A0A077Z227_TRITR Loading...

Zf-C3HC4 3 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z227, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 101 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
1M48.3Very low47.4Very low248 Ų248160.2 Ų160.2100%1.22285%0.851SS**  037.40-78.2170159.100112.6
2L46.7Very low47.9Very low166 Ų166153.6 Ų153.687%0.86983%0.827SS**  trans-140.933.1-178.8-93.6163.3000112.7
3L43.5Very low48.1Very low178 Ų178154.2 Ų154.293%0.93282%0.818SS**SBendtrans-141.747174.6-88.5161.5000110.5
4K41Very low48.4Very low206 Ų206152.4 Ų152.490%0.89681%0.805SS**  trans-141.243176.7-96.7-179.5173.71660111.8
5V50.1Low48.7Very low128 Ų128155.9 Ų155.978%0.77680%0.803SS**SBendtrans-126.219.3179-164.20000112.8
6L47.6Very low49Very low175 Ų175155.6 Ų155.692%0.91679%0.79SS**SBendtrans-132.534.6175.3-66.9174.9000113.2
7R46.8Very low49.4Very low247 Ų247157.5 Ų157.593%0.93279%0.785SS**  trans-127.825.3168.6-76.8-170.5171.6-177.5-2.1113.2
8G40.8Very low50.5Low68 Ų68153.8 Ų153.870%0.70178%0.776SS**SBendtrans-100.7128.7171.100000111.1
9C49.4Very low51.8Low90 Ų90149.4 Ų149.461%0.60876%0.755SS**  trans72.866.2170.9-70.60000118.3
10L52.6Low53.4Low159 Ų159146.9 Ų146.983%0.83275%0.75SS**SBendtrans-77.1-4.2152.4-95.489000113.5
11S54.7Low54.8Low97 Ų97146.6 Ų146.668%0.67874%0.743SS**SBendtrans-86.4-26.5-178.7-1610000113.8K13S11-K13 PolarHBondContact O-N 2.95Å
12S53.2Low56.3Low81 Ų81135.2 Ų135.257%0.56669%0.688SS**THydrogen-bonded Turntrans-82.1-9.6-175.3-530000114.7M14S12-M14 VanDerWaalsContact C-N 3.32Å
13K50.7Low58.1Low162 Ų162129.7 Ų129.770%0.70466%0.661SS**THydrogen-bonded Turntrans-81.8-10176.9-63.3-172.6-177.9-177.30113.4S11S11-K13 PolarHBondContact O-N 2.95Å
14M52.8Low60.2Low128 Ų128128.3 Ų128.363%0.63164%0.644SS**Hα-helixtrans-80.1-27.2-176.2-152117.995.900113S12 Y16 R17S12-M14 VanDerWaalsContact C-N 3.32Å; M14-Y16 PolarHBondContact O-N 2.96Å; M14-R17 PolarHBondContact O-N 3.13Å
15W52.5Low62.2Low206 Ų206125 Ų12578%0.7863%0.626SS**Hα-helixtrans-69.2-31.7-179.3-75.477.1000113.4R17 S18 N19W15-R17 PolarHBondContact O-N 2.86Å; W15-S18 PolarHBondContact O-OG 3.33Å; W15-N19 PolarHBondContact O-N 3.44Å
16Y53.8Low63.8Low150 Ų150121 Ų12159%0.58861%0.608SS**Hα-helixtrans-69.4-28176.8-149.7-113.9000110.7M14 V22M14-Y16 PolarHBondContact O-N 2.96Å; Y16-V22 HydrophobicContact CD1-CB 4.39Å; Y16-V22 HydrophobicContact CD1-CG1 3.1Å; Y16-V22 HydrophobicContact CD2-CB 4.23Å; Y16-V22 HydrophobicContact CD2-CG1 3.66Å; Y16-V22 HydrophobicContact CD2-CG2 3.68Å; Y16-V22 HydrophobicContact CE1-CB 4.13Å; Y16-V22 HydrophobicContact CE1-CG1 2.95Å; Y16-V22 HydrophobicContact CE1-CG2 4.26Å; Y16-V22 HydrophobicContact CE2-CB 3.94Å; Y16-V22 HydrophobicContact CE2-CG1 3.52Å; Y16-V22 HydrophobicContact CE2-CG2 3.2Å; Y16-V22 HydrophobicContact CG-CB 4.41Å; Y16-V22 HydrophobicContact CG-CG1 3.43Å; Y16-V22 VanDerWaalsContact CG-CG1 3.43Å; Y16-V22 HydrophobicContact CG-CG2 4.35Å; Y16-V22 VanDerWaalsContact CZ-CG2 3.49Å; Y16-V22 WeakPolarHBondContact O-CG1 3.47Å
17R55.4Low65.7Low189 Ų189118 Ų11871%0.71359%0.593SS**Hα-helixtrans-83-14.7-177.4-162.114867.6-148.35.7114.3M14 W15M14-R17 PolarHBondContact O-N 3.13Å; W15-R17 PolarHBondContact O-N 2.86Å
18S69Low67.4Low90 Ų90109.9 Ų109.963%0.62957%0.567SS**THydrogen-bonded Turntrans-101.8-2173.253.60000113.5W15 P20W15-S18 PolarHBondContact O-OG 3.33Å; S18-P20 VanDerWaalsContact O-CD 3.27Å; S18-P20 WeakPolarHBondContact O-CD 3.28Å
19N76Confident69.6Low70 Ų70110 Ų11037%0.37455%0.554SS.*  trans-87.9109.5176.5-174.8-19.9000109.6W15 F21 V22 T23W15-N19 PolarHBondContact O-N 3.44Å; N19-F21 PolarHBondContact O-N 3.09Å; N19-F21 WeakPolarHBondContact OD1-CB 3.46Å; N19-F21 PolarHBondContact OD1-N 2.8Å; N19-F21 VanDerWaalsContact OD1-N 3.08Å; N19-V22 HydrophobicContact CB-CB 3.96Å; N19-V22 HydrophobicContact CB-CG2 3.94Å; N19-V22 WeakPolarHBondContact O-CB 3.28Å; N19-V22 PolarHBondContact O-N 3.32Å; N19-V22 VanDerWaalsContact O-N 3.11Å; N19-T23 PolarHBondContact O-N 3.18Å; N19-T23 VanDerWaalsContact O-N 3.09Å; N19-T23 PolarHBondContact O-OG1 2.87Å
20P82.2Confident71.1Confident100 Ų100109.3 Ų109.365%0.64955%0.55SS*.Hα-helixtrans-62-28.3-176.123.8-32.8000113.2S18 V22 T23 W24S18-P20 VanDerWaalsContact O-CD 3.27Å; S18-P20 WeakPolarHBondContact O-CD 3.28Å; P20-V22 VanDerWaalsContact C-N 3.34Å; P20-T23 WeakPolarHBondContact CA-OG1 2.97Å; P20-T23 PolarHBondContact O-OG1 3.11Å; P20-W24 WeakPolarHBondContact O-CB 3.33Å; P20-W24 PolarHBondContact O-N 3.2Å
21F83.5Confident72.6Confident140 Ų140106.7 Ų106.761%0.61454%0.537SS*.Hα-helixtrans-67.2-40.4177.1-179.9-106000111.8N19 Y25N19-F21 PolarHBondContact O-N 3.09Å; N19-F21 WeakPolarHBondContact OD1-CB 3.46Å; N19-F21 PolarHBondContact OD1-N 2.8Å; N19-F21 VanDerWaalsContact OD1-N 3.08Å; F21-Y25 PolarHBondContact O-N 3.44Å
22V80.3Confident74Confident10 Ų10105.6 Ų105.66%0.06153%0.529CS..Hα-helixtrans-71.6-45.4-178.8156.70000111.9Y16 N19 P20 W24 Y25 A26Y16-V22 HydrophobicContact CD1-CB 4.39Å; Y16-V22 HydrophobicContact CD1-CG1 3.1Å; Y16-V22 HydrophobicContact CD2-CB 4.23Å; Y16-V22 HydrophobicContact CD2-CG1 3.66Å; Y16-V22 HydrophobicContact CD2-CG2 3.68Å; Y16-V22 HydrophobicContact CE1-CB 4.13Å; Y16-V22 HydrophobicContact CE1-CG1 2.95Å; Y16-V22 HydrophobicContact CE1-CG2 4.26Å; Y16-V22 HydrophobicContact CE2-CB 3.94Å; Y16-V22 HydrophobicContact CE2-CG1 3.52Å; Y16-V22 HydrophobicContact CE2-CG2 3.2Å; Y16-V22 HydrophobicContact CG-CB 4.41Å; Y16-V22 HydrophobicContact CG-CG1 3.43Å; Y16-V22 VanDerWaalsContact CG-CG1 3.43Å; Y16-V22 HydrophobicContact CG-CG2 4.35Å; Y16-V22 VanDerWaalsContact CZ-CG2 3.49Å; Y16-V22 WeakPolarHBondContact O-CG1 3.47Å; N19-V22 HydrophobicContact CB-CB 3.96Å; N19-V22 HydrophobicContact CB-CG2 3.94Å; N19-V22 WeakPolarHBondContact O-CB 3.28Å; N19-V22 PolarHBondContact O-N 3.32Å; N19-V22 VanDerWaalsContact O-N 3.11Å; P20-V22 VanDerWaalsContact C-N 3.34Å; V22-W24 VanDerWaalsContact C-N 3.31Å; V22-Y25 PolarHBondContact O-N 3.47Å; V22-A26 WeakPolarHBondContact O-CB 3.36Å; V22-A26 PolarHBondContact O-N 3.41Å
23T83.3Confident75.2Confident50 Ų50107.2 Ų107.231%0.30753%0.531SS..Hα-helixtrans-67-38178.955.60000110.5N19 P20 A26 N27N19-T23 PolarHBondContact O-N 3.18Å; N19-T23 VanDerWaalsContact O-N 3.09Å; N19-T23 PolarHBondContact O-OG1 2.87Å; P20-T23 WeakPolarHBondContact CA-OG1 2.97Å; P20-T23 PolarHBondContact O-OG1 3.11Å; T23-A26 PolarHBondContact O-N 3.44Å; T23-N27 WeakPolarHBondContact O-CB 3.39Å; T23-N27 VanDerWaalsContact O-CG 3.23Å; T23-N27 PolarHBondContact O-N 2.91Å; T23-N27 PolarHBondContact O-ND2 2.93Å
24W88.6Confident76.6Confident148 Ų148102.7 Ų102.756%0.56152%0.519SS*.Hα-helixtrans-59.7-48.4171.8176.383000112P20 V22 N27 L28P20-W24 WeakPolarHBondContact O-CB 3.33Å; P20-W24 PolarHBondContact O-N 3.2Å; V22-W24 VanDerWaalsContact C-N 3.31Å; W24-N27 PolarHBondContact O-N 3.22Å; W24-L28 HydrophobicContact CD2-CD1 3.9Å; W24-L28 VanDerWaalsContact CE2-CD1 3.43Å; W24-L28 HydrophobicContact CE3-CD1 4Å; W24-L28 HydrophobicContact CH2-CD1 3.26Å; W24-L28 HydrophobicContact CZ2-CD1 3.13Å; W24-L28 HydrophobicContact CZ2-CG 4.34Å; W24-L28 HydrophobicContact CZ3-CD1 3.69Å; W24-L28 PolarHBondContact O-N 2.87Å
25Y82.3Confident77.7Confident136 Ų13699.5 Ų99.553%0.53351%0.51SS..Hα-helixtrans-60.8-49.5177.9-172.9-101.2000111.2F21 V22 N27 L28 V29F21-Y25 PolarHBondContact O-N 3.44Å; V22-Y25 PolarHBondContact O-N 3.47Å; Y25-N27 VanDerWaalsContact C-N 3.3Å; Y25-N27 PolarHBondContact O-N 3.4Å; Y25-L28 WeakPolarHBondContact O-CB 3.37Å; Y25-L28 PolarHBondContact O-N 2.99Å; Y25-L28 VanDerWaalsContact O-N 3.08Å; Y25-V29 HydrophobicContact CD1-CG2 3.73Å; Y25-V29 HydrophobicContact CE1-CG2 3.58Å; Y25-V29 HydrophobicContact CG-CG2 4.3Å; Y25-V29 WeakPolarHBondContact O-CG2 3.36Å; Y25-V29 PolarHBondContact O-N 2.97Å
26A84.3Confident78.8Confident46 Ų4692 Ų9238%0.3849%0.492SS..Hα-helixtrans-58-39.6178.700000113.1V22 T23 S30V22-A26 WeakPolarHBondContact O-CB 3.36Å; V22-A26 PolarHBondContact O-N 3.41Å; T23-A26 PolarHBondContact O-N 3.44Å; A26-S30 WeakPolarHBondContact O-CB 3.28Å; A26-S30 PolarHBondContact O-N 2.9Å; A26-S30 PolarHBondContact O-OG 2.78Å
27N87Confident79.5Confident112 Ų11289.1 Ų89.160%0.59949%0.49SS*.Hα-helixtrans-67.2-42.4174.3-73-25.1000111.5T23 W24 Y25 V29 S30 D31T23-N27 WeakPolarHBondContact O-CB 3.39Å; T23-N27 VanDerWaalsContact O-CG 3.23Å; T23-N27 PolarHBondContact O-N 2.91Å; T23-N27 PolarHBondContact O-ND2 2.93Å; W24-N27 PolarHBondContact O-N 3.22Å; Y25-N27 VanDerWaalsContact C-N 3.3Å; Y25-N27 PolarHBondContact O-N 3.4Å; N27-V29 PolarHBondContact O-N 2.91Å; N27-S30 PolarHBondContact O-N 2.89Å; N27-D31 WeakPolarHBondContact O-CB 3.45Å; N27-D31 PolarHBondContact O-N 3.33Å
28L83.7Confident80.2Confident76 Ų7683.9 Ų83.940%0.39849%0.487SS..Hα-helixtrans-60-45.1175.2-107.6174.1000112.4W24 Y25 S30 D31 S32W24-L28 HydrophobicContact CD2-CD1 3.9Å; W24-L28 VanDerWaalsContact CE2-CD1 3.43Å; W24-L28 HydrophobicContact CE3-CD1 4Å; W24-L28 HydrophobicContact CH2-CD1 3.26Å; W24-L28 HydrophobicContact CZ2-CD1 3.13Å; W24-L28 HydrophobicContact CZ2-CG 4.34Å; W24-L28 HydrophobicContact CZ3-CD1 3.69Å; W24-L28 PolarHBondContact O-N 2.87Å; Y25-L28 WeakPolarHBondContact O-CB 3.37Å; Y25-L28 PolarHBondContact O-N 2.99Å; Y25-L28 VanDerWaalsContact O-N 3.08Å; L28-S30 VanDerWaalsContact C-N 3.28Å; L28-S30 PolarHBondContact O-N 3.35Å; L28-D31 PolarHBondContact O-N 3.44Å; L28-S32 VanDerWaalsContact O-CB 3.22Å; L28-S32 WeakPolarHBondContact O-CB 3.34Å; L28-S32 PolarHBondContact O-N 3.49Å
29V85.4Confident79.9Confident71 Ų7187.7 Ų87.743%0.4350%0.495SS..Hα-helixtrans-66.1-36177.6-145.40000110.6Y25 N27 L33Y25-V29 HydrophobicContact CD1-CG2 3.73Å; Y25-V29 HydrophobicContact CE1-CG2 3.58Å; Y25-V29 HydrophobicContact CG-CG2 4.3Å; Y25-V29 WeakPolarHBondContact O-CG2 3.36Å; Y25-V29 PolarHBondContact O-N 2.97Å; N27-V29 PolarHBondContact O-N 2.91Å; V29-L33 VanDerWaalsContact O-CB 3.24Å; V29-L33 WeakPolarHBondContact O-CB 3.49Å; V29-L33 PolarHBondContact O-N 3.23Å
30S82.7Confident79.3Confident74 Ų7494.6 Ų94.652%0.51752%0.516SS..Hα-helixtrans-68.7-42.2177-600000112.2A26 N27 L28 L33 S34A26-S30 WeakPolarHBondContact O-CB 3.28Å; A26-S30 PolarHBondContact O-N 2.9Å; A26-S30 PolarHBondContact O-OG 2.78Å; N27-S30 PolarHBondContact O-N 2.89Å; L28-S30 VanDerWaalsContact C-N 3.28Å; L28-S30 PolarHBondContact O-N 3.35Å; S30-L33 PolarHBondContact O-N 3.12Å; S30-S34 WeakPolarHBondContact O-CB 3.39Å; S30-S34 PolarHBondContact O-N 3.29Å; S30-S34 PolarHBondContact O-OG 2.84Å
31D83.3Confident78.1Confident105 Ų10592.6 Ų92.656%0.56151%0.514SS*.Hα-helixtrans-65.8-46.3176.7-172.668000111N27 L28 L33 S34 S35N27-D31 WeakPolarHBondContact O-CB 3.45Å; N27-D31 PolarHBondContact O-N 3.33Å; L28-D31 PolarHBondContact O-N 3.44Å; D31-L33 VanDerWaalsContact C-N 3.32Å; D31-L33 PolarHBondContact O-N 3.25Å; D31-S34 WeakPolarHBondContact CA-OG 3.49Å; D31-S34 PolarHBondContact O-N 3.48Å; D31-S34 PolarHBondContact O-OG 3.39Å; D31-S35 PolarHBondContact O-N 2.68Å; D31-S35 PolarHBondContact O-OG 2.7Å
32S83.1Confident76.9Confident73 Ų7391 Ų9151%0.5151%0.511SS..Hα-helixtrans-61.5-37.8174.4-176.40000112.6L28 S35 A36L28-S32 VanDerWaalsContact O-CB 3.22Å; L28-S32 WeakPolarHBondContact O-CB 3.34Å; L28-S32 PolarHBondContact O-N 3.49Å; S32-S35 VanDerWaalsContact CA-OG 3.3Å; S32-S35 WeakPolarHBondContact CA-OG 3.17Å; S32-S35 PolarHBondContact O-OG 3.26Å; S32-A36 WeakPolarHBondContact O-CB 3.45Å; S32-A36 PolarHBondContact O-N 2.81Å; S32-A36 VanDerWaalsContact O-N 3.15Å
33L80.3Confident75.9Confident115 Ų11595.6 Ų95.660%0.60254%0.536SS*.Hα-helixtrans-70.6-42.3174.2-17664000110.9V29 S30 D31 S35 A36 V37V29-L33 VanDerWaalsContact O-CB 3.24Å; V29-L33 WeakPolarHBondContact O-CB 3.49Å; V29-L33 PolarHBondContact O-N 3.23Å; S30-L33 PolarHBondContact O-N 3.12Å; D31-L33 VanDerWaalsContact C-N 3.32Å; D31-L33 PolarHBondContact O-N 3.25Å; L33-S35 VanDerWaalsContact C-N 3.33Å; L33-S35 PolarHBondContact O-N 2.85Å; L33-A36 PolarHBondContact O-N 2.9Å; L33-V37 HydrophobicContact CD1-CG2 4.2Å; L33-V37 HydrophobicContact CG-CG2 4.29Å; L33-V37 WeakPolarHBondContact O-CG2 3.39Å; L33-V37 PolarHBondContact O-N 3.26Å
34S78.8Confident74.7Confident67 Ų6799.1 Ų99.147%0.46955%0.548SS..Hα-helixtrans-64.3-37.1179.366.50000112.8S30 D31 V37 A38S30-S34 WeakPolarHBondContact O-CB 3.39Å; S30-S34 PolarHBondContact O-N 3.29Å; S30-S34 PolarHBondContact O-OG 2.84Å; D31-S34 WeakPolarHBondContact CA-OG 3.49Å; D31-S34 PolarHBondContact O-N 3.48Å; D31-S34 PolarHBondContact O-OG 3.39Å; S34-V37 PolarHBondContact O-N 3.3Å; S34-A38 WeakPolarHBondContact O-CB 3.29Å; S34-A38 PolarHBondContact O-N 3.41Å
35S76.2Confident73.3Confident61 Ų6199.2 Ų99.243%0.42756%0.555SS.*Hα-helixtrans-68.5-40.517440.50000111.6D31 S32 L33 A38D31-S35 PolarHBondContact O-N 2.68Å; D31-S35 PolarHBondContact O-OG 2.7Å; S32-S35 VanDerWaalsContact CA-OG 3.3Å; S32-S35 WeakPolarHBondContact CA-OG 3.17Å; S32-S35 PolarHBondContact O-OG 3.26Å; L33-S35 VanDerWaalsContact C-N 3.33Å; L33-S35 PolarHBondContact O-N 2.85Å; S35-A38 PolarHBondContact O-N 3.46Å
36A75.2Confident72.3Confident50 Ų5098.9 Ų98.941%0.41356%0.558SS.*Hα-helixtrans-65.1-37.7174.300000113.2S32 L33S32-A36 WeakPolarHBondContact O-CB 3.45Å; S32-A36 PolarHBondContact O-N 2.81Å; S32-A36 VanDerWaalsContact O-N 3.15Å; L33-A36 PolarHBondContact O-N 2.9Å
37V69.6Low71.7Confident88 Ų88103.3 Ų103.353%0.53357%0.571SS.*Hα-helixtrans-75.4-30.1179177.70000111.6L33 S34 E39 W40L33-V37 HydrophobicContact CD1-CG2 4.2Å; L33-V37 HydrophobicContact CG-CG2 4.29Å; L33-V37 WeakPolarHBondContact O-CG2 3.39Å; L33-V37 PolarHBondContact O-N 3.26Å; S34-V37 PolarHBondContact O-N 3.3Å; V37-E39 PolarHBondContact O-N 2.88Å; V37-W40 PolarHBondContact O-N 3.2Å; V37-W40 VanDerWaalsContact O-N 3.08Å
38A68.6Low71.6Confident80 Ų80100 Ų10066%0.66155%0.554SS**Hα-helixtrans-63.7-27.217700000113.2S34 S35 W40S34-A38 WeakPolarHBondContact O-CB 3.29Å; S34-A38 PolarHBondContact O-N 3.41Å; S35-A38 PolarHBondContact O-N 3.46Å; A38-W40 VanDerWaalsContact C-N 3.34Å
39E64.1Low72Confident170 Ų17099.4 Ų99.479%0.79455%0.549SS*.THydrogen-bonded Turntrans-78.8-16.6174.9-65.5-166.6160.800113.1V37 G41V37-E39 PolarHBondContact O-N 2.88Å; E39-G41 PolarHBondContact O-N 2.86Å
40W62.5Low72.5Confident215 Ų21596 Ų9681%0.81453%0.528SS*.SBendtrans-94.159178-64.815.4000109.4V37 A38 D42V37-W40 PolarHBondContact O-N 3.2Å; V37-W40 VanDerWaalsContact O-N 3.08Å; A38-W40 VanDerWaalsContact C-N 3.34Å; W40-D42 PolarHBondContact O-N 3.36Å; W40-D42 VanDerWaalsContact O-N 3.13Å
41G57Low72.9Confident58 Ų5897.4 Ų97.460%0.59853%0.525SS*.  trans-7397.5-178.500000112.5E39 D43E39-G41 PolarHBondContact O-N 2.86Å; G41-D43 PolarHBondContact O-N 3.1Å
42D59.3Low73.4Confident105 Ų10596.9 Ų96.956%0.56152%0.521SS*.  trans4465.5152.9-151.234.9000118.2W40 Q44W40-D42 PolarHBondContact O-N 3.36Å; W40-D42 VanDerWaalsContact O-N 3.13Å; D42-Q44 PolarHBondContact O-N 3.19Å; D42-Q44 WeakPolarHBondContact OD1-CB 3.28Å; D42-Q44 WeakPolarHBondContact OD1-CG 3.14Å; D42-Q44 PolarHBondContact OD1-NE2 2.73Å
43D58.6Low73.9Confident108 Ų10895.6 Ų95.658%0.57851%0.512SS*.THydrogen-bonded Turntrans-66.215.2165.7-56.6-43.7000113.6G41 E45 E46 Q47G41-D43 PolarHBondContact O-N 3.1Å; D43-E45 PolarHBondContact O-N 3.37Å; D43-E46 PolarHBondContact O-N 3.21Å; D43-E46 VanDerWaalsContact O-N 3.15Å; D43-Q47 PolarHBondContact O-N 2.76Å; D43-Q47 VanDerWaalsContact O-N 3.16Å
44Q59.2Low74.6Confident123 Ų12394.9 Ų94.958%0.57551%0.507SS*.Hα-helixtrans-62.2-32.9-178.7-79.6-177.452.300112.1D42 E46 Q47 D48D42-Q44 PolarHBondContact O-N 3.19Å; D42-Q44 WeakPolarHBondContact OD1-CB 3.28Å; D42-Q44 WeakPolarHBondContact OD1-CG 3.14Å; D42-Q44 PolarHBondContact OD1-NE2 2.73Å; Q44-E46 VanDerWaalsContact C-N 3.33Å; Q44-E46 PolarHBondContact O-N 3.48Å; Q44-Q47 PolarHBondContact O-N 2.87Å; Q44-D48 PolarHBondContact O-N 3.29Å
45E58.9Low75.2Confident150 Ų15097.3 Ų97.370%0.70152%0.518SS*.Hα-helixtrans-64.9-37.7175.9-66.9-162.3153.900112D43 D48D43-E45 PolarHBondContact O-N 3.37Å; E45-D48 PolarHBondContact O-N 3.17Å
46E61.3Low76Confident129 Ų12997 Ų9760%0.60352%0.516SS*.Hα-helixtrans-66.9-36.9174.2-89.4-163.5172.900111.8D43 Q44 D48 E49 K51D43-E46 PolarHBondContact O-N 3.21Å; D43-E46 VanDerWaalsContact O-N 3.15Å; Q44-E46 VanDerWaalsContact C-N 3.33Å; Q44-E46 PolarHBondContact O-N 3.48Å; E46-D48 PolarHBondContact O-N 2.66Å; E46-E49 PolarHBondContact O-N 3.34Å; E46-K51 PolarHBondContact O-NZ 2.91Å
47Q70.7Confident76.9Confident140 Ų140102.7 Ų102.765%0.65453%0.527SS*.Hα-helixtrans-65.1-28.8177.3-68.9-173.722.300112.3D43 Q44 E49D43-Q47 PolarHBondContact O-N 2.76Å; D43-Q47 VanDerWaalsContact O-N 3.16Å; Q44-Q47 PolarHBondContact O-N 2.87Å; Q47-E49 VanDerWaalsContact C-N 3.3Å; Q47-E49 PolarHBondContact O-N 3.48Å
48D85.4Confident78.1Confident42 Ų4299.1 Ų99.123%0.22551%0.505CS..THydrogen-bonded Turntrans-82.5-0.3178.4-93.3-7.1000113.6Q44 E45 E46 R57 V58 K100Q44-D48 PolarHBondContact O-N 3.29Å; E45-D48 PolarHBondContact O-N 3.17Å; E46-D48 PolarHBondContact O-N 2.66Å; D48-R57 CarbonylContact O-C 3.37Å; D48-R57 WeakPolarHBondContact O-CA 3.41Å; D48-R57 WeakPolarHBondContact O-CB 3.19Å; D48-V58 PolarHBondContact O-N 3.43Å; D48-K100 IonicContact OD1-NZ 2.68Å; D48-K100 PolarHBondContact OD1-NZ 2.68Å; D48-K100 IonicContact OD2-NZ 2.76Å; D48-K100 PolarHBondContact OD2-NZ 3.21Å
49E92.8Very high79.4Confident64 Ų6497.2 Ų97.230%0.29948%0.484SS..BIsolated β-bridgetrans-94.7138.7179.1-167172.9-150.700113.4E46 Q47 K51 M54 V55 V58E46-E49 PolarHBondContact O-N 3.34Å; Q47-E49 VanDerWaalsContact C-N 3.3Å; Q47-E49 PolarHBondContact O-N 3.48Å; E49-K51 PolarHBondContact O-N 3.24Å; E49-K51 VanDerWaalsContact O-N 3.1Å; E49-M54 WeakPolarHBondContact OE1-CA 3.08Å; E49-M54 VanDerWaalsContact OE1-O 3.07Å; E49-V55 PolarHBondContact OE1-N 3.17Å; E49-V58 VanDerWaalsContact C-CG2 3.49Å; E49-V58 WeakPolarHBondContact O-CG2 3.42Å
50C94.8Very high80.9Confident0 Ų089.1 Ų89.10%045%0.446CS..  trans-63.6113.3178.1171.70000111.5I52 C53 M54 S56 C71C50-I52 PolarHBondContact O-N 2.75Å; C50-C53 PolarHBondContact O-N 3.45Å; C50-M54 WeakPolarHBondContact O-CA 3.47Å; C50-M54 PolarHBondContact O-N 3.15Å; C50-M54 VanDerWaalsContact O-SD 3.42Å; C50-S56 WeakPolarHBondContact CB-O 3.26Å; C50-S56 PolarHBondContact N-O 3.08Å; C50-C71 HydrophobicContact CB-CB 3.82Å; C50-C71 PolarHBondContact SG-N 3.31Å
51K91.3Very high82.5Confident103 Ų10379.4 Ų79.445%0.44841%0.411SS..THydrogen-bonded Turntrans-65.91.2-177.8-53.7-59.3174.4-173.20116E46 E49 M54 S69E46-K51 PolarHBondContact O-NZ 2.91Å; E49-K51 PolarHBondContact O-N 3.24Å; E49-K51 VanDerWaalsContact O-N 3.1Å; K51-M54 HydrophobicContact CB-CE 4.35Å; K51-M54 HydrophobicContact CD-CE 4.38Å; K51-M54 WeakPolarHBondContact O-CE 3.28Å; K51-S69 PolarHBondContact N-O 3.16Å
52I93.5Very high84.4Confident93 Ų9376.7 Ų76.748%0.47738%0.383SS..THydrogen-bonded Turntrans-103.6-56.5176.3-63.9-172.4000111.5C50 M70 C74C50-I52 PolarHBondContact O-N 2.75Å; I52-M70 HydrophobicContact CD1-CE 3.71Å; I52-M70 HydrophobicContact CD1-CG 4.33Å; I52-M70 HydrophobicContact CD1-SD 3.28Å; I52-M70 WeakPolarHBondContact CD1-SD 3.35Å; I52-M70 HydrophobicContact CG1-SD 3.99Å; I52-C74 HydrophobicContact CB-CB 4.06Å; I52-C74 HydrophobicContact CD1-CB 4.14Å; I52-C74 HydrophobicContact CG2-CB 4.22Å
53C94.8Very high86.2Confident46 Ų4677.1 Ų77.131%0.31138%0.378SS..THydrogen-bonded Turntrans-90.3-25-177.963.80000113.9C50 V55C50-C53 PolarHBondContact O-N 3.45Å; C53-V55 WeakPolarHBondContact O-CG2 3.13Å; C53-V55 PolarHBondContact O-N 3.13Å
54M93.3Very high88Confident101 Ų10175.1 Ų75.150%0.49837%0.37SS..SBendtrans50.643.1-173.7-47.9-62.5-171.700112.2E49 C50 K51E49-M54 WeakPolarHBondContact OE1-CA 3.08Å; E49-M54 VanDerWaalsContact OE1-O 3.07Å; C50-M54 WeakPolarHBondContact O-CA 3.47Å; C50-M54 PolarHBondContact O-N 3.15Å; C50-M54 VanDerWaalsContact O-SD 3.42Å; K51-M54 HydrophobicContact CB-CE 4.35Å; K51-M54 HydrophobicContact CD-CE 4.38Å; K51-M54 WeakPolarHBondContact O-CE 3.28Å
55V92Very high89.8Confident118 Ų11870.7 Ų70.772%0.71535%0.353SS*.SBendtrans-137.8-44.5179.9174.90000110.6E49 C53E49-V55 PolarHBondContact OE1-N 3.17Å; C53-V55 WeakPolarHBondContact O-CG2 3.13Å; C53-V55 PolarHBondContact O-N 3.13Å
56S93.3Very high91.6Very high53 Ų5365.8 Ų65.837%0.37134%0.343SS..SBendtrans-104.6151.1-177.8-53.50000110.8C50C50-S56 WeakPolarHBondContact CB-O 3.26Å; C50-S56 PolarHBondContact N-O 3.08Å
57R93.5Very high93.2Very high170 Ų17062.9 Ų62.964%0.64233%0.329SS*.BIsolated β-bridgetrans-68.7155.8173.4-65.9-173.4179.9-163.4-3.2112.2D48 D59 C71D48-R57 CarbonylContact O-C 3.37Å; D48-R57 WeakPolarHBondContact O-CA 3.41Å; D48-R57 WeakPolarHBondContact O-CB 3.19Å; R57-D59 PolarHBondContact O-N 3.31Å; R57-C71 VanDerWaalsContact O-CB 3.28Å; R57-C71 WeakPolarHBondContact O-CB 3.35Å
58V95Very high94.4Very high13 Ų1363.2 Ų63.28%0.07933%0.325CS..  trans-68.7107.8172.8-179.70000108.9D48 E49 Y68D48-V58 PolarHBondContact O-N 3.43Å; E49-V58 VanDerWaalsContact C-CG2 3.49Å; E49-V58 WeakPolarHBondContact O-CG2 3.42Å; V58-Y68 HydrophobicContact CG1-CD2 3.8Å; V58-Y68 HydrophobicContact CG1-CG 4.43Å
59D95.7Very high94.7Very high40 Ų4062.2 Ų62.221%0.21432%0.322CS..  trans-127.923.4-179.570.4-21.9000111.7R57 C71 Y72 K97 I98R57-D59 PolarHBondContact O-N 3.31Å; D59-C71 WeakPolarHBondContact OD1-CA 3.02Å; D59-Y72 PolarHBondContact OD1-N 3.03Å; D59-K97 CarbonylContact O-C 3.55Å; D59-K97 WeakPolarHBondContact O-CA 3.16Å; D59-K97 WeakPolarHBondContact O-CG 3.38Å; D59-K97 WeakPolarHBondContact OD2-CE 3.27Å; D59-K97 IonicContact OD2-NZ 3.74Å; D59-I98 PolarHBondContact O-N 2.98Å
60S96Very high94.8Very high0 Ų059.4 Ų59.40%031%0.309CS..EExtended strand (participates in β ladder)trans-144.5146.918072.90000114.9Y68 M70 A75 L96S60-Y68 WeakPolarHBondContact O-CA 3.06Å; S60-Y68 WeakPolarHBondContact O-CB 3.37Å; S60-M70 PolarHBondContact N-O 3.15Å; S60-M70 PolarHBondContact OG-O 2.77Å; S60-A75 WeakPolarHBondContact OG-CB 3.05Å; S60-L96 CarbonylContact C-O 3.54Å; S60-L96 WeakPolarHBondContact CA-O 3.11Å; S60-L96 WeakPolarHBondContact CB-O 3.38Å
61A96.3Very high94.9Very high11 Ų1159.6 Ų59.69%0.09131%0.31CS..EExtended strand (participates in β ladder)trans-126.4150.7175.700000112H67 L96 I98A61-H67 WeakPolarHBondContact CA-O 3.43Å; A61-L96 PolarHBondContact N-O 3.08Å; A61-L96 PolarHBondContact O-N 3.11Å; A61-I98 HydrophobicContact CB-CD1 3.71Å; A61-I98 HydrophobicContact CB-CG1 4.29Å
62F97.5Very high95.2Very high1 Ų157.6 Ų57.60%0.00430%0.3CS..EExtended strand (participates in β ladder)trans-93.8122.2179-58.6-63000111.9C65 G66 H67 M70 A75 C85 P86 I92 V95F62-C65 PolarHBondContact O-N 3.48Å; F62-C65 PolarHBondContact O-SG 2.9Å; F62-C65 VanDerWaalsContact O-SG 3.33Å; F62-G66 PolarHBondContact O-N 3.18Å; F62-H67 VanDerWaalsContact CD2-O 3.26Å; F62-H67 WeakPolarHBondContact CD2-O 3.46Å; F62-H67 PolarHBondContact N-O 3.26Å; F62-M70 HydrophobicContact CE1-CE 4.16Å; F62-M70 HydrophobicContact CE2-SD 4.42Å; F62-M70 HydrophobicContact CZ-CE 3.5Å; F62-M70 HydrophobicContact CZ-CG 4.29Å; F62-M70 HydrophobicContact CZ-SD 3.87Å; F62-A75 HydrophobicContact CE1-CB 3.9Å; F62-A75 HydrophobicContact CZ-CB 4.28Å; F62-C85 HydrophobicContact CD2-CB 4.4Å; F62-P86 HydrophobicContact CE2-CG 3.75Å; F62-P86 HydrophobicContact CZ-CG 4.16Å; F62-I92 HydrophobicContact CB-CG1 4.16Å; F62-I92 HydrophobicContact CB-CG2 4.41Å; F62-I92 HydrophobicContact CD1-CD1 3.42Å; F62-I92 VanDerWaalsContact CD1-CD1 3.42Å; F62-I92 HydrophobicContact CD1-CG1 3.96Å; F62-I92 HydrophobicContact CD1-CG2 4.11Å; F62-I92 HydrophobicContact CE1-CD1 3.67Å; F62-I92 HydrophobicContact CG-CD1 4Å; F62-I92 HydrophobicContact CG-CG1 4.19Å; F62-I92 HydrophobicContact CZ-CD1 4.44Å; F62-V95 HydrophobicContact CD1-CG2 4.29Å; F62-V95 HydrophobicContact CE1-CG2 4.49Å
63Y97Very high95.4Very high115 Ų11557 Ų5745%0.45130%0.302SS..EExtended strand (participates in β ladder)trans-88.8136.3173.5-177.1-102.9000110.7R93 D94Y63-R93 HydrophobicContact CD1-CB 3.86Å; Y63-R93 HydrophobicContact CE1-CB 4.37Å; Y63-R93 PolarHBondContact O-N 3.48Å; Y63-D94 HydrophobicContact CD1-CB 4.49Å; Y63-D94 PolarHBondContact N-O 3.28Å
64P96.6Very high95.5Very high65 Ų6555.4 Ų55.442%0.42229%0.292SS..THydrogen-bonded Turncis-95.10.15.737.1-35.9000115.4G66P64-G66 VanDerWaalsContact C-N 3.32Å; P64-G66 PolarHBondContact O-N 2.82Å
65C96.9Very high95.7Very high30 Ų3050.6 Ų50.620%0.20327%0.268CS..THydrogen-bonded Turntrans-72.9-20.2-172.759.10000115F62 H67 C85 K90F62-C65 PolarHBondContact O-N 3.48Å; F62-C65 PolarHBondContact O-SG 2.9Å; F62-C65 VanDerWaalsContact O-SG 3.33Å; C65-H67 PolarHBondContact O-N 3.45Å; C65-C85 VanDerWaalsContact SG-SG 3.67Å; C65-K90 HydrophobicContact CB-CD 4.33Å
66G95.6Very high95.9Very high48 Ų4848.8 Ų48.850%0.49525%0.25SS..  trans78.3-8.2178.300000115.6F62 P64F62-G66 PolarHBondContact O-N 3.18Å; P64-G66 VanDerWaalsContact C-N 3.32Å; P64-G66 PolarHBondContact O-N 2.82Å
67H96Very high96Very high67 Ų6750.6 Ų50.631%0.3126%0.255SS..  trans-62.5138.6177.2-69.8121.5000112.4A61 F62 C65 I87 C88A61-H67 WeakPolarHBondContact CA-O 3.43Å; F62-H67 VanDerWaalsContact CD2-O 3.26Å; F62-H67 WeakPolarHBondContact CD2-O 3.46Å; F62-H67 PolarHBondContact N-O 3.26Å; C65-H67 PolarHBondContact O-N 3.45Å; H67-I87 HydrophobicContact CB-CB 4.16Å; H67-I87 HydrophobicContact CB-CD1 3.74Å; H67-I87 HydrophobicContact CB-CG1 4.12Å; H67-C88 VanDerWaalsContact CE1-CB 3.41Å; H67-C88 WeakPolarHBondContact CE1-CB 3.35Å; H67-C88 VanDerWaalsContact CE1-SG 3.56Å; H67-C88 PolarHBondContact ND1-SG 3.09Å
68Y94.3Very high96.1Very high147 Ų14743.2 Ų43.258%0.57623%0.229SC*.EExtended strand (participates in β ladder)trans-127.7135.117557.9-84.2000109.2V58 S60V58-Y68 HydrophobicContact CG1-CD2 3.8Å; V58-Y68 HydrophobicContact CG1-CG 4.43Å; S60-Y68 WeakPolarHBondContact O-CA 3.06Å; S60-Y68 WeakPolarHBondContact O-CB 3.37Å
69S93.3Very high96.2Very high22 Ų2246 Ų4615%0.15424%0.241CC..EExtended strand (participates in β ladder)trans-155.1-1179.159.70000114.3K51K51-S69 PolarHBondContact N-O 3.16Å
70M95Very high96.2Very high5 Ų553.7 Ų53.73%0.02527%0.266CS..EExtended strand (participates in β ladder)trans-148157.2-166.1-26.7-172.6-37.500110.2I52 S60 F62 C74 A75 T78 P86I52-M70 HydrophobicContact CD1-CE 3.71Å; I52-M70 HydrophobicContact CD1-CG 4.33Å; I52-M70 HydrophobicContact CD1-SD 3.28Å; I52-M70 WeakPolarHBondContact CD1-SD 3.35Å; I52-M70 HydrophobicContact CG1-SD 3.99Å; S60-M70 PolarHBondContact N-O 3.15Å; S60-M70 PolarHBondContact OG-O 2.77Å; F62-M70 HydrophobicContact CE1-CE 4.16Å; F62-M70 HydrophobicContact CE2-SD 4.42Å; F62-M70 HydrophobicContact CZ-CE 3.5Å; F62-M70 HydrophobicContact CZ-CG 4.29Å; F62-M70 HydrophobicContact CZ-SD 3.87Å; M70-C74 HydrophobicContact CB-CB 4.18Å; M70-C74 VanDerWaalsContact CE-C 3.44Å; M70-C74 HydrophobicContact CE-CB 4.33Å; M70-C74 WeakPolarHBondContact CE-O 3.41Å; M70-A75 HydrophobicContact CE-CB 3.74Å; M70-A75 VanDerWaalsContact CE-N 3.32Å; M70-T78 HydrophobicContact CE-CG2 4.37Å; M70-T78 VanDerWaalsContact CE-OG1 3.29Å; M70-T78 WeakPolarHBondContact CE-OG1 3.37Å; M70-P86 HydrophobicContact SD-CG 3.99Å
71C96.8Very high96.1Very high3 Ų361.7 Ų61.72%0.0230%0.301CS..  trans-71.6158.5169.569.30000111C50 R57 D59 C74 A75C50-C71 HydrophobicContact CB-CB 3.82Å; C50-C71 PolarHBondContact SG-N 3.31Å; R57-C71 VanDerWaalsContact O-CB 3.28Å; R57-C71 WeakPolarHBondContact O-CB 3.35Å; D59-C71 WeakPolarHBondContact OD1-CA 3.02Å; C71-C74 PolarHBondContact O-N 2.91Å; C71-C74 VanDerWaalsContact O-N 3.12Å; C71-C74 PolarHBondContact SG-SG 2.86Å; C71-A75 WeakPolarHBondContact O-CB 3.33Å; C71-A75 PolarHBondContact O-N 3.25Å
72Y96.9Very high96Very high61 Ų6167.4 Ų67.424%0.23933%0.326CS..Hα-helixtrans-56.8-41.8-174.7-172.2-104.3000114.2D59 A75 K76 V95 K97D59-Y72 PolarHBondContact OD1-N 3.03Å; Y72-A75 PolarHBondContact O-N 2.86Å; Y72-K76 HydrophobicContact CE1-CD 4.23Å; Y72-K76 PolarHBondContact O-N 2.8Å; Y72-K76 WeakPolarHBondContact OH-CE 3.36Å; Y72-K76 PolarHBondContact OH-NZ 2.82Å; Y72-K76 VanDerWaalsContact OH-NZ 3.09Å; Y72-V95 HydrophobicContact CD2-CG1 3.95Å; Y72-V95 HydrophobicContact CE2-CG1 3.97Å; Y72-V95 WeakPolarHBondContact CE2-O 3.09Å; Y72-K97 HydrophobicContact CD1-CD 4.48Å; Y72-K97 HydrophobicContact CD2-CB 3.72Å; Y72-K97 HydrophobicContact CD2-CD 4.45Å; Y72-K97 HydrophobicContact CD2-CG 4.15Å; Y72-K97 HydrophobicContact CE2-CB 3.82Å; Y72-K97 HydrophobicContact CG-CB 4.36Å; Y72-K97 HydrophobicContact CG-CD 4.25Å; Y72-K97 HydrophobicContact CG-CG 4.34Å
73P97.1Very high95.9Very high80 Ų8068.3 Ų68.352%0.51934%0.336SS..Hα-helixtrans-60.4-47.1173.4-2232.3000112.8A75 K76 L77P73-A75 VanDerWaalsContact C-N 3.32Å; P73-A75 PolarHBondContact O-N 2.75Å; P73-K76 PolarHBondContact O-N 3.4Å; P73-L77 PolarHBondContact O-N 3.2Å; P73-L77 VanDerWaalsContact O-N 3.11Å
74C97.4Very high95.8Very high14 Ų1465.4 Ų65.410%0.09533%0.33CS..Hα-helixtrans-64-39177.6-71.80000111.1I52 M70 C71 L77 T78I52-C74 HydrophobicContact CB-CB 4.06Å; I52-C74 HydrophobicContact CD1-CB 4.14Å; I52-C74 HydrophobicContact CG2-CB 4.22Å; M70-C74 HydrophobicContact CB-CB 4.18Å; M70-C74 VanDerWaalsContact CE-C 3.44Å; M70-C74 HydrophobicContact CE-CB 4.33Å; M70-C74 WeakPolarHBondContact CE-O 3.41Å; C71-C74 PolarHBondContact O-N 2.91Å; C71-C74 VanDerWaalsContact O-N 3.12Å; C71-C74 PolarHBondContact SG-SG 2.86Å; C74-L77 WeakPolarHBondContact O-CB 3.44Å; C74-L77 PolarHBondContact O-N 3.03Å; C74-T78 PolarHBondContact O-N 3.43Å; C74-T78 PolarHBondContact O-OG1 3.4Å
75A96.7Very high95.8Very high0 Ų062.3 Ų62.30%031%0.31CS..Hα-helixtrans-63.9-42.1176.700000114S60 F62 M70 C71 Y72 P73 L77 T78 F79 V95S60-A75 WeakPolarHBondContact OG-CB 3.05Å; F62-A75 HydrophobicContact CE1-CB 3.9Å; F62-A75 HydrophobicContact CZ-CB 4.28Å; M70-A75 HydrophobicContact CE-CB 3.74Å; M70-A75 VanDerWaalsContact CE-N 3.32Å; C71-A75 WeakPolarHBondContact O-CB 3.33Å; C71-A75 PolarHBondContact O-N 3.25Å; Y72-A75 PolarHBondContact O-N 2.86Å; P73-A75 VanDerWaalsContact C-N 3.32Å; P73-A75 PolarHBondContact O-N 2.75Å; A75-L77 VanDerWaalsContact C-N 3.3Å; A75-L77 PolarHBondContact O-N 2.9Å; A75-T78 PolarHBondContact O-N 3.43Å; A75-F79 WeakPolarHBondContact O-CB 3.21Å; A75-F79 PolarHBondContact O-N 3.08Å; A75-V95 HydrophobicContact CB-CG1 3.49Å; A75-V95 VanDerWaalsContact CB-CG1 3.49Å; A75-V95 HydrophobicContact CB-CG2 4.5Å
76K96.6Very high95.7Very high80 Ų8064 Ų6435%0.34832%0.32SS..Hα-helixtrans-62.7-38.6171.2-77.2-159.2-177.3176.70112.7Y72 P73 F79 R80Y72-K76 HydrophobicContact CE1-CD 4.23Å; Y72-K76 PolarHBondContact O-N 2.8Å; Y72-K76 WeakPolarHBondContact OH-CE 3.36Å; Y72-K76 PolarHBondContact OH-NZ 2.82Å; Y72-K76 VanDerWaalsContact OH-NZ 3.09Å; P73-K76 PolarHBondContact O-N 3.4Å; K76-F79 PolarHBondContact O-N 2.91Å; K76-R80 WeakPolarHBondContact O-CB 3.3Å; K76-R80 VanDerWaalsContact O-CG 3.28Å; K76-R80 WeakPolarHBondContact O-CG 3.22Å; K76-R80 PolarHBondContact O-N 3.33Å
77L96.5Very high95.6Very high90 Ų9066 Ų6647%0.47132%0.319SS..Hα-helixtrans-62.3-47.5177.1-102.7149.9000111.5P73 C74 A75 R80 K81P73-L77 PolarHBondContact O-N 3.2Å; P73-L77 VanDerWaalsContact O-N 3.11Å; C74-L77 WeakPolarHBondContact O-CB 3.44Å; C74-L77 PolarHBondContact O-N 3.03Å; A75-L77 VanDerWaalsContact C-N 3.3Å; A75-L77 PolarHBondContact O-N 2.9Å; L77-R80 PolarHBondContact O-N 3.5Å; L77-K81 HydrophobicContact CD2-CD 4.35Å; L77-K81 WeakPolarHBondContact O-CB 3.32Å; L77-K81 WeakPolarHBondContact O-CG 3.34Å; L77-K81 PolarHBondContact O-N 3.49Å
78T95.2Very high95.7Very high16 Ų1664.7 Ų64.710%0.09832%0.317CS..Hα-helixtrans-64.1-41.1176.4-59.80000111.9M70 C74 A75 R80 K81 Q82 G83M70-T78 HydrophobicContact CE-CG2 4.37Å; M70-T78 VanDerWaalsContact CE-OG1 3.29Å; M70-T78 WeakPolarHBondContact CE-OG1 3.37Å; C74-T78 PolarHBondContact O-N 3.43Å; C74-T78 PolarHBondContact O-OG1 3.4Å; A75-T78 PolarHBondContact O-N 3.43Å; T78-R80 VanDerWaalsContact C-N 3.34Å; T78-R80 PolarHBondContact O-N 2.98Å; T78-K81 PolarHBondContact O-N 2.96Å; T78-Q82 PolarHBondContact O-N 3.02Å; T78-G83 PolarHBondContact O-N 3.45Å
79F95.8Very high95.8Very high72 Ų7267.8 Ų67.832%0.31633%0.328SS..Hα-helixtrans-59.7-44.2175.4176.8-127.9000111.9A75 K76 G83 I92 V95A75-F79 WeakPolarHBondContact O-CB 3.21Å; A75-F79 PolarHBondContact O-N 3.08Å; K76-F79 PolarHBondContact O-N 2.91Å; F79-G83 VanDerWaalsContact O-CA 3.28Å; F79-G83 WeakPolarHBondContact O-CA 3.24Å; F79-G83 PolarHBondContact O-N 3.31Å; F79-G83 VanDerWaalsContact O-N 3.13Å; F79-I92 HydrophobicContact CD2-CB 3.71Å; F79-I92 HydrophobicContact CD2-CG2 3.54Å; F79-I92 HydrophobicContact CE2-CB 4.09Å; F79-I92 HydrophobicContact CE2-CG2 3.93Å; F79-I92 WeakPolarHBondContact CE2-O 3.4Å; F79-I92 HydrophobicContact CG-CG2 4.26Å; F79-V95 HydrophobicContact CB-CG2 3.71Å; F79-V95 HydrophobicContact CD1-CG2 4.27Å; F79-V95 HydrophobicContact CG-CG2 4.02Å
80R95.6Very high95.9Very high201 Ų20172.8 Ų72.876%0.75835%0.346SS*.Hα-helixtrans-70-34.7178-71.4172.9-179.8177.7-1.1113.7K76 L77 T78K76-R80 WeakPolarHBondContact O-CB 3.3Å; K76-R80 VanDerWaalsContact O-CG 3.28Å; K76-R80 WeakPolarHBondContact O-CG 3.22Å; K76-R80 PolarHBondContact O-N 3.33Å; L77-R80 PolarHBondContact O-N 3.5Å; T78-R80 VanDerWaalsContact C-N 3.34Å; T78-R80 PolarHBondContact O-N 2.98Å
81K95.4Very high96Very high167 Ų16776.9 Ų76.973%0.72637%0.374SS*.Hα-helixtrans-83.8-48.5-175.8-74.4-177.4174.7-175.80113.1L77 T78L77-K81 HydrophobicContact CD2-CD 4.35Å; L77-K81 WeakPolarHBondContact O-CB 3.32Å; L77-K81 WeakPolarHBondContact O-CG 3.34Å; L77-K81 PolarHBondContact O-N 3.49Å; T78-K81 PolarHBondContact O-N 2.96Å
82Q94.3Very high96Very high131 Ų13177.4 Ų77.461%0.61238%0.376SS*.THydrogen-bonded Turntrans-113.7-32.5-171-64.2179.3-3.500112.5T78 V84T78-Q82 PolarHBondContact O-N 3.02Å; Q82-V84 HydrophobicContact CB-CG2 3.94Å; Q82-V84 PolarHBondContact O-N 3.34Å
83G94.2Very high96Very high21 Ų2183 Ų8322%0.21640%0.397CS..  trans66.811-17800000114.8T78 F79 P91 I92T78-G83 PolarHBondContact O-N 3.45Å; F79-G83 VanDerWaalsContact O-CA 3.28Å; F79-G83 WeakPolarHBondContact O-CA 3.24Å; F79-G83 PolarHBondContact O-N 3.31Å; F79-G83 VanDerWaalsContact O-N 3.13Å; G83-P91 WeakPolarHBondContact O-CA 3.41Å; G83-I92 PolarHBondContact O-N 3.22Å
84V96.4Very high96Very high54 Ų5483.2 Ų83.233%0.32739%0.393SS..BIsolated β-bridgetrans-127.7147.8-178.8-67.60000111.8Q82 K90 I92Q82-V84 HydrophobicContact CB-CG2 3.94Å; Q82-V84 PolarHBondContact O-N 3.34Å; V84-K90 WeakPolarHBondContact CA-O 2.98Å; V84-I92 VanDerWaalsContact O-CD1 3.28Å; V84-I92 WeakPolarHBondContact O-CD1 3.47Å
85C96.3Very high96Very high0 Ų082.8 Ų82.80%039%0.391CS..  trans-68.6130.5178.5177.20000110.7F62 C65 I87 R89 K90 I92F62-C85 HydrophobicContact CD2-CB 4.4Å; C65-C85 VanDerWaalsContact SG-SG 3.67Å; C85-I87 PolarHBondContact O-N 3.18Å; C85-I87 PolarHBondContact SG-N 3.38Å; C85-R89 WeakPolarHBondContact O-CA 3.37Å; C85-R89 PolarHBondContact O-N 3.23Å; C85-K90 PolarHBondContact N-O 3.04Å; C85-I92 HydrophobicContact CB-CG1 4.34Å
86P93.6Very high96Very high65 Ų6586.7 Ų86.742%0.42241%0.411SS..THydrogen-bonded Turntrans-67.3-21.9179.527.7-35.2000113.6F62 M70F62-P86 HydrophobicContact CE2-CG 3.75Å; F62-P86 HydrophobicContact CZ-CG 4.16Å; M70-P86 HydrophobicContact SD-CG 3.99Å
87I94.8Very high96Very high89 Ų8987.7 Ų87.746%0.45642%0.415SS..THydrogen-bonded Turntrans-84.4-56.6-179.5-52-165.5000110.8H67 C85H67-I87 HydrophobicContact CB-CB 4.16Å; H67-I87 HydrophobicContact CB-CD1 3.74Å; H67-I87 HydrophobicContact CB-CG1 4.12Å; C85-I87 PolarHBondContact O-N 3.18Å; C85-I87 PolarHBondContact SG-N 3.38Å
88C97.2Very high95.9Very high41 Ų4186.7 Ų86.728%0.27741%0.41SS..THydrogen-bonded Turntrans-113.23.6-170.373.30000114.7H67 K90H67-C88 VanDerWaalsContact CE1-CB 3.41Å; H67-C88 WeakPolarHBondContact CE1-CB 3.35Å; H67-C88 VanDerWaalsContact CE1-SG 3.56Å; H67-C88 PolarHBondContact ND1-SG 3.09Å; C88-K90 PolarHBondContact O-N 3.43Å
89R95.8Very high95.7Very high212 Ų21293.6 Ų93.680%0.844%0.439SS*.  trans57.614.8177.6-52.5-177.2-177.7-151.70.4115.7C85C85-R89 WeakPolarHBondContact O-CA 3.37Å; C85-R89 PolarHBondContact O-N 3.23Å
90K96.5Very high95.2Very high126 Ų12697.2 Ų97.255%0.54845%0.454SS..PPolyproline II helixtrans-75.8147.5174-68.8-179.8-177.7177.30110C65 V84 C85 C88 I92C65-K90 HydrophobicContact CB-CD 4.33Å; V84-K90 WeakPolarHBondContact CA-O 2.98Å; C85-K90 PolarHBondContact N-O 3.04Å; C88-K90 PolarHBondContact O-N 3.43Å; K90-I92 PolarHBondContact O-N 3.48Å
91P97Very high94.5Very high92 Ų9296.8 Ų96.860%0.59748%0.482SS*.BIsolated β-bridgetrans-62.813417726.3-33.8000110.6G83G83-P91 WeakPolarHBondContact O-CA 3.41Å
92I97.4Very high94.5Very high13 Ų1393.3 Ų93.37%0.06747%0.47CS..PPolyproline II helixtrans-84.4133.4176.4-57.6166.1000107.5F62 F79 G83 V84 C85 K90 D94 V95F62-I92 HydrophobicContact CB-CG1 4.16Å; F62-I92 HydrophobicContact CB-CG2 4.41Å; F62-I92 HydrophobicContact CD1-CD1 3.42Å; F62-I92 VanDerWaalsContact CD1-CD1 3.42Å; F62-I92 HydrophobicContact CD1-CG1 3.96Å; F62-I92 HydrophobicContact CD1-CG2 4.11Å; F62-I92 HydrophobicContact CE1-CD1 3.67Å; F62-I92 HydrophobicContact CG-CD1 4Å; F62-I92 HydrophobicContact CG-CG1 4.19Å; F62-I92 HydrophobicContact CZ-CD1 4.44Å; F79-I92 HydrophobicContact CD2-CB 3.71Å; F79-I92 HydrophobicContact CD2-CG2 3.54Å; F79-I92 HydrophobicContact CE2-CB 4.09Å; F79-I92 HydrophobicContact CE2-CG2 3.93Å; F79-I92 WeakPolarHBondContact CE2-O 3.4Å; F79-I92 HydrophobicContact CG-CG2 4.26Å; G83-I92 PolarHBondContact O-N 3.22Å; V84-I92 VanDerWaalsContact O-CD1 3.28Å; V84-I92 WeakPolarHBondContact O-CD1 3.47Å; C85-I92 HydrophobicContact CB-CG1 4.34Å; K90-I92 PolarHBondContact O-N 3.48Å; I92-D94 WeakPolarHBondContact CG2-O 3.43Å; I92-V95 HydrophobicContact CG2-CG2 4.31Å
93R96.4Very high94.5Very high179 Ų17991.3 Ų91.368%0.67546%0.462SS*.SBendtrans-99.6-37.4171.9-70.9-178.9-177178.4-0.5111.8Y63Y63-R93 HydrophobicContact CD1-CB 3.86Å; Y63-R93 HydrophobicContact CE1-CB 4.37Å; Y63-R93 PolarHBondContact O-N 3.48Å
94D96.4Very high94.5Very high84 Ų8495.2 Ų95.245%0.44948%0.476SS..EExtended strand (participates in β ladder)trans-152.2159.8178.1-157.90.4000111.3Y63 I92Y63-D94 HydrophobicContact CD1-CB 4.49Å; Y63-D94 PolarHBondContact N-O 3.28Å; I92-D94 WeakPolarHBondContact CG2-O 3.43Å
95V97.3Very high94.4Very high6 Ų697.6 Ų97.64%0.03649%0.485CS..EExtended strand (participates in β ladder)trans-113.2111.5175.4179.70000108.5F62 Y72 A75 F79 I92F62-V95 HydrophobicContact CD1-CG2 4.29Å; F62-V95 HydrophobicContact CE1-CG2 4.49Å; Y72-V95 HydrophobicContact CD2-CG1 3.95Å; Y72-V95 HydrophobicContact CE2-CG1 3.97Å; Y72-V95 WeakPolarHBondContact CE2-O 3.09Å; A75-V95 HydrophobicContact CB-CG1 3.49Å; A75-V95 VanDerWaalsContact CB-CG1 3.49Å; A75-V95 HydrophobicContact CB-CG2 4.5Å; F79-V95 HydrophobicContact CB-CG2 3.71Å; F79-V95 HydrophobicContact CD1-CG2 4.27Å; F79-V95 HydrophobicContact CG-CG2 4.02Å; I92-V95 HydrophobicContact CG2-CG2 4.31Å
96L96.9Very high94.2Very high82 Ų82103.8 Ų103.843%0.42952%0.515SS..EExtended strand (participates in β ladder)trans-93.2136.7-178.4-54.8178.6000109.8S60 A61S60-L96 CarbonylContact C-O 3.54Å; S60-L96 WeakPolarHBondContact CA-O 3.11Å; S60-L96 WeakPolarHBondContact CB-O 3.38Å; A61-L96 PolarHBondContact N-O 3.08Å; A61-L96 PolarHBondContact O-N 3.11Å
97K96Very high94.3Very high100 Ų100106.3 Ų106.344%0.43552%0.521SS..EExtended strand (participates in β ladder)trans-88.9127.5172.4-169169.8-179.2172.70109.7D59 Y72 F99D59-K97 CarbonylContact O-C 3.55Å; D59-K97 WeakPolarHBondContact O-CA 3.16Å; D59-K97 WeakPolarHBondContact O-CG 3.38Å; D59-K97 WeakPolarHBondContact OD2-CE 3.27Å; D59-K97 IonicContact OD2-NZ 3.74Å; Y72-K97 HydrophobicContact CD1-CD 4.48Å; Y72-K97 HydrophobicContact CD2-CB 3.72Å; Y72-K97 HydrophobicContact CD2-CD 4.45Å; Y72-K97 HydrophobicContact CD2-CG 4.15Å; Y72-K97 HydrophobicContact CE2-CB 3.82Å; Y72-K97 HydrophobicContact CG-CB 4.36Å; Y72-K97 HydrophobicContact CG-CD 4.25Å; Y72-K97 HydrophobicContact CG-CG 4.34Å; K97-F99 HydrophobicContact CB-CE2 4.25Å; K97-F99 HydrophobicContact CB-CZ 4.49Å; K97-F99 HydrophobicContact CD-CE1 4.17Å; K97-F99 HydrophobicContact CD-CE2 4.31Å; K97-F99 HydrophobicContact CD-CZ 3.71Å; K97-F99 HydrophobicContact CG-CE1 4.49Å; K97-F99 HydrophobicContact CG-CE2 4.09Å; K97-F99 HydrophobicContact CG-CZ 3.98Å
98I94.4Very high94.2Very high69 Ų69107.6 Ų107.635%0.35453%0.526SS..PPolyproline II helixtrans-96.8134.1179-59.1163000108.7D59 A61D59-I98 PolarHBondContact O-N 2.98Å; A61-I98 HydrophobicContact CB-CD1 3.71Å; A61-I98 HydrophobicContact CB-CG1 4.29Å
99F92.8Very high94Very high161 Ų161112.7 Ų112.771%0.70655%0.545SS*.  trans-115.5122.8171.5-59.6-88.1000108K97K97-F99 HydrophobicContact CB-CE2 4.25Å; K97-F99 HydrophobicContact CB-CZ 4.49Å; K97-F99 HydrophobicContact CD-CE1 4.17Å; K97-F99 HydrophobicContact CD-CE2 4.31Å; K97-F99 HydrophobicContact CD-CZ 3.71Å; K97-F99 HydrophobicContact CG-CE1 4.49Å; K97-F99 HydrophobicContact CG-CE2 4.09Å; K97-F99 HydrophobicContact CG-CZ 3.98Å
100K84.3Confident93.9Very high149 Ų149104.4 Ų104.465%0.64852%0.524SS*.  trans-82.7130.1173.3-62.2-173.5-176.3-1720108D48D48-K100 IonicContact OD1-NZ 2.68Å; D48-K100 PolarHBondContact OD1-NZ 2.68Å; D48-K100 IonicContact OD2-NZ 2.76Å; D48-K100 PolarHBondContact OD2-NZ 3.21Å
101S81.2Confident93.6Very high192 Ų192102.5 Ų102.5100%1.34352%0.522SS*.  trans-82.60-179.961.60000112.7

Retrieved 101 of 101 residues in 254.4 ms (Link to these results)