A0A096NM39_PAPAN Loading...

Tropomodulin 2

AlphaFold DB , UniProt , Accession A0A096NM39, Species PAPAN (Papio anubis, Olive baboon), Gene TMOD2, Length 351 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
1M45.8Very low55.2Low242 Ų242130 Ų130100%1.19265%0.65SS**  0112.50-73.2176.3-153.900106.8
2A48.1Very low56.1Low65 Ų65130.3 Ų130.354%0.53764%0.639SS.*  trans-61.9135.7177.800000109.8Q6A2-Q6 HydrophobicContact CB-CB 4.25Å; A2-Q6 VanDerWaalsContact CB-OE1 3.23Å
3L43.6Very low57Low100 Ų100131.2 Ų131.252%0.52464%0.637SS.*  trans-60.9147.5179.6-70.6153.2000109.6F5 Q6L3-F5 HydrophobicContact CB-CD1 3.6Å; L3-F5 HydrophobicContact CB-CE1 3.19Å; L3-F5 HydrophobicContact CB-CG 4.47Å; L3-F5 HydrophobicContact CB-CZ 3.75Å; L3-F5 HydrophobicContact CD1-CE1 3.49Å; L3-F5 VanDerWaalsContact CD1-CE1 3.49Å; L3-F5 HydrophobicContact CD1-CZ 3.61Å; L3-F5 HydrophobicContact CD2-CE1 4.44Å; L3-F5 HydrophobicContact CG-CE1 3.84Å; L3-F5 HydrophobicContact CG-CZ 4.29Å; L3-F5 PolarHBondContact O-N 2.77Å; L3-Q6 WeakPolarHBondContact O-CB 3.43Å; L3-Q6 PolarHBondContact O-N 2.88Å
4P54.3Low57.9Low110 Ų110133 Ų13371%0.71465%0.652SS**G310 helixtrans-52.8-31.8-172.1-26.733.4000115Q6 K7P4-Q6 VanDerWaalsContact C-N 3.28Å; P4-Q6 PolarHBondContact O-N 3.02Å; P4-K7 PolarHBondContact O-N 3.47Å
5F53.5Low59.3Low124 Ų124128.9 Ų128.954%0.54463%0.633SS.*G310 helixtrans-69.2-20.2177.565.4-97.9000114.1L3 K7L3-F5 HydrophobicContact CB-CD1 3.6Å; L3-F5 HydrophobicContact CB-CE1 3.19Å; L3-F5 HydrophobicContact CB-CG 4.47Å; L3-F5 HydrophobicContact CB-CZ 3.75Å; L3-F5 HydrophobicContact CD1-CE1 3.49Å; L3-F5 VanDerWaalsContact CD1-CE1 3.49Å; L3-F5 HydrophobicContact CD1-CZ 3.61Å; L3-F5 HydrophobicContact CD2-CE1 4.44Å; L3-F5 HydrophobicContact CG-CE1 3.84Å; L3-F5 HydrophobicContact CG-CZ 4.29Å; L3-F5 PolarHBondContact O-N 2.77Å; F5-K7 VanDerWaalsContact C-N 3.31Å; F5-K7 PolarHBondContact O-N 3.44Å
6Q54.8Low60.6Low95 Ų95126.7 Ų126.744%0.44462%0.624SS.*G310 helixtrans-75.2-19.6179.6-72.1-179.3-29.800113.1A2 L3 P4 E8A2-Q6 HydrophobicContact CB-CB 4.25Å; A2-Q6 VanDerWaalsContact CB-OE1 3.23Å; L3-Q6 WeakPolarHBondContact O-CB 3.43Å; L3-Q6 PolarHBondContact O-N 2.88Å; P4-Q6 VanDerWaalsContact C-N 3.28Å; P4-Q6 PolarHBondContact O-N 3.02Å; Q6-E8 VanDerWaalsContact C-N 3.34Å
7K57.4Low61.5Low169 Ų169127.6 Ų127.674%0.73563%0.627SS**G310 helixtrans-75.7-21.8178.7-75.4-175.4176.3-178.30113.4P4 F5P4-K7 PolarHBondContact O-N 3.47Å; F5-K7 VanDerWaalsContact C-N 3.31Å; F5-K7 PolarHBondContact O-N 3.44Å
8E58.3Low62.5Low134 Ų134127.8 Ų127.863%0.62663%0.631SS**THydrogen-bonded Turntrans-91.1-15.7-178.2-65.9-177175.500113.2Q6 E10 K11 Y12Q6-E8 VanDerWaalsContact C-N 3.34Å; E8-E10 VanDerWaalsContact C-N 3.28Å; E8-E10 PolarHBondContact O-N 3.33Å; E8-K11 VanDerWaalsContact O-CB 3.32Å; E8-K11 WeakPolarHBondContact O-CB 3.43Å; E8-K11 PolarHBondContact O-N 3.37Å; E8-Y12 VanDerWaalsContact O-CD2 3.28Å; E8-Y12 WeakPolarHBondContact O-CD2 3.32Å; E8-Y12 WeakPolarHBondContact O-CE2 3.28Å
9L58.9Low63.6Low99 Ų99126.8 Ų126.852%0.51863%0.625SS.*G310 helixtrans-65.1-27.3179.7-83.6162000113.6K11 Y12 K13L9-K11 PolarHBondContact O-N 3.4Å; L9-Y12 PolarHBondContact O-N 3.49Å; L9-Y12 VanDerWaalsContact O-N 3.09Å; L9-K13 PolarHBondContact O-N 3.09Å
10E66.2Low64.3Low128 Ų128125.2 Ų125.260%0.59862%0.618SS**G310 helixtrans-61.8-28.4177-66.2-125.712800112.7E8 Y12 K13E8-E10 VanDerWaalsContact C-N 3.28Å; E8-E10 PolarHBondContact O-N 3.33Å; E10-Y12 PolarHBondContact O-N 3.3Å; E10-K13 PolarHBondContact O-N 3.24Å; E10-K13 IonicContact OE1-NZ 2.85Å; E10-K13 PolarHBondContact OE1-NZ 3.24Å
11K66.8Low64.9Low164 Ų164122.7 Ų122.771%0.71361%0.607SS**G310 helixtrans-66-25.2177.5-169.3-176.7175.6-171.70112.5E8 L9E8-K11 VanDerWaalsContact O-CB 3.32Å; E8-K11 WeakPolarHBondContact O-CB 3.43Å; E8-K11 PolarHBondContact O-N 3.37Å; L9-K11 PolarHBondContact O-N 3.4Å
12Y65.4Low66.6Low133 Ų133114.4 Ų114.452%0.52258%0.584SS.*G310 helixtrans-99.1-6.1-176.4-56.3-84.8000113.1E8 L9 E10 N14 I15E8-Y12 VanDerWaalsContact O-CD2 3.28Å; E8-Y12 WeakPolarHBondContact O-CD2 3.32Å; E8-Y12 WeakPolarHBondContact O-CE2 3.28Å; L9-Y12 PolarHBondContact O-N 3.49Å; L9-Y12 VanDerWaalsContact O-N 3.09Å; E10-Y12 PolarHBondContact O-N 3.3Å; Y12-N14 VanDerWaalsContact C-N 3.28Å; Y12-N14 PolarHBondContact O-N 3.33Å; Y12-I15 HydrophobicContact CD1-CD1 3.46Å; Y12-I15 VanDerWaalsContact CD1-CD1 3.46Å; Y12-I15 HydrophobicContact CE1-CD1 4.34Å; Y12-I15 HydrophobicContact CG-CD1 4.15Å
13K67.6Low68.4Low142 Ų142118 Ų11862%0.61759%0.587SS**THydrogen-bonded Turntrans-65.6-24.1-178.7-80.4-178.2179172.10115L9 E10L9-K13 PolarHBondContact O-N 3.09Å; E10-K13 PolarHBondContact O-N 3.24Å; E10-K13 IonicContact OE1-NZ 2.85Å; E10-K13 PolarHBondContact OE1-NZ 3.24Å
14N70.1Confident70.2Confident157 Ų157116.3 Ų116.384%0.8458%0.578SS**THydrogen-bonded Turntrans-115.419.7-173-63.4-14.4000112.4Y12Y12-N14 VanDerWaalsContact C-N 3.28Å; Y12-N14 PolarHBondContact O-N 3.33Å
15I78.3Confident71.8Confident72 Ų72113.7 Ų113.737%0.36956%0.562SS.*  trans-82.7134.9176.7-65.3179000108.1Y12 E17 L20Y12-I15 HydrophobicContact CD1-CD1 3.46Å; Y12-I15 VanDerWaalsContact CD1-CD1 3.46Å; Y12-I15 HydrophobicContact CE1-CD1 4.34Å; Y12-I15 HydrophobicContact CG-CD1 4.15Å; I15-E17 PolarHBondContact O-N 3.24Å; I15-L20 HydrophobicContact CG2-CD1 3.26Å; I15-L20 HydrophobicContact CG2-CG 4.21Å
16D80Confident73.3Confident93 Ų93116.1 Ų116.150%0.49758%0.576SS.*  trans-76.2101.3174.8-165.9-25.2000109.3D18 E19 L20D16-D18 VanDerWaalsContact C-N 3.31Å; D16-D18 PolarHBondContact OD1-N 3.47Å; D16-E19 HydrophobicContact CB-CB 4.03Å; D16-E19 PolarHBondContact O-N 3.27Å; D16-E19 PolarHBondContact OD1-N 2.89Å; D16-L20 PolarHBondContact O-N 2.65Å
17E76.1Confident74.5Confident143 Ų143118.8 Ų118.867%0.66859%0.588SS**Hα-helixtrans-66-35.2-176.4-63.7179.217900111.4I15 L20 L21I15-E17 PolarHBondContact O-N 3.24Å; E17-L20 PolarHBondContact O-N 3.18Å; E17-L21 VanDerWaalsContact O-CG 3.3Å; E17-L21 WeakPolarHBondContact O-CG 3.42Å; E17-L21 PolarHBondContact O-N 3.28Å
18D79.3Confident75.6Confident131 Ų131115 Ų11570%0.70157%0.573SS**Hα-helixtrans-70.4-37-179.2-68.5-32.2000111.3D16 L20 G22D16-D18 VanDerWaalsContact C-N 3.31Å; D16-D18 PolarHBondContact OD1-N 3.47Å; D18-L20 VanDerWaalsContact C-N 3.33Å; D18-G22 PolarHBondContact O-N 3.49Å
19E83.8Confident76.8Confident109 Ų109112.1 Ų112.151%0.50956%0.561SS.*Hα-helixtrans-66.7-34.8174.7-161.6-165.1154.100112.1D16 K23D16-E19 HydrophobicContact CB-CB 4.03Å; D16-E19 PolarHBondContact O-N 3.27Å; D16-E19 PolarHBondContact OD1-N 2.89Å; E19-K23 WeakPolarHBondContact O-CG 3.44Å; E19-K23 PolarHBondContact O-N 2.93Å; E19-K23 WeakPolarHBondContact OE1-CE 3.39Å; E19-K23 IonicContact OE1-NZ 2.77Å; E19-K23 PolarHBondContact OE1-NZ 3.34Å
20L77.4Confident77.8Confident93 Ų93112.8 Ų112.849%0.48756%0.56SS.*Hα-helixtrans-72.3-44.4176.6-78174.6000112I15 D16 E17 D18 G22 K23I15-L20 HydrophobicContact CG2-CD1 3.26Å; I15-L20 HydrophobicContact CG2-CG 4.21Å; D16-L20 PolarHBondContact O-N 2.65Å; E17-L20 PolarHBondContact O-N 3.18Å; D18-L20 VanDerWaalsContact C-N 3.33Å; L20-G22 VanDerWaalsContact C-N 3.31Å; L20-G22 PolarHBondContact O-N 2.89Å; L20-K23 PolarHBondContact O-N 3.35Å
21L77.7Confident78.4Confident73 Ų73112.6 Ų112.638%0.38256%0.559SS.*Hα-helixtrans-64.8-36.7177.4-69.3172.6000111.6E17 K23 L24 L29 L32E17-L21 VanDerWaalsContact O-CG 3.3Å; E17-L21 WeakPolarHBondContact O-CG 3.42Å; E17-L21 PolarHBondContact O-N 3.28Å; L21-K23 PolarHBondContact O-N 3.32Å; L21-L24 HydrophobicContact CD2-CD1 4.2Å; L21-L24 PolarHBondContact O-N 2.93Å; L21-L29 HydrophobicContact CD2-CD2 3.96Å; L21-L32 HydrophobicContact CD2-CD2 3.87Å
22G81.8Confident79Confident69 Ų69108.2 Ų108.271%0.71154%0.543SS*.THydrogen-bonded Turntrans-68.4-15.5176.100000115.2D18 L20D18-G22 PolarHBondContact O-N 3.49Å; L20-G22 VanDerWaalsContact C-N 3.31Å; L20-G22 PolarHBondContact O-N 2.89Å
23K84.7Confident79.6Confident141 Ų141107.5 Ų107.561%0.61354%0.544SS*.THydrogen-bonded Turntrans-91.4-12.9176.1-74171.5-173166.20113.4E19 L20 L21E19-K23 WeakPolarHBondContact O-CG 3.44Å; E19-K23 PolarHBondContact O-N 2.93Å; E19-K23 WeakPolarHBondContact OE1-CE 3.39Å; E19-K23 IonicContact OE1-NZ 2.77Å; E19-K23 PolarHBondContact OE1-NZ 3.34Å; L20-K23 PolarHBondContact O-N 3.35Å; L21-K23 PolarHBondContact O-N 3.32Å
24L82.5Confident80Confident63 Ų63104.1 Ų104.133%0.3353%0.533SS..SBendtrans-81.9142.6179.9-68.5168.9000110.6L21 E28 L29 L32L21-L24 HydrophobicContact CD2-CD1 4.2Å; L21-L24 PolarHBondContact O-N 2.93Å; L24-E28 HydrophobicContact CB-CB 4.26Å; L24-E28 HydrophobicContact CD2-CB 3.96Å; L24-L29 HydrophobicContact CB-CD2 4.41Å; L24-L29 HydrophobicContact CB-CG 3.93Å; L24-L29 HydrophobicContact CD1-CD2 4.37Å; L24-L32 HydrophobicContact CD1-CD2 4.19Å
25S88.3Confident80.1Confident55 Ų55100.3 Ų100.339%0.38552%0.515SS..  trans-71.7161.2170.562.50000111.3E27 E28 L29S25-E27 PolarHBondContact O-N 2.76Å; S25-E28 WeakPolarHBondContact CB-OE2 3.36Å; S25-E28 PolarHBondContact N-OE2 3.5Å; S25-E28 PolarHBondContact O-N 3.23Å; S25-E28 VanDerWaalsContact O-N 3.08Å; S25-E28 VanDerWaalsContact OG-CD 3.27Å; S25-E28 VanDerWaalsContact OG-CG 3.27Å; S25-E28 WeakPolarHBondContact OG-CG 3.41Å; S25-E28 PolarHBondContact OG-N 3.32Å; S25-E28 PolarHBondContact OG-OE2 3.06Å; S25-L29 PolarHBondContact O-N 3.22Å
26E83.8Confident79.8Confident176 Ų176102 Ų10282%0.82252%0.524SS*.Hα-helixtrans-58.5-31.6178.5-164.7176.5-18000112.3K30E26-K30 WeakPolarHBondContact O-CB 3.48Å; E26-K30 PolarHBondContact O-N 3Å; E26-K30 VanDerWaalsContact O-N 3.16Å
27E80.6Confident79.2Confident151 Ų151101 Ų10171%0.70652%0.519SS*.Hα-helixtrans-70.5-40.7175.5-64.1-175.5178.400112.4S25 K30 Q31S25-E27 PolarHBondContact O-N 2.76Å; E27-K30 PolarHBondContact O-N 3.08Å; E27-Q31 WeakPolarHBondContact O-CG 3.43Å; E27-Q31 PolarHBondContact O-N 3.07Å
28E81.1Confident78.6Confident90 Ų90100.1 Ų100.142%0.42152%0.519SS..Hα-helixtrans-73-36.7179.1-68.8166.8136.700111.7L24 S25 K30 Q31 L32L24-E28 HydrophobicContact CB-CB 4.26Å; L24-E28 HydrophobicContact CD2-CB 3.96Å; S25-E28 WeakPolarHBondContact CB-OE2 3.36Å; S25-E28 PolarHBondContact N-OE2 3.5Å; S25-E28 PolarHBondContact O-N 3.23Å; S25-E28 VanDerWaalsContact O-N 3.08Å; S25-E28 VanDerWaalsContact OG-CD 3.27Å; S25-E28 VanDerWaalsContact OG-CG 3.27Å; S25-E28 WeakPolarHBondContact OG-CG 3.41Å; S25-E28 PolarHBondContact OG-N 3.32Å; S25-E28 PolarHBondContact OG-OE2 3.06Å; E28-K30 VanDerWaalsContact C-N 3.31Å; E28-K30 PolarHBondContact O-N 2.78Å; E28-Q31 PolarHBondContact O-N 3.08Å; E28-L32 WeakPolarHBondContact O-CB 3.36Å; E28-L32 PolarHBondContact O-N 3.27Å
29L82.4Confident77.9Confident72 Ų7299.9 Ų99.938%0.37752%0.517SS..Hα-helixtrans-59.7-43.2171.3-81.5161.8000111.3L21 L24 S25 Q31 L32 E33L21-L29 HydrophobicContact CD2-CD2 3.96Å; L24-L29 HydrophobicContact CB-CD2 4.41Å; L24-L29 HydrophobicContact CB-CG 3.93Å; L24-L29 HydrophobicContact CD1-CD2 4.37Å; S25-L29 PolarHBondContact O-N 3.22Å; L29-Q31 VanDerWaalsContact C-N 3.35Å; L29-Q31 PolarHBondContact O-N 3.49Å; L29-L32 PolarHBondContact O-N 3.33Å; L29-E33 PolarHBondContact O-N 3.49Å
30K79.9Confident77.1Confident114 Ų11498.2 Ų98.250%0.49651%0.512SS..Hα-helixtrans-67.1-34.9177.3-164.9172.3-173170.90112.7E26 E27 E28 N34E26-K30 WeakPolarHBondContact O-CB 3.48Å; E26-K30 PolarHBondContact O-N 3Å; E26-K30 VanDerWaalsContact O-N 3.16Å; E27-K30 PolarHBondContact O-N 3.08Å; E28-K30 VanDerWaalsContact C-N 3.31Å; E28-K30 PolarHBondContact O-N 2.78Å; K30-N34 PolarHBondContact O-N 2.96Å; K30-N34 PolarHBondContact O-ND2 3.39Å
31Q78.6Confident76.3Confident124 Ų12498.8 Ų98.858%0.57952%0.521SS*.Hα-helixtrans-67.2-41.1171.9-73.4176.211.600111.7E27 E28 L29 N34 V35E27-Q31 WeakPolarHBondContact O-CG 3.43Å; E27-Q31 PolarHBondContact O-N 3.07Å; E28-Q31 PolarHBondContact O-N 3.08Å; L29-Q31 VanDerWaalsContact C-N 3.35Å; L29-Q31 PolarHBondContact O-N 3.49Å; Q31-N34 PolarHBondContact O-N 3.17Å; Q31-V35 WeakPolarHBondContact O-CG2 3.42Å; Q31-V35 PolarHBondContact O-N 2.96Å; Q31-V35 VanDerWaalsContact O-N 3.07Å
32L79.9Confident75.5Confident71 Ų71102.4 Ų102.437%0.37254%0.536SS..Hα-helixtrans-64.3-40.6177.8-171.167.6000111.6L21 L24 E28 L29 N34 V35 L36L21-L32 HydrophobicContact CD2-CD2 3.87Å; L24-L32 HydrophobicContact CD1-CD2 4.19Å; E28-L32 WeakPolarHBondContact O-CB 3.36Å; E28-L32 PolarHBondContact O-N 3.27Å; L29-L32 PolarHBondContact O-N 3.33Å; L32-N34 PolarHBondContact O-N 3.05Å; L32-V35 PolarHBondContact O-N 3.33Å; L32-L36 HydrophobicContact CG-CD1 4.27Å; L32-L36 WeakPolarHBondContact O-CG 3.37Å; L32-L36 PolarHBondContact O-N 3.17Å
33E78.5Confident74.7Confident118 Ų118100.6 Ų100.655%0.55151%0.512SS*.Hα-helixtrans-57.5-46.3172.4-172.8179.3-165.400111.7L29 V35 L36 D37L29-E33 PolarHBondContact O-N 3.49Å; E33-V35 VanDerWaalsContact C-N 3.33Å; E33-V35 PolarHBondContact O-N 3.45Å; E33-L36 PolarHBondContact O-N 3.24Å; E33-D37 PolarHBondContact O-N 2.72Å; E33-D37 VanDerWaalsContact O-N 3.13Å
34N74.3Confident73.7Confident71 Ų7196.9 Ų96.938%0.3851%0.508SS..Hα-helixtrans-61.5-40.5176.6-69.6-42.9000112.8K30 Q31 L32 D38K30-N34 PolarHBondContact O-N 2.96Å; K30-N34 PolarHBondContact O-ND2 3.39Å; Q31-N34 PolarHBondContact O-N 3.17Å; L32-N34 PolarHBondContact O-N 3.05Å; N34-D38 PolarHBondContact O-N 2.87Å
35V73.4Confident72.9Confident77 Ų77102 Ų10247%0.46753%0.532SS..Hα-helixtrans-70.8-36-179.9172.50000111.4Q31 L32 E33 D38 L39Q31-V35 WeakPolarHBondContact O-CG2 3.42Å; Q31-V35 PolarHBondContact O-N 2.96Å; Q31-V35 VanDerWaalsContact O-N 3.07Å; L32-V35 PolarHBondContact O-N 3.33Å; E33-V35 VanDerWaalsContact C-N 3.33Å; E33-V35 PolarHBondContact O-N 3.45Å; V35-D38 PolarHBondContact O-N 2.8Å; V35-L39 HydrophobicContact CG1-CD1 3.78Å; V35-L39 HydrophobicContact CG1-CG 4.5Å; V35-L39 WeakPolarHBondContact O-CD1 3.38Å; V35-L39 VanDerWaalsContact O-CG 3.29Å; V35-L39 WeakPolarHBondContact O-CG 3.44Å; V35-L39 PolarHBondContact O-N 3.2Å; V35-L39 VanDerWaalsContact O-N 3.16Å
36L71.5Confident71.7Confident107 Ų107103.2 Ų103.256%0.5653%0.534SS*.Hα-helixtrans-64.9-40.1176-77.6167.1000111.9L32 E33 D38 L39 D40L32-L36 HydrophobicContact CG-CD1 4.27Å; L32-L36 WeakPolarHBondContact O-CG 3.37Å; L32-L36 PolarHBondContact O-N 3.17Å; E33-L36 PolarHBondContact O-N 3.24Å; L36-D38 VanDerWaalsContact C-N 3.31Å; L36-D38 PolarHBondContact O-N 3.09Å; L36-L39 PolarHBondContact O-N 3.09Å; L36-D40 PolarHBondContact O-N 3.3Å
37D67.1Low70.9Confident73 Ų7398.8 Ų98.839%0.3952%0.521SS..Hα-helixtrans-63.7-34.7175.8-76.5-10.8000112.9E33 L39 K53E33-D37 PolarHBondContact O-N 2.72Å; E33-D37 VanDerWaalsContact O-N 3.13Å; D37-L39 VanDerWaalsContact C-N 3.32Å; D37-K53 IonicContact OD2-NZ 2.76Å; D37-K53 PolarHBondContact OD2-NZ 3.4Å
38D64.9Low70.1Confident124 Ų12495.5 Ų95.566%0.66352%0.52SS*.Hα-helixtrans-75.1-24.1177-73.4-16.5000112.5N34 V35 L36N34-D38 PolarHBondContact O-N 2.87Å; V35-D38 PolarHBondContact O-N 2.8Å; L36-D38 VanDerWaalsContact C-N 3.31Å; L36-D38 PolarHBondContact O-N 3.09Å
39L63.1Low69Low127 Ų12794.5 Ų94.567%0.66553%0.533SS*.THydrogen-bonded Turntrans-89.3-3.3177.8-70.8167.5000112.9V35 L36 D37 P41V35-L39 HydrophobicContact CG1-CD1 3.78Å; V35-L39 HydrophobicContact CG1-CG 4.5Å; V35-L39 WeakPolarHBondContact O-CD1 3.38Å; V35-L39 VanDerWaalsContact O-CG 3.29Å; V35-L39 WeakPolarHBondContact O-CG 3.44Å; V35-L39 PolarHBondContact O-N 3.2Å; V35-L39 VanDerWaalsContact O-N 3.16Å; L36-L39 PolarHBondContact O-N 3.09Å; D37-L39 VanDerWaalsContact C-N 3.32Å; L39-P41 WeakPolarHBondContact O-CD 3.41Å
40D67.3Low68Low73 Ų7399.1 Ų99.139%0.3955%0.55SS.*  trans-62.6118.4177.2-172.9-12.8000110.5L36 E42 S43L36-D40 PolarHBondContact O-N 3.3Å; D40-E42 PolarHBondContact O-N 3.33Å; D40-E42 VanDerWaalsContact O-N 3.12Å; D40-E42 PolarHBondContact OD1-N 3.25Å; D40-S43 VanDerWaalsContact O-CB 3.25Å; D40-S43 WeakPolarHBondContact O-CB 3.28Å; D40-S43 PolarHBondContact O-N 3.18Å
41P60.6Low67.2Low105 Ų10599.6 Ų99.668%0.68255%0.549SS*.THydrogen-bonded Turntrans-58.8-23.2178.722-32.3000113.9L39L39-P41 WeakPolarHBondContact O-CD 3.41Å
42E61.8Low66.3Low149 Ų149100.3 Ų100.370%0.69655%0.553SS**THydrogen-bonded Turntrans-76.8-26.7175.3-67-161.7157.700113D40 A44 M45D40-E42 PolarHBondContact O-N 3.33Å; D40-E42 VanDerWaalsContact O-N 3.12Å; D40-E42 PolarHBondContact OD1-N 3.25Å; E42-A44 PolarHBondContact O-N 2.91Å; E42-M45 WeakPolarHBondContact O-CB 3.48Å; E42-M45 PolarHBondContact O-N 3.22Å
43S63.5Low65.3Low31 Ų31101.4 Ų101.422%0.21755%0.554CS.*G310 helixtrans-61.6-32.1174.6-1710000111.8D40 M45 L46D40-S43 VanDerWaalsContact O-CB 3.25Å; D40-S43 WeakPolarHBondContact O-CB 3.28Å; D40-S43 PolarHBondContact O-N 3.18Å; S43-M45 PolarHBondContact O-N 3.46Å; S43-L46 PolarHBondContact O-N 3.07Å
44A63.8Low64.2Low64 Ų64102.1 Ų102.153%0.52956%0.562SS.*G310 helixtrans-69.9-15174.400000114.2E42 R51E42-A44 PolarHBondContact O-N 2.91Å; A44-R51 PolarHBondContact O-NH2 3.48Å
45M66.6Low63.4Low169 Ų169105.3 Ų105.383%0.83357%0.574SS**G310 helixtrans-92-12.4174.8-68.8-157.7179.700113.5E42 S43E42-M45 WeakPolarHBondContact O-CB 3.48Å; E42-M45 PolarHBondContact O-N 3.22Å; S43-M45 PolarHBondContact O-N 3.46Å
46L62.5Low62.7Low81 Ų81106.3 Ų106.342%0.42458%0.581SS.*SBendtrans-74.1143.5179-67.1170.9000111.4S43 R51S43-L46 PolarHBondContact O-N 3.07Å; L46-R51 HydrophobicContact CB-CG 4.3Å; L46-R51 PolarHBondContact O-NE 3.42Å; L46-R51 PolarHBondContact O-NH2 3.22Å
47P67.4Low62.1Low84 Ų84109.8 Ų109.855%0.54560%0.595SS.*  trans-60.7148.2173.9-21.732.3000111.9G49 F50 R51P47-G49 VanDerWaalsContact C-N 3.25Å; P47-G49 PolarHBondContact O-N 3.46Å; P47-F50 HydrophobicContact CB-CD2 4.25Å; P47-F50 HydrophobicContact CG-CD2 4.35Å; P47-F50 PolarHBondContact O-N 3.26Å; P47-R51 PolarHBondContact O-N 3.08Å
48A63Low62.1Low82 Ų82114.6 Ų114.668%0.67861%0.612SS**G310 helixtrans-51.7-36-170.700000115.1F50 R51A48-F50 VanDerWaalsContact C-N 3.3Å; A48-F50 PolarHBondContact O-N 3.23Å; A48-R51 PolarHBondContact O-N 2.72Å
49G58.9Low62.3Low68 Ų68112.8 Ų112.870%0.70161%0.614SS**G310 helixtrans-70.8-19.7177.400000115.1P47P47-G49 VanDerWaalsContact C-N 3.25Å; P47-G49 PolarHBondContact O-N 3.46Å
50F61.3Low62.6Low169 Ų169111.5 Ų111.574%0.74162%0.622SS**G310 helixtrans-97-3.7176.2-70.7-84.7000112.9P47 A48P47-F50 HydrophobicContact CB-CD2 4.25Å; P47-F50 HydrophobicContact CG-CD2 4.35Å; P47-F50 PolarHBondContact O-N 3.26Å; A48-F50 VanDerWaalsContact C-N 3.3Å; A48-F50 PolarHBondContact O-N 3.23Å
51R64.1Low62.5Low124 Ų124114.8 Ų114.847%0.46865%0.645SS.*SBendtrans-81.6-20.1173.2-60.1-179.5-169.2-132.8-5.7112.4A44 L46 P47 A48 K53A44-R51 PolarHBondContact O-NH2 3.48Å; L46-R51 HydrophobicContact CB-CG 4.3Å; L46-R51 PolarHBondContact O-NE 3.42Å; L46-R51 PolarHBondContact O-NH2 3.22Å; P47-R51 PolarHBondContact O-N 3.08Å; A48-R51 PolarHBondContact O-N 2.72Å; R51-K53 PolarHBondContact O-N 2.75Å
52Q59.2Low63.2Low140 Ų140112.5 Ų112.565%0.65464%0.641SS**  trans-80.4106.8-179.5-171.2174.7-39.100109.3D54Q52-D54 PolarHBondContact NE2-OD1 3.38Å; Q52-D54 PolarHBondContact O-N 2.74Å
53K58.2Low64.1Low93 Ų93111.4 Ų111.440%0.40465%0.646SS.*  trans-6898.8165.5-82.6179.3176.11760107.8D37 R51 Q55D37-K53 IonicContact OD2-NZ 2.76Å; D37-K53 PolarHBondContact OD2-NZ 3.4Å; R51-K53 PolarHBondContact O-N 2.75Å; K53-Q55 HydrophobicContact CB-CB 4.38Å; K53-Q55 HydrophobicContact CB-CG 4.05Å; K53-Q55 HydrophobicContact CG-CG 4.47Å; K53-Q55 PolarHBondContact O-N 3.02Å
54D56.1Low64.8Low133 Ų133117.7 Ų117.771%0.71167%0.67SS**  trans-71.563.2164.1-80-15.9000109.2Q52Q52-D54 PolarHBondContact NE2-OD1 3.38Å; Q52-D54 PolarHBondContact O-N 2.74Å
55Q57.9Low65.6Low138 Ų138119 Ų11965%0.64567%0.668SS**  trans-107.571.1179-69.9-1747.700109.1K53K53-Q55 HydrophobicContact CB-CB 4.38Å; K53-Q55 HydrophobicContact CB-CG 4.05Å; K53-Q55 HydrophobicContact CG-CG 4.47Å; K53-Q55 PolarHBondContact O-N 3.02Å
56T57Low66.5Low99 Ų99118.6 Ų118.661%0.60766%0.657SS**  trans-81.5126.5158.7116.40000107.1K58T56-K58 PolarHBondContact O-N 2.98Å; T56-K58 WeakPolarHBondContact OG1-CB 3.32Å; T56-K58 PolarHBondContact OG1-N 2.73Å; T56-K58 VanDerWaalsContact OG1-N 3.11Å; T56-K58 PolarHBondContact OG1-O 3.47Å
57Q60.6Low67.7Low180 Ų180121.6 Ų121.684%0.84167%0.669SS**  trans-69.9-3.9168.5-65.2-175.817.600112.3A59Q57-A59 PolarHBondContact O-N 2.96Å
58K66.8Low68.6Low173 Ų173123.9 Ų123.975%0.75267%0.672SS**SBendtrans-74.5124.9180-57.7-178.4178.6179.60108.2T56T56-K58 PolarHBondContact O-N 2.98Å; T56-K58 WeakPolarHBondContact OG1-CB 3.32Å; T56-K58 PolarHBondContact OG1-N 2.73Å; T56-K58 VanDerWaalsContact OG1-N 3.11Å; T56-K58 PolarHBondContact OG1-O 3.47Å
59A68.1Low69.6Low86 Ų86123.7 Ų123.771%0.71166%0.659SS**PPolyproline II helixtrans-56.1145.616900000109.8Q57 T61Q57-A59 PolarHBondContact O-N 2.96Å; A59-T61 PolarHBondContact O-N 3.31Å; A59-T61 VanDerWaalsContact O-N 3.12Å
60A69.6Low70.9Confident101 Ų101124.2 Ų124.284%0.83565%0.646SS**PPolyproline II helixtrans-52.8121.4177.800000109.7G62A60-G62 PolarHBondContact O-N 3.22Å
61T66.4Low72.3Confident142 Ų142122.5 Ų122.587%0.87164%0.641SS**  trans-79.924.3-169.2-9.80000113.1A59A59-T61 PolarHBondContact O-N 3.31Å; A59-T61 VanDerWaalsContact O-N 3.12Å
62G75.1Confident73.5Confident57 Ų57123.1 Ų123.159%0.58865%0.645SS**  trans72.8-175-175.500000113.7A60A60-G62 PolarHBondContact O-N 3.22Å
63P79Confident74.9Confident125 Ų125120.4 Ų120.481%0.81264%0.635SS**SBendtrans-64.1149.5174.527.6-33000111D65P63-D65 PolarHBondContact O-N 3.32Å
64F78.4Confident76.4Confident163 Ų163122.2 Ų122.272%0.71564%0.644SS**  trans-57.4116.6-179.5174.6-103000112R66 L69F64-R66 HydrophobicContact CE1-CB 3.81Å; F64-R66 HydrophobicContact CE1-CG 4.38Å; F64-R66 HydrophobicContact CZ-CB 4.22Å; F64-L69 HydrophobicContact CE2-CD2 3.71Å; F64-L69 HydrophobicContact CZ-CD2 4.08Å
65D82.3Confident78.2Confident91 Ų91121.7 Ų121.749%0.48764%0.636SS.*  trans-105.8107.3172.1-171.5-14.9000110.2P63 E67 H68 L69P63-D65 PolarHBondContact O-N 3.32Å; D65-E67 VanDerWaalsContact C-N 3.35Å; D65-E67 PolarHBondContact O-N 3.5Å; D65-E67 PolarHBondContact OD1-N 3.29Å; D65-E67 VanDerWaalsContact OD1-N 3.09Å; D65-H68 HydrophobicContact CB-CB 4.09Å; D65-L69 PolarHBondContact O-N 3.41Å
66R84.1Confident79.7Confident161 Ų161119 Ų11961%0.60862%0.623SS**Hα-helixtrans-65.8-36.5-176.6-176.2178.8176.9-84.7-1.3112.4F64 L70F64-R66 HydrophobicContact CE1-CB 3.81Å; F64-R66 HydrophobicContact CE1-CG 4.38Å; F64-R66 HydrophobicContact CZ-CB 4.22Å; R66-L70 HydrophobicContact CG-CD1 4.16Å; R66-L70 WeakPolarHBondContact O-CG 3.43Å; R66-L70 PolarHBondContact O-N 3.09Å; R66-L70 VanDerWaalsContact O-N 3.09Å
67E87.9Confident81Confident144 Ų144117.7 Ų117.767%0.67362%0.622SS**Hα-helixtrans-70.2-42.9-176.6-68.5-176.4176.300110.1D65 L69 L70 M71D65-E67 VanDerWaalsContact C-N 3.35Å; D65-E67 PolarHBondContact O-N 3.5Å; D65-E67 PolarHBondContact OD1-N 3.29Å; D65-E67 VanDerWaalsContact OD1-N 3.09Å; E67-L69 VanDerWaalsContact C-N 3.33Å; E67-L69 PolarHBondContact O-N 3.17Å; E67-L70 PolarHBondContact O-N 3.43Å; E67-M71 WeakPolarHBondContact O-CG 3.45Å; E67-M71 PolarHBondContact O-N 2.86Å
68H86.4Confident82.2Confident132 Ų132115.8 Ų115.861%0.61162%0.617SS**Hα-helixtrans-62.8-39.9177.1-140.578.7000112.5D65 M71 Y72D65-H68 HydrophobicContact CB-CB 4.09Å; H68-M71 PolarHBondContact O-N 3.45Å; H68-Y72 WeakPolarHBondContact O-CB 3.43Å; H68-Y72 PolarHBondContact O-N 3.05Å
69L83.7Confident83.4Confident78 Ų78114 Ų11441%0.40861%0.611SS.*Hα-helixtrans-64.2-43.5175.5179.263.8000111.9F64 D65 E67 Y72 L73F64-L69 HydrophobicContact CE2-CD2 3.71Å; F64-L69 HydrophobicContact CZ-CD2 4.08Å; D65-L69 PolarHBondContact O-N 3.41Å; E67-L69 VanDerWaalsContact C-N 3.33Å; E67-L69 PolarHBondContact O-N 3.17Å; L69-Y72 PolarHBondContact O-N 3.26Å; L69-L73 HydrophobicContact CD1-CD1 4.15Å; L69-L73 HydrophobicContact CD1-CG 4.16Å; L69-L73 HydrophobicContact CG-CD1 3.94Å; L69-L73 HydrophobicContact CG-CG 4.37Å; L69-L73 VanDerWaalsContact O-CG 3.29Å; L69-L73 WeakPolarHBondContact O-CG 3.07Å; L69-L73 PolarHBondContact O-N 3.28Å
70L86.8Confident84.2Confident80 Ų80116.7 Ų116.742%0.41961%0.609SS.*Hα-helixtrans-63.1-43.3178.8-75.2168.5000111.6R66 E67 Y72 L73 E74R66-L70 HydrophobicContact CG-CD1 4.16Å; R66-L70 WeakPolarHBondContact O-CG 3.43Å; R66-L70 PolarHBondContact O-N 3.09Å; R66-L70 VanDerWaalsContact O-N 3.09Å; E67-L70 PolarHBondContact O-N 3.43Å; L70-Y72 VanDerWaalsContact C-N 3.32Å; L70-Y72 PolarHBondContact O-N 3.35Å; L70-L73 PolarHBondContact O-N 3.25Å; L70-E74 WeakPolarHBondContact O-CB 2.91Å; L70-E74 PolarHBondContact O-N 2.98Å
71M90.6Very high84.7Confident132 Ų132121.2 Ų121.265%0.6561%0.61SS**Hα-helixtrans-62.6-39.1175.8-69.5-176.475.600112.3E67 H68 K75E67-M71 WeakPolarHBondContact O-CG 3.45Å; E67-M71 PolarHBondContact O-N 2.86Å; H68-M71 PolarHBondContact O-N 3.45Å; M71-K75 VanDerWaalsContact O-CB 3.32Å; M71-K75 WeakPolarHBondContact O-CB 3.3Å; M71-K75 PolarHBondContact O-N 2.93Å
72Y89.3Confident85.3Confident137 Ų137122.1 Ų122.154%0.53761%0.61SS.*Hα-helixtrans-64.1-47.9175.6176.2-98.6000111.7H68 L69 L70 E74 K75 E76H68-Y72 WeakPolarHBondContact O-CB 3.43Å; H68-Y72 PolarHBondContact O-N 3.05Å; L69-Y72 PolarHBondContact O-N 3.26Å; L70-Y72 VanDerWaalsContact C-N 3.32Å; L70-Y72 PolarHBondContact O-N 3.35Å; Y72-E74 PolarHBondContact O-N 3.07Å; Y72-K75 PolarHBondContact O-N 3.27Å; Y72-E76 VanDerWaalsContact CE1-OE2 3.27Å; Y72-E76 WeakPolarHBondContact CE1-OE2 3.33Å; Y72-E76 WeakPolarHBondContact O-CB 3.37Å; Y72-E76 PolarHBondContact O-N 2.84Å
73L87.9Confident85.5Confident84 Ų84129.2 Ų129.244%0.4462%0.619SS.*Hα-helixtrans-65-38.9-179.9-70.1172.3000112.4L69 L70 E76 A77L69-L73 HydrophobicContact CD1-CD1 4.15Å; L69-L73 HydrophobicContact CD1-CG 4.16Å; L69-L73 HydrophobicContact CG-CD1 3.94Å; L69-L73 HydrophobicContact CG-CG 4.37Å; L69-L73 VanDerWaalsContact O-CG 3.29Å; L69-L73 WeakPolarHBondContact O-CG 3.07Å; L69-L73 PolarHBondContact O-N 3.28Å; L70-L73 PolarHBondContact O-N 3.25Å; L73-E76 PolarHBondContact O-N 3.24Å; L73-A77 VanDerWaalsContact O-CB 3.27Å; L73-A77 WeakPolarHBondContact O-CB 3.49Å; L73-A77 PolarHBondContact O-N 3.02Å
74E91.1Very high85.3Confident130 Ų130131.7 Ų131.761%0.60762%0.619SS**Hα-helixtrans-65-43.4175.9-173.8171.5-158.600111L70 Y72 A77 L78L70-E74 WeakPolarHBondContact O-CB 2.91Å; L70-E74 PolarHBondContact O-N 2.98Å; Y72-E74 PolarHBondContact O-N 3.07Å; E74-A77 PolarHBondContact O-N 2.83Å; E74-L78 HydrophobicContact CG-CD1 4.14Å; E74-L78 WeakPolarHBondContact O-CB 3.05Å; E74-L78 WeakPolarHBondContact O-CD1 3.36Å; E74-L78 PolarHBondContact O-N 3.5Å
75K92.4Very high84.9Confident123 Ų123130 Ų13054%0.53562%0.618SS.*Hα-helixtrans-63.4-44.4175.5-175.6179.3174.5-1770112.1M71 Y72 L78 E79M71-K75 VanDerWaalsContact O-CB 3.32Å; M71-K75 WeakPolarHBondContact O-CB 3.3Å; M71-K75 PolarHBondContact O-N 2.93Å; Y72-K75 PolarHBondContact O-N 3.27Å; K75-L78 PolarHBondContact O-N 3.31Å; K75-E79 WeakPolarHBondContact CE-OE1 3.44Å; K75-E79 IonicContact NZ-OE1 3.87Å; K75-E79 WeakPolarHBondContact O-CB 3.36Å; K75-E79 WeakPolarHBondContact O-CG 3.47Å; K75-E79 PolarHBondContact O-N 3.22Å
76E90.2Very high84.3Confident82 Ų82134.6 Ų134.638%0.38363%0.634SS.*Hα-helixtrans-64-41.9178.2-169.2176-16500111.3Y72 L73 L78 E79 Q80Y72-E76 VanDerWaalsContact CE1-OE2 3.27Å; Y72-E76 WeakPolarHBondContact CE1-OE2 3.33Å; Y72-E76 WeakPolarHBondContact O-CB 3.37Å; Y72-E76 PolarHBondContact O-N 2.84Å; L73-E76 PolarHBondContact O-N 3.24Å; E76-L78 VanDerWaalsContact C-N 3.31Å; E76-L78 PolarHBondContact O-N 3.29Å; E76-E79 PolarHBondContact O-N 3.41Å; E76-Q80 VanDerWaalsContact O-CB 3.3Å; E76-Q80 WeakPolarHBondContact O-CB 3.32Å; E76-Q80 PolarHBondContact O-N 3.39Å
77A84.5Confident83.8Confident71 Ų71132.6 Ų132.659%0.58764%0.639SS**Hα-helixtrans-63.8-33.6175.600000113.1L73 E74L73-A77 VanDerWaalsContact O-CB 3.27Å; L73-A77 WeakPolarHBondContact O-CB 3.49Å; L73-A77 PolarHBondContact O-N 3.02Å; E74-A77 PolarHBondContact O-N 2.83Å
78L86.4Confident82.9Confident140 Ų140130.3 Ų130.373%0.73364%0.637SS**Hα-helixtrans-75.2-34.5175.5-86.5153.2000113.1E74 K75 E76E74-L78 HydrophobicContact CG-CD1 4.14Å; E74-L78 WeakPolarHBondContact O-CB 3.05Å; E74-L78 WeakPolarHBondContact O-CD1 3.36Å; E74-L78 PolarHBondContact O-N 3.5Å; K75-L78 PolarHBondContact O-N 3.31Å; E76-L78 VanDerWaalsContact C-N 3.31Å; E76-L78 PolarHBondContact O-N 3.29Å
79E90.8Very high82.1Confident135 Ų135132.9 Ų132.963%0.63165%0.647SS**Hα-helixtrans-82.5-27.3-179-75.1178.6178.500112.8K75 E76 K81K75-E79 WeakPolarHBondContact CE-OE1 3.44Å; K75-E79 IonicContact NZ-OE1 3.87Å; K75-E79 WeakPolarHBondContact O-CB 3.36Å; K75-E79 WeakPolarHBondContact O-CG 3.47Å; K75-E79 PolarHBondContact O-N 3.22Å; E76-E79 PolarHBondContact O-N 3.41Å; E79-K81 PolarHBondContact O-N 3.46Å
80Q85.2Confident81.5Confident142 Ų142133.8 Ų133.866%0.66466%0.656SS**SBendtrans-71.4114.9178.8-167.3164.314.500110.4E76 D82E76-Q80 VanDerWaalsContact O-CB 3.3Å; E76-Q80 WeakPolarHBondContact O-CB 3.32Å; E76-Q80 PolarHBondContact O-N 3.39Å; Q80-D82 PolarHBondContact O-N 2.95Å
81K81.2Confident80.7Confident197 Ų197132.4 Ų132.486%0.85766%0.661SS**PPolyproline II helixtrans-63.5134.3177.7-68.9-176.8178.6179.60110.7E79 R83E79-K81 PolarHBondContact O-N 3.46Å; K81-R83 PolarHBondContact O-N 3.17Å
82D77.4Confident79.8Confident161 Ų161132.8 Ų132.886%0.86166%0.661SS**PPolyproline II helixtrans-55.7137.1170.2-77.3-26.7000110.6Q80 E84Q80-D82 PolarHBondContact O-N 2.95Å; D82-E84 PolarHBondContact O-N 3.31Å
83R79.6Confident78.8Confident206 Ų206136.2 Ų136.278%0.77768%0.678SS**PPolyproline II helixtrans-66.7132.9175.2-177.4179.4-179.91752.6109.1K81 D85K81-R83 PolarHBondContact O-N 3.17Å; R83-D85 PolarHBondContact O-N 3.44Å
84E75.2Confident77.6Confident176 Ų176141.1 Ų141.182%0.82270%0.696SS**PPolyproline II helixtrans-62.4127.4174.9-65.9-177.2178.800111D82 F86D82-E84 PolarHBondContact O-N 3.31Å; E84-F86 PolarHBondContact O-N 2.81Å
85D69.9Low76.4Confident129 Ų129138.1 Ų138.169%0.6970%0.7SS**PPolyproline II helixtrans-68.5125.8173.1-76.8-27.8000110.1R83 V87R83-D85 PolarHBondContact O-N 3.44Å; D85-V87 PolarHBondContact O-N 3.43Å
86F70.5Confident75.5Confident187 Ų187144.2 Ų144.282%0.8272%0.72SS**SBendtrans-60.4-15.8175.6-80.9-86.4000113.6E84E84-F86 PolarHBondContact O-N 2.81Å
87V72Confident74.6Confident118 Ų118146.4 Ų146.472%0.71574%0.739SS**SBendtrans-132.6110.1175-175.70000107.9D85 F89D85-V87 PolarHBondContact O-N 3.43Å; V87-F89 PolarHBondContact O-N 3.11Å
88P69.9Low74Confident97 Ų97150.8 Ų150.863%0.6375%0.745SS**  trans-62.3132.9-177.721-29.4000110.7T90P88-T90 PolarHBondContact O-N 3.49Å
89F68.6Low73.4Confident185 Ų185150.8 Ų150.881%0.81174%0.744SS**  trans-62.3108.4175179.1-103.9000109.7V87 G91V87-F89 PolarHBondContact O-N 3.11Å; F89-G91 VanDerWaalsContact C-N 3.29Å; F89-G91 PolarHBondContact O-N 3.22Å
90T72Confident72.5Confident98 Ų98148.8 Ų148.860%0.60174%0.743SS**  trans-80.8-3.7-173.341.40000113.7P88 E92P88-T90 PolarHBondContact O-N 3.49Å; T90-E92 PolarHBondContact O-N 2.91Å
91G69.3Low71.7Confident51 Ų51151.1 Ų151.153%0.52675%0.751SS.*  trans65.9-11.6-177.600000115.2F89 K93F89-G91 VanDerWaalsContact C-N 3.29Å; F89-G91 PolarHBondContact O-N 3.22Å; G91-K93 PolarHBondContact O-N 3.07Å
92E73.2Confident70.9Confident139 Ų139150.6 Ų150.665%0.6575%0.751SS**  trans-75.6114.5176.9-65.6-175.316800110.3T90 K94T90-E92 PolarHBondContact O-N 2.91Å; E92-K94 VanDerWaalsContact C-N 3.3Å; E92-K94 PolarHBondContact O-N 3.18Å
93K66.8Low69.8Low209 Ų209152.1 Ų152.191%0.90975%0.75SS**  trans-66.490.6166.4-76.2-176.61781770109.1G91 G95G91-K93 PolarHBondContact O-N 3.07Å; K93-G95 PolarHBondContact O-N 3.38Å
94K62.8Low68.6Low188 Ų188145.9 Ų145.982%0.81774%0.737SS**  trans-71108.7168.9-78.1-174.5178.2175.50109.7E92E92-K94 VanDerWaalsContact C-N 3.3Å; E92-K94 PolarHBondContact O-N 3.18Å
95G67.1Low67.8Low67 Ų67143.7 Ų143.769%0.69174%0.735SS**SBendtrans160.2154.8176.200000111.1K93K93-G95 PolarHBondContact O-N 3.38Å
96R73.4Confident67Low250 Ų250143.8 Ų143.894%0.94373%0.731SS**  trans-66.8135.6169.3-65.4-174.9-179.9-160.5-0.4108.1F98R96-F98 PolarHBondContact O-N 2.89Å; R96-F98 VanDerWaalsContact O-N 3.14Å
97V70.5Confident66.4Low128 Ų128140.7 Ų140.778%0.77673%0.727SS**  trans-51.4124.1169.9179.20000107.1I99V97-I99 PolarHBondContact O-N 3.41Å
98F72.2Confident65.6Low164 Ų164143.3 Ų143.372%0.71973%0.725SS**  trans-60.8108.2178.1175.3-100.2000108.3R96 P100R96-F98 PolarHBondContact O-N 2.89Å; R96-F98 VanDerWaalsContact O-N 3.14Å; F98-P100 HydrophobicContact CD1-CG 4.33Å; F98-P100 HydrophobicContact CE1-CB 4.17Å; F98-P100 HydrophobicContact CE1-CG 4.12Å; F98-P100 WeakPolarHBondContact O-CD 3.37Å
99I72.8Confident65Low140 Ų140148.2 Ų148.272%0.71874%0.736SS**PPolyproline II helixtrans-84.4116.1167.9-58.7172.2000105.2V97 K101V97-I99 PolarHBondContact O-N 3.41Å; I99-K101 PolarHBondContact O-N 3.42Å; I99-K101 VanDerWaalsContact O-N 3.13Å
100P71.9Confident64.4Low92 Ų92146.4 Ų146.460%0.59773%0.73SS**PPolyproline II helixtrans-55122.7173.8-21.832.9000108.7F98 E102F98-P100 HydrophobicContact CD1-CG 4.33Å; F98-P100 HydrophobicContact CE1-CB 4.17Å; F98-P100 HydrophobicContact CE1-CG 4.12Å; F98-P100 WeakPolarHBondContact O-CD 3.37Å; P100-E102 PolarHBondContact O-N 3.04Å
101K68.3Low63.6Low191 Ų191150.6 Ų150.683%0.8374%0.743SS**PPolyproline II helixtrans-58.6126.5173.1-64.7-177.7-179.8-1780107.6I99 K103I99-K101 PolarHBondContact O-N 3.42Å; I99-K101 VanDerWaalsContact O-N 3.13Å; K101-K103 PolarHBondContact O-N 2.85Å; K101-K103 VanDerWaalsContact O-N 3.07Å
102E64.5Low63.1Low187 Ų187157 Ų15787%0.87476%0.756SS**PPolyproline II helixtrans-54.2118.5170-70.7-176.3168.600107.6P100P100-E102 PolarHBondContact O-N 3.04Å
103K55.4Low62.6Low192 Ų192156.7 Ų156.784%0.83576%0.763SS**PPolyproline II helixtrans-66.9126.5176.5-69.2-177.5-179.6179.30106.6K101K101-K103 PolarHBondContact O-N 2.85Å; K101-K103 VanDerWaalsContact O-N 3.07Å
104P55Low62.8Low76 Ų76151.7 Ų151.749%0.49475%0.751SS.*PPolyproline II helixtrans-58.5148.5175.6-12.223.1000109.7E106 F176P104-E106 PolarHBondContact O-N 3.27Å; P104-F176 HydrophobicContact CB-CD1 3.53Å; P104-F176 HydrophobicContact CB-CE1 3.92Å; P104-F176 HydrophobicContact CB-CG 4.19Å; P104-F176 HydrophobicContact CG-CB 4.29Å; P104-F176 HydrophobicContact CG-CD1 3.64Å; P104-F176 HydrophobicContact CG-CD2 4.45Å; P104-F176 HydrophobicContact CG-CE1 3.98Å; P104-F176 HydrophobicContact CG-CG 3.87Å; P104-F176 WeakPolarHBondContact O-CE1 3.36Å
105V57.5Low63.2Low129 Ų129146.5 Ų146.578%0.78273%0.732SS**PPolyproline II helixtrans-56.9121.3-179.8179.80000109.3T107V105-T107 PolarHBondContact O-N 2.96Å; V105-T107 VanDerWaalsContact O-N 3.14Å
106E54Low64Low132 Ų132148.6 Ų148.662%0.61773%0.727SS**  trans-68.3107.1-179.5-152.9167-147.100108.9P104 P174P104-E106 PolarHBondContact O-N 3.27Å; E106-P174 HydrophobicContact CG-CB 4.04Å; E106-P174 HydrophobicContact CG-CG 4.49Å
107T57.5Low64.4Low121 Ų121141.6 Ų141.674%0.74271%0.714SS**  trans-83.2-15.6-176.5440000113.3V105V105-T107 PolarHBondContact O-N 2.96Å; V105-T107 VanDerWaalsContact O-N 3.14Å
108R54.2Low64.8Low174 Ų174143.2 Ų143.266%0.65771%0.713SS**  trans-97.6112.2174.6-93.7-177.3167.9175.3-3.5110.7
109K57.4Low65.1Low200 Ų200139.7 Ų139.787%0.8770%0.701SS**  trans-78.9118.9160-68.9179.6178.91780107.3E111K109-E111 PolarHBondContact O-N 3.31Å
110E56.1Low65.3Low146 Ų146137.8 Ų137.868%0.68269%0.689SS**  trans-57.2127.7166.2-69.2-179.316400108.1K112E110-K112 PolarHBondContact O-N 2.98Å
111E55.4Low65.8Low187 Ų187140.2 Ų140.287%0.87469%0.693SS**  trans-64.9106.9164.1-80.5-176.5163.800106.6K109 V113K109-E111 PolarHBondContact O-N 3.31Å; E111-V113 PolarHBondContact O-N 3.18Å
112K59.2Low66.3Low184 Ų184133.6 Ų133.680%0.867%0.673SS**  trans-62110.3166.4-77.9-175177.1-175.90106.6E110 T114E110-K112 PolarHBondContact O-N 2.98Å; K112-T114 VanDerWaalsContact C-N 3.26Å; K112-T114 HydrophobicContact CB-CG2 4.37Å; K112-T114 PolarHBondContact O-N 3.27Å
113V63.7Low66.9Low133 Ų133128.5 Ų128.581%0.80665%0.651SS**  trans-68.994.2164.2-177.10000105.9E111E111-V113 PolarHBondContact O-N 3.18Å
114T70.1Confident68Low105 Ų105123.6 Ų123.664%0.64465%0.647SS**PPolyproline II helixtrans-80.6127.817049.80000107.5K112K112-T114 VanDerWaalsContact C-N 3.26Å; K112-T114 HydrophobicContact CB-CG2 4.37Å; K112-T114 PolarHBondContact O-N 3.27Å
115L71.6Confident69.2Low79 Ų79124.4 Ų124.441%0.41465%0.654SS.*PPolyproline II helixtrans-74.5158.9169.6-64.9172000108.4L119 E120 L123L115-L119 HydrophobicContact CB-CB 4.29Å; L115-E120 HydrophobicContact CB-CG 3.68Å; L115-L123 HydrophobicContact CD1-CD1 3.5Å
116D82.8Confident70.3Confident110 Ų110119.3 Ų119.359%0.58863%0.626SS**PPolyproline II helixtrans-58.8143.1172.2-66.1-38.9000109.5E118 L119 E120D116-E118 PolarHBondContact O-N 3.49Å; D116-E118 VanDerWaalsContact O-N 3.08Å; D116-L119 HydrophobicContact CB-CD1 4.16Å; D116-L119 HydrophobicContact CB-CG 4.38Å; D116-L119 WeakPolarHBondContact O-CA 3.5Å; D116-L119 WeakPolarHBondContact O-CB 3.41Å; D116-L119 PolarHBondContact O-N 3.17Å; D116-E120 PolarHBondContact O-N 3.2Å; D116-E120 VanDerWaalsContact O-N 3.08Å
117P81.8Confident71.5Confident103 Ų103115.2 Ų115.267%0.66961%0.612SS**Hα-helixtrans-54.5-35.2-174.2-27.134.1000113.7L119 E120 E121P117-L119 VanDerWaalsContact C-N 3.33Å; P117-L119 PolarHBondContact O-N 3.41Å; P117-E120 PolarHBondContact O-N 3.41Å; P117-E121 WeakPolarHBondContact O-CB 3.47Å; P117-E121 PolarHBondContact O-N 3.07Å
118E79.6Confident72.3Confident163 Ų163112.5 Ų112.576%0.76259%0.593SS**Hα-helixtrans-65.4-35.5176.8-63.3-179179.100112.2D116 A122D116-E118 PolarHBondContact O-N 3.49Å; D116-E118 VanDerWaalsContact O-N 3.08Å; E118-A122 VanDerWaalsContact O-CB 3.24Å; E118-A122 WeakPolarHBondContact O-CB 3.21Å; E118-A122 PolarHBondContact O-N 3.31Å
119L77.8Confident73.4Confident89 Ų89108.8 Ų108.847%0.46659%0.589SS.*Hα-helixtrans-75.9-36.3177.7-67.5172000111.7L115 D116 P117 L123L115-L119 HydrophobicContact CB-CB 4.29Å; D116-L119 HydrophobicContact CB-CD1 4.16Å; D116-L119 HydrophobicContact CB-CG 4.38Å; D116-L119 WeakPolarHBondContact O-CA 3.5Å; D116-L119 WeakPolarHBondContact O-CB 3.41Å; D116-L119 PolarHBondContact O-N 3.17Å; P117-L119 VanDerWaalsContact C-N 3.33Å; P117-L119 PolarHBondContact O-N 3.41Å; L119-L123 WeakPolarHBondContact O-CB 3.33Å; L119-L123 VanDerWaalsContact O-CG 3.28Å; L119-L123 WeakPolarHBondContact O-CG 3.29Å; L119-L123 PolarHBondContact O-N 3.25Å
120E78.1Confident74.5Confident100 Ų100104.1 Ų104.147%0.46757%0.571SS.*Hα-helixtrans-64.9-42.4173.9-67.5-165.6165.800111.5L115 D116 P117 L123 A124L115-E120 HydrophobicContact CB-CG 3.68Å; D116-E120 PolarHBondContact O-N 3.2Å; D116-E120 VanDerWaalsContact O-N 3.08Å; P117-E120 PolarHBondContact O-N 3.41Å; E120-L123 PolarHBondContact O-N 2.96Å; E120-A124 VanDerWaalsContact O-CB 3.26Å; E120-A124 WeakPolarHBondContact O-CB 3.5Å; E120-A124 PolarHBondContact O-N 2.93Å
121E81.3Confident75.5Confident144 Ų14499.2 Ų99.267%0.67355%0.549SS*.Hα-helixtrans-66.7-43175.7-173.1173.8-175.900111.7P117 L123 A124 S125P117-E121 WeakPolarHBondContact O-CB 3.47Å; P117-E121 PolarHBondContact O-N 3.07Å; E121-L123 PolarHBondContact O-N 3.22Å; E121-A124 PolarHBondContact O-N 2.89Å; E121-S125 WeakPolarHBondContact O-CB 3.47Å; E121-S125 PolarHBondContact O-N 2.99Å; E121-S125 PolarHBondContact O-OG 3.19Å
122A79.3Confident76.4Confident51 Ų5194.4 Ų94.442%0.42152%0.524SS..Hα-helixtrans-59.8-45.9174.600000111.7E118 A124 S125 A126E118-A122 VanDerWaalsContact O-CB 3.24Å; E118-A122 WeakPolarHBondContact O-CB 3.21Å; E118-A122 PolarHBondContact O-N 3.31Å; A122-A124 PolarHBondContact O-N 2.91Å; A122-S125 PolarHBondContact O-N 3.37Å; A122-S125 PolarHBondContact O-OG 3.19Å; A122-A126 WeakPolarHBondContact O-CB 3.11Å; A122-A126 PolarHBondContact O-N 3.26Å
123L77.2Confident77.4Confident80 Ų8090.9 Ų90.942%0.41951%0.514SS..Hα-helixtrans-66.7-35.7177.2-76.6166.3000113L115 L119 E120 E121 S125 L131L115-L123 HydrophobicContact CD1-CD1 3.5Å; L119-L123 WeakPolarHBondContact O-CB 3.33Å; L119-L123 VanDerWaalsContact O-CG 3.28Å; L119-L123 WeakPolarHBondContact O-CG 3.29Å; L119-L123 PolarHBondContact O-N 3.25Å; E120-L123 PolarHBondContact O-N 2.96Å; E121-L123 PolarHBondContact O-N 3.22Å; L123-S125 VanDerWaalsContact C-N 3.35Å; L123-L131 HydrophobicContact CD2-CD2 4.15Å
124A78.3Confident78Confident89 Ų8988.6 Ų88.674%0.73650%0.496SS*.Hα-helixtrans-73.6-26.6178.100000113.3E120 E121 A122E120-A124 VanDerWaalsContact O-CB 3.26Å; E120-A124 WeakPolarHBondContact O-CB 3.5Å; E120-A124 PolarHBondContact O-N 2.93Å; E121-A124 PolarHBondContact O-N 2.89Å; A122-A124 PolarHBondContact O-N 2.91Å
125S81.3Confident78.2Confident93 Ų9384 Ų8465%0.6547%0.469SS*.Hα-helixtrans-94.8-15.6179.167.80000114.1E121 A122 L123E121-S125 WeakPolarHBondContact O-CB 3.47Å; E121-S125 PolarHBondContact O-N 2.99Å; E121-S125 PolarHBondContact O-OG 3.19Å; A122-S125 PolarHBondContact O-N 3.37Å; A122-S125 PolarHBondContact O-OG 3.19Å; L123-S125 VanDerWaalsContact C-N 3.35Å
126A79.6Confident78.4Confident23 Ų2383 Ų8319%0.1947%0.472CS..  trans-60.8140.1-179.700000112.2A122 L131A122-A126 WeakPolarHBondContact O-CB 3.11Å; A122-A126 PolarHBondContact O-N 3.26Å; A126-L131 HydrophobicContact CB-CD2 4.35Å; A126-L131 HydrophobicContact CB-CG 4.07Å
127S79.1Confident78.3Confident46 Ų4683.9 Ų83.932%0.32248%0.481SS..  trans-72.7157.4172.563.50000111.5T129 E130 L131S127-T129 PolarHBondContact O-N 3Å; S127-T129 PolarHBondContact OG-OG1 2.84Å; S127-T129 VanDerWaalsContact OG-OG1 3.08Å; S127-E130 WeakPolarHBondContact CB-OE2 3.25Å; S127-E130 PolarHBondContact N-OE2 3.47Å; S127-E130 PolarHBondContact O-N 3.26Å; S127-E130 VanDerWaalsContact O-N 3.09Å; S127-E130 VanDerWaalsContact OG-CG 3.24Å; S127-E130 WeakPolarHBondContact OG-CG 3.48Å; S127-E130 PolarHBondContact OG-N 2.96Å; S127-E130 PolarHBondContact OG-OE2 3.45Å; S127-L131 PolarHBondContact O-N 3.43Å
128D74.4Confident78.1Confident63 Ų6385 Ų8534%0.33748%0.481SS..Hα-helixtrans-57.5-36.2179.4-62.4-43.9000112.1L131 Y132 P162D128-L131 PolarHBondContact O-N 3.26Å; D128-Y132 HydrophobicContact CB-CE2 4.47Å; D128-Y132 WeakPolarHBondContact O-CD2 3.37Å; D128-Y132 PolarHBondContact O-N 2.82Å; D128-P162 HydrophobicContact CB-CG 4.16Å; D128-P162 VanDerWaalsContact CG-CD 3.42Å; D128-P162 WeakPolarHBondContact OD1-CD 3.39Å; D128-P162 WeakPolarHBondContact OD2-CD 3.43Å; D128-P162 WeakPolarHBondContact OD2-CG 3.16Å
129T78.3Confident77.6Confident96 Ų9679.7 Ų79.759%0.58947%0.47SS*.Hα-helixtrans-64.4-43.2176.444.10000112.5S127 L131 Y132 D133S127-T129 PolarHBondContact O-N 3Å; S127-T129 PolarHBondContact OG-OG1 2.84Å; S127-T129 VanDerWaalsContact OG-OG1 3.08Å; T129-L131 VanDerWaalsContact C-N 3.3Å; T129-L131 PolarHBondContact O-N 3.14Å; T129-Y132 PolarHBondContact O-N 3Å; T129-D133 PolarHBondContact O-N 3.45Å
130E79.4Confident77.2Confident103 Ų10378.4 Ų78.448%0.48147%0.465SS..Hα-helixtrans-67-34.8177.1-69.8162.915000111.1S127 D133 L134S127-E130 WeakPolarHBondContact CB-OE2 3.25Å; S127-E130 PolarHBondContact N-OE2 3.47Å; S127-E130 PolarHBondContact O-N 3.26Å; S127-E130 VanDerWaalsContact O-N 3.09Å; S127-E130 VanDerWaalsContact OG-CG 3.24Å; S127-E130 WeakPolarHBondContact OG-CG 3.48Å; S127-E130 PolarHBondContact OG-N 2.96Å; S127-E130 PolarHBondContact OG-OE2 3.45Å; E130-D133 PolarHBondContact O-N 2.76Å; E130-L134 VanDerWaalsContact O-CB 3.32Å; E130-L134 WeakPolarHBondContact O-CB 3.47Å; E130-L134 WeakPolarHBondContact O-CG 3.48Å; E130-L134 PolarHBondContact O-N 2.85Å
131L77.4Confident76.7Confident43 Ų4378.1 Ų78.123%0.22546%0.464CS..Hα-helixtrans-66.5-39.8174-73.6163.7000112.3L123 A126 S127 D128 T129 A135L123-L131 HydrophobicContact CD2-CD2 4.15Å; A126-L131 HydrophobicContact CB-CD2 4.35Å; A126-L131 HydrophobicContact CB-CG 4.07Å; S127-L131 PolarHBondContact O-N 3.43Å; D128-L131 PolarHBondContact O-N 3.26Å; T129-L131 VanDerWaalsContact C-N 3.3Å; T129-L131 PolarHBondContact O-N 3.14Å; L131-A135 VanDerWaalsContact O-CB 3.31Å; L131-A135 WeakPolarHBondContact O-CB 3.32Å; L131-A135 PolarHBondContact O-N 3.34Å
132Y75.1Confident75.8Confident86 Ų8677.8 Ų77.834%0.33747%0.466SS..Hα-helixtrans-65.3-42.3173.5-79.3-66.7000112.1D128 T129 A135 A136 L144D128-Y132 HydrophobicContact CB-CE2 4.47Å; D128-Y132 WeakPolarHBondContact O-CD2 3.37Å; D128-Y132 PolarHBondContact O-N 2.82Å; T129-Y132 PolarHBondContact O-N 3Å; Y132-A135 PolarHBondContact O-N 2.96Å; Y132-A136 WeakPolarHBondContact O-CB 3.48Å; Y132-A136 PolarHBondContact O-N 3.44Å; Y132-L144 HydrophobicContact CD1-CB 4.24Å; Y132-L144 HydrophobicContact CD1-CD1 3.63Å; Y132-L144 HydrophobicContact CE1-CB 3.74Å; Y132-L144 HydrophobicContact CE1-CD1 3.92Å; Y132-L144 HydrophobicContact CE1-CG 4.45Å; Y132-L144 HydrophobicContact CG-CD1 4.41Å
133D79.4Confident74.8Confident110 Ų11079.2 Ų79.259%0.58847%0.467SS*.Hα-helixtrans-65.3-43.8177.4-72.6-19.7000111.3T129 E130 A135 A136 V137T129-D133 PolarHBondContact O-N 3.45Å; E130-D133 PolarHBondContact O-N 2.76Å; D133-A135 VanDerWaalsContact C-N 3.33Å; D133-A135 PolarHBondContact O-N 3.46Å; D133-A136 WeakPolarHBondContact O-CB 3.42Å; D133-A136 PolarHBondContact O-N 3.29Å; D133-V137 WeakPolarHBondContact O-CG2 3.34Å; D133-V137 PolarHBondContact O-N 2.9Å
134L76.6Confident74Confident85 Ų8576.9 Ų76.945%0.44545%0.454SS..Hα-helixtrans-59.3-43.9173.2-77.2168.3000111.6E130 A136 V137 L138E130-L134 VanDerWaalsContact O-CB 3.32Å; E130-L134 WeakPolarHBondContact O-CB 3.47Å; E130-L134 WeakPolarHBondContact O-CG 3.48Å; E130-L134 PolarHBondContact O-N 2.85Å; L134-A136 VanDerWaalsContact C-N 3.32Å; L134-A136 PolarHBondContact O-N 3.48Å; L134-V137 PolarHBondContact O-N 3.27Å; L134-L138 VanDerWaalsContact O-CB 3.32Å; L134-L138 WeakPolarHBondContact O-CB 3.4Å; L134-L138 WeakPolarHBondContact O-CD1 3.43Å; L134-L138 VanDerWaalsContact O-CG 3.31Å; L134-L138 WeakPolarHBondContact O-CG 3.45Å; L134-L138 PolarHBondContact O-N 3.11Å
135A73.9Confident72.9Confident8 Ų877.8 Ų77.87%0.06645%0.447CS..Hα-helixtrans-68.2-30.8177.100000113.3L131 Y132 D133 G139 V140 H141 L144L131-A135 VanDerWaalsContact O-CB 3.31Å; L131-A135 WeakPolarHBondContact O-CB 3.32Å; L131-A135 PolarHBondContact O-N 3.34Å; Y132-A135 PolarHBondContact O-N 2.96Å; D133-A135 VanDerWaalsContact C-N 3.33Å; D133-A135 PolarHBondContact O-N 3.46Å; A135-G139 CarbonylContact O-C 3.59Å; A135-G139 PolarHBondContact O-N 2.95Å; A135-G139 VanDerWaalsContact O-N 3.08Å; A135-V140 HydrophobicContact CB-CG2 3.87Å; A135-V140 PolarHBondContact O-N 2.68Å; A135-H141 PolarHBondContact O-N 2.92Å; A135-H141 VanDerWaalsContact O-N 3.12Å; A135-L144 HydrophobicContact CB-CD1 3.21Å; A135-L144 HydrophobicContact CB-CG 4.19Å
136A76.7Confident71.5Confident57 Ų5779 Ų7947%0.47145%0.446SS..Hα-helixtrans-67.7-45.8172.100000111.1Y132 D133 L134 L138 G139Y132-A136 WeakPolarHBondContact O-CB 3.48Å; Y132-A136 PolarHBondContact O-N 3.44Å; D133-A136 WeakPolarHBondContact O-CB 3.42Å; D133-A136 PolarHBondContact O-N 3.29Å; L134-A136 VanDerWaalsContact C-N 3.32Å; L134-A136 PolarHBondContact O-N 3.48Å; A136-L138 VanDerWaalsContact C-N 3.33Å; A136-L138 PolarHBondContact O-N 3.17Å; A136-G139 PolarHBondContact O-N 3.02Å; A136-G139 VanDerWaalsContact O-N 3.13Å
137V80Confident70Confident129 Ų12982.9 Ų82.978%0.78247%0.469SS*.Hα-helixtrans-62.1-39.8176172.70000111.6D133 L134 G139D133-V137 WeakPolarHBondContact O-CG2 3.34Å; D133-V137 PolarHBondContact O-N 2.9Å; L134-V137 PolarHBondContact O-N 3.27Å; V137-G139 VanDerWaalsContact C-N 3.27Å; V137-G139 PolarHBondContact O-N 3.09Å
138L76.3Confident68.3Low128 Ų12889.7 Ų89.767%0.6749%0.493SS*.THydrogen-bonded Turntrans-79.7-4.7177.6-71.3165.1000113.6L134 A136 V140L134-L138 VanDerWaalsContact O-CB 3.32Å; L134-L138 WeakPolarHBondContact O-CB 3.4Å; L134-L138 WeakPolarHBondContact O-CD1 3.43Å; L134-L138 VanDerWaalsContact O-CG 3.31Å; L134-L138 WeakPolarHBondContact O-CG 3.45Å; L134-L138 PolarHBondContact O-N 3.11Å; A136-L138 VanDerWaalsContact C-N 3.33Å; A136-L138 PolarHBondContact O-N 3.17Å; L138-V140 HydrophobicContact CB-CG2 3.89Å; L138-V140 PolarHBondContact O-N 3.29Å
139G71Confident66.7Low51 Ų5195 Ų9553%0.52651%0.513SS..THydrogen-bonded Turntrans70.415-17900000115A135 A136 V137A135-G139 CarbonylContact O-C 3.59Å; A135-G139 PolarHBondContact O-N 2.95Å; A135-G139 VanDerWaalsContact O-N 3.08Å; A136-G139 PolarHBondContact O-N 3.02Å; A136-G139 VanDerWaalsContact O-N 3.13Å; V137-G139 VanDerWaalsContact C-N 3.27Å; V137-G139 PolarHBondContact O-N 3.09Å
140V69.6Low65Low61 Ų6195.9 Ų95.937%0.3752%0.515SS..  trans-106.111.1-176.2-630000113.8A135 L138 N142 L143A135-V140 HydrophobicContact CB-CG2 3.87Å; A135-V140 PolarHBondContact O-N 2.68Å; L138-V140 HydrophobicContact CB-CG2 3.89Å; L138-V140 PolarHBondContact O-N 3.29Å; V140-N142 PolarHBondContact O-N 2.69Å; V140-L143 HydrophobicContact CB-CD1 4Å; V140-L143 HydrophobicContact CB-CG 4.4Å; V140-L143 HydrophobicContact CG1-CD1 4.25Å; V140-L143 WeakPolarHBondContact O-CB 3.35Å; V140-L143 PolarHBondContact O-N 2.74Å
141H66.1Low63.2Low95 Ų95100.2 Ų100.244%0.4454%0.535SS..G310 helixtrans-50.7-30.1178.859.7-82.7000114.4A135 L143 L144A135-H141 PolarHBondContact O-N 2.92Å; A135-H141 VanDerWaalsContact O-N 3.12Å; H141-L143 PolarHBondContact O-N 3.27Å; H141-L144 PolarHBondContact O-N 2.88Å
142N63.7Low61.4Low136 Ų136106.8 Ų106.873%0.72757%0.565SS**G310 helixtrans-68.4-14.2175.8-69.8-34.2000114.3V140V140-N142 PolarHBondContact O-N 2.69Å
143L58.5Low59.7Low82 Ų82107.8 Ų107.843%0.42958%0.58SS.*G310 helixtrans-87.9-9.8176.2-55.3-179.6000112.4V140 H141 V167V140-L143 HydrophobicContact CB-CD1 4Å; V140-L143 HydrophobicContact CB-CG 4.4Å; V140-L143 HydrophobicContact CG1-CD1 4.25Å; V140-L143 WeakPolarHBondContact O-CB 3.35Å; V140-L143 PolarHBondContact O-N 2.74Å; H141-L143 PolarHBondContact O-N 3.27Å; L143-V167 HydrophobicContact CB-CG2 4.42Å; L143-V167 HydrophobicContact CD2-CB 4.19Å; L143-V167 HydrophobicContact CD2-CG2 3.68Å
144L59.9Low57.7Low30 Ų30106.9 Ų106.916%0.15759%0.587CS.*SBendtrans-95.8124.1173.6-61.8171.3000108Y132 A135 H141 V163Y132-L144 HydrophobicContact CD1-CB 4.24Å; Y132-L144 HydrophobicContact CD1-CD1 3.63Å; Y132-L144 HydrophobicContact CE1-CB 3.74Å; Y132-L144 HydrophobicContact CE1-CD1 3.92Å; Y132-L144 HydrophobicContact CE1-CG 4.45Å; Y132-L144 HydrophobicContact CG-CD1 4.41Å; A135-L144 HydrophobicContact CB-CD1 3.21Å; A135-L144 HydrophobicContact CB-CG 4.19Å; H141-L144 PolarHBondContact O-N 2.88Å; L144-V163 HydrophobicContact CD2-CG1 3.36Å
145N55.5Low55.9Low109 Ų109110.9 Ų110.958%0.58361%0.609SS**PPolyproline II helixtrans-59.9144.1-168-115.22.1000113.6
146N51.1Low54.1Low119 Ų119115.7 Ų115.764%0.63664%0.642SS**PPolyproline II helixtrans-72.4129.3178.1-161.4-0.1000110.6K148N146-K148 PolarHBondContact O-N 3.42Å
147P48Very low52.3Low104 Ų104123.3 Ų123.368%0.67567%0.665SS**G310 helixtrans-67.92.9-171.424.3-34.8000116.4F149P147-F149 VanDerWaalsContact C-N 3.32Å; P147-F149 PolarHBondContact O-N 3.41Å
148K43.1Very low50.3Low189 Ų189120.9 Ų120.982%0.82267%0.666SS**G310 helixtrans-81.1-1-178.8-77.7-171.4175.5-179.70115.3N146N146-K148 PolarHBondContact O-N 3.42Å
149F41.8Very low48.2Very low173 Ų173117.5 Ų117.576%0.75966%0.662SS**G310 helixtrans-1051.9-177.6-108.1-85.6000114.8P147P147-F149 VanDerWaalsContact C-N 3.32Å; P147-F149 PolarHBondContact O-N 3.41Å
150D42.6Very low46.6Very low115 Ų115125.1 Ų125.162%0.61568%0.681SS**THydrogen-bonded Turntrans-94.89-170.7-82.8-26.6000115.9
151E40.7Very low45.3Very low194 Ų194124.5 Ų124.591%0.90769%0.687SS**THydrogen-bonded Turntrans-83.3-15.3173.3-88.6-172.916000114.3
152E39.9Very low44.5Very low182 Ų182123.3 Ų123.385%0.8569%0.687SS**SBendtrans-97.4-1.1-177.5-84.6-172158.200115.5
153T39.2Very low44Very low107 Ų107119 Ų11966%0.65667%0.666SS**  trans-122.820.5-175.1-11.50000115.2N155T153-N155 PolarHBondContact O-N 3.23Å
154A37Very low43.7Very low90 Ų90124.2 Ų124.274%0.74468%0.68SS**THydrogen-bonded Turntrans-76.626.2179.800000115
155N39.4Very low43.3Very low169 Ų169128.1 Ų128.190%0.90470%0.701SS**THydrogen-bonded Turntrans-130.233.8-177.1-120.49.7000115T153T153-N155 PolarHBondContact O-N 3.23Å
156S36.5Very low43.3Very low110 Ų110128 Ų12877%0.76970%0.703SS**  trans-129.8116.6163.2-160.90000111.5G158S156-G158 PolarHBondContact O-N 3.19Å
157K39.3Very low43.3Very low216 Ų216126.9 Ų126.994%0.93970%0.701SS**  trans-63.1123175.3-75.1177.5173.6175.40110.1
158G38.2Very low43.9Very low79 Ų79130.9 Ų130.981%0.81471%0.708SS**  trans104.6100.3155.100000115.5S156S156-G158 PolarHBondContact O-N 3.19Å
159G32.1Very low44.7Very low57 Ų57124.8 Ų124.859%0.58870%0.699SS**  trans159108.9162.300000113.3
160K37.6Very low45.9Very low211 Ų211125 Ų12592%0.91770%0.702SS**  trans-46.6139173.5-65.4170.8170.8-177.20114
161G41.8Very low47.1Very low47 Ų47127.5 Ų127.549%0.48571%0.707SS.*  trans102.4124.6151.100000117.5V163G161-V163 VanDerWaalsContact C-N 3.28Å; G161-V163 PolarHBondContact O-N 3.47Å
162P47.9Very low48.6Very low70 Ų70122.8 Ų122.846%0.45569%0.692SS.*SBendtrans-80.111.8178.134.5-35.2000115.2D128D128-P162 HydrophobicContact CB-CG 4.16Å; D128-P162 VanDerWaalsContact CG-CD 3.42Å; D128-P162 WeakPolarHBondContact OD1-CD 3.39Å; D128-P162 WeakPolarHBondContact OD2-CD 3.43Å; D128-P162 WeakPolarHBondContact OD2-CG 3.16Å
163V53.1Low50.3Low45 Ų45122.2 Ų122.227%0.27369%0.686SS.*  trans-116.971.7178.9-167.60000110.6L144 G161L144-V163 HydrophobicContact CD2-CG1 3.36Å; G161-V163 VanDerWaalsContact C-N 3.28Å; G161-V163 PolarHBondContact O-N 3.47Å
164R52.7Low51.7Low193 Ų193119.2 Ų119.273%0.72867%0.669SS**  trans-101.6-4.5-174.2-112.1-179.7171.1-177-2116.9
165N51.3Low53.3Low111 Ų111119.9 Ų119.959%0.59466%0.664SS**  trans-130.974.9-178.2-81.7-19.7000112.3V167N165-V167 PolarHBondContact O-N 2.96Å
166V55.2Low54.5Low106 Ų106116.1 Ų116.164%0.64264%0.639SS**  trans-64.7124.9156-177.20000106.9K168V166-K168 PolarHBondContact O-N 3.38Å
167V52.4Low56.3Low96 Ų96119.8 Ų119.858%0.58264%0.644SS**  trans-53.1107.7172.7175.90000107.9L143 N165 G169L143-V167 HydrophobicContact CB-CG2 4.42Å; L143-V167 HydrophobicContact CD2-CB 4.19Å; L143-V167 HydrophobicContact CD2-CG2 3.68Å; N165-V167 PolarHBondContact O-N 2.96Å; V167-G169 PolarHBondContact O-N 3.18Å
168K60.6Low58.1Low188 Ų188117.5 Ų117.582%0.81764%0.637SS**  trans-65.3121.1176.6-66.8-178.6-177.4174.10106.9V166V166-K168 PolarHBondContact O-N 3.38Å
169G59.3Low60.2Low62 Ų62119.2 Ų119.264%0.63963%0.634SS**  trans-50.3143.6172.200000110.3V167 K171V167-G169 PolarHBondContact O-N 3.18Å; G169-K171 PolarHBondContact O-N 2.69Å
170E66.7Low62.7Low177 Ų177122.2 Ų122.283%0.82764%0.643SS**  trans-56.4115.8177.6-172.9174.6179.800108.6V172E170-V172 PolarHBondContact O-N 2.88Å
171K68.9Low65.1Low167 Ų167114 Ų11473%0.72661%0.609SS**  trans-63.5114.4175.1-69.7-170.8175.6-167.60107.4G169 K173G169-K171 PolarHBondContact O-N 2.69Å; K171-K173 PolarHBondContact O-N 3.23Å
172V71.9Confident67.4Low95 Ų95117.8 Ų117.858%0.57663%0.625SS**PPolyproline II helixtrans-55.9117.5176.4178.50000106.9E170 P174E170-V172 PolarHBondContact O-N 2.88Å; V172-P174 WeakPolarHBondContact O-CD 3.41Å; V172-P174 VanDerWaalsContact O-N 3.13Å
173K74.6Confident69.4Low170 Ų170116.4 Ų116.474%0.73962%0.616SS**PPolyproline II helixtrans-58.3122.6174.8-67.8178.1-175.1170.80106.9K171 V175K171-K173 PolarHBondContact O-N 3.23Å; K173-V175 PolarHBondContact O-N 2.73Å; K173-V175 VanDerWaalsContact O-N 3.16Å
174P69.2Low71.3Confident45 Ų45118.1 Ų118.129%0.29262%0.623SS.*PPolyproline II helixtrans-55.3126.9177.820.4-31.4000108.7E106 V172 F176E106-P174 HydrophobicContact CG-CB 4.04Å; E106-P174 HydrophobicContact CG-CG 4.49Å; V172-P174 WeakPolarHBondContact O-CD 3.41Å; V172-P174 VanDerWaalsContact O-N 3.13Å; P174-F176 HydrophobicContact CB-CE1 4.11Å; P174-F176 HydrophobicContact CB-CE2 4.3Å; P174-F176 HydrophobicContact CB-CZ 3.91Å; P174-F176 HydrophobicContact CG-CE1 4.14Å; P174-F176 HydrophobicContact CG-CE2 3.81Å; P174-F176 HydrophobicContact CG-CZ 3.46Å; P174-F176 VanDerWaalsContact CG-CZ 3.46Å; P174-F176 WeakPolarHBondContact O-CD2 3.5Å; P174-F176 PolarHBondContact O-N 3.45Å
175V69.6Low73.2Confident104 Ų104110.1 Ų110.163%0.6360%0.596SS**  trans-80106.5175-179.80000106.2K173K173-V175 PolarHBondContact O-N 2.73Å; K173-V175 VanDerWaalsContact O-N 3.16Å
176F66.5Low75.1Confident89 Ų89111.5 Ų111.539%0.3960%0.599SS.*  trans-83.7122.5173.1-56-70.8000108.4P104 P174 E178P104-F176 HydrophobicContact CB-CD1 3.53Å; P104-F176 HydrophobicContact CB-CE1 3.92Å; P104-F176 HydrophobicContact CB-CG 4.19Å; P104-F176 HydrophobicContact CG-CB 4.29Å; P104-F176 HydrophobicContact CG-CD1 3.64Å; P104-F176 HydrophobicContact CG-CD2 4.45Å; P104-F176 HydrophobicContact CG-CE1 3.98Å; P104-F176 HydrophobicContact CG-CG 3.87Å; P104-F176 WeakPolarHBondContact O-CE1 3.36Å; P174-F176 HydrophobicContact CB-CE1 4.11Å; P174-F176 HydrophobicContact CB-CE2 4.3Å; P174-F176 HydrophobicContact CB-CZ 3.91Å; P174-F176 HydrophobicContact CG-CE1 4.14Å; P174-F176 HydrophobicContact CG-CE2 3.81Å; P174-F176 HydrophobicContact CG-CZ 3.46Å; P174-F176 VanDerWaalsContact CG-CZ 3.46Å; P174-F176 WeakPolarHBondContact O-CD2 3.5Å; P174-F176 PolarHBondContact O-N 3.45Å; F176-E178 PolarHBondContact O-N 2.93Å
177E73.6Confident76.9Confident187 Ų187110.5 Ų110.587%0.87459%0.589SS**  trans-72.3110.9170.9-67-171.117200108.6
178E76.3Confident78.8Confident168 Ų168106.5 Ų106.579%0.78557%0.565SS**PPolyproline II helixtrans-64.9143.6171.9-66.8-175.2170.800110F176F176-E178 PolarHBondContact O-N 2.93Å
179P82.1Confident80.5Confident116 Ų11698.1 Ų98.175%0.75353%0.529SS*.PPolyproline II helixtrans-60.1149.1177.126.4-34.1000110.7
180P85.5Confident82.1Confident120 Ų120101.4 Ų101.478%0.77953%0.528SS*.PPolyproline II helixtrans-59.8149177.326.7-34.3000110.7P182P180-P182 WeakPolarHBondContact O-CD 3.33Å
181N88.3Confident83.4Confident38 Ų3896.1 Ų96.120%0.20350%0.503CS..PPolyproline II helixtrans-56.1122178.6-178.8-10.5000110.2T183 N203 N205 I207N181-T183 PolarHBondContact O-N 3.16Å; N181-T183 VanDerWaalsContact OD1-CB 3.22Å; N181-T183 WeakPolarHBondContact OD1-CB 3.47Å; N181-T183 PolarHBondContact OD1-N 2.91Å; N181-T183 PolarHBondContact OD1-OG1 3.02Å; N181-N203 PolarHBondContact ND2-O 3.42Å; N181-N205 VanDerWaalsContact CB-O 3.3Å; N181-N205 WeakPolarHBondContact CB-O 3.24Å; N181-N205 PolarHBondContact ND2-N 2.95Å; N181-N205 PolarHBondContact ND2-O 2.99Å; N181-I207 HydrophobicContact CB-CD1 4.46Å; N181-I207 HydrophobicContact CB-CG1 4.06Å
182P89.2Confident84.6Confident126 Ų12688.2 Ų88.282%0.81847%0.469SS*.  trans-76.2-4-175.931.9-37.1000113.8P180 N184P180-P182 WeakPolarHBondContact O-CD 3.33Å; P182-N184 PolarHBondContact O-N 3.47Å
183T90.8Very high85.7Confident42 Ų4289 Ų8926%0.25846%0.464SS..  trans-66.6125.5-173.5-55.50000111.9N181 N203 L204N181-T183 PolarHBondContact O-N 3.16Å; N181-T183 VanDerWaalsContact OD1-CB 3.22Å; N181-T183 WeakPolarHBondContact OD1-CB 3.47Å; N181-T183 PolarHBondContact OD1-N 2.91Å; N181-T183 PolarHBondContact OD1-OG1 3.02Å; T183-N203 WeakPolarHBondContact CB-O 3.27Å; T183-N203 PolarHBondContact OG1-O 3.32Å; T183-L204 HydrophobicContact CG2-CD2 4.13Å
184N92.6Very high86.7Confident81 Ų8184.7 Ų84.743%0.43346%0.46SS..  trans-85.3113.1174-174.2-45.1000110.6P182 E186 I187 S188P182-N184 PolarHBondContact O-N 3.47Å; N184-E186 PolarHBondContact O-N 3.42Å; N184-E186 PolarHBondContact OD1-N 3.11Å; N184-I187 HydrophobicContact CB-CB 4.27Å; N184-I187 HydrophobicContact CB-CD1 4.04Å; N184-I187 HydrophobicContact CB-CG1 4.28Å; N184-I187 PolarHBondContact OD1-N 2.93Å; N184-S188 WeakPolarHBondContact O-CB 3.44Å; N184-S188 PolarHBondContact O-N 3.03Å; N184-S188 PolarHBondContact O-OG 2.82Å; N184-S188 VanDerWaalsContact O-OG 3.1Å
185V92.1Very high87.8Confident25 Ų2584.9 Ų84.915%0.15246%0.459CS..Hα-helixtrans-59.6-42.7-175.9-1750000112.6L189 L204 I207 I210 T214 F218V185-L189 WeakPolarHBondContact O-CB 3.46Å; V185-L189 PolarHBondContact O-N 2.81Å; V185-L204 HydrophobicContact CG2-CD2 4.35Å; V185-I207 HydrophobicContact CG2-CD1 3.96Å; V185-I207 HydrophobicContact CG2-CG2 4.24Å; V185-I210 HydrophobicContact CG1-CD1 4.33Å; V185-I210 HydrophobicContact CG1-CG2 4.17Å; V185-I210 HydrophobicContact CG2-CD1 3.94Å; V185-I210 HydrophobicContact CG2-CG1 4.17Å; V185-T214 HydrophobicContact CG1-CG2 4.13Å; V185-F218 HydrophobicContact CG1-CE2 3.53Å; V185-F218 HydrophobicContact CG1-CZ 3.78Å; V185-F218 WeakPolarHBondContact O-CZ 3.47Å
186E91.6Very high89Confident140 Ų14081.9 Ų81.965%0.65444%0.439SS*.Hα-helixtrans-71.2-44-174.6-65.6178.4179.500111.6N184 L189 Q190N184-E186 PolarHBondContact O-N 3.42Å; N184-E186 PolarHBondContact OD1-N 3.11Å; E186-L189 PolarHBondContact O-N 2.96Å; E186-Q190 WeakPolarHBondContact O-CG 3.29Å; E186-Q190 PolarHBondContact O-N 2.83Å
187I92.8Very high90.3Very high85 Ų8581.7 Ų81.744%0.43645%0.447SS..Hα-helixtrans-64.7-46.1178.2-61.9174.7000109.8N184 L189 Q190 Q191N184-I187 HydrophobicContact CB-CB 4.27Å; N184-I187 HydrophobicContact CB-CD1 4.04Å; N184-I187 HydrophobicContact CB-CG1 4.28Å; N184-I187 PolarHBondContact OD1-N 2.93Å; I187-L189 VanDerWaalsContact C-N 3.3Å; I187-L189 PolarHBondContact O-N 3.2Å; I187-Q190 PolarHBondContact O-N 3.32Å; I187-Q191 HydrophobicContact CG2-CG 4.31Å; I187-Q191 WeakPolarHBondContact O-CB 3.36Å; I187-Q191 WeakPolarHBondContact O-CG 3.36Å; I187-Q191 PolarHBondContact O-N 3Å
188S93.6Very high91.3Very high11 Ų1177 Ų778%0.07743%0.434CS..Hα-helixtrans-59.5-42176.5-63.70000111.6N184 Q190 Q191 M192N184-S188 WeakPolarHBondContact O-CB 3.44Å; N184-S188 PolarHBondContact O-N 3.03Å; N184-S188 PolarHBondContact O-OG 2.82Å; N184-S188 VanDerWaalsContact O-OG 3.1Å; S188-Q190 PolarHBondContact O-N 3.06Å; S188-Q191 PolarHBondContact O-N 3.03Å; S188-M192 WeakPolarHBondContact O-CB 3.37Å; S188-M192 WeakPolarHBondContact O-CG 3.49Å; S188-M192 PolarHBondContact O-N 3.33Å
189L94.7Very high92.1Very high13 Ų1370 Ų707%0.06840%0.403CS..Hα-helixtrans-63.1-41.7176.8-176.560000112.2V185 E186 I187 M192 K193 T214 E217 F218 A221V185-L189 WeakPolarHBondContact O-CB 3.46Å; V185-L189 PolarHBondContact O-N 2.81Å; E186-L189 PolarHBondContact O-N 2.96Å; I187-L189 VanDerWaalsContact C-N 3.3Å; I187-L189 PolarHBondContact O-N 3.2Å; L189-M192 PolarHBondContact O-N 2.86Å; L189-K193 HydrophobicContact CG-CD 4.38Å; L189-K193 WeakPolarHBondContact O-CB 3.36Å; L189-K193 WeakPolarHBondContact O-CG 3.4Å; L189-K193 PolarHBondContact O-N 3.08Å; L189-T214 HydrophobicContact CD2-CG2 4.06Å; L189-E217 HydrophobicContact CD1-CB 4.2Å; L189-E217 HydrophobicContact CD2-CB 4.14Å; L189-F218 HydrophobicContact CB-CD1 4.5Å; L189-F218 HydrophobicContact CB-CE1 3.82Å; L189-F218 HydrophobicContact CB-CE2 4.22Å; L189-F218 HydrophobicContact CB-CZ 3.66Å; L189-F218 HydrophobicContact CD1-CB 4.48Å; L189-F218 HydrophobicContact CD1-CD1 3.73Å; L189-F218 HydrophobicContact CD1-CD2 4.14Å; L189-F218 HydrophobicContact CD1-CE1 3.93Å; L189-F218 HydrophobicContact CD1-CE2 4.3Å; L189-F218 HydrophobicContact CD1-CG 3.86Å; L189-F218 HydrophobicContact CD1-CZ 4.22Å; L189-F218 HydrophobicContact CG-CE1 4.47Å; L189-F218 HydrophobicContact CG-CZ 4.43Å; L189-A221 HydrophobicContact CD1-CB 4.3Å
190Q94.5Very high92.8Very high131 Ų13169.5 Ų69.561%0.61239%0.39SS*.Hα-helixtrans-65.2-45.9176.9-73.1177.61.700111.9E186 I187 S188 M192 K193 A194E186-Q190 WeakPolarHBondContact O-CG 3.29Å; E186-Q190 PolarHBondContact O-N 2.83Å; I187-Q190 PolarHBondContact O-N 3.32Å; S188-Q190 PolarHBondContact O-N 3.06Å; Q190-M192 VanDerWaalsContact C-N 3.29Å; Q190-M192 PolarHBondContact O-N 3.25Å; Q190-K193 PolarHBondContact O-N 2.94Å; Q190-A194 WeakPolarHBondContact O-CB 3.17Å; Q190-A194 PolarHBondContact O-N 2.95Å
191Q93.4Very high93.2Very high65 Ų6568.9 Ų68.930%0.30438%0.377SS..Hα-helixtrans-61.1-39176.3-73.1176.4-40.500111.9I187 S188 A194 N195 D196 L199I187-Q191 HydrophobicContact CG2-CG 4.31Å; I187-Q191 WeakPolarHBondContact O-CB 3.36Å; I187-Q191 WeakPolarHBondContact O-CG 3.36Å; I187-Q191 PolarHBondContact O-N 3Å; S188-Q191 PolarHBondContact O-N 3.03Å; Q191-A194 PolarHBondContact O-N 3.22Å; Q191-N195 PolarHBondContact O-N 2.8Å; Q191-D196 HydrophobicContact CB-CB 4.18Å; Q191-D196 PolarHBondContact O-N 2.89Å; Q191-L199 HydrophobicContact CB-CD2 3.78Å
192M94.1Very high93.6Very high1 Ų167.2 Ų67.21%0.00537%0.368CS..Hα-helixtrans-64.9-44.7174.8-72.9176.365.400112.3S188 L189 Q190 A194 N195 L199 V202 F218 A221 L222 N225 V228 F231S188-M192 WeakPolarHBondContact O-CB 3.37Å; S188-M192 WeakPolarHBondContact O-CG 3.49Å; S188-M192 PolarHBondContact O-N 3.33Å; L189-M192 PolarHBondContact O-N 2.86Å; Q190-M192 VanDerWaalsContact C-N 3.29Å; Q190-M192 PolarHBondContact O-N 3.25Å; M192-A194 VanDerWaalsContact C-N 3.28Å; M192-A194 PolarHBondContact O-N 3.06Å; M192-N195 PolarHBondContact O-N 3.48Å; M192-N195 VanDerWaalsContact O-N 3.09Å; M192-L199 HydrophobicContact CB-CD2 4.48Å; M192-L199 HydrophobicContact CG-CD2 3.41Å; M192-L199 VanDerWaalsContact CG-CD2 3.41Å; M192-L199 HydrophobicContact SD-CD2 4.5Å; M192-V202 HydrophobicContact CG-CG2 4.2Å; M192-V202 HydrophobicContact SD-CB 4.33Å; M192-V202 HydrophobicContact SD-CG1 4.01Å; M192-V202 HydrophobicContact SD-CG2 3.66Å; M192-F218 HydrophobicContact CE-CD1 3.87Å; M192-F218 HydrophobicContact SD-CD1 3.4Å; M192-F218 WeakPolarHBondContact SD-CD1 3.34Å; M192-F218 HydrophobicContact SD-CE1 3.52Å; M192-F218 VanDerWaalsContact SD-CE1 3.52Å; M192-A221 HydrophobicContact CB-CB 4.31Å; M192-L222 HydrophobicContact CE-CD1 4.02Å; M192-L222 HydrophobicContact CE-CD2 3.32Å; M192-L222 HydrophobicContact CE-CG 3.32Å; M192-N225 PolarHBondContact O-ND2 3.13Å; M192-V228 HydrophobicContact CE-CG2 4.49Å; M192-V228 HydrophobicContact CG-CG2 4.21Å; M192-F231 HydrophobicContact CE-CD2 4.19Å; M192-F231 HydrophobicContact CE-CE2 4Å; M192-F231 HydrophobicContact SD-CE2 4.22Å
193K94.6Very high93.9Very high112 Ų11263.9 Ų63.949%0.48734%0.343SS..Hα-helixtrans-63.3-34.2175.3-74.5176.3-178.7176.10112.1L189 Q190 N195 E217 A221L189-K193 HydrophobicContact CG-CD 4.38Å; L189-K193 WeakPolarHBondContact O-CB 3.36Å; L189-K193 WeakPolarHBondContact O-CG 3.4Å; L189-K193 PolarHBondContact O-N 3.08Å; Q190-K193 PolarHBondContact O-N 2.94Å; K193-N195 PolarHBondContact O-N 2.91Å; K193-E217 IonicContact NZ-OE2 3.49Å; K193-E217 PolarHBondContact NZ-OE2 2.97Å; K193-A221 HydrophobicContact CG-CB 3.8Å
194A95.2Very high94.1Very high79 Ų7961.9 Ų61.965%0.65333%0.331SS*.THydrogen-bonded Turntrans-78.2-2.3175.500000113.7Q190 Q191 M192 D196Q190-A194 WeakPolarHBondContact O-CB 3.17Å; Q190-A194 PolarHBondContact O-N 2.95Å; Q191-A194 PolarHBondContact O-N 3.22Å; M192-A194 VanDerWaalsContact C-N 3.28Å; M192-A194 PolarHBondContact O-N 3.06Å; A194-D196 VanDerWaalsContact C-N 3.33Å; A194-D196 PolarHBondContact O-N 3.07Å
195N93.8Very high94.2Very high50 Ų5059.5 Ų59.527%0.26732%0.318SS..THydrogen-bonded Turntrans51.748.2-174.9-162.235.7000113Q191 M192 K193 N225 T226 H227Q191-N195 PolarHBondContact O-N 2.8Å; M192-N195 PolarHBondContact O-N 3.48Å; M192-N195 VanDerWaalsContact O-N 3.09Å; K193-N195 PolarHBondContact O-N 2.91Å; N195-N225 PolarHBondContact OD1-ND2 3.24Å; N195-T226 PolarHBondContact ND2-OG1 3.34Å; N195-T226 PolarHBondContact OD1-N 2.9Å; N195-T226 PolarHBondContact OD1-OG1 2.85Å; N195-H227 PolarHBondContact O-CD2 3.13Å; N195-H227 VanDerWaalsContact O-CD2 3.25Å; N195-H227 PolarHBondContact OD1-CD2 3.27Å; N195-H227 VanDerWaalsContact OD1-CD2 3.24Å
196D94.6Very high94.2Very high41 Ų4163.1 Ų63.122%0.21934%0.337CS..  trans-63.3123-179.6-172.4-22.1000111.4Q191 A194 S198 L199Q191-D196 HydrophobicContact CB-CB 4.18Å; Q191-D196 PolarHBondContact O-N 2.89Å; A194-D196 VanDerWaalsContact C-N 3.33Å; A194-D196 PolarHBondContact O-N 3.07Å; D196-S198 PolarHBondContact O-N 3.15Å; D196-S198 WeakPolarHBondContact OD1-CB 3.41Å; D196-S198 PolarHBondContact OD1-N 3.12Å; D196-S198 PolarHBondContact OD1-OG 3.42Å; D196-S198 PolarHBondContact OD2-OG 2.91Å; D196-L199 HydrophobicContact CB-CB 4.39Å; D196-L199 PolarHBondContact O-N 3.32Å
197P93.5Very high94.1Very high85 Ų8558.1 Ų58.155%0.55231%0.314SS*.THydrogen-bonded Turntrans-67.9-19.2-179.728.1-36000114L199P197-L199 VanDerWaalsContact C-N 3.33Å
198S94.4Very high93.4Very high87 Ų8760.6 Ų60.661%0.60832%0.322SS*.THydrogen-bonded Turntrans-76-23.6177.671.10000112.6D196 Q200D196-S198 PolarHBondContact O-N 3.15Å; D196-S198 WeakPolarHBondContact OD1-CB 3.41Å; D196-S198 PolarHBondContact OD1-N 3.12Å; D196-S198 PolarHBondContact OD1-OG 3.42Å; D196-S198 PolarHBondContact OD2-OG 2.91Å; S198-Q200 PolarHBondContact O-N 3.47Å
199L93.6Very high93Very high22 Ų2266.7 Ų66.712%0.11535%0.353CS..  trans-88.691.6-175.4-170.166.7000111.4Q191 M192 D196 P197 V202 V228Q191-L199 HydrophobicContact CB-CD2 3.78Å; M192-L199 HydrophobicContact CB-CD2 4.48Å; M192-L199 HydrophobicContact CG-CD2 3.41Å; M192-L199 VanDerWaalsContact CG-CD2 3.41Å; M192-L199 HydrophobicContact SD-CD2 4.5Å; D196-L199 HydrophobicContact CB-CB 4.39Å; D196-L199 PolarHBondContact O-N 3.32Å; P197-L199 VanDerWaalsContact C-N 3.33Å; L199-V202 HydrophobicContact CD1-CG2 4.08Å; L199-V202 HydrophobicContact CD2-CG2 3.9Å; L199-V202 HydrophobicContact CG-CG2 3.91Å; L199-V228 HydrophobicContact CD2-CG2 4.49Å; L199-V228 HydrophobicContact CG-CG2 4.36Å; L199-V228 WeakPolarHBondContact O-CG2 3.26Å
200Q95.2Very high92.8Very high105 Ų10566.7 Ų66.749%0.49135%0.354SS..  trans-98.7-24.2179.7-61.1-173.712.700113.8S198 K229 K230S198-Q200 PolarHBondContact O-N 3.47Å; Q200-K229 PolarHBondContact O-N 3.47Å; Q200-K230 PolarHBondContact O-N 3.37Å
201E95.6Very high92.8Very high108 Ų10864 Ų6451%0.50535%0.347SS..EExtended strand (participates in β ladder)trans-134.9127.8-175.3-179.8163.2170.400109.7K230E201-K230 WeakPolarHBondContact CA-O 3.35Å; E201-K230 HydrophobicContact CB-CB 4.33Å; E201-K230 HydrophobicContact CG-CB 4.01Å; E201-K230 HydrophobicContact CG-CD 4.3Å; E201-K230 WeakPolarHBondContact OE2-CD 3.33Å; E201-K230 IonicContact OE2-NZ 3.24Å; E201-K230 PolarHBondContact OE2-NZ 3.19Å; E201-K230 VanDerWaalsContact OE2-NZ 3.08Å
202V95.8Very high92.8Very high2 Ų263.2 Ų63.21%0.01235%0.345CS..EExtended strand (participates in β ladder)trans-121.8116.4179.5179.90000108.1M192 L199 L204 F218 V228 K230 F231 S232M192-V202 HydrophobicContact CG-CG2 4.2Å; M192-V202 HydrophobicContact SD-CB 4.33Å; M192-V202 HydrophobicContact SD-CG1 4.01Å; M192-V202 HydrophobicContact SD-CG2 3.66Å; L199-V202 HydrophobicContact CD1-CG2 4.08Å; L199-V202 HydrophobicContact CD2-CG2 3.9Å; L199-V202 HydrophobicContact CG-CG2 3.91Å; V202-L204 HydrophobicContact CG1-CD2 4.31Å; V202-L204 HydrophobicContact CG1-CG 4.2Å; V202-F218 HydrophobicContact CG1-CE1 4.49Å; V202-V228 HydrophobicContact CG2-CG1 4.12Å; V202-V228 HydrophobicContact CG2-CG2 4.1Å; V202-K230 PolarHBondContact N-O 3.33Å; V202-F231 HydrophobicContact CB-CD2 3.75Å; V202-F231 HydrophobicContact CB-CE2 4.05Å; V202-F231 HydrophobicContact CG1-CD2 3.87Å; V202-F231 HydrophobicContact CG1-CE2 3.62Å; V202-F231 HydrophobicContact CG2-CD2 4.5Å; V202-F231 WeakPolarHBondContact O-CA 3.28Å; V202-S232 PolarHBondContact O-N 3.16Å
203N95.4Very high92.8Very high56 Ų5667 Ų6730%0.29937%0.369SS..EExtended strand (participates in β ladder)trans-121.4104.4-175.8-177.7-5.2000110.8N181 T183 N205N181-N203 PolarHBondContact ND2-O 3.42Å; T183-N203 WeakPolarHBondContact CB-O 3.27Å; T183-N203 PolarHBondContact OG1-O 3.32Å; N203-N205 WeakPolarHBondContact OD1-CB 3.45Å; N203-N205 PolarHBondContact OD1-N 2.72Å; N203-N205 PolarHBondContact OD1-ND2 3.21Å; N203-N205 PolarHBondContact OD1-OD1 3.35Å
204L95.1Very high92.8Very high0 Ų063.2 Ų63.20%036%0.356CS..  trans-102.817.3177.6-54.7-179.2000112.3T183 V185 V202 I207 I210 L215 F218 F231 S232 T236T183-L204 HydrophobicContact CG2-CD2 4.13Å; V185-L204 HydrophobicContact CG2-CD2 4.35Å; V202-L204 HydrophobicContact CG1-CD2 4.31Å; V202-L204 HydrophobicContact CG1-CG 4.2Å; L204-I207 HydrophobicContact CB-CD1 4.43Å; L204-I207 HydrophobicContact CD2-CD1 4.31Å; L204-I207 PolarHBondContact O-N 3.31Å; L204-I210 HydrophobicContact CB-CD1 4.02Å; L204-I210 HydrophobicContact CD1-CD1 4.14Å; L204-I210 HydrophobicContact CG-CD1 4.48Å; L204-L215 HydrophobicContact CD1-CD2 4.4Å; L204-F218 HydrophobicContact CD1-CD2 4.08Å; L204-F218 HydrophobicContact CD1-CE1 4.28Å; L204-F218 HydrophobicContact CD1-CE2 3.79Å; L204-F218 HydrophobicContact CD1-CG 4.45Å; L204-F218 HydrophobicContact CD1-CZ 3.88Å; L204-F218 HydrophobicContact CD2-CZ 4.42Å; L204-F231 HydrophobicContact CD1-CE2 4.44Å; L204-F231 HydrophobicContact CD1-CZ 3.84Å; L204-S232 PolarHBondContact N-O 2.89Å; L204-T236 HydrophobicContact CB-CG2 4.43Å; L204-T236 WeakPolarHBondContact O-CG2 3.37Å
205N94.4Very high92.8Very high31 Ų3159.5 Ų59.517%0.16633%0.325CS..THydrogen-bonded Turntrans-60.4141.2-174.4-65.7-8.6000111.8N181 N203 I207 S232 A234N181-N205 VanDerWaalsContact CB-O 3.3Å; N181-N205 WeakPolarHBondContact CB-O 3.24Å; N181-N205 PolarHBondContact ND2-N 2.95Å; N181-N205 PolarHBondContact ND2-O 2.99Å; N203-N205 WeakPolarHBondContact OD1-CB 3.45Å; N203-N205 PolarHBondContact OD1-N 2.72Å; N203-N205 PolarHBondContact OD1-ND2 3.21Å; N203-N205 PolarHBondContact OD1-OD1 3.35Å; N205-I207 PolarHBondContact O-N 3.25Å; N205-I207 VanDerWaalsContact O-N 3.15Å; N205-S232 PolarHBondContact ND2-OG 3.31Å; N205-S232 WeakPolarHBondContact OD1-CB 3.47Å; N205-S232 PolarHBondContact OD1-OG 3.01Å; N205-A234 CarbonylContact C-O 3.58Å; N205-A234 VanDerWaalsContact CA-O 3.29Å; N205-A234 WeakPolarHBondContact CA-O 3.44Å; N205-A234 HydrophobicContact CB-CB 4.42Å; N205-A234 WeakPolarHBondContact OD1-CB 3.49Å; N205-A234 PolarHBondContact OD1-N 2.96Å
206N91.3Very high92.9Very high101 Ų10162.9 Ų62.954%0.5433%0.334SS..THydrogen-bonded Turntrans62.711.9175.3-55.3-57.2000115.7K208 A234N206-K208 PolarHBondContact O-N 2.91Å; N206-A234 PolarHBondContact N-O 3.23Å
207I90.9Very high93Very high35 Ų3564.7 Ų64.718%0.17934%0.341CS..  trans-83.799.6174.2-55.6178.2000108.5N181 V185 L204 N205 N209 I210N181-I207 HydrophobicContact CB-CD1 4.46Å; N181-I207 HydrophobicContact CB-CG1 4.06Å; V185-I207 HydrophobicContact CG2-CD1 3.96Å; V185-I207 HydrophobicContact CG2-CG2 4.24Å; L204-I207 HydrophobicContact CB-CD1 4.43Å; L204-I207 HydrophobicContact CD2-CD1 4.31Å; L204-I207 PolarHBondContact O-N 3.31Å; N205-I207 PolarHBondContact O-N 3.25Å; N205-I207 VanDerWaalsContact O-N 3.15Å; I207-N209 VanDerWaalsContact C-N 3.31Å; I207-N209 PolarHBondContact O-N 3.48Å; I207-I210 HydrophobicContact CB-CD1 3.93Å; I207-I210 HydrophobicContact CB-CG1 4.08Å; I207-I210 HydrophobicContact CG2-CD1 3.91Å; I207-I210 HydrophobicContact CG2-CG1 3.6Å
208K77Confident93.1Very high138 Ų13860.7 Ų60.760%0.632%0.315SS*.THydrogen-bonded Turntrans-76.4-2.3-163.8-68.6178.7-178.2173.50116.5N206N206-K208 PolarHBondContact O-N 2.91Å
209N84.9Confident93.2Very high138 Ų13856.5 Ų56.574%0.73829%0.286SS*.THydrogen-bonded Turntrans-136.833.3-170.1-66.6-32.3000114.3I207 P211I207-N209 VanDerWaalsContact C-N 3.31Å; I207-N209 PolarHBondContact O-N 3.48Å; N209-P211 WeakPolarHBondContact O-CD 3.43Å
210I91.5Very high93.3Very high14 Ų1461.6 Ų61.67%0.07231%0.307CS..  trans-77.9125.5174.4-51.3-177.8000109V185 L204 I207 I212 T214 L215 T236V185-I210 HydrophobicContact CG1-CD1 4.33Å; V185-I210 HydrophobicContact CG1-CG2 4.17Å; V185-I210 HydrophobicContact CG2-CD1 3.94Å; V185-I210 HydrophobicContact CG2-CG1 4.17Å; L204-I210 HydrophobicContact CB-CD1 4.02Å; L204-I210 HydrophobicContact CD1-CD1 4.14Å; L204-I210 HydrophobicContact CG-CD1 4.48Å; I207-I210 HydrophobicContact CB-CD1 3.93Å; I207-I210 HydrophobicContact CB-CG1 4.08Å; I207-I210 HydrophobicContact CG2-CD1 3.91Å; I207-I210 HydrophobicContact CG2-CG1 3.6Å; I210-I212 PolarHBondContact O-N 3.24Å; I210-T214 HydrophobicContact CG2-CG2 4.17Å; I210-L215 HydrophobicContact CB-CD1 4.43Å; I210-L215 HydrophobicContact CB-CD2 4.3Å; I210-L215 HydrophobicContact CB-CG 4.24Å; I210-L215 HydrophobicContact CD1-CD2 4.28Å; I210-L215 HydrophobicContact CG2-CD1 4.38Å; I210-L215 HydrophobicContact CG2-CD2 3.82Å; I210-L215 HydrophobicContact CG2-CG 3.7Å; I210-T236 HydrophobicContact CD1-CG2 4.26Å
211P93.6Very high93.3Very high74 Ų7457 Ų5748%0.48129%0.287SS..  trans-61.2138.2174.8-21.532.9000111.5N209 P213 T214 L215N209-P211 WeakPolarHBondContact O-CD 3.43Å; P211-P213 VanDerWaalsContact C-CD 3.41Å; P211-P213 VanDerWaalsContact C-N 3.3Å; P211-T214 WeakPolarHBondContact O-CA 3.46Å; P211-T214 VanDerWaalsContact O-CB 3.29Å; P211-T214 WeakPolarHBondContact O-CB 3.32Å; P211-T214 PolarHBondContact O-N 3.06Å; P211-L215 PolarHBondContact O-N 2.93Å; P211-L215 VanDerWaalsContact O-N 3.14Å
212I93.6Very high93.3Very high48 Ų4851.8 Ų51.825%0.24626%0.263CS..Hα-helixtrans-53-41.2175.9-60.4-59.5000112.7I210 T214 L215 R216 V242I210-I212 PolarHBondContact O-N 3.24Å; I212-T214 VanDerWaalsContact C-N 3.3Å; I212-T214 PolarHBondContact O-N 2.99Å; I212-L215 HydrophobicContact CD1-CD1 4.23Å; I212-L215 PolarHBondContact O-N 2.96Å; I212-R216 WeakPolarHBondContact O-CG 3.39Å; I212-R216 PolarHBondContact O-N 3.38Å; I212-V242 HydrophobicContact CD1-CG2 4.01Å; I212-V242 HydrophobicContact CG2-CG2 3.82Å
213P95.3Very high93.3Very high81 Ų8155 Ų5553%0.52628%0.277SS..Hα-helixtrans-58.4-40.8174.4-25.235.7000112.9P211 L215 R216 E217P211-P213 VanDerWaalsContact C-CD 3.41Å; P211-P213 VanDerWaalsContact C-N 3.3Å; P213-L215 PolarHBondContact O-N 3.12Å; P213-R216 WeakPolarHBondContact O-CB 3.44Å; P213-R216 PolarHBondContact O-N 3.38Å; P213-R216 VanDerWaalsContact O-N 3.16Å; P213-E217 PolarHBondContact O-N 3.3Å
214T94.8Very high93.3Very high33 Ų3357.3 Ų57.320%0.20229%0.294CS..Hα-helixtrans-63.2-41.6177.7-490000111.4V185 L189 I210 P211 I212 R216 E217 F218V185-T214 HydrophobicContact CG1-CG2 4.13Å; L189-T214 HydrophobicContact CD2-CG2 4.06Å; I210-T214 HydrophobicContact CG2-CG2 4.17Å; P211-T214 WeakPolarHBondContact O-CA 3.46Å; P211-T214 VanDerWaalsContact O-CB 3.29Å; P211-T214 WeakPolarHBondContact O-CB 3.32Å; P211-T214 PolarHBondContact O-N 3.06Å; I212-T214 VanDerWaalsContact C-N 3.3Å; I212-T214 PolarHBondContact O-N 2.99Å; T214-R216 VanDerWaalsContact C-N 3.3Å; T214-R216 PolarHBondContact O-N 3.43Å; T214-E217 WeakPolarHBondContact O-CB 3.36Å; T214-E217 PolarHBondContact O-N 3.46Å; T214-E217 VanDerWaalsContact O-N 3.11Å; T214-F218 HydrophobicContact CG2-CD2 4.41Å; T214-F218 HydrophobicContact CG2-CE2 4.07Å; T214-F218 VanDerWaalsContact O-CD2 3.24Å; T214-F218 WeakPolarHBondContact O-CD2 3.37Å; T214-F218 PolarHBondContact O-N 3.37Å
215L95Very high93.3Very high0 Ų057.4 Ų57.40%029%0.294CS..Hα-helixtrans-63.5-35.6174.6-68.6168.4000112.6L204 I210 P211 I212 P213 E217 F218 A219 S238 V242L204-L215 HydrophobicContact CD1-CD2 4.4Å; I210-L215 HydrophobicContact CB-CD1 4.43Å; I210-L215 HydrophobicContact CB-CD2 4.3Å; I210-L215 HydrophobicContact CB-CG 4.24Å; I210-L215 HydrophobicContact CD1-CD2 4.28Å; I210-L215 HydrophobicContact CG2-CD1 4.38Å; I210-L215 HydrophobicContact CG2-CD2 3.82Å; I210-L215 HydrophobicContact CG2-CG 3.7Å; P211-L215 PolarHBondContact O-N 2.93Å; P211-L215 VanDerWaalsContact O-N 3.14Å; I212-L215 HydrophobicContact CD1-CD1 4.23Å; I212-L215 PolarHBondContact O-N 2.96Å; P213-L215 PolarHBondContact O-N 3.12Å; L215-E217 VanDerWaalsContact C-N 3.33Å; L215-F218 WeakPolarHBondContact O-CB 3.33Å; L215-F218 PolarHBondContact O-N 3.03Å; L215-A219 PolarHBondContact O-N 3.26Å; L215-S238 VanDerWaalsContact CD1-OG 3.29Å; L215-S238 WeakPolarHBondContact CD1-OG 3.32Å; L215-V242 HydrophobicContact CB-CG1 4.01Å; L215-V242 HydrophobicContact CB-CG2 3.94Å; L215-V242 HydrophobicContact CD1-CG2 4.18Å
216R95.8Very high93.4Very high121 Ų12159.6 Ų59.646%0.45731%0.309SS..Hα-helixtrans-68.7-33.7172.4-66.5177.168.1-164.32.4112I212 P213 T214 F218 A219 K220 A245I212-R216 WeakPolarHBondContact O-CG 3.39Å; I212-R216 PolarHBondContact O-N 3.38Å; P213-R216 WeakPolarHBondContact O-CB 3.44Å; P213-R216 PolarHBondContact O-N 3.38Å; P213-R216 VanDerWaalsContact O-N 3.16Å; T214-R216 VanDerWaalsContact C-N 3.3Å; T214-R216 PolarHBondContact O-N 3.43Å; R216-F218 VanDerWaalsContact C-N 3.32Å; R216-A219 PolarHBondContact O-N 3.21Å; R216-K220 PolarHBondContact O-N 3.04Å; R216-A245 HydrophobicContact CB-CB 4.48Å; R216-A245 HydrophobicContact CG-CB 4.17Å
217E95.6Very high93.6Very high80 Ų8057.8 Ų57.837%0.37430%0.297SS..Hα-helixtrans-65.7-34.6172.5-72.1-174.1-153.200112.4L189 K193 P213 T214 L215 K220 A221L189-E217 HydrophobicContact CD1-CB 4.2Å; L189-E217 HydrophobicContact CD2-CB 4.14Å; K193-E217 IonicContact NZ-OE2 3.49Å; K193-E217 PolarHBondContact NZ-OE2 2.97Å; P213-E217 PolarHBondContact O-N 3.3Å; T214-E217 WeakPolarHBondContact O-CB 3.36Å; T214-E217 PolarHBondContact O-N 3.46Å; T214-E217 VanDerWaalsContact O-N 3.11Å; L215-E217 VanDerWaalsContact C-N 3.33Å; E217-K220 PolarHBondContact O-N 3.47Å; E217-A221 VanDerWaalsContact O-CB 3.32Å; E217-A221 WeakPolarHBondContact O-CB 3.41Å; E217-A221 PolarHBondContact O-N 3.03Å
218F95.9Very high93.9Very high0 Ų056.1 Ų56.10%029%0.289CS..Hα-helixtrans-60.6-45.7171-83.2-75.2000111.9V185 L189 M192 V202 L204 T214 L215 R216 K220 A221 L222 F231V185-F218 HydrophobicContact CG1-CE2 3.53Å; V185-F218 HydrophobicContact CG1-CZ 3.78Å; V185-F218 WeakPolarHBondContact O-CZ 3.47Å; L189-F218 HydrophobicContact CB-CD1 4.5Å; L189-F218 HydrophobicContact CB-CE1 3.82Å; L189-F218 HydrophobicContact CB-CE2 4.22Å; L189-F218 HydrophobicContact CB-CZ 3.66Å; L189-F218 HydrophobicContact CD1-CB 4.48Å; L189-F218 HydrophobicContact CD1-CD1 3.73Å; L189-F218 HydrophobicContact CD1-CD2 4.14Å; L189-F218 HydrophobicContact CD1-CE1 3.93Å; L189-F218 HydrophobicContact CD1-CE2 4.3Å; L189-F218 HydrophobicContact CD1-CG 3.86Å; L189-F218 HydrophobicContact CD1-CZ 4.22Å; L189-F218 HydrophobicContact CG-CE1 4.47Å; L189-F218 HydrophobicContact CG-CZ 4.43Å; M192-F218 HydrophobicContact CE-CD1 3.87Å; M192-F218 HydrophobicContact SD-CD1 3.4Å; M192-F218 WeakPolarHBondContact SD-CD1 3.34Å; M192-F218 HydrophobicContact SD-CE1 3.52Å; M192-F218 VanDerWaalsContact SD-CE1 3.52Å; V202-F218 HydrophobicContact CG1-CE1 4.49Å; L204-F218 HydrophobicContact CD1-CD2 4.08Å; L204-F218 HydrophobicContact CD1-CE1 4.28Å; L204-F218 HydrophobicContact CD1-CE2 3.79Å; L204-F218 HydrophobicContact CD1-CG 4.45Å; L204-F218 HydrophobicContact CD1-CZ 3.88Å; L204-F218 HydrophobicContact CD2-CZ 4.42Å; T214-F218 HydrophobicContact CG2-CD2 4.41Å; T214-F218 HydrophobicContact CG2-CE2 4.07Å; T214-F218 VanDerWaalsContact O-CD2 3.24Å; T214-F218 WeakPolarHBondContact O-CD2 3.37Å; T214-F218 PolarHBondContact O-N 3.37Å; L215-F218 WeakPolarHBondContact O-CB 3.33Å; L215-F218 PolarHBondContact O-N 3.03Å; R216-F218 VanDerWaalsContact C-N 3.32Å; F218-K220 PolarHBondContact O-N 3.08Å; F218-A221 PolarHBondContact O-N 3.42Å; F218-L222 WeakPolarHBondContact O-CB 3.46Å; F218-L222 WeakPolarHBondContact O-CG 3.15Å; F218-L222 PolarHBondContact O-N 3.16Å; F218-F231 HydrophobicContact CB-CE2 4.23Å; F218-F231 HydrophobicContact CB-CZ 3.93Å; F218-F231 AromaticContact CD1-CE2 3.83Å; F218-F231 HydrophobicContact CD1-CE2 3.83Å; F218-F231 HydrophobicContact CD1-CZ 4.11Å; F218-F231 HydrophobicContact CG-CE2 4.23Å; F218-F231 HydrophobicContact CG-CZ 4.06Å
219A96.2Very high94.8Very high0 Ų054.5 Ų54.50%028%0.281CS..Hα-helixtrans-59.5-47.1175.800000111.4L215 R216 A221 L222 E223 A245 F246 M249L215-A219 PolarHBondContact O-N 3.26Å; R216-A219 PolarHBondContact O-N 3.21Å; A219-A221 PolarHBondContact O-N 3.2Å; A219-L222 WeakPolarHBondContact O-CB 3.46Å; A219-L222 PolarHBondContact O-N 2.92Å; A219-L222 VanDerWaalsContact O-N 3.17Å; A219-E223 PolarHBondContact O-N 3.07Å; A219-A245 HydrophobicContact CB-CB 3.81Å; A219-F246 HydrophobicContact CB-CD2 4.06Å; A219-F246 HydrophobicContact CB-CE2 4.08Å; A219-F246 HydrophobicContact CB-CG 4.28Å; A219-F246 HydrophobicContact CB-CZ 4.32Å; A219-M249 HydrophobicContact CB-CB 4.42Å; A219-M249 WeakPolarHBondContact O-CG 2.98Å
220K95.9Very high95.5Very high128 Ų12852.5 Ų52.556%0.55727%0.266SS*.Hα-helixtrans-61.7-40.3175.9-71.8-175.4175.8-170.40113.3R216 E217 F218 L222 E223R216-K220 PolarHBondContact O-N 3.04Å; E217-K220 PolarHBondContact O-N 3.47Å; F218-K220 PolarHBondContact O-N 3.08Å; K220-L222 VanDerWaalsContact C-N 3.28Å; K220-L222 PolarHBondContact O-N 3.25Å; K220-E223 WeakPolarHBondContact O-CB 3.25Å; K220-E223 PolarHBondContact O-N 3.39Å
221A96.1Very high95.7Very high8 Ų852 Ų527%0.06626%0.263CS..Hα-helixtrans-66-34.1177.500000111.7L189 M192 K193 E217 F218 A219 E223 N225L189-A221 HydrophobicContact CD1-CB 4.3Å; M192-A221 HydrophobicContact CB-CB 4.31Å; K193-A221 HydrophobicContact CG-CB 3.8Å; E217-A221 VanDerWaalsContact O-CB 3.32Å; E217-A221 WeakPolarHBondContact O-CB 3.41Å; E217-A221 PolarHBondContact O-N 3.03Å; F218-A221 PolarHBondContact O-N 3.42Å; A219-A221 PolarHBondContact O-N 3.2Å; A221-E223 VanDerWaalsContact C-N 3.32Å; A221-N225 WeakPolarHBondContact O-CB 3.41Å; A221-N225 PolarHBondContact O-N 3.28Å
222L95.9Very high95.9Very high0 Ų049.2 Ų49.20%025%0.246CC..Hα-helixtrans-69-26.7176.3-78169.5000113.2M192 F218 A219 K220 T224 N225 V228 F231 F246 M249 N253M192-L222 HydrophobicContact CE-CD1 4.02Å; M192-L222 HydrophobicContact CE-CD2 3.32Å; M192-L222 HydrophobicContact CE-CG 3.32Å; F218-L222 WeakPolarHBondContact O-CB 3.46Å; F218-L222 WeakPolarHBondContact O-CG 3.15Å; F218-L222 PolarHBondContact O-N 3.16Å; A219-L222 WeakPolarHBondContact O-CB 3.46Å; A219-L222 PolarHBondContact O-N 2.92Å; A219-L222 VanDerWaalsContact O-N 3.17Å; K220-L222 VanDerWaalsContact C-N 3.28Å; K220-L222 PolarHBondContact O-N 3.25Å; L222-T224 PolarHBondContact O-N 3.5Å; L222-N225 HydrophobicContact CD2-CB 4.43Å; L222-N225 PolarHBondContact O-N 3.21Å; L222-V228 HydrophobicContact CD2-CB 3.91Å; L222-V228 HydrophobicContact CD2-CG1 3.92Å; L222-V228 HydrophobicContact CD2-CG2 4.37Å; L222-F231 HydrophobicContact CD1-CB 4.41Å; L222-F231 HydrophobicContact CD1-CD2 3.74Å; L222-F231 HydrophobicContact CD1-CE2 4.11Å; L222-F231 HydrophobicContact CD1-CG 3.96Å; L222-F246 HydrophobicContact CD1-CE1 3.76Å; L222-F246 HydrophobicContact CD1-CZ 4.47Å; L222-M249 HydrophobicContact CB-CE 4.11Å; L222-M249 HydrophobicContact CB-CG 3.6Å; L222-M249 HydrophobicContact CB-SD 3.75Å; L222-M249 HydrophobicContact CD1-CE 3.83Å; L222-N253 PolarHBondContact O-ND2 2.69Å
223E95.4Very high96Very high69 Ų6947 Ų4732%0.32223%0.234SC..Hα-helixtrans-53.4-41.8177.6-72.3169.7-161.300112A219 K220 A221 M249 V252A219-E223 PolarHBondContact O-N 3.07Å; K220-E223 WeakPolarHBondContact O-CB 3.25Å; K220-E223 PolarHBondContact O-N 3.39Å; A221-E223 VanDerWaalsContact C-N 3.32Å; E223-M249 HydrophobicContact CG-CB 3.89Å; E223-M249 HydrophobicContact CG-CG 3.88Å; E223-V252 HydrophobicContact CB-CG1 4.43Å
224T94.4Very high96Very high105 Ų10543.6 Ų43.664%0.64421%0.214SC*.Hα-helixtrans-99.9-7.7-178.757.40000114.1L222L222-T224 PolarHBondContact O-N 3.5Å
225N95.7Very high95.9Very high2 Ų243.3 Ų43.31%0.01121%0.214CC..  trans-75.9135.9-176.2-171.4-79.3000111.1M192 N195 A221 L222 H227 V228 N253 T255M192-N225 PolarHBondContact O-ND2 3.13Å; N195-N225 PolarHBondContact OD1-ND2 3.24Å; A221-N225 WeakPolarHBondContact O-CB 3.41Å; A221-N225 PolarHBondContact O-N 3.28Å; L222-N225 HydrophobicContact CD2-CB 4.43Å; L222-N225 PolarHBondContact O-N 3.21Å; N225-H227 PolarHBondContact OD1-N 2.92Å; N225-V228 WeakPolarHBondContact OD1-CB 3.43Å; N225-V228 WeakPolarHBondContact OD1-CG2 3.23Å; N225-V228 PolarHBondContact OD1-N 3.23Å; N225-N253 PolarHBondContact O-ND2 2.76Å; N225-T255 PolarHBondContact O-OG1 2.92Å; N225-T255 VanDerWaalsContact O-OG1 3.07Å
226T95.6Very high95.8Very high77 Ų7743.4 Ų43.447%0.47222%0.215SC..SBendtrans-111.9-0.3-176.756.90000114.5N195 T255N195-T226 PolarHBondContact ND2-OG1 3.34Å; N195-T226 PolarHBondContact OD1-N 2.9Å; N195-T226 PolarHBondContact OD1-OG1 2.85Å; T226-T255 WeakPolarHBondContact O-CG2 3.29Å
227H96Very high95.7Very high63 Ų6344.7 Ų44.729%0.29222%0.22SC..SBendtrans-116.5-32.1-169.3-64.4-60.9000113.8N195 N225 K229N195-H227 PolarHBondContact O-CD2 3.13Å; N195-H227 VanDerWaalsContact O-CD2 3.25Å; N195-H227 PolarHBondContact OD1-CD2 3.27Å; N195-H227 VanDerWaalsContact OD1-CD2 3.24Å; N225-H227 PolarHBondContact OD1-N 2.92Å; H227-K229 PolarHBondContact O-N 3.49Å
228V97.1Very high95.6Very high0 Ų040.9 Ų40.90%020%0.202CC..  trans-69.6119.2179178.80000109.5M192 L199 V202 L222 N225 L256M192-V228 HydrophobicContact CE-CG2 4.49Å; M192-V228 HydrophobicContact CG-CG2 4.21Å; L199-V228 HydrophobicContact CD2-CG2 4.49Å; L199-V228 HydrophobicContact CG-CG2 4.36Å; L199-V228 WeakPolarHBondContact O-CG2 3.26Å; V202-V228 HydrophobicContact CG2-CG1 4.12Å; V202-V228 HydrophobicContact CG2-CG2 4.1Å; L222-V228 HydrophobicContact CD2-CB 3.91Å; L222-V228 HydrophobicContact CD2-CG1 3.92Å; L222-V228 HydrophobicContact CD2-CG2 4.37Å; N225-V228 WeakPolarHBondContact OD1-CB 3.43Å; N225-V228 WeakPolarHBondContact OD1-CG2 3.23Å; N225-V228 PolarHBondContact OD1-N 3.23Å; V228-L256 HydrophobicContact CG1-CD1 4.15Å
229K97.2Very high95.6Very high104 Ų10443.4 Ų43.445%0.45222%0.215SC..  trans-102.3-28.3178.8-66.8-179.3-176.9173.80112.5Q200 H227 T257 S258Q200-K229 PolarHBondContact O-N 3.47Å; H227-K229 PolarHBondContact O-N 3.49Å; K229-T257 PolarHBondContact O-N 3.19Å; K229-T257 PolarHBondContact O-OG1 3.16Å; K229-S258 PolarHBondContact O-N 3.43Å
230K97.8Very high95.6Very high96 Ų9645 Ų4542%0.41722%0.224SC..EExtended strand (participates in β ladder)trans-131.1128.3-178.4-58.1-175.7-169.2161.80111Q200 E201 V202 S258Q200-K230 PolarHBondContact O-N 3.37Å; E201-K230 WeakPolarHBondContact CA-O 3.35Å; E201-K230 HydrophobicContact CB-CB 4.33Å; E201-K230 HydrophobicContact CG-CB 4.01Å; E201-K230 HydrophobicContact CG-CD 4.3Å; E201-K230 WeakPolarHBondContact OE2-CD 3.33Å; E201-K230 IonicContact OE2-NZ 3.24Å; E201-K230 PolarHBondContact OE2-NZ 3.19Å; E201-K230 VanDerWaalsContact OE2-NZ 3.08Å; V202-K230 PolarHBondContact N-O 3.33Å; K230-S258 WeakPolarHBondContact CA-O 3.46Å
231F97.6Very high95.6Very high2 Ų241.9 Ų41.91%0.00922%0.217CC..EExtended strand (participates in β ladder)trans-129.6125.8176.7-168.7-86.3000109.9M192 V202 L204 F218 L222 L233 F246 L256 S258 L259 N260M192-F231 HydrophobicContact CE-CD2 4.19Å; M192-F231 HydrophobicContact CE-CE2 4Å; M192-F231 HydrophobicContact SD-CE2 4.22Å; V202-F231 HydrophobicContact CB-CD2 3.75Å; V202-F231 HydrophobicContact CB-CE2 4.05Å; V202-F231 HydrophobicContact CG1-CD2 3.87Å; V202-F231 HydrophobicContact CG1-CE2 3.62Å; V202-F231 HydrophobicContact CG2-CD2 4.5Å; V202-F231 WeakPolarHBondContact O-CA 3.28Å; L204-F231 HydrophobicContact CD1-CE2 4.44Å; L204-F231 HydrophobicContact CD1-CZ 3.84Å; F218-F231 HydrophobicContact CB-CE2 4.23Å; F218-F231 HydrophobicContact CB-CZ 3.93Å; F218-F231 AromaticContact CD1-CE2 3.83Å; F218-F231 HydrophobicContact CD1-CE2 3.83Å; F218-F231 HydrophobicContact CD1-CZ 4.11Å; F218-F231 HydrophobicContact CG-CE2 4.23Å; F218-F231 HydrophobicContact CG-CZ 4.06Å; L222-F231 HydrophobicContact CD1-CB 4.41Å; L222-F231 HydrophobicContact CD1-CD2 3.74Å; L222-F231 HydrophobicContact CD1-CE2 4.11Å; L222-F231 HydrophobicContact CD1-CG 3.96Å; F231-L233 HydrophobicContact CD1-CD2 3.74Å; F231-L233 HydrophobicContact CE1-CB 3.98Å; F231-L233 HydrophobicContact CE1-CD2 3.41Å; F231-L233 VanDerWaalsContact CE1-CD2 3.41Å; F231-L233 HydrophobicContact CE1-CG 4.27Å; F231-F246 AromaticContact CD1-CE1 3.61Å; F231-F246 HydrophobicContact CD1-CE1 3.61Å; F231-F246 AromaticContact CD1-CZ 3.81Å; F231-F246 HydrophobicContact CD1-CZ 3.81Å; F231-F246 AromaticContact CE1-CE1 3.62Å; F231-F246 HydrophobicContact CE1-CE1 3.62Å; F231-F246 HydrophobicContact CE1-CE2 4.37Å; F231-F246 AromaticContact CE1-CZ 3.28Å; F231-F246 HydrophobicContact CE1-CZ 3.28Å; F231-F246 HydrophobicContact CG-CE1 4.31Å; F231-F246 HydrophobicContact CZ-CE1 4.29Å; F231-F246 AromaticContact CZ-CZ 3.8Å; F231-F246 HydrophobicContact CZ-CZ 3.8Å; F231-L256 HydrophobicContact CB-CD1 3.82Å; F231-L256 HydrophobicContact CB-CD2 4.46Å; F231-S258 PolarHBondContact N-O 3.13Å; F231-L259 HydrophobicContact CB-CD1 4.35Å; F231-L259 HydrophobicContact CD1-CD1 4.02Å; F231-L259 WeakPolarHBondContact O-CA 3.37Å; F231-N260 PolarHBondContact O-N 3.46Å
232S97.2Very high95.6Very high17 Ų1741.5 Ų41.512%0.11921%0.213CC..EExtended strand (participates in β ladder)trans-131.1125.8-177.2-167.70000110.2V202 L204 N205 N260V202-S232 PolarHBondContact O-N 3.16Å; L204-S232 PolarHBondContact N-O 2.89Å; N205-S232 PolarHBondContact ND2-OG 3.31Å; N205-S232 WeakPolarHBondContact OD1-CB 3.47Å; N205-S232 PolarHBondContact OD1-OG 3.01Å; S232-N260 WeakPolarHBondContact OG-CB 3.44Å
233L95.8Very high95.6Very high0 Ų041.5 Ų41.50%021%0.213CC..  trans-13239.2178.270.7126.3000112.1F231 T236 S238 V242 F246 L259 N260 I261 N264F231-L233 HydrophobicContact CD1-CD2 3.74Å; F231-L233 HydrophobicContact CE1-CB 3.98Å; F231-L233 HydrophobicContact CE1-CD2 3.41Å; F231-L233 VanDerWaalsContact CE1-CD2 3.41Å; F231-L233 HydrophobicContact CE1-CG 4.27Å; L233-T236 HydrophobicContact CB-CG2 4.23Å; L233-T236 WeakPolarHBondContact O-CG2 3.36Å; L233-T236 PolarHBondContact O-OG1 3.38Å; L233-S238 WeakPolarHBondContact CD1-OG 3.5Å; L233-V242 HydrophobicContact CD1-CG1 4.33Å; L233-F246 HydrophobicContact CD2-CE1 4.24Å; L233-F246 HydrophobicContact CD2-CE2 3.95Å; L233-F246 HydrophobicContact CD2-CZ 3.82Å; L233-L259 HydrophobicContact CD2-CD1 4.39Å; L233-N260 PolarHBondContact N-O 2.95Å; L233-I261 HydrophobicContact CD1-CG2 3.76Å; L233-I261 HydrophobicContact CD2-CB 4.45Å; L233-I261 HydrophobicContact CD2-CD1 4.2Å; L233-I261 HydrophobicContact CD2-CG1 3.88Å; L233-I261 HydrophobicContact CD2-CG2 4.14Å; L233-I261 HydrophobicContact CG-CB 4.48Å; L233-I261 HydrophobicContact CG-CG1 4.43Å; L233-I261 HydrophobicContact CG-CG2 3.96Å; L233-N264 PolarHBondContact O-ND2 3.12Å
234A94.8Very high95.7Very high11 Ų1141.8 Ų41.89%0.09122%0.216CC..THydrogen-bonded Turntrans-67.9140.6-176.900000111.7N205 N206 T236 E262N205-A234 CarbonylContact C-O 3.58Å; N205-A234 VanDerWaalsContact CA-O 3.29Å; N205-A234 WeakPolarHBondContact CA-O 3.44Å; N205-A234 HydrophobicContact CB-CB 4.42Å; N205-A234 WeakPolarHBondContact OD1-CB 3.49Å; N205-A234 PolarHBondContact OD1-N 2.96Å; N206-A234 PolarHBondContact N-O 3.23Å; A234-T236 VanDerWaalsContact C-N 3.31Å; A234-T236 PolarHBondContact O-N 3.07Å; A234-E262 VanDerWaalsContact CA-O 3.22Å; A234-E262 WeakPolarHBondContact CA-O 3.36Å; A234-E262 HydrophobicContact CB-CB 4.29Å
235A93.2Very high95.9Very high26 Ų2637.4 Ų37.422%0.21519%0.191CC..THydrogen-bonded Turntrans5639178.600000114.9E262 S263A235-E262 PolarHBondContact N-O 3.31Å; A235-E262 VanDerWaalsContact N-O 3.09Å; A235-S263 VanDerWaalsContact CA-O 3.3Å; A235-S263 WeakPolarHBondContact CA-O 3.48Å
236T93.1Very high95.9Very high2 Ų237.3 Ų37.31%0.01219%0.191CC..SBendtrans-103.54.6179.855.80000113.9L204 I210 L233 A234 S238 N264L204-T236 HydrophobicContact CB-CG2 4.43Å; L204-T236 WeakPolarHBondContact O-CG2 3.37Å; I210-T236 HydrophobicContact CD1-CG2 4.26Å; L233-T236 HydrophobicContact CB-CG2 4.23Å; L233-T236 WeakPolarHBondContact O-CG2 3.36Å; L233-T236 PolarHBondContact O-OG1 3.38Å; A234-T236 VanDerWaalsContact C-N 3.31Å; A234-T236 PolarHBondContact O-N 3.07Å; T236-S238 VanDerWaalsContact C-N 3.29Å; T236-S238 PolarHBondContact O-N 3.1Å; T236-S238 PolarHBondContact OG1-OG 2.97Å; T236-N264 PolarHBondContact N-OD1 3.4Å; T236-N264 VanDerWaalsContact N-OD1 3.09Å; T236-N264 PolarHBondContact OG1-OD1 3.25Å
237R92.6Very high96Very high149 Ų14933.8 Ų33.856%0.56217%0.169SC*.  trans63.430.9-173.9-56.4178.7164.8173.3-5.3113.9N264 F265R237-N264 PolarHBondContact N-OD1 3.14Å; R237-N264 VanDerWaalsContact N-OD1 3.11Å; R237-F265 HydrophobicContact CB-CD2 4.19Å; R237-F265 HydrophobicContact CB-CE2 4.02Å; R237-F265 HydrophobicContact CG-CD2 4.49Å; R237-F265 HydrophobicContact CG-CE2 3.82Å; R237-F265 HydrophobicContact CG-CZ 4.47Å
238S94.4Very high96Very high0 Ų034.8 Ų34.80%018%0.177CC..  trans-67.3151.1175.8-66.60000112.5L215 L233 T236 N264 F265L215-S238 VanDerWaalsContact CD1-OG 3.29Å; L215-S238 WeakPolarHBondContact CD1-OG 3.32Å; L233-S238 WeakPolarHBondContact CD1-OG 3.5Å; T236-S238 VanDerWaalsContact C-N 3.29Å; T236-S238 PolarHBondContact O-N 3.1Å; T236-S238 PolarHBondContact OG1-OG 2.97Å; S238-N264 PolarHBondContact N-OD1 2.91Å; S238-F265 CarbonylContact O-C 3.47Å; S238-F265 WeakPolarHBondContact O-CA 3.38Å; S238-F265 WeakPolarHBondContact O-CB 3.4Å; S238-F265 PolarHBondContact O-N 3.08Å
239N94.6Very high96Very high52 Ų5234.8 Ų34.828%0.27818%0.177SC..  trans-131.2-178.8-175.460.38.5000111.8P241 V242 A243N239-P241 WeakPolarHBondContact OD1-CD 3.39Å; N239-V242 WeakPolarHBondContact O-CB 3.25Å; N239-V242 PolarHBondContact O-N 2.91Å; N239-A243 PolarHBondContact O-N 2.93Å; N239-A243 VanDerWaalsContact O-N 3.13Å
240D96.2Very high96Very high33 Ų3329.9 Ų29.918%0.17616%0.155CC..Hα-helixtrans-54-42.2-176.1-61.4-22000114.6V242 A243 I244 I266 T267 T269D240-V242 PolarHBondContact O-N 2.85Å; D240-A243 WeakPolarHBondContact O-CB 3.38Å; D240-A243 PolarHBondContact O-N 3.49Å; D240-A243 VanDerWaalsContact O-N 3.08Å; D240-I244 WeakPolarHBondContact O-CG1 3.45Å; D240-I244 PolarHBondContact O-N 2.71Å; D240-I266 WeakPolarHBondContact OD1-CA 3.33Å; D240-I266 WeakPolarHBondContact OD1-CG2 3.37Å; D240-T267 PolarHBondContact OD1-N 3.49Å; D240-T267 PolarHBondContact OD1-OG1 2.86Å; D240-T267 WeakPolarHBondContact OD2-CB 3.45Å; D240-T267 WeakPolarHBondContact OD2-CG2 3.3Å; D240-T267 PolarHBondContact OD2-OG1 3.26Å; D240-T269 PolarHBondContact OD2-OG1 3.09Å
241P96.3Very high95.9Very high63 Ų6328.7 Ų28.741%0.40915%0.15SC..Hα-helixtrans-55.8-33.9172.9-29.334000115N239 A245N239-P241 WeakPolarHBondContact OD1-CD 3.39Å; P241-A245 PolarHBondContact O-N 3.17Å
242V96.3Very high95.8Very high0 Ų032.9 Ų32.90%018%0.176CC..Hα-helixtrans-71.4-48.1174.2179.30000109.2I212 L215 L233 N239 D240 I244 A245 F246I212-V242 HydrophobicContact CD1-CG2 4.01Å; I212-V242 HydrophobicContact CG2-CG2 3.82Å; L215-V242 HydrophobicContact CB-CG1 4.01Å; L215-V242 HydrophobicContact CB-CG2 3.94Å; L215-V242 HydrophobicContact CD1-CG2 4.18Å; L233-V242 HydrophobicContact CD1-CG1 4.33Å; N239-V242 WeakPolarHBondContact O-CB 3.25Å; N239-V242 PolarHBondContact O-N 2.91Å; D240-V242 PolarHBondContact O-N 2.85Å; V242-I244 VanDerWaalsContact C-N 3.31Å; V242-I244 PolarHBondContact O-N 3.21Å; V242-A245 PolarHBondContact O-N 2.79Å; V242-A245 VanDerWaalsContact O-N 3.11Å; V242-F246 HydrophobicContact CG1-CD2 3.7Å; V242-F246 HydrophobicContact CG1-CE2 3.69Å; V242-F246 WeakPolarHBondContact O-CD2 3.48Å; V242-F246 PolarHBondContact O-N 2.6Å
243A96.8Very high95.7Very high0 Ų032.1 Ų32.10%017%0.171CC..Hα-helixtrans-56.5-43.3178.500000112.6N239 D240 F246 A247 I266 L274N239-A243 PolarHBondContact O-N 2.93Å; N239-A243 VanDerWaalsContact O-N 3.13Å; D240-A243 WeakPolarHBondContact O-CB 3.38Å; D240-A243 PolarHBondContact O-N 3.49Å; D240-A243 VanDerWaalsContact O-N 3.08Å; A243-F246 PolarHBondContact O-N 3.36Å; A243-A247 PolarHBondContact O-N 3.07Å; A243-I266 HydrophobicContact CB-CD1 4.05Å; A243-I266 HydrophobicContact CB-CG1 4.27Å; A243-I266 HydrophobicContact CB-CG2 3.72Å; A243-L274 HydrophobicContact CB-CD1 4Å; A243-L274 HydrophobicContact CB-CG 4.31Å; A243-L274 WeakPolarHBondContact O-CD2 3.43Å
244I97.3Very high95.7Very high75 Ų7536.7 Ų36.739%0.38519%0.19SC..Hα-helixtrans-63.8-43.4176.5-65.6164.6000110.9D240 V242 F246 A247 D248 A273D240-I244 WeakPolarHBondContact O-CG1 3.45Å; D240-I244 PolarHBondContact O-N 2.71Å; V242-I244 VanDerWaalsContact C-N 3.31Å; V242-I244 PolarHBondContact O-N 3.21Å; I244-F246 VanDerWaalsContact C-N 3.3Å; I244-F246 PolarHBondContact O-N 2.74Å; I244-A247 WeakPolarHBondContact O-CA 3.37Å; I244-A247 WeakPolarHBondContact O-CB 3.47Å; I244-A247 PolarHBondContact O-N 2.86Å; I244-A247 VanDerWaalsContact O-N 3.07Å; I244-D248 PolarHBondContact O-N 3.27Å; I244-A273 HydrophobicContact CG1-CB 4.15Å
245A97.5Very high95.8Very high14 Ų1437.9 Ų37.912%0.11620%0.196CC..Hα-helixtrans-62.1-38.4176.200000112.1R216 A219 P241 V242 M249R216-A245 HydrophobicContact CB-CB 4.48Å; R216-A245 HydrophobicContact CG-CB 4.17Å; A219-A245 HydrophobicContact CB-CB 3.81Å; P241-A245 PolarHBondContact O-N 3.17Å; V242-A245 PolarHBondContact O-N 2.79Å; V242-A245 VanDerWaalsContact O-N 3.11Å; A245-M249 WeakPolarHBondContact O-CB 3.29Å; A245-M249 PolarHBondContact O-N 3.16Å
246F97.1Very high96Very high0 Ų036.6 Ų36.60%019%0.186CC..Hα-helixtrans-68.4-34.3172.7-85.7-87.4000112.3A219 L222 F231 L233 V242 A243 I244 M249 L250 L259 I261 L274A219-F246 HydrophobicContact CB-CD2 4.06Å; A219-F246 HydrophobicContact CB-CE2 4.08Å; A219-F246 HydrophobicContact CB-CG 4.28Å; A219-F246 HydrophobicContact CB-CZ 4.32Å; L222-F246 HydrophobicContact CD1-CE1 3.76Å; L222-F246 HydrophobicContact CD1-CZ 4.47Å; F231-F246 AromaticContact CD1-CE1 3.61Å; F231-F246 HydrophobicContact CD1-CE1 3.61Å; F231-F246 AromaticContact CD1-CZ 3.81Å; F231-F246 HydrophobicContact CD1-CZ 3.81Å; F231-F246 AromaticContact CE1-CE1 3.62Å; F231-F246 HydrophobicContact CE1-CE1 3.62Å; F231-F246 HydrophobicContact CE1-CE2 4.37Å; F231-F246 AromaticContact CE1-CZ 3.28Å; F231-F246 HydrophobicContact CE1-CZ 3.28Å; F231-F246 HydrophobicContact CG-CE1 4.31Å; F231-F246 HydrophobicContact CZ-CE1 4.29Å; F231-F246 AromaticContact CZ-CZ 3.8Å; F231-F246 HydrophobicContact CZ-CZ 3.8Å; L233-F246 HydrophobicContact CD2-CE1 4.24Å; L233-F246 HydrophobicContact CD2-CE2 3.95Å; L233-F246 HydrophobicContact CD2-CZ 3.82Å; V242-F246 HydrophobicContact CG1-CD2 3.7Å; V242-F246 HydrophobicContact CG1-CE2 3.69Å; V242-F246 WeakPolarHBondContact O-CD2 3.48Å; V242-F246 PolarHBondContact O-N 2.6Å; A243-F246 PolarHBondContact O-N 3.36Å; I244-F246 VanDerWaalsContact C-N 3.3Å; I244-F246 PolarHBondContact O-N 2.74Å; F246-M249 HydrophobicContact CD1-CE 3.45Å; F246-M249 VanDerWaalsContact CD1-CE 3.45Å; F246-M249 HydrophobicContact CE1-CE 3.97Å; F246-M249 HydrophobicContact CG-CE 4.4Å; F246-M249 PolarHBondContact O-N 3.09Å; F246-L250 WeakPolarHBondContact O-CB 3.29Å; F246-L250 VanDerWaalsContact O-CG 3.25Å; F246-L250 WeakPolarHBondContact O-CG 3.48Å; F246-L250 PolarHBondContact O-N 3.41Å; F246-L259 HydrophobicContact CD1-CD1 3.87Å; F246-L259 HydrophobicContact CD1-CD2 4.33Å; F246-L259 HydrophobicContact CE1-CD1 4.03Å; F246-I261 HydrophobicContact CG-CD1 4.49Å; F246-L274 HydrophobicContact CB-CD2 3.82Å
247A97.1Very high96.2Very high3 Ų338.8 Ų38.83%0.02520%0.2CC..Hα-helixtrans-63.4-47.6174.300000111.6A243 I244 M249 L250 K251 A273 L274 A277A243-A247 PolarHBondContact O-N 3.07Å; I244-A247 WeakPolarHBondContact O-CA 3.37Å; I244-A247 WeakPolarHBondContact O-CB 3.47Å; I244-A247 PolarHBondContact O-N 2.86Å; I244-A247 VanDerWaalsContact O-N 3.07Å; A247-M249 VanDerWaalsContact C-N 3.29Å; A247-M249 PolarHBondContact O-N 3.18Å; A247-L250 PolarHBondContact O-N 3.29Å; A247-K251 PolarHBondContact O-N 3.34Å; A247-A273 HydrophobicContact CB-CB 4.04Å; A247-A273 VanDerWaalsContact CB-O 3.32Å; A247-A273 WeakPolarHBondContact CB-O 3.45Å; A247-L274 HydrophobicContact CB-CD2 4.22Å; A247-A277 HydrophobicContact CB-CB 4.03Å; A247-A277 WeakPolarHBondContact O-CB 3.4Å
248D96.8Very high96.4Very high84 Ų8432.7 Ų32.745%0.44918%0.179SC..Hα-helixtrans-59.8-43.1175.8-67.2-26.4000110.9I244 L250 K251I244-D248 PolarHBondContact O-N 3.27Å; D248-L250 PolarHBondContact O-N 3.37Å; D248-K251 PolarHBondContact O-N 3.29Å
249M96.6Very high96.6Very high0 Ų032.7 Ų32.70%018%0.179CC..Hα-helixtrans-61.6-41.4175.3177.2-81.7-63.600112.7A219 L222 E223 A245 F246 A247 K251 V252 N253 L256A219-M249 HydrophobicContact CB-CB 4.42Å; A219-M249 WeakPolarHBondContact O-CG 2.98Å; L222-M249 HydrophobicContact CB-CE 4.11Å; L222-M249 HydrophobicContact CB-CG 3.6Å; L222-M249 HydrophobicContact CB-SD 3.75Å; L222-M249 HydrophobicContact CD1-CE 3.83Å; E223-M249 HydrophobicContact CG-CB 3.89Å; E223-M249 HydrophobicContact CG-CG 3.88Å; A245-M249 WeakPolarHBondContact O-CB 3.29Å; A245-M249 PolarHBondContact O-N 3.16Å; F246-M249 HydrophobicContact CD1-CE 3.45Å; F246-M249 VanDerWaalsContact CD1-CE 3.45Å; F246-M249 HydrophobicContact CE1-CE 3.97Å; F246-M249 HydrophobicContact CG-CE 4.4Å; F246-M249 PolarHBondContact O-N 3.09Å; A247-M249 VanDerWaalsContact C-N 3.29Å; A247-M249 PolarHBondContact O-N 3.18Å; M249-K251 PolarHBondContact O-N 2.94Å; M249-V252 PolarHBondContact O-N 3.48Å; M249-V252 VanDerWaalsContact O-N 3.08Å; M249-N253 HydrophobicContact CG-CB 4.22Å; M249-N253 WeakPolarHBondContact O-CB 3.46Å; M249-N253 PolarHBondContact O-N 2.98Å; M249-N253 HydrophobicContact SD-CB 3.43Å; M249-N253 WeakPolarHBondContact SD-CB 3.35Å; M249-L256 HydrophobicContact CE-CD2 4.01Å
250L96.7Very high96.7Very high0 Ų031 Ų310%017%0.17CC..Hα-helixtrans-63.2-27.2179.2-77.2172.2000112.6F246 A247 D248 V252 L256 L259 L274 A277 L278 N281 L284F246-L250 WeakPolarHBondContact O-CB 3.29Å; F246-L250 VanDerWaalsContact O-CG 3.25Å; F246-L250 WeakPolarHBondContact O-CG 3.48Å; F246-L250 PolarHBondContact O-N 3.41Å; A247-L250 PolarHBondContact O-N 3.29Å; D248-L250 PolarHBondContact O-N 3.37Å; L250-V252 VanDerWaalsContact C-N 3.3Å; L250-V252 PolarHBondContact O-N 3.19Å; L250-L256 HydrophobicContact CD2-CD2 4.29Å; L250-L259 HydrophobicContact CD1-CD2 3.91Å; L250-L259 HydrophobicContact CD2-CD2 4.39Å; L250-L259 HydrophobicContact CG-CD2 4.41Å; L250-L274 HydrophobicContact CD1-CD2 4.03Å; L250-A277 HydrophobicContact CB-CB 3.96Å; L250-L278 HydrophobicContact CD1-CD2 4.14Å; L250-N281 WeakPolarHBondContact O-CB 3.36Å; L250-N281 PolarHBondContact O-ND2 3.33Å; L250-L284 HydrophobicContact CD1-CD2 4.41Å; L250-L284 HydrophobicContact CD2-CD1 4.22Å; L250-L284 HydrophobicContact CD2-CD2 4.03Å
251K95.5Very high96.7Very high72 Ų7229.4 Ų29.431%0.31316%0.162SC..Hα-helixtrans-67.8-33.7174.9-64.5-179.4178.1-172.90112A247 D248 M249 A277 E280A247-K251 PolarHBondContact O-N 3.34Å; D248-K251 PolarHBondContact O-N 3.29Å; M249-K251 PolarHBondContact O-N 2.94Å; K251-A277 HydrophobicContact CG-CB 3.87Å; K251-E280 IonicContact NZ-OE1 2.68Å
252V96.1Very high96.7Very high89 Ų8928.9 Ų28.954%0.53915%0.154SC..Hα-helixtrans-93.7-45.9-175.4-177.70000112.4E223 M249 L250 K254E223-V252 HydrophobicContact CB-CG1 4.43Å; M249-V252 PolarHBondContact O-N 3.48Å; M249-V252 VanDerWaalsContact O-N 3.08Å; L250-V252 VanDerWaalsContact C-N 3.3Å; L250-V252 PolarHBondContact O-N 3.19Å; V252-K254 PolarHBondContact O-N 3.28Å
253N96.3Very high96.6Very high2 Ų231 Ų311%0.01117%0.169CC..  trans-71.5131.3-174-178.5-85.9000111.5L222 N225 M249 T255 L256 N281L222-N253 PolarHBondContact O-ND2 2.69Å; N225-N253 PolarHBondContact O-ND2 2.76Å; M249-N253 HydrophobicContact CG-CB 4.22Å; M249-N253 WeakPolarHBondContact O-CB 3.46Å; M249-N253 PolarHBondContact O-N 2.98Å; M249-N253 HydrophobicContact SD-CB 3.43Å; M249-N253 WeakPolarHBondContact SD-CB 3.35Å; N253-T255 PolarHBondContact ND2-OG1 2.72Å; N253-T255 VanDerWaalsContact ND2-OG1 3.08Å; N253-T255 PolarHBondContact OD1-N 3.31Å; N253-T255 PolarHBondContact OD1-OG1 3.02Å; N253-L256 VanDerWaalsContact OD1-CB 3.29Å; N253-L256 WeakPolarHBondContact OD1-CB 3.38Å; N253-L256 PolarHBondContact OD1-N 3.28Å; N253-N281 PolarHBondContact O-ND2 2.66Å
254K94.8Very high96.6Very high95 Ų9531 Ų3141%0.41317%0.169SC..SBendtrans-119.324-179-58.7-60-178176.90113.1V252 E280 D282 T283V252-K254 PolarHBondContact O-N 3.28Å; K254-E280 PolarHBondContact NZ-O 2.63Å; K254-D282 WeakPolarHBondContact CD-OD1 3.46Å; K254-D282 IonicContact NZ-OD1 3.58Å; K254-D282 PolarHBondContact NZ-OD1 2.69Å; K254-T283 HydrophobicContact CB-CG2 3.93Å; K254-T283 HydrophobicContact CD-CG2 4.02Å; K254-T283 WeakPolarHBondContact O-CG2 3.37Å
255T96.1Very high96.5Very high36 Ų3631.3 Ų31.322%0.22117%0.168CC..SBendtrans-126.1-28.2-176.263.80000113.5N225 T226 N253 T257N225-T255 PolarHBondContact O-OG1 2.92Å; N225-T255 VanDerWaalsContact O-OG1 3.07Å; T226-T255 WeakPolarHBondContact O-CG2 3.29Å; N253-T255 PolarHBondContact ND2-OG1 2.72Å; N253-T255 VanDerWaalsContact ND2-OG1 3.08Å; N253-T255 PolarHBondContact OD1-N 3.31Å; N253-T255 PolarHBondContact OD1-OG1 3.02Å; T255-T257 PolarHBondContact O-N 2.97Å
256L97.2Very high96.4Very high0 Ų030.7 Ų30.70%016%0.163CC..  trans-68.1130.3179.1-165.172.1000109.9V228 F231 M249 L250 N253 L259 T283 L284V228-L256 HydrophobicContact CG1-CD1 4.15Å; F231-L256 HydrophobicContact CB-CD1 3.82Å; F231-L256 HydrophobicContact CB-CD2 4.46Å; M249-L256 HydrophobicContact CE-CD2 4.01Å; L250-L256 HydrophobicContact CD2-CD2 4.29Å; N253-L256 VanDerWaalsContact OD1-CB 3.29Å; N253-L256 WeakPolarHBondContact OD1-CB 3.38Å; N253-L256 PolarHBondContact OD1-N 3.28Å; L256-L259 HydrophobicContact CD2-CB 4.15Å; L256-L259 HydrophobicContact CD2-CD1 4.37Å; L256-T283 CarbonylContact O-C 3.44Å; L256-T283 PolarHBondContact O-OG1 3.33Å; L256-L284 HydrophobicContact CB-CD1 4.44Å; L256-L284 HydrophobicContact CD2-CD1 4.11Å; L256-L284 HydrophobicContact CG-CD1 4.04Å; L256-L284 PolarHBondContact O-N 2.7Å
257T97.3Very high96.3Very high48 Ų4832.5 Ų32.529%0.29417%0.174SC..  trans-114.1-26.3-178.560.20000112.7K229 T255 T285 E286K229-T257 PolarHBondContact O-N 3.19Å; K229-T257 PolarHBondContact O-OG1 3.16Å; T255-T257 PolarHBondContact O-N 2.97Å; T257-T285 PolarHBondContact O-N 3.14Å; T257-T285 PolarHBondContact O-OG1 2.98Å; T257-E286 PolarHBondContact O-N 3.26Å
258S97.9Very high96.2Very high20 Ų2033 Ų3314%0.1418%0.179CC..EExtended strand (participates in β ladder)trans-136.1128.4179.5-174.30000111.5K229 K230 F231 E286K229-S258 PolarHBondContact O-N 3.43Å; K230-S258 WeakPolarHBondContact CA-O 3.46Å; F231-S258 PolarHBondContact N-O 3.13Å; S258-E286 VanDerWaalsContact CA-O 3.32Å; S258-E286 WeakPolarHBondContact CA-O 3.44Å
259L97.8Very high96.1Very high0 Ų033.4 Ų33.40%019%0.185CC..EExtended strand (participates in β ladder)trans-127.8122.5176.5179.558.1000110.2F231 L233 F246 L250 L256 I261 L274 L284 E286 I287 K288F231-L259 HydrophobicContact CB-CD1 4.35Å; F231-L259 HydrophobicContact CD1-CD1 4.02Å; F231-L259 WeakPolarHBondContact O-CA 3.37Å; L233-L259 HydrophobicContact CD2-CD1 4.39Å; F246-L259 HydrophobicContact CD1-CD1 3.87Å; F246-L259 HydrophobicContact CD1-CD2 4.33Å; F246-L259 HydrophobicContact CE1-CD1 4.03Å; L250-L259 HydrophobicContact CD1-CD2 3.91Å; L250-L259 HydrophobicContact CD2-CD2 4.39Å; L250-L259 HydrophobicContact CG-CD2 4.41Å; L256-L259 HydrophobicContact CD2-CB 4.15Å; L256-L259 HydrophobicContact CD2-CD1 4.37Å; L259-I261 HydrophobicContact CD1-CD1 4.04Å; L259-I261 HydrophobicContact CD1-CG1 3.97Å; L259-I261 HydrophobicContact CD2-CD1 3.93Å; L259-I261 HydrophobicContact CD2-CG1 4.42Å; L259-I261 HydrophobicContact CG-CD1 3.92Å; L259-I261 HydrophobicContact CG-CG1 3.87Å; L259-L274 HydrophobicContact CD2-CD2 4.46Å; L259-L284 HydrophobicContact CB-CD1 4.04Å; L259-L284 HydrophobicContact CB-CD2 4.37Å; L259-E286 PolarHBondContact N-O 3.03Å; L259-I287 WeakPolarHBondContact O-CA 3.32Å; L259-K288 PolarHBondContact O-N 2.86Å
260N97.8Very high96.1Very high16 Ų1633.4 Ų33.49%0.08619%0.185CC..EExtended strand (participates in β ladder)trans-118.1120.6175.3-173.10.3000112F231 S232 L233 E262 K288F231-N260 PolarHBondContact O-N 3.46Å; S232-N260 WeakPolarHBondContact OG-CB 3.44Å; L233-N260 PolarHBondContact N-O 2.95Å; N260-E262 PolarHBondContact ND2-OE2 3.25Å; N260-E262 VanDerWaalsContact OD1-CB 3.27Å; N260-E262 WeakPolarHBondContact OD1-CB 3.03Å; N260-E262 WeakPolarHBondContact OD1-CG 3.46Å; N260-E262 PolarHBondContact OD1-N 3.4Å; N260-E262 PolarHBondContact OD1-OE2 3.33Å; N260-K288 HydrophobicContact CB-CB 4.13Å; N260-K288 HydrophobicContact CB-CD 4.33Å; N260-K288 WeakPolarHBondContact OD1-CB 3.37Å
261I95.9Very high96.1Very high1 Ų133.4 Ų33.41%0.00519%0.185CC..  trans-129.125.3179.3-34.7-169.6000111.3L233 F246 L259 N264 I266 L274 K288 Q292L233-I261 HydrophobicContact CD1-CG2 3.76Å; L233-I261 HydrophobicContact CD2-CB 4.45Å; L233-I261 HydrophobicContact CD2-CD1 4.2Å; L233-I261 HydrophobicContact CD2-CG1 3.88Å; L233-I261 HydrophobicContact CD2-CG2 4.14Å; L233-I261 HydrophobicContact CG-CB 4.48Å; L233-I261 HydrophobicContact CG-CG1 4.43Å; L233-I261 HydrophobicContact CG-CG2 3.96Å; F246-I261 HydrophobicContact CG-CD1 4.49Å; L259-I261 HydrophobicContact CD1-CD1 4.04Å; L259-I261 HydrophobicContact CD1-CG1 3.97Å; L259-I261 HydrophobicContact CD2-CD1 3.93Å; L259-I261 HydrophobicContact CD2-CG1 4.42Å; L259-I261 HydrophobicContact CG-CD1 3.92Å; L259-I261 HydrophobicContact CG-CG1 3.87Å; I261-N264 PolarHBondContact O-ND2 3.5Å; I261-I266 HydrophobicContact CB-CD1 4.23Å; I261-I266 HydrophobicContact CG2-CD1 3.22Å; I261-L274 HydrophobicContact CD1-CD1 3.9Å; I261-L274 HydrophobicContact CD1-CD2 4.32Å; I261-K288 PolarHBondContact N-O 3.39Å; I261-Q292 PolarHBondContact O-NE2 2.79Å
262E95.6Very high96.1Very high51 Ų5132.6 Ų32.624%0.23818%0.183CC..  trans-59156.8177.2-74.9163.8167.700113.3A234 A235 N260 N264 K288 D290A234-E262 VanDerWaalsContact CA-O 3.22Å; A234-E262 WeakPolarHBondContact CA-O 3.36Å; A234-E262 HydrophobicContact CB-CB 4.29Å; A235-E262 PolarHBondContact N-O 3.31Å; A235-E262 VanDerWaalsContact N-O 3.09Å; N260-E262 PolarHBondContact ND2-OE2 3.25Å; N260-E262 VanDerWaalsContact OD1-CB 3.27Å; N260-E262 WeakPolarHBondContact OD1-CB 3.03Å; N260-E262 WeakPolarHBondContact OD1-CG 3.46Å; N260-E262 PolarHBondContact OD1-N 3.4Å; N260-E262 PolarHBondContact OD1-OE2 3.33Å; E262-N264 VanDerWaalsContact C-N 3.32Å; E262-N264 PolarHBondContact O-N 3.03Å; E262-N264 PolarHBondContact O-ND2 2.74Å; E262-N264 VanDerWaalsContact O-ND2 3.07Å; E262-K288 HydrophobicContact CG-CB 3.9Å; E262-K288 WeakPolarHBondContact OE1-CB 3.3Å; E262-K288 WeakPolarHBondContact OE1-CD 3.3Å; E262-K288 WeakPolarHBondContact OE1-CG 3.48Å; E262-D290 VanDerWaalsContact CA-O 3.29Å; E262-D290 WeakPolarHBondContact CA-O 3.4Å; E262-D290 HydrophobicContact CG-CB 4.27Å
263S95.2Very high96.1Very high44 Ų4429.4 Ų29.431%0.30817%0.167SC..SBendtrans58.739.4170.8-64.10000114.3A235 D290 N291A235-S263 VanDerWaalsContact CA-O 3.3Å; A235-S263 WeakPolarHBondContact CA-O 3.48Å; S263-D290 PolarHBondContact N-O 2.89Å; S263-N291 VanDerWaalsContact CA-O 3.25Å; S263-N291 WeakPolarHBondContact CA-O 3.48Å; S263-N291 PolarHBondContact OG-ND2 2.99Å
264N95.8Very high96Very high2 Ų229.3 Ų29.31%0.01117%0.166CC..SBendtrans-117.4-169.6179.3-77.1-57.7000111.9L233 T236 R237 S238 I261 E262 I266 Q292 R293L233-N264 PolarHBondContact O-ND2 3.12Å; T236-N264 PolarHBondContact N-OD1 3.4Å; T236-N264 VanDerWaalsContact N-OD1 3.09Å; T236-N264 PolarHBondContact OG1-OD1 3.25Å; R237-N264 PolarHBondContact N-OD1 3.14Å; R237-N264 VanDerWaalsContact N-OD1 3.11Å; S238-N264 PolarHBondContact N-OD1 2.91Å; I261-N264 PolarHBondContact O-ND2 3.5Å; E262-N264 VanDerWaalsContact C-N 3.32Å; E262-N264 PolarHBondContact O-N 3.03Å; E262-N264 PolarHBondContact O-ND2 2.74Å; E262-N264 VanDerWaalsContact O-ND2 3.07Å; N264-I266 HydrophobicContact CB-CD1 4.21Å; N264-I266 HydrophobicContact CB-CG1 4.23Å; N264-Q292 WeakPolarHBondContact O-CA 3.3Å; N264-Q292 PolarHBondContact O-OE1 3.15Å; N264-Q292 VanDerWaalsContact O-OE1 3.1Å; N264-R293 PolarHBondContact O-N 3.48Å
265F95.6Very high96Very high81 Ų8124.9 Ų24.936%0.35515%0.147SC..  trans-111.236.7-175.4-63.7-115.4000110.2R237 S238 R293R237-F265 HydrophobicContact CB-CD2 4.19Å; R237-F265 HydrophobicContact CB-CE2 4.02Å; R237-F265 HydrophobicContact CG-CD2 4.49Å; R237-F265 HydrophobicContact CG-CE2 3.82Å; R237-F265 HydrophobicContact CG-CZ 4.47Å; S238-F265 CarbonylContact O-C 3.47Å; S238-F265 WeakPolarHBondContact O-CA 3.38Å; S238-F265 WeakPolarHBondContact O-CB 3.4Å; S238-F265 PolarHBondContact O-N 3.08Å; F265-R293 HydrophobicContact CD1-CB 4.18Å; F265-R293 HydrophobicContact CD1-CG 4.31Å; F265-R293 HydrophobicContact CE1-CG 4.47Å; F265-R293 HydrophobicContact CG-CB 4.41Å
266I95.9Very high95.9Very high1 Ų128.3 Ų28.31%0.00516%0.161CC..  trans-89.2129.9-178.1-57.1167.3000108.6D240 A243 I261 N264 I271D240-I266 WeakPolarHBondContact OD1-CA 3.33Å; D240-I266 WeakPolarHBondContact OD1-CG2 3.37Å; A243-I266 HydrophobicContact CB-CD1 4.05Å; A243-I266 HydrophobicContact CB-CG1 4.27Å; A243-I266 HydrophobicContact CB-CG2 3.72Å; I261-I266 HydrophobicContact CB-CD1 4.23Å; I261-I266 HydrophobicContact CG2-CD1 3.22Å; N264-I266 HydrophobicContact CB-CD1 4.21Å; N264-I266 HydrophobicContact CB-CG1 4.23Å; I266-I271 HydrophobicContact CB-CD1 4.29Å; I266-I271 HydrophobicContact CG2-CD1 3.68Å; I266-I271 HydrophobicContact CG2-CG1 3.92Å
267T95.6Very high95.8Very high38 Ų3828.3 Ų28.323%0.23316%0.161CC..  trans-88.2175.4178.376.50000110.8D240 T269 G270 I271D240-T267 PolarHBondContact OD1-N 3.49Å; D240-T267 PolarHBondContact OD1-OG1 2.86Å; D240-T267 WeakPolarHBondContact OD2-CB 3.45Å; D240-T267 WeakPolarHBondContact OD2-CG2 3.3Å; D240-T267 PolarHBondContact OD2-OG1 3.26Å; T267-T269 PolarHBondContact O-N 2.93Å; T267-T269 VanDerWaalsContact O-N 3.12Å; T267-T269 PolarHBondContact OG1-N 3.32Å; T267-T269 PolarHBondContact OG1-OG1 2.93Å; T267-G270 PolarHBondContact O-N 3Å; T267-I271 PolarHBondContact O-N 2.58Å; T267-I271 VanDerWaalsContact O-N 3.16Å
268G94.8Very high95.6Very high14 Ų1426.1 Ų26.114%0.14415%0.147CC..Hα-helixtrans-52.8-32.1173.500000113.6I271 L272G268-I271 PolarHBondContact O-N 3.05Å; G268-L272 WeakPolarHBondContact O-CB 3.33Å; G268-L272 VanDerWaalsContact O-CG 3.25Å; G268-L272 WeakPolarHBondContact O-CG 3.32Å; G268-L272 PolarHBondContact O-N 3.46Å
269T94.8Very high95.2Very high92 Ų9229.5 Ų29.556%0.56416%0.159SC*.Hα-helixtrans-66.7-46.7-179.964.90000112.5D240 T267 L272 A273D240-T269 PolarHBondContact OD2-OG1 3.09Å; T267-T269 PolarHBondContact O-N 2.93Å; T267-T269 VanDerWaalsContact O-N 3.12Å; T267-T269 PolarHBondContact OG1-N 3.32Å; T267-T269 PolarHBondContact OG1-OG1 2.93Å; T269-L272 PolarHBondContact O-N 3.33Å; T269-A273 PolarHBondContact O-N 2.82Å; T269-A273 VanDerWaalsContact O-N 3.14Å
270G95.6Very high94.8Very high0 Ų034.8 Ų34.80%018%0.184CC..Hα-helixtrans-66.9-36.7176.900000112.6T267 A273 L274T267-G270 PolarHBondContact O-N 3Å; G270-A273 PolarHBondContact O-N 2.91Å; G270-L274 PolarHBondContact O-N 3.29Å; G270-L274 VanDerWaalsContact O-N 3.17Å
271I95.9Very high94.6Very high0 Ų034.1 Ų34.10%018%0.18CC..Hα-helixtrans-66.9-43.2175.2-63.4-51.9000111.8I266 T267 G268 A273 L274 V275 I289 L296 I304I266-I271 HydrophobicContact CB-CD1 4.29Å; I266-I271 HydrophobicContact CG2-CD1 3.68Å; I266-I271 HydrophobicContact CG2-CG1 3.92Å; T267-I271 PolarHBondContact O-N 2.58Å; T267-I271 VanDerWaalsContact O-N 3.16Å; G268-I271 PolarHBondContact O-N 3.05Å; I271-A273 VanDerWaalsContact C-N 3.3Å; I271-A273 PolarHBondContact O-N 3.01Å; I271-L274 HydrophobicContact CD1-CD1 4.2Å; I271-L274 WeakPolarHBondContact O-CB 3.49Å; I271-L274 PolarHBondContact O-N 3.09Å; I271-V275 HydrophobicContact CG2-CG2 4.28Å; I271-V275 WeakPolarHBondContact O-CG2 3.44Å; I271-V275 PolarHBondContact O-N 2.93Å; I271-I289 HydrophobicContact CD1-CB 3.82Å; I271-I289 HydrophobicContact CD1-CD1 4.09Å; I271-I289 HydrophobicContact CD1-CG2 3.91Å; I271-I289 HydrophobicContact CG1-CD1 4.38Å; I271-I289 HydrophobicContact CG2-CD1 3.46Å; I271-I289 VanDerWaalsContact CG2-CD1 3.46Å; I271-L296 HydrophobicContact CB-CD1 4.33Å; I271-L296 HydrophobicContact CB-CD2 4.33Å; I271-L296 HydrophobicContact CG1-CD1 4.12Å; I271-L296 HydrophobicContact CG1-CD2 3.68Å; I271-L296 HydrophobicContact CG2-CD1 3.97Å; I271-I304 HydrophobicContact CG2-CD1 3.75Å; I271-I304 HydrophobicContact CG2-CG1 4.42Å
272L95.4Very high94.4Very high54 Ų5438.1 Ų38.128%0.28320%0.202SC..Hα-helixtrans-59.7-42.8176.7-76.2176.7000111.5G268 T269 L274 V275 E276 V300 E303G268-L272 WeakPolarHBondContact O-CB 3.33Å; G268-L272 VanDerWaalsContact O-CG 3.25Å; G268-L272 WeakPolarHBondContact O-CG 3.32Å; G268-L272 PolarHBondContact O-N 3.46Å; T269-L272 PolarHBondContact O-N 3.33Å; L272-L274 VanDerWaalsContact C-N 3.34Å; L272-L274 PolarHBondContact O-N 3.04Å; L272-V275 PolarHBondContact O-N 2.91Å; L272-E276 WeakPolarHBondContact O-CB 3.43Å; L272-E276 PolarHBondContact O-N 3.48Å; L272-V300 HydrophobicContact CD1-CG1 4.46Å; L272-V300 HydrophobicContact CD1-CG2 4.13Å; L272-V300 HydrophobicContact CD2-CG1 3.95Å; L272-V300 HydrophobicContact CG-CG1 3.91Å; L272-V300 HydrophobicContact CG-CG2 4.46Å; L272-E303 HydrophobicContact CD2-CB 3.73Å; L272-E303 HydrophobicContact CD2-CG 3.64Å
273A96.5Very high94.4Very high23 Ų2337.2 Ų37.219%0.1920%0.2CC..Hα-helixtrans-58.2-45.1175.200000112I244 A247 T269 G270 I271 V275 E276 A277I244-A273 HydrophobicContact CG1-CB 4.15Å; A247-A273 HydrophobicContact CB-CB 4.04Å; A247-A273 VanDerWaalsContact CB-O 3.32Å; A247-A273 WeakPolarHBondContact CB-O 3.45Å; T269-A273 PolarHBondContact O-N 2.82Å; T269-A273 VanDerWaalsContact O-N 3.14Å; G270-A273 PolarHBondContact O-N 2.91Å; I271-A273 VanDerWaalsContact C-N 3.3Å; I271-A273 PolarHBondContact O-N 3.01Å; A273-V275 PolarHBondContact O-N 3.11Å; A273-E276 PolarHBondContact O-N 3.07Å; A273-A277 PolarHBondContact O-N 3.04Å
274L95.6Very high94.4Very high0 Ų035.1 Ų35.10%019%0.185CC..Hα-helixtrans-60.1-47176.2-75166.9000111.7A243 F246 A247 L250 L259 I261 G270 I271 L272 E276 A277 L278A243-L274 HydrophobicContact CB-CD1 4Å; A243-L274 HydrophobicContact CB-CG 4.31Å; A243-L274 WeakPolarHBondContact O-CD2 3.43Å; F246-L274 HydrophobicContact CB-CD2 3.82Å; A247-L274 HydrophobicContact CB-CD2 4.22Å; L250-L274 HydrophobicContact CD1-CD2 4.03Å; L259-L274 HydrophobicContact CD2-CD2 4.46Å; I261-L274 HydrophobicContact CD1-CD1 3.9Å; I261-L274 HydrophobicContact CD1-CD2 4.32Å; G270-L274 PolarHBondContact O-N 3.29Å; G270-L274 VanDerWaalsContact O-N 3.17Å; I271-L274 HydrophobicContact CD1-CD1 4.2Å; I271-L274 WeakPolarHBondContact O-CB 3.49Å; I271-L274 PolarHBondContact O-N 3.09Å; L272-L274 VanDerWaalsContact C-N 3.34Å; L272-L274 PolarHBondContact O-N 3.04Å; L274-E276 VanDerWaalsContact C-N 3.34Å; L274-A277 WeakPolarHBondContact O-CB 3.14Å; L274-A277 PolarHBondContact O-N 3.02Å; L274-L278 WeakPolarHBondContact O-CG 3.22Å; L274-L278 PolarHBondContact O-N 2.94Å
275V93.3Very high94.4Very high2 Ų237.4 Ų37.41%0.01220%0.199CC..Hα-helixtrans-70.1-32.2-177.9174.90000112I271 L272 A273 L278 I304 M307 F317I271-V275 HydrophobicContact CG2-CG2 4.28Å; I271-V275 WeakPolarHBondContact O-CG2 3.44Å; I271-V275 PolarHBondContact O-N 2.93Å; L272-V275 PolarHBondContact O-N 2.91Å; A273-V275 PolarHBondContact O-N 3.11Å; V275-L278 HydrophobicContact CG2-CD1 4.47Å; V275-L278 WeakPolarHBondContact O-CB 3.36Å; V275-L278 PolarHBondContact O-N 3.1Å; V275-I304 HydrophobicContact CG2-CG1 4.2Å; V275-M307 HydrophobicContact CG1-CB 3.43Å; V275-M307 VanDerWaalsContact CG1-CB 3.43Å; V275-M307 HydrophobicContact CG1-CG 3.87Å; V275-F317 HydrophobicContact CG2-CE2 4.28Å; V275-F317 HydrophobicContact CG2-CZ 4.41Å
276E94.1Very high94.5Very high108 Ų10835.1 Ų35.151%0.50519%0.19SC..Hα-helixtrans-64-42.7171.8-171.1173.2-169.200112.1L272 A273 L274 L278 K279 M307L272-E276 WeakPolarHBondContact O-CB 3.43Å; L272-E276 PolarHBondContact O-N 3.48Å; A273-E276 PolarHBondContact O-N 3.07Å; L274-E276 VanDerWaalsContact C-N 3.34Å; E276-L278 PolarHBondContact O-N 3.24Å; E276-K279 WeakPolarHBondContact O-CB 3.09Å; E276-K279 PolarHBondContact O-N 2.86Å; E276-K279 VanDerWaalsContact O-N 3.08Å; E276-M307 VanDerWaalsContact CA-CE 3.41Å; E276-M307 HydrophobicContact CB-CE 3.77Å; E276-M307 HydrophobicContact CG-CE 3.92Å
277A94.8Very high94.6Very high0 Ų035.1 Ų35.10%019%0.189CC..Hα-helixtrans-61.5-27.3173.400000113.3A247 L250 K251 A273 L274 K279 E280 N281A247-A277 HydrophobicContact CB-CB 4.03Å; A247-A277 WeakPolarHBondContact O-CB 3.4Å; L250-A277 HydrophobicContact CB-CB 3.96Å; K251-A277 HydrophobicContact CG-CB 3.87Å; A273-A277 PolarHBondContact O-N 3.04Å; L274-A277 WeakPolarHBondContact O-CB 3.14Å; L274-A277 PolarHBondContact O-N 3.02Å; A277-K279 PolarHBondContact O-N 3.27Å; A277-E280 PolarHBondContact O-N 3.36Å; A277-N281 PolarHBondContact O-N 2.86Å; A277-N281 VanDerWaalsContact O-N 3.09Å
278L93Very high94.7Very high2 Ų236.4 Ų36.41%0.0119%0.192CC..Hα-helixtrans-65.5-20.5175.8-59-180000113.1L250 L274 V275 E276 E280 N281 L284 I287 L308 N311 I314L250-L278 HydrophobicContact CD1-CD2 4.14Å; L274-L278 WeakPolarHBondContact O-CG 3.22Å; L274-L278 PolarHBondContact O-N 2.94Å; V275-L278 HydrophobicContact CG2-CD1 4.47Å; V275-L278 WeakPolarHBondContact O-CB 3.36Å; V275-L278 PolarHBondContact O-N 3.1Å; E276-L278 PolarHBondContact O-N 3.24Å; L278-E280 VanDerWaalsContact C-N 3.28Å; L278-E280 PolarHBondContact O-N 3.17Å; L278-N281 VanDerWaalsContact O-O 3.1Å; L278-L284 HydrophobicContact CD2-CB 4.46Å; L278-L284 HydrophobicContact CD2-CD2 3.48Å; L278-L284 VanDerWaalsContact CD2-CD2 3.48Å; L278-I287 HydrophobicContact CD1-CD1 4.16Å; L278-I287 HydrophobicContact CD1-CG2 4.19Å; L278-I287 HydrophobicContact CD2-CD1 4.46Å; L278-L308 HydrophobicContact CD1-CD2 4.43Å; L278-N311 PolarHBondContact O-ND2 3.16Å; L278-I314 HydrophobicContact CD1-CD1 4.14Å; L278-I314 HydrophobicContact CD1-CG1 4.22Å; L278-I314 HydrophobicContact CD2-CD1 4.18Å
279K90.4Very high94.7Very high91 Ų9135.8 Ų35.840%0.39619%0.185SC..Hα-helixtrans-64.7-36.6175-71-170.3164.2-178.20112.5E276 A277 M307 E310E276-K279 WeakPolarHBondContact O-CB 3.09Å; E276-K279 PolarHBondContact O-N 2.86Å; E276-K279 VanDerWaalsContact O-N 3.08Å; A277-K279 PolarHBondContact O-N 3.27Å; K279-M307 HydrophobicContact CD-CE 3.56Å; K279-M307 HydrophobicContact CD-SD 4.08Å; K279-M307 WeakPolarHBondContact CE-SD 3.29Å; K279-M307 HydrophobicContact CG-CE 4.01Å; K279-M307 PolarHBondContact NZ-SD 3.12Å; K279-E310 WeakPolarHBondContact CE-OE2 3.41Å; K279-E310 IonicContact NZ-OE1 2.65Å; K279-E310 IonicContact NZ-OE2 3.83Å; K279-E310 PolarHBondContact NZ-OE2 3.34Å
280E90.1Very high94.7Very high110 Ų11034 Ų3451%0.51417%0.172SC..Hα-helixtrans-91.6-18.8-178.5-62.3175.3-147.700112.2K251 K254 A277 L278K251-E280 IonicContact NZ-OE1 2.68Å; K254-E280 PolarHBondContact NZ-O 2.63Å; A277-E280 PolarHBondContact O-N 3.36Å; L278-E280 VanDerWaalsContact C-N 3.28Å; L278-E280 PolarHBondContact O-N 3.17Å
281N93.3Very high94.7Very high3 Ų339.2 Ų39.22%0.01620%0.2CC..  trans-89124177.9-168.8-67.9000112.1L250 N253 A277 L278 T283 L284L250-N281 WeakPolarHBondContact O-CB 3.36Å; L250-N281 PolarHBondContact O-ND2 3.33Å; N253-N281 PolarHBondContact O-ND2 2.66Å; A277-N281 PolarHBondContact O-N 2.86Å; A277-N281 VanDerWaalsContact O-N 3.09Å; L278-N281 VanDerWaalsContact O-O 3.1Å; N281-T283 PolarHBondContact ND2-OG1 3.3Å; N281-T283 PolarHBondContact OD1-N 3.21Å; N281-T283 PolarHBondContact OD1-OG1 3.04Å; N281-L284 WeakPolarHBondContact OD1-CB 3.22Å; N281-L284 PolarHBondContact OD1-N 3.45Å
282D91.2Very high94.6Very high85 Ų8540.1 Ų40.146%0.45521%0.205SC..SBendtrans-110.74.7-178.559.4-33.6000114.2K254 R313K254-D282 WeakPolarHBondContact CD-OD1 3.46Å; K254-D282 IonicContact NZ-OD1 3.58Å; K254-D282 PolarHBondContact NZ-OD1 2.69Å; D282-R313 HydrophobicContact CB-CG 4.36Å
283T94.9Very high94.4Very high31 Ų3146.3 Ų46.319%0.1922%0.224CC..SBendtrans-112.5-31-171.8660000113.3K254 L256 N281 T285K254-T283 HydrophobicContact CB-CG2 3.93Å; K254-T283 HydrophobicContact CD-CG2 4.02Å; K254-T283 WeakPolarHBondContact O-CG2 3.37Å; L256-T283 CarbonylContact O-C 3.44Å; L256-T283 PolarHBondContact O-OG1 3.33Å; N281-T283 PolarHBondContact ND2-OG1 3.3Å; N281-T283 PolarHBondContact OD1-N 3.21Å; N281-T283 PolarHBondContact OD1-OG1 3.04Å; T283-T285 PolarHBondContact O-N 3.42Å
284L96.5Very high94.1Very high0 Ų051 Ų510%024%0.242CC..  trans-69.8130.2177.1-160.376.8000109.9L250 L256 L259 L278 N281 I287 I314L250-L284 HydrophobicContact CD1-CD2 4.41Å; L250-L284 HydrophobicContact CD2-CD1 4.22Å; L250-L284 HydrophobicContact CD2-CD2 4.03Å; L256-L284 HydrophobicContact CB-CD1 4.44Å; L256-L284 HydrophobicContact CD2-CD1 4.11Å; L256-L284 HydrophobicContact CG-CD1 4.04Å; L256-L284 PolarHBondContact O-N 2.7Å; L259-L284 HydrophobicContact CB-CD1 4.04Å; L259-L284 HydrophobicContact CB-CD2 4.37Å; L278-L284 HydrophobicContact CD2-CB 4.46Å; L278-L284 HydrophobicContact CD2-CD2 3.48Å; L278-L284 VanDerWaalsContact CD2-CD2 3.48Å; N281-L284 WeakPolarHBondContact OD1-CB 3.22Å; N281-L284 PolarHBondContact OD1-N 3.45Å; L284-I287 HydrophobicContact CD2-CB 3.98Å; L284-I287 HydrophobicContact CD2-CD1 4.37Å; L284-I287 HydrophobicContact CD2-CG1 4.41Å; L284-I314 HydrophobicContact CB-CD1 4.25Å; L284-I314 HydrophobicContact CD2-CD1 4.19Å; L284-I314 HydrophobicContact CG-CD1 4.29Å; L284-I314 WeakPolarHBondContact O-CD1 3.34Å
285T96.5Very high93.8Very high51 Ų5159 Ų5931%0.31328%0.279SS..  trans-118.1-24.9-179.258.90000112.6T257 T283 L315 K316T257-T285 PolarHBondContact O-N 3.14Å; T257-T285 PolarHBondContact O-OG1 2.98Å; T283-T285 PolarHBondContact O-N 3.42Å; T285-L315 HydrophobicContact CG2-CD1 4.39Å; T285-L315 PolarHBondContact O-N 2.86Å; T285-K316 PolarHBondContact O-N 3.39Å
286E97.2Very high93.7Very high33 Ų3359.6 Ų59.615%0.15428%0.282CS..EExtended strand (participates in β ladder)trans-130.1123.6179-180168.9165.400110.3T257 S258 L259 K288 K316T257-E286 PolarHBondContact O-N 3.26Å; S258-E286 VanDerWaalsContact CA-O 3.32Å; S258-E286 WeakPolarHBondContact CA-O 3.44Å; L259-E286 PolarHBondContact N-O 3.03Å; E286-K288 WeakPolarHBondContact OE1-CE 3.27Å; E286-K288 IonicContact OE1-NZ 2.66Å; E286-K288 PolarHBondContact OE1-NZ 3.39Å; E286-K316 WeakPolarHBondContact CA-O 3.17Å; E286-K316 HydrophobicContact CB-CB 4.18Å; E286-K316 HydrophobicContact CG-CB 3.93Å; E286-K316 HydrophobicContact CG-CD 4.26Å; E286-K316 WeakPolarHBondContact OE2-CD 3.29Å; E286-K316 IonicContact OE2-NZ 2.71Å; E286-K316 PolarHBondContact OE2-NZ 3.2Å
287I97.1Very high93.6Very high0 Ų056 Ų560%028%0.275CS..EExtended strand (participates in β ladder)trans-129.1133.7170.4-168.5174.5000109.5L259 L278 L284 I289 I314 K316 F317 G318L259-I287 WeakPolarHBondContact O-CA 3.32Å; L278-I287 HydrophobicContact CD1-CD1 4.16Å; L278-I287 HydrophobicContact CD1-CG2 4.19Å; L278-I287 HydrophobicContact CD2-CD1 4.46Å; L284-I287 HydrophobicContact CD2-CB 3.98Å; L284-I287 HydrophobicContact CD2-CD1 4.37Å; L284-I287 HydrophobicContact CD2-CG1 4.41Å; I287-I289 HydrophobicContact CD1-CG2 4.21Å; I287-I289 HydrophobicContact CG1-CG2 4.05Å; I287-I314 HydrophobicContact CG2-CD1 4.38Å; I287-K316 PolarHBondContact N-O 2.86Å; I287-F317 HydrophobicContact CG2-CD2 3.31Å; I287-F317 HydrophobicContact CG2-CE2 3.64Å; I287-F317 HydrophobicContact CG2-CG 4.35Å; I287-F317 CarbonylContact O-C 3.6Å; I287-F317 WeakPolarHBondContact O-CA 3.46Å; I287-G318 PolarHBondContact O-N 3.02Å
288K97.2Very high93.4Very high65 Ų6559.3 Ų59.328%0.28330%0.295SS..EExtended strand (participates in β ladder)trans-125.7119.4-178.6-79.7173.4166.4155.40109.8L259 N260 I261 E262 E286L259-K288 PolarHBondContact O-N 2.86Å; N260-K288 HydrophobicContact CB-CB 4.13Å; N260-K288 HydrophobicContact CB-CD 4.33Å; N260-K288 WeakPolarHBondContact OD1-CB 3.37Å; I261-K288 PolarHBondContact N-O 3.39Å; E262-K288 HydrophobicContact CG-CB 3.9Å; E262-K288 WeakPolarHBondContact OE1-CB 3.3Å; E262-K288 WeakPolarHBondContact OE1-CD 3.3Å; E262-K288 WeakPolarHBondContact OE1-CG 3.48Å; E286-K288 WeakPolarHBondContact OE1-CE 3.27Å; E286-K288 IonicContact OE1-NZ 2.66Å; E286-K288 PolarHBondContact OE1-NZ 3.39Å
289I95.9Very high93.4Very high1 Ų163.1 Ų63.11%0.00533%0.326CS..  trans-132.811.1-173.761.5164.3000112.4I271 I287 Q292 L296 F317 G318 Y319I271-I289 HydrophobicContact CD1-CB 3.82Å; I271-I289 HydrophobicContact CD1-CD1 4.09Å; I271-I289 HydrophobicContact CD1-CG2 3.91Å; I271-I289 HydrophobicContact CG1-CD1 4.38Å; I271-I289 HydrophobicContact CG2-CD1 3.46Å; I271-I289 VanDerWaalsContact CG2-CD1 3.46Å; I287-I289 HydrophobicContact CD1-CG2 4.21Å; I287-I289 HydrophobicContact CG1-CG2 4.05Å; I289-Q292 VanDerWaalsContact O-CG 3.32Å; I289-Q292 WeakPolarHBondContact O-CG 3.25Å; I289-Q292 PolarHBondContact O-NE2 3.27Å; I289-L296 HydrophobicContact CD1-CD1 4.4Å; I289-F317 HydrophobicContact CD1-CE1 4.05Å; I289-F317 HydrophobicContact CD1-CE2 4.32Å; I289-F317 HydrophobicContact CD1-CZ 3.51Å; I289-F317 HydrophobicContact CG1-CE1 4.44Å; I289-F317 HydrophobicContact CG1-CZ 4.13Å; I289-G318 PolarHBondContact N-O 3.37Å; I289-Y319 HydrophobicContact CD1-CD2 4.29Å; I289-Y319 HydrophobicContact CD1-CG 4.29Å; I289-Y319 HydrophobicContact CG1-CD2 4.18Å; I289-Y319 HydrophobicContact CG1-CG 4.29Å
290D94.9Very high93.6Very high55 Ų5559.7 Ų59.729%0.29431%0.313SS..  trans-71.1168.1-172.7-153.610.3000113.7E262 S263 Q292 G318 Q320E262-D290 VanDerWaalsContact CA-O 3.29Å; E262-D290 WeakPolarHBondContact CA-O 3.4Å; E262-D290 HydrophobicContact CG-CB 4.27Å; S263-D290 PolarHBondContact N-O 2.89Å; D290-Q292 VanDerWaalsContact C-N 3.3Å; D290-Q292 PolarHBondContact O-N 3.21Å; D290-G318 PolarHBondContact N-O 3.02Å; D290-G318 VanDerWaalsContact N-O 3.17Å; D290-Q320 PolarHBondContact OD1-N 3.43Å
291N95Very high93.8Very high110 Ų11054.5 Ų54.559%0.58829%0.289SS*.SBendtrans56.937.4174.4-16726.1000114S263S263-N291 VanDerWaalsContact CA-O 3.25Å; S263-N291 WeakPolarHBondContact CA-O 3.48Å; S263-N291 PolarHBondContact OG-ND2 2.99Å
292Q94.9Very high93.9Very high19 Ų1958.1 Ų58.19%0.08931%0.307CS..  trans-67.1155.4170.4-57.1-54.8-40.300110.8I261 N264 I289 D290 Q294I261-Q292 PolarHBondContact O-NE2 2.79Å; N264-Q292 WeakPolarHBondContact O-CA 3.3Å; N264-Q292 PolarHBondContact O-OE1 3.15Å; N264-Q292 VanDerWaalsContact O-OE1 3.1Å; I289-Q292 VanDerWaalsContact O-CG 3.32Å; I289-Q292 WeakPolarHBondContact O-CG 3.25Å; I289-Q292 PolarHBondContact O-NE2 3.27Å; D290-Q292 VanDerWaalsContact C-N 3.3Å; D290-Q292 PolarHBondContact O-N 3.21Å; Q292-Q294 PolarHBondContact O-N 3.44Å; Q292-Q294 VanDerWaalsContact O-N 3.12Å
293R91Very high94Very high184 Ų18457.7 Ų57.769%0.69430%0.302SS*.SBendtrans-54.8-33179.2-179.9170.7-176.9-1665.1113.7N264 F265N264-R293 PolarHBondContact O-N 3.48Å; F265-R293 HydrophobicContact CD1-CB 4.18Å; F265-R293 HydrophobicContact CD1-CG 4.31Å; F265-R293 HydrophobicContact CE1-CG 4.47Å; F265-R293 HydrophobicContact CG-CB 4.41Å
294Q89.7Confident94Very high122 Ų12256.2 Ų56.257%0.5729%0.293SS*.SBendtrans-119.8147.4179.7-65.8-177.2-1.700110.1Q292Q292-Q294 PolarHBondContact O-N 3.44Å; Q292-Q294 VanDerWaalsContact O-N 3.12Å
295Q89.8Confident94Very high167 Ų16756.2 Ų56.278%0.7829%0.293SS*.  trans-67.3136.3169.2-66.5-175.9-3600109.5G297Q295-G297 VanDerWaalsContact C-N 3.26Å; Q295-G297 PolarHBondContact O-N 2.9Å
296L90.4Very high93.8Very high14 Ų1457.8 Ų57.87%0.07330%0.297CS..  trans-67.6-27.7-176.8-55.8-177.6000112.7I271 I289 V300 I304 Y319I271-L296 HydrophobicContact CB-CD1 4.33Å; I271-L296 HydrophobicContact CB-CD2 4.33Å; I271-L296 HydrophobicContact CG1-CD1 4.12Å; I271-L296 HydrophobicContact CG1-CD2 3.68Å; I271-L296 HydrophobicContact CG2-CD1 3.97Å; I289-L296 HydrophobicContact CD1-CD1 4.4Å; L296-V300 HydrophobicContact CB-CB 4.16Å; L296-V300 HydrophobicContact CB-CG1 3.91Å; L296-V300 HydrophobicContact CD1-CG1 4.42Å; L296-V300 WeakPolarHBondContact O-CB 3.44Å; L296-V300 VanDerWaalsContact O-CG2 3.28Å; L296-V300 WeakPolarHBondContact O-CG2 3.48Å; L296-I304 HydrophobicContact CD1-CD1 3.93Å; L296-Y319 HydrophobicContact CD1-CD2 4.16Å; L296-Y319 HydrophobicContact CD1-CE1 4.22Å; L296-Y319 HydrophobicContact CD1-CE2 3.51Å; L296-Y319 HydrophobicContact CG-CE2 3.97Å
297G91.2Very high93.6Very high33 Ų3356.9 Ų56.934%0.3429%0.293SS..  trans87.9156-179.800000113.6Q295 A299 V300 E301Q295-G297 VanDerWaalsContact C-N 3.26Å; Q295-G297 PolarHBondContact O-N 2.9Å; G297-A299 VanDerWaalsContact C-N 3.35Å; G297-A299 PolarHBondContact O-N 3.24Å; G297-V300 PolarHBondContact O-N 2.94Å; G297-E301 PolarHBondContact O-N 3.05Å; G297-E301 VanDerWaalsContact O-N 3.07Å
298T92Very high93.4Very high69 Ų6957 Ų5742%0.42329%0.293SS..Hα-helixtrans-59.1-39.4-171.5-51.30000113.9E301 M302 K323T298-E301 PolarHBondContact O-N 2.95Å; T298-M302 HydrophobicContact CG2-CG 4.49Å; T298-M302 WeakPolarHBondContact O-CG 3.27Å; T298-M302 PolarHBondContact O-N 2.97Å; T298-K323 HydrophobicContact CG2-CG 3.88Å; T298-K323 VanDerWaalsContact OG1-CE 3.32Å; T298-K323 WeakPolarHBondContact OG1-CE 3.3Å
299A92.2Very high93.2Very high82 Ų8257.5 Ų57.568%0.67830%0.297SS*.Hα-helixtrans-64.1-43.4-178.800000111.5G297 M302 E303G297-A299 VanDerWaalsContact C-N 3.35Å; G297-A299 PolarHBondContact O-N 3.24Å; A299-M302 PolarHBondContact O-N 3.27Å; A299-E303 PolarHBondContact O-N 3.11Å; A299-E303 VanDerWaalsContact O-N 3.12Å
300V94.3Very high93Very high20 Ų2062.9 Ų62.912%0.12132%0.322CS..Hα-helixtrans-65.5-43.2176.7176.70000110.6L272 L296 G297 M302 E303 I304L272-V300 HydrophobicContact CD1-CG1 4.46Å; L272-V300 HydrophobicContact CD1-CG2 4.13Å; L272-V300 HydrophobicContact CD2-CG1 3.95Å; L272-V300 HydrophobicContact CG-CG1 3.91Å; L272-V300 HydrophobicContact CG-CG2 4.46Å; L296-V300 HydrophobicContact CB-CB 4.16Å; L296-V300 HydrophobicContact CB-CG1 3.91Å; L296-V300 HydrophobicContact CD1-CG1 4.42Å; L296-V300 WeakPolarHBondContact O-CB 3.44Å; L296-V300 VanDerWaalsContact O-CG2 3.28Å; L296-V300 WeakPolarHBondContact O-CG2 3.48Å; G297-V300 PolarHBondContact O-N 2.94Å; V300-M302 VanDerWaalsContact C-N 3.31Å; V300-M302 PolarHBondContact O-N 2.79Å; V300-E303 PolarHBondContact O-N 3.42Å; V300-I304 HydrophobicContact CG1-CD1 3.86Å; V300-I304 HydrophobicContact CG1-CG1 4.31Å; V300-I304 VanDerWaalsContact O-CG1 3.23Å; V300-I304 WeakPolarHBondContact O-CG1 3.42Å; V300-I304 PolarHBondContact O-N 3.23Å
301E95.2Very high92.8Very high0 Ų060.8 Ų60.80%031%0.311CS..Hα-helixtrans-59.3-40.4176.5-71.8-171.4-169.900113.1G297 T298 I304 A305 Y319 F321 T322 K323 P326G297-E301 PolarHBondContact O-N 3.05Å; G297-E301 VanDerWaalsContact O-N 3.07Å; T298-E301 PolarHBondContact O-N 2.95Å; E301-I304 PolarHBondContact O-N 3.04Å; E301-A305 PolarHBondContact O-N 3.43Å; E301-Y319 HydrophobicContact CG-CE1 3.93Å; E301-Y319 PolarHBondContact OE1-OH 3.25Å; E301-F321 HydrophobicContact CB-CD1 4.04Å; E301-F321 HydrophobicContact CB-CE1 4.42Å; E301-F321 HydrophobicContact CG-CD1 4.04Å; E301-T322 VanDerWaalsContact CD-OG1 3.23Å; E301-T322 VanDerWaalsContact OE1-CB 3.3Å; E301-T322 WeakPolarHBondContact OE1-CB 3.4Å; E301-T322 WeakPolarHBondContact OE1-CG2 3.39Å; E301-T322 PolarHBondContact OE1-N 3.37Å; E301-T322 PolarHBondContact OE1-OG1 3.14Å; E301-T322 PolarHBondContact OE2-N 3.4Å; E301-T322 VanDerWaalsContact OE2-N 3.16Å; E301-T322 PolarHBondContact OE2-OG1 2.92Å; E301-K323 PolarHBondContact OE2-N 3.3Å; E301-K323 VanDerWaalsContact OE2-N 3.09Å; E301-P326 HydrophobicContact CB-CB 4.08Å; E301-P326 HydrophobicContact CB-CG 3.93Å
302M94.5Very high92.6Very high79 Ų7958.4 Ų58.439%0.38930%0.302SS..Hα-helixtrans-65.2-42.3177.2-75.2-67.4-61.300111.8T298 A299 V300 A305 Q306 P326T298-M302 HydrophobicContact CG2-CG 4.49Å; T298-M302 WeakPolarHBondContact O-CG 3.27Å; T298-M302 PolarHBondContact O-N 2.97Å; A299-M302 PolarHBondContact O-N 3.27Å; V300-M302 VanDerWaalsContact C-N 3.31Å; V300-M302 PolarHBondContact O-N 2.79Å; M302-A305 WeakPolarHBondContact O-CB 3.27Å; M302-A305 PolarHBondContact O-N 2.91Å; M302-Q306 PolarHBondContact O-N 2.92Å; M302-Q306 VanDerWaalsContact O-N 3.09Å; M302-P326 HydrophobicContact CG-CG 4.06Å; M302-P326 HydrophobicContact SD-CG 3.56Å; M302-P326 VanDerWaalsContact SD-CG 3.56Å
303E94Very high92.5Very high76 Ų7662.7 Ų62.736%0.35532%0.318SS..Hα-helixtrans-63-48.5176.1-165.963-15200110.2L272 A299 V300 A305 Q306 M307L272-E303 HydrophobicContact CD2-CB 3.73Å; L272-E303 HydrophobicContact CD2-CG 3.64Å; A299-E303 PolarHBondContact O-N 3.11Å; A299-E303 VanDerWaalsContact O-N 3.12Å; V300-E303 PolarHBondContact O-N 3.42Å; E303-A305 PolarHBondContact O-N 3.21Å; E303-Q306 WeakPolarHBondContact O-CB 3.36Å; E303-Q306 PolarHBondContact O-N 3.23Å; E303-M307 HydrophobicContact CG-CG 4.28Å; E303-M307 WeakPolarHBondContact O-CG 3.49Å; E303-M307 PolarHBondContact O-N 3.13Å
304I94.9Very high92.7Very high0 Ų054 Ų540%029%0.285CS..Hα-helixtrans-51.9-44.4175.6-68169.1000111I271 V275 L296 V300 E301 M307 L308 F317 F321I271-I304 HydrophobicContact CG2-CD1 3.75Å; I271-I304 HydrophobicContact CG2-CG1 4.42Å; V275-I304 HydrophobicContact CG2-CG1 4.2Å; L296-I304 HydrophobicContact CD1-CD1 3.93Å; V300-I304 HydrophobicContact CG1-CD1 3.86Å; V300-I304 HydrophobicContact CG1-CG1 4.31Å; V300-I304 VanDerWaalsContact O-CG1 3.23Å; V300-I304 WeakPolarHBondContact O-CG1 3.42Å; V300-I304 PolarHBondContact O-N 3.23Å; E301-I304 PolarHBondContact O-N 3.04Å; I304-M307 PolarHBondContact O-N 3.28Å; I304-L308 HydrophobicContact CG2-CD1 3.7Å; I304-L308 HydrophobicContact CG2-CG 4.32Å; I304-L308 WeakPolarHBondContact O-CB 2.9Å; I304-L308 VanDerWaalsContact O-CG 3.29Å; I304-L308 WeakPolarHBondContact O-CG 3.32Å; I304-L308 PolarHBondContact O-N 3.48Å; I304-F317 HydrophobicContact CG2-CE1 3.73Å; I304-F317 HydrophobicContact CG2-CE2 4.27Å; I304-F317 HydrophobicContact CG2-CZ 3.47Å; I304-F317 VanDerWaalsContact CG2-CZ 3.47Å; I304-F321 HydrophobicContact CB-CE1 4.41Å; I304-F321 HydrophobicContact CG2-CE1 4.02Å; I304-F321 HydrophobicContact CG2-CZ 3.89Å
305A95.2Very high93Very high0 Ų049.7 Ų49.70%027%0.266CS..Hα-helixtrans-62.5-44.2178.600000112.8E301 M302 E303 L308 E309 P326 R329 V330E301-A305 PolarHBondContact O-N 3.43Å; M302-A305 WeakPolarHBondContact O-CB 3.27Å; M302-A305 PolarHBondContact O-N 2.91Å; E303-A305 PolarHBondContact O-N 3.21Å; A305-L308 PolarHBondContact O-N 3.47Å; A305-E309 WeakPolarHBondContact O-CG 3.44Å; A305-E309 PolarHBondContact O-N 3.3Å; A305-E309 VanDerWaalsContact O-N 3.11Å; A305-P326 HydrophobicContact CB-CB 4.12Å; A305-R329 HydrophobicContact CB-CB 4.16Å; A305-V330 HydrophobicContact CB-CG2 3.72Å
306Q93.9Very high93.4Very high85 Ų8547.7 Ų47.740%0.39726%0.255SS..Hα-helixtrans-62.6-45.2177.1179.9173.1-14.300111.9M302 E303 L308 E309 E310M302-Q306 PolarHBondContact O-N 2.92Å; M302-Q306 VanDerWaalsContact O-N 3.09Å; E303-Q306 WeakPolarHBondContact O-CB 3.36Å; E303-Q306 PolarHBondContact O-N 3.23Å; Q306-L308 VanDerWaalsContact C-N 3.35Å; Q306-L308 PolarHBondContact O-N 2.87Å; Q306-E309 PolarHBondContact O-N 3.06Å; Q306-E310 PolarHBondContact O-N 2.96Å
307M92.3Very high93.6Very high13 Ų1348.2 Ų48.26%0.06426%0.257CS..Hα-helixtrans-66.6-37.6-178.5-52.9-73-80.600111.6V275 E276 K279 E303 I304 E309 E310 N311V275-M307 HydrophobicContact CG1-CB 3.43Å; V275-M307 VanDerWaalsContact CG1-CB 3.43Å; V275-M307 HydrophobicContact CG1-CG 3.87Å; E276-M307 VanDerWaalsContact CA-CE 3.41Å; E276-M307 HydrophobicContact CB-CE 3.77Å; E276-M307 HydrophobicContact CG-CE 3.92Å; K279-M307 HydrophobicContact CD-CE 3.56Å; K279-M307 HydrophobicContact CD-SD 4.08Å; K279-M307 WeakPolarHBondContact CE-SD 3.29Å; K279-M307 HydrophobicContact CG-CE 4.01Å; K279-M307 PolarHBondContact NZ-SD 3.12Å; E303-M307 HydrophobicContact CG-CG 4.28Å; E303-M307 WeakPolarHBondContact O-CG 3.49Å; E303-M307 PolarHBondContact O-N 3.13Å; I304-M307 PolarHBondContact O-N 3.28Å; M307-E309 VanDerWaalsContact C-N 3.35Å; M307-E310 PolarHBondContact O-N 3.07Å; M307-N311 PolarHBondContact O-N 3.19Å
308L93.1Very high93.8Very high3 Ų347.6 Ų47.62%0.01625%0.25CS..Hα-helixtrans-72.6-24.4177.1-71.9174.5000113.5L278 I304 A305 Q306 E310 N311 I314 F317 V330L278-L308 HydrophobicContact CD1-CD2 4.43Å; I304-L308 HydrophobicContact CG2-CD1 3.7Å; I304-L308 HydrophobicContact CG2-CG 4.32Å; I304-L308 WeakPolarHBondContact O-CB 2.9Å; I304-L308 VanDerWaalsContact O-CG 3.29Å; I304-L308 WeakPolarHBondContact O-CG 3.32Å; I304-L308 PolarHBondContact O-N 3.48Å; A305-L308 PolarHBondContact O-N 3.47Å; Q306-L308 VanDerWaalsContact C-N 3.35Å; Q306-L308 PolarHBondContact O-N 2.87Å; L308-E310 VanDerWaalsContact C-N 3.33Å; L308-N311 PolarHBondContact O-N 3.27Å; L308-N311 VanDerWaalsContact O-O 3.06Å; L308-I314 HydrophobicContact CD2-CB 4.38Å; L308-I314 HydrophobicContact CD2-CG1 4.37Å; L308-I314 HydrophobicContact CD2-CG2 4.31Å; L308-F317 HydrophobicContact CD1-CB 4.29Å; L308-F317 HydrophobicContact CD1-CD1 3.91Å; L308-F317 HydrophobicContact CD1-CD2 3.59Å; L308-F317 HydrophobicContact CD1-CE1 4.07Å; L308-F317 HydrophobicContact CD1-CE2 3.8Å; L308-F317 HydrophobicContact CD1-CG 3.66Å; L308-F317 HydrophobicContact CD1-CZ 4.03Å; L308-F317 HydrophobicContact CD2-CD2 3.92Å; L308-F317 HydrophobicContact CD2-CE2 4.23Å; L308-F317 HydrophobicContact CG-CD2 4.37Å; L308-F317 HydrophobicContact CG-CE2 4.47Å; L308-V330 HydrophobicContact CB-CG2 4.48Å; L308-V330 HydrophobicContact CD1-CB 4.45Å; L308-V330 HydrophobicContact CD1-CG1 3.72Å; L308-V330 HydrophobicContact CD1-CG2 3.85Å
309E92.8Very high94Very high76 Ų7645.7 Ų45.736%0.35524%0.235SC..Hα-helixtrans-69.4-32.8172.2-79175.7179.700112.6A305 Q306 M307 R329 A333A305-E309 WeakPolarHBondContact O-CG 3.44Å; A305-E309 PolarHBondContact O-N 3.3Å; A305-E309 VanDerWaalsContact O-N 3.11Å; Q306-E309 PolarHBondContact O-N 3.06Å; M307-E309 VanDerWaalsContact C-N 3.35Å; E309-R329 VanDerWaalsContact CD-NH2 3.27Å; E309-R329 WeakPolarHBondContact OE1-CB 3.29Å; E309-R329 WeakPolarHBondContact OE1-CG 3.47Å; E309-R329 IonicContact OE1-CZ 2.69Å; E309-R329 IonicContact OE1-NE 3.08Å; E309-R329 PolarHBondContact OE1-NE 2.94Å; E309-R329 IonicContact OE1-NH2 2.73Å; E309-R329 PolarHBondContact OE1-NH2 3.35Å; E309-R329 IonicContact OE2-CZ 3.67Å; E309-R329 IonicContact OE2-NE 3.29Å; E309-R329 IonicContact OE2-NH2 3.38Å; E309-R329 PolarHBondContact OE2-NH2 3.12Å; E309-A333 HydrophobicContact CG-CB 4.2Å
310E91.1Very high94.1Very high113 Ų11347.3 Ų47.353%0.52823%0.229SC..Hα-helixtrans-76.4-28.6175.6-66.6174.8-163.800111.8K279 Q306 M307 L308K279-E310 WeakPolarHBondContact CE-OE2 3.41Å; K279-E310 IonicContact NZ-OE1 2.65Å; K279-E310 IonicContact NZ-OE2 3.83Å; K279-E310 PolarHBondContact NZ-OE2 3.34Å; Q306-E310 PolarHBondContact O-N 2.96Å; M307-E310 PolarHBondContact O-N 3.07Å; L308-E310 VanDerWaalsContact C-N 3.33Å
311N91.3Very high94.1Very high11 Ų1146.8 Ų46.86%0.05923%0.225CC..  trans-83.3128.5178.2-174.7-63.6000112.2L278 M307 L308 R313 I314 N337L278-N311 PolarHBondContact O-ND2 3.16Å; M307-N311 PolarHBondContact O-N 3.19Å; L308-N311 PolarHBondContact O-N 3.27Å; L308-N311 VanDerWaalsContact O-O 3.06Å; N311-R313 WeakPolarHBondContact OD1-CA 3.36Å; N311-R313 PolarHBondContact OD1-N 3.02Å; N311-I314 PolarHBondContact OD1-N 3.28Å; N311-N337 PolarHBondContact O-ND2 2.95Å
312S91.2Very high94Very high60 Ų6049.9 Ų49.942%0.4224%0.244SC..SBendtrans-105.15.1-179.959.10000115.4N337S312-N337 VanDerWaalsContact C-CG 3.5Å; S312-N337 WeakPolarHBondContact CA-ND2 3.39Å; S312-N337 VanDerWaalsContact CA-OD1 3.32Å; S312-N337 WeakPolarHBondContact CA-OD1 3.41Å
313R93Very high93.9Very high109 Ų10951 Ų5141%0.41125%0.247SC..SBendtrans-109.8-31.7-170.4-59.3-57-177.3157.95.6113.8D282 N311 L315D282-R313 HydrophobicContact CB-CG 4.36Å; N311-R313 WeakPolarHBondContact OD1-CA 3.36Å; N311-R313 PolarHBondContact OD1-N 3.02Å; R313-L315 PolarHBondContact O-N 3.45Å
314I95.8Very high93.9Very high1 Ų154.6 Ų54.61%0.00526%0.264CS..  trans-67.8123.7176.2-61.3-70000109.3L278 L284 I287 L308 N311 F317 I334 N337L278-I314 HydrophobicContact CD1-CD1 4.14Å; L278-I314 HydrophobicContact CD1-CG1 4.22Å; L278-I314 HydrophobicContact CD2-CD1 4.18Å; L284-I314 HydrophobicContact CB-CD1 4.25Å; L284-I314 HydrophobicContact CD2-CD1 4.19Å; L284-I314 HydrophobicContact CG-CD1 4.29Å; L284-I314 WeakPolarHBondContact O-CD1 3.34Å; I287-I314 HydrophobicContact CG2-CD1 4.38Å; L308-I314 HydrophobicContact CD2-CB 4.38Å; L308-I314 HydrophobicContact CD2-CG1 4.37Å; L308-I314 HydrophobicContact CD2-CG2 4.31Å; N311-I314 PolarHBondContact OD1-N 3.28Å; I314-F317 HydrophobicContact CG2-CB 4.37Å; I314-I334 HydrophobicContact CB-CD1 4.48Å; I314-I334 HydrophobicContact CG2-CD1 3.77Å; I314-N337 WeakPolarHBondContact O-CB 3.35Å; I314-N337 PolarHBondContact O-ND2 3.44Å
315L95.8Very high93.9Very high33 Ų3356.4 Ų56.417%0.17328%0.282CS..  trans-107-22.9180-56.6-178000112.2T285 R313 I334 N337 N338 V341T285-L315 HydrophobicContact CG2-CD1 4.39Å; T285-L315 PolarHBondContact O-N 2.86Å; R313-L315 PolarHBondContact O-N 3.45Å; L315-I334 WeakPolarHBondContact O-CG2 3.32Å; L315-N337 HydrophobicContact CD2-CB 3.95Å; L315-N338 PolarHBondContact O-ND2 3.34Å; L315-N338 VanDerWaalsContact O-ND2 3.13Å; L315-V341 HydrophobicContact CD1-CG2 4.18Å; L315-V341 HydrophobicContact CD2-CG2 3.81Å
316K96.5Very high93.9Very high124 Ų12456.5 Ų56.554%0.53928%0.283SS..EExtended strand (participates in β ladder)trans-140.7120.6179-65.1178.9-172.1171.90109.7T285 E286 I287T285-K316 PolarHBondContact O-N 3.39Å; E286-K316 WeakPolarHBondContact CA-O 3.17Å; E286-K316 HydrophobicContact CB-CB 4.18Å; E286-K316 HydrophobicContact CG-CB 3.93Å; E286-K316 HydrophobicContact CG-CD 4.26Å; E286-K316 WeakPolarHBondContact OE2-CD 3.29Å; E286-K316 IonicContact OE2-NZ 2.71Å; E286-K316 PolarHBondContact OE2-NZ 3.2Å; I287-K316 PolarHBondContact N-O 2.86Å
317F96.3Very high94Very high26 Ų2657.4 Ų57.411%0.11428%0.282CS..EExtended strand (participates in β ladder)trans-117.7106174.1-168.5-96.4000108.7V275 I287 I289 I304 L308 I314 Y319 F321 V330 I334V275-F317 HydrophobicContact CG2-CE2 4.28Å; V275-F317 HydrophobicContact CG2-CZ 4.41Å; I287-F317 HydrophobicContact CG2-CD2 3.31Å; I287-F317 HydrophobicContact CG2-CE2 3.64Å; I287-F317 HydrophobicContact CG2-CG 4.35Å; I287-F317 CarbonylContact O-C 3.6Å; I287-F317 WeakPolarHBondContact O-CA 3.46Å; I289-F317 HydrophobicContact CD1-CE1 4.05Å; I289-F317 HydrophobicContact CD1-CE2 4.32Å; I289-F317 HydrophobicContact CD1-CZ 3.51Å; I289-F317 HydrophobicContact CG1-CE1 4.44Å; I289-F317 HydrophobicContact CG1-CZ 4.13Å; I304-F317 HydrophobicContact CG2-CE1 3.73Å; I304-F317 HydrophobicContact CG2-CE2 4.27Å; I304-F317 HydrophobicContact CG2-CZ 3.47Å; I304-F317 VanDerWaalsContact CG2-CZ 3.47Å; L308-F317 HydrophobicContact CD1-CB 4.29Å; L308-F317 HydrophobicContact CD1-CD1 3.91Å; L308-F317 HydrophobicContact CD1-CD2 3.59Å; L308-F317 HydrophobicContact CD1-CE1 4.07Å; L308-F317 HydrophobicContact CD1-CE2 3.8Å; L308-F317 HydrophobicContact CD1-CG 3.66Å; L308-F317 HydrophobicContact CD1-CZ 4.03Å; L308-F317 HydrophobicContact CD2-CD2 3.92Å; L308-F317 HydrophobicContact CD2-CE2 4.23Å; L308-F317 HydrophobicContact CG-CD2 4.37Å; L308-F317 HydrophobicContact CG-CE2 4.47Å; I314-F317 HydrophobicContact CG2-CB 4.37Å; F317-Y319 VanDerWaalsContact CE1-CB 3.43Å; F317-Y319 HydrophobicContact CE1-CD1 4.26Å; F317-Y319 HydrophobicContact CE1-CG 4.16Å; F317-Y319 PolarHBondContact O-N 3.49Å; F317-F321 AromaticContact CD1-CE2 3.98Å; F317-F321 HydrophobicContact CD1-CE2 3.98Å; F317-F321 AromaticContact CD1-CZ 3.98Å; F317-F321 HydrophobicContact CD1-CZ 3.98Å; F317-F321 HydrophobicContact CE1-CE2 4.1Å; F317-F321 AromaticContact CE1-CZ 3.71Å; F317-F321 HydrophobicContact CE1-CZ 3.71Å; F317-V330 HydrophobicContact CD1-CG1 4.46Å; F317-I334 HydrophobicContact CB-CD1 4.12Å
318G95.2Very high94.2Very high20 Ų2060.5 Ų60.521%0.20630%0.302CS..EExtended strand (participates in β ladder)trans-85.190-179.300000110.9I287 I289 D290I287-G318 PolarHBondContact O-N 3.02Å; I289-G318 PolarHBondContact N-O 3.37Å; D290-G318 PolarHBondContact N-O 3.02Å; D290-G318 VanDerWaalsContact N-O 3.17Å
319Y95.8Very high94.4Very high28 Ų2864.1 Ų64.111%0.1132%0.315CS..  trans-159.5133.2173.2179.1-112.6000110.5I289 L296 E301 F317 F321I289-Y319 HydrophobicContact CD1-CD2 4.29Å; I289-Y319 HydrophobicContact CD1-CG 4.29Å; I289-Y319 HydrophobicContact CG1-CD2 4.18Å; I289-Y319 HydrophobicContact CG1-CG 4.29Å; L296-Y319 HydrophobicContact CD1-CD2 4.16Å; L296-Y319 HydrophobicContact CD1-CE1 4.22Å; L296-Y319 HydrophobicContact CD1-CE2 3.51Å; L296-Y319 HydrophobicContact CG-CE2 3.97Å; E301-Y319 HydrophobicContact CG-CE1 3.93Å; E301-Y319 PolarHBondContact OE1-OH 3.25Å; F317-Y319 VanDerWaalsContact CE1-CB 3.43Å; F317-Y319 HydrophobicContact CE1-CD1 4.26Å; F317-Y319 HydrophobicContact CE1-CG 4.16Å; F317-Y319 PolarHBondContact O-N 3.49Å; Y319-F321 AromaticContact CD1-CD1 3.77Å; Y319-F321 HydrophobicContact CD1-CD1 3.77Å; Y319-F321 AromaticContact CD1-CD2 3.87Å; Y319-F321 HydrophobicContact CD1-CD2 3.87Å; Y319-F321 AromaticContact CD1-CE1 3.76Å; Y319-F321 HydrophobicContact CD1-CE1 3.76Å; Y319-F321 AromaticContact CD1-CE2 3.84Å; Y319-F321 HydrophobicContact CD1-CE2 3.84Å; Y319-F321 AromaticContact CD1-CG 3.82Å; Y319-F321 HydrophobicContact CD1-CG 3.82Å; Y319-F321 AromaticContact CD1-CZ 3.77Å; Y319-F321 HydrophobicContact CD1-CZ 3.77Å; Y319-F321 HydrophobicContact CE1-CB 4.4Å; Y319-F321 AromaticContact CE1-CD1 3.73Å; Y319-F321 HydrophobicContact CE1-CD1 3.73Å; Y319-F321 HydrophobicContact CE1-CD2 4.49Å; Y319-F321 HydrophobicContact CE1-CE1 4.01Å; Y319-F321 AromaticContact CE1-CG 3.98Å; Y319-F321 HydrophobicContact CE1-CG 3.98Å; Y319-F321 HydrophobicContact CE1-CZ 4.48Å; Y319-F321 PolarHBondContact O-N 3.09Å
320Q94.1Very high94.5Very high117 Ų11760.8 Ų60.855%0.54730%0.301SS..  trans-88.697174.1-175.568-7.800110.9D290 T322D290-Q320 PolarHBondContact OD1-N 3.43Å; Q320-T322 PolarHBondContact O-N 3.14Å
321F93.9Very high94.7Very high8 Ų857.9 Ų57.94%0.03530%0.296CS..  trans-60.8132175.5-68.5-88000111.7E301 I304 F317 Y319 P326 R327 V330E301-F321 HydrophobicContact CB-CD1 4.04Å; E301-F321 HydrophobicContact CB-CE1 4.42Å; E301-F321 HydrophobicContact CG-CD1 4.04Å; I304-F321 HydrophobicContact CB-CE1 4.41Å; I304-F321 HydrophobicContact CG2-CE1 4.02Å; I304-F321 HydrophobicContact CG2-CZ 3.89Å; F317-F321 AromaticContact CD1-CE2 3.98Å; F317-F321 HydrophobicContact CD1-CE2 3.98Å; F317-F321 AromaticContact CD1-CZ 3.98Å; F317-F321 HydrophobicContact CD1-CZ 3.98Å; F317-F321 HydrophobicContact CE1-CE2 4.1Å; F317-F321 AromaticContact CE1-CZ 3.71Å; F317-F321 HydrophobicContact CE1-CZ 3.71Å; Y319-F321 AromaticContact CD1-CD1 3.77Å; Y319-F321 HydrophobicContact CD1-CD1 3.77Å; Y319-F321 AromaticContact CD1-CD2 3.87Å; Y319-F321 HydrophobicContact CD1-CD2 3.87Å; Y319-F321 AromaticContact CD1-CE1 3.76Å; Y319-F321 HydrophobicContact CD1-CE1 3.76Å; Y319-F321 AromaticContact CD1-CE2 3.84Å; Y319-F321 HydrophobicContact CD1-CE2 3.84Å; Y319-F321 AromaticContact CD1-CG 3.82Å; Y319-F321 HydrophobicContact CD1-CG 3.82Å; Y319-F321 AromaticContact CD1-CZ 3.77Å; Y319-F321 HydrophobicContact CD1-CZ 3.77Å; Y319-F321 HydrophobicContact CE1-CB 4.4Å; Y319-F321 AromaticContact CE1-CD1 3.73Å; Y319-F321 HydrophobicContact CE1-CD1 3.73Å; Y319-F321 HydrophobicContact CE1-CD2 4.49Å; Y319-F321 HydrophobicContact CE1-CE1 4.01Å; Y319-F321 AromaticContact CE1-CG 3.98Å; Y319-F321 HydrophobicContact CE1-CG 3.98Å; Y319-F321 HydrophobicContact CE1-CZ 4.48Å; Y319-F321 PolarHBondContact O-N 3.09Å; F321-P326 HydrophobicContact CD1-CB 3.59Å; F321-P326 HydrophobicContact CE1-CB 4.05Å; F321-P326 HydrophobicContact CG-CB 4.35Å; F321-R327 HydrophobicContact CB-CB 3.79Å; F321-R327 HydrophobicContact CB-CG 4.19Å; F321-R327 HydrophobicContact CG-CB 4.32Å; F321-R327 PolarHBondContact O-NE 3.22Å; F321-R327 PolarHBondContact O-NH2 3.17Å; F321-V330 HydrophobicContact CE1-CG2 4.14Å; F321-V330 HydrophobicContact CE2-CB 3.94Å; F321-V330 HydrophobicContact CE2-CG1 3.83Å; F321-V330 HydrophobicContact CE2-CG2 4.03Å; F321-V330 HydrophobicContact CZ-CB 4.02Å; F321-V330 HydrophobicContact CZ-CG1 4.06Å; F321-V330 HydrophobicContact CZ-CG2 3.57Å
322T92.9Very high95Very high65 Ų6560.4 Ų60.440%0.39932%0.318SS..SBendtrans-75.6-36.717762.90000111.8E301 Q320E301-T322 VanDerWaalsContact CD-OG1 3.23Å; E301-T322 VanDerWaalsContact OE1-CB 3.3Å; E301-T322 WeakPolarHBondContact OE1-CB 3.4Å; E301-T322 WeakPolarHBondContact OE1-CG2 3.39Å; E301-T322 PolarHBondContact OE1-N 3.37Å; E301-T322 PolarHBondContact OE1-OG1 3.14Å; E301-T322 PolarHBondContact OE2-N 3.4Å; E301-T322 VanDerWaalsContact OE2-N 3.16Å; E301-T322 PolarHBondContact OE2-OG1 2.92Å; Q320-T322 PolarHBondContact O-N 3.14Å
323K93.6Very high95.2Very high103 Ų10357.9 Ų57.945%0.44830%0.301SS..SBendtrans-96.1142.9-178.7-60.1-56.7-178.5-179.10112.4T298 E301 G325 P326 R327T298-K323 HydrophobicContact CG2-CG 3.88Å; T298-K323 VanDerWaalsContact OG1-CE 3.32Å; T298-K323 WeakPolarHBondContact OG1-CE 3.3Å; E301-K323 PolarHBondContact OE2-N 3.3Å; E301-K323 VanDerWaalsContact OE2-N 3.09Å; K323-G325 PolarHBondContact O-N 3.06Å; K323-P326 HydrophobicContact CB-CG 4.14Å; K323-R327 WeakPolarHBondContact O-CB 3.33Å; K323-R327 PolarHBondContact O-N 3.49Å
324Q93.7Very high95.4Very high152 Ų15254 Ų5471%0.7129%0.288SS*.Hα-helixtrans-65.7-37.3-179.8-170.917611.300112.7R327 T328Q324-R327 WeakPolarHBondContact O-CB 3.49Å; Q324-R327 PolarHBondContact O-N 3.32Å; Q324-T328 HydrophobicContact CG-CG2 4.11Å; Q324-T328 WeakPolarHBondContact O-CG2 3.41Å; Q324-T328 PolarHBondContact O-N 2.9Å; Q324-T328 PolarHBondContact O-OG1 3.01Å
325G95Very high95.4Very high37 Ų3758.5 Ų58.538%0.38132%0.316SS..Hα-helixtrans-58.3-60.3-178.700000113.9K323 R327 T328 R329K323-G325 PolarHBondContact O-N 3.06Å; G325-R327 VanDerWaalsContact C-N 3.26Å; G325-R327 PolarHBondContact O-N 3.21Å; G325-T328 PolarHBondContact O-N 3.03Å; G325-T328 PolarHBondContact O-OG1 3.01Å; G325-R329 WeakPolarHBondContact O-CG 3.32Å; G325-R329 PolarHBondContact O-N 3.39Å
326P95.5Very high95.4Very high3 Ų363 Ų632%0.01933%0.334CS..Hα-helixtrans-54.1-41.8172.2-27.634.2000113.1E301 M302 A305 F321 K323 T328 R329 V330E301-P326 HydrophobicContact CB-CB 4.08Å; E301-P326 HydrophobicContact CB-CG 3.93Å; M302-P326 HydrophobicContact CG-CG 4.06Å; M302-P326 HydrophobicContact SD-CG 3.56Å; M302-P326 VanDerWaalsContact SD-CG 3.56Å; A305-P326 HydrophobicContact CB-CB 4.12Å; F321-P326 HydrophobicContact CD1-CB 3.59Å; F321-P326 HydrophobicContact CE1-CB 4.05Å; F321-P326 HydrophobicContact CG-CB 4.35Å; K323-P326 HydrophobicContact CB-CG 4.14Å; P326-T328 PolarHBondContact O-N 3.09Å; P326-R329 PolarHBondContact O-N 2.86Å; P326-V330 WeakPolarHBondContact O-CB 3.31Å; P326-V330 WeakPolarHBondContact O-CG2 3.38Å; P326-V330 PolarHBondContact O-N 3.2Å
327R95.9Very high95.3Very high104 Ų10457.2 Ų57.239%0.39231%0.309SS..Hα-helixtrans-59.7-47.9-178.1-167.2-173.2-63.8175.1-0.1112.4F321 K323 Q324 G325 A331F321-R327 HydrophobicContact CB-CB 3.79Å; F321-R327 HydrophobicContact CB-CG 4.19Å; F321-R327 HydrophobicContact CG-CB 4.32Å; F321-R327 PolarHBondContact O-NE 3.22Å; F321-R327 PolarHBondContact O-NH2 3.17Å; K323-R327 WeakPolarHBondContact O-CB 3.33Å; K323-R327 PolarHBondContact O-N 3.49Å; Q324-R327 WeakPolarHBondContact O-CB 3.49Å; Q324-R327 PolarHBondContact O-N 3.32Å; G325-R327 VanDerWaalsContact C-N 3.26Å; G325-R327 PolarHBondContact O-N 3.21Å; R327-A331 VanDerWaalsContact O-CB 3.3Å; R327-A331 WeakPolarHBondContact O-CB 3.31Å; R327-A331 PolarHBondContact O-N 2.99Å
328T96.1Very high95.3Very high78 Ų7859 Ų5948%0.47932%0.32SS..Hα-helixtrans-69.4-39.8-17953.50000111.6Q324 G325 P326 A331 A332Q324-T328 HydrophobicContact CG-CG2 4.11Å; Q324-T328 WeakPolarHBondContact O-CG2 3.41Å; Q324-T328 PolarHBondContact O-N 2.9Å; Q324-T328 PolarHBondContact O-OG1 3.01Å; G325-T328 PolarHBondContact O-N 3.03Å; G325-T328 PolarHBondContact O-OG1 3.01Å; P326-T328 PolarHBondContact O-N 3.09Å; T328-A331 PolarHBondContact O-N 3.33Å; T328-A332 WeakPolarHBondContact O-CB 3.06Å; T328-A332 PolarHBondContact O-N 2.82Å
329R96.1Very high95.4Very high78 Ų7860.4 Ų60.429%0.29432%0.322SS..Hα-helixtrans-59.2-50.3175.4-73.7-179.973.5-174.52.7112.1A305 E309 G325 P326 A332 A333A305-R329 HydrophobicContact CB-CB 4.16Å; E309-R329 VanDerWaalsContact CD-NH2 3.27Å; E309-R329 WeakPolarHBondContact OE1-CB 3.29Å; E309-R329 WeakPolarHBondContact OE1-CG 3.47Å; E309-R329 IonicContact OE1-CZ 2.69Å; E309-R329 IonicContact OE1-NE 3.08Å; E309-R329 PolarHBondContact OE1-NE 2.94Å; E309-R329 IonicContact OE1-NH2 2.73Å; E309-R329 PolarHBondContact OE1-NH2 3.35Å; E309-R329 IonicContact OE2-CZ 3.67Å; E309-R329 IonicContact OE2-NE 3.29Å; E309-R329 IonicContact OE2-NH2 3.38Å; E309-R329 PolarHBondContact OE2-NH2 3.12Å; G325-R329 WeakPolarHBondContact O-CG 3.32Å; G325-R329 PolarHBondContact O-N 3.39Å; P326-R329 PolarHBondContact O-N 2.86Å; R329-A332 PolarHBondContact O-N 3.27Å; R329-A333 PolarHBondContact O-N 3.05Å
330V95.9Very high95.3Very high7 Ų762.1 Ų62.14%0.04233%0.333CS..Hα-helixtrans-65.6-42.5178.4173.50000111.6A305 L308 F317 F321 P326 A332 A333 I334A305-V330 HydrophobicContact CB-CG2 3.72Å; L308-V330 HydrophobicContact CB-CG2 4.48Å; L308-V330 HydrophobicContact CD1-CB 4.45Å; L308-V330 HydrophobicContact CD1-CG1 3.72Å; L308-V330 HydrophobicContact CD1-CG2 3.85Å; F317-V330 HydrophobicContact CD1-CG1 4.46Å; F321-V330 HydrophobicContact CE1-CG2 4.14Å; F321-V330 HydrophobicContact CE2-CB 3.94Å; F321-V330 HydrophobicContact CE2-CG1 3.83Å; F321-V330 HydrophobicContact CE2-CG2 4.03Å; F321-V330 HydrophobicContact CZ-CB 4.02Å; F321-V330 HydrophobicContact CZ-CG1 4.06Å; F321-V330 HydrophobicContact CZ-CG2 3.57Å; P326-V330 WeakPolarHBondContact O-CB 3.31Å; P326-V330 WeakPolarHBondContact O-CG2 3.38Å; P326-V330 PolarHBondContact O-N 3.2Å; V330-A332 VanDerWaalsContact C-N 3.28Å; V330-A332 PolarHBondContact O-N 3.43Å; V330-A333 PolarHBondContact O-N 2.92Å; V330-I334 HydrophobicContact CG1-CG1 4.07Å; V330-I334 WeakPolarHBondContact O-CB 3.33Å; V330-I334 VanDerWaalsContact O-CG1 3.26Å; V330-I334 WeakPolarHBondContact O-CG1 3.21Å; V330-I334 PolarHBondContact O-N 2.95Å
331A96.1Very high95.3Very high52 Ų5259 Ų5943%0.4332%0.322SS..Hα-helixtrans-58.6-41.2175.600000112R327 T328 T335R327-A331 VanDerWaalsContact O-CB 3.3Å; R327-A331 WeakPolarHBondContact O-CB 3.31Å; R327-A331 PolarHBondContact O-N 2.99Å; T328-A331 PolarHBondContact O-N 3.33Å; A331-T335 WeakPolarHBondContact O-CB 3Å; A331-T335 PolarHBondContact O-N 3.46Å; A331-T335 PolarHBondContact O-OG1 3.34Å
332A96.5Very high95.3Very high63 Ų6364.5 Ų64.552%0.52134%0.342SS..Hα-helixtrans-65.2-44.6175.500000112.2T328 R329 V330 T335 K336T328-A332 WeakPolarHBondContact O-CB 3.06Å; T328-A332 PolarHBondContact O-N 2.82Å; R329-A332 PolarHBondContact O-N 3.27Å; V330-A332 VanDerWaalsContact C-N 3.28Å; V330-A332 PolarHBondContact O-N 3.43Å; A332-T335 PolarHBondContact O-N 3.12Å; A332-K336 WeakPolarHBondContact O-CB 2.98Å; A332-K336 PolarHBondContact O-N 3.19Å
333A95.8Very high95.4Very high8 Ų865.9 Ų65.97%0.06634%0.343CS..Hα-helixtrans-60.2-47.2176.600000112E309 R329 V330 T335 K336 N337E309-A333 HydrophobicContact CG-CB 4.2Å; R329-A333 PolarHBondContact O-N 3.05Å; V330-A333 PolarHBondContact O-N 2.92Å; A333-T335 VanDerWaalsContact C-N 3.34Å; A333-T335 PolarHBondContact O-N 3.45Å; A333-K336 WeakPolarHBondContact O-CB 3.33Å; A333-K336 PolarHBondContact O-N 3.13Å; A333-N337 VanDerWaalsContact O-CG 3.24Å; A333-N337 PolarHBondContact O-N 2.85Å; A333-N337 PolarHBondContact O-OD1 3.31Å
334I96.1Very high95.3Very high28 Ų2866.6 Ų66.614%0.14435%0.346CS..Hα-helixtrans-63.4-40.4177.1-66-65.7000111.6I314 L315 F317 V330 N337 N338I314-I334 HydrophobicContact CB-CD1 4.48Å; I314-I334 HydrophobicContact CG2-CD1 3.77Å; L315-I334 WeakPolarHBondContact O-CG2 3.32Å; F317-I334 HydrophobicContact CB-CD1 4.12Å; V330-I334 HydrophobicContact CG1-CG1 4.07Å; V330-I334 WeakPolarHBondContact O-CB 3.33Å; V330-I334 VanDerWaalsContact O-CG1 3.26Å; V330-I334 WeakPolarHBondContact O-CG1 3.21Å; V330-I334 PolarHBondContact O-N 2.95Å; I334-N337 PolarHBondContact O-N 3.08Å; I334-N338 PolarHBondContact O-N 2.97Å; I334-N338 PolarHBondContact O-ND2 2.91Å
335T96.4Very high95.2Very high94 Ų9466.4 Ų66.458%0.57734%0.338SS*.Hα-helixtrans-63.5-44.7176.8-58.80000110.9A331 A332 A333 N337 N338 D339A331-T335 WeakPolarHBondContact O-CB 3Å; A331-T335 PolarHBondContact O-N 3.46Å; A331-T335 PolarHBondContact O-OG1 3.34Å; A332-T335 PolarHBondContact O-N 3.12Å; A333-T335 VanDerWaalsContact C-N 3.34Å; A333-T335 PolarHBondContact O-N 3.45Å; T335-N337 VanDerWaalsContact C-N 3.35Å; T335-N337 PolarHBondContact O-N 3.4Å; T335-N338 PolarHBondContact O-N 3.27Å; T335-D339 PolarHBondContact O-N 2.97Å
336K96.2Very high95.1Very high128 Ų12867.1 Ų67.156%0.55734%0.336SS*.Hα-helixtrans-57.4-46.5174.4176.6-172173.1-169.30111.3A332 A333 D339 L340A332-K336 WeakPolarHBondContact O-CB 2.98Å; A332-K336 PolarHBondContact O-N 3.19Å; A333-K336 WeakPolarHBondContact O-CB 3.33Å; A333-K336 PolarHBondContact O-N 3.13Å; K336-D339 PolarHBondContact O-N 3.04Å; K336-L340 WeakPolarHBondContact O-CG 3.49Å; K336-L340 PolarHBondContact O-N 3.49Å
337N95.3Very high94.9Very high3 Ų372.6 Ų72.62%0.01636%0.361CS..Hα-helixtrans-65.3-42.1-179.3-66.4-5.5000112.1N311 S312 I314 L315 A333 I334 T335 D339 L340 V341N311-N337 PolarHBondContact O-ND2 2.95Å; S312-N337 VanDerWaalsContact C-CG 3.5Å; S312-N337 WeakPolarHBondContact CA-ND2 3.39Å; S312-N337 VanDerWaalsContact CA-OD1 3.32Å; S312-N337 WeakPolarHBondContact CA-OD1 3.41Å; I314-N337 WeakPolarHBondContact O-CB 3.35Å; I314-N337 PolarHBondContact O-ND2 3.44Å; L315-N337 HydrophobicContact CD2-CB 3.95Å; A333-N337 VanDerWaalsContact O-CG 3.24Å; A333-N337 PolarHBondContact O-N 2.85Å; A333-N337 PolarHBondContact O-OD1 3.31Å; I334-N337 PolarHBondContact O-N 3.08Å; T335-N337 VanDerWaalsContact C-N 3.35Å; T335-N337 PolarHBondContact O-N 3.4Å; N337-D339 VanDerWaalsContact C-N 3.34Å; N337-D339 PolarHBondContact O-N 3.34Å; N337-L340 WeakPolarHBondContact O-CB 3.42Å; N337-L340 PolarHBondContact O-N 2.9Å; N337-V341 PolarHBondContact O-N 3.48Å
338N96.2Very high94.3Very high64 Ų6470.4 Ų70.434%0.34237%0.365SS..Hα-helixtrans-62.9-39174.1-81.5-71.7000112.4L315 I334 T335 V341 R342L315-N338 PolarHBondContact O-ND2 3.34Å; L315-N338 VanDerWaalsContact O-ND2 3.13Å; I334-N338 PolarHBondContact O-N 2.97Å; I334-N338 PolarHBondContact O-ND2 2.91Å; T335-N338 PolarHBondContact O-N 3.27Å; N338-V341 PolarHBondContact O-N 3.08Å; N338-R342 PolarHBondContact O-N 2.91Å
339D95.9Very high93.5Very high48 Ų4873.1 Ų73.126%0.25738%0.377SS..Hα-helixtrans-65.6-36175.3-172.556.7000112.4T335 K336 N337 V341 R342 K343T335-D339 PolarHBondContact O-N 2.97Å; K336-D339 PolarHBondContact O-N 3.04Å; N337-D339 VanDerWaalsContact C-N 3.34Å; N337-D339 PolarHBondContact O-N 3.34Å; D339-V341 VanDerWaalsContact C-N 3.33Å; D339-V341 PolarHBondContact O-N 2.86Å; D339-R342 WeakPolarHBondContact O-CB 3.46Å; D339-R342 PolarHBondContact O-N 2.94Å; D339-R342 IonicContact OD1-CZ 2.74Å; D339-R342 VanDerWaalsContact OD1-CZ 3.24Å; D339-R342 IonicContact OD1-NE 3.78Å; D339-R342 PolarHBondContact OD1-NE 3.37Å; D339-R342 IonicContact OD1-NH2 2.73Å; D339-R342 PolarHBondContact OD1-NH2 3.3Å; D339-K343 WeakPolarHBondContact O-CG 3.46Å; D339-K343 PolarHBondContact O-N 3.42Å; D339-K343 WeakPolarHBondContact OD2-CE 3.28Å; D339-K343 IonicContact OD2-NZ 2.89Å; D339-K343 PolarHBondContact OD2-NZ 3.5Å
340L94.3Very high92.4Very high65 Ų6579.5 Ų79.534%0.3440%0.401SS..Hα-helixtrans-60.4-42.3172.5-69.4174.1000111.8K336 N337 R342 K343 K344K336-L340 WeakPolarHBondContact O-CG 3.49Å; K336-L340 PolarHBondContact O-N 3.49Å; N337-L340 WeakPolarHBondContact O-CB 3.42Å; N337-L340 PolarHBondContact O-N 2.9Å; L340-R342 VanDerWaalsContact C-N 3.32Å; L340-K343 PolarHBondContact O-N 3.08Å; L340-K344 WeakPolarHBondContact O-CG 3.24Å; L340-K344 PolarHBondContact O-N 3.49Å
341V93.7Very high90.5Very high50 Ų5092.3 Ų92.330%0.30345%0.448SS..Hα-helixtrans-67.1-34.9175.9-179.40000111.3L315 N337 N338 D339 R345L315-V341 HydrophobicContact CD1-CG2 4.18Å; L315-V341 HydrophobicContact CD2-CG2 3.81Å; N337-V341 PolarHBondContact O-N 3.48Å; N338-V341 PolarHBondContact O-N 3.08Å; D339-V341 VanDerWaalsContact C-N 3.33Å; D339-V341 PolarHBondContact O-N 2.86Å; V341-R345 WeakPolarHBondContact O-CG 3.32Å; V341-R345 PolarHBondContact O-N 2.92Å; V341-R345 PolarHBondContact O-NE 2.96Å
342R94.5Very high90.2Very high125 Ų12594.3 Ų94.347%0.47245%0.449SS..Hα-helixtrans-65.8-46.6174-172.5-167.566.180.61.1111.6N338 D339 L340 K344 R345 V346N338-R342 PolarHBondContact O-N 2.91Å; D339-R342 WeakPolarHBondContact O-CB 3.46Å; D339-R342 PolarHBondContact O-N 2.94Å; D339-R342 IonicContact OD1-CZ 2.74Å; D339-R342 VanDerWaalsContact OD1-CZ 3.24Å; D339-R342 IonicContact OD1-NE 3.78Å; D339-R342 PolarHBondContact OD1-NE 3.37Å; D339-R342 IonicContact OD1-NH2 2.73Å; D339-R342 PolarHBondContact OD1-NH2 3.3Å; L340-R342 VanDerWaalsContact C-N 3.32Å; R342-K344 PolarHBondContact O-N 3.48Å; R342-R345 WeakPolarHBondContact O-CB 3.26Å; R342-R345 PolarHBondContact O-N 2.93Å; R342-V346 WeakPolarHBondContact O-CG2 3.42Å; R342-V346 PolarHBondContact O-N 2.88Å; R342-V346 VanDerWaalsContact O-N 3.09Å
343K93.7Very high89.9Confident94 Ų9495.9 Ų95.941%0.40945%0.445SS..Hα-helixtrans-58.3-46.1177.4-76172.5174.6152.70111.8D339 L340 R345 V346 E347D339-K343 WeakPolarHBondContact O-CG 3.46Å; D339-K343 PolarHBondContact O-N 3.42Å; D339-K343 WeakPolarHBondContact OD2-CE 3.28Å; D339-K343 IonicContact OD2-NZ 2.89Å; D339-K343 PolarHBondContact OD2-NZ 3.5Å; L340-K343 PolarHBondContact O-N 3.08Å; K343-R345 VanDerWaalsContact C-N 3.29Å; K343-R345 PolarHBondContact O-N 2.84Å; K343-V346 PolarHBondContact O-N 3.45Å; K343-E347 WeakPolarHBondContact O-CG 3.24Å; K343-E347 PolarHBondContact O-N 2.92Å
344K91.9Very high89.5Confident117 Ų117100.8 Ų100.851%0.50947%0.466SS..Hα-helixtrans-58.8-38176.1-73.6179-179.2-177.70113.2L340 R342 A348L340-K344 WeakPolarHBondContact O-CG 3.24Å; L340-K344 PolarHBondContact O-N 3.49Å; R342-K344 PolarHBondContact O-N 3.48Å; K344-A348 WeakPolarHBondContact O-CB 3.45Å; K344-A348 PolarHBondContact O-N 3.09Å
345R92Very high89.2Confident148 Ų148105.1 Ų105.156%0.55849%0.485SS*.Hα-helixtrans-64.8-48.6175.1-76.9-179.8-93177.7-8.7111.5V341 R342 K343 E347 A348 D349V341-R345 WeakPolarHBondContact O-CG 3.32Å; V341-R345 PolarHBondContact O-N 2.92Å; V341-R345 PolarHBondContact O-NE 2.96Å; R342-R345 WeakPolarHBondContact O-CB 3.26Å; R342-R345 PolarHBondContact O-N 2.93Å; K343-R345 VanDerWaalsContact C-N 3.29Å; K343-R345 PolarHBondContact O-N 2.84Å; R345-E347 VanDerWaalsContact C-N 3.33Å; R345-E347 PolarHBondContact O-N 3.46Å; R345-A348 PolarHBondContact O-N 3.08Å; R345-A348 VanDerWaalsContact O-N 3.17Å; R345-D349 VanDerWaalsContact O-CG 3.24Å; R345-D349 PolarHBondContact O-N 3.01Å
346V92.7Very high88.7Confident53 Ų53105.8 Ų105.832%0.32148%0.479SS..Hα-helixtrans-63.1-37.7178.9176.50000112.3R342 K343 R350R342-V346 WeakPolarHBondContact O-CG2 3.42Å; R342-V346 PolarHBondContact O-N 2.88Å; R342-V346 VanDerWaalsContact O-N 3.09Å; K343-V346 PolarHBondContact O-N 3.45Å; V346-R350 VanDerWaalsContact O-CG 3.28Å; V346-R350 WeakPolarHBondContact O-CG 3.34Å; V346-R350 PolarHBondContact O-N 2.72Å
347E90.8Very high88.2Confident118 Ų118104.3 Ų104.355%0.55147%0.474SS*.Hα-helixtrans-69-35.3175.4-73.9173.2-171.300112.7K343 R345 R350K343-E347 WeakPolarHBondContact O-CG 3.24Å; K343-E347 PolarHBondContact O-N 2.92Å; R345-E347 VanDerWaalsContact C-N 3.33Å; R345-E347 PolarHBondContact O-N 3.46Å; E347-R350 PolarHBondContact O-N 3.46Å
348A83.8Confident87.7Confident57 Ų57111.6 Ų111.647%0.47151%0.507SS..Hα-helixtrans-68.4-40.717500000111.8K344 R345 R350 R351K344-A348 WeakPolarHBondContact O-CB 3.45Å; K344-A348 PolarHBondContact O-N 3.09Å; R345-A348 PolarHBondContact O-N 3.08Å; R345-A348 VanDerWaalsContact O-N 3.17Å; A348-R350 PolarHBondContact O-N 3.2Å; A348-R351 PolarHBondContact O-N 3.17Å
349D80.6Confident87.1Confident136 Ų136115.2 Ų115.273%0.72752%0.52SS*.Hα-helixtrans-69.5-16178.5-63.1-21000113.2R345R345-D349 VanDerWaalsContact O-CG 3.24Å; R345-D349 PolarHBondContact O-N 3.01Å
350R72.6Confident86.3Confident212 Ų212120.8 Ų120.880%0.854%0.542SS*.THydrogen-bonded Turntrans-91.3-8.5177-75.3175.8179-166.2-1113.7V346 E347 A348V346-R350 VanDerWaalsContact O-CG 3.28Å; V346-R350 WeakPolarHBondContact O-CG 3.34Å; V346-R350 PolarHBondContact O-N 2.72Å; E347-R350 PolarHBondContact O-N 3.46Å; A348-R350 PolarHBondContact O-N 3.2Å
351R55.3Low85.6Confident275 Ų275125.9 Ų125.9100%1.03856%0.56SS**  trans-102.50175.9-72.6-177.4178.3-177.20.7109.6A348A348-R351 PolarHBondContact O-N 3.17Å

Retrieved 351 of 351 residues in 215.4 ms (Link to these results)

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