A0A096NR00_PAPAN Loading...

Cyclic AMP-responsive element-binding protein 3-like protein 2

AlphaFold DB , UniProt , Accession A0A096NR00, Species PAPAN (Papio anubis, Olive baboon), Gene CREB3L2, Length 520 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
1M38.7Very low35.7Very low218 Ų218145.1 Ų145.1100%1.07482%0.818SS**  082.30-67.2169.9-178.600108.1
2E38.5Very low35.4Very low166 Ų166145.5 Ų145.578%0.77682%0.816SS**  cis77.6135.945.3-60.3149.6138.100112.7
3V38.1Very low35Very low121 Ų121145.5 Ų145.573%0.73381%0.805SS**  cis-164.7157.3-18.874.60000109.1
4L41.5Very low34.9Very low144 Ų144150.6 Ų150.675%0.75481%0.807SS**  trans66151.8172.6-60.1166.7000115.4
5E38.4Very low34.7Very low172 Ų172150.4 Ų150.480%0.80481%0.805SS**  cis-141.5166.7-0.7-148.5159.1158.600112.6
6S36.3Very low34.7Very low120 Ų120154.8 Ų154.884%0.83981%0.807SS**  trans-69.3170.8178.5-52.40000113.4
7G31.6Very low34.6Very low69 Ų69156 Ų15671%0.71180%0.804SS**  cis159.6160.7-5.600000113.1
8E33.1Very low34.5Very low187 Ų187157.3 Ų157.387%0.87481%0.812SS**  trans34118.8158.1-63.5-178.9116.200123.8
9Q35.8Very low34.3Very low197 Ų197154.4 Ų154.492%0.92181%0.807SS**  20.5124.8124.7-54.2-18022.700121.2
10G29.8Very low34.2Very low69 Ų69156 Ų15671%0.71181%0.81SS**  trans170.2125.8163.800000108
11V30.2Very low34.3Very low133 Ų133156.7 Ų156.781%0.80681%0.814SS**  cis71.2126.936-161.80000112.5
12L32Very low34Very low150 Ų150151.6 Ų151.679%0.78580%0.8SS**  trans74.8153.1-178.7-54.5-171.2000115
13Q31Very low34.2Very low145 Ų145151.3 Ų151.368%0.67880%0.798SS**  cis-171163.1-15.7166.8171.4-5.700109.9
14W32.8Very low34.8Very low218 Ų218151.1 Ų151.183%0.82680%0.8SS**  trans-5.8146.3175.8-54.8110.4000121.2
15D33.1Very low34.2Very low147 Ų147147.9 Ų147.979%0.78680%0.801SS**  -134.1154.1124.1-155.5-9.6000111.4
16R34.1Very low34.1Very low221 Ų221147.3 Ų147.383%0.83480%0.803SS**  trans-151.946.3-173.4-159.4-160.8-159.2-150.65.1112.1
17K32.5Very low33.9Very low175 Ų175144.6 Ų144.676%0.76180%0.795SS**  trans-145.8101.7170-80.6-158.5173.9-167.10114.3
18L32.7Very low34Very low180 Ų180150.1 Ų150.194%0.94280%0.802SS**  trans-151.984.5138.6-82.4-167.3000108.8
19S31Very low34.3Very low102 Ų102145.5 Ų145.571%0.71380%0.796SS**  trans-85.3171.1157.7-58.10000109.3
20E32.3Very low34.6Very low186 Ų186142.9 Ų142.987%0.86979%0.788SS**  trans69.677.5160.7-63163.9-142.300117.2
21L35.7Very low35Very low171 Ų171148.6 Ų148.690%0.89580%0.798SS**  trans-132.7102.7137.6-82.8-175.6000111.1
22S33.2Very low35.5Very low111 Ų111151.7 Ų151.778%0.77680%0.797SS**  trans7.7121.3159.5590000121.4
23E42.9Very low35.9Very low159 Ų159152.8 Ų152.874%0.74380%0.797SS**  trans-50.9-179.1140.3-111.3-149.798.500114.2G25E23-G25 PolarHBondContact OE1-N 3.47Å
24P50.4Low36.5Very low118 Ų118149.7 Ų149.777%0.76679%0.788SS**  cis-133.617019.740.5-22.5000118.2
25G29.9Very low37Very low76 Ų76145.1 Ų145.178%0.78478%0.776SS**  trans-158.955.8173.800000112.7E23E23-G25 PolarHBondContact OE1-N 3.47Å
26D34.6Very low37.7Very low159 Ų159145.6 Ų145.685%0.8577%0.771SS**  trans-75.2150.8-167.1-162.94.2000114.5
27G33.1Very low38.5Very low64 Ų64139.4 Ų139.466%0.6676%0.762SS**  trans148.886.3176.200000116.6
28E33.7Very low39.6Very low185 Ų185136.5 Ų136.586%0.86475%0.751SS**  trans35.5107.8156.9-58.6-174.3124.900118.8
29A39.1Very low40.8Very low90 Ų90133 Ų13374%0.74473%0.733SS**  72145.366.800000116
30L42Very low42.2Very low142 Ų142132.5 Ų132.574%0.74372%0.721SS**  trans6563.7169.2-60.3176.2000118.6Y32L30-Y32 HydrophobicContact CD2-CD2 4.46Å; L30-Y32 HydrophobicContact CD2-CE2 4.07Å
31M38.4Very low43.4Very low188 Ų188127.8 Ų127.893%0.92670%0.702SS**  trans-132.9102.4133.3-87.5-61.6179.500109.6
32Y40.8Very low44.6Very low199 Ų199125.6 Ų125.678%0.7869%0.688SS**  trans-65.6132.7169.8-82.7-101.2000109.1L30 T34L30-Y32 HydrophobicContact CD2-CD2 4.46Å; L30-Y32 HydrophobicContact CD2-CE2 4.07Å; Y32-T34 PolarHBondContact O-N 2.92Å
33H41.6Very low45.7Very low172 Ų172127 Ų12780%0.79668%0.68SS**  trans-78.268168-167.9-30.9000109.3H35H33-H35 PolarHBondContact O-N 3.11Å
34T42.1Very low46.4Very low80 Ų80122.1 Ų122.149%0.49166%0.663SS.*  trans-51.1130.8176-45.40000109.6Y32 F36Y32-T34 PolarHBondContact O-N 2.92Å; T34-F36 PolarHBondContact O-N 3.2Å
35H44.3Very low46.7Very low122 Ų122122.5 Ų122.557%0.56566%0.655SS**  trans-74.2129-179.9-71.1-90.5000108.7H33 S37 E38 L39H33-H35 PolarHBondContact O-N 3.11Å; H35-S37 PolarHBondContact O-N 3.04Å; H35-E38 HydrophobicContact CB-CG 4.17Å; H35-E38 IonicContact CD2-OE2 3.96Å; H35-E38 PolarHBondContact N-OE2 2.91Å; H35-E38 WeakPolarHBondContact O-CB 3.27Å; H35-E38 PolarHBondContact O-N 3.03Å; H35-L39 PolarHBondContact O-N 3.38Å
36F47Very low48.1Very low158 Ų158123.6 Ų123.669%0.69364%0.643SS**Hα-helixtrans-54.5-28.9-177-178-108.4000113T34 L40T34-F36 PolarHBondContact O-N 3.2Å; F36-L40 HydrophobicContact CD1-CD1 3.87Å; F36-L40 HydrophobicContact CE1-CD1 3.56Å; F36-L40 HydrophobicContact CE1-CG 4.3Å; F36-L40 HydrophobicContact CZ-CD1 4.15Å; F36-L40 HydrophobicContact CZ-CG 4.48Å; F36-L40 WeakPolarHBondContact O-CG 3.44Å; F36-L40 PolarHBondContact O-N 3.03Å
37S52.2Low49.5Very low91 Ų91119.4 Ų119.464%0.63662%0.623SS**Hα-helixtrans-64.9-38.5172.8-50.40000114H35 L40 D41H35-S37 PolarHBondContact O-N 3.04Å; S37-L40 PolarHBondContact O-N 3.43Å; S37-D41 WeakPolarHBondContact O-CB 3.36Å; S37-D41 PolarHBondContact O-N 3.07Å
38E53.9Low50.8Low113 Ų113121.2 Ų121.253%0.52862%0.617SS.*Hα-helixtrans-66.7-41.5179.8-63.9173.9133.400110.6H35 L40 D41 E42H35-E38 HydrophobicContact CB-CG 4.17Å; H35-E38 IonicContact CD2-OE2 3.96Å; H35-E38 PolarHBondContact N-OE2 2.91Å; H35-E38 WeakPolarHBondContact O-CB 3.27Å; H35-E38 PolarHBondContact O-N 3.03Å; E38-L40 VanDerWaalsContact C-N 3.29Å; E38-L40 PolarHBondContact O-N 2.92Å; E38-D41 PolarHBondContact O-N 2.81Å; E38-E42 PolarHBondContact O-N 2.86Å
39L58.5Low52.1Low107 Ų107113.7 Ų113.756%0.5659%0.589SS**Hα-helixtrans-65.1-33.6176.5-152.483.3000112.2H35 F43H35-L39 PolarHBondContact O-N 3.38Å; L39-F43 WeakPolarHBondContact O-CB 3.34Å; L39-F43 PolarHBondContact O-N 3.42Å
40L60.1Low53.2Low91 Ų91116.9 Ų116.948%0.47659%0.589SS.*Hα-helixtrans-72.9-37.5173.5-77.7174.6000112.5F36 S37 E38 S44F36-L40 HydrophobicContact CD1-CD1 3.87Å; F36-L40 HydrophobicContact CE1-CD1 3.56Å; F36-L40 HydrophobicContact CE1-CG 4.3Å; F36-L40 HydrophobicContact CZ-CD1 4.15Å; F36-L40 HydrophobicContact CZ-CG 4.48Å; F36-L40 WeakPolarHBondContact O-CG 3.44Å; F36-L40 PolarHBondContact O-N 3.03Å; S37-L40 PolarHBondContact O-N 3.43Å; E38-L40 VanDerWaalsContact C-N 3.29Å; E38-L40 PolarHBondContact O-N 2.92Å; L40-S44 WeakPolarHBondContact O-CB 3.48Å; L40-S44 PolarHBondContact O-N 3.45Å
41D57.8Low54Low88 Ų88115.2 Ų115.247%0.47158%0.58SS.*Hα-helixtrans-74.7-39.9-178.4-145.364.4000111.6S37 E38 S44 Q45S37-D41 WeakPolarHBondContact O-CB 3.36Å; S37-D41 PolarHBondContact O-N 3.07Å; E38-D41 PolarHBondContact O-N 2.81Å; D41-S44 WeakPolarHBondContact O-CB 3.2Å; D41-S44 PolarHBondContact O-N 3.49Å; D41-Q45 WeakPolarHBondContact O-CB 3.21Å; D41-Q45 VanDerWaalsContact O-CG 3.27Å; D41-Q45 WeakPolarHBondContact O-CG 3.38Å; D41-Q45 PolarHBondContact O-N 3.29Å; D41-Q45 PolarHBondContact OD2-NE2 3.04Å
42E61.5Low54.9Low125 Ų125112.7 Ų112.758%0.58457%0.57SS**Hα-helixtrans-63.8-40.5171.5-173177.2-165.700111.8E38 N46E38-E42 PolarHBondContact O-N 2.86Å; E42-N46 WeakPolarHBondContact O-CB 3.43Å; E42-N46 PolarHBondContact O-N 3.12Å; E42-N46 VanDerWaalsContact O-N 3.09Å; E42-N46 PolarHBondContact O-ND2 3.47Å
43F55.1Low55.5Low140 Ų140109.5 Ų109.561%0.61457%0.566SS**Hα-helixtrans-64.6-42.5173.7-175.7-98.4000111.9L39 V47L39-F43 WeakPolarHBondContact O-CB 3.34Å; L39-F43 PolarHBondContact O-N 3.42Å; F43-V47 HydrophobicContact CD1-CG2 4.39Å; F43-V47 HydrophobicContact CD2-CG2 4.09Å; F43-V47 HydrophobicContact CE1-CG2 4.18Å; F43-V47 HydrophobicContact CE2-CG2 3.87Å; F43-V47 HydrophobicContact CG-CG2 4.35Å; F43-V47 HydrophobicContact CZ-CG2 3.92Å; F43-V47 VanDerWaalsContact O-CB 3.29Å; F43-V47 WeakPolarHBondContact O-CB 3.49Å; F43-V47 VanDerWaalsContact O-CG2 3.28Å; F43-V47 WeakPolarHBondContact O-CG2 3.31Å; F43-V47 PolarHBondContact O-N 2.97Å
44S57.4Low56.1Low57 Ų57104.2 Ų104.240%0.39954%0.543SS..Hα-helixtrans-59.6-54.8175.8-179.20000111.3L40 D41 N46 V47 L48L40-S44 WeakPolarHBondContact O-CB 3.48Å; L40-S44 PolarHBondContact O-N 3.45Å; D41-S44 WeakPolarHBondContact O-CB 3.2Å; D41-S44 PolarHBondContact O-N 3.49Å; S44-N46 PolarHBondContact O-N 3.17Å; S44-V47 PolarHBondContact O-N 3.33Å; S44-L48 WeakPolarHBondContact O-CB 3.49Å; S44-L48 PolarHBondContact O-N 3.23Å
45Q56.5Low56.6Low126 Ų126105 Ų10559%0.58955%0.55SS*.Hα-helixtrans-61.4-42.3-177.3-68.9179.838.400112D41 G49D41-Q45 WeakPolarHBondContact O-CB 3.21Å; D41-Q45 VanDerWaalsContact O-CG 3.27Å; D41-Q45 WeakPolarHBondContact O-CG 3.38Å; D41-Q45 PolarHBondContact O-N 3.29Å; D41-Q45 PolarHBondContact OD2-NE2 3.04Å; Q45-G49 WeakPolarHBondContact O-CA 3.46Å; Q45-G49 PolarHBondContact O-N 3.46Å
46N60.6Low56.8Low98 Ų98107.5 Ų107.552%0.52456%0.559SS.*Hα-helixtrans-73.8-42.3-179.4-73.4-24.6000113.3E42 S44 Q50E42-N46 WeakPolarHBondContact O-CB 3.43Å; E42-N46 PolarHBondContact O-N 3.12Å; E42-N46 VanDerWaalsContact O-N 3.09Å; E42-N46 PolarHBondContact O-ND2 3.47Å; S44-N46 PolarHBondContact O-N 3.17Å; N46-Q50 WeakPolarHBondContact O-CG 3.41Å; N46-Q50 PolarHBondContact O-N 3.05Å
47V63.5Low56.9Low72 Ų72104.7 Ų104.744%0.43655%0.551SS.*Hα-helixtrans-76-44.8-178.4175.70000111.5F43 S44 G49 Q50 L51F43-V47 HydrophobicContact CD1-CG2 4.39Å; F43-V47 HydrophobicContact CD2-CG2 4.09Å; F43-V47 HydrophobicContact CE1-CG2 4.18Å; F43-V47 HydrophobicContact CE2-CG2 3.87Å; F43-V47 HydrophobicContact CG-CG2 4.35Å; F43-V47 HydrophobicContact CZ-CG2 3.92Å; F43-V47 VanDerWaalsContact O-CB 3.29Å; F43-V47 WeakPolarHBondContact O-CB 3.49Å; F43-V47 VanDerWaalsContact O-CG2 3.28Å; F43-V47 WeakPolarHBondContact O-CG2 3.31Å; F43-V47 PolarHBondContact O-N 2.97Å; S44-V47 PolarHBondContact O-N 3.33Å; V47-G49 VanDerWaalsContact C-N 3.32Å; V47-Q50 PolarHBondContact O-N 3.3Å; V47-L51 PolarHBondContact O-N 2.84Å
48L60.6Low56.6Low101 Ų101104.2 Ų104.253%0.52955%0.548SS..Hα-helixtrans-67.6-36.7176.8-153.690.9000110.8S44 L51 L52S44-L48 WeakPolarHBondContact O-CB 3.49Å; S44-L48 PolarHBondContact O-N 3.23Å; L48-L51 PolarHBondContact O-N 2.81Å; L48-L52 HydrophobicContact CD2-CD1 4.18Å; L48-L52 HydrophobicContact CG-CD1 4.28Å; L48-L52 WeakPolarHBondContact O-CB 3.32Å; L48-L52 WeakPolarHBondContact O-CG 3.47Å; L48-L52 PolarHBondContact O-N 2.97Å
49G60Low56Low28 Ų28107 Ų10729%0.28956%0.561SS.*Hα-helixtrans-60.2-44.8172.900000112.8Q45 V47 N53Q45-G49 WeakPolarHBondContact O-CA 3.46Å; Q45-G49 PolarHBondContact O-N 3.46Å; V47-G49 VanDerWaalsContact C-N 3.32Å; G49-N53 WeakPolarHBondContact O-CB 3.35Å; G49-N53 PolarHBondContact O-N 2.83Å; G49-N53 PolarHBondContact O-ND2 2.9Å
50Q62.8Low55.3Low156 Ų156110.7 Ų110.773%0.72957%0.572SS**Hα-helixtrans-66.1-40.9174.7-77.7-174.6-6.500112.7N46 V47 L52 N53N46-Q50 WeakPolarHBondContact O-CG 3.41Å; N46-Q50 PolarHBondContact O-N 3.05Å; V47-Q50 PolarHBondContact O-N 3.3Å; Q50-L52 VanDerWaalsContact C-N 3.32Å; Q50-L52 PolarHBondContact O-N 3.15Å; Q50-N53 PolarHBondContact O-N 3.44Å
51L58.7Low54.5Low108 Ų108111.1 Ų111.157%0.56558%0.583SS**Hα-helixtrans-63.2-36.7179.3-173.465.8000112.7V47 L48V47-L51 PolarHBondContact O-N 2.84Å; L48-L51 PolarHBondContact O-N 2.81Å
52L58.1Low54Low135 Ų135112.7 Ų112.771%0.70760%0.596SS**Hα-helixtrans-82.6-9.6178.9-67.1171.7000114L48 Q50L48-L52 HydrophobicContact CD2-CD1 4.18Å; L48-L52 HydrophobicContact CG-CD1 4.28Å; L48-L52 WeakPolarHBondContact O-CB 3.32Å; L48-L52 WeakPolarHBondContact O-CG 3.47Å; L48-L52 PolarHBondContact O-N 2.97Å; Q50-L52 VanDerWaalsContact C-N 3.32Å; Q50-L52 PolarHBondContact O-N 3.15Å
53N52.4Low53.2Low132 Ų132112.2 Ų112.271%0.70661%0.606SS**THydrogen-bonded Turntrans-103.113.5176.3-79.8-88.5000113.3G49 Q50 P55G49-N53 WeakPolarHBondContact O-CB 3.35Å; G49-N53 PolarHBondContact O-N 2.83Å; G49-N53 PolarHBondContact O-ND2 2.9Å; Q50-N53 PolarHBondContact O-N 3.44Å; N53-P55 VanDerWaalsContact O-CD 3.29Å; N53-P55 WeakPolarHBondContact O-CD 3.28Å
54D53.9Low52.5Low60 Ų60113.8 Ų113.832%0.32162%0.617SS.*  trans-68.7114.9174.7-174.6-8.7000111.1F56 L57D54-F56 PolarHBondContact O-N 3.49Å; D54-F56 VanDerWaalsContact O-N 3.13Å; D54-F56 WeakPolarHBondContact OD1-CB 3.33Å; D54-F56 WeakPolarHBondContact OD1-CD2 3.47Å; D54-F56 PolarHBondContact OD1-N 3.03Å; D54-L57 HydrophobicContact CB-CB 4.45Å; D54-L57 HydrophobicContact CB-CD1 3.98Å; D54-L57 HydrophobicContact CB-CG 3.96Å; D54-L57 PolarHBondContact O-N 3.45Å; D54-L57 VanDerWaalsContact O-N 3.11Å
55P54.3Low51.6Low96 Ų96120.2 Ų120.262%0.62364%0.641SS**THydrogen-bonded Turntrans-65.6-13.4179.629.2-36.5000113.7N53 S58N53-P55 VanDerWaalsContact O-CD 3.29Å; N53-P55 WeakPolarHBondContact O-CD 3.28Å; P55-S58 PolarHBondContact O-OG 3.33Å
56F47.6Very low51.1Low175 Ų175119.4 Ų119.477%0.76864%0.644SS**THydrogen-bonded Turntrans-85.1-10.3175.3-66.9-80.7000113.9D54D54-F56 PolarHBondContact O-N 3.49Å; D54-F56 VanDerWaalsContact O-N 3.13Å; D54-F56 WeakPolarHBondContact OD1-CB 3.33Å; D54-F56 WeakPolarHBondContact OD1-CD2 3.47Å; D54-F56 PolarHBondContact OD1-N 3.03Å
57L49.4Very low50Low99 Ų99121.6 Ų121.652%0.51865%0.652SS.*THydrogen-bonded Turntrans-94.5-25.4178.5-63-177.5000113.4D54 E59 K60D54-L57 HydrophobicContact CB-CB 4.45Å; D54-L57 HydrophobicContact CB-CD1 3.98Å; D54-L57 HydrophobicContact CB-CG 3.96Å; D54-L57 PolarHBondContact O-N 3.45Å; D54-L57 VanDerWaalsContact O-N 3.11Å; L57-E59 VanDerWaalsContact C-N 3.28Å; L57-E59 PolarHBondContact O-N 2.91Å; L57-K60 PolarHBondContact O-N 2.85Å
58S46.1Very low48.7Very low82 Ų82124.1 Ų124.157%0.57367%0.67SS**G310 helixtrans-68.9-22.1-178.3620000114.2P55 K60 S61P55-S58 PolarHBondContact O-OG 3.33Å; S58-K60 VanDerWaalsContact C-N 3.26Å; S58-K60 PolarHBondContact O-N 3.3Å; S58-S61 PolarHBondContact O-OG 2.79Å
59E41.6Very low47.4Very low171 Ų171123.6 Ų123.680%0.79967%0.674SS**G310 helixtrans-76.2-12.5177.1-161.3172.2-148.400112.7L57L57-E59 VanDerWaalsContact C-N 3.28Å; L57-E59 PolarHBondContact O-N 2.91Å
60K44.1Very low46.8Very low184 Ų184127.5 Ų127.580%0.870%0.695SS**G310 helixtrans-96.2-7.1-172.8-156.959.6175.8179.50115.2L57 S58L57-K60 PolarHBondContact O-N 2.85Å; S58-K60 VanDerWaalsContact C-N 3.26Å; S58-K60 PolarHBondContact O-N 3.3Å
61S41.6Very low45.4Very low100 Ų100126.7 Ų126.770%0.69970%0.7SS**  trans-90.39.6-179.157.30000114.9S58S58-S61 PolarHBondContact O-OG 2.79Å
62V47.8Very low44.3Very low122 Ų122126.9 Ų126.974%0.73971%0.711SS**  trans-101.678.5177.3-174.30000111
63S44.7Very low43.8Very low115 Ų115126.7 Ų126.780%0.80472%0.718SS**SBendtrans-173.3147.8157.5-84.20000111.8
64M40.4Very low43.3Very low172 Ų172124.7 Ų124.785%0.84772%0.719SS**  trans69.445.8163.7-154.8164.5173.700116.8V66M64-V66 HydrophobicContact CE-CG2 4.36Å; M64-V66 HydrophobicContact CG-CG2 3.9Å
65E39Very low42.9Very low193 Ų193127.3 Ų127.390%0.90274%0.74SS**  trans-66.3123.5146.6-177.6172.9-143.800108.5
66V45.3Very low42.3Very low108 Ų108130.1 Ų130.166%0.65575%0.749SS**  trans-120.8102.7176.3175.60000107.8M64 P68M64-V66 HydrophobicContact CE-CG2 4.36Å; M64-V66 HydrophobicContact CG-CG2 3.9Å; V66-P68 WeakPolarHBondContact O-CD 3.27Å
67E37.8Very low42Very low145 Ų145128.9 Ų128.968%0.67875%0.748SS**  trans-74.1126.9176.9-166.8-151.4-120.700110.7S69E67-S69 VanDerWaalsContact C-N 3.33Å; E67-S69 PolarHBondContact O-N 3.31Å; E67-S69 VanDerWaalsContact OE2-CB 3.22Å; E67-S69 WeakPolarHBondContact OE2-CB 3.35Å; E67-S69 PolarHBondContact OE2-OG 3.42Å
68P37.4Very low41.5Very low125 Ų125130.6 Ų130.681%0.81275%0.754SS**  trans-81.775172.934-34.8000111.4V66V66-P68 WeakPolarHBondContact O-CD 3.27Å
69S32.5Very low41.8Very low89 Ų89131.7 Ų131.762%0.62277%0.768SS**  trans-69.9146.6175.5-114.20000112.8E67E67-S69 VanDerWaalsContact C-N 3.33Å; E67-S69 PolarHBondContact O-N 3.31Å; E67-S69 VanDerWaalsContact OE2-CB 3.22Å; E67-S69 WeakPolarHBondContact OE2-CB 3.35Å; E67-S69 PolarHBondContact OE2-OG 3.42Å
70P48.3Very low42.2Very low111 Ų111129.7 Ų129.772%0.72176%0.759SS**  trans-105.7151-161.838.5-34.8000115.5
71T33.3Very low42.2Very low138 Ų138128.8 Ų128.885%0.84776%0.757SS**  trans-169.8108.3143-77.80000111.7
72S35.7Very low42.4Very low113 Ų113129.8 Ų129.879%0.7976%0.764SS**  trans-173.8144.1145.5-84.50000109.5
73P45.5Very low42.2Very low130 Ų130134.6 Ų134.684%0.84477%0.77SS**PPolyproline II helixtrans-82.3122.8-16730.8-34.5000113.5
74A42.7Very low42.4Very low90 Ų90134.5 Ų134.574%0.74477%0.769SS**PPolyproline II helixtrans-73.6148.2156.300000109.9
75P45.2Very low42.2Very low116 Ų116134.3 Ų134.375%0.75377%0.771SS**PPolyproline II helixtrans-68136.3-175.726.9-34.5000112.5I77P75-I77 PolarHBondContact O-N 3.25Å; P75-I77 VanDerWaalsContact O-N 3.11Å
76L43.3Very low42.1Very low155 Ų155130.9 Ų130.981%0.81277%0.767SS**  trans-66.8104.1172.5177.164.3000110Q78L76-Q78 PolarHBondContact O-N 2.87Å
77I41Very low41.9Very low148 Ų148134.7 Ų134.776%0.75978%0.778SS**  trans-75.7104.9172-60.1178.1000108.4P75 A79P75-I77 PolarHBondContact O-N 3.25Å; P75-I77 VanDerWaalsContact O-N 3.11Å; I77-A79 PolarHBondContact O-N 3.49Å; I77-A79 VanDerWaalsContact O-N 3.14Å
78Q38.9Very low41.6Very low136 Ų136136.2 Ų136.264%0.63679%0.785SS**  trans-66.4105.7171.8-73.8-178.9-9900110.3L76 E80L76-Q78 PolarHBondContact O-N 2.87Å; Q78-E80 HydrophobicContact CB-CG 4.18Å; Q78-E80 WeakPolarHBondContact CB-OE1 3.33Å; Q78-E80 PolarHBondContact NE2-OE1 3Å; Q78-E80 PolarHBondContact O-N 3.25Å
79A51.4Low42Very low105 Ų105135.4 Ų135.487%0.86878%0.78SS**  trans-8239.2-177.200000113.4I77I77-A79 PolarHBondContact O-N 3.49Å; I77-A79 VanDerWaalsContact O-N 3.14Å
80E50.1Low42.4Very low129 Ų129143.3 Ų143.360%0.60380%0.796SS**  trans-10949.8-172.362.3-161.1106.100113.4Q78Q78-E80 HydrophobicContact CB-CG 4.18Å; Q78-E80 WeakPolarHBondContact CB-OE1 3.33Å; Q78-E80 PolarHBondContact NE2-OE1 3Å; Q78-E80 PolarHBondContact O-N 3.25Å
81H43.5Very low41.7Very low165 Ų165142.3 Ų142.376%0.76480%0.797SS**  trans-119.183165.8-74.1-1.5000110Y83H81-Y83 PolarHBondContact O-N 3.26Å; H81-Y83 VanDerWaalsContact O-N 3.13Å
82S47.3Very low41.7Very low120 Ų120144.7 Ų144.784%0.83980%0.798SS**  trans-63.1107.9176.6-53.80000111.2S84S82-S84 PolarHBondContact O-N 2.92Å
83Y44Very low41.7Very low223 Ų223144.9 Ų144.988%0.87580%0.8SS**  trans-77.9113162.7-82.6-91.3000109.1H81 L85H81-Y83 PolarHBondContact O-N 3.26Å; H81-Y83 VanDerWaalsContact O-N 3.13Å; Y83-L85 PolarHBondContact O-N 2.87Å
84S47.7Very low41.4Very low113 Ų113144.3 Ų144.379%0.7980%0.796SS**  trans-63115170.3-60.50000109.9S82 C86S82-S84 PolarHBondContact O-N 2.92Å; S84-C86 PolarHBondContact O-N 3.34Å
85L37.1Very low40.9Very low169 Ų169149 Ų14989%0.88580%0.8SS**  trans-70.1108.1166.9-75.1168.3000109Y83Y83-L85 PolarHBondContact O-N 2.87Å
86C37.1Very low40.4Very low120 Ų120148.6 Ų148.681%0.81180%0.795SS**  trans-86.2103.3155.9-68.20000107.6S84S84-C86 PolarHBondContact O-N 3.34Å
87E40.7Very low40Very low188 Ų188150.4 Ų150.488%0.87980%0.799SS**  trans-66.3130.4160.5-70.2-179.897.600109
88E31.6Very low39.6Very low178 Ų178148.6 Ų148.683%0.83280%0.795SS**  trans-136.5125.2165.2-16671.5-99.800106.8
89P44.5Very low39.4Very low108 Ų108149 Ų14970%0.70181%0.807SS**  trans-94.6175.2-157.136.5-36.8000115.1A91P89-A91 PolarHBondContact O-N 2.97Å
90R41.3Very low38.5Very low255 Ų255149.8 Ų149.896%0.96280%0.801SS**  trans-57124.6170.2-92.9178.5153.690.9-6.4112.7
91A33.3Very low37.7Very low89 Ų89149.1 Ų149.174%0.73681%0.811SS**  trans-139.5116.1146.900000107.2P89P89-A91 PolarHBondContact O-N 2.97Å
92Q34.7Very low37.1Very low189 Ų189148 Ų14888%0.88381%0.81SS**  56.5120.589.3-72.5-164-7.400114.6
93S34.9Very low36.5Very low117 Ų117146.7 Ų146.782%0.81880%0.801SS**  trans-79.2143.5172.1171.80000111.2
94P39.2Very low36.1Very low117 Ų117145.4 Ų145.476%0.7680%0.8SS**  trans-122.8165149.537.2-27.8000113.8
95F31.7Very low35.5Very low189 Ų189146.3 Ų146.383%0.82980%0.796SS**  trans-74.2163.8-176.5-109.7-121.6000114.6
96T35.5Very low35.4Very low108 Ų108145 Ų14566%0.66379%0.79SS**  trans11.2133.3151.458.20000119.8
97H35.2Very low35.4Very low192 Ų192145.7 Ų145.789%0.88979%0.786SS**  trans-133.3143.5143.8-121-90.5000111.8
98V31.6Very low35.1Very low111 Ų111145 Ų14567%0.67378%0.782SS**  trans-94.2141.1-175.4168.30000111.1T100V98-T100 HydrophobicContact CG1-CG2 3.92Å
99T35.3Very low35.7Very low144 Ų144143.3 Ų143.388%0.88378%0.784SS**  trans-134.7125.1154.951.20000109
100T32Very low35.2Very low122 Ų122147 Ų14775%0.74879%0.792SS**  trans-102.4174.6-179.441.30000112V98V98-T100 HydrophobicContact CG1-CG2 3.92Å
101S32.8Very low34.6Very low115 Ų115139.6 Ų139.680%0.80478%0.779SS**  trans75.5142.7176.389.90000116
102D32.7Very low34.5Very low142 Ų142143.9 Ų143.976%0.75978%0.784SS**  cis-152.1158.7-10.1-144-46.5000111.6
103S34.4Very low34.3Very low91 Ų91142.1 Ų142.164%0.63677%0.773SS**  trans31.6121155.6-65.50000120.8
104F34.1Very low33.8Very low196 Ų196145.1 Ų145.186%0.8677%0.767SS**  -164.2150.2102.9-117.3-90.5000112.5
105N36.2Very low33.4Very low133 Ų133147.9 Ų147.971%0.71176%0.763SS**  trans-41.9163.8174.7-59.9-77.1000116.8
106D34.1Very low33.6Very low140 Ų140145.8 Ų145.875%0.74976%0.76SS**  cis-172.7-161.2-18.5-171.3-168.1000106.6
107D37.1Very low33.2Very low136 Ų136146.7 Ų146.773%0.72777%0.771SS**  trans70.1103.4178.5-60-63.2000114.3
108E35.7Very low33.1Very low172 Ų172142.9 Ų142.980%0.80476%0.761SS**  77.398.874.8-170.2175.8-125.900114.5
109V43.5Very low33Very low144 Ų144145.4 Ų145.487%0.87377%0.771SS**  -163.8149.9117.6-92.80000110.3
110E33.1Very low33.2Very low185 Ų185147.2 Ų147.286%0.86477%0.767SS**  trans-85.9173.3-177.2-60.2-176.8103.500114.3
111S29.8Very low33.3Very low99 Ų99147.5 Ų147.569%0.69277%0.771SS**  trans70150.4155.3-104.50000119.1
112E30.4Very low33.1Very low179 Ų179146.8 Ų146.884%0.83677%0.766SS**  cis-142.8157.8-3.1-147.9146.1133.900109.8
113K30.4Very low32.8Very low152 Ų152146.4 Ų146.466%0.66177%0.769SS**  trans-140.1124.8-175-159.2-178.9-176.9-179.30111.2
114W25.8Very low32.6Very low180 Ų180148.1 Ų148.168%0.68278%0.776SS**  trans131.5136.9142.9-68.4123.4000117.8
115Y29.4Very low32.4Very low175 Ų175146 Ų14669%0.68677%0.772SS**  trans53.2117.9145.3-71.1-60.5000124
116L36.4Very low32.2Very low145 Ų145149.4 Ų149.476%0.75978%0.78SS**  14.6128.1124.3-72.8168.6000118.6
117S26.4Very low32.1Very low127 Ų127147.8 Ų147.889%0.88878%0.776SS**  trans-141.5129.9140.1-79.50000110.2
118T32.8Very low31.9Very low113 Ų113149.5 Ų149.569%0.69378%0.779SS**  trans-101.8132166-570000107.2
119D31.4Very low32.2Very low163 Ų163147.1 Ų147.187%0.87278%0.779SS**  trans-164.5153.8155.6-104.1-33.2000112.6
120F38Very low31.7Very low183 Ų183147.8 Ų147.880%0.80378%0.776SS**  trans-105.2159.6175.5-75.3-92.2000111.2
121P35.5Very low31.5Very low127 Ų127145.5 Ų145.583%0.82577%0.774SS**  trans-129.5164.9138.337-27.9000113.6
122S27.9Very low31.5Very low101 Ų101147.5 Ų147.571%0.70678%0.778SS**  trans-122.2-175.3-168.6-58.10000113.2
123T26.8Very low31.8Very low133 Ų133147.7 Ų147.782%0.81678%0.778SS**  trans79.2162.5169.287.30000115
124T29.5Very low32.5Very low128 Ų128145.1 Ų145.179%0.78578%0.777SS**  cis-141.9156.613.9-84.20000111.7
125I31Very low33.9Very low152 Ų152141.9 Ų141.978%0.77978%0.779SS**  trans-81.7152.1179-64.9162.4000112.4
126K31.4Very low34.8Very low203 Ų203139.3 Ų139.388%0.88378%0.784SS**  trans-148.7126.9156.7-163173.6-176.7-177.70114
127T31.3Very low34.5Very low107 Ų107135.8 Ų135.866%0.65678%0.783SS**  trans-105157.2168.646.50000109.2
128E33.8Very low34.7Very low172 Ų172138.1 Ų138.180%0.80479%0.785SS**  170.5-174.772.1-75.8-168.7170.700106.8
129P41Very low34.8Very low121 Ų121138.7 Ų138.779%0.78679%0.788SS**  cis-128.3-162.4-9.324.91.1000114.2
130I33.9Very low35.3Very low158 Ų158137 Ų13781%0.8179%0.785SS**  trans-112.6156.8-173.1-79.7167.8000113
131T29Very low35Very low137 Ų137133.4 Ų133.484%0.8478%0.783SS**  trans-162159.6146.4-71.60000111.4
132D29.8Very low35Very low142 Ų142133.6 Ų133.676%0.75978%0.781SS**  trans-80.1169.4-155.7-67.2-78.5000124.2
133E35.5Very low35.2Very low182 Ų182134.3 Ų134.385%0.8578%0.782SS**  trans81.4153.9147.8-79-129.986.300124.1
134P46.7Very low35.5Very low99 Ų99135.8 Ų135.864%0.64378%0.784SS**  trans-132.6-141.2-15348-29.9000112.8
135P54.6Low35.6Very low111 Ų111135.1 Ų135.172%0.72178%0.78SS**  cis-118.8-140.3-36.540.9-24.1000109.3
136P47.9Very low35.9Very low122 Ų122136.3 Ų136.379%0.79279%0.786SS**  -102.3-178.3-51.437.4-23000110.7
137G30Very low35.8Very low71 Ų71131.7 Ų131.773%0.73278%0.775SS**  cis108103.613.600000111.9
138L31.6Very low35.9Very low176 Ų176131.2 Ų131.292%0.92178%0.782SS**  trans-160.7143.3170.1-113.1175.4000112.2
139V35.1Very low35.8Very low125 Ų125130.5 Ų130.576%0.75878%0.782SS**  trans-122145.9173-68.20000110.5
140P42Very low35.3Very low126 Ų126130.3 Ų130.382%0.81878%0.784SS**  trans-91.3109.5171.633-29.2000111.2
141S31.6Very low35.4Very low108 Ų108129.1 Ų129.176%0.75578%0.784SS**  trans-85.8136.1161.4-175.10000109.6
142V35.1Very low36.1Very low131 Ų131128.3 Ų128.379%0.79478%0.781SS**  trans-91.8112.4-180-178.70000109.8
143T31.5Very low36Very low116 Ų116131.5 Ų131.571%0.71278%0.784SS**  trans-117131.9169.8-61.60000108.8
144L32.5Very low35.7Very low165 Ų165129.2 Ų129.286%0.86477%0.773SS**  trans-83.7127.8179.3-64.7171.7000110.5
145T32.9Very low34.8Very low114 Ų114131.3 Ų131.370%0.69977%0.772SS**  trans-129.8120.6173.3-47.40000109.3
146I35.9Very low33.5Very low176 Ų176134 Ų13490%0.90378%0.775SS**  trans-86120.5173.7-60.5172.5000107.8
147T29.9Very low32.9Very low107 Ų107136.6 Ų136.666%0.65678%0.776SS**  trans-120.7116179.7-54.50000109.9
148A33.2Very low33.5Very low97 Ų97137.7 Ų137.780%0.80277%0.771SS**  trans-74.4144.7168.400000110.2
149I32.2Very low34.1Very low156 Ų156134.3 Ų134.380%0.876%0.759SS**  trans-116.6120-175.4-50.1176.2000109.6
150S29.9Very low33.9Very low118 Ų118135 Ų13583%0.82576%0.758SS**  trans-134151.3167.1-70.20000109.4
151T37.3Very low33.3Very low133 Ų133136.6 Ų136.682%0.81675%0.754SS**  trans-92.9163.6-167.452.20000114.2
152P42.1Very low33.2Very low119 Ų119137.6 Ų137.677%0.77375%0.749SS**  -128.9173.5114.637.1-29000110.8
153Y28.2Very low33Very low210 Ų210137.3 Ų137.382%0.82474%0.743SS**  cis-138.3-1789.1-148-157.1000107.2
154E29.3Very low32.9Very low134 Ų134138.3 Ų138.363%0.62675%0.749SS**  cis-142.2-15610.1-156.2173.3102.700105.1
155K28.5Very low32.8Very low143 Ų143133.9 Ų133.962%0.62274%0.743SS**  cis-161.1159.90.2-168.6174.3-178.1-113.10111
156E27.3Very low32.9Very low167 Ų167134.7 Ų134.778%0.7875%0.748SS**  trans71.9164.6161.7-101.6162.3140.200118.9
157E34.1Very low32.6Very low176 Ų176133.1 Ų133.182%0.82274%0.741SS**  trans-143.1-178.1-145.4-114.7-157.8102.100109.7
158P42.6Very low32.8Very low95 Ų95133.7 Ų133.762%0.61775%0.75SS**  -125.9-139.1-54.738.4-18.8000107.7
159P44.3Very low32.6Very low105 Ų105134.9 Ų134.968%0.68275%0.752SS**  cis-108.2-175.7-43.425-2000110.3
160L30.8Very low32.7Very low139 Ų139133 Ų13373%0.72875%0.752SS**  -169155.654.6-77.6162.7000110.8
161E29Very low32.9Very low159 Ų159135.5 Ų135.574%0.74375%0.75SS**  trans48.1140.4142.2-68.2-178.5-169.200121.3
162M30.8Very low32.9Very low130 Ų130135.6 Ų135.664%0.6475%0.751SS**  cis-166.3167.5-2.1-148-170.6-58.500109.2
163N31.4Very low32.5Very low124 Ų124136.1 Ų136.166%0.66375%0.746SS**  trans65.2114.2158-59.8-30000118.5
164T28.8Very low33.3Very low137 Ų137133.3 Ų133.384%0.8474%0.743SS**  70.3126.370.666.60000116.9
165G29.4Very low33.7Very low72 Ų72132.4 Ų132.474%0.74275%0.749SS**  trans124.610617500000111
166V34.9Very low33.8Very low131 Ų131134.7 Ų134.779%0.79476%0.759SS**  83.4104.452-178.70000113.5
167D30.5Very low34.6Very low144 Ų144133.8 Ų133.877%0.7776%0.758SS**  trans59.2132147.2-61-5.9000124.8
168S33.6Very low34.5Very low119 Ų119134.9 Ų134.983%0.83276%0.76SS**  trans90.3145.3130.4-78.20000123.4
169S30.5Very low34.5Very low121 Ų121137.2 Ų137.285%0.84677%0.767SS**  trans92.8141.7153.3-150.60000119.3
170C34.6Very low34.2Very low118 Ų118140.5 Ų140.580%0.79777%0.773SS**  trans-87.5143.1-176.6-53.40000111.4
171Q33.7Very low34.7Very low169 Ų169138.9 Ų138.979%0.7977%0.77SS**  trans-135129.2160.8-68.2-165.718.800111.7
172T35.9Very low35.4Very low136 Ų136139 Ų13983%0.83477%0.77SS**  trans-91.4102.6175.8-51.50000109.3
173I34.5Very low36Very low130 Ų130141.7 Ų141.767%0.66778%0.782SS**  trans-130.6123.3174.9-58.1-178.2000110.1
174I44.2Very low36.7Very low151 Ų151140.6 Ų140.677%0.77478%0.779SS**  trans-98.9132.9177.5-61.1167.1000109.5
175P38.2Very low37.6Very low114 Ų114141.1 Ų141.174%0.7478%0.777SS**  trans-118.5100.4157.124.6-6.8000112.4
176K30.1Very low38.2Very low192 Ų192146 Ų14684%0.83578%0.78SS**  trans38.898.2138.6-62.6178.1179.5177.50118.6
177I44.8Very low38.4Very low147 Ų147148.9 Ų148.975%0.75478%0.782SS**  -3.1128.4126.6-57.7165.8000114.5L179I177-L179 HydrophobicContact CG2-CD1 4Å; I177-L179 HydrophobicContact CG2-CG 3.69Å
178K33Very low38.9Very low199 Ų199149.5 Ų149.587%0.86579%0.785SS**  trans-118.6120.6146.3-173.3171.9-179.6-178.40109
179L42.7Very low39.3Very low145 Ų145150.7 Ų150.776%0.75978%0.782SS**  trans-91.7137.3173.6-73.8150.9000109.5I177I177-L179 HydrophobicContact CG2-CD1 4Å; I177-L179 HydrophobicContact CG2-CG 3.69Å
180E36.7Very low39.4Very low173 Ų173154.1 Ų154.181%0.80878%0.782SS**  trans-170.8156.8139-118.8-169.4120.800110
181P42Very low39.5Very low105 Ų105153.6 Ų153.668%0.68278%0.78SS**  -116.5176-78.638.7-32.6000114.5
182H43.4Very low39.5Very low161 Ų161151.3 Ų151.375%0.74578%0.78SS**  trans-95.598.5-176.1179.665.4000110.2V184H182-V184 WeakPolarHBondContact CE1-CG2 3.36Å; H182-V184 WeakPolarHBondContact NE2-CG2 3.47Å; H182-V184 PolarHBondContact O-N 2.85Å
183E43.5Very low39.5Very low187 Ų187152.5 Ų152.587%0.87477%0.773SS**  trans-92.979.5170.9-70.8-167.9166.100111
184V45.3Very low39.4Very low101 Ų101153.4 Ų153.461%0.61278%0.775SS**  trans-124.547.5168.4-56.50000112.2H182H182-V184 WeakPolarHBondContact CE1-CG2 3.36Å; H182-V184 WeakPolarHBondContact NE2-CG2 3.47Å; H182-V184 PolarHBondContact O-N 2.85Å
185D48Very low39Very low148 Ų148151 Ų15179%0.79178%0.777SS**SBendtrans-143.532.8-178.8-126.1-18.5000114.7
186Q43Very low38.9Very low174 Ų174151.3 Ų151.381%0.81378%0.779SS**SBendtrans-140.421.8178.7-148.9172.481.600117.3
187F38.2Very low39.4Very low192 Ų192147.7 Ų147.784%0.84277%0.773SS**SBendtrans-128.84.6167.8-68-69.6000115.5N189F187-N189 PolarHBondContact O-N 3.12Å
188L40.7Very low39.1Very low158 Ų158148.8 Ų148.883%0.82778%0.781SS**  trans-78.855.8166.8-72.8174.7000111.6
189N42.8Very low39.6Very low143 Ų143146.4 Ų146.477%0.76577%0.772SS**  trans-157.863.5175.4-117.3-45.4000115F187F187-N189 PolarHBondContact O-N 3.12Å
190F32.3Very low39.7Very low193 Ų193147.7 Ų147.785%0.84678%0.779SS**  trans-136.696.9154.2-78.2-66.7000110.7P192F190-P192 WeakPolarHBondContact O-CD 3.43Å
191S35.8Very low39.9Very low108 Ų108147.4 Ų147.476%0.75578%0.777SS**  trans-106102.9163.3178.70000109.5K193S191-K193 PolarHBondContact O-N 2.9Å
192P34.8Very low40.8Very low121 Ų121149.2 Ų149.279%0.78678%0.78SS**  trans-77.699.5154.3-13.730.9000108.3F190F190-P192 WeakPolarHBondContact O-CD 3.43Å
193K35.5Very low40.9Very low160 Ų160146.2 Ų146.270%0.69678%0.775SS**  trans-63.3150.6165.8-161.3-156.4172.9-153.50108.9S191S191-K193 PolarHBondContact O-N 2.9Å
194E32.3Very low41.2Very low150 Ų150142.3 Ų142.370%0.70177%0.766SS**  trans73.6100.2167.7-46.7-174.2-169.500116
195A36.3Very low41.2Very low100 Ų100143.6 Ų143.683%0.82677%0.774SS**PPolyproline II helixtrans-89.9123.4164.300000110.1
196P36.6Very low41.5Very low121 Ų121142.1 Ų142.179%0.78677%0.773SS**PPolyproline II helixtrans-78.8140.2163.232.1-31.3000110D198P196-D198 PolarHBondContact O-N 2.94Å
197V40.7Very low41.7Very low116 Ų116139.8 Ų139.870%0.70377%0.773SS**PPolyproline II helixtrans-72116.6173.3-82.10000110.4H199V197-H199 PolarHBondContact O-CD2 3.39Å; V197-H199 PolarHBondContact O-N 2.82Å
198D37.5Very low41.5Very low170 Ų170136.4 Ų136.491%0.90977%0.773SS**  trans-78.983.4-177.3-135.1-9.6000110.5P196P196-D198 PolarHBondContact O-N 2.94Å
199H42.8Very low41.5Very low149 Ų149134.3 Ų134.369%0.6977%0.771SS**  trans-64.3149179.4-82-96.9000112V197 H201V197-H199 PolarHBondContact O-CD2 3.39Å; V197-H199 PolarHBondContact O-N 2.82Å; H199-H201 PolarHBondContact O-N 3.16Å
200L46.4Very low41.2Very low172 Ų172135.9 Ų135.990%0.90177%0.774SS**  trans-53.591.1-176.1-64.9169.1000113.7L202L200-L202 PolarHBondContact O-N 3.09Å
201H40.6Very low41.5Very low167 Ų167130.3 Ų130.377%0.77377%0.771SS**  trans-80.385.5-177.8-160.2-112.1000112.4H199H199-H201 PolarHBondContact O-N 3.16Å
202L59.7Low41.7Very low142 Ų142129.4 Ų129.474%0.74377%0.765SS**PPolyproline II helixtrans-59.6149.8163.2-68.5173.5000110.4L200L200-L202 PolarHBondContact O-N 3.09Å
203P46.9Very low42Very low99 Ų99131.7 Ų131.764%0.64377%0.77SS**PPolyproline II helixtrans-64.3129.7-18026.9-34.2000110.8T205P203-T205 PolarHBondContact O-N 3.31Å
204P49.7Very low42.1Very low105 Ų105129.1 Ų129.168%0.68277%0.773SS**PPolyproline II helixtrans-67.6124.1-176.525.9-34.2000111.4
205T45.9Very low42.6Very low127 Ų127131.1 Ų131.178%0.77978%0.782SS**PPolyproline II helixtrans-69.6135.4164.445.70000109.8P203P203-T205 PolarHBondContact O-N 3.31Å
206P54.2Low42.5Very low117 Ų117129.7 Ų129.776%0.7678%0.777SS**PPolyproline II helixtrans-65.4142.6179.727.9-34.7000111.2
207P45.9Very low42.4Very low126 Ų126128.9 Ų128.982%0.81877%0.774SS**PPolyproline II helixtrans-67.7139.7179.928.1-34.6000111.3S209P207-S209 PolarHBondContact O-N 3.33Å
208S35Very low42.2Very low120 Ų120131.5 Ų131.584%0.83978%0.783SS**PPolyproline II helixtrans-71.8125.3172.6-170.30000110H210S208-H210 PolarHBondContact O-N 3.49Å; S208-H210 VanDerWaalsContact O-N 3.12Å
209S39.8Very low42Very low114 Ų114128.8 Ų128.880%0.79778%0.778SS**  trans-74.6100.1177.555.70000110.7P207 G211P207-S209 PolarHBondContact O-N 3.33Å; S209-G211 PolarHBondContact O-N 2.68Å
210H37.8Very low42.4Very low176 Ų176127.3 Ų127.382%0.81578%0.781SS**  trans-73.293.8172.5-169.620.3000109.9S208S208-H210 PolarHBondContact O-N 3.49Å; S208-H210 VanDerWaalsContact O-N 3.12Å
211G38.5Very low41.7Very low77 Ų77127 Ų12779%0.79478%0.78SS**  trans-104.2112.916500000108.7S209S209-G211 PolarHBondContact O-N 2.68Å
212S39.3Very low41.9Very low88 Ų88123.8 Ų123.862%0.61578%0.775SS**  trans-136.987.7-176.9-178.50000110.4
213D40.3Very low40.6Very low170 Ų170128.2 Ų128.291%0.90978%0.782SS**  trans-110137.2156.5-88.1-53.3000108.3
214S38.4Very low40Very low106 Ų106130.6 Ų130.674%0.74179%0.788SS**  trans-80.1174.8177-68.80000111.9
215E41.6Very low39.3Very low191 Ų191133.8 Ų133.889%0.89379%0.793SS**  trans134.1143.2153.3-73-69.38500111.9
216G34.9Very low39.5Very low70 Ų70132.1 Ų132.172%0.72279%0.785SS**  trans88.366.7154.500000119.3
217S35.2Very low38.6Very low105 Ų105135.3 Ų135.373%0.73479%0.787SS**  trans-4.9134.7145.2590000121.1
218L36Very low37.8Very low171 Ų171134.5 Ų134.590%0.89578%0.784SS**  trans74148.8145.7-61.9172.6000121.3
219S33Very low37.7Very low113 Ų113136.6 Ų136.679%0.7979%0.785SS**  trans-151165.3170.1-760000108.4
220P50.8Low38.2Very low118 Ų118136.3 Ų136.377%0.76678%0.78SS**  cis-129.9169-38.938.2-25.2000111.6
221N32.3Very low38Very low164 Ų164136.2 Ų136.288%0.87778%0.78SS**  trans-157.6149.4156.7-115.5-34.3000112.4
222P44.4Very low37.6Very low101 Ų101137.4 Ų137.466%0.65677%0.772SS**  trans-103.8155-172.438.4-32.6000114
223R32.6Very low37.3Very low235 Ų235141.8 Ų141.889%0.88778%0.783SS**  trans-178.5135.2141.6-99.6149.8-170.4-1642.8114
224L34Very low36.9Very low148 Ų148138.8 Ų138.878%0.77578%0.775SS**  trans61.6114.3142.2-55.1170.1000122
225H34.6Very low37.2Very low173 Ų173139.2 Ų139.280%0.80178%0.776SS**  10.3160.9129.2-60.9-77.6000122.1
226P51.9Low36.8Very low91 Ų91135.5 Ų135.559%0.59177%0.77SS**  cis-143.7-160.2-37.240.8-20.9000113.2
227F34.6Very low36.7Very low185 Ų185143.4 Ų143.481%0.81178%0.779SS**  trans112.5123.6155.8-68.9-65.7000121.3
228S29.4Very low36.6Very low108 Ų108143.5 Ų143.576%0.75579%0.785SS**  trans82.3143.7135.2-620000124.1
229L31.7Very low36.6Very low164 Ų164140 Ų14086%0.85978%0.781SS**  trans-107.9-169.3-178.8-86.185000109.7
230P51.6Low37.1Very low108 Ų108140.6 Ų140.670%0.70178%0.782SS**  cis-136.8178.1-48.438.1-22.7000113.5
231Q33Very low36.4Very low175 Ų175146.7 Ų146.782%0.81879%0.79SS**  trans179.4126.2137.2-101.1171.93.400110.7
232T29Very low36.7Very low101 Ų101143 Ų14362%0.6278%0.782SS**  60.114397.4690000115.4
233H34.2Very low36.6Very low180 Ų180144.5 Ų144.583%0.83379%0.792SS**  cis-139.9177.119.1-65.9-99.7000113.5
234S31Very low36.8Very low108 Ų108138.6 Ų138.676%0.75579%0.787SS**  trans-103.1174.6167.466.20000111.3
235P46.5Very low37Very low115 Ų115135.9 Ų135.975%0.74779%0.786SS**  -157.2175.781.142.2-22.4000118
236S32.8Very low37.1Very low112 Ų112135.9 Ų135.978%0.78379%0.79SS**  trans64138.7149.9-161.50000120.4
237R32.9Very low36.6Very low237 Ų237136.7 Ų136.789%0.89480%0.798SS**  cis151.8117.9-19.7170.2-173.6-177.4-171.22.4106.5
238A32.1Very low36.7Very low106 Ų106133 Ų13388%0.87680%0.796SS**  trans-147.3162.6163.600000110.1
239A36.8Very low36.9Very low97 Ų97133.3 Ų133.380%0.80280%0.798SS**  trans-112.6161.2-16500000113.5
240P43Very low37.4Very low126 Ų126131.1 Ų131.182%0.81879%0.794SS**  trans-89.1166-164.235.8-37.2000114.9
241R36.3Very low37.2Very low246 Ų246134.1 Ų134.193%0.92880%0.803SS**  trans-134146.1158.1-66.4-171.4179.5108.5-1.9109.3
242A38.9Very low37.8Very low86 Ų86134.2 Ų134.271%0.71181%0.808SS**  trans-85168.6177.500000112
243P41.7Very low38.8Very low133 Ų133135.9 Ų135.986%0.86482%0.818SS**  -125.7166.311637.2-33.6000113
244S36.3Very low38.7Very low111 Ų111131.5 Ų131.578%0.77681%0.813SS**  trans-107.2148.3-175.7-61.10000113
245A39.7Very low39.3Very low91 Ų91132.6 Ų132.675%0.75282%0.818SS**  trans54.2108.4152.100000120.3
246L36.3Very low39Very low173 Ų173134.9 Ų134.991%0.90682%0.818SS**  -152.8112.9117-72.2-168.5000106
247S40.4Very low39.3Very low108 Ų108137.6 Ų137.676%0.75582%0.816SS**  88.7128.574.1-164.20000114
248S36.7Very low39.8Very low108 Ų108134.9 Ų134.976%0.75582%0.818SS**  trans74.2131.8176.774.20000120.3
249S34.5Very low40.5Very low114 Ų114138.7 Ų138.780%0.79782%0.818SS**  trans68.863.7149.7-55.50000123
250P42.5Very low40.2Very low119 Ų119136.9 Ų136.977%0.77381%0.809SS**  trans-91.9123.2158.234.2-27.8000112.3
251L46.5Very low40.3Very low171 Ų171136.5 Ų136.590%0.89581%0.809SS**  trans-166.7-4.5157-116171000118.7
252L46.4Very low40.8Very low176 Ų176126.2 Ų126.292%0.92178%0.779SS**SBendtrans-116.3-0.7-173.6-76.3-179.5000118
253T50.1Low41.1Very low137 Ų137127.3 Ų127.384%0.8478%0.779SS**  trans-137.9100.8173.1-520000112.2
254A31.5Very low41.5Very low88 Ų88123.5 Ų123.573%0.72775%0.751SS**  trans-145.399.1164.300000109.4H256A254-H256 PolarHBondContact O-N 3.17Å
255P43.9Very low42.2Very low131 Ų131124.5 Ų124.585%0.85175%0.752SS**  trans-79.753.7-177.433.9-36.4000111.7
256H40.6Very low42.9Very low163 Ų163121.2 Ų121.276%0.75572%0.722SS**  trans-98.5102.2-170.9-144.6-96.9000113.4A254A254-H256 PolarHBondContact O-N 3.17Å
257K37.5Very low44.2Very low168 Ų168117 Ų11773%0.7370%0.704SS**  trans40.5108.7151.8-57-64.9-176.3175.30117.5Q259K257-Q259 PolarHBondContact O-N 3.26Å
258L43.9Very low45.1Very low180 Ų180115.9 Ų115.994%0.94269%0.687SS**SBendtrans-65.473.6165.8-69.1170.5000112.3
259Q46.3Very low46Very low187 Ų187117.4 Ų117.487%0.87468%0.682SS**  trans-150.860.7173.4-154.11679.300111.8K257K257-Q259 PolarHBondContact O-N 3.26Å
260G32.3Very low47.5Very low59 Ų59113 Ų11361%0.60865%0.649SS**  trans-161124.6174.700000111.5G262G260-G262 PolarHBondContact O-N 2.91Å
261S45Very low48.6Very low117 Ų117111 Ų11182%0.81863%0.628SS**  trans-79.796.8169.7-174.20000108.6
262G46.2Very low49.5Very low30 Ų30110.4 Ų110.431%0.30961%0.613SS.*  trans-132.2155.9176.600000111.1G260 L264 L285G260-G262 PolarHBondContact O-N 2.91Å; G262-L264 PolarHBondContact O-N 2.71Å; G262-L285 WeakPolarHBondContact O-CD1 3.46Å; G262-L285 WeakPolarHBondContact O-CG 3.38Å
263P44.3Very low50.3Low110 Ų110104 Ų10471%0.71458%0.581SS**  trans-60.9133.6173.3-21.433.5000111.1V265P263-V265 PolarHBondContact O-N 3.21Å; P263-V265 VanDerWaalsContact O-N 3.09Å
264L50.4Low51.1Low53 Ų5397.6 Ų97.628%0.27754%0.542SS..  trans-72.6103172.7-174.576000108.9G262 L266 L287 L295G262-L264 PolarHBondContact O-N 2.71Å; L264-L266 VanDerWaalsContact C-N 3.29Å; L264-L266 HydrophobicContact CD2-CD1 4.06Å; L264-L266 HydrophobicContact CD2-CD2 3.82Å; L264-L266 HydrophobicContact CD2-CG 3.81Å; L264-L266 HydrophobicContact CG-CD2 4.27Å; L264-L266 HydrophobicContact CG-CG 4.09Å; L264-L266 PolarHBondContact O-N 3.02Å; L264-L287 HydrophobicContact CD1-CD1 4.21Å; L264-L287 HydrophobicContact CD2-CD1 3.97Å; L264-L287 HydrophobicContact CD2-CD2 4.13Å; L264-L287 HydrophobicContact CD2-CG 4.45Å; L264-L295 HydrophobicContact CD2-CD2 4.18Å
265V51Low52.8Low132 Ų13298 Ų9880%0.853%0.531SS*.  trans-73.986.1176.3-174.30000109.4P263P263-V265 PolarHBondContact O-N 3.21Å; P263-V265 VanDerWaalsContact O-N 3.09Å
266L55.8Low54.1Low21 Ų2196 Ų9611%0.1153%0.525CS..  trans-77.2139.4163.7-64.7168.3000108.8L264 E270 L274 L295L264-L266 VanDerWaalsContact C-N 3.29Å; L264-L266 HydrophobicContact CD2-CD1 4.06Å; L264-L266 HydrophobicContact CD2-CD2 3.82Å; L264-L266 HydrophobicContact CD2-CG 3.81Å; L264-L266 HydrophobicContact CG-CD2 4.27Å; L264-L266 HydrophobicContact CG-CG 4.09Å; L264-L266 PolarHBondContact O-N 3.02Å; L266-E270 WeakPolarHBondContact CA-OE2 3.4Å; L266-E270 HydrophobicContact CB-CB 4.18Å; L266-E270 HydrophobicContact CD2-CB 4.34Å; L266-E270 WeakPolarHBondContact CD2-OE2 3.31Å; L266-L274 HydrophobicContact CD1-CD1 3.47Å; L266-L274 VanDerWaalsContact CD1-CD1 3.47Å; L266-L295 HydrophobicContact CD2-CD1 3.59Å; L266-L295 HydrophobicContact CD2-CD2 3.9Å; L266-L295 HydrophobicContact CD2-CG 4.42Å
267T62.4Low55.1Low85 Ų8591.3 Ų91.352%0.52150%0.504SS..  trans-69.3157.4173.562.30000110.7E269 E270 K271T267-E269 PolarHBondContact O-N 3.3Å; T267-E269 VanDerWaalsContact O-N 3.14Å; T267-E270 PolarHBondContact N-OE2 3.23Å; T267-E270 VanDerWaalsContact N-OE2 3.09Å; T267-E270 WeakPolarHBondContact O-CB 3.32Å; T267-E270 PolarHBondContact O-N 2.91Å; T267-E270 WeakPolarHBondContact OG1-CG 3.4Å; T267-K271 PolarHBondContact O-N 2.83Å
268E59.3Low55.9Low85 Ų8586.4 Ų86.440%0.39750%0.502SS..Hα-helixtrans-59.7-28.6-175179.662.9-170.600112.5K271 R272E268-K271 IonicContact OE2-NZ 2.78Å; E268-K271 PolarHBondContact OE2-NZ 3.26Å; E268-R272 WeakPolarHBondContact O-CB 3.31Å; E268-R272 VanDerWaalsContact O-CG 3.22Å; E268-R272 WeakPolarHBondContact O-CG 3.23Å; E268-R272 PolarHBondContact O-N 3.41Å; E268-R272 IonicContact OE1-CZ 2.7Å; E268-R272 VanDerWaalsContact OE1-CZ 3.23Å; E268-R272 IonicContact OE1-NE 2.67Å; E268-R272 PolarHBondContact OE1-NE 3.29Å; E268-R272 IonicContact OE1-NH2 3.7Å; E268-R272 PolarHBondContact OE1-NH2 3Å
269E56.8Low56.5Low140 Ų14082.2 Ų82.265%0.65447%0.474SS*.Hα-helixtrans-73.4-38.3171.4-68.9-167.4111.100113.9T267 K271 R272 T273T267-E269 PolarHBondContact O-N 3.3Å; T267-E269 VanDerWaalsContact O-N 3.14Å; E269-K271 VanDerWaalsContact C-N 3.31Å; E269-R272 PolarHBondContact O-N 3.06Å; E269-T273 WeakPolarHBondContact O-CB 3.38Å; E269-T273 PolarHBondContact O-N 2.91Å; E269-T273 PolarHBondContact O-OG1 3.2Å
270E65.1Low56.8Low22 Ų2278.2 Ų78.210%0.10346%0.464CS..Hα-helixtrans-61.6-44.2172.7-70.1-175.8123.500110.5L266 T267 T273 L274 R299 I302L266-E270 WeakPolarHBondContact CA-OE2 3.4Å; L266-E270 HydrophobicContact CB-CB 4.18Å; L266-E270 HydrophobicContact CD2-CB 4.34Å; L266-E270 WeakPolarHBondContact CD2-OE2 3.31Å; T267-E270 PolarHBondContact N-OE2 3.23Å; T267-E270 VanDerWaalsContact N-OE2 3.09Å; T267-E270 WeakPolarHBondContact O-CB 3.32Å; T267-E270 PolarHBondContact O-N 2.91Å; T267-E270 WeakPolarHBondContact OG1-CG 3.4Å; E270-T273 PolarHBondContact O-N 3.46Å; E270-L274 PolarHBondContact O-N 2.93Å; E270-R299 IonicContact OE1-CZ 2.85Å; E270-R299 IonicContact OE1-NE 3.59Å; E270-R299 PolarHBondContact OE1-NE 3.39Å; E270-R299 IonicContact OE1-NH2 3.95Å; E270-R299 PolarHBondContact OE1-NH2 3.09Å; E270-R299 IonicContact OE2-NH2 2.66Å; E270-R299 PolarHBondContact OE2-NH2 3.33Å; E270-I302 HydrophobicContact CG-CD1 4.19Å
271K66Low57.9Low76 Ų7678.2 Ų78.233%0.3345%0.45SS..Hα-helixtrans-63.8-45.3177.8-179.5178.9154.4-142.50112.2T267 E268 E269 T273 L274 I275 I281T267-K271 PolarHBondContact O-N 2.83Å; E268-K271 IonicContact OE2-NZ 2.78Å; E268-K271 PolarHBondContact OE2-NZ 3.26Å; E269-K271 VanDerWaalsContact C-N 3.31Å; K271-T273 VanDerWaalsContact C-N 3.34Å; K271-T273 PolarHBondContact O-N 2.72Å; K271-L274 WeakPolarHBondContact O-CB 3.41Å; K271-L274 PolarHBondContact O-N 2.69Å; K271-I275 HydrophobicContact CG-CD1 4.46Å; K271-I275 WeakPolarHBondContact O-CD1 3.36Å; K271-I275 VanDerWaalsContact O-CG1 3.31Å; K271-I275 WeakPolarHBondContact O-CG1 3.29Å; K271-I275 PolarHBondContact O-N 3.45Å; K271-I281 HydrophobicContact CG-CD1 4.02Å; K271-I281 HydrophobicContact CG-CG1 4.41Å; K271-I281 HydrophobicContact CG-CG2 4.24Å
272R64.1Low58.5Low158 Ų15873.3 Ų73.360%0.59642%0.415SS*.Hα-helixtrans-62.7-39.2174-74.8172.3-169.7-165.14.2112.2E268 E269 I275 A276E268-R272 WeakPolarHBondContact O-CB 3.31Å; E268-R272 VanDerWaalsContact O-CG 3.22Å; E268-R272 WeakPolarHBondContact O-CG 3.23Å; E268-R272 PolarHBondContact O-N 3.41Å; E268-R272 IonicContact OE1-CZ 2.7Å; E268-R272 VanDerWaalsContact OE1-CZ 3.23Å; E268-R272 IonicContact OE1-NE 2.67Å; E268-R272 PolarHBondContact OE1-NE 3.29Å; E268-R272 IonicContact OE1-NH2 3.7Å; E268-R272 PolarHBondContact OE1-NH2 3Å; E269-R272 PolarHBondContact O-N 3.06Å; R272-I275 PolarHBondContact O-N 2.91Å; R272-A276 WeakPolarHBondContact O-CB 3.46Å; R272-A276 PolarHBondContact O-N 2.82Å; R272-A276 VanDerWaalsContact O-N 3.09Å
273T65.1Low58.9Low41 Ų4176.8 Ų76.825%0.25243%0.43SS..Hα-helixtrans-70.1-36.9178.3-49.30000112.1E269 E270 K271 A276 E277 I298 I302E269-T273 WeakPolarHBondContact O-CB 3.38Å; E269-T273 PolarHBondContact O-N 2.91Å; E269-T273 PolarHBondContact O-OG1 3.2Å; E270-T273 PolarHBondContact O-N 3.46Å; K271-T273 VanDerWaalsContact C-N 3.34Å; K271-T273 PolarHBondContact O-N 2.72Å; T273-A276 PolarHBondContact O-N 3.34Å; T273-E277 HydrophobicContact CG2-CG 4.37Å; T273-E277 WeakPolarHBondContact O-CB 3.49Å; T273-E277 WeakPolarHBondContact O-CG 3.43Å; T273-E277 PolarHBondContact O-N 2.96Å; T273-E277 VanDerWaalsContact O-N 3.07Å; T273-I298 HydrophobicContact CG2-CG2 3.79Å; T273-I302 HydrophobicContact CG2-CD1 4.24Å; T273-I302 HydrophobicContact CG2-CG1 3.95Å
274L65Low59Low4 Ų479.8 Ų79.82%0.02143%0.432CS..Hα-helixtrans-56.2-51.1172.1-89.7155.5000112.2L266 E270 K271 E277 G278 Y279 I298L266-L274 HydrophobicContact CD1-CD1 3.47Å; L266-L274 VanDerWaalsContact CD1-CD1 3.47Å; E270-L274 PolarHBondContact O-N 2.93Å; K271-L274 WeakPolarHBondContact O-CB 3.41Å; K271-L274 PolarHBondContact O-N 2.69Å; L274-E277 PolarHBondContact O-N 3.15Å; L274-G278 PolarHBondContact O-N 3.16Å; L274-Y279 CarbonylContact C-O 3.54Å; L274-Y279 PolarHBondContact O-N 3.26Å; L274-I298 HydrophobicContact CD2-CD1 3.37Å; L274-I298 HydrophobicContact CG-CD1 3.75Å
275I67.8Low59.2Low96 Ų9679.9 Ų79.949%0.49243%0.432SS..Hα-helixtrans-61.6-46.1179.9-59.3159.2000110.5K271 R272 E277 G278 I281K271-I275 HydrophobicContact CG-CD1 4.46Å; K271-I275 WeakPolarHBondContact O-CD1 3.36Å; K271-I275 VanDerWaalsContact O-CG1 3.31Å; K271-I275 WeakPolarHBondContact O-CG1 3.29Å; K271-I275 PolarHBondContact O-N 3.45Å; R272-I275 PolarHBondContact O-N 2.91Å; I275-E277 PolarHBondContact O-N 3.46Å; I275-G278 PolarHBondContact O-N 3.19Å; I275-I281 HydrophobicContact CD1-CD1 3.85Å; I275-I281 HydrophobicContact CD1-CG1 4.39Å; I275-I281 HydrophobicContact CG1-CD1 3.88Å; I275-I281 HydrophobicContact CG1-CG1 3.91Å
276A70.7Confident59.4Low88 Ų8879.3 Ų79.373%0.72743%0.432SS*.Hα-helixtrans-65.8-23.9-179.400000113.8R272 T273 G278R272-A276 WeakPolarHBondContact O-CB 3.46Å; R272-A276 PolarHBondContact O-N 2.82Å; R272-A276 VanDerWaalsContact O-N 3.09Å; T273-A276 PolarHBondContact O-N 3.34Å; A276-G278 VanDerWaalsContact C-N 3.32Å
277E62.7Low59.6Low65 Ų6579.8 Ų79.830%0.30443%0.434SS..THydrogen-bonded Turntrans-87.52.3172.8-65-109.1125.800113.1T273 L274 I275 Y279 I298 K301T273-E277 HydrophobicContact CG2-CG 4.37Å; T273-E277 WeakPolarHBondContact O-CB 3.49Å; T273-E277 WeakPolarHBondContact O-CG 3.43Å; T273-E277 PolarHBondContact O-N 2.96Å; T273-E277 VanDerWaalsContact O-N 3.07Å; L274-E277 PolarHBondContact O-N 3.15Å; I275-E277 PolarHBondContact O-N 3.46Å; E277-Y279 VanDerWaalsContact C-N 3.34Å; E277-Y279 HydrophobicContact CB-CD2 3.64Å; E277-Y279 HydrophobicContact CB-CE2 4.01Å; E277-I298 HydrophobicContact CG-CG1 4.33Å; E277-K301 WeakPolarHBondContact OE1-CD 3.46Å; E277-K301 WeakPolarHBondContact OE1-CE 3.48Å; E277-K301 IonicContact OE1-NZ 2.81Å; E277-K301 PolarHBondContact OE1-NZ 2.91Å; E277-K301 VanDerWaalsContact OE2-CD 3.29Å; E277-K301 WeakPolarHBondContact OE2-CD 3.21Å; E277-K301 WeakPolarHBondContact OE2-CE 3.19Å; E277-K301 IonicContact OE2-NZ 3.17Å; E277-K301 PolarHBondContact OE2-NZ 3.22Å
278G53.8Low60.2Low66 Ų6678.6 Ų78.668%0.6843%0.429SS*.THydrogen-bonded Turntrans76.614.2-179.200000115L274 I275 A276L274-G278 PolarHBondContact O-N 3.16Å; I275-G278 PolarHBondContact O-N 3.19Å; A276-G278 VanDerWaalsContact C-N 3.32Å
279Y56.7Low61.1Low91 Ų9182.4 Ų82.436%0.35744%0.444SS..  trans-96.1130.9179.6-68.3-66.4000111.5L274 E277 A294 I298L274-Y279 CarbonylContact C-O 3.54Å; L274-Y279 PolarHBondContact O-N 3.26Å; E277-Y279 VanDerWaalsContact C-N 3.34Å; E277-Y279 HydrophobicContact CB-CD2 3.64Å; E277-Y279 HydrophobicContact CB-CE2 4.01Å; Y279-A294 HydrophobicContact CD1-CB 4.4Å; Y279-A294 HydrophobicContact CG-CB 4.5Å; Y279-I298 HydrophobicContact CD2-CD1 3.87Å
280P52.2Low62.1Low104 Ų10479.4 Ų79.468%0.67544%0.439SS*.  trans-64.5144.7177.428.1-34.8000110.9P282P280-P282 WeakPolarHBondContact O-CD 3.18Å
281I56.3Low62.7Low59 Ų5981.1 Ų81.130%0.30345%0.447SS..  trans-73.6112.3-175-51.1164.7000109.5K271 I275 T283K271-I281 HydrophobicContact CG-CD1 4.02Å; K271-I281 HydrophobicContact CG-CG1 4.41Å; K271-I281 HydrophobicContact CG-CG2 4.24Å; I275-I281 HydrophobicContact CD1-CD1 3.85Å; I275-I281 HydrophobicContact CD1-CG1 4.39Å; I275-I281 HydrophobicContact CG1-CD1 3.88Å; I275-I281 HydrophobicContact CG1-CG1 3.91Å; I281-T283 HydrophobicContact CG2-CG2 4.22Å; I281-T283 PolarHBondContact O-N 3.08Å; I281-T283 PolarHBondContact O-OG1 2.88Å
282P56.5Low63.5Low13 Ų1382.1 Ų82.18%0.08445%0.453CS..  trans-70.8104.8-177.5-18.234000110.3P280 L287 E291P280-P282 WeakPolarHBondContact O-CD 3.18Å; P282-L287 HydrophobicContact CB-CD2 3.56Å; P282-L287 HydrophobicContact CG-CD2 4.02Å; P282-E291 HydrophobicContact CG-CB 4.27Å; P282-E291 HydrophobicContact CG-CG 4.41Å
283T55.8Low64.5Low103 Ų10381.7 Ų81.763%0.63246%0.455SS*.  trans-105.7-5.3-168.229.30000114.3I281I281-T283 HydrophobicContact CG2-CG2 4.22Å; I281-T283 PolarHBondContact O-N 3.08Å; I281-T283 PolarHBondContact O-OG1 2.88Å
284K46.2Very low65.2Low174 Ų17480.3 Ų80.376%0.75745%0.448SS*.SBendtrans-138.9137.2176.2-63.2-171.6179.7-177.40110.8
285L53.3Low66Low54 Ų5480.8 Ų80.828%0.28345%0.451SS..SBendtrans-79.8155.6168.6-75177.7000110.9G262 L287G262-L285 WeakPolarHBondContact O-CD1 3.46Å; G262-L285 WeakPolarHBondContact O-CG 3.38Å; L285-L287 HydrophobicContact CD2-CD1 3.82Å; L285-L287 HydrophobicContact CD2-CG 4Å
286P56.3Low66.9Low121 Ų12184.1 Ų84.179%0.78646%0.461SS*.SBendcis-76.2141.6-3.832.1-34.5000112.2
287L60.5Low67.7Low31 Ų3185.3 Ų85.316%0.16245%0.45CS..PPolyproline II helixtrans-60.3138.6167.9-75.2141.4000109.9L264 P282 L285 E291 E292L264-L287 HydrophobicContact CD1-CD1 4.21Å; L264-L287 HydrophobicContact CD2-CD1 3.97Å; L264-L287 HydrophobicContact CD2-CD2 4.13Å; L264-L287 HydrophobicContact CD2-CG 4.45Å; P282-L287 HydrophobicContact CB-CD2 3.56Å; P282-L287 HydrophobicContact CG-CD2 4.02Å; L285-L287 HydrophobicContact CD2-CD1 3.82Å; L285-L287 HydrophobicContact CD2-CG 4Å; L287-E291 HydrophobicContact CB-CB 4.48Å; L287-E291 HydrophobicContact CD2-CB 3.63Å; L287-E292 HydrophobicContact CB-CG 3.8Å; L287-E292 HydrophobicContact CD1-CG 4.42Å
288S74Confident68.8Low59 Ų5982.2 Ų82.241%0.41344%0.436SS..PPolyproline II helixtrans-67.1149.2165179.60000110.7S290 E291 E292S288-S290 WeakPolarHBondContact CB-OG 3.39Å; S288-S290 PolarHBondContact O-N 3.43Å; S288-S290 PolarHBondContact OG-N 3.4Å; S288-S290 PolarHBondContact OG-OG 3.43Å; S288-E291 WeakPolarHBondContact CB-OE2 3.34Å; S288-E291 PolarHBondContact N-OE2 2.93Å; S288-E291 PolarHBondContact O-N 3.05Å; S288-E292 PolarHBondContact O-N 3.35Å; S288-E292 VanDerWaalsContact O-N 3.1Å
289K78.7Confident70.4Confident165 Ų16585 Ų8572%0.71743%0.426SS*.THydrogen-bonded Turntrans-58.9-13.2173.8-65.8179.6179.61760113.5K293K289-K293 VanDerWaalsContact O-CD 3.29Å; K289-K293 WeakPolarHBondContact O-CD 3.49Å; K289-K293 VanDerWaalsContact O-CG 3.25Å; K289-K293 WeakPolarHBondContact O-CG 3.36Å
290S78.6Confident72Confident77 Ų7789.9 Ų89.954%0.53844%0.443SS..THydrogen-bonded Turntrans-79.2-43.1168.649.60000112.5S288 K293 A294S288-S290 WeakPolarHBondContact CB-OG 3.39Å; S288-S290 PolarHBondContact O-N 3.43Å; S288-S290 PolarHBondContact OG-N 3.4Å; S288-S290 PolarHBondContact OG-OG 3.43Å; S290-K293 WeakPolarHBondContact O-CB 3.38Å; S290-K293 PolarHBondContact O-N 3.36Å; S290-A294 PolarHBondContact O-N 3.02Å
291E77.6Confident73.9Confident59 Ų5989.9 Ų89.928%0.27643%0.433SS..Hα-helixtrans-70.7-40.4-178.2-61.4172.3122.300111.5P282 L287 S288 K293 A294 L295P282-E291 HydrophobicContact CG-CB 4.27Å; P282-E291 HydrophobicContact CG-CG 4.41Å; L287-E291 HydrophobicContact CB-CB 4.48Å; L287-E291 HydrophobicContact CD2-CB 3.63Å; S288-E291 WeakPolarHBondContact CB-OE2 3.34Å; S288-E291 PolarHBondContact N-OE2 2.93Å; S288-E291 PolarHBondContact O-N 3.05Å; E291-K293 VanDerWaalsContact C-N 3.26Å; E291-K293 PolarHBondContact O-N 3.02Å; E291-A294 WeakPolarHBondContact O-CB 3.47Å; E291-A294 PolarHBondContact O-N 3.11Å; E291-A294 VanDerWaalsContact O-N 3.11Å; E291-L295 WeakPolarHBondContact O-CB 3.32Å; E291-L295 PolarHBondContact O-N 3.43Å
292E81.6Confident75.2Confident96 Ų9688.7 Ų88.745%0.44943%0.427SS..Hα-helixtrans-56.9-41171.8-63.3-175.9135.500111.7L287 S288 K296L287-E292 HydrophobicContact CB-CG 3.8Å; L287-E292 HydrophobicContact CD1-CG 4.42Å; S288-E292 PolarHBondContact O-N 3.35Å; S288-E292 VanDerWaalsContact O-N 3.1Å; E292-K296 WeakPolarHBondContact O-CB 3.29Å; E292-K296 PolarHBondContact O-N 3.36Å
293K84.6Confident76.9Confident149 Ų14995.9 Ų95.965%0.64846%0.457SS*.Hα-helixtrans-69.2-36.6176.2-71.9175.6-174.8179.90111.9K289 S290 E291 K297K289-K293 VanDerWaalsContact O-CD 3.29Å; K289-K293 WeakPolarHBondContact O-CD 3.49Å; K289-K293 VanDerWaalsContact O-CG 3.25Å; K289-K293 WeakPolarHBondContact O-CG 3.36Å; S290-K293 WeakPolarHBondContact O-CB 3.38Å; S290-K293 PolarHBondContact O-N 3.36Å; E291-K293 VanDerWaalsContact C-N 3.26Å; E291-K293 PolarHBondContact O-N 3.02Å; K293-K297 WeakPolarHBondContact O-CG 3.44Å; K293-K297 PolarHBondContact O-N 3.02Å; K293-K297 VanDerWaalsContact O-N 3.13Å
294A81.3Confident78.8Confident13 Ų1396.3 Ų96.311%0.10746%0.455CS..Hα-helixtrans-65.9-50.4174.500000111.2Y279 S290 E291 K296 K297 I298Y279-A294 HydrophobicContact CD1-CB 4.4Å; Y279-A294 HydrophobicContact CG-CB 4.5Å; S290-A294 PolarHBondContact O-N 3.02Å; E291-A294 WeakPolarHBondContact O-CB 3.47Å; E291-A294 PolarHBondContact O-N 3.11Å; E291-A294 VanDerWaalsContact O-N 3.11Å; A294-K296 VanDerWaalsContact C-N 3.29Å; A294-K296 PolarHBondContact O-N 3.26Å; A294-K297 WeakPolarHBondContact O-CA 3.38Å; A294-K297 WeakPolarHBondContact O-CB 3.34Å; A294-K297 PolarHBondContact O-N 2.86Å; A294-I298 WeakPolarHBondContact O-CG1 3.43Å; A294-I298 PolarHBondContact O-N 2.94Å
295L80.1Confident81.2Confident14 Ų1495.1 Ų95.17%0.07345%0.45CS..Hα-helixtrans-59.1-39.1177.1-176.959.9000111.9L264 L266 E291 I298 R299L264-L295 HydrophobicContact CD2-CD2 4.18Å; L266-L295 HydrophobicContact CD2-CD1 3.59Å; L266-L295 HydrophobicContact CD2-CD2 3.9Å; L266-L295 HydrophobicContact CD2-CG 4.42Å; E291-L295 WeakPolarHBondContact O-CB 3.32Å; E291-L295 PolarHBondContact O-N 3.43Å; L295-I298 PolarHBondContact O-N 3.48Å; L295-R299 HydrophobicContact CD1-CG 4.3Å; L295-R299 WeakPolarHBondContact O-CB 3.4Å; L295-R299 WeakPolarHBondContact O-CG 3.34Å; L295-R299 PolarHBondContact O-N 3.45Å
296K86.6Confident82.8Confident165 Ų16597 Ų9772%0.71746%0.46SS*.Hα-helixtrans-63.2-39.1173.3-173.4171.7-178.5174.20112.8E292 A294 R300E292-K296 WeakPolarHBondContact O-CB 3.29Å; E292-K296 PolarHBondContact O-N 3.36Å; A294-K296 VanDerWaalsContact C-N 3.29Å; A294-K296 PolarHBondContact O-N 3.26Å; K296-R300 PolarHBondContact O-N 3.28Å
297K88.2Confident84.7Confident113 Ų11394.9 Ų94.949%0.49145%0.447SS..Hα-helixtrans-63.9-43.8173.1-73.3174.7178.2-176.80111.3K293 A294 R300 K301K293-K297 WeakPolarHBondContact O-CG 3.44Å; K293-K297 PolarHBondContact O-N 3.02Å; K293-K297 VanDerWaalsContact O-N 3.13Å; A294-K297 WeakPolarHBondContact O-CA 3.38Å; A294-K297 WeakPolarHBondContact O-CB 3.34Å; A294-K297 PolarHBondContact O-N 2.86Å; K297-R300 WeakPolarHBondContact O-CB 3.49Å; K297-R300 PolarHBondContact O-N 3Å; K297-K301 PolarHBondContact O-N 2.87Å
298I85.7Confident86.4Confident0 Ų095.3 Ų95.30%046%0.455CS..Hα-helixtrans-69.3-45.7-176.3-71.1161.2000111.3T273 L274 E277 Y279 A294 L295 R300 K301 I302T273-I298 HydrophobicContact CG2-CG2 3.79Å; L274-I298 HydrophobicContact CD2-CD1 3.37Å; L274-I298 HydrophobicContact CG-CD1 3.75Å; E277-I298 HydrophobicContact CG-CG1 4.33Å; Y279-I298 HydrophobicContact CD2-CD1 3.87Å; A294-I298 WeakPolarHBondContact O-CG1 3.43Å; A294-I298 PolarHBondContact O-N 2.94Å; L295-I298 PolarHBondContact O-N 3.48Å; I298-R300 PolarHBondContact O-N 2.91Å; I298-K301 WeakPolarHBondContact O-CA 3.42Å; I298-K301 PolarHBondContact O-N 2.86Å; I298-I302 HydrophobicContact CG2-CD1 3.9Å; I298-I302 HydrophobicContact CG2-CG1 4.41Å; I298-I302 WeakPolarHBondContact O-CG1 3.32Å; I298-I302 PolarHBondContact O-N 3.01Å
299R87.2Confident87.5Confident125 Ų12597.7 Ų97.747%0.47246%0.46SS..Hα-helixtrans-54.9-40171-74.8177.6169.8173.6-2112.2E270 L295 K303E270-R299 IonicContact OE1-CZ 2.85Å; E270-R299 IonicContact OE1-NE 3.59Å; E270-R299 PolarHBondContact OE1-NE 3.39Å; E270-R299 IonicContact OE1-NH2 3.95Å; E270-R299 PolarHBondContact OE1-NH2 3.09Å; E270-R299 IonicContact OE2-NH2 2.66Å; E270-R299 PolarHBondContact OE2-NH2 3.33Å; L295-R299 HydrophobicContact CD1-CG 4.3Å; L295-R299 WeakPolarHBondContact O-CB 3.4Å; L295-R299 WeakPolarHBondContact O-CG 3.34Å; L295-R299 PolarHBondContact O-N 3.45Å; R299-K303 WeakPolarHBondContact O-CB 3.32Å; R299-K303 PolarHBondContact O-N 3.03Å
300R90.8Very high88.3Confident193 Ų19394.3 Ų94.373%0.72845%0.447SS*.Hα-helixtrans-66-41.8173.6-170.5179.671.9163.14.8112.3K296 K297 I298 N304K296-R300 PolarHBondContact O-N 3.28Å; K297-R300 WeakPolarHBondContact O-CB 3.49Å; K297-R300 PolarHBondContact O-N 3Å; I298-R300 PolarHBondContact O-N 2.91Å; R300-N304 WeakPolarHBondContact O-CB 3.18Å; R300-N304 PolarHBondContact O-N 3.01Å
301K91.3Very high89.2Confident105 Ų10594.6 Ų94.646%0.45745%0.448SS..Hα-helixtrans-64.8-44.4177-78.2-178.5170.3-177.70112.2E277 K297 I298 N304 K305E277-K301 WeakPolarHBondContact OE1-CD 3.46Å; E277-K301 WeakPolarHBondContact OE1-CE 3.48Å; E277-K301 IonicContact OE1-NZ 2.81Å; E277-K301 PolarHBondContact OE1-NZ 2.91Å; E277-K301 VanDerWaalsContact OE2-CD 3.29Å; E277-K301 WeakPolarHBondContact OE2-CD 3.21Å; E277-K301 WeakPolarHBondContact OE2-CE 3.19Å; E277-K301 IonicContact OE2-NZ 3.17Å; E277-K301 PolarHBondContact OE2-NZ 3.22Å; K297-K301 PolarHBondContact O-N 2.87Å; I298-K301 WeakPolarHBondContact O-CA 3.42Å; I298-K301 PolarHBondContact O-N 2.86Å; K301-N304 PolarHBondContact O-N 3.43Å; K301-K305 WeakPolarHBondContact O-CB 3.37Å; K301-K305 PolarHBondContact O-N 2.79Å
302I85.3Confident90.2Very high33 Ų33101 Ų10117%0.16947%0.47CS..Hα-helixtrans-58.9-51.1174.7-65.3167.9000110.1E270 T273 I298 N304 K305 I306E270-I302 HydrophobicContact CG-CD1 4.19Å; T273-I302 HydrophobicContact CG2-CD1 4.24Å; T273-I302 HydrophobicContact CG2-CG1 3.95Å; I298-I302 HydrophobicContact CG2-CD1 3.9Å; I298-I302 HydrophobicContact CG2-CG1 4.41Å; I298-I302 WeakPolarHBondContact O-CG1 3.32Å; I298-I302 PolarHBondContact O-N 3.01Å; I302-N304 VanDerWaalsContact C-N 3.3Å; I302-N304 PolarHBondContact O-N 3.14Å; I302-K305 WeakPolarHBondContact O-CB 3.28Å; I302-K305 PolarHBondContact O-N 3.46Å; I302-I306 HydrophobicContact CG2-CD1 3.86Å; I302-I306 WeakPolarHBondContact O-CG1 3.44Å; I302-I306 PolarHBondContact O-N 3.27Å
303K92.2Very high91Very high165 Ų165102.1 Ų102.172%0.71747%0.47SS*.Hα-helixtrans-60.2-39178.8-163.9173.7-171.4179.40112.4R299 S307R299-K303 WeakPolarHBondContact O-CB 3.32Å; R299-K303 PolarHBondContact O-N 3.03Å; K303-S307 VanDerWaalsContact O-CB 3.28Å; K303-S307 WeakPolarHBondContact O-CB 3.38Å; K303-S307 PolarHBondContact O-N 3.44Å
304N95.3Very high91.7Very high112 Ų112101.7 Ų101.760%0.59947%0.468SS*.Hα-helixtrans-68.2-41.8175.9-166.135000112.4R300 K301 I302 I306 S307 A308R300-N304 WeakPolarHBondContact O-CB 3.18Å; R300-N304 PolarHBondContact O-N 3.01Å; K301-N304 PolarHBondContact O-N 3.43Å; I302-N304 VanDerWaalsContact C-N 3.3Å; I302-N304 PolarHBondContact O-N 3.14Å; N304-I306 PolarHBondContact O-N 3.41Å; N304-S307 PolarHBondContact O-N 2.88Å; N304-A308 VanDerWaalsContact O-CB 3.31Å; N304-A308 WeakPolarHBondContact O-CB 3.29Å; N304-A308 PolarHBondContact O-N 2.96Å
305K95.2Very high92.5Very high148 Ų148108 Ų10864%0.64349%0.493SS*.Hα-helixtrans-57.6-48.8175.7-176.7-170174.8-167.90111K301 I302 A308 Q309K301-K305 WeakPolarHBondContact O-CB 3.37Å; K301-K305 PolarHBondContact O-N 2.79Å; I302-K305 WeakPolarHBondContact O-CB 3.28Å; I302-K305 PolarHBondContact O-N 3.46Å; K305-A308 PolarHBondContact O-N 3.2Å; K305-Q309 WeakPolarHBondContact O-CB 3.11Å; K305-Q309 PolarHBondContact O-N 3.26Å
306I88.2Confident93.4Very high95 Ų95113.2 Ų113.249%0.48752%0.515SS..Hα-helixtrans-63-48.6177.9-64.1167.9000110.2I302 N304 A308 Q309 E310I302-I306 HydrophobicContact CG2-CD1 3.86Å; I302-I306 WeakPolarHBondContact O-CG1 3.44Å; I302-I306 PolarHBondContact O-N 3.27Å; N304-I306 PolarHBondContact O-N 3.41Å; I306-A308 VanDerWaalsContact C-N 3.34Å; I306-A308 PolarHBondContact O-N 3.43Å; I306-Q309 PolarHBondContact O-N 2.91Å; I306-E310 WeakPolarHBondContact O-CB 3.27Å; I306-E310 PolarHBondContact O-N 3.29Å
307S95.8Very high93.9Very high76 Ų76109.6 Ų109.653%0.53150%0.501SS..Hα-helixtrans-58.7-41.6178.7-170.20000113K303 N304 S311K303-S307 VanDerWaalsContact O-CB 3.28Å; K303-S307 WeakPolarHBondContact O-CB 3.38Å; K303-S307 PolarHBondContact O-N 3.44Å; N304-S307 PolarHBondContact O-N 2.88Å; S307-S311 WeakPolarHBondContact O-CB 3.44Å; S307-S311 PolarHBondContact O-N 3.32Å
308A97.2Very high94.4Very high40 Ų40111.2 Ų111.233%0.33151%0.505SS..Hα-helixtrans-71.9-36.3177.500000112.5N304 K305 I306 R312N304-A308 VanDerWaalsContact O-CB 3.31Å; N304-A308 WeakPolarHBondContact O-CB 3.29Å; N304-A308 PolarHBondContact O-N 2.96Å; K305-A308 PolarHBondContact O-N 3.2Å; I306-A308 VanDerWaalsContact C-N 3.34Å; I306-A308 PolarHBondContact O-N 3.43Å; A308-R312 WeakPolarHBondContact O-CD 3.37Å; A308-R312 VanDerWaalsContact O-CG 3.23Å; A308-R312 WeakPolarHBondContact O-CG 3.45Å; A308-R312 PolarHBondContact O-N 3.27Å; A308-R312 VanDerWaalsContact O-N 3.13Å
309Q97.1Very high95Very high109 Ų109115 Ų11551%0.50952%0.524SS..Hα-helixtrans-65.5-43.6173.9-178.8172.9-6.500111.3K305 I306 R312 R313K305-Q309 WeakPolarHBondContact O-CB 3.11Å; K305-Q309 PolarHBondContact O-N 3.26Å; I306-Q309 PolarHBondContact O-N 2.91Å; Q309-R312 WeakPolarHBondContact O-CB 3.44Å; Q309-R312 PolarHBondContact O-N 3.41Å; Q309-R313 PolarHBondContact O-N 3.08Å
310E94.7Very high95.6Very high94 Ų94111.9 Ų111.944%0.43952%0.517SS..Hα-helixtrans-71.8-36.2-178.8-163.361.8-168.100112.3I306 R312 R313 K314I306-E310 WeakPolarHBondContact O-CB 3.27Å; I306-E310 PolarHBondContact O-N 3.29Å; E310-R312 VanDerWaalsContact C-N 3.33Å; E310-R312 PolarHBondContact O-N 3.07Å; E310-R313 WeakPolarHBondContact O-CB 3.41Å; E310-R313 PolarHBondContact O-N 3.29Å; E310-R313 WeakPolarHBondContact OE1-CD 3.48Å; E310-R313 IonicContact OE1-NE 3.55Å; E310-R313 WeakPolarHBondContact OE2-CD 3.37Å; E310-R313 IonicContact OE2-CZ 3.7Å; E310-R313 IonicContact OE2-NE 3.46Å; E310-R313 PolarHBondContact OE2-NE 2.89Å; E310-K314 WeakPolarHBondContact O-CB 3.45Å; E310-K314 PolarHBondContact O-N 3.48Å
311S98.4Very high95.9Very high82 Ų82105.8 Ų105.857%0.57350%0.503SS*.Hα-helixtrans-60.2-41.2169.4175.40000112.2S307 K315S307-S311 WeakPolarHBondContact O-CB 3.44Å; S307-S311 PolarHBondContact O-N 3.32Å; S311-K315 PolarHBondContact O-N 2.98Å
312R98.5Very high96.3Very high195 Ų195104 Ų10474%0.73650%0.498SS*.Hα-helixtrans-67.6-42.9174.9-71.9168.4-177.4-166.2-0.7112.1A308 Q309 E310 K315 K316A308-R312 WeakPolarHBondContact O-CD 3.37Å; A308-R312 VanDerWaalsContact O-CG 3.23Å; A308-R312 WeakPolarHBondContact O-CG 3.45Å; A308-R312 PolarHBondContact O-N 3.27Å; A308-R312 VanDerWaalsContact O-N 3.13Å; Q309-R312 WeakPolarHBondContact O-CB 3.44Å; Q309-R312 PolarHBondContact O-N 3.41Å; E310-R312 VanDerWaalsContact C-N 3.33Å; E310-R312 PolarHBondContact O-N 3.07Å; R312-K315 PolarHBondContact O-N 3.39Å; R312-K316 PolarHBondContact O-N 3.06Å
313R98.1Very high96.9Very high118 Ų118107.9 Ų107.945%0.44552%0.516SS..Hα-helixtrans-54.6-56.9173.4178.9-159.4-65.9-78.61.9110.2Q309 E310 K315 K316 E317Q309-R313 PolarHBondContact O-N 3.08Å; E310-R313 WeakPolarHBondContact O-CB 3.41Å; E310-R313 PolarHBondContact O-N 3.29Å; E310-R313 WeakPolarHBondContact OE1-CD 3.48Å; E310-R313 IonicContact OE1-NE 3.55Å; E310-R313 WeakPolarHBondContact OE2-CD 3.37Å; E310-R313 IonicContact OE2-CZ 3.7Å; E310-R313 IonicContact OE2-NE 3.46Å; E310-R313 PolarHBondContact OE2-NE 2.89Å; R313-K315 VanDerWaalsContact C-N 3.28Å; R313-K315 PolarHBondContact O-N 3.36Å; R313-K316 CarbonylContact O-C 3.59Å; R313-K316 WeakPolarHBondContact O-CA 3.41Å; R313-K316 WeakPolarHBondContact O-CB 3.48Å; R313-K316 PolarHBondContact O-N 3.03Å; R313-E317 WeakPolarHBondContact CD-OE1 3.24Å; R313-E317 HydrophobicContact CG-CG 4.29Å; R313-E317 WeakPolarHBondContact CG-OE1 3.49Å; R313-E317 WeakPolarHBondContact O-CG 3.23Å; R313-E317 PolarHBondContact O-N 2.86Å
314K98.5Very high97.2Very high140 Ų140107.1 Ų107.161%0.60951%0.513SS*.Hα-helixtrans-62.7-32.9-177.6-172.5165.7-176.6168.60112.9E310 Y318E310-K314 WeakPolarHBondContact O-CB 3.45Å; E310-K314 PolarHBondContact O-N 3.48Å; K314-Y318 WeakPolarHBondContact O-CB 3.43Å; K314-Y318 PolarHBondContact O-N 3.13Å
315K98.4Very high97.4Very high145 Ų145109 Ų10963%0.6352%0.515SS*.Hα-helixtrans-66-40.5170.9-174.6177.4178.3-177.50111.9S311 R312 R313 M319S311-K315 PolarHBondContact O-N 2.98Å; R312-K315 PolarHBondContact O-N 3.39Å; R313-K315 VanDerWaalsContact C-N 3.28Å; R313-K315 PolarHBondContact O-N 3.36Å; K315-M319 PolarHBondContact O-N 3.49Å; K315-M319 VanDerWaalsContact O-N 3.17Å
316K98.3Very high97.5Very high124 Ų124106.9 Ų106.954%0.53952%0.515SS..Hα-helixtrans-64.1-52.8174.3-175.5179.1-167.6-61.10110.8R312 R313 Y318 M319 D320R312-K316 PolarHBondContact O-N 3.06Å; R313-K316 CarbonylContact O-C 3.59Å; R313-K316 WeakPolarHBondContact O-CA 3.41Å; R313-K316 WeakPolarHBondContact O-CB 3.48Å; R313-K316 PolarHBondContact O-N 3.03Å; K316-Y318 PolarHBondContact O-N 3.3Å; K316-Y318 VanDerWaalsContact O-N 3.15Å; K316-M319 CarbonylContact O-C 3.57Å; K316-M319 WeakPolarHBondContact O-CA 3.32Å; K316-M319 WeakPolarHBondContact O-CB 3.49Å; K316-M319 PolarHBondContact O-N 3.23Å; K316-D320 WeakPolarHBondContact CG-OD1 3.44Å; K316-D320 IonicContact NZ-OD1 3.04Å; K316-D320 PolarHBondContact NZ-OD1 2.75Å; K316-D320 IonicContact NZ-OD2 3.43Å; K316-D320 PolarHBondContact NZ-OD2 3.02Å; K316-D320 VanDerWaalsContact O-CG 3.29Å; K316-D320 PolarHBondContact O-N 3.05Å
317E98.4Very high98Very high90 Ų90108.5 Ų108.542%0.42152%0.52SS..Hα-helixtrans-56.4-34.4-179.8-70.5165.9173.400112.6R313 S321R313-E317 WeakPolarHBondContact CD-OE1 3.24Å; R313-E317 HydrophobicContact CG-CG 4.29Å; R313-E317 WeakPolarHBondContact CG-OE1 3.49Å; R313-E317 WeakPolarHBondContact O-CG 3.23Å; R313-E317 PolarHBondContact O-N 2.86Å; E317-S321 WeakPolarHBondContact O-CB 3.36Å; E317-S321 PolarHBondContact O-N 3.43Å; E317-S321 PolarHBondContact O-OG 3.11Å
318Y98.5Very high98.2Very high146 Ų146108 Ų10857%0.57352%0.517SS*.Hα-helixtrans-66.9-42.3170.9176.6-102.8000112.9K314 K316 S321 L322K314-Y318 WeakPolarHBondContact O-CB 3.43Å; K314-Y318 PolarHBondContact O-N 3.13Å; K316-Y318 PolarHBondContact O-N 3.3Å; K316-Y318 VanDerWaalsContact O-N 3.15Å; Y318-S321 PolarHBondContact O-N 3.43Å; Y318-L322 HydrophobicContact CD1-CD1 4.17Å; Y318-L322 HydrophobicContact CE1-CD1 3.5Å; Y318-L322 HydrophobicContact CE1-CG 4.18Å; Y318-L322 HydrophobicContact CE2-CG 4.43Å; Y318-L322 WeakPolarHBondContact O-CG 3.43Å; Y318-L322 PolarHBondContact O-N 2.99Å
319M98.7Very high98.2Very high80 Ų80109.8 Ų109.839%0.39453%0.526SS..Hα-helixtrans-66.8-50.8176.6-157.173.177.200111.4K315 K316 S321 L322 E323K315-M319 PolarHBondContact O-N 3.49Å; K315-M319 VanDerWaalsContact O-N 3.17Å; K316-M319 CarbonylContact O-C 3.57Å; K316-M319 WeakPolarHBondContact O-CA 3.32Å; K316-M319 WeakPolarHBondContact O-CB 3.49Å; K316-M319 PolarHBondContact O-N 3.23Å; M319-S321 PolarHBondContact O-N 2.95Å; M319-S321 VanDerWaalsContact O-N 3.12Å; M319-L322 WeakPolarHBondContact O-CA 3.38Å; M319-L322 WeakPolarHBondContact O-CB 3.28Å; M319-L322 PolarHBondContact O-N 3.33Å; M319-E323 VanDerWaalsContact CG-OE1 3.29Å; M319-E323 WeakPolarHBondContact CG-OE1 3.49Å; M319-E323 WeakPolarHBondContact O-CG 3.36Å; M319-E323 PolarHBondContact O-N 3.27Å
320D98.1Very high98.3Very high59 Ų59108.2 Ų108.232%0.31653%0.527SS..Hα-helixtrans-51.9-36.7173.9-614000110.9K316 K324K316-D320 WeakPolarHBondContact CG-OD1 3.44Å; K316-D320 IonicContact NZ-OD1 3.04Å; K316-D320 PolarHBondContact NZ-OD1 2.75Å; K316-D320 IonicContact NZ-OD2 3.43Å; K316-D320 PolarHBondContact NZ-OD2 3.02Å; K316-D320 VanDerWaalsContact O-CG 3.29Å; K316-D320 PolarHBondContact O-N 3.05Å; D320-K324 WeakPolarHBondContact O-CB 3.42Å; D320-K324 PolarHBondContact O-N 3.32Å
321S98.5Very high98.5Very high65 Ų65107.4 Ų107.446%0.45553%0.529SS..Hα-helixtrans-75.7-28.5176.6-62.60000114.4E317 Y318 M319 K325E317-S321 WeakPolarHBondContact O-CB 3.36Å; E317-S321 PolarHBondContact O-N 3.43Å; E317-S321 PolarHBondContact O-OG 3.11Å; Y318-S321 PolarHBondContact O-N 3.43Å; M319-S321 PolarHBondContact O-N 2.95Å; M319-S321 VanDerWaalsContact O-N 3.12Å; S321-K325 VanDerWaalsContact O-CG 3.3Å; S321-K325 WeakPolarHBondContact O-CG 3.45Å; S321-K325 PolarHBondContact O-N 3.04Å
322L98.7Very high98.5Very high67 Ų67109 Ų10935%0.35153%0.527SS..Hα-helixtrans-75-45.9172-73.9-179.5000110.7Y318 M319 K324 K325 V326Y318-L322 HydrophobicContact CD1-CD1 4.17Å; Y318-L322 HydrophobicContact CE1-CD1 3.5Å; Y318-L322 HydrophobicContact CE1-CG 4.18Å; Y318-L322 HydrophobicContact CE2-CG 4.43Å; Y318-L322 WeakPolarHBondContact O-CG 3.43Å; Y318-L322 PolarHBondContact O-N 2.99Å; M319-L322 WeakPolarHBondContact O-CA 3.38Å; M319-L322 WeakPolarHBondContact O-CB 3.28Å; M319-L322 PolarHBondContact O-N 3.33Å; L322-K324 VanDerWaalsContact C-N 3.34Å; L322-K324 PolarHBondContact O-N 3.07Å; L322-K325 WeakPolarHBondContact O-CA 3.38Å; L322-K325 WeakPolarHBondContact O-CB 3.5Å; L322-K325 PolarHBondContact O-N 3.35Å; L322-V326 WeakPolarHBondContact O-CG2 3.47Å; L322-V326 PolarHBondContact O-N 3.13Å
323E98.5Very high98.5Very high116 Ų116103 Ų10354%0.54251%0.51SS..Hα-helixtrans-55.2-49.4176.2-70.5165.9-169.300110.3M319 K325 V326 E327M319-E323 VanDerWaalsContact CG-OE1 3.29Å; M319-E323 WeakPolarHBondContact CG-OE1 3.49Å; M319-E323 WeakPolarHBondContact O-CG 3.36Å; M319-E323 PolarHBondContact O-N 3.27Å; E323-K325 VanDerWaalsContact C-N 3.3Å; E323-K325 PolarHBondContact O-N 3.38Å; E323-V326 PolarHBondContact O-N 3.48Å; E323-V326 VanDerWaalsContact O-N 3.16Å; E323-E327 PolarHBondContact O-N 3.21Å
324K98.7Very high98.5Very high149 Ų149101.8 Ų101.865%0.64851%0.511SS*.Hα-helixtrans-61.1-32.8174.5-175.2171.8-178.3175.70114D320 L322 S328D320-K324 WeakPolarHBondContact O-CB 3.42Å; D320-K324 PolarHBondContact O-N 3.32Å; L322-K324 VanDerWaalsContact C-N 3.34Å; L322-K324 PolarHBondContact O-N 3.07Å; K324-S328 VanDerWaalsContact O-CB 3.32Å; K324-S328 WeakPolarHBondContact O-CB 3.29Å; K324-S328 PolarHBondContact O-N 3.44Å
325K98.6Very high98.5Very high150 Ų150100 Ų10065%0.65251%0.506SS*.Hα-helixtrans-71.9-38.1175.2-80.5177.5177.6-171.50112S321 L322 E323 C329S321-K325 VanDerWaalsContact O-CG 3.3Å; S321-K325 WeakPolarHBondContact O-CG 3.45Å; S321-K325 PolarHBondContact O-N 3.04Å; L322-K325 WeakPolarHBondContact O-CA 3.38Å; L322-K325 WeakPolarHBondContact O-CB 3.5Å; L322-K325 PolarHBondContact O-N 3.35Å; E323-K325 VanDerWaalsContact C-N 3.3Å; E323-K325 PolarHBondContact O-N 3.38Å; K325-C329 VanDerWaalsContact O-CB 3.26Å; K325-C329 WeakPolarHBondContact O-CB 3.47Å; K325-C329 PolarHBondContact O-N 3.45Å
326V98.7Very high98.5Very high105 Ų10597.1 Ų97.164%0.63650%0.496SS*.Hα-helixtrans-65.5-45.1174.51730000110.2L322 E323 C329 S330L322-V326 WeakPolarHBondContact O-CG2 3.47Å; L322-V326 PolarHBondContact O-N 3.13Å; E323-V326 PolarHBondContact O-N 3.48Å; E323-V326 VanDerWaalsContact O-N 3.16Å; V326-C329 PolarHBondContact O-N 3.24Å; V326-S330 VanDerWaalsContact O-CB 3.3Å; V326-S330 WeakPolarHBondContact O-CB 3.32Å; V326-S330 PolarHBondContact O-N 3.22Å
327E98.6Very high98.5Very high128 Ų12899.2 Ų99.260%0.59850%0.501SS*.Hα-helixtrans-58.2-51.8173.6-176.7179.9-130.600111.4E323 C329 S330 T331E323-E327 PolarHBondContact O-N 3.21Å; E327-C329 PolarHBondContact O-N 2.89Å; E327-S330 WeakPolarHBondContact O-CB 3.41Å; E327-S330 PolarHBondContact O-N 2.9Å; E327-S330 VanDerWaalsContact O-N 3.15Å; E327-T331 WeakPolarHBondContact O-CG2 3.49Å; E327-T331 PolarHBondContact O-N 3.36Å; E327-T331 PolarHBondContact O-OG1 3.49Å
328S98.4Very high98.6Very high67 Ų67100.3 Ų100.347%0.46950%0.504SS..Hα-helixtrans-56.4-49.1177.5-168.20000111.9K324 S330 T331 E332K324-S328 VanDerWaalsContact O-CB 3.32Å; K324-S328 WeakPolarHBondContact O-CB 3.29Å; K324-S328 PolarHBondContact O-N 3.44Å; S328-S330 VanDerWaalsContact C-N 3.33Å; S328-S330 PolarHBondContact O-N 3.46Å; S328-T331 PolarHBondContact O-N 2.93Å; S328-T331 PolarHBondContact O-OG1 3.3Å; S328-E332 PolarHBondContact O-N 3.24Å
329C98.4Very high98.6Very high76 Ų7698.2 Ų98.251%0.51450%0.498SS..Hα-helixtrans-61.3-39.9177.5-175.90000112K325 V326 E327 E332 N333K325-C329 VanDerWaalsContact O-CB 3.26Å; K325-C329 WeakPolarHBondContact O-CB 3.47Å; K325-C329 PolarHBondContact O-N 3.45Å; V326-C329 PolarHBondContact O-N 3.24Å; E327-C329 PolarHBondContact O-N 2.89Å; C329-E332 PolarHBondContact O-N 2.9Å; C329-N333 VanDerWaalsContact O-CB 3.31Å; C329-N333 WeakPolarHBondContact O-CB 3.3Å; C329-N333 PolarHBondContact O-N 3.13Å
330S98.6Very high98.6Very high76 Ų7698.1 Ų98.153%0.53150%0.502SS..Hα-helixtrans-63.5-45.3175.8-172.30000112V326 E327 S328 N333 L334V326-S330 VanDerWaalsContact O-CB 3.3Å; V326-S330 WeakPolarHBondContact O-CB 3.32Å; V326-S330 PolarHBondContact O-N 3.22Å; E327-S330 WeakPolarHBondContact O-CB 3.41Å; E327-S330 PolarHBondContact O-N 2.9Å; E327-S330 VanDerWaalsContact O-N 3.15Å; S328-S330 VanDerWaalsContact C-N 3.33Å; S328-S330 PolarHBondContact O-N 3.46Å; S330-N333 PolarHBondContact O-N 2.94Å; S330-L334 WeakPolarHBondContact O-CB 3.43Å; S330-L334 PolarHBondContact O-N 3.09Å
331T98.6Very high98.6Very high77 Ų77101.3 Ų101.347%0.47252%0.515SS..Hα-helixtrans-63.9-41.6176.759.60000112.5E327 S328 L334 E335E327-T331 WeakPolarHBondContact O-CG2 3.49Å; E327-T331 PolarHBondContact O-N 3.36Å; E327-T331 PolarHBondContact O-OG1 3.49Å; S328-T331 PolarHBondContact O-N 2.93Å; S328-T331 PolarHBondContact O-OG1 3.3Å; T331-L334 PolarHBondContact O-N 2.83Å; T331-E335 PolarHBondContact O-N 2.89Å
332E98.6Very high98.6Very high117 Ų117102.5 Ų102.555%0.54752%0.519SS..Hα-helixtrans-63.9-43.5174.4-175.1178.3-178.300111.5S328 C329 L334 E335 L336S328-E332 PolarHBondContact O-N 3.24Å; C329-E332 PolarHBondContact O-N 2.9Å; E332-L334 VanDerWaalsContact C-N 3.33Å; E332-L334 PolarHBondContact O-N 2.98Å; E332-E335 PolarHBondContact O-N 3.41Å; E332-L336 HydrophobicContact CG-CD1 4.09Å; E332-L336 HydrophobicContact CG-CG 4.47Å; E332-L336 WeakPolarHBondContact O-CB 3.3Å; E332-L336 VanDerWaalsContact O-CG 3.32Å; E332-L336 WeakPolarHBondContact O-CG 3.47Å; E332-L336 PolarHBondContact O-N 2.92Å
333N98.4Very high98.6Very high68 Ų68104.9 Ų104.936%0.36453%0.532SS..Hα-helixtrans-62.6-40.2177.1-156.4-92.4000111.7C329 S330 L336 R337C329-N333 VanDerWaalsContact O-CB 3.31Å; C329-N333 WeakPolarHBondContact O-CB 3.3Å; C329-N333 PolarHBondContact O-N 3.13Å; S330-N333 PolarHBondContact O-N 2.94Å; N333-L336 PolarHBondContact O-N 3.26Å; N333-R337 VanDerWaalsContact O-CG 3.32Å; N333-R337 WeakPolarHBondContact O-CG 3.31Å; N333-R337 PolarHBondContact O-N 2.85Å; N333-R337 VanDerWaalsContact OD1-CZ 3.26Å; N333-R337 PolarHBondContact OD1-NE 2.8Å; N333-R337 PolarHBondContact OD1-NH2 3.28Å
334L98.6Very high98.6Very high92 Ų92103.5 Ų103.548%0.48253%0.525SS..Hα-helixtrans-64.7-40.8174.3179.261.5000112.2S330 T331 E332 K338S330-L334 WeakPolarHBondContact O-CB 3.43Å; S330-L334 PolarHBondContact O-N 3.09Å; T331-L334 PolarHBondContact O-N 2.83Å; E332-L334 VanDerWaalsContact C-N 3.33Å; E332-L334 PolarHBondContact O-N 2.98Å; L334-K338 HydrophobicContact CG-CD 4.44Å; L334-K338 WeakPolarHBondContact O-CG 3.44Å; L334-K338 PolarHBondContact O-N 3.4Å; L334-K338 VanDerWaalsContact O-N 3.09Å
335E98.6Very high98.6Very high104 Ų104101.1 Ų101.149%0.48652%0.519SS..Hα-helixtrans-63.6-43.4172.5-83.3-162.2-159.500112.6T331 E332 K338 K339T331-E335 PolarHBondContact O-N 2.89Å; E332-E335 PolarHBondContact O-N 3.41Å; E335-K338 PolarHBondContact O-N 2.99Å; E335-K339 WeakPolarHBondContact O-CB 3.23Å; E335-K339 WeakPolarHBondContact O-CD 3.42Å; E335-K339 VanDerWaalsContact O-CG 3.23Å; E335-K339 WeakPolarHBondContact O-CG 3.32Å; E335-K339 PolarHBondContact O-N 2.67Å; E335-K339 WeakPolarHBondContact OE2-CE 3.33Å; E335-K339 IonicContact OE2-NZ 3.23Å; E335-K339 PolarHBondContact OE2-NZ 3.04Å
336L98.7Very high98.6Very high83 Ų8397.1 Ų97.144%0.43551%0.508SS..Hα-helixtrans-63.6-41.9178.2-71.5170.1000111.2E332 N333 K338 K339 V340E332-L336 HydrophobicContact CG-CD1 4.09Å; E332-L336 HydrophobicContact CG-CG 4.47Å; E332-L336 WeakPolarHBondContact O-CB 3.3Å; E332-L336 VanDerWaalsContact O-CG 3.32Å; E332-L336 WeakPolarHBondContact O-CG 3.47Å; E332-L336 PolarHBondContact O-N 2.92Å; N333-L336 PolarHBondContact O-N 3.26Å; L336-K338 PolarHBondContact O-N 3.23Å; L336-K339 HydrophobicContact CD2-CD 4.46Å; L336-K339 PolarHBondContact O-N 2.8Å; L336-V340 WeakPolarHBondContact O-CG2 3.46Å; L336-V340 PolarHBondContact O-N 3.41Å
337R98.6Very high98.6Very high169 Ų16996.4 Ų96.464%0.63850%0.501SS*.Hα-helixtrans-59-46.2172.5-71.3176.8-159.2-156.55.6112.1N333 K339 V340 E341N333-R337 VanDerWaalsContact O-CG 3.32Å; N333-R337 WeakPolarHBondContact O-CG 3.31Å; N333-R337 PolarHBondContact O-N 2.85Å; N333-R337 VanDerWaalsContact OD1-CZ 3.26Å; N333-R337 PolarHBondContact OD1-NE 2.8Å; N333-R337 PolarHBondContact OD1-NH2 3.28Å; R337-K339 VanDerWaalsContact C-N 3.34Å; R337-K339 PolarHBondContact O-N 3.41Å; R337-V340 PolarHBondContact O-N 3.35Å; R337-E341 WeakPolarHBondContact O-CB 3.4Å; R337-E341 PolarHBondContact O-N 3.29Å
338K98.7Very high98.5Very high112 Ų11296.7 Ų96.749%0.48750%0.496SS..Hα-helixtrans-61.6-39.9175.4-71.5167.4-179.2172.80112.4L334 E335 L336 E341 V342L334-K338 HydrophobicContact CG-CD 4.44Å; L334-K338 WeakPolarHBondContact O-CG 3.44Å; L334-K338 PolarHBondContact O-N 3.4Å; L334-K338 VanDerWaalsContact O-N 3.09Å; E335-K338 PolarHBondContact O-N 2.99Å; L336-K338 PolarHBondContact O-N 3.23Å; K338-E341 PolarHBondContact O-N 3.12Å; K338-V342 WeakPolarHBondContact O-CG2 3.42Å; K338-V342 PolarHBondContact O-N 2.89Å
339K98.6Very high98.5Very high102 Ų10296.3 Ų96.344%0.44349%0.491SS..Hα-helixtrans-64.1-42.2175.6-70.4159.3-168.31660110.9E335 L336 R337 L343E335-K339 WeakPolarHBondContact O-CB 3.23Å; E335-K339 WeakPolarHBondContact O-CD 3.42Å; E335-K339 VanDerWaalsContact O-CG 3.23Å; E335-K339 WeakPolarHBondContact O-CG 3.32Å; E335-K339 PolarHBondContact O-N 2.67Å; E335-K339 WeakPolarHBondContact OE2-CE 3.33Å; E335-K339 IonicContact OE2-NZ 3.23Å; E335-K339 PolarHBondContact OE2-NZ 3.04Å; L336-K339 HydrophobicContact CD2-CD 4.46Å; L336-K339 PolarHBondContact O-N 2.8Å; R337-K339 VanDerWaalsContact C-N 3.34Å; R337-K339 PolarHBondContact O-N 3.41Å; K339-L343 WeakPolarHBondContact O-CB 3.22Å; K339-L343 VanDerWaalsContact O-CG 3.24Å; K339-L343 WeakPolarHBondContact O-CG 3.33Å; K339-L343 PolarHBondContact O-N 3.42Å
340V98.8Very high98.5Very high78 Ų7897.2 Ų97.247%0.47349%0.49SS..Hα-helixtrans-62.9-48.1173.5171.20000111.4L336 R337 V342 L343 E344L336-V340 WeakPolarHBondContact O-CG2 3.46Å; L336-V340 PolarHBondContact O-N 3.41Å; R337-V340 PolarHBondContact O-N 3.35Å; V340-V342 VanDerWaalsContact C-N 3.34Å; V340-V342 PolarHBondContact O-N 2.9Å; V340-L343 CarbonylContact O-C 3.46Å; V340-L343 PolarHBondContact O-N 3.36Å; V340-L343 VanDerWaalsContact O-N 3.11Å; V340-E344 HydrophobicContact CG1-CG 4.27Å; V340-E344 WeakPolarHBondContact O-CG 3.07Å; V340-E344 PolarHBondContact O-N 2.88Å
341E98.6Very high98.5Very high127 Ų12797.8 Ų97.859%0.59349%0.487SS*.Hα-helixtrans-56.2-44.9178.2-175.1-173.9176.700112.4R337 K338 E344 N345R337-E341 WeakPolarHBondContact O-CB 3.4Å; R337-E341 PolarHBondContact O-N 3.29Å; K338-E341 PolarHBondContact O-N 3.12Å; E341-E344 PolarHBondContact O-N 2.85Å; E341-N345 WeakPolarHBondContact O-CB 3.39Å; E341-N345 PolarHBondContact O-N 3.47Å
342V98.6Very high98.5Very high90 Ų9098.7 Ų98.755%0.54549%0.486SS..Hα-helixtrans-65.5-40.5175.9170.70000111.8K338 V340 N345 T346K338-V342 WeakPolarHBondContact O-CG2 3.42Å; K338-V342 PolarHBondContact O-N 2.89Å; V340-V342 VanDerWaalsContact C-N 3.34Å; V340-V342 PolarHBondContact O-N 2.9Å; V342-N345 PolarHBondContact O-N 2.92Å; V342-T346 WeakPolarHBondContact O-CG2 3.26Å; V342-T346 PolarHBondContact O-N 2.99Å; V342-T346 PolarHBondContact O-OG1 3.31Å
343L98.7Very high98.4Very high117 Ų11797.9 Ų97.961%0.61348%0.482SS*.Hα-helixtrans-67.2-39.9176.1-73.3170.5000112K339 V340 T346 N347K339-L343 WeakPolarHBondContact O-CB 3.22Å; K339-L343 VanDerWaalsContact O-CG 3.24Å; K339-L343 WeakPolarHBondContact O-CG 3.33Å; K339-L343 PolarHBondContact O-N 3.42Å; V340-L343 CarbonylContact O-C 3.46Å; V340-L343 PolarHBondContact O-N 3.36Å; V340-L343 VanDerWaalsContact O-N 3.11Å; L343-T346 WeakPolarHBondContact CA-OG1 3.34Å; L343-T346 PolarHBondContact O-OG1 2.87Å; L343-N347 WeakPolarHBondContact O-CB 3.29Å; L343-N347 PolarHBondContact O-N 3.46Å
344E98.5Very high98.3Very high86 Ų8699.8 Ų99.840%0.40249%0.491SS..Hα-helixtrans-63.6-44173-72.2-174.5-175.400111.7V340 E341 N347 R348V340-E344 HydrophobicContact CG1-CG 4.27Å; V340-E344 WeakPolarHBondContact O-CG 3.07Å; V340-E344 PolarHBondContact O-N 2.88Å; E341-E344 PolarHBondContact O-N 2.85Å; E344-N347 PolarHBondContact O-N 2.91Å; E344-R348 WeakPolarHBondContact O-CB 3.41Å; E344-R348 VanDerWaalsContact O-CG 3.23Å; E344-R348 WeakPolarHBondContact O-CG 3.47Å; E344-R348 PolarHBondContact O-N 3.33Å; E344-R348 IonicContact OE2-CZ 3.19Å; E344-R348 IonicContact OE2-NH1 2.9Å; E344-R348 PolarHBondContact OE2-NH1 2.91Å; E344-R348 IonicContact OE2-NH2 2.68Å; E344-R348 PolarHBondContact OE2-NH2 3.11Å
345N98.5Very high98.2Very high99 Ų99101 Ų10153%0.52950%0.495SS..Hα-helixtrans-65.7-40.5-179.8-171.532.3000112.3E341 V342 T349E341-N345 WeakPolarHBondContact O-CB 3.39Å; E341-N345 PolarHBondContact O-N 3.47Å; V342-N345 PolarHBondContact O-N 2.92Å; N345-T349 WeakPolarHBondContact O-CB 3.45Å; N345-T349 PolarHBondContact O-N 2.89Å; N345-T349 PolarHBondContact O-OG1 3.04Å
346T98.3Very high98Very high66 Ų66101.8 Ų101.841%0.40550%0.496SS..Hα-helixtrans-67.3-40.1173.650.30000111.7V342 L343 T349 L350V342-T346 WeakPolarHBondContact O-CG2 3.26Å; V342-T346 PolarHBondContact O-N 2.99Å; V342-T346 PolarHBondContact O-OG1 3.31Å; L343-T346 WeakPolarHBondContact CA-OG1 3.34Å; L343-T346 PolarHBondContact O-OG1 2.87Å; T346-T349 WeakPolarHBondContact O-CB 3.5Å; T346-T349 PolarHBondContact O-N 3.13Å; T346-L350 WeakPolarHBondContact O-CG 3.2Å; T346-L350 PolarHBondContact O-N 2.97Å
347N98.3Very high97.9Very high91 Ų91102.9 Ų102.949%0.48750%0.502SS..Hα-helixtrans-62.6-49.2174.4-168.5-33000111.9L343 E344 T349 L350 L351L343-N347 WeakPolarHBondContact O-CB 3.29Å; L343-N347 PolarHBondContact O-N 3.46Å; E344-N347 PolarHBondContact O-N 2.91Å; N347-T349 PolarHBondContact O-N 3.3Å; N347-L350 PolarHBondContact O-N 2.7Å; N347-L350 VanDerWaalsContact O-N 3.12Å; N347-L351 WeakPolarHBondContact O-CG 3.5Å; N347-L351 PolarHBondContact O-N 3.42Å; N347-L351 VanDerWaalsContact OD1-CD1 3.31Å; N347-L351 WeakPolarHBondContact OD1-CD1 3.42Å
348R98.4Very high97.6Very high134 Ų134100.4 Ų100.451%0.50650%0.498SS..Hα-helixtrans-52.2-43.5171.8-73.5169.3-177.6124.811.6111.7E344 Q352E344-R348 WeakPolarHBondContact O-CB 3.41Å; E344-R348 VanDerWaalsContact O-CG 3.23Å; E344-R348 WeakPolarHBondContact O-CG 3.47Å; E344-R348 PolarHBondContact O-N 3.33Å; E344-R348 IonicContact OE2-CZ 3.19Å; E344-R348 IonicContact OE2-NH1 2.9Å; E344-R348 PolarHBondContact OE2-NH1 2.91Å; E344-R348 IonicContact OE2-NH2 2.68Å; E344-R348 PolarHBondContact OE2-NH2 3.11Å; R348-Q352 WeakPolarHBondContact O-CG 3.47Å; R348-Q352 PolarHBondContact O-N 2.95Å
349T98.3Very high97.2Very high58 Ų5899.6 Ų99.636%0.35650%0.503SS..Hα-helixtrans-65.8-44.4177.7-59.80000112.2N345 T346 N347 Q352 Q353N345-T349 WeakPolarHBondContact O-CB 3.45Å; N345-T349 PolarHBondContact O-N 2.89Å; N345-T349 PolarHBondContact O-OG1 3.04Å; T346-T349 WeakPolarHBondContact O-CB 3.5Å; T346-T349 PolarHBondContact O-N 3.13Å; N347-T349 PolarHBondContact O-N 3.3Å; T349-Q352 PolarHBondContact O-N 3.4Å; T349-Q353 WeakPolarHBondContact O-CG 3.41Å; T349-Q353 PolarHBondContact O-N 2.95Å
350L98.4Very high96.8Very high96 Ų9699.7 Ų99.750%0.50351%0.507SS..Hα-helixtrans-65.5-41177.4-71.6169000111.7T346 N347 Q352 Q353 L354T346-L350 WeakPolarHBondContact O-CG 3.2Å; T346-L350 PolarHBondContact O-N 2.97Å; N347-L350 PolarHBondContact O-N 2.7Å; N347-L350 VanDerWaalsContact O-N 3.12Å; L350-Q352 PolarHBondContact O-N 3.43Å; L350-Q353 WeakPolarHBondContact O-CB 3.43Å; L350-Q353 PolarHBondContact O-N 3.43Å; L350-Q353 VanDerWaalsContact O-N 3.15Å; L350-L354 WeakPolarHBondContact O-CG 3.3Å; L350-L354 PolarHBondContact O-N 3.37Å
351L98.1Very high96.3Very high87 Ų87100.2 Ų100.246%0.45551%0.51SS..Hα-helixtrans-61-43.1173.5-71.6172000111.7N347 Q353 L354 Q355N347-L351 WeakPolarHBondContact O-CG 3.5Å; N347-L351 PolarHBondContact O-N 3.42Å; N347-L351 VanDerWaalsContact OD1-CD1 3.31Å; N347-L351 WeakPolarHBondContact OD1-CD1 3.42Å; L351-Q353 VanDerWaalsContact C-N 3.32Å; L351-Q353 PolarHBondContact O-N 3.15Å; L351-L354 PolarHBondContact O-N 2.69Å; L351-Q355 WeakPolarHBondContact O-CG 3.44Å; L351-Q355 PolarHBondContact O-N 3.31Å
352Q97.6Very high95.2Very high97 Ų9799.1 Ų99.145%0.45351%0.506SS..Hα-helixtrans-62.5-37.2173-73.1179.621.700112.6R348 T349 L350 K356R348-Q352 WeakPolarHBondContact O-CG 3.47Å; R348-Q352 PolarHBondContact O-N 2.95Å; T349-Q352 PolarHBondContact O-N 3.4Å; L350-Q352 PolarHBondContact O-N 3.43Å; Q352-K356 WeakPolarHBondContact O-CB 3.44Å; Q352-K356 WeakPolarHBondContact O-CD 3.12Å; Q352-K356 WeakPolarHBondContact O-CG 3.19Å; Q352-K356 PolarHBondContact O-N 3.42Å
353Q97.4Very high93.5Very high100 Ų10097.4 Ų97.447%0.46751%0.507SS..Hα-helixtrans-66.3-44.8174.4-72.11786.500111.2T349 L350 L351 Q355 K356 L357T349-Q353 WeakPolarHBondContact O-CG 3.41Å; T349-Q353 PolarHBondContact O-N 2.95Å; L350-Q353 WeakPolarHBondContact O-CB 3.43Å; L350-Q353 PolarHBondContact O-N 3.43Å; L350-Q353 VanDerWaalsContact O-N 3.15Å; L351-Q353 VanDerWaalsContact C-N 3.32Å; L351-Q353 PolarHBondContact O-N 3.15Å; Q353-Q355 PolarHBondContact O-N 3.16Å; Q353-K356 WeakPolarHBondContact O-CB 3.49Å; Q353-K356 PolarHBondContact O-N 3.26Å; Q353-L357 VanDerWaalsContact O-CD1 3.28Å; Q353-L357 WeakPolarHBondContact O-CD1 3.43Å; Q353-L357 PolarHBondContact O-N 3.13Å
354L97Very high91.6Very high107 Ų10799.4 Ų99.456%0.5651%0.511SS*.Hα-helixtrans-60.6-42.3176-71.9171.4000112L350 L351 K356 L357 Q358L350-L354 WeakPolarHBondContact O-CG 3.3Å; L350-L354 PolarHBondContact O-N 3.37Å; L351-L354 PolarHBondContact O-N 2.69Å; L354-K356 PolarHBondContact O-N 2.9Å; L354-L357 PolarHBondContact O-N 3.24Å; L354-Q358 VanDerWaalsContact O-CB 3.27Å; L354-Q358 WeakPolarHBondContact O-CB 3.48Å; L354-Q358 PolarHBondContact O-N 2.89Å
355Q95.6Very high89.5Confident119 Ų11999 Ų9956%0.55652%0.515SS*.Hα-helixtrans-63-39.6173.8-72.6172.5-8.900112.5L351 Q353 Q358 T359L351-Q355 WeakPolarHBondContact O-CG 3.44Å; L351-Q355 PolarHBondContact O-N 3.31Å; Q353-Q355 PolarHBondContact O-N 3.16Å; Q355-Q358 PolarHBondContact O-N 2.92Å; Q355-T359 WeakPolarHBondContact O-CB 3.38Å; Q355-T359 WeakPolarHBondContact O-CG2 3.22Å; Q355-T359 PolarHBondContact O-N 3.33Å; Q355-T359 PolarHBondContact O-OG1 2.67Å
356K95.3Very high87.3Confident119 Ų11998.8 Ų98.852%0.51752%0.52SS..Hα-helixtrans-65.5-40.1174.1-72.5162.7-172.5167.60111.8Q352 Q353 L354 T359 L360Q352-K356 WeakPolarHBondContact O-CB 3.44Å; Q352-K356 WeakPolarHBondContact O-CD 3.12Å; Q352-K356 WeakPolarHBondContact O-CG 3.19Å; Q352-K356 PolarHBondContact O-N 3.42Å; Q353-K356 WeakPolarHBondContact O-CB 3.49Å; Q353-K356 PolarHBondContact O-N 3.26Å; L354-K356 PolarHBondContact O-N 2.9Å; K356-T359 PolarHBondContact O-OG1 2.78Å; K356-T359 VanDerWaalsContact O-OG1 3.07Å; K356-L360 WeakPolarHBondContact O-CB 3.5Å; K356-L360 WeakPolarHBondContact O-CD1 3.23Å; K356-L360 WeakPolarHBondContact O-CG 3.46Å; K356-L360 PolarHBondContact O-N 3.41Å; K356-L360 VanDerWaalsContact O-N 3.12Å
357L94.9Very high84.9Confident107 Ų107106.8 Ų106.856%0.5654%0.543SS*.Hα-helixtrans-67.5-45.6173.8-93.270.8000111.6Q353 L354 T359 L360 V361Q353-L357 VanDerWaalsContact O-CD1 3.28Å; Q353-L357 WeakPolarHBondContact O-CD1 3.43Å; Q353-L357 PolarHBondContact O-N 3.13Å; L354-L357 PolarHBondContact O-N 3.24Å; L357-T359 PolarHBondContact O-N 3.34Å; L357-L360 PolarHBondContact O-N 3.06Å; L357-V361 WeakPolarHBondContact O-CB 3.44Å; L357-V361 WeakPolarHBondContact O-CG2 3.34Å; L357-V361 PolarHBondContact O-N 3.12Å
358Q92.6Very high82.5Confident117 Ų117108.3 Ų108.355%0.54756%0.556SS.*Hα-helixtrans-59.8-45.8179.4179.3176.90.400111.6L354 Q355 V361 M362L354-Q358 VanDerWaalsContact O-CB 3.27Å; L354-Q358 WeakPolarHBondContact O-CB 3.48Å; L354-Q358 PolarHBondContact O-N 2.89Å; Q355-Q358 PolarHBondContact O-N 2.92Å; Q358-V361 PolarHBondContact O-N 2.87Å; Q358-M362 HydrophobicContact CG-CG 4.33Å; Q358-M362 HydrophobicContact CG-SD 3.55Å; Q358-M362 VanDerWaalsContact CG-SD 3.55Å; Q358-M362 VanDerWaalsContact O-CB 3.32Å; Q358-M362 WeakPolarHBondContact O-CB 3.5Å; Q358-M362 VanDerWaalsContact O-CG 3.31Å; Q358-M362 WeakPolarHBondContact O-CG 3.44Å; Q358-M362 PolarHBondContact O-N 3.42Å
359T90.1Very high79.9Confident95 Ų95107.4 Ų107.458%0.58357%0.569SS**Hα-helixtrans-65.2-39.317647.60000112.5Q355 K356 L357 G363Q355-T359 WeakPolarHBondContact O-CB 3.38Å; Q355-T359 WeakPolarHBondContact O-CG2 3.22Å; Q355-T359 PolarHBondContact O-N 3.33Å; Q355-T359 PolarHBondContact O-OG1 2.67Å; K356-T359 PolarHBondContact O-OG1 2.78Å; K356-T359 VanDerWaalsContact O-OG1 3.07Å; L357-T359 PolarHBondContact O-N 3.34Å; T359-G363 PolarHBondContact O-N 3.37Å
360L91.1Very high77.5Confident103 Ų103113.9 Ų113.954%0.53959%0.592SS.*Hα-helixtrans-66.4-34.7173.9-75.1170.5000113.6K356 L357 K364K356-L360 WeakPolarHBondContact O-CB 3.5Å; K356-L360 WeakPolarHBondContact O-CD1 3.23Å; K356-L360 WeakPolarHBondContact O-CG 3.46Å; K356-L360 PolarHBondContact O-N 3.41Å; K356-L360 VanDerWaalsContact O-N 3.12Å; L357-L360 PolarHBondContact O-N 3.06Å; L360-K364 WeakPolarHBondContact O-CD 3.4Å; L360-K364 VanDerWaalsContact O-CG 3.27Å; L360-K364 WeakPolarHBondContact O-CG 3.43Å; L360-K364 PolarHBondContact O-N 2.82Å
361V87.9Confident75.3Confident89 Ų89117.7 Ų117.754%0.53961%0.612SS.*Hα-helixtrans-76.5-51.5177.5170.70000110.5L357 Q358 G363 K364 V365L357-V361 WeakPolarHBondContact O-CB 3.44Å; L357-V361 WeakPolarHBondContact O-CG2 3.34Å; L357-V361 PolarHBondContact O-N 3.12Å; Q358-V361 PolarHBondContact O-N 2.87Å; V361-G363 VanDerWaalsContact C-N 3.32Å; V361-G363 PolarHBondContact O-N 3.43Å; V361-K364 PolarHBondContact O-N 3.01Å; V361-V365 HydrophobicContact CG1-CG2 4.11Å; V361-V365 WeakPolarHBondContact O-CG2 3.49Å; V361-V365 PolarHBondContact O-N 3.34Å
362M75.6Confident72.8Confident104 Ų104118.1 Ų118.151%0.51263%0.628SS.*Hα-helixtrans-57-46.6176.6-71.6172.160.800110.9Q358 K364 V365 S366Q358-M362 HydrophobicContact CG-CG 4.33Å; Q358-M362 HydrophobicContact CG-SD 3.55Å; Q358-M362 VanDerWaalsContact CG-SD 3.55Å; Q358-M362 VanDerWaalsContact O-CB 3.32Å; Q358-M362 WeakPolarHBondContact O-CB 3.5Å; Q358-M362 VanDerWaalsContact O-CG 3.31Å; Q358-M362 WeakPolarHBondContact O-CG 3.44Å; Q358-M362 PolarHBondContact O-N 3.42Å; M362-K364 PolarHBondContact O-N 3.32Å; M362-K364 VanDerWaalsContact O-N 3.11Å; M362-V365 PolarHBondContact O-N 2.89Å; M362-S366 WeakPolarHBondContact O-CB 3.5Å; M362-S366 PolarHBondContact O-N 3.03Å; M362-S366 PolarHBondContact O-OG 3.31Å
363G62.4Low70.7Confident55 Ų55117.3 Ų117.357%0.56765%0.646SS**Hα-helixtrans-60.4-20.7176.800000115.1T359 V361T359-G363 PolarHBondContact O-N 3.37Å; V361-G363 VanDerWaalsContact C-N 3.32Å; V361-G363 PolarHBondContact O-N 3.43Å
364K59.4Low68.6Low158 Ų158118.4 Ų118.469%0.68766%0.66SS**Hα-helixtrans-96.7-31175.6-72.6172.3-175.9171.40113.4L360 V361 M362L360-K364 WeakPolarHBondContact O-CD 3.4Å; L360-K364 VanDerWaalsContact O-CG 3.27Å; L360-K364 WeakPolarHBondContact O-CG 3.43Å; L360-K364 PolarHBondContact O-N 2.82Å; V361-K364 PolarHBondContact O-N 3.01Å; M362-K364 PolarHBondContact O-N 3.32Å; M362-K364 VanDerWaalsContact O-N 3.11Å
365V55.1Low66.8Low79 Ų79120.4 Ų120.448%0.47967%0.666SS.*Hα-helixtrans-83.7-29.9-177.2175.30000112.7V361 M362 R367 T368V361-V365 HydrophobicContact CG1-CG2 4.11Å; V361-V365 WeakPolarHBondContact O-CG2 3.49Å; V361-V365 PolarHBondContact O-N 3.34Å; M362-V365 PolarHBondContact O-N 2.89Å; V365-R367 PolarHBondContact O-N 2.98Å; V365-T368 PolarHBondContact O-N 3.19Å
366S51.6Low64.9Low93 Ų93119.7 Ų119.765%0.6567%0.67SS**THydrogen-bonded Turntrans-65.92.8-175.7-63.90000116.7M362M362-S366 WeakPolarHBondContact O-CB 3.5Å; M362-S366 PolarHBondContact O-N 3.03Å; M362-S366 PolarHBondContact O-OG 3.31Å
367R48.5Very low63.7Low234 Ų234116.3 Ų116.388%0.88367%0.669SS**THydrogen-bonded Turntrans-111.5-6.9179.9-69.5-166.5-178-169.62.5116V365V365-R367 PolarHBondContact O-N 2.98Å
368T46.3Very low62.7Low124 Ų124114.8 Ų114.876%0.76166%0.664SS**THydrogen-bonded Turntrans-120.7-21.8-179.252.70000114.5V365 K370V365-T368 PolarHBondContact O-N 3.19Å; T368-K370 PolarHBondContact O-N 2.66Å
369C45.2Very low61.6Low115 Ų115113.1 Ų113.178%0.77766%0.664SS**SBendtrans-100.257.9178.2-160.80000112.5
370K47.8Very low61.3Low193 Ų193113.8 Ų113.884%0.83966%0.664SS**SBendtrans-136.6126168.5-159166.2-172.2173.60107.9T368T368-K370 PolarHBondContact O-N 2.66Å
371L51.3Low60.9Low176 Ų176115.1 Ų115.192%0.92167%0.669SS**SBendtrans82.873-172.4-161.171.7000116.7
372A45.2Very low60.8Low96 Ų96115.3 Ų115.379%0.79367%0.67SS**  trans-151.252.3158.100000110.6T374A372-T374 PolarHBondContact O-N 2.86Å
373G54.4Low61.4Low80 Ų80113.7 Ų113.783%0.82567%0.666SS**  trans-83.363.3-164.800000116.4
374T54.2Low62.6Low123 Ų123115.8 Ų115.876%0.75567%0.667SS**SBendtrans-148.8165.8166.943.20000111.9A372 T376A372-T374 PolarHBondContact O-N 2.86Å; T374-T376 PolarHBondContact O-N 3.04Å
375Q57.7Low63.8Low150 Ų150113.3 Ų113.370%0.70166%0.661SS**  trans75-5.3167.6-144.6178.111.400120G377 T378 C379Q375-G377 VanDerWaalsContact C-N 3.32Å; Q375-G377 PolarHBondContact O-N 2.96Å; Q375-T378 WeakPolarHBondContact CG-OG1 3.31Å; Q375-T378 WeakPolarHBondContact O-CB 3.22Å; Q375-T378 PolarHBondContact O-N 2.99Å; Q375-T378 VanDerWaalsContact O-N 3.09Å; Q375-T378 PolarHBondContact O-OG1 3.38Å; Q375-C379 PolarHBondContact O-N 3.03Å
376T57.1Low65.2Low104 Ų104113.6 Ų113.664%0.63867%0.665SS**Hα-helixtrans-58-41.8174.5-44.40000113T374 T378 C379 L380T374-T376 PolarHBondContact O-N 3.04Å; T376-T378 PolarHBondContact O-N 2.86Å; T376-C379 WeakPolarHBondContact O-CB 3.4Å; T376-C379 PolarHBondContact O-N 3.4Å; T376-C379 VanDerWaalsContact O-N 3.16Å; T376-L380 PolarHBondContact O-N 3.17Å; T376-L380 VanDerWaalsContact O-N 3.17Å
377G69.2Low66.9Low47 Ų47115.2 Ų115.249%0.48566%0.661SS.*Hα-helixtrans-62-28.717800000113.4Q375 M381Q375-G377 VanDerWaalsContact C-N 3.32Å; Q375-G377 PolarHBondContact O-N 2.96Å; G377-M381 WeakPolarHBondContact O-CB 3.33Å; G377-M381 VanDerWaalsContact O-CG 3.29Å; G377-M381 WeakPolarHBondContact O-CG 3.22Å; G377-M381 PolarHBondContact O-N 3.15Å
378T73.3Confident68.6Low75 Ų75107 Ų10746%0.4664%0.643SS.*Hα-helixtrans-72.9-35.4177.2-26.50000111.4Q375 T376 V382Q375-T378 WeakPolarHBondContact CG-OG1 3.31Å; Q375-T378 WeakPolarHBondContact O-CB 3.22Å; Q375-T378 PolarHBondContact O-N 2.99Å; Q375-T378 VanDerWaalsContact O-N 3.09Å; Q375-T378 PolarHBondContact O-OG1 3.38Å; T376-T378 PolarHBondContact O-N 2.86Å; T378-V382 VanDerWaalsContact O-CG2 3.32Å; T378-V382 WeakPolarHBondContact O-CG2 3.43Å; T378-V382 PolarHBondContact O-N 3.06Å
379C70.1Confident70.4Confident82 Ų82105.3 Ų105.355%0.55463%0.632SS**Hα-helixtrans-64.4-47172.3-177.20000111.3Q375 T376 M381 V382 V383Q375-C379 PolarHBondContact O-N 3.03Å; T376-C379 WeakPolarHBondContact O-CB 3.4Å; T376-C379 PolarHBondContact O-N 3.4Å; T376-C379 VanDerWaalsContact O-N 3.16Å; C379-M381 PolarHBondContact O-N 3.36Å; C379-V382 PolarHBondContact O-N 2.84Å; C379-V382 VanDerWaalsContact O-N 3.14Å; C379-V383 PolarHBondContact O-N 3.35Å
380L84.6Confident72.1Confident109 Ų109101.8 Ų101.857%0.57161%0.612SS**Hα-helixtrans-62.4-41.5176.7-64.1175.4000112.1T376 V382 V383 V384T376-L380 PolarHBondContact O-N 3.17Å; T376-L380 VanDerWaalsContact O-N 3.17Å; L380-V382 VanDerWaalsContact C-N 3.33Å; L380-V382 PolarHBondContact O-N 3.29Å; L380-V383 PolarHBondContact O-N 3.37Å; L380-V384 WeakPolarHBondContact O-CG2 3.44Å; L380-V384 PolarHBondContact O-N 3.26Å
381M82.3Confident73.5Confident131 Ų13198.2 Ų98.265%0.64560%0.596SS**Hα-helixtrans-56.9-42.7171.6-83-69.2-61.700112.6G377 C379 L385G377-M381 WeakPolarHBondContact O-CB 3.33Å; G377-M381 VanDerWaalsContact O-CG 3.29Å; G377-M381 WeakPolarHBondContact O-CG 3.22Å; G377-M381 PolarHBondContact O-N 3.15Å; C379-M381 PolarHBondContact O-N 3.36Å; M381-L385 WeakPolarHBondContact O-CB 3.31Å; M381-L385 PolarHBondContact O-N 2.85Å
382V85.8Confident74.4Confident93 Ų9391.5 Ų91.556%0.56457%0.57SS**Hα-helixtrans-66.6-39.6177.9167.90000111.5T378 C379 L380 C386T378-V382 VanDerWaalsContact O-CG2 3.32Å; T378-V382 WeakPolarHBondContact O-CG2 3.43Å; T378-V382 PolarHBondContact O-N 3.06Å; C379-V382 PolarHBondContact O-N 2.84Å; C379-V382 VanDerWaalsContact O-N 3.14Å; L380-V382 VanDerWaalsContact C-N 3.33Å; L380-V382 PolarHBondContact O-N 3.29Å; V382-C386 VanDerWaalsContact O-CB 3.28Å; V382-C386 WeakPolarHBondContact O-CB 3.5Å; V382-C386 PolarHBondContact O-N 3.21Å
383V87.3Confident75.4Confident71 Ų7190.9 Ų90.943%0.4356%0.559SS.*Hα-helixtrans-64.5-50174.91750000110.9C379 L380 L385 C386 F387C379-V383 PolarHBondContact O-N 3.35Å; L380-V383 PolarHBondContact O-N 3.37Å; V383-L385 VanDerWaalsContact C-N 3.33Å; V383-L385 PolarHBondContact O-N 3.05Å; V383-C386 WeakPolarHBondContact O-CB 3.4Å; V383-C386 PolarHBondContact O-N 2.8Å; V383-C386 VanDerWaalsContact O-N 3.13Å; V383-F387 HydrophobicContact CG1-CD2 4Å; V383-F387 HydrophobicContact CG1-CE2 4.08Å; V383-F387 WeakPolarHBondContact O-CD2 3.5Å; V383-F387 PolarHBondContact O-N 2.89Å
384V88.8Confident75.8Confident98 Ų9894.7 Ų94.759%0.59455%0.554SS**Hα-helixtrans-60.4-41.8178.3171.90000111.4L380 F387 A388L380-V384 WeakPolarHBondContact O-CG2 3.44Å; L380-V384 PolarHBondContact O-N 3.26Å; V384-F387 PolarHBondContact O-N 3.34Å; V384-A388 WeakPolarHBondContact O-CB 3.39Å; V384-A388 PolarHBondContact O-N 3.13Å
385L85.2Confident76Confident107 Ų10796.3 Ų96.356%0.5655%0.55SS**Hα-helixtrans-64.3-39.4175.2-178.262.7000112.1M381 V383 A388 V389M381-L385 WeakPolarHBondContact O-CB 3.31Å; M381-L385 PolarHBondContact O-N 2.85Å; V383-L385 VanDerWaalsContact C-N 3.33Å; V383-L385 PolarHBondContact O-N 3.05Å; L385-A388 PolarHBondContact O-N 3.48Å; L385-V389 HydrophobicContact CD1-CG2 4.14Å; L385-V389 HydrophobicContact CG-CG2 4.46Å; L385-V389 WeakPolarHBondContact O-CB 3.29Å; L385-V389 WeakPolarHBondContact O-CG2 3.21Å; L385-V389 PolarHBondContact O-N 3.46Å
386C84Confident76Confident84 Ų8497.3 Ų97.357%0.56856%0.555SS**Hα-helixtrans-63.2-45176.4-172.40000111.6V382 V383 A390V382-C386 VanDerWaalsContact O-CB 3.28Å; V382-C386 WeakPolarHBondContact O-CB 3.5Å; V382-C386 PolarHBondContact O-N 3.21Å; V383-C386 WeakPolarHBondContact O-CB 3.4Å; V383-C386 PolarHBondContact O-N 2.8Å; V383-C386 VanDerWaalsContact O-N 3.13Å; C386-A390 VanDerWaalsContact O-CB 3.3Å; C386-A390 WeakPolarHBondContact O-CB 3.42Å; C386-A390 PolarHBondContact O-N 2.78Å
387F86.1Confident75.8Confident128 Ų12895.5 Ų95.556%0.56156%0.557SS**Hα-helixtrans-61.3-45.8172.2-89.4-93.2000112V383 V384 V389 A390 F391V383-F387 HydrophobicContact CG1-CD2 4Å; V383-F387 HydrophobicContact CG1-CE2 4.08Å; V383-F387 WeakPolarHBondContact O-CD2 3.5Å; V383-F387 PolarHBondContact O-N 2.89Å; V384-F387 PolarHBondContact O-N 3.34Å; F387-V389 PolarHBondContact O-N 2.94Å; F387-A390 PolarHBondContact O-N 2.87Å; F387-F391 AromaticContact CD1-CD2 3.98Å; F387-F391 HydrophobicContact CD1-CD2 3.98Å; F387-F391 AromaticContact CD1-CE2 3.67Å; F387-F391 HydrophobicContact CD1-CE2 3.67Å; F387-F391 HydrophobicContact CE1-CE2 4.02Å; F387-F391 WeakPolarHBondContact O-CD2 3.28Å; F387-F391 PolarHBondContact O-N 3.01Å
388A84.7Confident75.1Confident61 Ų61103.4 Ų103.450%0.50457%0.574SS.*Hα-helixtrans-62.1-42.4-179.800000112.7V384 L385 G392V384-A388 WeakPolarHBondContact O-CB 3.39Å; V384-A388 PolarHBondContact O-N 3.13Å; L385-A388 PolarHBondContact O-N 3.48Å; A388-G392 WeakPolarHBondContact O-CA 3.47Å; A388-G392 PolarHBondContact O-N 3Å
389V83.5Confident73.5Confident88 Ų88102.9 Ų102.953%0.53358%0.583SS.*Hα-helixtrans-69.7-41.7177.2171.70000111.6L385 F387 S393L385-V389 HydrophobicContact CD1-CG2 4.14Å; L385-V389 HydrophobicContact CG-CG2 4.46Å; L385-V389 WeakPolarHBondContact O-CB 3.29Å; L385-V389 WeakPolarHBondContact O-CG2 3.21Å; L385-V389 PolarHBondContact O-N 3.46Å; F387-V389 PolarHBondContact O-N 2.94Å; V389-S393 WeakPolarHBondContact O-CB 3.45Å; V389-S393 PolarHBondContact O-N 2.81Å; V389-S393 PolarHBondContact O-OG 2.87Å
390A82.4Confident72.6Confident42 Ų42104.8 Ų104.835%0.34760%0.595SS.*Hα-helixtrans-62-58.5176.600000111.4C386 F387 S393 F394C386-A390 VanDerWaalsContact O-CB 3.3Å; C386-A390 WeakPolarHBondContact O-CB 3.42Å; C386-A390 PolarHBondContact O-N 2.78Å; F387-A390 PolarHBondContact O-N 2.87Å; A390-S393 PolarHBondContact O-N 2.95Å; A390-F394 WeakPolarHBondContact O-CD2 3.37Å
391F76.6Confident70.4Confident117 Ų117109.9 Ų109.951%0.51361%0.608SS.*Hα-helixtrans-69.8-38.3-176.1-78.2-89.8000112.9F387 S393 F394 F395F387-F391 AromaticContact CD1-CD2 3.98Å; F387-F391 HydrophobicContact CD1-CD2 3.98Å; F387-F391 AromaticContact CD1-CE2 3.67Å; F387-F391 HydrophobicContact CD1-CE2 3.67Å; F387-F391 HydrophobicContact CE1-CE2 4.02Å; F387-F391 WeakPolarHBondContact O-CD2 3.28Å; F387-F391 PolarHBondContact O-N 3.01Å; F391-S393 VanDerWaalsContact C-N 3.28Å; F391-S393 PolarHBondContact O-N 3.37Å; F391-F394 PolarHBondContact O-N 3.21Å; F391-F394 VanDerWaalsContact O-N 3.13Å; F391-F395 WeakPolarHBondContact O-CD2 3.2Å; F391-F395 PolarHBondContact O-N 3.36Å
392G70.8Confident68.7Low35 Ų35109.6 Ų109.636%0.36162%0.616SS.*Hα-helixtrans-58.9-38.8176.200000112.9A388 F394 F395 Q396A388-G392 WeakPolarHBondContact O-CA 3.47Å; A388-G392 PolarHBondContact O-N 3Å; G392-F394 VanDerWaalsContact C-N 3.28Å; G392-F394 PolarHBondContact O-N 2.97Å; G392-F395 PolarHBondContact O-N 3.06Å; G392-Q396 PolarHBondContact O-N 3.46Å
393S66.2Low66.5Low83 Ų83110.4 Ų110.458%0.5863%0.626SS**Hα-helixtrans-63.5-30.3177.5-59.80000113.4V389 A390 F391V389-S393 WeakPolarHBondContact O-CB 3.45Å; V389-S393 PolarHBondContact O-N 2.81Å; V389-S393 PolarHBondContact O-OG 2.87Å; A390-S393 PolarHBondContact O-N 2.95Å; F391-S393 VanDerWaalsContact C-N 3.28Å; F391-S393 PolarHBondContact O-N 3.37Å
394F62.1Low63.9Low160 Ų160111.6 Ų111.670%0.70264%0.643SS**Hα-helixtrans-76.6-33178.2-69.9-66.7000113.1A390 F391 G392A390-F394 WeakPolarHBondContact O-CD2 3.37Å; F391-F394 PolarHBondContact O-N 3.21Å; F391-F394 VanDerWaalsContact O-N 3.13Å; G392-F394 VanDerWaalsContact C-N 3.28Å; G392-F394 PolarHBondContact O-N 2.97Å
395F58.8Low61.3Low157 Ų157113.5 Ų113.569%0.68966%0.655SS**Hα-helixtrans-83.9-20.8179.4-72.2-72.6000114F391 G392 G397F391-F395 WeakPolarHBondContact O-CD2 3.2Å; F391-F395 PolarHBondContact O-N 3.36Å; G392-F395 PolarHBondContact O-N 3.06Å; F395-G397 PolarHBondContact O-N 2.58Å
396Q57.3Low58.9Low172 Ų172118.2 Ų118.280%0.80467%0.671SS**THydrogen-bonded Turntrans-747.8-178.4-153.3162.910.100114.5G392G392-Q396 PolarHBondContact O-N 3.46Å
397G52.7Low56.5Low65 Ų65122.4 Ų122.467%0.6768%0.684SS**THydrogen-bonded Turntrans-81.7-17.8173.800000115.6F395F395-G397 PolarHBondContact O-N 2.58Å
398Y54.4Low53.9Low213 Ų213121.3 Ų121.384%0.83570%0.698SS**  trans-105.358.3-175.4-65.5-79.6000112.6P400Y398-P400 WeakPolarHBondContact O-CD 3.45Å
399G41Very low51.7Low64 Ų64126.3 Ų126.366%0.6672%0.716SS**PPolyproline II helixtrans-80.2126.1176.800000113.2
400P50.7Low49.9Very low123 Ų123127.6 Ų127.680%0.79973%0.726SS**PPolyproline II helixtrans-65.6149.4166.3-20.333.8000112.2Y398Y398-P400 WeakPolarHBondContact O-CD 3.45Å
401Y37.2Very low47.4Very low215 Ų215130 Ų13084%0.84374%0.74SS**PPolyproline II helixtrans-53.4147.9-178.8-78.6-103.3000114.6
402P48.2Very low45.4Very low125 Ų125132.5 Ų132.581%0.81275%0.753SS**  trans-123.7125.1130.434.4-27.8000112.3
403S37.8Very low43.4Very low111 Ų111138.1 Ų138.178%0.77677%0.77SS**  trans-88120171.7-65.10000111.1
404A33.5Very low41.7Very low95 Ų95138.5 Ų138.579%0.78577%0.773SS**  trans-154.5111164.300000113.3
405T34.9Very low40.2Very low138 Ų138137.5 Ų137.585%0.84777%0.774SS**  trans18.8113.9146.6-47.60000119.5
406K34.5Very low38.8Very low207 Ų207138.6 Ų138.690%0.978%0.781SS**  trans-102.4127.8166-178.6-179.9-178.4178.10110.6
407M33.5Very low37.6Very low172 Ų172138.5 Ų138.585%0.84778%0.781SS**  trans-141.6151.4167.9-86.5-157.4162.500112.7
408A30.7Very low37.3Very low104 Ų104140.2 Ų140.286%0.8678%0.78SS**  trans55.6121164.900000120
409L39.5Very low36.4Very low167 Ų167140.7 Ų140.787%0.87478%0.782SS**  trans-100.9143.6155.2-160.687.6000108.7
410P44.3Very low36.6Very low115 Ų115144.4 Ų144.475%0.74779%0.792SS**  -147.5173.4120.231.1-12000113.3
411S30.3Very low35.9Very low92 Ų92143.6 Ų143.664%0.64380%0.796SS**  cis-175.2117-22.71680000110.8
412Q34.4Very low36Very low169 Ų169138.5 Ų138.579%0.7979%0.792SS**  trans66.7162.7171.9-47.8-63.4-4.100115.6
413H29.6Very low35.5Very low153 Ų153139.5 Ų139.571%0.70880%0.795SS**  cis-149.9-1800-144.5-157.7000106.8
414S30.2Very low35.3Very low92 Ų92140.2 Ų140.264%0.64379%0.794SS**  cis-155.5131.61.850.90000108.1
415L30.1Very low35.4Very low138 Ų138144.3 Ų144.372%0.72379%0.79SS**  72.596.889.3-142.1-173.5000115.9
416Q29.3Very low35.7Very low181 Ų181143.1 Ų143.185%0.84679%0.787SS**  trans-169.689.7130.3-165.1162.423.800113.8
417E32Very low36.3Very low169 Ų169141.5 Ų141.579%0.7978%0.775SS**  trans52.5159.5131.3-83.4-166.7158.700124.7
418P47.9Very low36.4Very low102 Ų102140.7 Ų140.766%0.66278%0.775SS**  -133.5163.2-124.143.6-28.9000117.6
419Y35.9Very low36.8Very low223 Ų223142 Ų14288%0.87577%0.767SS**  trans-142.8130.3150.6-88.5-77.8000112.6
420T44.8Very low36.5Very low141 Ų141141.6 Ų141.687%0.86576%0.764SS**  trans39.9106.916358.40000119.2
421A36.2Very low35.9Very low106 Ų106141.6 Ų141.688%0.87676%0.757SS**  trans-105.8136.9165.300000111.8
422S39.4Very low35.9Very low108 Ų108147.6 Ų147.676%0.75577%0.767SS**  trans-160.3120.8152.2-170.30000110.6
423V36.8Very low35.8Very low147 Ų147145.4 Ų145.489%0.89176%0.756SS**  trans-101.1111.4170.11730000107.6
424V33.4Very low35.8Very low125 Ų125147 Ų14776%0.75876%0.764SS**  trans-117.6113.8171.2-178.50000109.8
425R34.6Very low35.7Very low182 Ų182150 Ų15069%0.68777%0.768SS**  trans-9492.3-179.8173.1-168.4-179.691.4-16108.8R427R425-R427 HydrophobicContact CG-CG 4.42Å; R425-R427 PolarHBondContact O-N 2.85Å
426S41.8Very low35.7Very low113 Ų113148.4 Ų148.479%0.7977%0.768SS**  trans-71110.5173.544.50000110.8
427R46.6Very low36.4Very low172 Ų172145.2 Ų145.265%0.64976%0.763SS**  trans-141.9101.5168.7-76.2-170.7176-162.7-3109.9R425R425-R427 HydrophobicContact CG-CG 4.42Å; R425-R427 PolarHBondContact O-N 2.85Å
428N36.7Very low36.8Very low156 Ų156142.5 Ų142.583%0.83476%0.76SS**  trans-136.3119.5157.3-54.5-64.4000103.9
429L38.4Very low35.8Very low132 Ų132146.6 Ų146.669%0.69177%0.771SS**  cis63.266.314-126.8-179.7000112.6I431L429-I431 HydrophobicContact CD2-CD1 3.74Å; L429-I431 HydrophobicContact CD2-CG1 3.58Å
430L33Very low35.4Very low158 Ų158143 Ų14383%0.82776%0.762SS**  trans-95.6117.2158.8-115169.1000107.6
431I32.9Very low35.3Very low114 Ų114141.7 Ų141.759%0.58576%0.755SS**  trans-97.9139.1166.9-63.7167.1000106.7L429 E433L429-I431 HydrophobicContact CD2-CD1 3.74Å; L429-I431 HydrophobicContact CD2-CG1 3.58Å; I431-E433 HydrophobicContact CG2-CB 4.2Å
432Y30.5Very low34.8Very low218 Ų218141.5 Ų141.586%0.85575%0.748SS**  trans-139.2105.1156.4-114.9-95.4000102.8
433E30.8Very low34.4Very low123 Ų123141 Ų14158%0.57574%0.744SS**  cis65.376.242.3-153.774.8-148.700111I431 H435I431-E433 HydrophobicContact CG2-CB 4.2Å; E433-H435 IonicContact OE1-CD2 3.61Å; E433-H435 IonicContact OE1-CE1 2.84Å; E433-H435 IonicContact OE1-NE2 3.86Å; E433-H435 PolarHBondContact OE1-NE2 3.14Å
434E30.5Very low34.9Very low186 Ų186140.2 Ų140.287%0.86974%0.742SS**  trans-66.5121166.6170.5-171.9171.300110.5
435H28.6Very low34.7Very low155 Ų155137.3 Ų137.372%0.71874%0.738SS**  trans-145.5147.2162.8-78.7-70.6000112.7E433E433-H435 IonicContact OE1-CD2 3.61Å; E433-H435 IonicContact OE1-CE1 2.84Å; E433-H435 IonicContact OE1-NE2 3.86Å; E433-H435 PolarHBondContact OE1-NE2 3.14Å
436S28.8Very low34.7Very low105 Ų105134.9 Ų134.973%0.73475%0.749SS**  trans-139.7-177.7163.367.70000106.6
437P44.1Very low34.2Very low115 Ų115134.2 Ų134.275%0.74775%0.75SS**  cis-116.4-123.9-6.238.4-17.6000108.6
438P40.4Very low33.4Very low112 Ų112129.4 Ų129.473%0.72775%0.754SS**  cis-109.5-166.57.839.6-20.7000111.9
439E27.8Very low33.2Very low187 Ų187131.1 Ų131.187%0.87476%0.757SS**  cis-134-164.610.9-59.5-176.387.200112.2
440E28.2Very low33Very low149 Ų149132.4 Ų132.470%0.69676%0.764SS**  trans-129.5-174.6173.5-123.8-138.315600108.8
441P40.8Very low32.8Very low112 Ų112129 Ų12973%0.72777%0.766SS**  cis-126.1-171.910.746.2-30.2000113.3
442S27.3Very low32.7Very low102 Ų102126.5 Ų126.571%0.71377%0.769SS**  cis-153.5146.415.258.10000114.8
443S29.5Very low32.6Very low97 Ų97128 Ų12868%0.67877%0.773SS**  trans-67-176.2169.1-82.20000115.3
444P48Very low32.5Very low131 Ų131126.9 Ų126.985%0.85177%0.771SS**  cis-136.4-17912.642.8-24.3000117.1
445G29.6Very low32.4Very low65 Ų65127.8 Ų127.867%0.6777%0.767SS**  cis161.4177.9-1100000115.9
446S33.7Very low32.3Very low131 Ų131123.5 Ų123.592%0.91676%0.764SS**  trans72.3158.3163.4-61.80000121
447A31.4Very low32.2Very low98 Ų98123.9 Ų123.981%0.8177%0.767SS**  cis-175.1149.7-28.900000113.3
448G30.9Very low31.4Very low72 Ų72123.5 Ų123.574%0.74277%0.767SS**  trans88.8157.7148.100000120.8
449E31.9Very low31Very low191 Ų191125 Ų12589%0.89377%0.768SS**  cis-162-175.3-20.1-143.6173.6126.100113.1
450L33.7Very low31.1Very low160 Ų160122 Ų12284%0.83876%0.758SS**  trans-82.7161.6-156.5-77.978.3000120
451G30.2Very low31.1Very low85 Ų85124.9 Ų124.988%0.87676%0.762SS**  trans95.1160.3137.900000118.7
452G29.3Very low30.4Very low62 Ų62125.4 Ų125.464%0.63976%0.763SS**  cis149.9152-8.900000113.9
453W29.2Very low30.4Very low249 Ų249125 Ų12594%0.94376%0.76SS**  trans71.8157.2171.1-5383.5000118.1
454D28.3Very low30.2Very low100 Ų100126.4 Ų126.454%0.53577%0.765SS.*  cis-171.8153.8-29.8-175.230.2000111.6
455R28.7Very low29.3Very low206 Ų206127 Ų12778%0.77776%0.76SS**  trans52128147.3-175.4-172.3-43.1-90.8-15.3124.1
456G26.7Very low29Very low64 Ų64131.7 Ų131.766%0.6677%0.765SS**  145.494.5121.300000123.4
457S26.5Very low28.7Very low113 Ų113131.2 Ų131.279%0.7976%0.761SS**  66.7129.6128.4-59.60000125.5
458S27.1Very low28.5Very low108 Ų108135.6 Ų135.676%0.75576%0.757SS**  trans81.1150.5135.382.50000119.7
459L32.5Very low28.9Very low143 Ų143137.8 Ų137.875%0.74976%0.758SS**  cis-166.8157.4-6.2-123.4175.9000112
460L30.5Very low28.6Very low125 Ų125134 Ų13465%0.65474%0.743SS**  trans69160.4162.4-56.7173.5000118.5
461R27.1Very low28.4Very low209 Ų209133 Ų13379%0.78974%0.744SS**  cis-175.9166-31.4-174.7-171.4-81170.8-1.3107.4
462V25.7Very low28.4Very low122 Ų122136.9 Ų136.974%0.73975%0.745SS**  trans85.8146.9163.7-170.50000114.4
463S28.6Very low28.5Very low94 Ų94141.4 Ų141.466%0.65775%0.753SS**  cis177.6160.9-46.5-89.50000109
464T24.8Very low28.9Very low126 Ų126134.7 Ų134.777%0.77374%0.742SS**  trans64.8109.4151.640.50000121.8
465L27.9Very low28.9Very low145 Ų145138.7 Ų138.776%0.75976%0.757SS**  92.1130.2115.8-144.475.7000122.2
466E25.4Very low29Very low163 Ų163138.3 Ų138.376%0.76276%0.761SS**  trans107.3135.1132-121.2167.7171.600124.6
467S26.2Very low29.3Very low120 Ų120142.2 Ų142.284%0.83977%0.766SS**  trans81.3133.1155.572.20000122.4
468R27.1Very low29.7Very low190 Ų190144.3 Ų144.372%0.71777%0.766SS**  trans-107.9149.5164.3-148175.585.8167.73.8106.9D470R468-D470 HydrophobicContact CG-CB 4.31Å; R468-D470 IonicContact CZ-OD1 2.85Å; R468-D470 IonicContact CZ-OD2 2.67Å; R468-D470 IonicContact NE-OD1 2.78Å; R468-D470 IonicContact NE-OD2 2.6Å; R468-D470 IonicContact NH2-OD1 2.8Å; R468-D470 PolarHBondContact NH2-OD1 2.94Å; R468-D470 IonicContact NH2-OD2 2.68Å; R468-D470 PolarHBondContact NH2-OD2 3.09Å
469P39.1Very low30.1Very low118 Ų118143.9 Ų143.977%0.76676%0.763SS**  -134.1149.185.333.6-19.1000112.3
470D25.5Very low30.3Very low111 Ų111141.9 Ų141.959%0.59475%0.753SS**  cis80.398.643.6-148.533.5000113.7R468R468-D470 HydrophobicContact CG-CB 4.31Å; R468-D470 IonicContact CZ-OD1 2.85Å; R468-D470 IonicContact CZ-OD2 2.67Å; R468-D470 IonicContact NE-OD1 2.78Å; R468-D470 IonicContact NE-OD2 2.6Å; R468-D470 IonicContact NH2-OD1 2.8Å; R468-D470 PolarHBondContact NH2-OD1 2.94Å; R468-D470 IonicContact NH2-OD2 2.68Å; R468-D470 PolarHBondContact NH2-OD2 3.09Å
471V30.7Very low30.8Very low141 Ų141143.3 Ų143.386%0.85576%0.756SS**  trans-150.5134.5174.3-176.60000108.7
472D29.3Very low31.7Very low165 Ų165137.1 Ų137.188%0.88274%0.742SS**  trans-65.9153.8-178-79.8-61.2000115.6
473L32.3Very low32.5Very low157 Ų157134.4 Ų134.482%0.82273%0.729SS**  trans-137.2130.4165.6-169.374.1000109.5
474P38.3Very low33.3Very low109 Ų109135.5 Ų135.571%0.70873%0.727SS**PPolyproline II helixtrans-76.5134.4-169.929.2-34.9000113.6
475H27.7Very low34.5Very low184 Ų184136.1 Ų136.185%0.85272%0.721SS**PPolyproline II helixtrans-68.2129.5168.9-88.7-109.9000111.7
476F29.8Very low35.6Very low198 Ų198136.2 Ų136.287%0.86872%0.715SS**PPolyproline II helixtrans-80.4125.7160.3-90-93.4000110
477I34.2Very low37Very low146 Ų146131.8 Ų131.875%0.74970%0.702SS**PPolyproline II helixtrans-82.2116.3174.6-64.2172.8000108.7S479I477-S479 WeakPolarHBondContact CG2-OG 3.48Å
478I34.2Very low38.9Very low157 Ų157129.7 Ų129.781%0.80568%0.684SS**PPolyproline II helixtrans-77.4133.8164.2-62.5174.2000107.7
479S34.6Very low40.4Very low98 Ų98126 Ų12669%0.68568%0.677SS**  trans-152.6131.9177.2-81.60000113.6I477I477-S479 WeakPolarHBondContact CG2-OG 3.48Å
480N37.3Very low41.5Very low101 Ų101125.7 Ų125.754%0.5467%0.669SS.*  trans78.263.8160.2-157.69000119.7T482 S483N480-T482 PolarHBondContact O-N 3.5Å; N480-T482 PolarHBondContact OD1-N 3.23Å; N480-T482 PolarHBondContact OD1-OG1 3.39Å; N480-S483 PolarHBondContact OD1-N 3.48Å
481E41.9Very low43.4Very low155 Ų155126.8 Ų126.872%0.72467%0.67SS**G310 helixtrans-53.2-35.7160.1-62.2-71.691.900112.7S483 L484E481-S483 PolarHBondContact O-N 2.96Å; E481-L484 PolarHBondContact O-N 3.33Å; E481-L484 VanDerWaalsContact O-N 3.08Å
482T46.3Very low44.8Very low80 Ų80125.9 Ų125.949%0.49166%0.66SS.*G310 helixtrans-68.9-10.9-168.478.70000115.4N480N480-T482 PolarHBondContact O-N 3.5Å; N480-T482 PolarHBondContact OD1-N 3.23Å; N480-T482 PolarHBondContact OD1-OG1 3.39Å
483S40.9Very low46.2Very low65 Ų65123.7 Ų123.746%0.45565%0.645SS.*G310 helixtrans-82.2-36.5174.2-160.90000111.7N480 E481 K486 S487N480-S483 PolarHBondContact OD1-N 3.48Å; E481-S483 PolarHBondContact O-N 2.96Å; S483-K486 PolarHBondContact O-N 3.49Å; S483-S487 PolarHBondContact O-N 3.27Å; S483-S487 PolarHBondContact O-OG 2.98Å
484L47.1Very low47.7Very low117 Ų117122.6 Ų122.661%0.61364%0.636SS**Hα-helixtrans-73.8-40.6-172.2-163.3151.9000111.3E481 K486 S487 V488E481-L484 PolarHBondContact O-N 3.33Å; E481-L484 VanDerWaalsContact O-N 3.08Å; L484-K486 PolarHBondContact O-N 2.73Å; L484-S487 PolarHBondContact O-N 3.07Å; L484-V488 HydrophobicContact CD2-CG2 3.76Å; L484-V488 WeakPolarHBondContact O-CG2 3.49Å; L484-V488 PolarHBondContact O-N 3.03Å
485E49.2Very low48.5Very low139 Ų139124 Ų12465%0.6563%0.632SS**Hα-helixtrans-54.5-40.3173.6-62.2-17613500112.4L489E485-L489 WeakPolarHBondContact O-CB 3.16Å; E485-L489 PolarHBondContact O-N 3.39Å
486K50.6Low50.1Low147 Ų147121 Ų12164%0.63962%0.622SS**Hα-helixtrans-71.1-40180-68.7176.4-177.1169.90112.2S483 L484 L489 L490S483-K486 PolarHBondContact O-N 3.49Å; L484-K486 PolarHBondContact O-N 2.73Å; K486-L489 PolarHBondContact O-N 3.3Å; K486-L490 WeakPolarHBondContact O-CB 3.39Å; K486-L490 PolarHBondContact O-N 2.84Å
487S55.4Low51.5Low69 Ų69116.2 Ų116.248%0.48361%0.609SS.*Hα-helixtrans-63.6-46.1174.4-63.70000111.6S483 L484 L489 L490 E491S483-S487 PolarHBondContact O-N 3.27Å; S483-S487 PolarHBondContact O-OG 2.98Å; L484-S487 PolarHBondContact O-N 3.07Å; S487-L489 VanDerWaalsContact C-N 3.34Å; S487-L489 PolarHBondContact O-N 3.43Å; S487-L490 PolarHBondContact O-N 2.98Å; S487-E491 WeakPolarHBondContact O-CB 3.45Å; S487-E491 PolarHBondContact O-N 3.06Å
488V65Low52.4Low77 Ų77112.1 Ų112.147%0.46759%0.593SS.*Hα-helixtrans-63.5-39.2178.1171.90000111.6L484 E491 L492L484-V488 HydrophobicContact CD2-CG2 3.76Å; L484-V488 WeakPolarHBondContact O-CG2 3.49Å; L484-V488 PolarHBondContact O-N 3.03Å; V488-E491 PolarHBondContact O-N 3.18Å; V488-L492 VanDerWaalsContact O-CB 3.32Å; V488-L492 WeakPolarHBondContact O-CB 3.43Å; V488-L492 PolarHBondContact O-N 3.33Å
489L58.5Low53.5Low111 Ų111107.7 Ų107.758%0.58158%0.58SS**Hα-helixtrans-66.9-41.8176.5-160.7161.2000111.6E485 K486 S487 Q493E485-L489 WeakPolarHBondContact O-CB 3.16Å; E485-L489 PolarHBondContact O-N 3.39Å; K486-L489 PolarHBondContact O-N 3.3Å; S487-L489 VanDerWaalsContact C-N 3.34Å; S487-L489 PolarHBondContact O-N 3.43Å; L489-Q493 VanDerWaalsContact O-CB 3.31Å; L489-Q493 WeakPolarHBondContact O-CB 3.49Å; L489-Q493 PolarHBondContact O-N 3.34Å
490L62.6Low54.2Low112 Ų112111.3 Ų111.359%0.58658%0.583SS**Hα-helixtrans-62-44.6173.2-93.8159.6000112.5K486 S487 Q493 Q494K486-L490 WeakPolarHBondContact O-CB 3.39Å; K486-L490 PolarHBondContact O-N 2.84Å; S487-L490 PolarHBondContact O-N 2.98Å; L490-Q493 PolarHBondContact O-N 2.68Å; L490-Q494 WeakPolarHBondContact O-CB 3.46Å; L490-Q494 PolarHBondContact O-N 2.85Å
491E65.7Low54.8Low134 Ų134111.6 Ų111.663%0.62658%0.584SS**Hα-helixtrans-64.5-44.4178.6-172.9169.1-167.700111.4S487 V488 Q493 Q494 H495S487-E491 WeakPolarHBondContact O-CB 3.45Å; S487-E491 PolarHBondContact O-N 3.06Å; V488-E491 PolarHBondContact O-N 3.18Å; E491-Q493 PolarHBondContact O-N 2.6Å; E491-Q494 PolarHBondContact O-N 3.31Å; E491-H495 PolarHBondContact O-N 3.3Å
492L60.2Low55.1Low123 Ų123110.7 Ų110.764%0.64458%0.58SS**Hα-helixtrans-61.9-42.8174.8-161.783000111.8V488 H495 L496V488-L492 VanDerWaalsContact O-CB 3.32Å; V488-L492 WeakPolarHBondContact O-CB 3.43Å; V488-L492 PolarHBondContact O-N 3.33Å; L492-H495 PolarHBondContact O-N 3.18Å; L492-L496 PolarHBondContact O-N 3.2Å
493Q57.8Low55.3Low118 Ų118108.6 Ų108.655%0.55157%0.574SS**Hα-helixtrans-64.9-39.7176.3-178172.8-40.700111.6L489 L490 E491 L496 V497L489-Q493 VanDerWaalsContact O-CB 3.31Å; L489-Q493 WeakPolarHBondContact O-CB 3.49Å; L489-Q493 PolarHBondContact O-N 3.34Å; L490-Q493 PolarHBondContact O-N 2.68Å; E491-Q493 PolarHBondContact O-N 2.6Å; Q493-L496 PolarHBondContact O-N 3.43Å; Q493-V497 WeakPolarHBondContact O-CG2 3.37Å; Q493-V497 PolarHBondContact O-N 2.96Å; Q493-V497 VanDerWaalsContact O-N 3.08Å
494Q64.1Low55.6Low135 Ų135108.5 Ų108.563%0.63157%0.568SS**Hα-helixtrans-68.2-39.6176.6-171.5155.814.200111.7L490 E491 L496 V497 S498L490-Q494 WeakPolarHBondContact O-CB 3.46Å; L490-Q494 PolarHBondContact O-N 2.85Å; E491-Q494 PolarHBondContact O-N 3.31Å; Q494-L496 VanDerWaalsContact C-N 3.31Å; Q494-L496 PolarHBondContact O-N 2.96Å; Q494-V497 PolarHBondContact O-N 2.99Å; Q494-S498 PolarHBondContact O-N 3.09Å; Q494-S498 PolarHBondContact O-OG 2.81Å
495H56.3Low56Low137 Ų137108.7 Ų108.763%0.63457%0.566SS**Hα-helixtrans-61.5-39173.3-124.4-84.6000112.3E491 L492 S498 A499E491-H495 PolarHBondContact O-N 3.3Å; L492-H495 PolarHBondContact O-N 3.18Å; H495-S498 PolarHBondContact O-N 2.9Å; H495-A499 WeakPolarHBondContact O-CB 3.49Å; H495-A499 PolarHBondContact O-N 2.66Å
496L60.2Low56.2Low123 Ų123105.6 Ų105.664%0.64456%0.557SS**Hα-helixtrans-65.1-36.6175.5-117.9168.2000112.7L492 Q493 Q494 K500L492-L496 PolarHBondContact O-N 3.2Å; Q493-L496 PolarHBondContact O-N 3.43Å; Q494-L496 VanDerWaalsContact C-N 3.31Å; Q494-L496 PolarHBondContact O-N 2.96Å; L496-K500 WeakPolarHBondContact O-CB 3.43Å; L496-K500 PolarHBondContact O-N 2.87Å
497V58.8Low56.3Low96 Ų96104.6 Ų104.658%0.58256%0.558SS**Hα-helixtrans-71.9-44.5175.1172.60000111.2Q493 Q494 K500 L501Q493-V497 WeakPolarHBondContact O-CG2 3.37Å; Q493-V497 PolarHBondContact O-N 2.96Å; Q493-V497 VanDerWaalsContact O-N 3.08Å; Q494-V497 PolarHBondContact O-N 2.99Å; V497-K500 CarbonylContact O-C 3.58Å; V497-K500 PolarHBondContact O-N 3Å; V497-L501 PolarHBondContact O-N 3.27Å; V497-L501 VanDerWaalsContact O-N 3.16Å
498S54.8Low56.2Low61 Ų61107.9 Ų107.943%0.42756%0.564SS.*Hα-helixtrans-62.8-45.5178.4-63.40000112.6Q494 H495 K500 L501 E502Q494-S498 PolarHBondContact O-N 3.09Å; Q494-S498 PolarHBondContact O-OG 2.81Å; H495-S498 PolarHBondContact O-N 2.9Å; S498-K500 PolarHBondContact O-N 3.43Å; S498-L501 WeakPolarHBondContact O-CA 3.4Å; S498-L501 WeakPolarHBondContact O-CB 3.49Å; S498-L501 PolarHBondContact O-N 2.93Å; S498-E502 PolarHBondContact O-N 3.02Å
499A55.8Low55.8Low63 Ų63108.9 Ų108.952%0.52157%0.57SS.*Hα-helixtrans-61-32.1175.500000112.4H495 L501 G503H495-A499 WeakPolarHBondContact O-CB 3.49Å; H495-A499 PolarHBondContact O-N 2.66Å; A499-L501 VanDerWaalsContact C-N 3.26Å; A499-L501 PolarHBondContact O-N 3.31Å; A499-G503 PolarHBondContact O-N 2.91Å
500K50.2Low55.6Low174 Ų174108 Ų10876%0.75757%0.569SS**Hα-helixtrans-81.92.4174.2-152.9-161.3174.7-174.70113.8L496 V497 S498 N504L496-K500 WeakPolarHBondContact O-CB 3.43Å; L496-K500 PolarHBondContact O-N 2.87Å; V497-K500 CarbonylContact O-C 3.58Å; V497-K500 PolarHBondContact O-N 3Å; S498-K500 PolarHBondContact O-N 3.43Å; K500-N504 PolarHBondContact O-OD1 3.19Å
501L48.6Very low55.1Low108 Ų108107.9 Ų107.957%0.56557%0.565SS**Hα-helixtrans-107.7-34.5171.4-166.169.7000111.6V497 S498 A499 N504V497-L501 PolarHBondContact O-N 3.27Å; V497-L501 VanDerWaalsContact O-N 3.16Å; S498-L501 WeakPolarHBondContact O-CA 3.4Å; S498-L501 WeakPolarHBondContact O-CB 3.49Å; S498-L501 PolarHBondContact O-N 2.93Å; A499-L501 VanDerWaalsContact C-N 3.26Å; A499-L501 PolarHBondContact O-N 3.31Å; L501-N504 VanDerWaalsContact CA-OD1 3.29Å; L501-N504 WeakPolarHBondContact CA-OD1 3.49Å; L501-N504 PolarHBondContact O-ND2 3.23Å; L501-N504 PolarHBondContact O-OD1 3.11Å; L501-N504 VanDerWaalsContact O-OD1 3.06Å
502E49.4Very low54.5Low136 Ų136106.6 Ų106.664%0.63656%0.562SS**Hα-helixtrans-72.4-35.7-179.7-165.4176.1169.700112.6S498 N504 E505 T506S498-E502 PolarHBondContact O-N 3.02Å; E502-N504 VanDerWaalsContact C-N 3.29Å; E502-N504 PolarHBondContact O-N 3.28Å; E502-E505 PolarHBondContact O-N 3.03Å; E502-T506 PolarHBondContact O-N 3.14Å; E502-T506 VanDerWaalsContact O-N 3.13Å; E502-T506 PolarHBondContact O-OG1 3.13Å
503G49.8Very low54Low36 Ų36105.8 Ų105.837%0.37156%0.558SS.*Hα-helixtrans-63.7-26.717900000114.9A499 T506 L507A499-G503 PolarHBondContact O-N 2.91Å; G503-T506 WeakPolarHBondContact CA-OG1 3.42Å; G503-T506 PolarHBondContact O-OG1 2.89Å; G503-L507 WeakPolarHBondContact O-CD1 3.43Å; G503-L507 WeakPolarHBondContact O-CG 3.38Å
504N48.5Very low53.8Low62 Ų62109.8 Ų109.833%0.33257%0.568SS.*Hα-helixtrans-92.3-11.617852.7-101.4000114.2K500 L501 E502 K508K500-N504 PolarHBondContact O-OD1 3.19Å; L501-N504 VanDerWaalsContact CA-OD1 3.29Å; L501-N504 WeakPolarHBondContact CA-OD1 3.49Å; L501-N504 PolarHBondContact O-ND2 3.23Å; L501-N504 PolarHBondContact O-OD1 3.11Å; L501-N504 VanDerWaalsContact O-OD1 3.06Å; E502-N504 VanDerWaalsContact C-N 3.29Å; E502-N504 PolarHBondContact O-N 3.28Å; N504-K508 WeakPolarHBondContact O-CD 3.4Å; N504-K508 WeakPolarHBondContact O-CG 3.34Å
505E53.7Low53.3Low121 Ų121110 Ų11057%0.56556%0.563SS**Hα-helixtrans-88-45.6171.4-64.4-163.1151.400110.6E502 L507 K508 V509E502-E505 PolarHBondContact O-N 3.03Å; E505-L507 VanDerWaalsContact C-N 3.33Å; E505-L507 PolarHBondContact O-N 3.09Å; E505-K508 PolarHBondContact O-N 2.85Å; E505-V509 WeakPolarHBondContact O-CG2 3.48Å; E505-V509 PolarHBondContact O-N 3Å
506T54Low53.2Low75 Ų75108.3 Ų108.346%0.4656%0.563SS.*Hα-helixtrans-55.3-43.8174.147.30000112.7E502 G503 K508 V509 V510E502-T506 PolarHBondContact O-N 3.14Å; E502-T506 VanDerWaalsContact O-N 3.13Å; E502-T506 PolarHBondContact O-OG1 3.13Å; G503-T506 WeakPolarHBondContact CA-OG1 3.42Å; G503-T506 PolarHBondContact O-OG1 2.89Å; T506-K508 PolarHBondContact O-N 3.26Å; T506-V509 PolarHBondContact O-N 3.29Å; T506-V510 WeakPolarHBondContact O-CG2 3.49Å; T506-V510 PolarHBondContact O-N 2.84Å
507L52.7Low52.6Low125 Ų125108.3 Ų108.365%0.65456%0.563SS**Hα-helixtrans-59.8-41.3173.6-81.4170.6000113.1G503 E505 V510 E511G503-L507 WeakPolarHBondContact O-CD1 3.43Å; G503-L507 WeakPolarHBondContact O-CG 3.38Å; E505-L507 VanDerWaalsContact C-N 3.33Å; E505-L507 PolarHBondContact O-N 3.09Å; L507-V510 PolarHBondContact O-N 3.11Å; L507-E511 WeakPolarHBondContact O-CB 3.29Å; L507-E511 PolarHBondContact O-N 2.88Å
508K53.3Low52.2Low139 Ų139109 Ų10960%0.60457%0.568SS**Hα-helixtrans-68.4-38.9179.1-72.5173.9-176.4175.50112.4N504 E505 T506 E511 L512N504-K508 WeakPolarHBondContact O-CD 3.4Å; N504-K508 WeakPolarHBondContact O-CG 3.34Å; E505-K508 PolarHBondContact O-N 2.85Å; T506-K508 PolarHBondContact O-N 3.26Å; K508-E511 PolarHBondContact O-N 2.97Å; K508-L512 WeakPolarHBondContact O-CG 3.25Å; K508-L512 PolarHBondContact O-N 3Å
509V56.2Low51.8Low97 Ų97111.2 Ų111.259%0.58858%0.579SS**Hα-helixtrans-63.3-46.3176173.50000110.5E505 T506 E511 L512 D513E505-V509 WeakPolarHBondContact O-CG2 3.48Å; E505-V509 PolarHBondContact O-N 3Å; T506-V509 PolarHBondContact O-N 3.29Å; V509-E511 VanDerWaalsContact C-N 3.34Å; V509-E511 PolarHBondContact O-N 3.31Å; V509-L512 PolarHBondContact O-N 3.13Å; V509-D513 PolarHBondContact O-N 2.76Å; V509-D513 VanDerWaalsContact O-N 3.11Å
510V54.3Low51.1Low93 Ų93121.8 Ų121.856%0.56461%0.614SS**Hα-helixtrans-64.9-35.2178.2172.90000112.3T506 L507 R514T506-V510 WeakPolarHBondContact O-CG2 3.49Å; T506-V510 PolarHBondContact O-N 2.84Å; L507-V510 PolarHBondContact O-N 3.11Å; V510-R514 WeakPolarHBondContact O-CB 3.46Å; V510-R514 PolarHBondContact O-N 3.33Å
511E52.8Low51.1Low109 Ų109119.2 Ų119.251%0.50961%0.606SS.*Hα-helixtrans-76.2-24.6177.3-150.8-16512300113.4L507 K508 V509 R515L507-E511 WeakPolarHBondContact O-CB 3.29Å; L507-E511 PolarHBondContact O-N 2.88Å; K508-E511 PolarHBondContact O-N 2.97Å; V509-E511 VanDerWaalsContact C-N 3.34Å; V509-E511 PolarHBondContact O-N 3.31Å; E511-R515 VanDerWaalsContact CD-NH2 3.34Å; E511-R515 PolarHBondContact O-NE 3.46Å; E511-R515 PolarHBondContact O-NH2 2.97Å; E511-R515 IonicContact OE1-CZ 3.14Å; E511-R515 IonicContact OE1-NH1 2.69Å; E511-R515 PolarHBondContact OE1-NH1 3.1Å; E511-R515 IonicContact OE1-NH2 2.72Å; E511-R515 PolarHBondContact OE1-NH2 3.48Å
512L52.5Low51.3Low108 Ų108119.7 Ų119.757%0.56561%0.609SS**Hα-helixtrans-74.4-50.7173.3-79.5166.9000111.7K508 V509 R514 R515 V516K508-L512 WeakPolarHBondContact O-CG 3.25Å; K508-L512 PolarHBondContact O-N 3Å; V509-L512 PolarHBondContact O-N 3.13Å; L512-R514 PolarHBondContact O-N 2.74Å; L512-R515 PolarHBondContact O-N 3.45Å; L512-V516 PolarHBondContact O-N 3.12Å
513D50.1Low51.4Low105 Ų105118.8 Ų118.856%0.56161%0.607SS**Hα-helixtrans-60.8-32.4-179.4-168.443.5000112V509 R515 V516 N517V509-D513 PolarHBondContact O-N 2.76Å; V509-D513 VanDerWaalsContact O-N 3.11Å; D513-R515 VanDerWaalsContact C-N 3.27Å; D513-R515 PolarHBondContact O-N 2.98Å; D513-V516 PolarHBondContact O-N 3.22Å; D513-N517 PolarHBondContact O-ND2 3.04Å
514R54.5Low51.5Low203 Ų203123.7 Ų123.777%0.76662%0.621SS**Hα-helixtrans-71.2-14.8174.9-151.7177.6-169.2106.51.7114.6V510 L512V510-R514 WeakPolarHBondContact O-CB 3.46Å; V510-R514 PolarHBondContact O-N 3.33Å; L512-R514 PolarHBondContact O-N 2.74Å
515R53Low51.6Low138 Ų138127.6 Ų127.652%0.52164%0.639SS.*Hα-helixtrans-96.4-25.2175-88.3-174.8-75.4-106.4-3.9114.1E511 L512 D513 N517 T518E511-R515 VanDerWaalsContact CD-NH2 3.34Å; E511-R515 PolarHBondContact O-NE 3.46Å; E511-R515 PolarHBondContact O-NH2 2.97Å; E511-R515 IonicContact OE1-CZ 3.14Å; E511-R515 IonicContact OE1-NH1 2.69Å; E511-R515 PolarHBondContact OE1-NH1 3.1Å; E511-R515 IonicContact OE1-NH2 2.72Å; E511-R515 PolarHBondContact OE1-NH2 3.48Å; L512-R515 PolarHBondContact O-N 3.45Å; D513-R515 VanDerWaalsContact C-N 3.27Å; D513-R515 PolarHBondContact O-N 2.98Å; R515-N517 VanDerWaalsContact C-N 3.33Å; R515-T518 PolarHBondContact O-OG1 2.8Å; R515-T518 VanDerWaalsContact O-OG1 3.13Å
516V54Low51.5Low103 Ų103128 Ų12862%0.62464%0.644SS**Hα-helixtrans-69.6-34.4178177.60000111.1L512 D513 T518L512-V516 PolarHBondContact O-N 3.12Å; D513-V516 PolarHBondContact O-N 3.22Å; V516-T518 PolarHBondContact O-N 2.87Å; V516-T518 VanDerWaalsContact O-N 3.12Å
517N47.5Very low51.3Low122 Ų122131.8 Ų131.865%0.65266%0.657SS**THydrogen-bonded Turntrans-81.521.4-175-68.7-63000115.3D513 R515D513-N517 PolarHBondContact O-ND2 3.04Å; R515-N517 VanDerWaalsContact C-N 3.33Å
518T50.5Low51.2Low110 Ų110132.3 Ų132.368%0.67566%0.657SS**THydrogen-bonded Turntrans-122.414.8-179.551.80000115.2R515 V516R515-T518 PolarHBondContact O-OG1 2.8Å; R515-T518 VanDerWaalsContact O-OG1 3.13Å; V516-T518 PolarHBondContact O-N 2.87Å; V516-T518 VanDerWaalsContact O-N 3.12Å
519T47.3Very low51.1Low109 Ų109131.8 Ų131.867%0.66966%0.662SS**  trans-140.892.7171.249.40000112
520F40.1Very low50.6Low284 Ų284134.9 Ų134.9100%1.24667%0.668SS**  -167.50129-104.3-65.1000110.8

Retrieved 520 of 520 residues in 1267 ms (Link to these results)