A0A096N4G3_PAPAN Loading...

Proline rich and Gla domain 4

AlphaFold DB , UniProt , Accession A0A096N4G3, Species PAPAN (Papio anubis, Olive baboon), Gene PRRG4, Length 266 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
1M37.6Very low44.5Very low242 Ų242151.1 Ų151.1100%1.19283%0.832SS**  0152.50-107.9159.566.600107.9
2E48.8Very low44.4Very low181 Ų181154.6 Ų154.685%0.84683%0.833SS**  trans-42.5157.1-176.1-68.4168.8124.400114.3
3I39.9Very low44Very low142 Ų142154.9 Ų154.973%0.72883%0.834SS**  cis-143.513248.5-71.8162.1000113.3L5I3-L5 HydrophobicContact CG2-CB 3.96Å; I3-L5 HydrophobicContact CG2-CD1 3.93Å; I3-L5 HydrophobicContact CG2-CG 3.82Å
4V55.5Low44.2Very low144 Ų144156.9 Ų156.987%0.87384%0.843SS**  trans-86122.7153.5170.40000107.7
5L50.3Low44.4Very low132 Ų132149.5 Ų149.569%0.69182%0.819SS**  trans-149.2127.4162.1-94.5174.3000110.6I3I3-L5 HydrophobicContact CG2-CB 3.96Å; I3-L5 HydrophobicContact CG2-CD1 3.93Å; I3-L5 HydrophobicContact CG2-CG 3.82Å
6L41.5Very low44.7Very low147 Ų147149.9 Ų149.977%0.7782%0.819SS**  trans61.9102.5152.9-56.9170.9000115.4
7L43.8Very low45Very low167 Ų167148.5 Ų148.587%0.87481%0.809SS**  42124.853.7-85.7176.5000114.5
8E42.9Very low45.4Very low183 Ų183145.1 Ų145.186%0.85580%0.795SS**  trans83.778.3163.3-150.6143.5-154.500118.4
9T38.3Very low45.6Very low132 Ų132143.5 Ų143.581%0.8179%0.786SS**  trans-125.6129.5136.855.60000109.4
10P42.9Very low45.7Very low121 Ų121143.6 Ų143.679%0.78679%0.785SS**  trans-82.5134.1177.431.8-32.8000110.8
11G48.3Very low45.9Very low71 Ų71141.2 Ų141.273%0.73278%0.775SS**  trans67.587.2164.900000116.3
12K42.9Very low46.6Very low193 Ų193132.1 Ų132.184%0.83973%0.731SS**  trans-138.4148.5142.8-73.7-163.2173.256.60109.5
13D38.6Very low46.7Very low159 Ų159129.6 Ų129.685%0.8572%0.719SS**  trans-68.6141.8-156-59.6-83.2000114.9G15D13-G15 VanDerWaalsContact C-N 3.27Å; D13-G15 PolarHBondContact O-N 2.97Å
14L47.2Very low47Very low183 Ų183128.9 Ų128.996%0.95871%0.712SS**THydrogen-bonded Turntrans-80.770.5-180-165.276.7000110
15G47.6Very low46.5Very low46 Ų46128.2 Ų128.247%0.47469%0.694SS.*THydrogen-bonded Turntrans-128-54.7-176.800000115D13 I17D13-G15 VanDerWaalsContact C-N 3.27Å; D13-G15 PolarHBondContact O-N 2.97Å; G15-I17 PolarHBondContact O-N 3.42Å
16D48.7Very low46.6Very low155 Ų155127.8 Ų127.883%0.82968%0.683SS**SBendtrans-105.744.1-155.8-57.3-34.4000115.1
17I50.3Low47.2Very low126 Ų126124 Ų12465%0.64667%0.666SS**SBendtrans-104.6-27.3176.5-61.1-179.7000115.8G15 D19G15-I17 PolarHBondContact O-N 3.42Å; I17-D19 PolarHBondContact O-N 3.45Å
18P51.5Low47.7Very low87 Ų87119.9 Ų119.957%0.56565%0.645SS**Hα-helixtrans-70.2-34-173.327.4-32.7000113.9L20 D22P18-L20 PolarHBondContact O-N 3.13Å; P18-D22 PolarHBondContact O-N 3.47Å
19D49.4Very low48.4Very low116 Ų116113.9 Ų113.962%0.6262%0.621SS**Hα-helixtrans-73.6-30.4-169.3-67.6-16.9000114.1I17 D22 H23I17-D19 PolarHBondContact O-N 3.45Å; D19-D22 PolarHBondContact O-N 3.24Å; D19-H23 PolarHBondContact O-N 2.68Å; D19-H23 VanDerWaalsContact O-N 3.15Å
20L47.6Very low49.4Very low144 Ų144112 Ų11275%0.75461%0.605SS**Hα-helixtrans-74.2-34.3-178.5-167.466.2000112P18 H24P18-L20 PolarHBondContact O-N 3.13Å; L20-H24 PolarHBondContact O-N 3.15Å
21V50.8Low50Low95 Ų95110.9 Ų110.958%0.57659%0.592SS**Hα-helixtrans-70.9-40.8174.1-176.70000110.1H23 H24 W25V21-H23 PolarHBondContact O-N 3.27Å; V21-H24 PolarHBondContact O-N 3.48Å; V21-W25 PolarHBondContact O-N 3.47Å
22D52.5Low50.4Low50 Ų50116.2 Ų116.227%0.26759%0.591SS.*Hα-helixtrans-60.3-46.7179.6-160.552.7000112.1P18 D19 H24 W25 R26P18-D22 PolarHBondContact O-N 3.47Å; D19-D22 PolarHBondContact O-N 3.24Å; D22-H24 PolarHBondContact O-N 3.01Å; D22-W25 VanDerWaalsContact CA-CD1 3.46Å; D22-W25 PolarHBondContact O-NE1 3.04Å; D22-W25 PolarHBondContact OD1-NE1 2.76Å; D22-R26 WeakPolarHBondContact O-CB 3.37Å; D22-R26 VanDerWaalsContact O-CG 3.25Å; D22-R26 WeakPolarHBondContact O-CG 3.29Å; D22-R26 PolarHBondContact O-N 2.97Å; D22-R26 VanDerWaalsContact O-N 3.08Å; D22-R26 IonicContact OD1-CZ 3.62Å; D22-R26 IonicContact OD1-NE 3.36Å; D22-R26 PolarHBondContact OD1-NE 3.49Å; D22-R26 IonicContact OD1-NH2 3.47Å; D22-R26 IonicContact OD2-CZ 2.74Å; D22-R26 IonicContact OD2-NE 3.5Å; D22-R26 PolarHBondContact OD2-NE 3.25Å; D22-R26 IonicContact OD2-NH2 3.91Å; D22-R26 PolarHBondContact OD2-NH2 3.46Å
23H49.4Very low51.1Low129 Ų129113.7 Ų113.760%0.59758%0.581SS**Hα-helixtrans-65.8-36.9176-90.7-79000113.8D19 V21 T27D19-H23 PolarHBondContact O-N 2.68Å; D19-H23 VanDerWaalsContact O-N 3.15Å; V21-H23 PolarHBondContact O-N 3.27Å; H23-T27 WeakPolarHBondContact O-CB 3.34Å; H23-T27 PolarHBondContact O-N 3.32Å; H23-T27 PolarHBondContact O-OG1 2.74Å
24H46.1Very low51.9Low126 Ų126111.4 Ų111.458%0.58357%0.568SS**Hα-helixtrans-71.3-42.5-180-171.8-106.5000112.5L20 V21 D22 T27 N28L20-H24 PolarHBondContact O-N 3.15Å; V21-H24 PolarHBondContact O-N 3.48Å; D22-H24 PolarHBondContact O-N 3.01Å; H24-T27 PolarHBondContact O-OG1 3.05Å; H24-N28 PolarHBondContact CD2-ND2 3.44Å; H24-N28 PolarHBondContact CE1-ND2 3.42Å; H24-N28 PolarHBondContact ND1-ND2 2.93Å; H24-N28 PolarHBondContact NE2-ND2 3.13Å; H24-N28 VanDerWaalsContact NE2-ND2 3.13Å; H24-N28 WeakPolarHBondContact O-CB 3.45Å; H24-N28 PolarHBondContact O-N 3.27Å; H24-N28 PolarHBondContact O-ND2 2.74Å
25W45.3Very low52.3Low131 Ų131109.8 Ų109.850%0.49655%0.554SS.*Hα-helixtrans-70.2-39.9176.387.4-93.9000111.2V21 D22 T27 N28 V29V21-W25 PolarHBondContact O-N 3.47Å; D22-W25 VanDerWaalsContact CA-CD1 3.46Å; D22-W25 PolarHBondContact O-NE1 3.04Å; D22-W25 PolarHBondContact OD1-NE1 2.76Å; W25-T27 PolarHBondContact O-N 3.44Å; W25-N28 PolarHBondContact O-N 3.43Å; W25-V29 HydrophobicContact CE3-CB 4.19Å; W25-V29 HydrophobicContact CE3-CG2 3.64Å; W25-V29 HydrophobicContact CZ3-CB 4.29Å; W25-V29 HydrophobicContact CZ3-CG1 4.4Å; W25-V29 HydrophobicContact CZ3-CG2 3.98Å; W25-V29 WeakPolarHBondContact O-CB 3.36Å; W25-V29 WeakPolarHBondContact O-CG2 3.25Å; W25-V29 PolarHBondContact O-N 3.41Å
26R52.4Low52.8Low123 Ų123111.9 Ų111.946%0.46455%0.554SS.*Hα-helixtrans-59.7-46.3175.3-74-178.2-159.9-109.44.3112.1D22 V29 I30D22-R26 WeakPolarHBondContact O-CB 3.37Å; D22-R26 VanDerWaalsContact O-CG 3.25Å; D22-R26 WeakPolarHBondContact O-CG 3.29Å; D22-R26 PolarHBondContact O-N 2.97Å; D22-R26 VanDerWaalsContact O-N 3.08Å; D22-R26 IonicContact OD1-CZ 3.62Å; D22-R26 IonicContact OD1-NE 3.36Å; D22-R26 PolarHBondContact OD1-NE 3.49Å; D22-R26 IonicContact OD1-NH2 3.47Å; D22-R26 IonicContact OD2-CZ 2.74Å; D22-R26 IonicContact OD2-NE 3.5Å; D22-R26 PolarHBondContact OD2-NE 3.25Å; D22-R26 IonicContact OD2-NH2 3.91Å; D22-R26 PolarHBondContact OD2-NH2 3.46Å; R26-V29 PolarHBondContact O-N 2.72Å; R26-I30 HydrophobicContact CB-CD1 4.48Å; R26-I30 VanDerWaalsContact O-CB 3.23Å; R26-I30 WeakPolarHBondContact O-CB 3.35Å; R26-I30 WeakPolarHBondContact O-CD1 3.21Å; R26-I30 WeakPolarHBondContact O-CG1 3.43Å; R26-I30 PolarHBondContact O-N 3.43Å
27T54.1Low53.4Low68 Ų68107.5 Ų107.542%0.41754%0.535SS..Hα-helixtrans-65.6-40177.7420000112.2H23 H24 W25 N31H23-T27 WeakPolarHBondContact O-CB 3.34Å; H23-T27 PolarHBondContact O-N 3.32Å; H23-T27 PolarHBondContact O-OG1 2.74Å; H24-T27 PolarHBondContact O-OG1 3.05Å; W25-T27 PolarHBondContact O-N 3.44Å; T27-N31 WeakPolarHBondContact O-CB 3.47Å; T27-N31 PolarHBondContact O-N 2.9Å; T27-N31 PolarHBondContact O-ND2 3.47Å; T27-N31 VanDerWaalsContact O-ND2 3.1Å
28N55.2Low53.7Low79 Ų79105.4 Ų105.442%0.42253%0.531SS..Hα-helixtrans-66.3-41.8175.8-78.6-71.1000112.6H24 W25 N31 Y32H24-N28 PolarHBondContact CD2-ND2 3.44Å; H24-N28 PolarHBondContact CE1-ND2 3.42Å; H24-N28 PolarHBondContact ND1-ND2 2.93Å; H24-N28 PolarHBondContact NE2-ND2 3.13Å; H24-N28 VanDerWaalsContact NE2-ND2 3.13Å; H24-N28 WeakPolarHBondContact O-CB 3.45Å; H24-N28 PolarHBondContact O-N 3.27Å; H24-N28 PolarHBondContact O-ND2 2.74Å; W25-N28 PolarHBondContact O-N 3.43Å; N28-N31 PolarHBondContact O-N 2.7Å; N28-Y32 WeakPolarHBondContact O-CB 3.36Å; N28-Y32 PolarHBondContact O-N 2.91Å
29V57.6Low54.4Low57 Ų57106 Ų10635%0.34553%0.526SS..Hα-helixtrans-66.7-44.9175.71680000111.4W25 R26 N31 Y32 F33W25-V29 HydrophobicContact CE3-CB 4.19Å; W25-V29 HydrophobicContact CE3-CG2 3.64Å; W25-V29 HydrophobicContact CZ3-CB 4.29Å; W25-V29 HydrophobicContact CZ3-CG1 4.4Å; W25-V29 HydrophobicContact CZ3-CG2 3.98Å; W25-V29 WeakPolarHBondContact O-CB 3.36Å; W25-V29 WeakPolarHBondContact O-CG2 3.25Å; W25-V29 PolarHBondContact O-N 3.41Å; R26-V29 PolarHBondContact O-N 2.72Å; V29-N31 VanDerWaalsContact C-N 3.34Å; V29-N31 PolarHBondContact O-N 3.37Å; V29-Y32 PolarHBondContact O-N 3.36Å; V29-F33 HydrophobicContact CG1-CD2 3.62Å; V29-F33 HydrophobicContact CG1-CE2 3.71Å; V29-F33 WeakPolarHBondContact O-CD2 3.25Å; V29-F33 PolarHBondContact O-N 3.27Å
30I59Low55.2Low94 Ų94103.3 Ų103.348%0.48251%0.514SS..Hα-helixtrans-60.5-43.8175-70.7165.6000110.5R26 Y32 F33 L34R26-I30 HydrophobicContact CB-CD1 4.48Å; R26-I30 VanDerWaalsContact O-CB 3.23Å; R26-I30 WeakPolarHBondContact O-CB 3.35Å; R26-I30 WeakPolarHBondContact O-CD1 3.21Å; R26-I30 WeakPolarHBondContact O-CG1 3.43Å; R26-I30 PolarHBondContact O-N 3.43Å; I30-Y32 PolarHBondContact O-N 2.7Å; I30-F33 PolarHBondContact O-N 3.17Å; I30-L34 HydrophobicContact CG2-CD1 3.6Å; I30-L34 WeakPolarHBondContact O-CB 3.42Å; I30-L34 WeakPolarHBondContact O-CD1 3.4Å; I30-L34 PolarHBondContact O-N 2.98Å
31N56Low56.2Low97 Ų97100.6 Ų100.652%0.51950%0.499SS..Hα-helixtrans-64.4-37.3175.4-74.9-29.3000112.2T27 N28 V29 L34 F35T27-N31 WeakPolarHBondContact O-CB 3.47Å; T27-N31 PolarHBondContact O-N 2.9Å; T27-N31 PolarHBondContact O-ND2 3.47Å; T27-N31 VanDerWaalsContact O-ND2 3.1Å; N28-N31 PolarHBondContact O-N 2.7Å; V29-N31 VanDerWaalsContact C-N 3.34Å; V29-N31 PolarHBondContact O-N 3.37Å; N31-L34 PolarHBondContact O-N 2.84Å; N31-F35 WeakPolarHBondContact O-CB 3.4Å; N31-F35 PolarHBondContact O-N 3.31Å
32Y57Low57.1Low182 Ų182102.1 Ų102.171%0.71450%0.498SS*.Hα-helixtrans-67-44.6175.9-146.7-87.9000111.4N28 V29 I30 F35 D36N28-Y32 WeakPolarHBondContact O-CB 3.36Å; N28-Y32 PolarHBondContact O-N 2.91Å; V29-Y32 PolarHBondContact O-N 3.36Å; I30-Y32 PolarHBondContact O-N 2.7Å; Y32-F35 PolarHBondContact O-N 2.76Å; Y32-D36 WeakPolarHBondContact O-CB 3.42Å; Y32-D36 PolarHBondContact O-N 3.48Å
33F56.1Low58Low141 Ų141102.7 Ų102.762%0.61850%0.503SS*.Hα-helixtrans-65.3-37.4173.9-87.7-74.6000112.7V29 I30 S37V29-F33 HydrophobicContact CG1-CD2 3.62Å; V29-F33 HydrophobicContact CG1-CE2 3.71Å; V29-F33 WeakPolarHBondContact O-CD2 3.25Å; V29-F33 PolarHBondContact O-N 3.27Å; I30-F33 PolarHBondContact O-N 3.17Å; F33-S37 WeakPolarHBondContact O-CB 3.22Å; F33-S37 PolarHBondContact O-N 3.08Å; F33-S37 PolarHBondContact O-OG 2.92Å
34L56.1Low59.2Low111 Ų111102.2 Ų102.258%0.58150%0.499SS*.Hα-helixtrans-68.2-39.3173.2-102.3128.3000111.9I30 N31 C38I30-L34 HydrophobicContact CG2-CD1 3.6Å; I30-L34 WeakPolarHBondContact O-CB 3.42Å; I30-L34 WeakPolarHBondContact O-CD1 3.4Å; I30-L34 PolarHBondContact O-N 2.98Å; N31-L34 PolarHBondContact O-N 2.84Å; L34-C38 WeakPolarHBondContact O-CB 3.4Å; L34-C38 PolarHBondContact O-N 2.82Å
35F55.4Low60.4Low149 Ų149101.6 Ų101.665%0.65450%0.5SS*.Hα-helixtrans-67.1-44.6177.5-170.7-98.8000111.1N31 Y32 C38 Q39N31-F35 WeakPolarHBondContact O-CB 3.4Å; N31-F35 PolarHBondContact O-N 3.31Å; Y32-F35 PolarHBondContact O-N 2.76Å; F35-C38 PolarHBondContact O-N 3.26Å; F35-Q39 VanDerWaalsContact O-CB 3.26Å; F35-Q39 WeakPolarHBondContact O-CB 3.38Å; F35-Q39 PolarHBondContact O-N 2.73Å
36D59.1Low61.8Low89 Ų8998.5 Ų98.548%0.47650%0.495SS..Hα-helixtrans-69-38.4176-164.937.3000112.2Y32 C38 Q39 T40Y32-D36 WeakPolarHBondContact O-CB 3.42Å; Y32-D36 PolarHBondContact O-N 3.48Å; D36-C38 VanDerWaalsContact C-N 3.34Å; D36-C38 PolarHBondContact O-N 3.13Å; D36-Q39 PolarHBondContact O-N 2.87Å; D36-T40 WeakPolarHBondContact O-CB 3.47Å; D36-T40 WeakPolarHBondContact O-CG2 3.41Å; D36-T40 PolarHBondContact O-N 3.36Å; D36-T40 PolarHBondContact O-OG1 3.07Å
37S60.1Low62.7Low63 Ų6397.8 Ų97.844%0.44150%0.5SS..Hα-helixtrans-64.1-37.6170.9-61.60000112.2F33 T40 M41F33-S37 WeakPolarHBondContact O-CB 3.22Å; F33-S37 PolarHBondContact O-N 3.08Å; F33-S37 PolarHBondContact O-OG 2.92Å; S37-T40 WeakPolarHBondContact CA-OG1 3.49Å; S37-T40 PolarHBondContact O-OG1 3.43Å; S37-T40 VanDerWaalsContact O-OG1 3.05Å; S37-M41 VanDerWaalsContact O-CB 3.28Å; S37-M41 WeakPolarHBondContact O-CB 3.47Å; S37-M41 WeakPolarHBondContact O-CG 3.38Å; S37-M41 PolarHBondContact O-N 3.39Å
38C56.7Low63.5Low83 Ų8398.8 Ų98.856%0.56150%0.502SS*.Hα-helixtrans-70.3-39.7175.3-170.90000111.4L34 F35 D36 M41 F42L34-C38 WeakPolarHBondContact O-CB 3.4Å; L34-C38 PolarHBondContact O-N 2.82Å; F35-C38 PolarHBondContact O-N 3.26Å; D36-C38 VanDerWaalsContact C-N 3.34Å; D36-C38 PolarHBondContact O-N 3.13Å; C38-M41 PolarHBondContact O-N 2.92Å; C38-F42 VanDerWaalsContact O-CB 3.29Å; C38-F42 WeakPolarHBondContact O-CB 3.13Å; C38-F42 PolarHBondContact O-N 3.5Å
39Q67Low64.2Low100 Ų10098.4 Ų98.447%0.46751%0.506SS..Hα-helixtrans-68.6-41.2178.2-173.765.55.500111.7F35 D36 F42 T43F35-Q39 VanDerWaalsContact O-CB 3.26Å; F35-Q39 WeakPolarHBondContact O-CB 3.38Å; F35-Q39 PolarHBondContact O-N 2.73Å; D36-Q39 PolarHBondContact O-N 2.87Å; Q39-F42 PolarHBondContact O-N 3.1Å; Q39-T43 WeakPolarHBondContact O-CB 3.44Å; Q39-T43 WeakPolarHBondContact O-CG2 3.4Å; Q39-T43 PolarHBondContact O-N 3.46Å; Q39-T43 PolarHBondContact O-OG1 3.14Å
40T65.8Low64.6Low58 Ų58101 Ų10136%0.35651%0.514SS..Hα-helixtrans-66.2-44.2172.350.30000111.2D36 S37 F42 T43 F44D36-T40 WeakPolarHBondContact O-CB 3.47Å; D36-T40 WeakPolarHBondContact O-CG2 3.41Å; D36-T40 PolarHBondContact O-N 3.36Å; D36-T40 PolarHBondContact O-OG1 3.07Å; S37-T40 WeakPolarHBondContact CA-OG1 3.49Å; S37-T40 PolarHBondContact O-OG1 3.43Å; S37-T40 VanDerWaalsContact O-OG1 3.05Å; T40-F42 VanDerWaalsContact C-N 3.34Å; T40-F42 PolarHBondContact O-N 2.79Å; T40-T43 WeakPolarHBondContact CA-OG1 3.35Å; T40-T43 PolarHBondContact O-N 3.06Å; T40-T43 PolarHBondContact O-OG1 3.13Å; T40-F44 WeakPolarHBondContact O-CB 3.45Å; T40-F44 WeakPolarHBondContact O-CD2 3.38Å; T40-F44 PolarHBondContact O-N 3.09Å
41M68.9Low64.6Low88 Ų88101.3 Ų101.343%0.43352%0.516SS..Hα-helixtrans-58.8-42.6172-73-85.484.100112.5S37 C38 F44 L45S37-M41 VanDerWaalsContact O-CB 3.28Å; S37-M41 WeakPolarHBondContact O-CB 3.47Å; S37-M41 WeakPolarHBondContact O-CG 3.38Å; S37-M41 PolarHBondContact O-N 3.39Å; C38-M41 PolarHBondContact O-N 2.92Å; M41-F44 PolarHBondContact O-N 3.46Å; M41-L45 WeakPolarHBondContact O-CB 3.22Å; M41-L45 VanDerWaalsContact O-CG 3.25Å; M41-L45 WeakPolarHBondContact O-CG 3.46Å; M41-L45 PolarHBondContact O-N 3.02Å
42F69.4Low64.7Low127 Ų127100 Ų10056%0.55751%0.513SS*.Hα-helixtrans-66.4-43.3178.6-167.3-97.1000112.1C38 Q39 T40 L45 V46C38-F42 VanDerWaalsContact O-CB 3.29Å; C38-F42 WeakPolarHBondContact O-CB 3.13Å; C38-F42 PolarHBondContact O-N 3.5Å; Q39-F42 PolarHBondContact O-N 3.1Å; T40-F42 VanDerWaalsContact C-N 3.34Å; T40-F42 PolarHBondContact O-N 2.79Å; F42-L45 PolarHBondContact O-N 3.39Å; F42-V46 HydrophobicContact CD1-CG2 4.2Å; F42-V46 HydrophobicContact CE1-CG2 3.99Å; F42-V46 WeakPolarHBondContact O-CG2 3.23Å; F42-V46 PolarHBondContact O-N 3.25Å
43T71.8Confident64.7Low61 Ų6196.1 Ų96.137%0.37451%0.508SS..Hα-helixtrans-66.6-36.8175.449.50000112.6Q39 T40 V46 L47Q39-T43 WeakPolarHBondContact O-CB 3.44Å; Q39-T43 WeakPolarHBondContact O-CG2 3.4Å; Q39-T43 PolarHBondContact O-N 3.46Å; Q39-T43 PolarHBondContact O-OG1 3.14Å; T40-T43 WeakPolarHBondContact CA-OG1 3.35Å; T40-T43 PolarHBondContact O-N 3.06Å; T40-T43 PolarHBondContact O-OG1 3.13Å; T43-V46 PolarHBondContact O-N 3.15Å; T43-L47 WeakPolarHBondContact O-CB 3.34Å; T43-L47 PolarHBondContact O-N 2.96Å
44F73.9Confident64.6Low120 Ų12092.6 Ų92.653%0.52651%0.505SS..Hα-helixtrans-65.2-41.4170.4-85.1-64.5000112.6T40 M41 V46 L47 L48T40-F44 WeakPolarHBondContact O-CB 3.45Å; T40-F44 WeakPolarHBondContact O-CD2 3.38Å; T40-F44 PolarHBondContact O-N 3.09Å; M41-F44 PolarHBondContact O-N 3.46Å; F44-V46 VanDerWaalsContact C-N 3.34Å; F44-V46 PolarHBondContact O-N 3.3Å; F44-L47 PolarHBondContact O-N 2.85Å; F44-L48 WeakPolarHBondContact O-CB 3.28Å; F44-L48 VanDerWaalsContact O-CG 3.25Å; F44-L48 WeakPolarHBondContact O-CG 3.21Å; F44-L48 PolarHBondContact O-N 2.83Å
45L71.4Confident64.7Low113 Ų11392.3 Ų92.359%0.59251%0.508SS*.Hα-helixtrans-62.4-40.5174.2-74167.8000111.7M41 F42 S49M41-L45 WeakPolarHBondContact O-CB 3.22Å; M41-L45 VanDerWaalsContact O-CG 3.25Å; M41-L45 WeakPolarHBondContact O-CG 3.46Å; M41-L45 PolarHBondContact O-N 3.02Å; F42-L45 PolarHBondContact O-N 3.39Å; L45-S49 WeakPolarHBondContact O-CB 3.38Å; L45-S49 PolarHBondContact O-N 2.88Å; L45-S49 PolarHBondContact O-OG 3.36Å
46V74.1Confident64.5Low66 Ų6692.9 Ų92.940%0.452%0.517SS..Hα-helixtrans-62.8-49.81731720000110.4F42 T43 F44 L48 S49 Q50F42-V46 HydrophobicContact CD1-CG2 4.2Å; F42-V46 HydrophobicContact CE1-CG2 3.99Å; F42-V46 WeakPolarHBondContact O-CG2 3.23Å; F42-V46 PolarHBondContact O-N 3.25Å; T43-V46 PolarHBondContact O-N 3.15Å; F44-V46 VanDerWaalsContact C-N 3.34Å; F44-V46 PolarHBondContact O-N 3.3Å; V46-L48 PolarHBondContact O-N 2.86Å; V46-S49 PolarHBondContact O-N 3.18Å; V46-S49 VanDerWaalsContact O-N 3.08Å; V46-S49 PolarHBondContact O-OG 2.93Å; V46-Q50 WeakPolarHBondContact O-CG 3.24Å; V46-Q50 PolarHBondContact O-N 2.89Å; V46-Q50 VanDerWaalsContact O-N 3.16Å
47L72.6Confident64.2Low107 Ų10791 Ų9156%0.5652%0.518SS*.Hα-helixtrans-57.1-44.9176.4-83.8160.2000113T43 F44 S49 Q50 L51T43-L47 WeakPolarHBondContact O-CB 3.34Å; T43-L47 PolarHBondContact O-N 2.96Å; F44-L47 PolarHBondContact O-N 2.85Å; L47-S49 VanDerWaalsContact C-N 3.27Å; L47-S49 PolarHBondContact O-N 3.45Å; L47-Q50 PolarHBondContact O-N 3.02Å; L47-Q50 VanDerWaalsContact O-N 3.13Å; L47-L51 PolarHBondContact O-N 3.28Å; L47-L51 VanDerWaalsContact O-N 3.15Å
48L71.4Confident63.4Low90 Ų9096.3 Ų96.347%0.47153%0.534SS..Hα-helixtrans-65-28.9176.6-71.5169.9000112.8F44 V46 L51 P52F44-L48 WeakPolarHBondContact O-CB 3.28Å; F44-L48 VanDerWaalsContact O-CG 3.25Å; F44-L48 WeakPolarHBondContact O-CG 3.21Å; F44-L48 PolarHBondContact O-N 2.83Å; V46-L48 PolarHBondContact O-N 2.86Å; L48-L51 HydrophobicContact CD2-CD1 3.97Å; L48-P52 VanDerWaalsContact O-CD 3.27Å; L48-P52 WeakPolarHBondContact O-CD 3.41Å
49S69.2Low62.9Low70 Ų7098.2 Ų98.249%0.4955%0.545SS..Hα-helixtrans-77.3-20.1173.470.60000114.2L45 V46 L47L45-S49 WeakPolarHBondContact O-CB 3.38Å; L45-S49 PolarHBondContact O-N 2.88Å; L45-S49 PolarHBondContact O-OG 3.36Å; V46-S49 PolarHBondContact O-N 3.18Å; V46-S49 VanDerWaalsContact O-N 3.08Å; V46-S49 PolarHBondContact O-OG 2.93Å; L47-S49 VanDerWaalsContact C-N 3.27Å; L47-S49 PolarHBondContact O-N 3.45Å
50Q65.3Low61.9Low113 Ų113101.9 Ų101.953%0.52856%0.562SS.*Hα-helixtrans-88.7-25175.6-60.8-58-27.600113.5V46 L47 T53V46-Q50 WeakPolarHBondContact O-CG 3.24Å; V46-Q50 PolarHBondContact O-N 2.89Å; V46-Q50 VanDerWaalsContact O-N 3.16Å; L47-Q50 PolarHBondContact O-N 3.02Å; L47-Q50 VanDerWaalsContact O-N 3.13Å; Q50-T53 WeakPolarHBondContact O-CB 3.47Å; Q50-T53 PolarHBondContact O-N 3.45Å; Q50-T53 VanDerWaalsContact O-N 3.14Å; Q50-T53 PolarHBondContact O-OG1 2.84Å
51L59.9Low60.6Low99 Ų99105.1 Ų105.152%0.51859%0.585SS.*Hα-helixtrans-53.8-43.1178.3-93.7157.4000114.7L47 L48 T53 A54 T55L47-L51 PolarHBondContact O-N 3.28Å; L47-L51 VanDerWaalsContact O-N 3.15Å; L48-L51 HydrophobicContact CD2-CD1 3.97Å; L51-T53 PolarHBondContact O-N 2.67Å; L51-A54 PolarHBondContact O-N 2.83Å; L51-A54 VanDerWaalsContact O-N 3.15Å; L51-T55 PolarHBondContact O-N 2.86Å; L51-T55 PolarHBondContact O-OG1 2.79Å
52P58.6Low59.6Low71 Ų71107.6 Ų107.646%0.46161%0.606SS.*Hα-helixtrans-58.1-35.3176.6-26.235.2000113.7L48 A54 T55L48-P52 VanDerWaalsContact O-CD 3.27Å; L48-P52 WeakPolarHBondContact O-CD 3.41Å; P52-A54 VanDerWaalsContact C-N 3.29Å; P52-A54 PolarHBondContact O-N 3.1Å; P52-T55 WeakPolarHBondContact CA-OG1 3.02Å; P52-T55 PolarHBondContact O-N 3.43Å; P52-T55 PolarHBondContact O-OG1 3.09Å
53T55.9Low57.9Low100 Ų100113.4 Ų113.461%0.61362%0.624SS**Hα-helixtrans-67-30.5-179.5-380000111.9Q50 L51Q50-T53 WeakPolarHBondContact O-CB 3.47Å; Q50-T53 PolarHBondContact O-N 3.45Å; Q50-T53 VanDerWaalsContact O-N 3.14Å; Q50-T53 PolarHBondContact O-OG1 2.84Å; L51-T53 PolarHBondContact O-N 2.67Å
54A54.9Low56.5Low66 Ų66113.3 Ų113.355%0.54564%0.635SS.*Hα-helixtrans-80.3-31.4176.700000113L51 P52L51-A54 PolarHBondContact O-N 2.83Å; L51-A54 VanDerWaalsContact O-N 3.15Å; P52-A54 VanDerWaalsContact C-N 3.29Å; P52-A54 PolarHBondContact O-N 3.1Å
55T57Low55.1Low106 Ų106114.1 Ų114.165%0.6565%0.652SS**Hα-helixtrans-84.8-7.2-173.447.80000116L51 P52L51-T55 PolarHBondContact O-N 2.86Å; L51-T55 PolarHBondContact O-OG1 2.79Å; P52-T55 WeakPolarHBondContact CA-OG1 3.02Å; P52-T55 PolarHBondContact O-N 3.43Å; P52-T55 PolarHBondContact O-OG1 3.09Å
56L52.4Low53.5Low161 Ų161118.7 Ų118.784%0.84367%0.667SS**THydrogen-bonded Turntrans-114.16.1177.9-66.9174.8000113.8
57G52.8Low52.2Low48 Ų48120.6 Ų120.650%0.49569%0.69SS.*SBendtrans-95.50.2-170.700000117.4
58F43.5Very low50.7Low176 Ų176120.9 Ų120.977%0.77270%0.701SS**  trans-131.6101.4-172.8-75.3-78.9000114H60F58-H60 PolarHBondContact O-N 3.07Å
59P45.7Very low49.2Very low122 Ų122125.7 Ų125.779%0.79272%0.718SS**  trans-71.2113.9159.928.7-30.6000109.5C61P59-C61 PolarHBondContact O-N 3.14Å
60H44.6Very low47.8Very low178 Ų178131.2 Ų131.282%0.82474%0.736SS**  trans-66.4111176.3-75-95.6000111.5F58F58-H60 PolarHBondContact O-N 3.07Å
61C38.7Very low47Very low125 Ų125131.1 Ų131.185%0.84576%0.755SS**  trans-126.493.2165-89.40000110.1P59 R63P59-C61 PolarHBondContact O-N 3.14Å; C61-R63 PolarHBondContact O-N 2.03Å
62T48.1Very low46.2Very low141 Ų141129 Ų12987%0.86576%0.756SS**  trans-67.1119.617549.90000111.1
63R35.2Very low46.1Very low249 Ų249134.3 Ų134.394%0.9478%0.775SS**  trans-120.1110.3166.5-160.3173.5-176.5104.1-4.8108.5C61C61-R63 PolarHBondContact O-N 2.03Å
64G41.4Very low46Very low59 Ų59137.6 Ų137.661%0.60878%0.783SS**  trans-68.3163.7-165.400000115.4K66G64-K66 PolarHBondContact O-N 3.5Å
65P44.3Very low46.5Very low137 Ų137140 Ų14089%0.8979%0.79SS**  trans-72.3119.7-176.429.8-33.9000111
66K38.5Very low46.8Very low208 Ų208143.5 Ų143.590%0.90480%0.797SS**  trans-90.3106.8160.6-81.4-170.6174.3-1750108.8G64 S68G64-K66 PolarHBondContact O-N 3.5Å; K66-S68 PolarHBondContact O-N 3.07Å
67A45.5Very low47.6Very low106 Ų106139.4 Ų139.488%0.87678%0.779SS**  trans-64.9126.7163.800000109.6
68S41.5Very low48.7Very low113 Ų113139.9 Ų139.979%0.7978%0.775SS**  trans-119.9122.1156.659.10000108.4K66K66-S68 PolarHBondContact O-N 3.07Å
69K41Very low49.8Very low191 Ų191138.8 Ų138.883%0.8377%0.77SS**  trans-54.2142170.3-58.5171.8178.3179.50109.2
70H38.2Very low50.9Low187 Ų187139.1 Ų139.187%0.86676%0.761SS**  -166.4116.8112.2-94.3-67.8000108.5G72H70-G72 PolarHBondContact O-N 3.37Å
71A48.8Very low52Low111 Ų111135.6 Ų135.692%0.91775%0.745SS**  trans-77.9100.1169.200000108
72G43.8Very low53.3Low53 Ų53130.8 Ų130.855%0.54671%0.713SS.*  trans-94.2133154.600000107.9H70 E74H70-G72 PolarHBondContact O-N 3.37Å; G72-E74 PolarHBondContact O-N 3.43Å
73E55.8Low54Low183 Ų183128.3 Ų128.386%0.85570%0.695SS**  trans-77.676.5178.7-170.1176.4-172.200109.9V75E73-V75 HydrophobicContact CG-CG2 4.32Å; E73-V75 PolarHBondContact O-N 2.79Å
74E55.2Low55.4Low170 Ų170123.5 Ų123.579%0.79468%0.681SS**  trans-89.192.3177.9-58.8-156.2-12900109.3G72 F76G72-E74 PolarHBondContact O-N 3.43Å; E74-F76 PolarHBondContact O-N 3.42Å
75V63.8Low56.3Low115 Ų115127.8 Ų127.870%0.69768%0.683SS**SBendtrans-60.7-4.9-178.4178.60000113.3E73E73-V75 HydrophobicContact CG-CG2 4.32Å; E73-V75 PolarHBondContact O-N 2.79Å
76F63.5Low56.9Low180 Ų180127.3 Ų127.379%0.78967%0.672SS**SBendtrans-125.1119.4173.3-63.3-81.1000110.4E74E74-F76 PolarHBondContact O-N 3.42Å
77T70.3Confident57.5Low76 Ų76126.5 Ų126.547%0.46666%0.663SS.*  trans-59.3149.6170.952.40000111.3
78S74.4Confident57.8Low57 Ų57132.4 Ų132.440%0.39966%0.663SS.*  trans-53153.6173.968.10000112E80 E81 A82S78-E80 PolarHBondContact O-N 2.7Å; S78-E81 PolarHBondContact O-N 2.6Å; S78-E81 VanDerWaalsContact O-N 3.14Å; S78-E81 WeakPolarHBondContact OG-CB 3.45Å; S78-E81 PolarHBondContact OG-N 2.87Å; S78-A82 WeakPolarHBondContact O-CB 3.29Å; S78-A82 PolarHBondContact O-N 3.48Å
79K67.1Low58.1Low153 Ų153137.8 Ų137.867%0.66567%0.666SS**Hα-helixtrans-58.4-35-178.3176.7-173.4176-171.60111.8N83K79-N83 VanDerWaalsContact O-CB 3.27Å; K79-N83 WeakPolarHBondContact O-CB 3.41Å; K79-N83 PolarHBondContact O-N 2.95Å
80E70.1Confident58.6Low130 Ų130135 Ų13561%0.60766%0.659SS**Hα-helixtrans-71.1-39-178.6-66.359.8-131.700110.9S78 F84S78-E80 PolarHBondContact O-N 2.7Å; E80-F84 PolarHBondContact O-N 2.7Å
81E65.9Low59.2Low104 Ų104133.4 Ų133.449%0.48666%0.656SS.*Hα-helixtrans-77.3-41.1176.9-171.1161.5-154.400111.8S78 N83 F84 F85S78-E81 PolarHBondContact O-N 2.6Å; S78-E81 VanDerWaalsContact O-N 3.14Å; S78-E81 WeakPolarHBondContact OG-CB 3.45Å; S78-E81 PolarHBondContact OG-N 2.87Å; E81-N83 VanDerWaalsContact C-N 3.28Å; E81-N83 PolarHBondContact O-N 3.06Å; E81-F84 WeakPolarHBondContact O-CA 3.01Å; E81-F84 VanDerWaalsContact O-CB 3.24Å; E81-F84 WeakPolarHBondContact O-CB 3.46Å; E81-F84 PolarHBondContact O-N 2.81Å; E81-F85 HydrophobicContact CG-CE2 4.06Å; E81-F85 VanDerWaalsContact O-CD2 3.22Å; E81-F85 WeakPolarHBondContact O-CD2 3.49Å; E81-F85 PolarHBondContact O-N 2.81Å
82A66.1Low58.9Low23 Ų23137.8 Ų137.819%0.1965%0.651CS.*Hα-helixtrans-58.3-39.5168.800000111.7S78 F84 F85 I86S78-A82 WeakPolarHBondContact O-CB 3.29Å; S78-A82 PolarHBondContact O-N 3.48Å; A82-F84 PolarHBondContact O-N 2.71Å; A82-F85 PolarHBondContact O-N 3.4Å; A82-I86 WeakPolarHBondContact O-CB 3.29Å; A82-I86 VanDerWaalsContact O-CG1 3.28Å; A82-I86 WeakPolarHBondContact O-CG1 3.49Å; A82-I86 PolarHBondContact O-N 2.82Å
83N64.4Low59.1Low90 Ų90138.5 Ų138.548%0.48164%0.642SS.*Hα-helixtrans-66.6-20.2172.7-93.2-23.4000113.7K79 E81 R87K79-N83 VanDerWaalsContact O-CB 3.27Å; K79-N83 WeakPolarHBondContact O-CB 3.41Å; K79-N83 PolarHBondContact O-N 2.95Å; E81-N83 VanDerWaalsContact C-N 3.28Å; E81-N83 PolarHBondContact O-N 3.06Å; N83-R87 WeakPolarHBondContact O-CG 3.49Å
84F64Low58.9Low148 Ų148139 Ų13965%0.64964%0.636SS**Hα-helixtrans-74.4-43.7170.2-169.9-96.6000110.5E80 E81 A82 R87E80-F84 PolarHBondContact O-N 2.7Å; E81-F84 WeakPolarHBondContact O-CA 3.01Å; E81-F84 VanDerWaalsContact O-CB 3.24Å; E81-F84 WeakPolarHBondContact O-CB 3.46Å; E81-F84 PolarHBondContact O-N 2.81Å; A82-F84 PolarHBondContact O-N 2.71Å; F84-R87 PolarHBondContact O-N 2.79Å
85F60.4Low58.8Low148 Ų148140.7 Ų140.765%0.64964%0.641SS**Hα-helixtrans-68.1-33.9174.1-69.1-73.3000113.8E81 A82 R87E81-F85 HydrophobicContact CG-CE2 4.06Å; E81-F85 VanDerWaalsContact O-CD2 3.22Å; E81-F85 WeakPolarHBondContact O-CD2 3.49Å; E81-F85 PolarHBondContact O-N 2.81Å; A82-F85 PolarHBondContact O-N 3.4Å; F85-R87 PolarHBondContact O-N 3.49Å
86I57.2Low58.4Low127 Ų127137.8 Ų137.865%0.65162%0.622SS**THydrogen-bonded Turntrans-82.17178.6-61.7165.8000112A82 R88A82-I86 WeakPolarHBondContact O-CB 3.29Å; A82-I86 VanDerWaalsContact O-CG1 3.28Å; A82-I86 WeakPolarHBondContact O-CG1 3.49Å; A82-I86 PolarHBondContact O-N 2.82Å; I86-R88 PolarHBondContact O-N 3.33Å
87R51.1Low58.2Low191 Ų191134.6 Ų134.672%0.72161%0.612SS**  trans-7086.5158.5-61.6-164.3-171.4-157.84109N83 F84 F85 R89N83-R87 WeakPolarHBondContact O-CG 3.49Å; F84-R87 PolarHBondContact O-N 2.79Å; F85-R87 PolarHBondContact O-N 3.49Å; R87-R89 VanDerWaalsContact C-N 3.33Å; R87-R89 PolarHBondContact O-N 3.46Å
88R52.2Low57.7Low231 Ų231136.7 Ų136.787%0.87262%0.617SS**  trans-50.5107.5151.9-84.7-169.9179.5-175-0.8106I86 L90I86-R88 PolarHBondContact O-N 3.33Å; R88-L90 VanDerWaalsContact C-N 3.33Å; R88-L90 PolarHBondContact O-N 2.87Å
89R47.1Very low57.2Low225 Ų225141.3 Ų141.385%0.84964%0.636SS**  trans-65.3102.4167.4-164.8-178.2-164.3-168.84.2104.2R87 L91R87-R89 VanDerWaalsContact C-N 3.33Å; R87-R89 PolarHBondContact O-N 3.46Å; R89-L91 WeakPolarHBondContact O-CD1 3.34Å; R89-L91 PolarHBondContact O-N 3.08Å
90L50.8Low56.9Low133 Ų133141.7 Ų141.770%0.69664%0.638SS**  trans-59.9112.2171.3-72.2166.8000106.2R88 Y92R88-L90 VanDerWaalsContact C-N 3.33Å; R88-L90 PolarHBondContact O-N 2.87Å; L90-Y92 VanDerWaalsContact C-N 3.27Å; L90-Y92 PolarHBondContact O-N 3.3Å
91L52Low56.8Low153 Ų153138.9 Ų138.980%0.80163%0.63SS**  trans-73.990.5174-89.376.8000106.9R89 N93R89-L91 WeakPolarHBondContact O-CD1 3.34Å; R89-L91 PolarHBondContact O-N 3.08Å; L91-N93 PolarHBondContact O-N 2.98Å
92Y42.2Very low57.3Low203 Ų203139 Ų13980%0.79664%0.64SS**  trans53.343.2157.7-155.5-98.5000116.6L90 R94L90-Y92 VanDerWaalsContact C-N 3.27Å; L90-Y92 PolarHBondContact O-N 3.3Å; Y92-R94 PolarHBondContact O-N 2.73Å; Y92-R94 VanDerWaalsContact O-N 3.09Å
93N47.1Very low57.8Low68 Ų68139.7 Ų139.736%0.36465%0.648SS.*  trans-56.7116.8166.6-64.480.2000110.2L91 F95 D96 E98L91-N93 PolarHBondContact O-N 2.98Å; N93-F95 VanDerWaalsContact C-N 3.26Å; N93-F95 PolarHBondContact O-N 3.22Å; N93-D96 WeakPolarHBondContact CA-OD2 3.43Å; N93-E98 PolarHBondContact ND2-OE1 2.72Å
94R51.5Low58.8Low195 Ų195139.2 Ų139.274%0.73665%0.646SS**  trans-91.750.9-178.6-163.6-169.9170.2-168.5-3.8111.1Y92 D96Y92-R94 PolarHBondContact O-N 2.73Å; Y92-R94 VanDerWaalsContact O-N 3.09Å; R94-D96 PolarHBondContact N-OD2 3.37Å; R94-D96 PolarHBondContact O-N 2.7Å
95F53.6Low59.9Low205 Ų205133.4 Ų133.490%0.89962%0.622SS**SBendtrans62.920.9-174.7-64.8-91.3000114.7N93 L97N93-F95 VanDerWaalsContact C-N 3.26Å; N93-F95 PolarHBondContact O-N 3.22Å; F95-L97 PolarHBondContact O-N 3.2Å
96D55Low61Low54 Ų54129.8 Ų129.829%0.28961%0.608SS.*  trans-75.2107175.7-15.8-83.1000108.1N93 R94 E98N93-D96 WeakPolarHBondContact CA-OD2 3.43Å; R94-D96 PolarHBondContact N-OD2 3.37Å; R94-D96 PolarHBondContact O-N 2.7Å; D96-E98 VanDerWaalsContact C-N 3.25Å; D96-E98 PolarHBondContact O-N 3.01Å
97L59.1Low62.3Low112 Ų112126 Ų12659%0.58659%0.585SS**  trans-79.881.1170.6-63.1175.1000108.6F95 L99 F100 T101F95-L97 PolarHBondContact O-N 3.2Å; L97-L99 PolarHBondContact O-N 2.8Å; L97-F100 HydrophobicContact CB-CD2 3.85Å; L97-F100 HydrophobicContact CD1-CD2 3.88Å; L97-F100 HydrophobicContact CD1-CE2 4.27Å; L97-F100 HydrophobicContact CG-CD2 4.45Å; L97-F100 PolarHBondContact O-N 2.88Å; L97-T101 PolarHBondContact O-N 3.19Å; L97-T101 VanDerWaalsContact O-N 3.15Å; L97-T101 PolarHBondContact O-OG1 2.8Å
98E60.5Low63.9Low121 Ų121118.3 Ų118.357%0.56556%0.558SS**THydrogen-bonded Turntrans-46.8-26.5174.9-67.1161.6-15400113.2N93 D96 F100N93-E98 PolarHBondContact ND2-OE1 2.72Å; D96-E98 VanDerWaalsContact C-N 3.25Å; D96-E98 PolarHBondContact O-N 3.01Å; E98-F100 VanDerWaalsContact C-N 3.35Å; E98-F100 PolarHBondContact O-N 3.32Å
99L63.4Low65.5Low153 Ų153107.4 Ų107.480%0.80152%0.516SS*.THydrogen-bonded Turntrans-73.5-19.1177.4-169.962000114.7L97L97-L99 PolarHBondContact O-N 2.8Å
100F60.4Low67.2Low162 Ų16299 Ų9971%0.71149%0.489SS*.THydrogen-bonded Turntrans-119.2-16.4-177.1-61.3-65000113.9L97 E98L97-F100 HydrophobicContact CB-CD2 3.85Å; L97-F100 HydrophobicContact CD1-CD2 3.88Å; L97-F100 HydrophobicContact CD1-CE2 4.27Å; L97-F100 HydrophobicContact CG-CD2 4.45Å; L97-F100 PolarHBondContact O-N 2.88Å; E98-F100 VanDerWaalsContact C-N 3.35Å; E98-F100 PolarHBondContact O-N 3.32Å
101T68.5Low68.6Low71 Ų7199.5 Ų99.544%0.43649%0.487SS..SBendtrans-95.8130176-50.30000108.9L97L97-T101 PolarHBondContact O-N 3.19Å; L97-T101 VanDerWaalsContact O-N 3.15Å; L97-T101 PolarHBondContact O-OG1 2.8Å
102P76.2Confident69.9Low107 Ų10797.3 Ų97.370%0.69547%0.473SS*.PPolyproline II helixtrans-62.2145.117227.4-34000110.7R107P102-R107 PolarHBondContact O-NH2 2.9Å
103G77.6Confident71.7Confident36 Ų3693.5 Ų93.537%0.37147%0.466SS..PPolyproline II helixtrans-58.8140172.500000111
104D84.6Confident73.6Confident81 Ų8190.6 Ų90.643%0.43345%0.45SS..  trans-136.9139.3178.3175.844.4000110.8E108D104-E108 WeakPolarHBondContact O-CB 3.19Å; D104-E108 PolarHBondContact O-N 2.9Å
105V86.7Confident75.3Confident25 Ų2584.7 Ų84.715%0.15243%0.434CS..Hα-helixtrans-69.8-35.8-172.4-169.40000111.8C109 N110 I122 F123 F132V105-C109 HydrophobicContact CG1-CB 4.14Å; V105-C109 WeakPolarHBondContact O-CA 3.36Å; V105-C109 WeakPolarHBondContact O-CB 3.47Å; V105-C109 PolarHBondContact O-N 3Å; V105-C109 VanDerWaalsContact O-N 3.09Å; V105-N110 PolarHBondContact O-N 2.69Å; V105-N110 VanDerWaalsContact O-N 3.13Å; V105-I122 HydrophobicContact CG2-CB 4.5Å; V105-I122 HydrophobicContact CG2-CD1 4.5Å; V105-I122 HydrophobicContact CG2-CG2 3.5Å; V105-F123 HydrophobicContact CB-CZ 4.49Å; V105-F123 HydrophobicContact CG1-CE2 4.45Å; V105-F123 HydrophobicContact CG1-CZ 4.14Å; V105-F123 HydrophobicContact CG2-CE1 4.01Å; V105-F123 HydrophobicContact CG2-CE2 3.93Å; V105-F123 HydrophobicContact CG2-CZ 3.49Å; V105-F123 VanDerWaalsContact CG2-CZ 3.49Å; V105-F132 HydrophobicContact CG1-CD2 4.37Å; V105-F132 HydrophobicContact CG1-CE2 3.55Å; V105-F132 HydrophobicContact CG1-CZ 3.68Å
106E84.3Confident77Confident73 Ų7378.4 Ų78.434%0.34140%0.404SS..Iπ-helixtrans-67.7-51.1179.5-167.669.2-167.700109.7N110 E111 K144E106-N110 CarbonylContact O-C 3.32Å; E106-N110 WeakPolarHBondContact O-CA 3.35Å; E106-N110 WeakPolarHBondContact O-CB 3.25Å; E106-N110 PolarHBondContact O-N 2.92Å; E106-N110 VanDerWaalsContact O-N 3.14Å; E106-N110 PolarHBondContact OE2-ND2 2.68Å; E106-E111 HydrophobicContact CG-CG 4.49Å; E106-E111 WeakPolarHBondContact O-CG 3.12Å; E106-E111 PolarHBondContact O-N 3.47Å; E106-K144 IonicContact OE1-NZ 3.16Å; E106-K144 PolarHBondContact OE1-NZ 3.38Å
107R83.8Confident78.5Confident46 Ų4678.6 Ų78.617%0.17440%0.404CS..Iπ-helixtrans-62-55.8178.3-177.1176.353.772.44.7112.8P102 E112P102-R107 PolarHBondContact O-NH2 2.9Å; R107-E112 WeakPolarHBondContact O-CB 3.22Å; R107-E112 PolarHBondContact O-N 3.3Å; R107-E112 VanDerWaalsContact O-N 3.09Å
108E84.4Confident79.9Confident31 Ų3176.8 Ų76.815%0.14539%0.392CS..Iπ-helixtrans-81.5-34.2-167.8-65.6179176.500113.2D104 E112 C114 I122D104-E108 WeakPolarHBondContact O-CB 3.19Å; D104-E108 PolarHBondContact O-N 2.9Å; E108-E112 CarbonylContact O-C 3.5Å; E108-E112 WeakPolarHBondContact O-CB 3.24Å; E108-C114 HydrophobicContact CB-CB 4.44Å; E108-C114 VanDerWaalsContact O-CB 3.29Å; E108-C114 WeakPolarHBondContact O-CB 3.48Å; E108-C114 PolarHBondContact O-N 2.81Å; E108-C114 VanDerWaalsContact O-N 3.07Å; E108-I122 HydrophobicContact CB-CD1 4.26Å; E108-I122 WeakPolarHBondContact OE2-CD1 3.28Å
109C86.3Confident81.2Confident1 Ų171 Ų711%0.00737%0.365CS..Iπ-helixtrans-112.5-18.9-173.5-640000115.5V105 E112 C114 F132 Y136V105-C109 HydrophobicContact CG1-CB 4.14Å; V105-C109 WeakPolarHBondContact O-CA 3.36Å; V105-C109 WeakPolarHBondContact O-CB 3.47Å; V105-C109 PolarHBondContact O-N 3Å; V105-C109 VanDerWaalsContact O-N 3.09Å; C109-E112 CarbonylContact C-O 3.59Å; C109-E112 VanDerWaalsContact C-O 3.31Å; C109-C114 VanDerWaalsContact CA-SG 3.55Å; C109-C114 HydrophobicContact CB-CB 3.96Å; C109-C114 WeakPolarHBondContact CB-SG 3.42Å; C109-C114 WeakPolarHBondContact SG-CB 3.37Å; C109-C114 CovalentContact SG-SG 2.03Å; C109-C114 PolarHBondContact SG-SG 2.81Å; C109-F132 HydrophobicContact CB-CE1 4.06Å; C109-F132 HydrophobicContact CB-CZ 3.65Å; C109-Y136 HydrophobicContact CB-CE2 4.45Å; C109-Y136 VanDerWaalsContact O-CE2 3.24Å; C109-Y136 WeakPolarHBondContact O-CE2 3.16Å
110N83Confident82.5Confident49 Ų4968.7 Ų68.726%0.26235%0.346SS..Iπ-helixtrans-108.8-34.6-179.4-59.5-29.4000113V105 E106V105-N110 PolarHBondContact O-N 2.69Å; V105-N110 VanDerWaalsContact O-N 3.13Å; E106-N110 CarbonylContact O-C 3.32Å; E106-N110 WeakPolarHBondContact O-CA 3.35Å; E106-N110 WeakPolarHBondContact O-CB 3.25Å; E106-N110 PolarHBondContact O-N 2.92Å; E106-N110 VanDerWaalsContact O-N 3.14Å; E106-N110 PolarHBondContact OE2-ND2 2.68Å
111E80.8Confident83.8Confident144 Ų14467.5 Ų67.567%0.67334%0.342SS*.Iπ-helixtrans-87.1-39.7170.7-64.1-179.6169.900111.1E106E106-E111 HydrophobicContact CG-CG 4.49Å; E106-E111 WeakPolarHBondContact O-CG 3.12Å; E106-E111 PolarHBondContact O-N 3.47Å
112E78.3Confident84.8Confident106 Ų10665.7 Ų65.750%0.49533%0.33SS..SBendtrans-110.5177.5177.1-63.2179.6-158.200112.9R107 E108 C109R107-E112 WeakPolarHBondContact O-CB 3.22Å; R107-E112 PolarHBondContact O-N 3.3Å; R107-E112 VanDerWaalsContact O-N 3.09Å; E108-E112 CarbonylContact O-C 3.5Å; E108-E112 WeakPolarHBondContact O-CB 3.24Å; C109-E112 CarbonylContact C-O 3.59Å; C109-E112 VanDerWaalsContact C-O 3.31Å
113L81.3Confident85.4Confident124 Ų12463.5 Ų63.565%0.64931%0.309SS*.  trans-101.792.5177.5175.680.3000109.8Y136 P141L113-Y136 WeakPolarHBondContact CA-OH 3.13Å; L113-Y136 WeakPolarHBondContact CD1-OH 3.33Å; L113-P141 HydrophobicContact CD1-CB 3.67Å; L113-P141 HydrophobicContact CD1-CG 3.73Å
114C86.3Confident85.9Confident6 Ų667.7 Ų67.74%0.04133%0.328CS..  trans-76.4157.7174.773.50000114E108 C109 E118 Y136E108-C114 HydrophobicContact CB-CB 4.44Å; E108-C114 VanDerWaalsContact O-CB 3.29Å; E108-C114 WeakPolarHBondContact O-CB 3.48Å; E108-C114 PolarHBondContact O-N 2.81Å; E108-C114 VanDerWaalsContact O-N 3.07Å; C109-C114 VanDerWaalsContact CA-SG 3.55Å; C109-C114 HydrophobicContact CB-CB 3.96Å; C109-C114 WeakPolarHBondContact CB-SG 3.42Å; C109-C114 WeakPolarHBondContact SG-CB 3.37Å; C109-C114 CovalentContact SG-SG 2.03Å; C109-C114 PolarHBondContact SG-SG 2.81Å; C114-E118 VanDerWaalsContact CA-OE2 3.22Å; C114-E118 WeakPolarHBondContact CA-OE2 3.26Å; C114-E118 HydrophobicContact CB-CB 4.25Å; C114-Y136 PolarHBondContact N-OH 2.89Å; C114-Y136 WeakPolarHBondContact O-CE1 3.46Å; C114-Y136 PolarHBondContact O-OH 3.4Å; C114-Y136 VanDerWaalsContact O-OH 3.08Å
115N87.6Confident86.2Confident72 Ų7266.5 Ų66.539%0.38532%0.321SS..  trans-99.7169.8171.196.768.4000111.7E117 E118 A119 W133N115-E117 PolarHBondContact O-N 2.85Å; N115-E117 WeakPolarHBondContact OD1-CA 3.36Å; N115-E117 VanDerWaalsContact OD1-CB 3.24Å; N115-E117 WeakPolarHBondContact OD1-CB 3.42Å; N115-E117 PolarHBondContact OD1-N 2.79Å; N115-E118 PolarHBondContact N-OE2 2.96Å; N115-E118 WeakPolarHBondContact ND2-CG 3.29Å; N115-E118 PolarHBondContact ND2-OE1 3.28Å; N115-E118 PolarHBondContact ND2-OE2 3.47Å; N115-E118 PolarHBondContact O-N 3.09Å; N115-A119 PolarHBondContact O-N 3.03Å; N115-W133 VanDerWaalsContact C-CZ3 3.49Å
116Y88.3Confident86.4Confident72 Ų7271.4 Ų71.428%0.28234%0.343SS..Hα-helixtrans-64.9-35.3-176-178.5-106.6000114A119 R120 T129 W133Y116-A119 PolarHBondContact O-N 3.39Å; Y116-R120 WeakPolarHBondContact O-CB 3.38Å; Y116-R120 PolarHBondContact O-N 3.36Å; Y116-T129 HydrophobicContact CD2-CG2 4.23Å; Y116-T129 HydrophobicContact CE2-CG2 3.66Å; Y116-W133 HydrophobicContact CD2-CB 3.88Å; Y116-W133 AromaticContact CD2-CD1 3.76Å; Y116-W133 AromaticContact CD2-CD2 3.58Å; Y116-W133 HydrophobicContact CD2-CD2 3.58Å; Y116-W133 AromaticContact CD2-CE2 3.97Å; Y116-W133 HydrophobicContact CD2-CE3 4.05Å; Y116-W133 AromaticContact CD2-CG 3.47Å; Y116-W133 HydrophobicContact CD2-CG 3.47Å; Y116-W133 VanDerWaalsContact CD2-CG 3.47Å; Y116-W133 HydrophobicContact CE2-CB 3.96Å; Y116-W133 HydrophobicContact CE2-CD2 4.5Å; Y116-W133 AromaticContact CE2-CG 3.95Å; Y116-W133 HydrophobicContact CE2-CG 3.95Å; Y116-W133 HydrophobicContact CG-CD2 4.34Å
117E87.5Confident86.8Confident59 Ų5974.2 Ų74.228%0.27636%0.36SS..Hα-helixtrans-66.8-42.8177.3-171.164.6-146.100110.9N115 R120 E121N115-E117 PolarHBondContact O-N 2.85Å; N115-E117 WeakPolarHBondContact OD1-CA 3.36Å; N115-E117 VanDerWaalsContact OD1-CB 3.24Å; N115-E117 WeakPolarHBondContact OD1-CB 3.42Å; N115-E117 PolarHBondContact OD1-N 2.79Å; E117-R120 WeakPolarHBondContact O-CB 3.28Å; E117-R120 PolarHBondContact O-N 2.92Å; E117-R120 VanDerWaalsContact O-N 3.14Å; E117-R120 IonicContact OE1-CZ 2.76Å; E117-R120 IonicContact OE1-NE 3.34Å; E117-R120 PolarHBondContact OE1-NE 2.91Å; E117-R120 IonicContact OE1-NH2 2.6Å; E117-R120 PolarHBondContact OE1-NH2 2.82Å; E117-R120 IonicContact OE2-CZ 2.72Å; E117-R120 VanDerWaalsContact OE2-CZ 3.24Å; E117-R120 IonicContact OE2-NE 3.24Å; E117-R120 IonicContact OE2-NH2 2.7Å; E117-R120 PolarHBondContact OE2-NH2 3.33Å; E117-E121 WeakPolarHBondContact O-CG 3.32Å; E117-E121 PolarHBondContact O-N 3.34Å
118E87.7Confident87.1Confident74 Ų7477.6 Ų77.635%0.34638%0.376SS..Hα-helixtrans-61.5-47.4174.3-72.9150.9-162.500110.7C114 N115 R120 E121 I122C114-E118 VanDerWaalsContact CA-OE2 3.22Å; C114-E118 WeakPolarHBondContact CA-OE2 3.26Å; C114-E118 HydrophobicContact CB-CB 4.25Å; N115-E118 PolarHBondContact N-OE2 2.96Å; N115-E118 WeakPolarHBondContact ND2-CG 3.29Å; N115-E118 PolarHBondContact ND2-OE1 3.28Å; N115-E118 PolarHBondContact ND2-OE2 3.47Å; N115-E118 PolarHBondContact O-N 3.09Å; E118-R120 PolarHBondContact O-N 2.98Å; E118-E121 PolarHBondContact O-N 3.17Å; E118-E121 VanDerWaalsContact O-N 3.1Å; E118-I122 WeakPolarHBondContact O-CG1 3.09Å; E118-I122 PolarHBondContact O-N 2.88Å
119A88.6Confident87.4Confident0 Ų076.1 Ų76.10%037%0.369CS..Hα-helixtrans-57.3-37.7173.700000112.3N115 Y116 I122 F123 T129 F132 W133N115-A119 PolarHBondContact O-N 3.03Å; Y116-A119 PolarHBondContact O-N 3.39Å; A119-I122 PolarHBondContact O-N 2.9Å; A119-F123 VanDerWaalsContact O-CD2 3.25Å; A119-F123 WeakPolarHBondContact O-CD2 3.2Å; A119-F123 PolarHBondContact O-N 3.05Å; A119-T129 HydrophobicContact CB-CG2 4.29Å; A119-F132 HydrophobicContact CB-CD1 4.22Å; A119-F132 HydrophobicContact CB-CE1 4.33Å; A119-W133 HydrophobicContact CB-CE3 4.46Å
120R90.8Very high87.7Confident104 Ų10479.1 Ų79.139%0.39238%0.384SS..Hα-helixtrans-68-39.7175.7-171.817571.1178.30.4112.5Y116 E117 E118 I122 V124 T129Y116-R120 WeakPolarHBondContact O-CB 3.38Å; Y116-R120 PolarHBondContact O-N 3.36Å; E117-R120 WeakPolarHBondContact O-CB 3.28Å; E117-R120 PolarHBondContact O-N 2.92Å; E117-R120 VanDerWaalsContact O-N 3.14Å; E117-R120 IonicContact OE1-CZ 2.76Å; E117-R120 IonicContact OE1-NE 3.34Å; E117-R120 PolarHBondContact OE1-NE 2.91Å; E117-R120 IonicContact OE1-NH2 2.6Å; E117-R120 PolarHBondContact OE1-NH2 2.82Å; E117-R120 IonicContact OE2-CZ 2.72Å; E117-R120 VanDerWaalsContact OE2-CZ 3.24Å; E117-R120 IonicContact OE2-NE 3.24Å; E117-R120 IonicContact OE2-NH2 2.7Å; E117-R120 PolarHBondContact OE2-NH2 3.33Å; E118-R120 PolarHBondContact O-N 2.98Å; R120-I122 VanDerWaalsContact C-N 3.31Å; R120-I122 PolarHBondContact O-N 2.94Å; R120-V124 WeakPolarHBondContact O-CA 3.45Å; R120-V124 PolarHBondContact O-N 2.89Å; R120-T129 HydrophobicContact CB-CG2 3.95Å
121E88.4Confident88.1Confident136 Ų13679.8 Ų79.864%0.63640%0.396SS*.Hα-helixtrans-64-35.8176-72.9-176.1-177.900111.7E117 E118E117-E121 WeakPolarHBondContact O-CG 3.32Å; E117-E121 PolarHBondContact O-N 3.34Å; E118-E121 PolarHBondContact O-N 3.17Å; E118-E121 VanDerWaalsContact O-N 3.1Å
122I88.6Confident88.5Confident34 Ų3474.7 Ų74.717%0.17437%0.372CS..Hα-helixtrans-71.9-50.9176.2-57157.7000112.1V105 E108 E118 A119 R120V105-I122 HydrophobicContact CG2-CB 4.5Å; V105-I122 HydrophobicContact CG2-CD1 4.5Å; V105-I122 HydrophobicContact CG2-CG2 3.5Å; E108-I122 HydrophobicContact CB-CD1 4.26Å; E108-I122 WeakPolarHBondContact OE2-CD1 3.28Å; E118-I122 WeakPolarHBondContact O-CG1 3.09Å; E118-I122 PolarHBondContact O-N 2.88Å; A119-I122 PolarHBondContact O-N 2.9Å; R120-I122 VanDerWaalsContact C-N 3.31Å; R120-I122 PolarHBondContact O-N 2.94Å
123F89Confident89.1Confident60 Ų6073.2 Ų73.226%0.26336%0.362SS..Hα-helixtrans-81.6-27.5-172.5-74.6-67.9000113.8V105 A119 D125 K128 F132V105-F123 HydrophobicContact CB-CZ 4.49Å; V105-F123 HydrophobicContact CG1-CE2 4.45Å; V105-F123 HydrophobicContact CG1-CZ 4.14Å; V105-F123 HydrophobicContact CG2-CE1 4.01Å; V105-F123 HydrophobicContact CG2-CE2 3.93Å; V105-F123 HydrophobicContact CG2-CZ 3.49Å; V105-F123 VanDerWaalsContact CG2-CZ 3.49Å; A119-F123 VanDerWaalsContact O-CD2 3.25Å; A119-F123 WeakPolarHBondContact O-CD2 3.2Å; A119-F123 PolarHBondContact O-N 3.05Å; F123-D125 PolarHBondContact O-N 3.45Å; F123-K128 HydrophobicContact CB-CB 4.35Å; F123-K128 HydrophobicContact CD1-CB 4.31Å; F123-K128 HydrophobicContact CG-CB 4.45Å; F123-F132 HydrophobicContact CD2-CB 4.31Å; F123-F132 HydrophobicContact CD2-CD1 4.47Å; F123-F132 HydrophobicContact CD2-CG 4.37Å; F123-F132 HydrophobicContact CE2-CB 3.68Å; F123-F132 AromaticContact CE2-CD1 3.67Å; F123-F132 HydrophobicContact CE2-CD1 3.67Å; F123-F132 AromaticContact CE2-CD2 3.81Å; F123-F132 HydrophobicContact CE2-CD2 3.81Å; F123-F132 HydrophobicContact CE2-CE1 4.27Å; F123-F132 HydrophobicContact CE2-CE2 4.39Å; F123-F132 AromaticContact CE2-CG 3.41Å; F123-F132 HydrophobicContact CE2-CG 3.41Å; F123-F132 VanDerWaalsContact CE2-CG 3.41Å; F123-F132 HydrophobicContact CZ-CB 4.07Å; F123-F132 HydrophobicContact CZ-CD1 4.48Å; F123-F132 AromaticContact CZ-CD2 3.79Å; F123-F132 HydrophobicContact CZ-CD2 3.79Å; F123-F132 HydrophobicContact CZ-CE2 4.39Å; F123-F132 AromaticContact CZ-CG 3.85Å; F123-F132 HydrophobicContact CZ-CG 3.85Å
124V87.3Confident89.5Confident125 Ų12573.7 Ų73.776%0.75836%0.361SS*.  trans61.3-30.9-175.7-173.60000115R120R120-V124 WeakPolarHBondContact O-CA 3.45Å; R120-V124 PolarHBondContact O-N 2.89Å
125D91.8Very high89.5Confident56 Ų5680.1 Ų80.130%0.29939%0.388SS..  trans-90.6122.6179.7-178.8-34.3000110.2F123 D127 K128 T129F123-D125 PolarHBondContact O-N 3.45Å; D125-D127 PolarHBondContact OD1-N 3.36Å; D125-D127 VanDerWaalsContact OD1-N 3.13Å; D125-K128 HydrophobicContact CB-CB 4.15Å; D125-K128 HydrophobicContact CB-CD 4Å; D125-K128 HydrophobicContact CB-CG 4.09Å; D125-K128 PolarHBondContact O-N 3.4Å; D125-K128 PolarHBondContact OD1-N 2.82Å; D125-K128 WeakPolarHBondContact OD2-CE 3.5Å; D125-K128 IonicContact OD2-NZ 2.68Å; D125-K128 PolarHBondContact OD2-NZ 2.89Å; D125-T129 WeakPolarHBondContact O-CB 3.34Å; D125-T129 PolarHBondContact O-N 2.89Å; D125-T129 PolarHBondContact O-OG1 2.98Å
126E90.6Very high89.4Confident128 Ų12877.7 Ų77.760%0.59837%0.374SS*.Hα-helixtrans-66.3-40.5-174-173.1161.8-153.500112.5K128 T129 I130E126-K128 VanDerWaalsContact C-N 3.35Å; E126-K128 PolarHBondContact O-N 3.39Å; E126-T129 PolarHBondContact O-N 3.04Å; E126-I130 HydrophobicContact CG-CD1 3.87Å; E126-I130 VanDerWaalsContact O-CG1 3.29Å; E126-I130 WeakPolarHBondContact O-CG1 3.29Å; E126-I130 PolarHBondContact O-N 2.96Å
127D91.7Very high89.2Confident132 Ų13277.6 Ų77.671%0.70638%0.384SS*.Hα-helixtrans-64.8-41.3179.6-71.5-31.7000111D125 A131D125-D127 PolarHBondContact OD1-N 3.36Å; D125-D127 VanDerWaalsContact OD1-N 3.13Å; D127-A131 WeakPolarHBondContact O-CB 3.33Å; D127-A131 PolarHBondContact O-N 2.88Å
128K90.3Very high88.8Confident117 Ų11779 Ų7951%0.50941%0.405SS..Hα-helixtrans-66.8-42175.2-65-175.4-172.3116.30111.8F123 D125 E126 A131 F132F123-K128 HydrophobicContact CB-CB 4.35Å; F123-K128 HydrophobicContact CD1-CB 4.31Å; F123-K128 HydrophobicContact CG-CB 4.45Å; D125-K128 HydrophobicContact CB-CB 4.15Å; D125-K128 HydrophobicContact CB-CD 4Å; D125-K128 HydrophobicContact CB-CG 4.09Å; D125-K128 PolarHBondContact O-N 3.4Å; D125-K128 PolarHBondContact OD1-N 2.82Å; D125-K128 WeakPolarHBondContact OD2-CE 3.5Å; D125-K128 IonicContact OD2-NZ 2.68Å; D125-K128 PolarHBondContact OD2-NZ 2.89Å; E126-K128 VanDerWaalsContact C-N 3.35Å; E126-K128 PolarHBondContact O-N 3.39Å; K128-A131 PolarHBondContact O-N 2.84Å; K128-F132 WeakPolarHBondContact O-CB 3.41Å; K128-F132 PolarHBondContact O-N 2.95Å
129T92.2Very high88Confident0 Ų082.5 Ų82.50%042%0.419CS..Hα-helixtrans-61.2-46178-53.20000110.8Y116 A119 R120 D125 E126 F132 W133Y116-T129 HydrophobicContact CD2-CG2 4.23Å; Y116-T129 HydrophobicContact CE2-CG2 3.66Å; A119-T129 HydrophobicContact CB-CG2 4.29Å; R120-T129 HydrophobicContact CB-CG2 3.95Å; D125-T129 WeakPolarHBondContact O-CB 3.34Å; D125-T129 PolarHBondContact O-N 2.89Å; D125-T129 PolarHBondContact O-OG1 2.98Å; E126-T129 PolarHBondContact O-N 3.04Å; T129-F132 PolarHBondContact O-N 3.5Å; T129-W133 WeakPolarHBondContact O-CB 3.31Å; T129-W133 PolarHBondContact O-N 3.28Å
130I91.1Very high86.8Confident64 Ų6483.7 Ų83.733%0.32843%0.431SS..Hα-helixtrans-64.3-46.4178.1-67.8165.7000110.9E126 F132 W133 Q134E126-I130 HydrophobicContact CG-CD1 3.87Å; E126-I130 VanDerWaalsContact O-CG1 3.29Å; E126-I130 WeakPolarHBondContact O-CG1 3.29Å; E126-I130 PolarHBondContact O-N 2.96Å; I130-F132 VanDerWaalsContact C-N 3.33Å; I130-F132 PolarHBondContact O-N 2.94Å; I130-W133 PolarHBondContact O-N 3.05Å; I130-Q134 HydrophobicContact CG2-CG 4.4Å; I130-Q134 WeakPolarHBondContact O-CG 3.25Å; I130-Q134 PolarHBondContact O-N 3.31Å
131A91.4Very high85.2Confident62 Ų6282.1 Ų82.151%0.51244%0.435SS..Hα-helixtrans-62.2-39.1178.900000112.6D127 K128D127-A131 WeakPolarHBondContact O-CB 3.33Å; D127-A131 PolarHBondContact O-N 2.88Å; K128-A131 PolarHBondContact O-N 2.84Å
132F90.4Very high83.7Confident37 Ų3778.6 Ų78.616%0.16242%0.423CS..Hα-helixtrans-65.8-50.8171.9176.9-97.1000111.4V105 C109 A119 F123 K128 T129 I130 Q134 K135 Y136V105-F132 HydrophobicContact CG1-CD2 4.37Å; V105-F132 HydrophobicContact CG1-CE2 3.55Å; V105-F132 HydrophobicContact CG1-CZ 3.68Å; C109-F132 HydrophobicContact CB-CE1 4.06Å; C109-F132 HydrophobicContact CB-CZ 3.65Å; A119-F132 HydrophobicContact CB-CD1 4.22Å; A119-F132 HydrophobicContact CB-CE1 4.33Å; F123-F132 HydrophobicContact CD2-CB 4.31Å; F123-F132 HydrophobicContact CD2-CD1 4.47Å; F123-F132 HydrophobicContact CD2-CG 4.37Å; F123-F132 HydrophobicContact CE2-CB 3.68Å; F123-F132 AromaticContact CE2-CD1 3.67Å; F123-F132 HydrophobicContact CE2-CD1 3.67Å; F123-F132 AromaticContact CE2-CD2 3.81Å; F123-F132 HydrophobicContact CE2-CD2 3.81Å; F123-F132 HydrophobicContact CE2-CE1 4.27Å; F123-F132 HydrophobicContact CE2-CE2 4.39Å; F123-F132 AromaticContact CE2-CG 3.41Å; F123-F132 HydrophobicContact CE2-CG 3.41Å; F123-F132 VanDerWaalsContact CE2-CG 3.41Å; F123-F132 HydrophobicContact CZ-CB 4.07Å; F123-F132 HydrophobicContact CZ-CD1 4.48Å; F123-F132 AromaticContact CZ-CD2 3.79Å; F123-F132 HydrophobicContact CZ-CD2 3.79Å; F123-F132 HydrophobicContact CZ-CE2 4.39Å; F123-F132 AromaticContact CZ-CG 3.85Å; F123-F132 HydrophobicContact CZ-CG 3.85Å; K128-F132 WeakPolarHBondContact O-CB 3.41Å; K128-F132 PolarHBondContact O-N 2.95Å; T129-F132 PolarHBondContact O-N 3.5Å; I130-F132 VanDerWaalsContact C-N 3.33Å; I130-F132 PolarHBondContact O-N 2.94Å; F132-Q134 PolarHBondContact O-N 3.46Å; F132-K135 WeakPolarHBondContact O-CB 3.43Å; F132-K135 PolarHBondContact O-N 3.43Å; F132-Y136 HydrophobicContact CE1-CG 4.15Å; F132-Y136 HydrophobicContact CZ-CD2 4.33Å; F132-Y136 HydrophobicContact CZ-CG 4.37Å; F132-Y136 WeakPolarHBondContact O-CB 3.43Å; F132-Y136 PolarHBondContact O-N 3.43Å
133W90.6Very high81.8Confident75 Ų7582.5 Ų82.528%0.28445%0.448SS..Hα-helixtrans-63.4-38.4-174.8-172.5-107.9000113.1N115 Y116 A119 T129 I130 K135 Y136 S137N115-W133 VanDerWaalsContact C-CZ3 3.49Å; Y116-W133 HydrophobicContact CD2-CB 3.88Å; Y116-W133 AromaticContact CD2-CD1 3.76Å; Y116-W133 AromaticContact CD2-CD2 3.58Å; Y116-W133 HydrophobicContact CD2-CD2 3.58Å; Y116-W133 AromaticContact CD2-CE2 3.97Å; Y116-W133 HydrophobicContact CD2-CE3 4.05Å; Y116-W133 AromaticContact CD2-CG 3.47Å; Y116-W133 HydrophobicContact CD2-CG 3.47Å; Y116-W133 VanDerWaalsContact CD2-CG 3.47Å; Y116-W133 HydrophobicContact CE2-CB 3.96Å; Y116-W133 HydrophobicContact CE2-CD2 4.5Å; Y116-W133 AromaticContact CE2-CG 3.95Å; Y116-W133 HydrophobicContact CE2-CG 3.95Å; Y116-W133 HydrophobicContact CG-CD2 4.34Å; A119-W133 HydrophobicContact CB-CE3 4.46Å; T129-W133 WeakPolarHBondContact O-CB 3.31Å; T129-W133 PolarHBondContact O-N 3.28Å; I130-W133 PolarHBondContact O-N 3.05Å; W133-K135 VanDerWaalsContact C-N 3.31Å; W133-K135 PolarHBondContact O-N 2.96Å; W133-Y136 HydrophobicContact CD2-CD1 4.45Å; W133-Y136 AromaticContact CE3-CD1 3.65Å; W133-Y136 HydrophobicContact CE3-CD1 3.65Å; W133-Y136 HydrophobicContact CE3-CE1 4.16Å; W133-Y136 HydrophobicContact CH2-CD1 4.2Å; W133-Y136 HydrophobicContact CH2-CE1 4.07Å; W133-Y136 AromaticContact CZ3-CD1 3.51Å; W133-Y136 HydrophobicContact CZ3-CD1 3.51Å; W133-Y136 AromaticContact CZ3-CE1 3.53Å; W133-Y136 HydrophobicContact CZ3-CE1 3.53Å; W133-Y136 PolarHBondContact O-N 3.29Å; W133-S137 VanDerWaalsContact O-CB 3.28Å; W133-S137 WeakPolarHBondContact O-CB 3.38Å; W133-S137 PolarHBondContact O-N 3.49Å; W133-S137 PolarHBondContact O-OG 2.88Å
134Q89.2Confident80.1Confident134 Ų13486 Ų8663%0.62646%0.464SS*.Hα-helixtrans-60.3-40.9173-74.6-176.4-0.800112I130 F132 S137 A138I130-Q134 HydrophobicContact CG2-CG 4.4Å; I130-Q134 WeakPolarHBondContact O-CG 3.25Å; I130-Q134 PolarHBondContact O-N 3.31Å; F132-Q134 PolarHBondContact O-N 3.46Å; Q134-S137 PolarHBondContact O-OG 3.41Å; Q134-A138 WeakPolarHBondContact O-CB 3.3Å; Q134-A138 PolarHBondContact O-N 2.91Å
135K87.1Confident78.3Confident141 Ų14183.6 Ų83.661%0.61345%0.452SS*.Hα-helixtrans-72.1-37178.2-173.7-176.7179.1-173.30112.4F132 W133 K139F132-K135 WeakPolarHBondContact O-CB 3.43Å; F132-K135 PolarHBondContact O-N 3.43Å; W133-K135 VanDerWaalsContact C-N 3.31Å; W133-K135 PolarHBondContact O-N 2.96Å; K135-K139 WeakPolarHBondContact O-CG 3.34Å; K135-K139 PolarHBondContact O-N 2.88Å
136Y85.4Confident76.4Confident21 Ų2186.9 Ų86.98%0.08247%0.47CS..Hα-helixtrans-73-53-180175.9-110.3000111.6C109 L113 C114 F132 W133 A138 K139 G140C109-Y136 HydrophobicContact CB-CE2 4.45Å; C109-Y136 VanDerWaalsContact O-CE2 3.24Å; C109-Y136 WeakPolarHBondContact O-CE2 3.16Å; L113-Y136 WeakPolarHBondContact CA-OH 3.13Å; L113-Y136 WeakPolarHBondContact CD1-OH 3.33Å; C114-Y136 PolarHBondContact N-OH 2.89Å; C114-Y136 WeakPolarHBondContact O-CE1 3.46Å; C114-Y136 PolarHBondContact O-OH 3.4Å; C114-Y136 VanDerWaalsContact O-OH 3.08Å; F132-Y136 HydrophobicContact CE1-CG 4.15Å; F132-Y136 HydrophobicContact CZ-CD2 4.33Å; F132-Y136 HydrophobicContact CZ-CG 4.37Å; F132-Y136 WeakPolarHBondContact O-CB 3.43Å; F132-Y136 PolarHBondContact O-N 3.43Å; W133-Y136 HydrophobicContact CD2-CD1 4.45Å; W133-Y136 AromaticContact CE3-CD1 3.65Å; W133-Y136 HydrophobicContact CE3-CD1 3.65Å; W133-Y136 HydrophobicContact CE3-CE1 4.16Å; W133-Y136 HydrophobicContact CH2-CD1 4.2Å; W133-Y136 HydrophobicContact CH2-CE1 4.07Å; W133-Y136 AromaticContact CZ3-CD1 3.51Å; W133-Y136 HydrophobicContact CZ3-CD1 3.51Å; W133-Y136 AromaticContact CZ3-CE1 3.53Å; W133-Y136 HydrophobicContact CZ3-CE1 3.53Å; W133-Y136 PolarHBondContact O-N 3.29Å; Y136-A138 VanDerWaalsContact C-N 3.28Å; Y136-A138 PolarHBondContact O-N 3.32Å; Y136-K139 PolarHBondContact O-N 2.82Å; Y136-G140 PolarHBondContact O-N 3.46Å
137S83.9Confident74.6Confident71 Ų7185.1 Ų85.150%0.49749%0.486SS..Hα-helixtrans-59.9-34.3177.258.10000113.3W133 Q134W133-S137 VanDerWaalsContact O-CB 3.28Å; W133-S137 WeakPolarHBondContact O-CB 3.38Å; W133-S137 PolarHBondContact O-N 3.49Å; W133-S137 PolarHBondContact O-OG 2.88Å; Q134-S137 PolarHBondContact O-OG 3.41Å
138A78.5Confident72.6Confident87 Ų8783.3 Ų83.372%0.71948%0.477SS*.Hα-helixtrans-73.4-23.917500000114.2Q134 Y136Q134-A138 WeakPolarHBondContact O-CB 3.3Å; Q134-A138 PolarHBondContact O-N 2.91Å; Y136-A138 VanDerWaalsContact C-N 3.28Å; Y136-A138 PolarHBondContact O-N 3.32Å
139K72.2Confident70.9Confident148 Ų14888.4 Ų88.464%0.64349%0.492SS*.Hα-helixtrans-95.3-20.6176.7-76.1-170.7171.3-1610113.7K135 Y136 T142K135-K139 WeakPolarHBondContact O-CG 3.34Å; K135-K139 PolarHBondContact O-N 2.88Å; Y136-K139 PolarHBondContact O-N 2.82Å; K139-T142 HydrophobicContact CB-CG2 3.97Å; K139-T142 HydrophobicContact CD-CG2 4.29Å
140G62.3Low69.5Low25 Ų2597.3 Ų97.326%0.25853%0.534SS..  trans67.2-179.9-165.200000112Y136 T142Y136-G140 PolarHBondContact O-N 3.46Å; G140-T142 PolarHBondContact O-N 2.88Å
141P57Low67.9Low72 Ų72101.5 Ų101.547%0.46855%0.55SS.*  trans-59.5104.616926.7-35.2000108.6L113 T143L113-P141 HydrophobicContact CD1-CB 3.67Å; L113-P141 HydrophobicContact CD1-CG 3.73Å; P141-T143 PolarHBondContact O-N 3.35Å
142T56.7Low66.6Low61 Ų61105.4 Ų105.437%0.37456%0.561SS.*  trans-74.976.8171.558.10000108.1K139 G140 K144K139-T142 HydrophobicContact CB-CG2 3.97Å; K139-T142 HydrophobicContact CD-CG2 4.29Å; G140-T142 PolarHBondContact O-N 2.88Å; T142-K144 PolarHBondContact O-N 3.23Å
143T50Low65.8Low117 Ų117108.8 Ų108.872%0.71858%0.581SS**  trans-47.1114.8147.160.10000104.9P141 S145P141-T143 PolarHBondContact O-N 3.35Å; T143-S145 PolarHBondContact O-N 2.86Å
144K51.7Low65.4Low134 Ų134110.1 Ų110.158%0.58360%0.597SS**  trans-70.171.5171.7-64.3168.3-168.2156.60105.4E106 T142 D146E106-K144 IonicContact OE1-NZ 3.16Å; E106-K144 PolarHBondContact OE1-NZ 3.38Å; T142-K144 PolarHBondContact O-N 3.23Å; K144-D146 PolarHBondContact O-N 2.88Å
145S51.3Low64.7Low74 Ų74109.6 Ų109.652%0.51760%0.596SS.*  trans-67.878.6163.3164.60000104.9T143 G147T143-S145 PolarHBondContact O-N 2.86Å; S145-G147 PolarHBondContact O-N 2.83Å
146D50.5Low64.3Low124 Ų124104.9 Ų104.966%0.66359%0.587SS**  trans-44.9132.1-179.5-69.8-42.3000109.1K144 N148K144-D146 PolarHBondContact O-N 2.88Å; D146-N148 PolarHBondContact O-N 3.43Å
147G52.2Low64.5Low92 Ų92108.8 Ų108.895%0.94861%0.609SS**SBendtrans-71.348.7-170.600000113.7S145S145-G147 PolarHBondContact O-N 2.83Å
148N51.7Low64.7Low94 Ų94109.6 Ų109.650%0.50361%0.607SS.*  trans-132.528.3-173.8-155.127.6000111.1D146 E150 K151D146-N148 PolarHBondContact O-N 3.43Å; N148-E150 PolarHBondContact O-N 2.99Å; N148-K151 VanDerWaalsContact OD1-CD 3.29Å; N148-K151 WeakPolarHBondContact OD1-CD 3.43Å; N148-K151 WeakPolarHBondContact OD1-CE 3.28Å
149R53.7Low65.2Low223 Ų223109.5 Ų109.584%0.84260%0.598SS**THydrogen-bonded Turntrans-69.79.7175.7-72.9-175.565.4100.80.1114.7
150E63.3Low66.1Low188 Ų188104.4 Ų104.488%0.87959%0.587SS**THydrogen-bonded Turntrans-134.448.9175.4-156.1179.6179.100112.5N148N148-E150 PolarHBondContact O-N 2.99Å
151K56.5Low67.6Low152 Ų152108.7 Ų108.766%0.66160%0.603SS**SBendtrans-133.5109.8153.4-59.2-179.9-167.5171.20105.6N148 D153N148-K151 VanDerWaalsContact OD1-CD 3.29Å; N148-K151 WeakPolarHBondContact OD1-CD 3.43Å; N148-K151 WeakPolarHBondContact OD1-CE 3.28Å; K151-D153 PolarHBondContact O-N 3.38Å
152I65.2Low69.4Low143 Ų143110.1 Ų110.173%0.73361%0.606SS**  trans-56.1115.8166.9-66.5168.8000104.8V154I152-V154 VanDerWaalsContact C-N 3.31Å; I152-V154 WeakPolarHBondContact O-CG2 3.35Å; I152-V154 PolarHBondContact O-N 2.84Å
153D72.4Confident71Confident109 Ų109110 Ų11058%0.58361%0.611SS**  trans-69.595.5-173.6-165.8-13.7000108.3K151 M155 G156 L157K151-D153 PolarHBondContact O-N 3.38Å; D153-M155 PolarHBondContact O-N 3.15Å; D153-M155 WeakPolarHBondContact OD1-CB 3.43Å; D153-M155 PolarHBondContact OD1-N 3.13Å; D153-G156 CarbonylContact O-C 3.31Å; D153-G156 WeakPolarHBondContact O-CA 3.37Å; D153-G156 PolarHBondContact O-N 3.08Å; D153-L157 PolarHBondContact O-N 3.39Å
154V83.4Confident73Confident103 Ų103106.8 Ų106.862%0.62460%0.597SS**Hα-helixtrans-60-30.5-174.5-1780000109.8I152 L158I152-V154 VanDerWaalsContact C-N 3.31Å; I152-V154 WeakPolarHBondContact O-CG2 3.35Å; I152-V154 PolarHBondContact O-N 2.84Å; V154-L158 WeakPolarHBondContact O-CB 3.32Å; V154-L158 PolarHBondContact O-N 3.31Å
155M74.9Confident75Confident122 Ų122102.1 Ų102.160%0.60159%0.586SS**Hα-helixtrans-68.6-40.8173-63.2-55.1-5800111.7D153 T159D153-M155 PolarHBondContact O-N 3.15Å; D153-M155 WeakPolarHBondContact OD1-CB 3.43Å; D153-M155 PolarHBondContact OD1-N 3.13Å; M155-T159 VanDerWaalsContact O-CB 3.25Å; M155-T159 WeakPolarHBondContact O-CB 3.09Å; M155-T159 PolarHBondContact O-N 2.67Å; M155-T159 PolarHBondContact O-OG1 3.17Å
156G78.6Confident77.1Confident42 Ų42102.4 Ų102.443%0.43359%0.585SS.*Hα-helixtrans-62.7-44.3172.500000112.9D153 G160D153-G156 CarbonylContact O-C 3.31Å; D153-G156 WeakPolarHBondContact O-CA 3.37Å; D153-G156 PolarHBondContact O-N 3.08Å; G156-G160 PolarHBondContact O-N 3.37Å
157L88Confident79.1Confident103 Ų103101.4 Ų101.454%0.53958%0.575SS.*Hα-helixtrans-66.7-44.1177-176.366.6000112D153 G160 L161D153-L157 PolarHBondContact O-N 3.39Å; L157-G160 PolarHBondContact O-N 3.34Å; L157-L161 HydrophobicContact CG-CD1 4.29Å; L157-L161 WeakPolarHBondContact O-CG 3.35Å; L157-L161 PolarHBondContact O-N 3.27Å
158L89Confident81.2Confident89 Ų89103.1 Ų103.147%0.46656%0.562SS.*Hα-helixtrans-60.8-46.8176.418063.6000111.1V154 L161 I162V154-L158 WeakPolarHBondContact O-CB 3.32Å; V154-L158 PolarHBondContact O-N 3.31Å; L158-L161 PolarHBondContact O-N 3.16Å; L158-I162 HydrophobicContact CD1-CD1 4.12Å; L158-I162 HydrophobicContact CG-CD1 4.02Å; L158-I162 VanDerWaalsContact O-CG1 3.29Å; L158-I162 WeakPolarHBondContact O-CG1 3.45Å; L158-I162 PolarHBondContact O-N 3.37Å
159T89.5Confident83.3Confident85 Ų85102.9 Ų102.952%0.52156%0.563SS.*Hα-helixtrans-62.8-42.9176.9-55.60000111.2M155 I162 A163M155-T159 VanDerWaalsContact O-CB 3.25Å; M155-T159 WeakPolarHBondContact O-CB 3.09Å; M155-T159 PolarHBondContact O-N 2.67Å; M155-T159 PolarHBondContact O-OG1 3.17Å; T159-I162 PolarHBondContact O-N 2.93Å; T159-A163 VanDerWaalsContact O-CB 3.32Å; T159-A163 WeakPolarHBondContact O-CB 3.24Å; T159-A163 PolarHBondContact O-N 3.2Å
160G89.8Confident85.1Confident40 Ų4096.4 Ų96.441%0.41255%0.545SS..Hα-helixtrans-61.9-41.7176.300000113.5G156 L157 A164G156-G160 PolarHBondContact O-N 3.37Å; L157-G160 PolarHBondContact O-N 3.34Å; G160-A164 VanDerWaalsContact O-CB 3.28Å; G160-A164 WeakPolarHBondContact O-CB 3.25Å; G160-A164 PolarHBondContact O-N 2.94Å
161L94Very high86.3Confident115 Ų11591.9 Ų91.960%0.60252%0.522SS*.Hα-helixtrans-67.3-41.5176.6-73.2172.8000112.3L157 L158 G165L157-L161 HydrophobicContact CG-CD1 4.29Å; L157-L161 WeakPolarHBondContact O-CG 3.35Å; L157-L161 PolarHBondContact O-N 3.27Å; L158-L161 PolarHBondContact O-N 3.16Å; L161-G165 PolarHBondContact O-N 3.42Å
162I94.3Very high87.9Confident102 Ų10286.9 Ų86.952%0.52351%0.513SS..Hα-helixtrans-63.4-47.8175.5-67165.1000110.1L158 T159 A164 G165 V166L158-I162 HydrophobicContact CD1-CD1 4.12Å; L158-I162 HydrophobicContact CG-CD1 4.02Å; L158-I162 VanDerWaalsContact O-CG1 3.29Å; L158-I162 WeakPolarHBondContact O-CG1 3.45Å; L158-I162 PolarHBondContact O-N 3.37Å; T159-I162 PolarHBondContact O-N 2.93Å; I162-A164 PolarHBondContact O-N 2.8Å; I162-G165 PolarHBondContact O-N 2.86Å; I162-V166 WeakPolarHBondContact O-CG2 3.49Å; I162-V166 PolarHBondContact O-N 3.47Å
163A91.3Very high89.3Confident58 Ų5884.2 Ų84.248%0.47950%0.5SS..Hα-helixtrans-60.4-45178.100000112.1T159 G165 V166 F167T159-A163 VanDerWaalsContact O-CB 3.32Å; T159-A163 WeakPolarHBondContact O-CB 3.24Å; T159-A163 PolarHBondContact O-N 3.2Å; A163-G165 PolarHBondContact O-N 3.16Å; A163-V166 PolarHBondContact O-N 3.34Å; A163-F167 VanDerWaalsContact O-CB 3.3Å; A163-F167 WeakPolarHBondContact O-CB 3.24Å; A163-F167 PolarHBondContact O-N 3.34Å
164A92.1Very high90.1Very high51 Ų5183.2 Ų83.242%0.42149%0.494SS..Hα-helixtrans-63.1-41176.600000112.4G160 I162 F167 L168G160-A164 VanDerWaalsContact O-CB 3.28Å; G160-A164 WeakPolarHBondContact O-CB 3.25Å; G160-A164 PolarHBondContact O-N 2.94Å; I162-A164 PolarHBondContact O-N 2.8Å; A164-F167 PolarHBondContact O-N 2.93Å; A164-L168 WeakPolarHBondContact O-CG 3.38Å; A164-L168 PolarHBondContact O-N 2.8Å
165G93.8Very high90.4Very high35 Ų3579.8 Ų79.836%0.36148%0.48SS..Hα-helixtrans-62.4-47.9175.600000112.6L161 I162 A163 F167 L168 V169L161-G165 PolarHBondContact O-N 3.42Å; I162-G165 PolarHBondContact O-N 2.86Å; A163-G165 PolarHBondContact O-N 3.16Å; G165-F167 VanDerWaalsContact C-N 3.33Å; G165-F167 PolarHBondContact O-N 3.44Å; G165-L168 PolarHBondContact O-N 2.81Å; G165-V169 WeakPolarHBondContact O-CG2 3.27Å; G165-V169 PolarHBondContact O-N 2.81Å
166V95Very high91.1Very high81 Ų8180.9 Ų80.949%0.49148%0.478SS..Hα-helixtrans-61.3-42.4176.11720000111I162 A163 V169 I170I162-V166 WeakPolarHBondContact O-CG2 3.49Å; I162-V166 PolarHBondContact O-N 3.47Å; A163-V166 PolarHBondContact O-N 3.34Å; V166-V169 PolarHBondContact O-N 3.14Å; V166-I170 HydrophobicContact CG1-CD1 3.7Å; V166-I170 HydrophobicContact CG1-CG1 4.39Å; V166-I170 VanDerWaalsContact O-CG1 3.31Å; V166-I170 WeakPolarHBondContact O-CG1 3.22Å; V166-I170 PolarHBondContact O-N 3.14Å
167F93.4Very high91.4Very high103 Ų10385.8 Ų85.845%0.45249%0.485SS..Hα-helixtrans-59.8-47.7175.9-166.9-92.6000111.7A163 A164 G165 V169 I170 F171A163-F167 VanDerWaalsContact O-CB 3.3Å; A163-F167 WeakPolarHBondContact O-CB 3.24Å; A163-F167 PolarHBondContact O-N 3.34Å; A164-F167 PolarHBondContact O-N 2.93Å; G165-F167 VanDerWaalsContact C-N 3.33Å; G165-F167 PolarHBondContact O-N 3.44Å; F167-V169 VanDerWaalsContact C-N 3.32Å; F167-V169 PolarHBondContact O-N 2.82Å; F167-I170 PolarHBondContact O-N 3.44Å; F167-F171 AromaticContact CD1-CD2 3.7Å; F167-F171 HydrophobicContact CD1-CD2 3.7Å; F167-F171 AromaticContact CD1-CE2 3.89Å; F167-F171 HydrophobicContact CD1-CE2 3.89Å; F167-F171 HydrophobicContact CD1-CG 4.43Å; F167-F171 HydrophobicContact CD2-CD2 4.22Å; F167-F171 AromaticContact CD2-CE2 3.85Å; F167-F171 HydrophobicContact CD2-CE2 3.85Å; F167-F171 AromaticContact CE1-CD2 3.59Å; F167-F171 HydrophobicContact CE1-CD2 3.59Å; F167-F171 HydrophobicContact CE1-CE1 4.45Å; F167-F171 AromaticContact CE1-CE2 3.41Å; F167-F171 HydrophobicContact CE1-CE2 3.41Å; F167-F171 VanDerWaalsContact CE1-CE2 3.41Å; F167-F171 HydrophobicContact CE1-CG 4.21Å; F167-F171 AromaticContact CE1-CZ 3.87Å; F167-F171 HydrophobicContact CE1-CZ 3.87Å; F167-F171 HydrophobicContact CE2-CD2 4.14Å; F167-F171 AromaticContact CE2-CE2 3.38Å; F167-F171 HydrophobicContact CE2-CE2 3.38Å; F167-F171 HydrophobicContact CE2-CZ 4.04Å; F167-F171 HydrophobicContact CG-CD2 4.03Å; F167-F171 HydrophobicContact CG-CE2 4.11Å; F167-F171 AromaticContact CZ-CD2 3.84Å; F167-F171 HydrophobicContact CZ-CD2 3.84Å; F167-F171 HydrophobicContact CZ-CE1 4.4Å; F167-F171 AromaticContact CZ-CE2 3.14Å; F167-F171 HydrophobicContact CZ-CE2 3.14Å; F167-F171 AromaticContact CZ-CZ 3.47Å; F167-F171 HydrophobicContact CZ-CZ 3.47Å; F167-F171 VanDerWaalsContact CZ-CZ 3.47Å; F167-F171 WeakPolarHBondContact O-CD2 3.43Å; F167-F171 PolarHBondContact O-N 3.3Å
168L94.9Very high91.2Very high128 Ų12885.4 Ų85.467%0.6748%0.483SS*.Hα-helixtrans-61-38176.8-73174000112.9A164 G165 G172A164-L168 WeakPolarHBondContact O-CG 3.38Å; A164-L168 PolarHBondContact O-N 2.8Å; G165-L168 PolarHBondContact O-N 2.81Å; L168-G172 PolarHBondContact O-N 3.2Å
169V95.6Very high90.8Very high89 Ų8984.8 Ų84.854%0.53949%0.485SS..Hα-helixtrans-66.1-45.3174.8172.90000111.2G165 V166 F167 G172 L173G165-V169 WeakPolarHBondContact O-CG2 3.27Å; G165-V169 PolarHBondContact O-N 2.81Å; V166-V169 PolarHBondContact O-N 3.14Å; F167-V169 VanDerWaalsContact C-N 3.32Å; F167-V169 PolarHBondContact O-N 2.82Å; V169-G172 PolarHBondContact O-N 3.47Å; V169-L173 HydrophobicContact CG1-CD1 4.01Å; V169-L173 HydrophobicContact CG1-CG 4.45Å; V169-L173 WeakPolarHBondContact O-CB 3.27Å; V169-L173 WeakPolarHBondContact O-CG 3.19Å; V169-L173 PolarHBondContact O-N 3.42Å
170I91.6Very high90.4Very high87 Ų8784.3 Ų84.345%0.44648%0.479SS..Hα-helixtrans-62.8-44.9178.1-67.9166.9000110.9V166 F167 L173 L174V166-I170 HydrophobicContact CG1-CD1 3.7Å; V166-I170 HydrophobicContact CG1-CG1 4.39Å; V166-I170 VanDerWaalsContact O-CG1 3.31Å; V166-I170 WeakPolarHBondContact O-CG1 3.22Å; V166-I170 PolarHBondContact O-N 3.14Å; F167-I170 PolarHBondContact O-N 3.44Å; I170-L173 PolarHBondContact O-N 3.28Å; I170-L174 VanDerWaalsContact O-CB 3.24Å; I170-L174 WeakPolarHBondContact O-CB 3.46Å; I170-L174 PolarHBondContact O-N 3.22Å
171F89Confident89.5Confident93 Ų9386.1 Ų86.141%0.40848%0.482SS..Hα-helixtrans-69.4-34.7177.7-86-103.2000112.6F167 G175F167-F171 AromaticContact CD1-CD2 3.7Å; F167-F171 HydrophobicContact CD1-CD2 3.7Å; F167-F171 AromaticContact CD1-CE2 3.89Å; F167-F171 HydrophobicContact CD1-CE2 3.89Å; F167-F171 HydrophobicContact CD1-CG 4.43Å; F167-F171 HydrophobicContact CD2-CD2 4.22Å; F167-F171 AromaticContact CD2-CE2 3.85Å; F167-F171 HydrophobicContact CD2-CE2 3.85Å; F167-F171 AromaticContact CE1-CD2 3.59Å; F167-F171 HydrophobicContact CE1-CD2 3.59Å; F167-F171 HydrophobicContact CE1-CE1 4.45Å; F167-F171 AromaticContact CE1-CE2 3.41Å; F167-F171 HydrophobicContact CE1-CE2 3.41Å; F167-F171 VanDerWaalsContact CE1-CE2 3.41Å; F167-F171 HydrophobicContact CE1-CG 4.21Å; F167-F171 AromaticContact CE1-CZ 3.87Å; F167-F171 HydrophobicContact CE1-CZ 3.87Å; F167-F171 HydrophobicContact CE2-CD2 4.14Å; F167-F171 AromaticContact CE2-CE2 3.38Å; F167-F171 HydrophobicContact CE2-CE2 3.38Å; F167-F171 HydrophobicContact CE2-CZ 4.04Å; F167-F171 HydrophobicContact CG-CD2 4.03Å; F167-F171 HydrophobicContact CG-CE2 4.11Å; F167-F171 AromaticContact CZ-CD2 3.84Å; F167-F171 HydrophobicContact CZ-CD2 3.84Å; F167-F171 HydrophobicContact CZ-CE1 4.4Å; F167-F171 AromaticContact CZ-CE2 3.14Å; F167-F171 HydrophobicContact CZ-CE2 3.14Å; F167-F171 AromaticContact CZ-CZ 3.47Å; F167-F171 HydrophobicContact CZ-CZ 3.47Å; F167-F171 VanDerWaalsContact CZ-CZ 3.47Å; F167-F171 WeakPolarHBondContact O-CD2 3.43Å; F167-F171 PolarHBondContact O-N 3.3Å; F171-G175 PolarHBondContact O-N 2.86Å
172G90.3Very high88.3Confident46 Ų4688 Ų8847%0.47449%0.485SS..Hα-helixtrans-64.5-46.5172.600000112.3L168 V169 G175 Y176L168-G172 PolarHBondContact O-N 3.2Å; V169-G172 PolarHBondContact O-N 3.47Å; G172-G175 PolarHBondContact O-N 2.77Å; G172-Y176 VanDerWaalsContact O-CB 3.27Å; G172-Y176 WeakPolarHBondContact O-CB 3.25Å; G172-Y176 PolarHBondContact O-N 3.35Å
173L93.4Very high86.7Confident87 Ų8786.5 Ų86.546%0.45548%0.483SS..Hα-helixtrans-64.3-47.7174.7-72.4173.7000111.5V169 I170 G175 Y176 Y177V169-L173 HydrophobicContact CG1-CD1 4.01Å; V169-L173 HydrophobicContact CG1-CG 4.45Å; V169-L173 WeakPolarHBondContact O-CB 3.27Å; V169-L173 WeakPolarHBondContact O-CG 3.19Å; V169-L173 PolarHBondContact O-N 3.42Å; I170-L173 PolarHBondContact O-N 3.28Å; L173-G175 VanDerWaalsContact C-N 3.33Å; L173-G175 PolarHBondContact O-N 2.77Å; L173-Y176 WeakPolarHBondContact O-CB 3.16Å; L173-Y176 PolarHBondContact O-N 3.38Å; L173-Y176 VanDerWaalsContact O-N 3.16Å; L173-Y177 HydrophobicContact CB-CD2 4.43Å; L173-Y177 HydrophobicContact CB-CE2 4.39Å; L173-Y177 WeakPolarHBondContact O-CD2 3.22Å; L173-Y177 PolarHBondContact O-N 2.86Å
174L90.3Very high85.2Confident88 Ų8889.3 Ų89.346%0.46149%0.49SS..Hα-helixtrans-61.2-42.7177.3-177.661.4000111.2I170 Y177 L178I170-L174 VanDerWaalsContact O-CB 3.24Å; I170-L174 WeakPolarHBondContact O-CB 3.46Å; I170-L174 PolarHBondContact O-N 3.22Å; L174-Y177 PolarHBondContact O-N 3.29Å; L174-L178 HydrophobicContact CD1-CD1 4.25Å; L174-L178 HydrophobicContact CD1-CG 4.26Å; L174-L178 HydrophobicContact CG-CD1 4.01Å; L174-L178 HydrophobicContact CG-CG 4.43Å; L174-L178 VanDerWaalsContact O-CB 3.25Å; L174-L178 WeakPolarHBondContact O-CB 3.27Å; L174-L178 WeakPolarHBondContact O-CG 3.33Å; L174-L178 PolarHBondContact O-N 3.39Å
175G89.3Confident83.3Confident31 Ų3197.1 Ų97.132%0.3251%0.509SS..Hα-helixtrans-60-43.3172.700000112.5F171 G172 L173 L178 C179F171-G175 PolarHBondContact O-N 2.86Å; G172-G175 PolarHBondContact O-N 2.77Å; L173-G175 VanDerWaalsContact C-N 3.33Å; L173-G175 PolarHBondContact O-N 2.77Å; G175-L178 PolarHBondContact O-N 2.82Å; G175-C179 VanDerWaalsContact O-CB 3.32Å; G175-C179 WeakPolarHBondContact O-CB 3.31Å; G175-C179 PolarHBondContact O-N 2.75Å; G175-C179 PolarHBondContact O-SG 3.27Å
176Y90.7Very high81.2Confident145 Ų145101.9 Ų101.957%0.56953%0.525SS*.Hα-helixtrans-64.8-45.2175.7174.4-107.3000112.7G172 L173 C179 I180G172-Y176 VanDerWaalsContact O-CB 3.27Å; G172-Y176 WeakPolarHBondContact O-CB 3.25Å; G172-Y176 PolarHBondContact O-N 3.35Å; L173-Y176 WeakPolarHBondContact O-CB 3.16Å; L173-Y176 PolarHBondContact O-N 3.38Å; L173-Y176 VanDerWaalsContact O-N 3.16Å; Y176-C179 WeakPolarHBondContact O-CB 3.2Å; Y176-C179 PolarHBondContact O-N 3.14Å; Y176-I180 HydrophobicContact CD1-CD1 4.02Å; Y176-I180 HydrophobicContact CD2-CD1 4.32Å; Y176-I180 HydrophobicContact CE1-CD1 3.47Å; Y176-I180 VanDerWaalsContact CE1-CD1 3.47Å; Y176-I180 HydrophobicContact CE2-CD1 3.8Å; Y176-I180 HydrophobicContact CE2-CG1 4.4Å; Y176-I180 HydrophobicContact CG-CD1 4.43Å; Y176-I180 PolarHBondContact O-N 3.43Å
177Y83.4Confident78.7Confident145 Ų145105 Ų10557%0.56953%0.534SS*.Hα-helixtrans-64.4-39173.6-77.3-65.3000112L173 L174 I180 T181L173-Y177 HydrophobicContact CB-CD2 4.43Å; L173-Y177 HydrophobicContact CB-CE2 4.39Å; L173-Y177 WeakPolarHBondContact O-CD2 3.22Å; L173-Y177 PolarHBondContact O-N 2.86Å; L174-Y177 PolarHBondContact O-N 3.29Å; Y177-I180 PolarHBondContact O-N 2.93Å; Y177-T181 WeakPolarHBondContact O-CB 3.43Å; Y177-T181 VanDerWaalsContact O-CG2 3.31Å; Y177-T181 WeakPolarHBondContact O-CG2 3.5Å; Y177-T181 PolarHBondContact O-N 2.97Å; Y177-T181 PolarHBondContact O-OG1 2.83Å
178L85.1Confident76.6Confident96 Ų96108.6 Ų108.650%0.50355%0.552SS.*Hα-helixtrans-67.9-36.8173.9-73174.2000111.9L174 G175 T181 K182L174-L178 HydrophobicContact CD1-CD1 4.25Å; L174-L178 HydrophobicContact CD1-CG 4.26Å; L174-L178 HydrophobicContact CG-CD1 4.01Å; L174-L178 HydrophobicContact CG-CG 4.43Å; L174-L178 VanDerWaalsContact O-CB 3.25Å; L174-L178 WeakPolarHBondContact O-CB 3.27Å; L174-L178 WeakPolarHBondContact O-CG 3.33Å; L174-L178 PolarHBondContact O-N 3.39Å; G175-L178 PolarHBondContact O-N 2.82Å; L178-T181 WeakPolarHBondContact CA-OG1 3.39Å; L178-T181 PolarHBondContact O-OG1 3.24Å; L178-K182 WeakPolarHBondContact O-CB 3.47Å; L178-K182 WeakPolarHBondContact O-CG 3.32Å; L178-K182 PolarHBondContact O-N 3.1Å
179C79.7Confident74Confident76 Ų76106.7 Ų106.751%0.51455%0.547SS..Hα-helixtrans-63.2-51.5170.7-84.60000111G175 Y176 T181 K182 C183G175-C179 VanDerWaalsContact O-CB 3.32Å; G175-C179 WeakPolarHBondContact O-CB 3.31Å; G175-C179 PolarHBondContact O-N 2.75Å; G175-C179 PolarHBondContact O-SG 3.27Å; Y176-C179 WeakPolarHBondContact O-CB 3.2Å; Y176-C179 PolarHBondContact O-N 3.14Å; C179-T181 PolarHBondContact O-N 3.29Å; C179-K182 PolarHBondContact O-N 3.31Å; C179-C183 VanDerWaalsContact O-CB 3.22Å; C179-C183 WeakPolarHBondContact O-CB 3.4Å; C179-C183 PolarHBondContact O-N 3.34Å; C179-C183 PolarHBondContact O-SG 3.15Å
180I80.8Confident71.4Confident75 Ų75111.2 Ų111.239%0.38556%0.562SS.*Hα-helixtrans-57.9-48.4177-75.5173.8000110.9Y176 Y177 C183 N184Y176-I180 HydrophobicContact CD1-CD1 4.02Å; Y176-I180 HydrophobicContact CD2-CD1 4.32Å; Y176-I180 HydrophobicContact CE1-CD1 3.47Å; Y176-I180 VanDerWaalsContact CE1-CD1 3.47Å; Y176-I180 HydrophobicContact CE2-CD1 3.8Å; Y176-I180 HydrophobicContact CE2-CG1 4.4Å; Y176-I180 HydrophobicContact CG-CD1 4.43Å; Y176-I180 PolarHBondContact O-N 3.43Å; Y177-I180 PolarHBondContact O-N 2.93Å; I180-C183 PolarHBondContact O-N 3.24Å; I180-N184 WeakPolarHBondContact O-CB 3.38Å; I180-N184 PolarHBondContact O-N 2.93Å
181T72Confident69.1Low77 Ų77111.6 Ų111.647%0.47257%0.572SS.*Hα-helixtrans-70.2-33.3-178.253.40000113Y177 L178 C179 R185Y177-T181 WeakPolarHBondContact O-CB 3.43Å; Y177-T181 VanDerWaalsContact O-CG2 3.31Å; Y177-T181 WeakPolarHBondContact O-CG2 3.5Å; Y177-T181 PolarHBondContact O-N 2.97Å; Y177-T181 PolarHBondContact O-OG1 2.83Å; L178-T181 WeakPolarHBondContact CA-OG1 3.39Å; L178-T181 PolarHBondContact O-OG1 3.24Å; C179-T181 PolarHBondContact O-N 3.29Å; T181-R185 WeakPolarHBondContact O-CG 3.17Å; T181-R185 PolarHBondContact O-N 3.39Å; T181-R185 VanDerWaalsContact O-N 3.1Å
182K67.4Low67Low154 Ų154113 Ų11367%0.6759%0.594SS**Hα-helixtrans-68.8-45.6169.6-87-94.1179.265.50112L178 C179 R185 L186L178-K182 WeakPolarHBondContact O-CB 3.47Å; L178-K182 WeakPolarHBondContact O-CG 3.32Å; L178-K182 PolarHBondContact O-N 3.1Å; C179-K182 PolarHBondContact O-N 3.31Å; K182-R185 CarbonylContact O-C 3.57Å; K182-R185 PolarHBondContact O-N 3.22Å; K182-L186 WeakPolarHBondContact O-CB 3.37Å; K182-L186 PolarHBondContact O-N 3.42Å
183C60.7Low64.7Low71 Ų71115 Ų11548%0.4861%0.606SS.*Hα-helixtrans-63.3-43.2178.2-720000111.1C179 I180 R185 L186 Q187C179-C183 VanDerWaalsContact O-CB 3.22Å; C179-C183 WeakPolarHBondContact O-CB 3.4Å; C179-C183 PolarHBondContact O-N 3.34Å; C179-C183 PolarHBondContact O-SG 3.15Å; I180-C183 PolarHBondContact O-N 3.24Å; C183-R185 VanDerWaalsContact C-N 3.3Å; C183-R185 PolarHBondContact O-N 3.36Å; C183-L186 CarbonylContact O-C 3.2Å; C183-L186 VanDerWaalsContact O-C 3.32Å; C183-L186 WeakPolarHBondContact O-CA 3.43Å; C183-L186 PolarHBondContact O-N 3.32Å; C183-Q187 PolarHBondContact O-N 3.18Å; C183-Q187 PolarHBondContact O-OE1 3.44Å
184N60.8Low62.6Low118 Ų118116.9 Ų116.963%0.63162%0.621SS**Hα-helixtrans-67.6-28.6176.6-152.925.1000112.3I180I180-N184 WeakPolarHBondContact O-CB 3.38Å; I180-N184 PolarHBondContact O-N 2.93Å
185R53Low60.1Low215 Ų215123.9 Ų123.981%0.81164%0.643SS**Hα-helixtrans-71.5-35.4165.3-79.8-171.2180-146.82.8112.9T181 K182 C183 Q187 H188T181-R185 WeakPolarHBondContact O-CG 3.17Å; T181-R185 PolarHBondContact O-N 3.39Å; T181-R185 VanDerWaalsContact O-N 3.1Å; K182-R185 CarbonylContact O-C 3.57Å; K182-R185 PolarHBondContact O-N 3.22Å; C183-R185 VanDerWaalsContact C-N 3.3Å; C183-R185 PolarHBondContact O-N 3.36Å; R185-Q187 PolarHBondContact O-N 3.38Å; R185-H188 PolarHBondContact O-N 3.2Å
186L49.8Very low57.8Low134 Ų134128.8 Ų128.870%0.70266%0.657SS**THydrogen-bonded Turntrans-81.72.2179-153.672.2000113.3K182 C183 H188 P189K182-L186 WeakPolarHBondContact O-CB 3.37Å; K182-L186 PolarHBondContact O-N 3.42Å; C183-L186 CarbonylContact O-C 3.2Å; C183-L186 VanDerWaalsContact O-C 3.32Å; C183-L186 WeakPolarHBondContact O-CA 3.43Å; C183-L186 PolarHBondContact O-N 3.32Å; L186-H188 VanDerWaalsContact C-N 3.29Å; L186-P189 WeakPolarHBondContact O-CD 3.2Å; L186-P189 WeakPolarHBondContact O-CG 3.46Å
187Q42Very low55.1Low146 Ų146131.7 Ų131.768%0.68267%0.667SS**THydrogen-bonded Turntrans-78.4-12.5165.5-12688.428.700112.4C183 R185C183-Q187 PolarHBondContact O-N 3.18Å; C183-Q187 PolarHBondContact O-OE1 3.44Å; R185-Q187 PolarHBondContact O-N 3.38Å
188H49.9Very low52.8Low179 Ų179128 Ų12883%0.82967%0.674SS**  trans-107.273.5169.7-91.9-66.4000114.3R185 L186R185-H188 PolarHBondContact O-N 3.2Å; L186-H188 VanDerWaalsContact C-N 3.29Å
189P39.9Very low50.6Low89 Ų89134.3 Ų134.358%0.57869%0.691SS**  trans-122.1105.7150.924.5-4.6000108.5L186 S191L186-P189 WeakPolarHBondContact O-CD 3.2Å; L186-P189 WeakPolarHBondContact O-CG 3.46Å; P189-S191 PolarHBondContact O-N 3.07Å
190H40.4Very low48.6Very low184 Ų184138.4 Ų138.485%0.85270%0.702SS**  trans-67.8104.7177-169.4-88.2000109.8
191S42.4Very low46.7Very low94 Ų94140.1 Ų140.166%0.65772%0.717SS**  trans22.6110.4162.8-171.50000117.6P189P189-S191 PolarHBondContact O-N 3.07Å
192S46.8Very low44.9Very low122 Ų122142.9 Ų142.985%0.85374%0.735SS**  trans-133.170.4164.5-66.90000110.1
193A40.4Very low43.7Very low90 Ų90140.2 Ų140.274%0.74474%0.737SS**  trans-91.7114.8174.400000110.5
194V50.9Low43.2Very low125 Ų125144.2 Ų144.276%0.75875%0.751SS**  trans-134.489.6174.5-179.90000110.5
195Y36.9Very low42.2Very low236 Ų236145.6 Ų145.693%0.92576%0.757SS**  trans-163.7135.3153-66.8-68.7000105.3
196E41.1Very low41.4Very low133 Ų133146 Ų14662%0.62177%0.765SS**  cis-156.1158.7-3-150.1-155.8-18000110.1
197R33.6Very low40.8Very low206 Ų206149.7 Ų149.778%0.77777%0.77SS**  trans56.5112.4145.8-173173.7-70.1134.54.7120.4
198G34.9Very low40.5Very low69 Ų69151.2 Ų151.271%0.71177%0.769SS**  trans152.991.6141.800000119.6
199R38.8Very low39.7Very low228 Ų228151.7 Ų151.786%0.8677%0.772SS**  trans40.5127.9146.1-74.4-174.4-177-179.73.5121.8
200H37.3Very low39.5Very low161 Ų161152.4 Ų152.475%0.74577%0.767SS**  trans98.2107.6145.5-61.9-3.7000119.3
201T40.7Very low39.2Very low112 Ų112151.8 Ų151.869%0.68777%0.765SS**  56.3109.3129.9-35.30000119.3S203T201-S203 PolarHBondContact O-N 3.43Å; T201-S203 VanDerWaalsContact O-N 3.11Å
202P36.2Very low38.7Very low134 Ų134151.9 Ų151.987%0.8777%0.771SS**  trans-81.588.4168.533.8-31.8000110.6I204P202-I204 PolarHBondContact O-N 2.99Å
203S40.8Very low37.9Very low99 Ų99151 Ų15169%0.69277%0.772SS**  trans-85.1105.2164.858.50000110.4T201T201-S203 PolarHBondContact O-N 3.43Å; T201-S203 VanDerWaalsContact O-N 3.11Å
204I50.9Low37.6Very low154 Ų154154.6 Ų154.679%0.7978%0.777SS**  trans2.3120.514235.8168.9000116.3P202P202-I204 PolarHBondContact O-N 2.99Å
205I38.8Very low36.8Very low147 Ų147153.8 Ų153.875%0.75478%0.777SS**  -176.2104.7129.7-88145.7000107.1R207I205-R207 HydrophobicContact CG2-CB 3.91Å
206F35.8Very low36.8Very low224 Ų224148.9 Ų148.998%0.98277%0.774SS**  trans-85.1107.4160-109.7-87.4000107.3
207R37.3Very low36.3Very low211 Ų211150.3 Ų150.380%0.79679%0.785SS**  trans-104.2104.1178.1-161.8179.4-165.1137.91.4110.3I205I205-R207 HydrophobicContact CG2-CB 3.91Å
208R36.2Very low37.1Very low178 Ų178145.5 Ų145.567%0.67278%0.781SS**  trans58.8118.2145-164.6-174.8-137.487.60.6118.1E210R208-E210 HydrophobicContact CG-CG 4.33Å; R208-E210 IonicContact CZ-OE1 3.09Å; R208-E210 VanDerWaalsContact NE-CD 3.31Å; R208-E210 IonicContact NE-OE1 2.74Å; R208-E210 PolarHBondContact NE-OE1 3.35Å; R208-E210 IonicContact NE-OE2 3.72Å; R208-E210 IonicContact NH2-OE1 2.65Å; R208-E210 PolarHBondContact NH2-OE1 3.16Å
209H32.5Very low37.7Very low190 Ų190147.8 Ų147.888%0.8878%0.783SS**  -131.1132.5125.5-156-75.8000109.3
210E36.8Very low37.2Very low103 Ų103142.5 Ų142.548%0.48178%0.781SS.*  trans-71.3162.3173.4-83.1157174.100110.4R208R208-E210 HydrophobicContact CG-CG 4.33Å; R208-E210 IonicContact CZ-OE1 3.09Å; R208-E210 VanDerWaalsContact NE-CD 3.31Å; R208-E210 IonicContact NE-OE1 2.74Å; R208-E210 PolarHBondContact NE-OE1 3.35Å; R208-E210 IonicContact NE-OE2 3.72Å; R208-E210 IonicContact NH2-OE1 2.65Å; R208-E210 PolarHBondContact NH2-OE1 3.16Å
211E34.8Very low37.2Very low172 Ų172140.7 Ų140.780%0.80478%0.781SS**  cis-174.5178.5-9175.8157.7-144.200107.6
212A30.4Very low37.1Very low96 Ų96144 Ų14479%0.79379%0.789SS**  trans74.687164.500000120.6
213A31.6Very low37.4Very low104 Ų104144.8 Ų144.886%0.8679%0.786SS**  -156.9148.4123.700000109.7
214L34Very low37.7Very low164 Ų164144.5 Ų144.586%0.85979%0.789SS**  trans-113.2128.4-159.3-71.9145.7000114.9
215S33.4Very low37.8Very low109 Ų109140.3 Ų140.376%0.76278%0.784SS**  trans60.6161.8145.3-57.40000121.4
216P36.9Very low38.5Very low132 Ų132141.5 Ų141.586%0.85779%0.791SS**  cis-128.1-169-31.733.2-11.9000114.3
217L30.6Very low39.8Very low163 Ų163135.4 Ų135.485%0.85377%0.774SS**  trans-109.8-165.3-163.6-14189.3000113.8
218P50.5Low41.3Very low105 Ų105129 Ų12968%0.68276%0.761SS**  -113.1-142.3-65.942.6-26.6000111.5
219P48.2Very low42.4Very low117 Ų117129.5 Ų129.576%0.7676%0.764SS**  cis-125.4158.1-3535.1-19.2000115
220S28.5Very low44Very low117 Ų117128 Ų12882%0.81876%0.758SS**  trans179.7149.5164.5172.20000111.3
221V35.9Very low45.5Very low123 Ų123129.3 Ų129.375%0.74576%0.764SS**  cis-160.9137.1-24.1132.60000108
222E39.5Very low46.9Very low183 Ų183123.9 Ų123.986%0.85575%0.749SS**  trans54.1152.4161.4-65.5-57.9139.100124
223D42.1Very low48.4Very low150 Ų150121.9 Ų121.980%0.80273%0.726SS**  trans-112.8-179.3-176179.929000111.3
224A46.7Very low49.9Very low93 Ų93119.8 Ų119.877%0.76971%0.709SS**  trans71.9145.317500000116.4
225G53.8Low51.1Low66 Ų66118.2 Ų118.268%0.6870%0.701SS**  cis161.9147.90.900000109
226L52.8Low52.2Low172 Ų172117.7 Ų117.790%0.90169%0.693SS**PPolyproline II helixtrans-63.3137.8179.7-82.9149.7000111.1
227P62.9Low53Low96 Ų96120.6 Ų120.662%0.62369%0.687SS**PPolyproline II helixtrans-68.7145-175.528.1-34.9000112.2
228S68.3Low53.8Low75 Ų75121.6 Ų121.652%0.52468%0.684SS.*PPolyproline II helixtrans-67.4146.5176.5-178.10000111.8E230 Q231S228-E230 PolarHBondContact O-N 3.46Å; S228-E230 VanDerWaalsContact O-N 3.1Å; S228-Q231 VanDerWaalsContact O-CB 3.31Å; S228-Q231 WeakPolarHBondContact O-CB 3.42Å; S228-Q231 PolarHBondContact O-N 3.44Å
229Y59.8Low54.1Low189 Ų189124.9 Ų124.974%0.74169%0.69SS**Hα-helixtrans-47.8-39.5-178.8173-104.6000113.8Q231 A232 V233Y229-Q231 VanDerWaalsContact C-N 3.25Å; Y229-Q231 PolarHBondContact O-N 3.37Å; Y229-A232 PolarHBondContact O-N 3.28Å; Y229-V233 HydrophobicContact CE1-CG2 4.23Å; Y229-V233 HydrophobicContact CE2-CG2 4.2Å; Y229-V233 PolarHBondContact O-N 3.3Å
230E66.4Low54.1Low158 Ų158123.8 Ų123.874%0.73869%0.685SS**Hα-helixtrans-64.1-31.2-178.3-55.7-172.817600112.8S228 A234S228-E230 PolarHBondContact O-N 3.46Å; S228-E230 VanDerWaalsContact O-N 3.1Å; E230-A234 PolarHBondContact O-N 3.34Å
231Q68.9Low55.2Low132 Ų132124.9 Ų124.962%0.61769%0.687SS**Hα-helixtrans-74.9-31.1-178.4-144.9168.84.700111.8S228 Y229S228-Q231 VanDerWaalsContact O-CB 3.31Å; S228-Q231 WeakPolarHBondContact O-CB 3.42Å; S228-Q231 PolarHBondContact O-N 3.44Å; Y229-Q231 VanDerWaalsContact C-N 3.25Å; Y229-Q231 PolarHBondContact O-N 3.37Å
232A63.5Low55.8Low58 Ų58124.3 Ų124.348%0.47969%0.688SS.*Hα-helixtrans-72.3-40.7174.600000112.3Y229 A234 L235Y229-A232 PolarHBondContact O-N 3.28Å; A232-A234 VanDerWaalsContact C-N 3.32Å; A232-A234 PolarHBondContact O-N 3.1Å; A232-L235 WeakPolarHBondContact O-CB 3.31Å; A232-L235 PolarHBondContact O-N 2.96Å; A232-L235 VanDerWaalsContact O-N 3.16Å
233V62.8Low57Low54 Ų54121.2 Ų121.233%0.32768%0.684SS.*Hα-helixtrans-69-29.1-179.8176.90000112.3Y229 L235 T236Y229-V233 HydrophobicContact CE1-CG2 4.23Å; Y229-V233 HydrophobicContact CE2-CG2 4.2Å; Y229-V233 PolarHBondContact O-N 3.3Å; V233-L235 VanDerWaalsContact C-N 3.28Å; V233-L235 PolarHBondContact O-N 3.29Å; V233-T236 PolarHBondContact O-OG1 3.11Å
234A62.2Low57.6Low59 Ų59119.8 Ų119.849%0.48868%0.683SS.*Hα-helixtrans-68.1-26.917300000113.1E230 A232E230-A234 PolarHBondContact O-N 3.34Å; A232-A234 VanDerWaalsContact C-N 3.32Å; A232-A234 PolarHBondContact O-N 3.1Å
235L59.7Low57.9Low132 Ų132120 Ų12069%0.69168%0.676SS**Hα-helixtrans-78.7-40.7-174.8-128.5160.8000112.1A232 V233A232-L235 WeakPolarHBondContact O-CB 3.31Å; A232-L235 PolarHBondContact O-N 2.96Å; A232-L235 VanDerWaalsContact O-N 3.16Å; V233-L235 VanDerWaalsContact C-N 3.28Å; V233-L235 PolarHBondContact O-N 3.29Å
236T55.3Low57.8Low98 Ų98122.8 Ų122.860%0.60168%0.683SS**Hα-helixtrans-70.6-30176.733.10000113.6V233 K238 H239V233-T236 PolarHBondContact O-OG1 3.11Å; T236-K238 PolarHBondContact O-N 2.74Å; T236-K238 VanDerWaalsContact O-N 3.07Å; T236-H239 PolarHBondContact O-N 2.65Å
237R54.2Low57Low192 Ų192124.9 Ų124.973%0.72568%0.68SS**G310 helixtrans-59.7-22.3-178.8-167.4178.7-64.7167.11.7114H239R237-H239 VanDerWaalsContact C-N 3.32Å; R237-H239 PolarHBondContact O-N 3.45Å
238K48.8Very low56.3Low185 Ų185126.2 Ų126.280%0.80469%0.689SS**G310 helixtrans-76.2-8.9-179.9-74.9-171.9175.7-177.20115.1T236T236-K238 PolarHBondContact O-N 2.74Å; T236-K238 VanDerWaalsContact O-N 3.07Å
239H56.2Low55.6Low173 Ų173126.2 Ų126.280%0.80170%0.701SS**G310 helixtrans-122.915.8-167.5-82.1101.4000116.6T236 R237T236-H239 PolarHBondContact O-N 2.65Å; R237-H239 VanDerWaalsContact C-N 3.32Å; R237-H239 PolarHBondContact O-N 3.45Å
240S47.4Very low54.6Low94 Ų94127.7 Ų127.766%0.65771%0.706SS**  trans-137.796-179.862.90000113.8
241V51.9Low53.5Low140 Ų140124.7 Ų124.785%0.84870%0.699SS**  trans-135.495.3168.1-177.80000110.1
242S49Very low52.3Low112 Ų112128.2 Ų128.278%0.78371%0.712SS**  trans171.9133.9143.3-79.70000111
243P64.4Low51.6Low118 Ų118128.5 Ų128.577%0.76672%0.721SS**PPolyproline II helixtrans-81153.1167.833.7-33.4000111.7
244P55.4Low50.5Low120 Ų120136 Ų13678%0.77975%0.749SS**PPolyproline II helixtrans-74.8148.5177.730.6-34.8000112.8
245P51.6Low50.2Low97 Ų97144.5 Ų144.563%0.6377%0.769SS**PPolyproline II helixtrans-80.7157-178.633-36.1000113.7
246P51.9Low49.2Very low125 Ų125144.3 Ų144.381%0.81277%0.773SS**PPolyproline II helixtrans-84.9148.2178.434.6-34.7000112.9
247Y35.8Very low48.5Very low216 Ų216149 Ų14985%0.84779%0.785SS**  trans-106135.7179.5-78.8-83.8000113.4
248P47.7Very low48.2Very low124 Ų124149.4 Ų149.481%0.80579%0.793SS**  trans-87.9158.3174.135.7-34.6000112.8
249G54.6Low47.6Very low75 Ų75150.7 Ų150.777%0.77380%0.798SS**  trans-113.9154.8176.200000114.1
250Y39.3Very low47.7Very low219 Ų219147.2 Ų147.286%0.85979%0.793SS**  trans-155.1104.2-179.3-162-113.6000115.1
251T42.9Very low47.3Very low96 Ų96150.9 Ų150.959%0.58980%0.802SS**  trans55.8130.8131.371.30000127.2
252K44.3Very low47.6Very low205 Ų205149.3 Ų149.389%0.89180%0.797SS**  67.5124.9118.4-163.4-178.3-171.8-178.50122.3
253G47.3Very low47.6Very low64 Ų64152 Ų15266%0.6680%0.802SS**  trans99140.5163.300000112.7
254F39.8Very low46.9Very low211 Ų211152.4 Ų152.493%0.92581%0.805SS**  cis-135.3157.921.1-80.8-103000113.4
255R55.8Low46.4Very low238 Ų238152.1 Ų152.190%0.89881%0.806SS**  trans-83.8144.3160.4-66176.7-78.3-121.11.5108.7
256V38.8Very low46.1Very low129 Ų129160.3 Ų160.378%0.78284%0.835SS**  trans-162.2124.5147.8136.60000110.8
257F42.2Very low45.8Very low195 Ų195162.1 Ų162.186%0.85584%0.836SS**  trans29.1117.2158-64.7-90.5000123
258K48Very low46.3Very low202 Ų202159.3 Ų159.388%0.87884%0.836SS**  trans-69.7145.9150.5-68.6178.9173.5-178.10110.3
259K35.8Very low46.2Very low211 Ų211161.2 Ų161.292%0.91784%0.837SS**  trans-110.3120149.5-169.9173.6-178.5-177.70107.6
260S57.7Low45.8Very low100 Ų100166.3 Ų166.370%0.69984%0.841SS**  trans-95.2130.7-179.446.60000110.7
261M39.2Very low46.2Very low171 Ų171163 Ų16384%0.84284%0.84SS**  trans-90.7110161.4-70173.182.400108.1
262S57.3Low46.4Very low107 Ų107167.5 Ų167.575%0.74886%0.857SS**PPolyproline II helixtrans-97133.4166.449.80000109
263L50.3Low46.5Very low168 Ų168164.8 Ų164.888%0.8885%0.854SS**PPolyproline II helixtrans-67.9144.7169.6-68.1162000110.2
264P48.3Very low46.5Very low127 Ų127172.5 Ų172.583%0.82587%0.869SS**PPolyproline II helixtrans-67.6148.1166.9-14.729.7000111.2
265S45.1Very low47Very low115 Ų115169.3 Ų169.380%0.80487%0.865SS**PPolyproline II helixtrans-94.1120.6168.556.20000110.6
266H45.8Very low46.2Very low269 Ų269163.1 Ų163.1100%1.24586%0.861SS**  trans620162.4-106-58.9000119.8

Retrieved 266 of 266 residues in 330.3 ms (Link to these results)