContact O-CG 3.38Å; R602-K606 PolarHBondContact O-N 3.39Å; R602-L611 HydrophobicContact CB-CD2 4.08Å; R602-L611 HydrophobicContact CG-CD2 3.98Å
603K96.6Very high93.6Very high99 Ų99111.9 Ų111.943%0.4356%0.555SS.*Hα-helixtrans-58.7-42.3173.6-73166.9176.8156.80112.7E599 D600 K606 K607E599-K603 HydrophobicContact CG-CD 4.25Å; E599-K603 WeakPolarHBondContact O-CG 3.37Å; E599-K603 PolarHBondContact O-N 3.49Å; E599-K603 WeakPolarHBondContact OE1-CE 3.24Å; E599-K603 IonicContact OE1-NZ 2.68Å; D600-K603 PolarHBondContact O-N 2.96Å; D600-K603 IonicContact OD1-NZ 3.71Å; K603-K606 PolarHBondContact O-N 3.11Å; K603-K607 WeakPolarHBondContact O-CB 3.43Å; K603-K607 WeakPolarHBondContact O-CG 3.45Å; K603-K607 PolarHBondContact O-N 3.23Å
604A96.3Very high94Very high47 Ų47113.8 Ų113.839%0.38856%0.559SS.*Hα-helixtrans-66-44176.800000111.7D600 R601 R602 K606 K607 L608D600-A604 VanDerWaalsContact O-CB 3.25Å; D600-A604 WeakPolarHBondContact O-CB 3.49Å; D600-A604 PolarHBondContact O-N 3.01Å; R601-A604 PolarHBondContact O-N 3.23Å; R602-A604 PolarHBondContact O-N 3.06Å; A604-K606 VanDerWaalsContact C-N 3.34Å; A604-K606 PolarHBondContact O-N 2.93Å; A604-K607 PolarHBondContact O-N 2.97Å; A604-L608 WeakPolarHBondContact O-CB 3.22Å; A604-L608 VanDerWaalsContact O-CG 3.29Å; A604-L608 WeakPolarHBondContact O-CG 3.35Å; A604-L608 PolarHBondContact O-N 3.36Å
605L97.3Very high94.3Very high51 Ų51109.7 Ų109.727%0.26755%0.55SS.*Hα-helixtrans-64.3-37.4176-68.4170.5000112.2R601 R602 L608 G609 L610 L611R601-L605 HydrophobicContact CG-CD1 4.14Å; R601-L605 WeakPolarHBondContact O-CB 3.4Å; R601-L605 VanDerWaalsContact O-CG 3.25Å; R601-L605 WeakPolarHBondContact O-CG 3.25Å; R601-L605 PolarHBondContact O-N 3.15Å; R602-L605 PolarHBondContact O-N 3.03Å; L605-L608 PolarHBondContact O-N 3.34Å; L605-G609 PolarHBondContact O-N 2.86Å; L605-L610 HydrophobicContact CB-CB 4.39Å; L605-L610 HydrophobicContact CD2-CB 3.96Å; L605-L610 HydrophobicContact CD2-CD1 3.83Å; L605-L610 PolarHBondContact O-N 3.11Å; L605-L611 HydrophobicContact CB-CB 3.74Å; L605-L611 HydrophobicContact CB-CD2 4.35Å; L605-L611 PolarHBondContact O-N 3.24Å
606K97.4Very high94.6Very high70 Ų70109.6 Ų109.630%0.30454%0.541SS..Hα-helixtrans-61.9-49.3171.3-73.8177170.6-152.90111.6R602 K603 A604 L608 G609 L611 R612 D613R602-K606 WeakPolarHBondContact O-CB 3.31Å; R602-K606 WeakPolarHBondContact O-CG 3.38Å; R602-K606 PolarHBondContact O-N 3.39Å; K603-K606 PolarHBondContact O-N 3.11Å; A604-K606 VanDerWaalsContact C-N 3.34Å; A604-K606 PolarHBondContact O-N 2.93Å; K606-L608 PolarHBondContact O-N 2.89Å; K606-G609 PolarHBondContact O-N 2.8Å; K606-L611 WeakPolarHBondContact CA-O 2.76Å; K606-L611 HydrophobicContact CG-CB 4.16Å; K606-L611 HydrophobicContact CG-CD2 4.32Å; K606-L611 HydrophobicContact CG-CG 4.23Å; K606-R612 WeakPolarHBondContact CE-O 3.31Å; K606-D613 VanDerWaalsContact CD-OD1 3.31Å; K606-D613 WeakPolarHBondContact CD-OD1 3.26Å; K606-D613 WeakPolarHBondContact CE-OD1 3.29Å; K606-D613 WeakPolarHBondContact CE-OXT 3.37Å; K606-D613 VanDerWaalsContact NZ-CA 3.3Å; K606-D613 IonicContact NZ-OD1 2.8Å; K606-D613 PolarHBondContact NZ-OD1 2.92Å; K606-D613 PolarHBondContact NZ-OXT 3.41Å
607K97.1Very high94.8Very high187 Ų187106.8 Ų106.881%0.81353%0.529SS*.Hα-helixtrans-60.2-28.9174.5-75.9-178.9176.6-1750114.2K603 A604 G609K603-K607 WeakPolarHBondContact O-CB 3.43Å; K603-K607 WeakPolarHBondContact O-CG 3.45Å; K603-K607 PolarHBondContact O-N 3.23Å; A604-K607 PolarHBondContact O-N 2.97Å; K607-G609 VanDerWaalsContact C-N 3.34Å
608L97.3Very high95.1Very high125 Ų125107.4 Ų107.465%0.65453%0.53SS*.THydrogen-bonded Turntrans-85.5-1.5175.3-68.9172.5000113.5A604 L605 K606 L610A604-L608 WeakPolarHBondContact O-CB 3.22Å; A604-L608 VanDerWaalsContact O-CG 3.29Å; A604-L608 WeakPolarHBondContact O-CG 3.35Å; A604-L608 PolarHBondContact O-N 3.36Å; L605-L608 PolarHBondContact O-N 3.34Å; K606-L608 PolarHBondContact O-N 2.89Å; L608-L610 HydrophobicContact CB-CD1 3.92Å; L608-L610 HydrophobicContact CB-CG 3.97Å; L608-L610 HydrophobicContact CD1-CD1 4.08Å; L608-L610 PolarHBondContact O-N 2.96Å
609G96.5Very high95.2Very high66 Ų66110.9 Ų110.968%0.6855%0.548SS*.THydrogen-bonded Turntrans67.114.4-174.700000114.3L605 K606 K607L605-G609 PolarHBondContact O-N 2.86Å; K606-G609 PolarHBondContact O-N 2.8Å; K607-G609 VanDerWaalsContact C-N 3.34Å
610L97.1Very high95.2Very high129 Ų129112.6 Ų112.668%0.67556%0.558SS**SBendtrans-88.1-15.6179.7-65.9174.2000112.7L605 L608L605-L610 HydrophobicContact CB-CB 4.39Å; L605-L610 HydrophobicContact CD2-CB 3.96Å; L605-L610 HydrophobicContact CD2-CD1 3.83Å; L605-L610 PolarHBondContact O-N 3.11Å; L608-L610 HydrophobicContact CB-CD1 3.92Å; L608-L610 HydrophobicContact CB-CG 3.97Å; L608-L610 HydrophobicContact CD1-CD1 4.08Å; L608-L610 PolarHBondContact O-N 2.96Å
611L95.9Very high95.1Very high72 Ų72113.5 Ų113.538%0.37756%0.559SS.*SBendtrans-134.7133.2175.2-173.861000107.7R602 L605 K606R602-L611 HydrophobicContact CB-CD2 4.08Å; R602-L611 HydrophobicContact CG-CD2 3.98Å; L605-L611 HydrophobicContact CB-CB 3.74Å; L605-L611 HydrophobicContact CB-CD2 4.35Å; L605-L611 PolarHBondContact O-N 3.24Å; K606-L611 WeakPolarHBondContact CA-O 2.76Å; K606-L611 HydrophobicContact CG-CB 4.16Å; K606-L611 HydrophobicContact CG-CD2 4.32Å; K606-L611 HydrophobicContact CG-CG 4.23Å
612R92.3Very high95Very high229 Ų229114.4 Ų114.486%0.86457%0.574SS**  trans-83.4165.6172-68.8-171.5-67.6177.41.1110K606K606-R612 WeakPolarHBondContact CE-O 3.31Å
613D80.8Confident95Very high194 Ų194115.4 Ų115.4100%1.03759%0.59SS**  trans-65.30-174.6-90.5-61.4000114.8K606K606-D613 VanDerWaalsContact CD-OD1 3.31Å; K606-D613 WeakPolarHBondContact CD-OD1 3.26Å; K606-D613 WeakPolarHBondContact CE-OD1 3.29Å; K606-D613 WeakPolarHBondContact CE-OXT 3.37Å; K606-D613 VanDerWaalsContact NZ-CA 3.3Å; K606-D613 IonicContact NZ-OD1 2.8Å; K606-D613 PolarHBondContact NZ-OD1 2.92Å; K606-D613 PolarHBondContact NZ-OXT 3.41Å

Retrieved 613 of 613 residues in 72.9 ms (Link to these results)