A0A087XUV3_POEFO Loading...

Large ribosomal subunit protein uL11

Component of the large ribosomal subunit. The ribosome is a large ribonucleoprotein complex responsible for the synthesis of proteins in the cell. Binds directly to 26S ribosomal RNA.

AlphaFold DB , UniProt , Accession A0A087XUV3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 196 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
1M46.3Very low43.2Very low246 Ų246143.1 Ų143.1100%1.21279%0.789SS**  066.40-64.6-71.9-101.300111
2S50.2Low43.3Very low107 Ų107145.3 Ų145.375%0.74878%0.784SS**  trans-15139.3-165.6-165.30000115.7
3K46.1Very low42.8Very low196 Ų196147.3 Ų147.385%0.85278%0.782SS**SBendtrans-132.5-7.6176-68.4-173.8179.7175.70115.8
4I50.8Low43.1Very low147 Ų147145.3 Ų145.375%0.75478%0.777SS**SBendtrans-96.9-28.7-175-60.5169000112.2K6I4-K6 VanDerWaalsContact C-N 3.35Å; I4-K6 PolarHBondContact O-N 3.25Å
5S41.5Very low43.3Very low99 Ų99141.3 Ų141.369%0.69276%0.756SS**THydrogen-bonded Turntrans-73.7-20.5-177.555.40000114.7
6K39.2Very low43.7Very low189 Ų189140.2 Ų140.282%0.82276%0.756SS**THydrogen-bonded Turntrans-80.9-21.6-179.7-143.6172.4-174.1175.10112.9I4I4-K6 VanDerWaalsContact C-N 3.35Å; I4-K6 PolarHBondContact O-N 3.25Å
7A42.4Very low44.5Very low74 Ų74135.4 Ų135.461%0.61275%0.747SS**THydrogen-bonded Turntrans-82.1-22-178.700000113.7K9A7-K9 VanDerWaalsContact C-N 3.28Å; A7-K9 PolarHBondContact O-N 3.38Å
8V40.3Very low45.9Very low110 Ų110129.8 Ų129.867%0.66772%0.716SS**G310 helixtrans-74.9-18.2179.8-177.40000112.4A10V8-A10 VanDerWaalsContact C-N 3.26Å; V8-A10 PolarHBondContact O-N 3.38Å
9K38.2Very low47.7Very low196 Ų196126.2 Ų126.285%0.85270%0.697SS**G310 helixtrans-81.81.4-179.6-151.3170.9-176.9174.80114.1A7A7-K9 VanDerWaalsContact C-N 3.28Å; A7-K9 PolarHBondContact O-N 3.38Å
10A42.4Very low49.4Very low88 Ų88120.5 Ų120.573%0.72767%0.666SS**G310 helixtrans-97.620.1179.500000113.8V8 K12V8-A10 VanDerWaalsContact C-N 3.26Å; V8-A10 PolarHBondContact O-N 3.38Å; A10-K12 PolarHBondContact O-N 3.41Å
11V37.5Very low51Low122 Ų122124.3 Ų124.374%0.73967%0.67SS**SBendtrans-81.2108.7164.8-178.40000107.2K13V11-K13 PolarHBondContact O-N 3.09Å
12K45.3Very low52.8Low169 Ų169113.3 Ų113.374%0.73562%0.619SS**  trans-40.5112.7171.8-102.5171.8174.4168.90109.1A10 V14A10-K12 PolarHBondContact O-N 3.41Å; K12-V14 PolarHBondContact O-N 2.98Å
13K36.8Very low54.5Low172 Ų172113.9 Ų113.975%0.74861%0.612SS**  trans-55.2107.2161.9-136.1178.6-174.2-178.60105.4V11 D15V11-K13 PolarHBondContact O-N 3.09Å; K13-D15 PolarHBondContact O-N 3.27Å
14V46.3Very low56.3Low119 Ų119105 Ų10572%0.72157%0.574SS**  trans-74.388.2172.9178.50000104.9K12 T16K12-V14 PolarHBondContact O-N 2.98Å; V14-T16 PolarHBondContact O-N 3.43Å; V14-T16 PolarHBondContact O-OG1 3.35Å
15D46Very low57.9Low85 Ų85105.4 Ų105.446%0.45557%0.566SS.*  trans-70.786.7171.2-66.7-50.2000107.5K13 G17 N18K13-D15 PolarHBondContact O-N 3.27Å; D15-G17 PolarHBondContact O-N 2.72Å; D15-N18 PolarHBondContact O-N 3.18Å
16T50.7Low59.8Low124 Ų124100.7 Ų100.776%0.76153%0.533SS*.THydrogen-bonded Turntrans-60.2-8.9-179.6-29.40000112.9V14V14-T16 PolarHBondContact O-N 3.43Å; V14-T16 PolarHBondContact O-OG1 3.35Å
17G56.4Low61.4Low58 Ų5893.2 Ų93.260%0.59851%0.51SS*.THydrogen-bonded Turntrans-92.48.2179.300000116.4D15 K42D15-G17 PolarHBondContact O-N 2.72Å; G17-K42 PolarHBondContact O-NZ 2.54Å; G17-K42 VanDerWaalsContact O-NZ 3.17Å
18N70.6Confident63.1Low35 Ų3595.1 Ų95.119%0.18751%0.506CS..  trans-105.626.8-175.5-103.712.8000114.8D15 K42 V72D15-N18 PolarHBondContact O-N 3.18Å; N18-K42 PolarHBondContact OD1-NZ 2.89Å; N18-V72 HydrophobicContact CB-CB 4.02Å; N18-V72 VanDerWaalsContact CB-O 3.29Å; N18-V72 WeakPolarHBondContact CB-O 3.43Å; N18-V72 PolarHBondContact ND2-O 3.1Å; N18-V72 PolarHBondContact O-N 3.46Å
19V79.4Confident64.7Low61 Ų6190.4 Ų90.437%0.3748%0.479SS..EExtended strand (participates in β ladder)trans-106.2114.5174.5-1700000109.9I70 H71V19-I70 CarbonylContact C-O 3.51Å; V19-I70 WeakPolarHBondContact CA-O 3.46Å; V19-H71 WeakPolarHBondContact CG2-ND1 3.29Å
20I81.9Confident66.4Low13 Ų1383.9 Ų83.97%0.06746%0.461CS..EExtended strand (participates in β ladder)trans-93.8130.7173.8-52.9168.4000108.1I38 L39 K42 I44 K69 I70 V72I20-I38 HydrophobicContact CD1-CG2 4.4Å; I20-I38 HydrophobicContact CG2-CG2 3.58Å; I20-L39 HydrophobicContact CD1-CD2 3.79Å; I20-K42 HydrophobicContact CD1-CB 4.12Å; I20-K42 HydrophobicContact CD1-CG 3.86Å; I20-K42 HydrophobicContact CG1-CG 4.38Å; I20-I44 HydrophobicContact CD1-CD1 3.76Å; I20-K69 WeakPolarHBondContact O-CA 3.46Å; I20-I70 HydrophobicContact CB-CB 4.16Å; I20-I70 HydrophobicContact CB-CD1 4.45Å; I20-I70 PolarHBondContact N-O 2.98Å; I20-I70 PolarHBondContact O-N 2.88Å; I20-V72 HydrophobicContact CD1-CG2 4.1Å; I20-V72 HydrophobicContact CG1-CG2 4.45Å
21R83.6Confident67.7Low200 Ų20084 Ų8476%0.75546%0.455SS*.EExtended strand (participates in β ladder)trans-112.5121172.1-60.3-178.3-175.1-178.53.2108I68R21-I68 WeakPolarHBondContact CA-O 3.17Å
22A83.9Confident69.5Low16 Ų1679.4 Ų79.413%0.13243%0.432CS..EExtended strand (participates in β ladder)trans-136.8160175.900000109.9V24 L35 I68A22-V24 HydrophobicContact CB-CG2 4.46Å; A22-L35 HydrophobicContact CB-CD2 3.77Å; A22-I68 HydrophobicContact CB-CD1 4.01Å; A22-I68 HydrophobicContact CB-CG1 3.86Å; A22-I68 PolarHBondContact N-O 3.43Å; A22-I68 WeakPolarHBondContact O-CG1 3.07Å; A22-I68 PolarHBondContact O-N 3.03Å
23I85.1Confident70.7Confident118 Ų11876.9 Ų76.961%0.60543%0.433SS*.EExtended strand (participates in β ladder)trans-114121.7172.9-59.2173.8000106.4P65I23-P65 HydrophobicContact CG2-CB 3.79Å
24V83.7Confident72.4Confident9 Ų973.4 Ų73.46%0.05543%0.428CS..EExtended strand (participates in β ladder)trans-127139.7-176.1-172.30000108.8A22 A29 L35 F53 L66 I68A22-V24 HydrophobicContact CB-CG2 4.46Å; V24-A29 HydrophobicContact CG1-CB 4.25Å; V24-L35 HydrophobicContact CG1-CD1 3.98Å; V24-L35 HydrophobicContact CG2-CD1 3.64Å; V24-L35 HydrophobicContact CG2-CD2 3.74Å; V24-L35 HydrophobicContact CG2-CG 4.18Å; V24-F53 HydrophobicContact CB-CE1 4.11Å; V24-F53 HydrophobicContact CB-CE2 4.24Å; V24-F53 HydrophobicContact CB-CZ 3.71Å; V24-F53 HydrophobicContact CG1-CD1 4.24Å; V24-F53 HydrophobicContact CG1-CE1 3.56Å; V24-F53 HydrophobicContact CG1-CZ 3.71Å; V24-L66 PolarHBondContact N-O 3.22Å; V24-L66 PolarHBondContact O-N 3.38Å; V24-I68 HydrophobicContact CG2-CD1 3.52Å; V24-I68 HydrophobicContact CG2-CG1 4.04Å
25R84.6Confident73.8Confident157 Ų15768.2 Ų68.259%0.59240%0.396SS*.EExtended strand (participates in β ladder)trans-75.3131.7174.3-65.4-178.4-176.7173-0.1109.2Q28 I64R25-Q28 HydrophobicContact CB-CB 4.45Å; R25-Q28 PolarHBondContact O-N 2.86Å; R25-I64 WeakPolarHBondContact CA-O 3.45Å
26S81.5Confident75.4Confident0 Ų064.7 Ų64.70%038%0.38CS..THydrogen-bonded Turntrans-54.8140.1174.850.80000111.2Q28 K61 G63 I64S26-Q28 PolarHBondContact O-N 3.18Å; S26-K61 PolarHBondContact OG-O 2.97Å; S26-G63 PolarHBondContact O-N 2.85Å; S26-G63 PolarHBondContact OG-N 3.4Å; S26-G63 VanDerWaalsContact OG-N 3.11Å; S26-I64 PolarHBondContact N-O 3.44Å; S26-I64 PolarHBondContact OG-N 3.06Å; S26-I64 PolarHBondContact OG-O 3.48Å
27G73.2Confident76.9Confident32 Ų3262.6 Ų62.633%0.3337%0.368SS..THydrogen-bonded Turntrans71.1-9.6178.200000116.2T57G27-T57 PolarHBondContact N-OG1 3.05Å
28Q77Confident78.1Confident114 Ų11463.5 Ų63.553%0.53336%0.358SS..  trans-121.438.9-176.2-64.2-176.6-2.100112.6R25 S26 A30R25-Q28 HydrophobicContact CB-CB 4.45Å; R25-Q28 PolarHBondContact O-N 2.86Å; S26-Q28 PolarHBondContact O-N 3.18Å; Q28-A30 PolarHBondContact O-N 3.01Å; Q28-A30 VanDerWaalsContact O-N 3.1Å
29A74Confident78.6Confident11 Ų1161.9 Ų61.99%0.09135%0.35CS..  trans-72.410617100000110.5V24 C50 F53 N54V24-A29 HydrophobicContact CG1-CB 4.25Å; A29-C50 HydrophobicContact CB-CB 4.26Å; A29-F53 HydrophobicContact CB-CB 4.45Å; A29-F53 HydrophobicContact CB-CD1 3.49Å; A29-F53 VanDerWaalsContact CB-CD1 3.49Å; A29-F53 HydrophobicContact CB-CE1 4.1Å; A29-F53 HydrophobicContact CB-CG 4.28Å; A29-N54 WeakPolarHBondContact CB-OD1 2.98Å; A29-N54 PolarHBondContact N-OD1 3.32Å
30A75.6Confident78.7Confident59 Ų5960.9 Ų60.949%0.48835%0.352SS..  trans-107.2145.6172.300000110.7Q28 G32Q28-A30 PolarHBondContact O-N 3.01Å; Q28-A30 VanDerWaalsContact O-N 3.1Å; A30-G32 PolarHBondContact O-N 2.91Å
31P68.6Low78.7Confident90 Ų9068.4 Ų68.458%0.58439%0.387SS*.SBendtrans-70.523.317830.6-36.4000114.2I46P31-I46 HydrophobicContact CB-CG2 3.58Å
32G75.3Confident78.4Confident26 Ų2662.5 Ų62.527%0.26837%0.367SS..SBendtrans-82.5-172.1-172.400000115.6A30 P34 L35 G36A30-G32 PolarHBondContact O-N 2.91Å; G32-P34 WeakPolarHBondContact O-CD 3.47Å; G32-P34 VanDerWaalsContact O-N 3.1Å; G32-L35 PolarHBondContact O-N 3.47Å; G32-L35 VanDerWaalsContact O-N 3.12Å; G32-G36 PolarHBondContact O-N 2.94Å
33P70.2Confident78Confident116 Ų11663.6 Ų63.675%0.75338%0.379SS*.THydrogen-bonded Turntrans-51.4-30.3-170.3-27.334.3000118.6P37P33-P37 WeakPolarHBondContact O-CD 3.33Å; P33-P37 VanDerWaalsContact O-CG 3.29Å; P33-P37 WeakPolarHBondContact O-CG 3.32Å
34P73.6Confident77.8Confident98 Ų9858.3 Ų58.364%0.63635%0.352SS*.THydrogen-bonded Turntrans-78.2-25.9179.128.7-34.6000113.8G32 I38G32-P34 WeakPolarHBondContact O-CD 3.47Å; G32-P34 VanDerWaalsContact O-N 3.1Å; P34-I38 WeakPolarHBondContact O-CD1 3.42Å
35L75.9Confident77.8Confident10 Ų1060.4 Ų60.45%0.05237%0.366CS..THydrogen-bonded Turntrans-114.2-39.2-175.9-70.4173.2000112.3A22 V24 G32 I38 L39 F49A22-L35 HydrophobicContact CB-CD2 3.77Å; V24-L35 HydrophobicContact CG1-CD1 3.98Å; V24-L35 HydrophobicContact CG2-CD1 3.64Å; V24-L35 HydrophobicContact CG2-CD2 3.74Å; V24-L35 HydrophobicContact CG2-CG 4.18Å; G32-L35 PolarHBondContact O-N 3.47Å; G32-L35 VanDerWaalsContact O-N 3.12Å; L35-I38 PolarHBondContact O-N 3.42Å; L35-L39 HydrophobicContact CB-CD1 4.06Å; L35-L39 VanDerWaalsContact O-CB 3.31Å; L35-L39 WeakPolarHBondContact O-CB 3.4Å; L35-L39 WeakPolarHBondContact O-CG 3.39Å; L35-L39 PolarHBondContact O-N 3.15Å; L35-F49 HydrophobicContact CD1-CE1 4.37Å
36G78.1Confident77.7Confident11 Ų1155 Ų5511%0.11335%0.349CS..Hα-helixtrans-55.2-53.2-176.500000113.7G32 I38 G40G32-G36 PolarHBondContact O-N 2.94Å; G36-I38 PolarHBondContact O-N 3.35Å; G36-G40 WeakPolarHBondContact O-CA 3.31Å; G36-G40 PolarHBondContact O-N 3.22Å
37P82.2Confident77.7Confident80 Ų8057.4 Ų57.452%0.51937%0.373SS..Hα-helixtrans-63.2-42.9179.9-24.235.1000113.1P33 Q41P33-P37 WeakPolarHBondContact O-CD 3.33Å; P33-P37 VanDerWaalsContact O-CG 3.29Å; P33-P37 WeakPolarHBondContact O-CG 3.32Å; P37-Q41 WeakPolarHBondContact O-CB 3.46Å; P37-Q41 PolarHBondContact O-N 3.37Å
38I82.1Confident78.3Confident77 Ų7761.5 Ų61.540%0.39538%0.384SS..Hα-helixtrans-68.9-43.9-175.9-57.6179.8000110.9I20 P34 L35 G36I20-I38 HydrophobicContact CD1-CG2 4.4Å; I20-I38 HydrophobicContact CG2-CG2 3.58Å; P34-I38 WeakPolarHBondContact O-CD1 3.42Å; L35-I38 PolarHBondContact O-N 3.42Å; G36-I38 PolarHBondContact O-N 3.35Å
39L81.1Confident78.6Confident1 Ų156.1 Ų56.11%0.00536%0.358CS..Hα-helixtrans-73.7-36.5178.4-62.1175.1000111.7I20 L35 K42 G43 I44 I46 F49 I70I20-L39 HydrophobicContact CD1-CD2 3.79Å; L35-L39 HydrophobicContact CB-CD1 4.06Å; L35-L39 VanDerWaalsContact O-CB 3.31Å; L35-L39 WeakPolarHBondContact O-CB 3.4Å; L35-L39 WeakPolarHBondContact O-CG 3.39Å; L35-L39 PolarHBondContact O-N 3.15Å; L39-K42 CarbonylContact O-C 3.58Å; L39-K42 PolarHBondContact O-N 3.48Å; L39-G43 PolarHBondContact O-N 3.1Å; L39-I44 HydrophobicContact CB-CB 4.41Å; L39-I44 HydrophobicContact CD2-CD1 3.82Å; L39-I44 PolarHBondContact O-N 2.88Å; L39-I44 VanDerWaalsContact O-N 3.14Å; L39-I46 HydrophobicContact CB-CG1 4.17Å; L39-F49 HydrophobicContact CD1-CD1 3.6Å; L39-F49 HydrophobicContact CD1-CE1 3.92Å; L39-F49 HydrophobicContact CD1-CG 4.04Å; L39-I70 HydrophobicContact CD2-CD1 3.4Å; L39-I70 VanDerWaalsContact CD2-CD1 3.4Å
40G81Confident79.2Confident40 Ų4056.1 Ų56.141%0.41236%0.358SS..Hα-helixtrans-64.7-42.3177.100000112.8G36 K42 G43G36-G40 WeakPolarHBondContact O-CA 3.31Å; G36-G40 PolarHBondContact O-N 3.22Å; G40-K42 PolarHBondContact O-N 3.28Å; G40-K42 VanDerWaalsContact O-N 3.16Å; G40-G43 PolarHBondContact O-N 3.06Å
41Q81.6Confident79.6Confident171 Ų17160.1 Ų60.180%0.79936%0.364SS*.Hα-helixtrans-60.2-27.1175.2-167.7-179.717.400112.5P37P37-Q41 WeakPolarHBondContact O-CB 3.46Å; P37-Q41 PolarHBondContact O-N 3.37Å
42K77.4Confident80.5Confident77 Ų7758.5 Ų58.534%0.33535%0.351SS..THydrogen-bonded Turntrans-95.30.8179-65.9-67.5-166.61680113.5G17 N18 I20 L39 G40 I44G17-K42 PolarHBondContact O-NZ 2.54Å; G17-K42 VanDerWaalsContact O-NZ 3.17Å; N18-K42 PolarHBondContact OD1-NZ 2.89Å; I20-K42 HydrophobicContact CD1-CB 4.12Å; I20-K42 HydrophobicContact CD1-CG 3.86Å; I20-K42 HydrophobicContact CG1-CG 4.38Å; L39-K42 CarbonylContact O-C 3.58Å; L39-K42 PolarHBondContact O-N 3.48Å; G40-K42 PolarHBondContact O-N 3.28Å; G40-K42 VanDerWaalsContact O-N 3.16Å; K42-I44 VanDerWaalsContact C-N 3.34Å; K42-I44 HydrophobicContact CB-CD1 4.25Å; K42-I44 HydrophobicContact CB-CG1 4.25Å; K42-I44 PolarHBondContact O-N 2.83Å
43G75.8Confident81Confident39 Ų3957.3 Ų57.340%0.40234%0.338SS..THydrogen-bonded Turntrans70.726175.700000114.4L39 G40L39-G43 PolarHBondContact O-N 3.1Å; G40-G43 PolarHBondContact O-N 3.06Å
44I81.1Confident81.7Confident7 Ų753.9 Ų53.94%0.03631%0.313CS..  trans-87136.2179.3-58.3172.7000109.4I20 L39 K42 I46 I70 V72 Y78I20-I44 HydrophobicContact CD1-CD1 3.76Å; L39-I44 HydrophobicContact CB-CB 4.41Å; L39-I44 HydrophobicContact CD2-CD1 3.82Å; L39-I44 PolarHBondContact O-N 2.88Å; L39-I44 VanDerWaalsContact O-N 3.14Å; K42-I44 VanDerWaalsContact C-N 3.34Å; K42-I44 HydrophobicContact CB-CD1 4.25Å; K42-I44 HydrophobicContact CB-CG1 4.25Å; K42-I44 PolarHBondContact O-N 2.83Å; I44-I46 PolarHBondContact O-N 2.73Å; I44-I70 HydrophobicContact CD1-CG2 4.01Å; I44-V72 HydrophobicContact CD1-CG2 3.53Å; I44-V72 HydrophobicContact CG1-CG1 4.39Å; I44-V72 HydrophobicContact CG1-CG2 4.24Å; I44-Y78 HydrophobicContact CG2-CD1 3.58Å; I44-Y78 HydrophobicContact CG2-CE1 4.03Å; I44-Y78 HydrophobicContact CG2-CG 4.11Å
45P83.3Confident82.4Confident53 Ų5354.8 Ų54.834%0.34431%0.309SS..  trans-67.3101.7173.925.8-32.4000111.3G47 Q48 F49 Y78P45-G47 VanDerWaalsContact C-N 3.31Å; P45-G47 PolarHBondContact O-N 3.35Å; P45-Q48 HydrophobicContact CB-CB 4.26Å; P45-Q48 HydrophobicContact CB-CG 4.29Å; P45-Q48 HydrophobicContact CG-CB 4.27Å; P45-Q48 PolarHBondContact O-N 3.41Å; P45-F49 PolarHBondContact O-N 3.06Å; P45-F49 VanDerWaalsContact O-N 3.1Å; P45-Y78 HydrophobicContact CG-CE1 4.16Å
46I82.4Confident82.7Confident44 Ų4459.6 Ų59.623%0.22633%0.33CS..Hα-helixtrans-60.2-40.1-174.9-52.4164.5000111.5P31 L39 I44 Q48 F49 C50P31-I46 HydrophobicContact CB-CG2 3.58Å; L39-I46 HydrophobicContact CB-CG1 4.17Å; I44-I46 PolarHBondContact O-N 2.73Å; I46-Q48 PolarHBondContact O-N 3.36Å; I46-F49 PolarHBondContact O-N 3.24Å; I46-C50 PolarHBondContact O-N 3.35Å; I46-C50 PolarHBondContact O-SG 3.04Å; I46-C50 VanDerWaalsContact O-SG 3.34Å
47G82.5Confident82.9Confident50 Ų5059.1 Ų59.152%0.51533%0.325SS..Hα-helixtrans-66.2-36-178.900000113.9P45 K51P45-G47 VanDerWaalsContact C-N 3.31Å; P45-G47 PolarHBondContact O-N 3.35Å; G47-K51 WeakPolarHBondContact O-CG 3.37Å; G47-K51 PolarHBondContact O-N 3.34Å
48Q84.8Confident82.7Confident118 Ų11862.5 Ų62.555%0.55133%0.331SS*.Hα-helixtrans-71.8-43.8174.8-69.7176.3-15.300110.2P45 I46 C50 K51 D52 Y78P45-Q48 HydrophobicContact CB-CB 4.26Å; P45-Q48 HydrophobicContact CB-CG 4.29Å; P45-Q48 HydrophobicContact CG-CB 4.27Å; P45-Q48 PolarHBondContact O-N 3.41Å; I46-Q48 PolarHBondContact O-N 3.36Å; Q48-C50 PolarHBondContact O-N 3.11Å; Q48-K51 PolarHBondContact O-N 2.65Å; Q48-K51 VanDerWaalsContact O-N 3.15Å; Q48-D52 VanDerWaalsContact O-CG 3.32Å; Q48-D52 PolarHBondContact O-N 2.94Å; Q48-Y78 VanDerWaalsContact C-OH 3.31Å
49F84.9Confident82.4Confident0 Ų067.8 Ų67.80%035%0.354CS..Hα-helixtrans-56.7-46.5176.7173.6-92000113L35 L39 P45 I46 K51 D52 F53 I68 I70 Y78 L80L35-F49 HydrophobicContact CD1-CE1 4.37Å; L39-F49 HydrophobicContact CD1-CD1 3.6Å; L39-F49 HydrophobicContact CD1-CE1 3.92Å; L39-F49 HydrophobicContact CD1-CG 4.04Å; P45-F49 PolarHBondContact O-N 3.06Å; P45-F49 VanDerWaalsContact O-N 3.1Å; I46-F49 PolarHBondContact O-N 3.24Å; F49-K51 VanDerWaalsContact C-N 3.31Å; F49-K51 PolarHBondContact O-N 3.4Å; F49-D52 PolarHBondContact O-N 2.89Å; F49-F53 HydrophobicContact CE1-CB 4.47Å; F49-F53 HydrophobicContact CZ-CB 4.41Å; F49-F53 VanDerWaalsContact O-CB 3.26Å; F49-F53 WeakPolarHBondContact O-CB 3.38Å; F49-F53 PolarHBondContact O-N 3.34Å; F49-I68 HydrophobicContact CE1-CD1 4.39Å; F49-I68 HydrophobicContact CE2-CD1 4.28Å; F49-I68 HydrophobicContact CZ-CD1 3.5Å; F49-I68 VanDerWaalsContact CZ-CD1 3.5Å; F49-I70 HydrophobicContact CD2-CD1 4.17Å; F49-I70 HydrophobicContact CE2-CD1 3.45Å; F49-I70 VanDerWaalsContact CE2-CD1 3.45Å; F49-I70 HydrophobicContact CE2-CG1 3.93Å; F49-I70 HydrophobicContact CZ-CD1 3.81Å; F49-Y78 WeakPolarHBondContact CA-OH 3.34Å; F49-Y78 HydrophobicContact CD2-CD2 4.33Å; F49-Y78 HydrophobicContact CD2-CE2 4.06Å; F49-Y78 PolarHBondContact N-OH 3.25Å; F49-L80 HydrophobicContact CE2-CD1 3.91Å; F49-L80 HydrophobicContact CE2-CD2 4.14Å; F49-L80 HydrophobicContact CE2-CG 4.49Å; F49-L80 HydrophobicContact CZ-CD1 4.47Å
50C84.9Confident82Confident11 Ų1171.1 Ų71.17%0.07437%0.372CS..Hα-helixtrans-63.2-37.1179-70.30000112.2A29 I46 Q48 N54A29-C50 HydrophobicContact CB-CB 4.26Å; I46-C50 PolarHBondContact O-N 3.35Å; I46-C50 PolarHBondContact O-SG 3.04Å; I46-C50 VanDerWaalsContact O-SG 3.34Å; Q48-C50 PolarHBondContact O-N 3.11Å; C50-N54 VanDerWaalsContact O-CB 3.32Å; C50-N54 WeakPolarHBondContact O-CB 3.44Å; C50-N54 PolarHBondContact O-N 3.33Å; C50-N54 PolarHBondContact O-ND2 3.14Å
51K85.6Confident81.6Confident143 Ų14377.6 Ų77.662%0.62239%0.388SS*.Hα-helixtrans-68-51.3176.6-71.2179.2-178.6-173.50111.4G47 Q48 F49 F53 N54 E55G47-K51 WeakPolarHBondContact O-CG 3.37Å; G47-K51 PolarHBondContact O-N 3.34Å; Q48-K51 PolarHBondContact O-N 2.65Å; Q48-K51 VanDerWaalsContact O-N 3.15Å; F49-K51 VanDerWaalsContact C-N 3.31Å; F49-K51 PolarHBondContact O-N 3.4Å; K51-F53 VanDerWaalsContact C-N 3.28Å; K51-F53 PolarHBondContact O-N 2.95Å; K51-N54 PolarHBondContact O-N 2.99Å; K51-E55 WeakPolarHBondContact O-CB 3.42Å; K51-E55 WeakPolarHBondContact O-CG 3.37Å; K51-E55 PolarHBondContact O-N 3.49Å
52D87.1Confident81.2Confident57 Ų5777 Ų7731%0.30539%0.386SS..Hα-helixtrans-59.2-40.4179-67.1-0.4000111.9Q48 F49 K56 Y78Q48-D52 VanDerWaalsContact O-CG 3.32Å; Q48-D52 PolarHBondContact O-N 2.94Å; F49-D52 PolarHBondContact O-N 2.89Å; D52-K56 WeakPolarHBondContact O-CB 3.26Å; D52-K56 VanDerWaalsContact O-CG 3.31Å; D52-K56 WeakPolarHBondContact O-CG 3.39Å; D52-K56 PolarHBondContact O-N 2.94Å; D52-Y78 PolarHBondContact OD2-OH 3.03Å
53F86.1Confident81.1Confident0 Ų074.6 Ų74.60%038%0.383CS..Hα-helixtrans-67.7-45.6177.3179.1-92.1000111.4V24 A29 F49 K51 E55 K56 T57 I68 L80 I82V24-F53 HydrophobicContact CB-CE1 4.11Å; V24-F53 HydrophobicContact CB-CE2 4.24Å; V24-F53 HydrophobicContact CB-CZ 3.71Å; V24-F53 HydrophobicContact CG1-CD1 4.24Å; V24-F53 HydrophobicContact CG1-CE1 3.56Å; V24-F53 HydrophobicContact CG1-CZ 3.71Å; A29-F53 HydrophobicContact CB-CB 4.45Å; A29-F53 HydrophobicContact CB-CD1 3.49Å; A29-F53 VanDerWaalsContact CB-CD1 3.49Å; A29-F53 HydrophobicContact CB-CE1 4.1Å; A29-F53 HydrophobicContact CB-CG 4.28Å; F49-F53 HydrophobicContact CE1-CB 4.47Å; F49-F53 HydrophobicContact CZ-CB 4.41Å; F49-F53 VanDerWaalsContact O-CB 3.26Å; F49-F53 WeakPolarHBondContact O-CB 3.38Å; F49-F53 PolarHBondContact O-N 3.34Å; K51-F53 VanDerWaalsContact C-N 3.28Å; K51-F53 PolarHBondContact O-N 2.95Å; F53-E55 VanDerWaalsContact C-N 3.34Å; F53-E55 PolarHBondContact O-N 3.44Å; F53-K56 PolarHBondContact O-N 2.97Å; F53-T57 HydrophobicContact CD1-CG2 4.38Å; F53-T57 HydrophobicContact CD2-CG2 4.29Å; F53-T57 HydrophobicContact CE1-CG2 4.01Å; F53-T57 HydrophobicContact CE2-CG2 3.86Å; F53-T57 HydrophobicContact CZ-CG2 3.74Å; F53-T57 WeakPolarHBondContact O-CB 3.49Å; F53-T57 WeakPolarHBondContact O-CG2 3.02Å; F53-T57 PolarHBondContact O-N 2.86Å; F53-T57 PolarHBondContact O-OG1 3.17Å; F53-I68 HydrophobicContact CD2-CG2 3.94Å; F53-I68 HydrophobicContact CE2-CG2 3.46Å; F53-I68 VanDerWaalsContact CE2-CG2 3.46Å; F53-L80 HydrophobicContact CB-CD2 4.16Å; F53-L80 HydrophobicContact CD2-CD2 4.25Å; F53-I82 HydrophobicContact CD2-CD1 4.16Å; F53-I82 HydrophobicContact CD2-CG1 4.47Å; F53-I82 HydrophobicContact CE2-CD1 4.34Å; F53-I82 HydrophobicContact CE2-CG1 4.48Å
54N85.1Confident81.4Confident44 Ų4473.8 Ų73.824%0.23537%0.369CS..Hα-helixtrans-63.4-42.3178.5-73.3-18000110.5A29 C50 K51 T57 K58A29-N54 WeakPolarHBondContact CB-OD1 2.98Å; A29-N54 PolarHBondContact N-OD1 3.32Å; C50-N54 VanDerWaalsContact O-CB 3.32Å; C50-N54 WeakPolarHBondContact O-CB 3.44Å; C50-N54 PolarHBondContact O-N 3.33Å; C50-N54 PolarHBondContact O-ND2 3.14Å; K51-N54 PolarHBondContact O-N 2.99Å; N54-T57 CarbonylContact O-C 3.5Å; N54-T57 PolarHBondContact O-N 3.14Å; N54-T57 PolarHBondContact O-OG1 3.37Å; N54-K58 WeakPolarHBondContact O-CG 3.43Å; N54-K58 PolarHBondContact O-N 3.11Å
55E86.6Confident81.5Confident117 Ų11774.8 Ų74.855%0.54738%0.376SS..Hα-helixtrans-57.6-50.4174.7-77178.5-173.300113.3K51 F53 T57 K58K51-E55 WeakPolarHBondContact O-CB 3.42Å; K51-E55 WeakPolarHBondContact O-CG 3.37Å; K51-E55 PolarHBondContact O-N 3.49Å; F53-E55 VanDerWaalsContact C-N 3.34Å; F53-E55 PolarHBondContact O-N 3.44Å; E55-T57 PolarHBondContact O-N 2.94Å; E55-K58 PolarHBondContact O-N 2.91Å
56K82.8Confident81.6Confident112 Ų11272.3 Ų72.349%0.48736%0.36SS..Hα-helixtrans-67.5-19.1177.9-70.1175.4178.61770113.6D52 F53 L80 I82D52-K56 WeakPolarHBondContact O-CB 3.26Å; D52-K56 VanDerWaalsContact O-CG 3.31Å; D52-K56 WeakPolarHBondContact O-CG 3.39Å; D52-K56 PolarHBondContact O-N 2.94Å; F53-K56 PolarHBondContact O-N 2.97Å; K56-L80 HydrophobicContact CD-CD2 4.19Å; K56-I82 HydrophobicContact CB-CD1 3.51Å; K56-I82 HydrophobicContact CD-CD1 3.91Å; K56-I82 HydrophobicContact CG-CD1 4.36Å
57T82.6Confident81.9Confident1 Ų172 Ų721%0.00636%0.36CS..Hα-helixtrans-105.52-179.159.20000114G27 F53 N54 E55 E59 L60 L66 I82G27-T57 PolarHBondContact N-OG1 3.05Å; F53-T57 HydrophobicContact CD1-CG2 4.38Å; F53-T57 HydrophobicContact CD2-CG2 4.29Å; F53-T57 HydrophobicContact CE1-CG2 4.01Å; F53-T57 HydrophobicContact CE2-CG2 3.86Å; F53-T57 HydrophobicContact CZ-CG2 3.74Å; F53-T57 WeakPolarHBondContact O-CB 3.49Å; F53-T57 WeakPolarHBondContact O-CG2 3.02Å; F53-T57 PolarHBondContact O-N 2.86Å; F53-T57 PolarHBondContact O-OG1 3.17Å; N54-T57 CarbonylContact O-C 3.5Å; N54-T57 PolarHBondContact O-N 3.14Å; N54-T57 PolarHBondContact O-OG1 3.37Å; E55-T57 PolarHBondContact O-N 2.94Å; T57-E59 PolarHBondContact O-N 3.21Å; T57-L60 PolarHBondContact O-N 3.25Å; T57-L60 VanDerWaalsContact O-N 3.09Å; T57-L66 HydrophobicContact CG2-CD1 3.58Å; T57-I82 HydrophobicContact CG2-CD1 4.03Å
58K77.8Confident82Confident151 Ų15169.7 Ų69.766%0.65734%0.336SS*.THydrogen-bonded Turntrans-60.3-32.9178.6-64.1-173.8179.6163.90113.1N54 E55 L60N54-K58 WeakPolarHBondContact O-CG 3.43Å; N54-K58 PolarHBondContact O-N 3.11Å; E55-K58 PolarHBondContact O-N 2.91Å; K58-L60 VanDerWaalsContact C-N 3.28Å
59E75.6Confident82.1Confident188 Ų18867.5 Ų67.588%0.87933%0.325SS*.THydrogen-bonded Turntrans-76.9-17.8-179.1-62.2178.9-176.500112.6T57T57-E59 PolarHBondContact O-N 3.21Å
60L73.2Confident82.1Confident71 Ų7167.5 Ų67.537%0.37233%0.325SS..SBendtrans-93.9140.9179.3-62.7174.2000109.5T57 K58 E62 L66T57-L60 PolarHBondContact O-N 3.25Å; T57-L60 VanDerWaalsContact O-N 3.09Å; K58-L60 VanDerWaalsContact C-N 3.28Å; L60-E62 PolarHBondContact O-N 3.49Å; L60-L66 HydrophobicContact CD1-CD1 3.67Å; L60-L66 HydrophobicContact CD1-CD2 4.27Å
61K71.9Confident82.1Confident176 Ų17670 Ų7077%0.76534%0.335SS*.PPolyproline II helixtrans-52.2136.8176.4-64.6-178.4177.4-178.80110.4S26 I64S26-K61 PolarHBondContact OG-O 2.97Å; K61-I64 HydrophobicContact CB-CD1 3.94Å; K61-I64 HydrophobicContact CB-CG1 4.49Å; K61-I64 WeakPolarHBondContact O-CG1 3.37Å
62E73.4Confident82Confident158 Ų15863.9 Ų63.974%0.73831%0.31SS*.THydrogen-bonded Turntrans-62.9144.1-178-61.5-177.3175.200111.6L60L60-E62 PolarHBondContact O-N 3.49Å
63G74.9Confident81.8Confident27 Ų2764.7 Ų64.728%0.27831%0.311SS..THydrogen-bonded Turntrans88.1-1.317500000116.1S26S26-G63 PolarHBondContact O-N 2.85Å; S26-G63 PolarHBondContact OG-N 3.4Å; S26-G63 VanDerWaalsContact OG-N 3.11Å
64I82.2Confident81.4Confident22 Ų2269 Ų6911%0.11334%0.339CS..  trans-73.4126.8175.6-61.1178.1000109.7R25 S26 K61 L66 P85 Y89R25-I64 WeakPolarHBondContact CA-O 3.45Å; S26-I64 PolarHBondContact N-O 3.44Å; S26-I64 PolarHBondContact OG-N 3.06Å; S26-I64 PolarHBondContact OG-O 3.48Å; K61-I64 HydrophobicContact CB-CD1 3.94Å; K61-I64 HydrophobicContact CB-CG1 4.49Å; K61-I64 WeakPolarHBondContact O-CG1 3.37Å; I64-L66 HydrophobicContact CG2-CD2 4.2Å; I64-L66 HydrophobicContact CG2-CG 4.49Å; I64-L66 PolarHBondContact O-N 2.79Å; I64-P85 HydrophobicContact CG2-CB 3.53Å; I64-P85 HydrophobicContact CG2-CG 3.51Å; I64-Y89 HydrophobicContact CB-CE1 4.29Å; I64-Y89 HydrophobicContact CD1-CE1 4.27Å; I64-Y89 HydrophobicContact CG1-CE1 3.78Å; I64-Y89 HydrophobicContact CG2-CD1 3.94Å; I64-Y89 HydrophobicContact CG2-CE1 3.86Å
65P84.6Confident81.2Confident27 Ų2773 Ų7318%0.17536%0.36CS..EExtended strand (participates in β ladder)trans-74.7109.2176.129.6-32.9000110.7I23 T86 Y89I23-P65 HydrophobicContact CG2-CB 3.79Å; P65-T86 PolarHBondContact O-N 3.1Å; P65-Y89 HydrophobicContact CG-CD2 3.77Å; P65-Y89 HydrophobicContact CG-CG 3.89Å
66L85.7Confident80.7Confident1 Ų176.1 Ų76.11%0.00537%0.367CS..EExtended strand (participates in β ladder)trans-102.8126.6179-64171.5000110.2V24 T57 L60 I64 I82 P85V24-L66 PolarHBondContact N-O 3.22Å; V24-L66 PolarHBondContact O-N 3.38Å; T57-L66 HydrophobicContact CG2-CD1 3.58Å; L60-L66 HydrophobicContact CD1-CD1 3.67Å; L60-L66 HydrophobicContact CD1-CD2 4.27Å; I64-L66 HydrophobicContact CG2-CD2 4.2Å; I64-L66 HydrophobicContact CG2-CG 4.49Å; I64-L66 PolarHBondContact O-N 2.79Å; L66-I82 HydrophobicContact CB-CG2 4.31Å; L66-I82 HydrophobicContact CD1-CG2 4.09Å; L66-P85 HydrophobicContact CD2-CB 4.22Å; L66-P85 HydrophobicContact CD2-CG 3.65Å
67P86.8Confident80.5Confident37 Ų3774 Ų7424%0.2436%0.363CS..EExtended strand (participates in β ladder)trans-73.8126.9170.130.6-31.1000109.6G83 Q84P67-G83 PolarHBondContact O-N 3Å; P67-Q84 WeakPolarHBondContact CD-O 3.31Å; P67-Q84 VanDerWaalsContact CG-O 3.28Å; P67-Q84 WeakPolarHBondContact CG-O 3.18Å
68I86.1Confident80.5Confident2 Ų275.6 Ų75.61%0.0137%0.37CS..EExtended strand (participates in β ladder)trans-110.4141.3175.255.9168.9000110.6R21 A22 V24 F49 F53 I70 L80 I82R21-I68 WeakPolarHBondContact CA-O 3.17Å; A22-I68 HydrophobicContact CB-CD1 4.01Å; A22-I68 HydrophobicContact CB-CG1 3.86Å; A22-I68 PolarHBondContact N-O 3.43Å; A22-I68 WeakPolarHBondContact O-CG1 3.07Å; A22-I68 PolarHBondContact O-N 3.03Å; V24-I68 HydrophobicContact CG2-CD1 3.52Å; V24-I68 HydrophobicContact CG2-CG1 4.04Å; F49-I68 HydrophobicContact CE1-CD1 4.39Å; F49-I68 HydrophobicContact CE2-CD1 4.28Å; F49-I68 HydrophobicContact CZ-CD1 3.5Å; F49-I68 VanDerWaalsContact CZ-CD1 3.5Å; F53-I68 HydrophobicContact CD2-CG2 3.94Å; F53-I68 HydrophobicContact CE2-CG2 3.46Å; F53-I68 VanDerWaalsContact CE2-CG2 3.46Å; I68-I70 HydrophobicContact CD1-CD1 3.98Å; I68-I70 HydrophobicContact CD1-CG1 4.26Å; I68-L80 HydrophobicContact CB-CD1 4.03Å; I68-L80 HydrophobicContact CG2-CD1 4.04Å; I68-I82 HydrophobicContact CG2-CG1 4.22Å
69K86.1Confident80.8Confident73 Ų7371.6 Ų71.632%0.31736%0.355SS..EExtended strand (participates in β ladder)trans-115.6119.4168-67.3176.3-174.5167.40107.7I20 K81I20-K69 WeakPolarHBondContact O-CA 3.46Å; K69-K81 HydrophobicContact CB-CB 4.41Å; K69-K81 PolarHBondContact N-O 2.92Å; K69-K81 PolarHBondContact O-N 3.45Å
70I85.5Confident81.2Confident0 Ų063.5 Ų63.50%032%0.318CS..EExtended strand (participates in β ladder)trans-108.6116.8178-51.5169.8000107V19 I20 L39 I44 F49 I68 V72 L80V19-I70 CarbonylContact C-O 3.51Å; V19-I70 WeakPolarHBondContact CA-O 3.46Å; I20-I70 HydrophobicContact CB-CB 4.16Å; I20-I70 HydrophobicContact CB-CD1 4.45Å; I20-I70 PolarHBondContact N-O 2.98Å; I20-I70 PolarHBondContact O-N 2.88Å; L39-I70 HydrophobicContact CD2-CD1 3.4Å; L39-I70 VanDerWaalsContact CD2-CD1 3.4Å; I44-I70 HydrophobicContact CD1-CG2 4.01Å; F49-I70 HydrophobicContact CD2-CD1 4.17Å; F49-I70 HydrophobicContact CE2-CD1 3.45Å; F49-I70 VanDerWaalsContact CE2-CD1 3.45Å; F49-I70 HydrophobicContact CE2-CG1 3.93Å; F49-I70 HydrophobicContact CZ-CD1 3.81Å; I68-I70 HydrophobicContact CD1-CD1 3.98Å; I68-I70 HydrophobicContact CD1-CG1 4.26Å; I70-V72 HydrophobicContact CG2-CG2 4.36Å; I70-L80 HydrophobicContact CG1-CD1 4.28Å
71H85.2Confident81.8Confident62 Ų6264.2 Ų64.229%0.28732%0.318SS..EExtended strand (participates in β ladder)trans-95.2116.5173-66.7-87.5000108.9V19 Y78 D79V19-H71 WeakPolarHBondContact CG2-ND1 3.29Å; H71-Y78 CarbonylContact O-C 3.59Å; H71-Y78 WeakPolarHBondContact O-CA 3.17Å; H71-D79 HydrophobicContact CB-CB 4.27Å; H71-D79 PolarHBondContact N-O 3.2Å; H71-D79 PolarHBondContact O-N 3.48Å
72V83.1Confident82.5Confident15 Ų1558.2 Ų58.29%0.09129%0.294CS..EExtended strand (participates in β ladder)trans-94.3117.9-179.2-170.70000109.3N18 I20 I44 I70N18-V72 HydrophobicContact CB-CB 4.02Å; N18-V72 VanDerWaalsContact CB-O 3.29Å; N18-V72 WeakPolarHBondContact CB-O 3.43Å; N18-V72 PolarHBondContact ND2-O 3.1Å; N18-V72 PolarHBondContact O-N 3.46Å; I20-V72 HydrophobicContact CD1-CG2 4.1Å; I20-V72 HydrophobicContact CG1-CG2 4.45Å; I44-V72 HydrophobicContact CD1-CG2 3.53Å; I44-V72 HydrophobicContact CG1-CG1 4.39Å; I44-V72 HydrophobicContact CG1-CG2 4.24Å; I70-V72 HydrophobicContact CG2-CG2 4.36Å
73K82.4Confident82.9Confident75 Ų7551.3 Ų51.333%0.32627%0.265SS..PPolyproline II helixtrans-78.8157.1173.7-71.7171.4-179.6150.80110D75 R76 T77 D79K73-D75 PolarHBondContact O-N 3.33Å; K73-D75 VanDerWaalsContact O-N 3.14Å; K73-R76 PolarHBondContact O-N 3.04Å; K73-T77 WeakPolarHBondContact CB-OG1 3.5Å; K73-T77 WeakPolarHBondContact CD-OG1 3.32Å; K73-T77 PolarHBondContact N-O 2.91Å; K73-D79 WeakPolarHBondContact CE-OD2 3.42Å; K73-D79 IonicContact NZ-OD1 2.97Å; K73-D79 PolarHBondContact NZ-OD1 3.35Å; K73-D79 IonicContact NZ-OD2 3.66Å; K73-D79 PolarHBondContact NZ-OD2 3.16Å
74P78.5Confident83.4Confident90 Ų9052.8 Ų52.858%0.58427%0.265SS*.THydrogen-bonded Turntrans-58.3-25.5176.324-34.9000112.9R76P74-R76 PolarHBondContact O-N 3.11Å
75D80.8Confident83.6Confident127 Ų12752.1 Ų52.168%0.67926%0.262SS*.THydrogen-bonded Turntrans-79.412.8177.9-48.7-47.5000113.4K73 T77K73-D75 PolarHBondContact O-N 3.33Å; K73-D75 VanDerWaalsContact O-N 3.14Å; D75-T77 PolarHBondContact O-N 3.05Å
76R74.6Confident83.7Confident183 Ų18352.3 Ų52.369%0.69126%0.263SS*.SBendtrans62.27.7-175.6-52.4177.7-178.9-179.7-0.8114.9K73 P74K73-R76 PolarHBondContact O-N 3.04Å; P74-R76 PolarHBondContact O-N 3.11Å
77T79.9Confident83.7Confident68 Ų6853.5 Ų53.542%0.41727%0.27SS..  trans-76.7149.8169.152.20000110.1K73 D75K73-T77 WeakPolarHBondContact CB-OG1 3.5Å; K73-T77 WeakPolarHBondContact CD-OG1 3.32Å; K73-T77 PolarHBondContact N-O 2.91Å; D75-T77 PolarHBondContact O-N 3.05Å
78Y82.6Confident83.7Confident35 Ų3554.2 Ų54.214%0.13728%0.275CS..EExtended strand (participates in β ladder)trans-123.2140-178.664.3-88.5000111.7I44 P45 Q48 F49 D52 H71 L80I44-Y78 HydrophobicContact CG2-CD1 3.58Å; I44-Y78 HydrophobicContact CG2-CE1 4.03Å; I44-Y78 HydrophobicContact CG2-CG 4.11Å; P45-Y78 HydrophobicContact CG-CE1 4.16Å; Q48-Y78 VanDerWaalsContact C-OH 3.31Å; F49-Y78 WeakPolarHBondContact CA-OH 3.34Å; F49-Y78 HydrophobicContact CD2-CD2 4.33Å; F49-Y78 HydrophobicContact CD2-CE2 4.06Å; F49-Y78 PolarHBondContact N-OH 3.25Å; D52-Y78 PolarHBondContact OD2-OH 3.03Å; H71-Y78 CarbonylContact O-C 3.59Å; H71-Y78 WeakPolarHBondContact O-CA 3.17Å; Y78-L80 HydrophobicContact CD2-CB 4.28Å; Y78-L80 HydrophobicContact CE2-CB 4.42Å
79D84Confident83.8Confident67 Ų6757.2 Ų57.236%0.35829%0.287SS..EExtended strand (participates in β ladder)trans-103.6113.4166.2-58.4-35.3000108.6H71 K73H71-D79 HydrophobicContact CB-CB 4.27Å; H71-D79 PolarHBondContact N-O 3.2Å; H71-D79 PolarHBondContact O-N 3.48Å; K73-D79 WeakPolarHBondContact CE-OD2 3.42Å; K73-D79 IonicContact NZ-OD1 2.97Å; K73-D79 PolarHBondContact NZ-OD1 3.35Å; K73-D79 IonicContact NZ-OD2 3.66Å; K73-D79 PolarHBondContact NZ-OD2 3.16Å
80L84.6Confident83.9Confident18 Ų1855.6 Ų55.69%0.09428%0.28CS..EExtended strand (participates in β ladder)trans-90115.2177.1172.558.2000110.4F49 F53 K56 I68 I70 Y78 I82F49-L80 HydrophobicContact CE2-CD1 3.91Å; F49-L80 HydrophobicContact CE2-CD2 4.14Å; F49-L80 HydrophobicContact CE2-CG 4.49Å; F49-L80 HydrophobicContact CZ-CD1 4.47Å; F53-L80 HydrophobicContact CB-CD2 4.16Å; F53-L80 HydrophobicContact CD2-CD2 4.25Å; K56-L80 HydrophobicContact CD-CD2 4.19Å; I68-L80 HydrophobicContact CB-CD1 4.03Å; I68-L80 HydrophobicContact CG2-CD1 4.04Å; I70-L80 HydrophobicContact CG1-CD1 4.28Å; Y78-L80 HydrophobicContact CD2-CB 4.28Å; Y78-L80 HydrophobicContact CE2-CB 4.42Å; L80-I82 HydrophobicContact CD1-CG1 4.11Å; L80-I82 HydrophobicContact CD2-CD1 4.28Å; L80-I82 HydrophobicContact CD2-CG1 4.33Å; L80-I82 HydrophobicContact CG-CD1 4.48Å; L80-I82 HydrophobicContact CG-CG1 4.04Å
81K85.4Confident84Confident86 Ų8655.6 Ų55.637%0.37428%0.28SS..EExtended strand (participates in β ladder)trans-108.9122.9169.2-63.7-177170.6-163.90110K69 E128K69-K81 HydrophobicContact CB-CB 4.41Å; K69-K81 PolarHBondContact N-O 2.92Å; K69-K81 PolarHBondContact O-N 3.45Å; K81-E128 WeakPolarHBondContact CD-OE2 3.27Å; K81-E128 IonicContact NZ-OE2 3.64Å
82I85.7Confident84Confident49 Ų4955.8 Ų55.825%0.25128%0.28SS..EExtended strand (participates in β ladder)trans-102.1121.3179.4-58.6172000107.5F53 K56 T57 L66 I68 L80F53-I82 HydrophobicContact CD2-CD1 4.16Å; F53-I82 HydrophobicContact CD2-CG1 4.47Å; F53-I82 HydrophobicContact CE2-CD1 4.34Å; F53-I82 HydrophobicContact CE2-CG1 4.48Å; K56-I82 HydrophobicContact CB-CD1 3.51Å; K56-I82 HydrophobicContact CD-CD1 3.91Å; K56-I82 HydrophobicContact CG-CD1 4.36Å; T57-I82 HydrophobicContact CG2-CD1 4.03Å; L66-I82 HydrophobicContact CB-CG2 4.31Å; L66-I82 HydrophobicContact CD1-CG2 4.09Å; I68-I82 HydrophobicContact CG2-CG1 4.22Å; L80-I82 HydrophobicContact CD1-CG1 4.11Å; L80-I82 HydrophobicContact CD2-CD1 4.28Å; L80-I82 HydrophobicContact CD2-CG1 4.33Å; L80-I82 HydrophobicContact CG-CD1 4.48Å; L80-I82 HydrophobicContact CG-CG1 4.04Å
83G82.3Confident84.1Confident13 Ų1361.2 Ų61.213%0.13431%0.305CS..PPolyproline II helixtrans-87.2166.3173.600000111.8P67P67-G83 PolarHBondContact O-N 3Å
84Q84.9Confident84.3Confident59 Ų5959.9 Ų59.928%0.27631%0.307SS..PPolyproline II helixtrans-63157.3172.4-69.9-64.5-20.100111.1P67 K124 D127P67-Q84 WeakPolarHBondContact CD-O 3.31Å; P67-Q84 VanDerWaalsContact CG-O 3.28Å; P67-Q84 WeakPolarHBondContact CG-O 3.18Å; Q84-K124 HydrophobicContact CB-CD 3.89Å; Q84-K124 PolarHBondContact O-NZ 3.47Å; Q84-D127 HydrophobicContact CB-CB 4.23Å; Q84-D127 HydrophobicContact CG-CB 4.09Å; Q84-D127 PolarHBondContact N-OD2 3.1Å
85P85.9Confident84.5Confident7 Ų755.6 Ų55.65%0.04528%0.28CS..PPolyproline II helixtrans-51.6156.1179.8-23.630.4000113.9I64 L66 Y89 F90 K124I64-P85 HydrophobicContact CG2-CB 3.53Å; I64-P85 HydrophobicContact CG2-CG 3.51Å; L66-P85 HydrophobicContact CD2-CB 4.22Å; L66-P85 HydrophobicContact CD2-CG 3.65Å; P85-Y89 HydrophobicContact CB-CD1 4.42Å; P85-F90 HydrophobicContact CB-CD2 4.25Å; P85-F90 HydrophobicContact CB-CE1 4.33Å; P85-F90 HydrophobicContact CB-CE2 3.6Å; P85-F90 HydrophobicContact CB-CZ 3.65Å; P85-F90 HydrophobicContact CG-CE1 4.25Å; P85-F90 HydrophobicContact CG-CE2 3.94Å; P85-F90 HydrophobicContact CG-CZ 3.52Å; P85-F90 WeakPolarHBondContact O-CE2 3.48Å; P85-K124 WeakPolarHBondContact O-CE 3.45Å; P85-K124 PolarHBondContact O-NZ 2.84Å
86T86.6Confident84.5Confident32 Ų3252.5 Ų52.520%0.19628%0.278CS..PPolyproline II helixtrans-62.6142.917861.10000111.4P65 S88 Y89 F90P65-T86 PolarHBondContact O-N 3.1Å; T86-S88 PolarHBondContact O-N 3.2Å; T86-Y89 WeakPolarHBondContact O-CB 3.43Å; T86-Y89 PolarHBondContact O-N 3.37Å; T86-Y89 WeakPolarHBondContact OG1-CB 3.19Å; T86-Y89 PolarHBondContact OG1-N 2.95Å; T86-F90 PolarHBondContact O-N 2.99Å
87V86.6Confident84.8Confident25 Ų2544.7 Ų44.715%0.15225%0.25CC..Hα-helixtrans-58.7-35.8176.9-178.70000110.6Y89 F90 L91 K124 I144V87-Y89 VanDerWaalsContact C-N 3.28Å; V87-Y89 PolarHBondContact O-N 2.84Å; V87-F90 PolarHBondContact O-N 2.84Å; V87-L91 HydrophobicContact CG1-CD1 3.72Å; V87-L91 HydrophobicContact CG1-CG 4.07Å; V87-L91 WeakPolarHBondContact O-CB 3.43Å; V87-L91 WeakPolarHBondContact O-CG 3.28Å; V87-L91 PolarHBondContact O-N 3.22Å; V87-K124 HydrophobicContact CG2-CG 4.24Å; V87-I144 HydrophobicContact CG1-CB 4.38Å; V87-I144 HydrophobicContact CG1-CG1 4.06Å; V87-I144 HydrophobicContact CG1-CG2 3.96Å
88S86.2Confident84.7Confident52 Ų5245.8 Ų45.836%0.36427%0.266SS..Hα-helixtrans-60.4-36.1175.4-49.10000113T86 K92T86-S88 PolarHBondContact O-N 3.2Å; S88-K92 VanDerWaalsContact O-CB 3.25Å; S88-K92 WeakPolarHBondContact O-CB 3.45Å; S88-K92 WeakPolarHBondContact O-CD 3.21Å; S88-K92 WeakPolarHBondContact O-CG 3.42Å; S88-K92 PolarHBondContact O-N 3.16Å; S88-K92 VanDerWaalsContact O-N 3.07Å
89Y88.2Confident84.5Confident65 Ų6551.5 Ų51.526%0.25529%0.291SS..Hα-helixtrans-69.8-45.8175.3-179.3-97.4000111.5I64 P65 P85 T86 V87 L91 K92 Q93I64-Y89 HydrophobicContact CB-CE1 4.29Å; I64-Y89 HydrophobicContact CD1-CE1 4.27Å; I64-Y89 HydrophobicContact CG1-CE1 3.78Å; I64-Y89 HydrophobicContact CG2-CD1 3.94Å; I64-Y89 HydrophobicContact CG2-CE1 3.86Å; P65-Y89 HydrophobicContact CG-CD2 3.77Å; P65-Y89 HydrophobicContact CG-CG 3.89Å; P85-Y89 HydrophobicContact CB-CD1 4.42Å; T86-Y89 WeakPolarHBondContact O-CB 3.43Å; T86-Y89 PolarHBondContact O-N 3.37Å; T86-Y89 WeakPolarHBondContact OG1-CB 3.19Å; T86-Y89 PolarHBondContact OG1-N 2.95Å; V87-Y89 VanDerWaalsContact C-N 3.28Å; V87-Y89 PolarHBondContact O-N 2.84Å; Y89-L91 PolarHBondContact O-N 3.38Å; Y89-K92 PolarHBondContact O-N 3.19Å; Y89-Q93 WeakPolarHBondContact O-CB 3.46Å; Y89-Q93 PolarHBondContact O-N 3.02Å
90F87.9Confident84.3Confident40 Ų4049.4 Ų49.418%0.17529%0.285CS..Hα-helixtrans-60.3-44.1177.8-74.5-57.3000112.8P85 T86 V87 Q93 A94 I120 V123P85-F90 HydrophobicContact CB-CD2 4.25Å; P85-F90 HydrophobicContact CB-CE1 4.33Å; P85-F90 HydrophobicContact CB-CE2 3.6Å; P85-F90 HydrophobicContact CB-CZ 3.65Å; P85-F90 HydrophobicContact CG-CE1 4.25Å; P85-F90 HydrophobicContact CG-CE2 3.94Å; P85-F90 HydrophobicContact CG-CZ 3.52Å; P85-F90 WeakPolarHBondContact O-CE2 3.48Å; T86-F90 PolarHBondContact O-N 2.99Å; V87-F90 PolarHBondContact O-N 2.84Å; F90-Q93 PolarHBondContact O-N 3.27Å; F90-A94 WeakPolarHBondContact O-CB 3.35Å; F90-A94 PolarHBondContact O-N 3.16Å; F90-I120 HydrophobicContact CB-CD1 4.06Å; F90-I120 HydrophobicContact CB-CG1 4.08Å; F90-I120 HydrophobicContact CB-CG2 3.64Å; F90-I120 HydrophobicContact CD2-CG2 4.07Å; F90-I120 HydrophobicContact CG-CG2 3.96Å; F90-V123 HydrophobicContact CZ-CG1 3.99Å
91L87.9Confident84.1Confident0 Ų049.3 Ų49.30%029%0.287CS..Hα-helixtrans-68-38.5178.5-69.7173.6000112.2V87 Y89 A94 A95 I120 I144 A148 L151 I153V87-L91 HydrophobicContact CG1-CD1 3.72Å; V87-L91 HydrophobicContact CG1-CG 4.07Å; V87-L91 WeakPolarHBondContact O-CB 3.43Å; V87-L91 WeakPolarHBondContact O-CG 3.28Å; V87-L91 PolarHBondContact O-N 3.22Å; Y89-L91 PolarHBondContact O-N 3.38Å; L91-A94 PolarHBondContact O-N 2.99Å; L91-A95 VanDerWaalsContact O-CB 3.3Å; L91-A95 WeakPolarHBondContact O-CB 3.1Å; L91-A95 PolarHBondContact O-N 3.34Å; L91-I120 HydrophobicContact CD2-CD1 4.22Å; L91-I144 HydrophobicContact CD1-CG2 4.44Å; L91-I144 HydrophobicContact CD2-CG2 4Å; L91-I144 HydrophobicContact CG-CG2 4.46Å; L91-A148 HydrophobicContact CD1-CB 3.88Å; L91-A148 HydrophobicContact CD2-CB 4.23Å; L91-L151 HydrophobicContact CB-CD1 4.25Å; L91-L151 HydrophobicContact CD1-CD1 3.98Å; L91-I153 HydrophobicContact CB-CD1 3.78Å
92K86.3Confident83.8Confident65 Ų6553.7 Ų53.728%0.28330%0.301SS..Hα-helixtrans-63.8-41.4174-79.1178.1-178.6-1680112.2S88 Y89 A95 G96 I97 A98S88-K92 VanDerWaalsContact O-CB 3.25Å; S88-K92 WeakPolarHBondContact O-CB 3.45Å; S88-K92 WeakPolarHBondContact O-CD 3.21Å; S88-K92 WeakPolarHBondContact O-CG 3.42Å; S88-K92 PolarHBondContact O-N 3.16Å; S88-K92 VanDerWaalsContact O-N 3.07Å; Y89-K92 PolarHBondContact O-N 3.19Å; K92-A95 CarbonylContact O-C 3.55Å; K92-A95 PolarHBondContact O-N 3.39Å; K92-G96 CarbonylContact O-C 3.55Å; K92-G96 WeakPolarHBondContact O-CA 3.34Å; K92-G96 PolarHBondContact O-N 2.76Å; K92-I97 HydrophobicContact CB-CG1 4.31Å; K92-I97 WeakPolarHBondContact CB-O 3.21Å; K92-I97 HydrophobicContact CG-CG1 4.07Å; K92-I97 PolarHBondContact O-N 3.19Å; K92-A98 PolarHBondContact NZ-O 3.04Å
93Q85.9Confident83.6Confident129 Ų12957.7 Ų57.760%0.60332%0.317SS*.Hα-helixtrans-67.7-43.4177.3-16967.714.600111.5Y89 F90 A95 G96Y89-Q93 WeakPolarHBondContact O-CB 3.46Å; Y89-Q93 PolarHBondContact O-N 3.02Å; F90-Q93 PolarHBondContact O-N 3.27Å; Q93-A95 VanDerWaalsContact C-N 3.29Å; Q93-A95 PolarHBondContact O-N 2.96Å; Q93-G96 PolarHBondContact O-N 2.9Å; Q93-G96 VanDerWaalsContact O-N 3.11Å
94A85Confident83.5Confident47 Ų4760.6 Ų60.639%0.38833%0.332SS..Hα-helixtrans-65-33.4177.600000112.5F90 L91 V112 I120F90-A94 WeakPolarHBondContact O-CB 3.35Å; F90-A94 PolarHBondContact O-N 3.16Å; L91-A94 PolarHBondContact O-N 2.99Å; A94-V112 HydrophobicContact CB-CG1 4.21Å; A94-V112 HydrophobicContact CB-CG2 4.28Å; A94-I120 HydrophobicContact CB-CD1 4.06Å
95A82.9Confident83Confident1 Ų161.5 Ų61.51%0.00836%0.357CS..THydrogen-bonded Turntrans-88.7-3.3173.100000113.5L91 K92 Q93 I97 V112 I153 Y164L91-A95 VanDerWaalsContact O-CB 3.3Å; L91-A95 WeakPolarHBondContact O-CB 3.1Å; L91-A95 PolarHBondContact O-N 3.34Å; K92-A95 CarbonylContact O-C 3.55Å; K92-A95 PolarHBondContact O-N 3.39Å; Q93-A95 VanDerWaalsContact C-N 3.29Å; Q93-A95 PolarHBondContact O-N 2.96Å; A95-I97 HydrophobicContact CB-CD1 4.24Å; A95-I97 HydrophobicContact CB-CG1 4.02Å; A95-I97 HydrophobicContact CB-CG2 4.22Å; A95-I97 WeakPolarHBondContact O-CG2 3.32Å; A95-I97 PolarHBondContact O-N 2.89Å; A95-I97 VanDerWaalsContact O-N 3.12Å; A95-V112 HydrophobicContact CB-CG2 3.82Å; A95-I153 HydrophobicContact CB-CD1 4.46Å; A95-Y164 WeakPolarHBondContact CA-OH 3.45Å; A95-Y164 PolarHBondContact O-OH 2.84Å
96G80.5Confident82.6Confident61 Ų6169.2 Ų69.263%0.62939%0.392SS*.THydrogen-bonded Turntrans57.924.4-175.300000115.1K92 Q93K92-G96 CarbonylContact O-C 3.55Å; K92-G96 WeakPolarHBondContact O-CA 3.34Å; K92-G96 PolarHBondContact O-N 2.76Å; Q93-G96 PolarHBondContact O-N 2.9Å; Q93-G96 VanDerWaalsContact O-N 3.11Å
97I80.8Confident82.3Confident20 Ų2070 Ų7010%0.10339%0.394CS..  trans-103.8137.6-177.764.7177000112.1K92 A95 A109 I153K92-I97 HydrophobicContact CB-CG1 4.31Å; K92-I97 WeakPolarHBondContact CB-O 3.21Å; K92-I97 HydrophobicContact CG-CG1 4.07Å; K92-I97 PolarHBondContact O-N 3.19Å; A95-I97 HydrophobicContact CB-CD1 4.24Å; A95-I97 HydrophobicContact CB-CG1 4.02Å; A95-I97 HydrophobicContact CB-CG2 4.22Å; A95-I97 WeakPolarHBondContact O-CG2 3.32Å; A95-I97 PolarHBondContact O-N 2.89Å; A95-I97 VanDerWaalsContact O-N 3.12Å; I97-A109 HydrophobicContact CD1-CB 4Å; I97-A109 WeakPolarHBondContact CG2-O 3.5Å; I97-I153 HydrophobicContact CD1-CD1 3.96Å; I97-I153 HydrophobicContact CD1-CG1 3.98Å
98A78.1Confident82Confident91 Ų9171.8 Ų71.875%0.75240%0.404SS*.SBendtrans-81.6-40.4176.400000112.7K92K92-A98 PolarHBondContact NZ-O 3.04Å
99K78.6Confident81.6Confident155 Ų15569.3 Ų69.367%0.67439%0.387SS*.SBendtrans-121.8141.3-178.6-70.9-177.6-179.5175.30110.4
100G79.2Confident81.3Confident22 Ų2266.2 Ų66.223%0.22738%0.375CS..  trans-74.9-178.9173.400000112
101A80.9Confident81.1Confident17 Ų1766.4 Ų66.414%0.1438%0.377CS..  trans-65138.2177.300000111.1T104 A109 L151A101-T104 HydrophobicContact CB-CG2 4.14Å; A101-A109 HydrophobicContact CB-CB 3.93Å; A101-L151 PolarHBondContact N-O 3.43Å
102R79.6Confident81.1Confident177 Ų17766.6 Ų66.667%0.66838%0.378SS*.SBendtrans-76.7-35.6174-165.8176.4-176.2-177.10.4111.3
103K80.8Confident81.3Confident134 Ų13464.8 Ų64.858%0.58337%0.374SS*.SBendtrans-122.386.8173.1-67.1179.2-176.8174.30109.5G105 H106 E107K103-G105 PolarHBondContact O-N 3.43Å; K103-H106 HydrophobicContact CB-CB 4.29Å; K103-H106 PolarHBondContact O-N 3.14Å; K103-E107 PolarHBondContact O-N 3Å; K103-E107 VanDerWaalsContact O-N 3.15Å
104T79.8Confident81.4Confident74 Ų7461.4 Ų61.445%0.45436%0.362SS..BIsolated β-bridgetrans-57.5126.1177.946.80000110.9A101 S150A101-T104 HydrophobicContact CB-CG2 4.14Å; T104-S150 WeakPolarHBondContact CG2-O 3.35Å
105G75.3Confident81.5Confident77 Ų7766.2 Ų66.279%0.79437%0.374SS*.THydrogen-bonded Turntrans98.9-24.8-179.800000114.6K103K103-G105 PolarHBondContact O-N 3.43Å
106H77.2Confident81.7Confident170 Ų17067.1 Ų67.179%0.78738%0.382SS*.THydrogen-bonded Turntrans-96.3-32171.1-63.5-70.8000112.1K103K103-H106 HydrophobicContact CB-CB 4.29Å; K103-H106 PolarHBondContact O-N 3.14Å
107E80.2Confident82.1Confident49 Ų4964.3 Ų64.323%0.22935%0.352CS..BIsolated β-bridgetrans-119.8134.2176.3-69.2170-140.400110.3K103 R171K103-E107 PolarHBondContact O-N 3Å; K103-E107 VanDerWaalsContact O-N 3.15Å; E107-R171 IonicContact OE2-CZ 2.76Å; E107-R171 IonicContact OE2-NH1 3.8Å; E107-R171 PolarHBondContact OE2-NH1 3.43Å; E107-R171 IonicContact OE2-NH2 3.55Å
108T80Confident82.5Confident61 Ų6168.2 Ų68.237%0.37437%0.366SS..  trans-87.4122.3165.546.50000108.3G152 Q154 F167T108-G152 CarbonylContact C-O 3.56Å; T108-G152 WeakPolarHBondContact CA-O 3.4Å; T108-Q154 HydrophobicContact CG2-CB 4.42Å; T108-F167 WeakPolarHBondContact O-CZ 3.46Å
109A79.1Confident83Confident0 Ų070 Ų700%036%0.359CS..  trans-87-30.7178.500000112.2I97 A101 G152I97-A109 HydrophobicContact CD1-CB 4Å; I97-A109 WeakPolarHBondContact CG2-O 3.5Å; A101-A109 HydrophobicContact CB-CB 3.93Å; A109-G152 PolarHBondContact N-O 3.3Å
110G81.6Confident83.5Confident0 Ų063.4 Ų63.40%033%0.331CS..EExtended strand (participates in β ladder)trans-165166.2-176.600000111.6I153 Q154G110-I153 CarbonylContact O-C 3.57Å; G110-I153 VanDerWaalsContact O-CA 3.28Å; G110-I153 WeakPolarHBondContact O-CA 3.36Å; G110-Q154 PolarHBondContact O-N 3.46Å
111M84.1Confident83.9Confident45 Ų4562.3 Ų62.322%0.22232%0.32CS..EExtended strand (participates in β ladder)trans-120.4142.3171-64.4-178.1161.500109.8Q154 V156 L159 Y164M111-Q154 CarbonylContact C-O 3.58Å; M111-Q154 VanDerWaalsContact CA-O 3.24Å; M111-Q154 WeakPolarHBondContact CA-O 3.35Å; M111-Q154 HydrophobicContact CG-CB 4.33Å; M111-V156 HydrophobicContact CB-CG2 4.34Å; M111-V156 HydrophobicContact CG-CG2 4.35Å; M111-V156 HydrophobicContact SD-CG2 4.13Å; M111-L159 HydrophobicContact CB-CD1 3.88Å; M111-L159 HydrophobicContact SD-CD1 4.25Å; M111-Y164 HydrophobicContact CB-CD2 4.33Å; M111-Y164 HydrophobicContact CB-CE2 3.94Å; M111-Y164 WeakPolarHBondContact O-CE2 3.32Å
112V87.5Confident84.1Confident3 Ų366.7 Ų66.72%0.01834%0.336CS..EExtended strand (participates in β ladder)trans-135.2140.4177.3178.40000109.2A94 A95 A116 V117 I153 Q154 V155 V156A94-V112 HydrophobicContact CB-CG1 4.21Å; A94-V112 HydrophobicContact CB-CG2 4.28Å; A95-V112 HydrophobicContact CB-CG2 3.82Å; V112-A116 HydrophobicContact CG1-CB 3.74Å; V112-V117 HydrophobicContact CG1-CG2 3.97Å; V112-I153 HydrophobicContact CB-CG2 4.07Å; V112-I153 HydrophobicContact CG2-CG2 3.51Å; V112-Q154 PolarHBondContact N-O 3.16Å; V112-V155 CarbonylContact O-C 3.59Å; V112-V155 VanDerWaalsContact O-CA 3.29Å; V112-V155 WeakPolarHBondContact O-CA 3.33Å; V112-V156 PolarHBondContact O-N 2.88Å
113S89.5Confident84.4Confident28 Ų2861.1 Ų61.120%0.19632%0.321CS..EExtended strand (participates in β ladder)trans-76.8151.8177.568.50000112.2K115 A116 V117 V156S113-K115 PolarHBondContact O-N 3.28Å; S113-A116 PolarHBondContact O-N 2.95Å; S113-A116 VanDerWaalsContact O-N 3.16Å; S113-A116 PolarHBondContact OG-N 3.24Å; S113-V117 PolarHBondContact O-N 2.92Å; S113-V117 VanDerWaalsContact O-N 3.13Å; S113-V156 CarbonylContact C-O 3.57Å; S113-V156 VanDerWaalsContact CA-O 3.27Å; S113-V156 WeakPolarHBondContact CA-O 3.47Å
114V88.1Confident84.5Confident58 Ų5855.6 Ų55.635%0.35230%0.297SS..Hα-helixtrans-58.1-33.4174179.30000111.7V117 Y118 V155 V156 N157V114-V117 PolarHBondContact O-N 3.36Å; V114-Y118 PolarHBondContact O-N 3.26Å; V114-V155 HydrophobicContact CG2-CG1 3.75Å; V114-V156 PolarHBondContact N-O 2.85Å; V114-V156 VanDerWaalsContact N-O 3.08Å; V114-N157 WeakPolarHBondContact CG2-OD1 3.19Å
115K88.6Confident84.4Confident147 Ų14753 Ų5364%0.63929%0.285SS*.Hα-helixtrans-60.9-47.6176-65.9177.7-178.21700111.8S113 V117 Y118 E119S113-K115 PolarHBondContact O-N 3.28Å; K115-V117 VanDerWaalsContact C-N 3.33Å; K115-V117 PolarHBondContact O-N 3.2Å; K115-Y118 WeakPolarHBondContact O-CB 3.34Å; K115-Y118 PolarHBondContact O-N 3.42Å; K115-Y118 VanDerWaalsContact O-N 3.14Å; K115-E119 PolarHBondContact O-N 2.91Å
116A86.9Confident84.6Confident21 Ų2155 Ų5517%0.17427%0.274CS..Hα-helixtrans-63.3-39.317700000111.7V112 S113 Y118 E119 I120V112-A116 HydrophobicContact CG1-CB 3.74Å; S113-A116 PolarHBondContact O-N 2.95Å; S113-A116 VanDerWaalsContact O-N 3.16Å; S113-A116 PolarHBondContact OG-N 3.24Å; A116-Y118 VanDerWaalsContact C-N 3.28Å; A116-Y118 PolarHBondContact O-N 3.15Å; A116-E119 PolarHBondContact O-N 2.94Å; A116-I120 WeakPolarHBondContact O-CD1 3.29Å; A116-I120 WeakPolarHBondContact O-CG1 3.05Å; A116-I120 PolarHBondContact O-N 2.97Å
117V88.7Confident84.6Confident1 Ų147.8 Ų47.81%0.00624%0.241CC..Hα-helixtrans-60.5-40174.6175.90000111.4V112 S113 V114 K115 I120 A121 V141 I144 I145 V155V112-V117 HydrophobicContact CG1-CG2 3.97Å; S113-V117 PolarHBondContact O-N 2.92Å; S113-V117 VanDerWaalsContact O-N 3.13Å; V114-V117 PolarHBondContact O-N 3.36Å; K115-V117 VanDerWaalsContact C-N 3.33Å; K115-V117 PolarHBondContact O-N 3.2Å; V117-I120 PolarHBondContact O-N 2.86Å; V117-A121 WeakPolarHBondContact O-CB 3.43Å; V117-A121 PolarHBondContact O-N 3.25Å; V117-V141 HydrophobicContact CG1-CG1 4.08Å; V117-I144 HydrophobicContact CG1-CB 4.2Å; V117-I144 HydrophobicContact CG1-CG2 3.83Å; V117-I145 HydrophobicContact CG1-CG1 4.09Å; V117-V155 HydrophobicContact CG2-CG1 4.24Å; V117-V155 HydrophobicContact CG2-CG2 4.4Å
118Y89.3Confident84Confident102 Ų10249 Ų4940%0.425%0.247SC..Hα-helixtrans-68.3-39.7179-174.4-109.2000112.7V114 K115 A116 A121 K122 V141V114-Y118 PolarHBondContact O-N 3.26Å; K115-Y118 WeakPolarHBondContact O-CB 3.34Å; K115-Y118 PolarHBondContact O-N 3.42Å; K115-Y118 VanDerWaalsContact O-N 3.14Å; A116-Y118 VanDerWaalsContact C-N 3.28Å; A116-Y118 PolarHBondContact O-N 3.15Å; Y118-A121 WeakPolarHBondContact O-CB 3.43Å; Y118-A121 PolarHBondContact O-N 2.79Å; Y118-K122 HydrophobicContact CD1-CD 4.37Å; Y118-K122 HydrophobicContact CE1-CD 4.02Å; Y118-K122 HydrophobicContact CE1-CG 4.49Å; Y118-K122 VanDerWaalsContact CE1-NZ 3.33Å; Y118-K122 PolarHBondContact O-N 3.12Å; Y118-K122 WeakPolarHBondContact OH-CE 3.21Å; Y118-V141 HydrophobicContact CD2-CG2 4.06Å
119E88.7Confident83.3Confident129 Ų12948.2 Ų48.260%0.60324%0.244SC*.Hα-helixtrans-63.4-44.8173.6-70.5175.8-174.600111.7K115 A116 A121 K122 V123K115-E119 PolarHBondContact O-N 2.91Å; A116-E119 PolarHBondContact O-N 2.94Å; E119-A121 VanDerWaalsContact C-N 3.26Å; E119-A121 PolarHBondContact O-N 3.25Å; E119-K122 PolarHBondContact O-N 3.49Å; E119-V123 WeakPolarHBondContact O-CG2 3.32Å; E119-V123 PolarHBondContact O-N 3.11Å; E119-V123 VanDerWaalsContact O-N 3.11Å
120I88.5Confident82.6Confident16 Ų1650 Ų508%0.08225%0.251CS..Hα-helixtrans-60.8-39.8174.6-64.3164.3000110.2F90 L91 A94 A116 V117 V123 K124 I144F90-I120 HydrophobicContact CB-CD1 4.06Å; F90-I120 HydrophobicContact CB-CG1 4.08Å; F90-I120 HydrophobicContact CB-CG2 3.64Å; F90-I120 HydrophobicContact CD2-CG2 4.07Å; F90-I120 HydrophobicContact CG-CG2 3.96Å; L91-I120 HydrophobicContact CD2-CD1 4.22Å; A94-I120 HydrophobicContact CB-CD1 4.06Å; A116-I120 WeakPolarHBondContact O-CD1 3.29Å; A116-I120 WeakPolarHBondContact O-CG1 3.05Å; A116-I120 PolarHBondContact O-N 2.97Å; V117-I120 PolarHBondContact O-N 2.86Å; I120-V123 PolarHBondContact O-N 3.48Å; I120-K124 WeakPolarHBondContact O-CB 3.37Å; I120-K124 PolarHBondContact O-N 3.38Å; I120-I144 HydrophobicContact CG2-CD1 4.12Å
121A86.8Confident81.7Confident0 Ų056.7 Ų56.70%028%0.28CS..Hα-helixtrans-63.4-40.1177.200000112.5V117 Y118 E119 K124 G125 V140 V141 I144V117-A121 WeakPolarHBondContact O-CB 3.43Å; V117-A121 PolarHBondContact O-N 3.25Å; Y118-A121 WeakPolarHBondContact O-CB 3.43Å; Y118-A121 PolarHBondContact O-N 2.79Å; E119-A121 VanDerWaalsContact C-N 3.26Å; E119-A121 PolarHBondContact O-N 3.25Å; A121-K124 PolarHBondContact O-N 3.43Å; A121-G125 WeakPolarHBondContact O-CA 3.49Å; A121-G125 PolarHBondContact O-N 2.85Å; A121-V140 HydrophobicContact CB-CG1 3.96Å; A121-V141 HydrophobicContact CB-CG2 3.56Å; A121-I144 VanDerWaalsContact CA-CD1 3.43Å; A121-I144 HydrophobicContact CB-CD1 3.65Å
122K86.6Confident80.7Confident108 Ų10861.2 Ų61.247%0.4730%0.304SS..Hα-helixtrans-62.5-46.8175.3-77.4177.9167.5173.50112Y118 E119Y118-K122 HydrophobicContact CD1-CD 4.37Å; Y118-K122 HydrophobicContact CE1-CD 4.02Å; Y118-K122 HydrophobicContact CE1-CG 4.49Å; Y118-K122 VanDerWaalsContact CE1-NZ 3.33Å; Y118-K122 PolarHBondContact O-N 3.12Å; Y118-K122 WeakPolarHBondContact OH-CE 3.21Å; E119-K122 PolarHBondContact O-N 3.49Å
123V85.8Confident79.9Confident61 Ų6169.4 Ų69.437%0.3734%0.335SS..Hα-helixtrans-65-46178.6177.10000110.4F90 E119 I120 Q126F90-V123 HydrophobicContact CZ-CG1 3.99Å; E119-V123 WeakPolarHBondContact O-CG2 3.32Å; E119-V123 PolarHBondContact O-N 3.11Å; E119-V123 VanDerWaalsContact O-N 3.11Å; I120-V123 PolarHBondContact O-N 3.48Å; V123-Q126 PolarHBondContact O-N 3.48Å
124K83.1Confident78.7Confident17 Ų1775.4 Ų75.47%0.07437%0.365CS..Hα-helixtrans-73.8-27.9-176.8-167.158173.5167.70113.1Q84 P85 V87 I120 A121 Q126 D127 F130Q84-K124 HydrophobicContact CB-CD 3.89Å; Q84-K124 PolarHBondContact O-NZ 3.47Å; P85-K124 WeakPolarHBondContact O-CE 3.45Å; P85-K124 PolarHBondContact O-NZ 2.84Å; V87-K124 HydrophobicContact CG2-CG 4.24Å; I120-K124 WeakPolarHBondContact O-CB 3.37Å; I120-K124 PolarHBondContact O-N 3.38Å; A121-K124 PolarHBondContact O-N 3.43Å; K124-Q126 PolarHBondContact O-N 2.89Å; K124-D127 IonicContact NZ-OD2 2.83Å; K124-D127 PolarHBondContact NZ-OD2 2.95Å; K124-D127 WeakPolarHBondContact O-CB 3.3Å; K124-D127 PolarHBondContact O-N 2.89Å; K124-D127 VanDerWaalsContact O-N 3.1Å; K124-F130 HydrophobicContact CG-CE2 3.96Å; K124-F130 WeakPolarHBondContact O-CD2 3.25Å
125G77.3Confident78Confident20 Ų2074.6 Ų74.621%0.20636%0.36CS..Hα-helixtrans-63.6-19.4176.500000113.9A121 D127A121-G125 WeakPolarHBondContact O-CA 3.49Å; A121-G125 PolarHBondContact O-N 2.85Å; G125-D127 PolarHBondContact O-N 3.3Å
126Q78.3Confident77.8Confident119 Ų11970.5 Ų70.556%0.55635%0.35SS*.THydrogen-bonded Turntrans-76.5-7.3175.1-62.1178.1-1.900113.7V123 K124 K131V123-Q126 PolarHBondContact O-N 3.48Å; K124-Q126 PolarHBondContact O-N 2.89Å; Q126-K131 WeakPolarHBondContact O-CD 3.46Å; Q126-K131 WeakPolarHBondContact O-CE 3.1Å; Q126-K131 PolarHBondContact O-NZ 3.38Å
127D78.1Confident77.5Confident19 Ų1973.2 Ų73.210%0.10236%0.361CS..SBendtrans-69147.9179.9-157-10.6000111.5Q84 K124 G125 C129 F130 K131Q84-D127 HydrophobicContact CB-CB 4.23Å; Q84-D127 HydrophobicContact CG-CB 4.09Å; Q84-D127 PolarHBondContact N-OD2 3.1Å; K124-D127 IonicContact NZ-OD2 2.83Å; K124-D127 PolarHBondContact NZ-OD2 2.95Å; K124-D127 WeakPolarHBondContact O-CB 3.3Å; K124-D127 PolarHBondContact O-N 2.89Å; K124-D127 VanDerWaalsContact O-N 3.1Å; G125-D127 PolarHBondContact O-N 3.3Å; D127-C129 PolarHBondContact O-N 3.24Å; D127-C129 VanDerWaalsContact O-N 3.11Å; D127-F130 HydrophobicContact CB-CD2 4.21Å; D127-F130 PolarHBondContact O-N 3.22Å; D127-K131 PolarHBondContact O-N 3.38Å; D127-K131 VanDerWaalsContact O-N 3.1Å
128E67.9Low77.4Confident75 Ų7579.7 Ų79.735%0.3539%0.391SS..Hα-helixtrans-57.6-33.4-175.8-67-170.8171.300112.1K81 F130 K131 I132K81-E128 WeakPolarHBondContact CD-OE2 3.27Å; K81-E128 IonicContact NZ-OE2 3.64Å; E128-F130 VanDerWaalsContact C-N 3.26Å; E128-F130 PolarHBondContact O-N 3.43Å; E128-K131 PolarHBondContact O-N 3Å; E128-I132 WeakPolarHBondContact O-CB 3.46Å; E128-I132 WeakPolarHBondContact O-CD1 3.4Å; E128-I132 WeakPolarHBondContact O-CG1 3.45Å; E128-I132 PolarHBondContact O-N 3.07Å
129C65.9Low77.2Confident44 Ų4477.7 Ų77.730%0.29739%0.39SS..Hα-helixtrans-65.7-28.6-179-1620000113.3D127 R133D127-C129 PolarHBondContact O-N 3.24Å; D127-C129 VanDerWaalsContact O-N 3.11Å; C129-R133 WeakPolarHBondContact O-CD 3.34Å; C129-R133 WeakPolarHBondContact O-CG 3.29Å
130F63.5Low77Confident37 Ų3771.6 Ų71.616%0.16236%0.361CS..Hα-helixtrans-91.6-35.2178.3-68.5-71.1000111.5K124 D127 E128 I132 R133 D134 V140K124-F130 HydrophobicContact CG-CE2 3.96Å; K124-F130 WeakPolarHBondContact O-CD2 3.25Å; D127-F130 HydrophobicContact CB-CD2 4.21Å; D127-F130 PolarHBondContact O-N 3.22Å; E128-F130 VanDerWaalsContact C-N 3.26Å; E128-F130 PolarHBondContact O-N 3.43Å; F130-I132 VanDerWaalsContact C-N 3.35Å; F130-I132 PolarHBondContact O-N 3.35Å; F130-R133 PolarHBondContact O-N 2.97Å; F130-R133 VanDerWaalsContact O-N 3.16Å; F130-D134 PolarHBondContact O-N 3.13Å; F130-V140 HydrophobicContact CD1-CG2 3.87Å; F130-V140 HydrophobicContact CE1-CG2 4.15Å; F130-V140 HydrophobicContact CG-CG2 4.39Å
131K62.6Low77Confident140 Ų14072 Ų7261%0.60936%0.364SS*.Hα-helixtrans-58.7-42.5172.2-73.1176.1169.8161.70112.9Q126 D127 E128 R133 D134Q126-K131 WeakPolarHBondContact O-CD 3.46Å; Q126-K131 WeakPolarHBondContact O-CE 3.1Å; Q126-K131 PolarHBondContact O-NZ 3.38Å; D127-K131 PolarHBondContact O-N 3.38Å; D127-K131 VanDerWaalsContact O-N 3.1Å; E128-K131 PolarHBondContact O-N 3Å; K131-R133 PolarHBondContact O-N 3.23Å; K131-D134 PolarHBondContact O-N 2.94Å
132I63.3Low77.1Confident141 Ų14178.8 Ų78.872%0.72339%0.394SS*.THydrogen-bonded Turntrans-68.2-26.2179.5-65.6163.5000111.8E128 F130E128-I132 WeakPolarHBondContact O-CB 3.46Å; E128-I132 WeakPolarHBondContact O-CD1 3.4Å; E128-I132 WeakPolarHBondContact O-CG1 3.45Å; E128-I132 PolarHBondContact O-N 3.07Å; F130-I132 VanDerWaalsContact C-N 3.35Å; F130-I132 PolarHBondContact O-N 3.35Å
133R69.9Low77.3Confident175 Ų17577.1 Ų77.166%0.6639%0.393SS*.THydrogen-bonded Turntrans-97.31.2-175.1-68.2-178.5177.5-168.2-2.4113.7C129 F130 K131 T135C129-R133 WeakPolarHBondContact O-CD 3.34Å; C129-R133 WeakPolarHBondContact O-CG 3.29Å; F130-R133 PolarHBondContact O-N 2.97Å; F130-R133 VanDerWaalsContact O-N 3.16Å; K131-R133 PolarHBondContact O-N 3.23Å; R133-T135 WeakPolarHBondContact CB-OG1 3.46Å; R133-T135 PolarHBondContact O-N 2.91Å; R133-T135 PolarHBondContact O-OG1 3.25Å
134D65Low77.4Confident154 Ų15474.3 Ų74.382%0.82438%0.376SS*.THydrogen-bonded Turntrans39.247.2-175.1-161.122000113.1F130 K131F130-D134 PolarHBondContact O-N 3.13Å; K131-D134 PolarHBondContact O-N 2.94Å
135T73.7Confident77.8Confident41 Ų4176.2 Ų76.225%0.25239%0.386SS..  trans-83.4128.3-168.3-56.80000110R133 T139 V140R133-T135 WeakPolarHBondContact CB-OG1 3.46Å; R133-T135 PolarHBondContact O-N 2.91Å; R133-T135 PolarHBondContact O-OG1 3.25Å; T135-T139 VanDerWaalsContact CG2-CB 3.45Å; T135-T139 HydrophobicContact CG2-CG2 3.52Å; T135-V140 HydrophobicContact CG2-CG2 4.11Å
136S82.9Confident78.4Confident61 Ų6177.1 Ų77.143%0.42740%0.395SS..  trans-57145.9174.8670000111.9E138 T139 V140S136-E138 PolarHBondContact O-N 3.18Å; S136-E138 VanDerWaalsContact O-N 3.15Å; S136-T139 WeakPolarHBondContact O-CB 3.33Å; S136-T139 PolarHBondContact O-N 3.08Å; S136-T139 PolarHBondContact OG-OG1 2.89Å; S136-V140 PolarHBondContact O-N 3.11Å
137L81.6Confident78.9Confident78 Ų7873.1 Ų73.141%0.40838%0.38SS..Hα-helixtrans-55-34.3178.7-77.3172.5000112.4T139 V140 V141L137-T139 VanDerWaalsContact C-N 3.32Å; L137-T139 PolarHBondContact O-N 3.17Å; L137-V140 WeakPolarHBondContact O-CB 3.4Å; L137-V140 PolarHBondContact O-N 3.02Å; L137-V141 VanDerWaalsContact O-CG2 3.32Å; L137-V141 WeakPolarHBondContact O-CG2 3.45Å; L137-V141 PolarHBondContact O-N 3.06Å
138E85.6Confident79.4Confident136 Ų13672.2 Ų72.264%0.63638%0.375SS*.Hα-helixtrans-60.5-40.9176.1-62-179.3-176.600112.6S136 V141 K142S136-E138 PolarHBondContact O-N 3.18Å; S136-E138 VanDerWaalsContact O-N 3.15Å; E138-V141 PolarHBondContact O-N 3.44Å; E138-K142 WeakPolarHBondContact O-CG 3.36Å; E138-K142 PolarHBondContact O-N 2.93Å
139T86.3Confident80.4Confident61 Ų6177.8 Ų77.837%0.37439%0.393SS..Hα-helixtrans-71-35.7179.5-55.30000110.9T135 S136 L137 K142 T143T135-T139 VanDerWaalsContact CG2-CB 3.45Å; T135-T139 HydrophobicContact CG2-CG2 3.52Å; S136-T139 WeakPolarHBondContact O-CB 3.33Å; S136-T139 PolarHBondContact O-N 3.08Å; S136-T139 PolarHBondContact OG-OG1 2.89Å; L137-T139 VanDerWaalsContact C-N 3.32Å; L137-T139 PolarHBondContact O-N 3.17Å; T139-K142 PolarHBondContact O-N 3.3Å; T139-T143 PolarHBondContact O-N 3.02Å; T139-T143 PolarHBondContact O-OG1 3.4Å
140V85.3Confident81.4Confident1 Ų179.6 Ų79.61%0.00641%0.406CS..Hα-helixtrans-62.7-46172.2-177.60000110.4A121 F130 T135 S136 L137 K142 T143 I144A121-V140 HydrophobicContact CB-CG1 3.96Å; F130-V140 HydrophobicContact CD1-CG2 3.87Å; F130-V140 HydrophobicContact CE1-CG2 4.15Å; F130-V140 HydrophobicContact CG-CG2 4.39Å; T135-V140 HydrophobicContact CG2-CG2 4.11Å; S136-V140 PolarHBondContact O-N 3.11Å; L137-V140 WeakPolarHBondContact O-CB 3.4Å; L137-V140 PolarHBondContact O-N 3.02Å; V140-K142 PolarHBondContact O-N 3.21Å; V140-T143 WeakPolarHBondContact O-CB 3.32Å; V140-T143 PolarHBondContact O-N 3.49Å; V140-I144 HydrophobicContact CG1-CD1 3.97Å; V140-I144 WeakPolarHBondContact O-CG1 3.48Å; V140-I144 PolarHBondContact O-N 3.27Å
141V88.4Confident82.5Confident24 Ų2479.2 Ų79.215%0.14541%0.406CS..Hα-helixtrans-59.4-48176.3169.70000111V117 Y118 A121 L137 E138 T143 I144 I145V117-V141 HydrophobicContact CG1-CG1 4.08Å; Y118-V141 HydrophobicContact CD2-CG2 4.06Å; A121-V141 HydrophobicContact CB-CG2 3.56Å; L137-V141 VanDerWaalsContact O-CG2 3.32Å; L137-V141 WeakPolarHBondContact O-CG2 3.45Å; L137-V141 PolarHBondContact O-N 3.06Å; E138-V141 PolarHBondContact O-N 3.44Å; V141-T143 VanDerWaalsContact C-N 3.27Å; V141-T143 PolarHBondContact O-N 3.45Å; V141-I144 PolarHBondContact O-N 3.26Å; V141-I144 VanDerWaalsContact O-N 3.11Å; V141-I145 HydrophobicContact CG1-CD1 3.75Å; V141-I145 HydrophobicContact CG1-CG1 4.34Å; V141-I145 WeakPolarHBondContact O-CG1 3.33Å; V141-I145 PolarHBondContact O-N 3.35Å
142K89.1Confident83.5Confident143 Ų14373 Ų7362%0.62238%0.381SS*.Hα-helixtrans-57.2-40.4176.4-74173.4-176.2173.10112.3E138 T139 V140 I145 G146E138-K142 WeakPolarHBondContact O-CG 3.36Å; E138-K142 PolarHBondContact O-N 2.93Å; T139-K142 PolarHBondContact O-N 3.3Å; V140-K142 PolarHBondContact O-N 3.21Å; K142-I145 PolarHBondContact O-N 3.12Å; K142-G146 PolarHBondContact O-N 3.39Å
143T89.3Confident84.6Confident72 Ų7266.4 Ų66.444%0.44235%0.347SS..Hα-helixtrans-65.4-39.6177.9-56.10000111.8T139 V140 V141 G146 S147T139-T143 PolarHBondContact O-N 3.02Å; T139-T143 PolarHBondContact O-OG1 3.4Å; V140-T143 WeakPolarHBondContact O-CB 3.32Å; V140-T143 PolarHBondContact O-N 3.49Å; V141-T143 VanDerWaalsContact C-N 3.27Å; V141-T143 PolarHBondContact O-N 3.45Å; T143-G146 PolarHBondContact O-N 2.93Å; T143-S147 PolarHBondContact O-N 2.82Å; T143-S147 PolarHBondContact O-OG 3.31Å
144I89.3Confident85.4Confident3 Ų362.5 Ų62.52%0.01534%0.337CS..Hα-helixtrans-70.3-40177.4-66164.7000110.8V87 L91 V117 I120 A121 V140 V141 G146 S147 A148V87-I144 HydrophobicContact CG1-CB 4.38Å; V87-I144 HydrophobicContact CG1-CG1 4.06Å; V87-I144 HydrophobicContact CG1-CG2 3.96Å; L91-I144 HydrophobicContact CD1-CG2 4.44Å; L91-I144 HydrophobicContact CD2-CG2 4Å; L91-I144 HydrophobicContact CG-CG2 4.46Å; V117-I144 HydrophobicContact CG1-CB 4.2Å; V117-I144 HydrophobicContact CG1-CG2 3.83Å; I120-I144 HydrophobicContact CG2-CD1 4.12Å; A121-I144 VanDerWaalsContact CA-CD1 3.43Å; A121-I144 HydrophobicContact CB-CD1 3.65Å; V140-I144 HydrophobicContact CG1-CD1 3.97Å; V140-I144 WeakPolarHBondContact O-CG1 3.48Å; V140-I144 PolarHBondContact O-N 3.27Å; V141-I144 PolarHBondContact O-N 3.26Å; V141-I144 VanDerWaalsContact O-N 3.11Å; I144-G146 VanDerWaalsContact C-N 3.32Å; I144-G146 PolarHBondContact O-N 3Å; I144-S147 CarbonylContact O-C 3.54Å; I144-S147 WeakPolarHBondContact O-CA 3.4Å; I144-S147 WeakPolarHBondContact O-CB 3.43Å; I144-S147 PolarHBondContact O-N 3.12Å; I144-S147 VanDerWaalsContact O-N 3.09Å; I144-A148 PolarHBondContact O-N 2.64Å
145I90.1Very high86.4Confident57 Ų5757.1 Ų57.129%0.29231%0.309SS..Hα-helixtrans-59.5-44.2173.7-66.4167.9000110.6V117 V141 K142 S147 A148 R149 V155V117-I145 HydrophobicContact CG1-CG1 4.09Å; V141-I145 HydrophobicContact CG1-CD1 3.75Å; V141-I145 HydrophobicContact CG1-CG1 4.34Å; V141-I145 WeakPolarHBondContact O-CG1 3.33Å; V141-I145 PolarHBondContact O-N 3.35Å; K142-I145 PolarHBondContact O-N 3.12Å; I145-S147 VanDerWaalsContact C-N 3.27Å; I145-S147 PolarHBondContact O-N 2.93Å; I145-A148 WeakPolarHBondContact O-CB 3.41Å; I145-A148 PolarHBondContact O-N 2.93Å; I145-A148 VanDerWaalsContact O-N 3.16Å; I145-R149 PolarHBondContact O-N 2.89Å; I145-V155 HydrophobicContact CG2-CG2 4.47Å
146G89.8Confident87Confident39 Ų3957 Ų5740%0.40231%0.309SS..Hα-helixtrans-59.2-39.4174.100000112.7K142 T143 I144 R149 S150K142-G146 PolarHBondContact O-N 3.39Å; T143-G146 PolarHBondContact O-N 2.93Å; I144-G146 VanDerWaalsContact C-N 3.32Å; I144-G146 PolarHBondContact O-N 3Å; G146-R149 PolarHBondContact O-N 3.36Å; G146-S150 PolarHBondContact O-N 3.06Å
147S89.6Confident86.8Confident34 Ų3459.9 Ų59.924%0.23832%0.319CS..Hα-helixtrans-70.3-30.7176.1-55.50000113.1T143 I144 I145 S150 L151T143-S147 PolarHBondContact O-N 2.82Å; T143-S147 PolarHBondContact O-OG 3.31Å; I144-S147 CarbonylContact O-C 3.54Å; I144-S147 WeakPolarHBondContact O-CA 3.4Å; I144-S147 WeakPolarHBondContact O-CB 3.43Å; I144-S147 PolarHBondContact O-N 3.12Å; I144-S147 VanDerWaalsContact O-N 3.09Å; I145-S147 VanDerWaalsContact C-N 3.27Å; I145-S147 PolarHBondContact O-N 2.93Å; S147-S150 PolarHBondContact O-OG 2.52Å; S147-L151 WeakPolarHBondContact O-CG 3.09Å; S147-L151 PolarHBondContact O-N 3.44Å
148A89.1Confident86.3Confident0 Ų062.4 Ų62.40%033%0.333CS..Hα-helixtrans-67.6-43.9173.400000111.1L91 I144 I145 S150 L151 G152 I153 V155L91-A148 HydrophobicContact CD1-CB 3.88Å; L91-A148 HydrophobicContact CD2-CB 4.23Å; I144-A148 PolarHBondContact O-N 2.64Å; I145-A148 WeakPolarHBondContact O-CB 3.41Å; I145-A148 PolarHBondContact O-N 2.93Å; I145-A148 VanDerWaalsContact O-N 3.16Å; A148-S150 VanDerWaalsContact C-N 3.32Å; A148-S150 PolarHBondContact O-N 2.87Å; A148-L151 PolarHBondContact O-N 3.23Å; A148-G152 PolarHBondContact O-N 3.06Å; A148-I153 CarbonylContact C-O 3.47Å; A148-I153 HydrophobicContact CB-CB 4.17Å; A148-I153 HydrophobicContact CB-CG2 4.39Å; A148-I153 PolarHBondContact O-N 3.37Å; A148-V155 HydrophobicContact CB-CG2 4.06Å
149R88.7Confident85.3Confident193 Ų19358.9 Ų58.973%0.72832%0.318SS*.Hα-helixtrans-59.7-41176.4-69.5-179.370.2-168.92.1112.3I145 G146 L151 G152I145-R149 PolarHBondContact O-N 2.89Å; G146-R149 PolarHBondContact O-N 3.36Å; R149-L151 PolarHBondContact O-N 2.97Å; R149-G152 PolarHBondContact O-N 3.05Å; R149-G152 VanDerWaalsContact O-N 3.08Å
150S87.4Confident84.5Confident81 Ų8158.2 Ų58.257%0.56632%0.316SS*.Hα-helixtrans-71.3-15.1177.765.80000114.1T104 G146 S147 A148T104-S150 WeakPolarHBondContact CG2-O 3.35Å; G146-S150 PolarHBondContact O-N 3.06Å; S147-S150 PolarHBondContact O-OG 2.52Å; A148-S150 VanDerWaalsContact C-N 3.32Å; A148-S150 PolarHBondContact O-N 2.87Å
151L84.6Confident83.5Confident30 Ų3061.4 Ų61.416%0.15734%0.343CS..THydrogen-bonded Turntrans-92.5-5.2171-68.4169.8000112.8L91 A101 S147 A148 R149 I153L91-L151 HydrophobicContact CB-CD1 4.25Å; L91-L151 HydrophobicContact CD1-CD1 3.98Å; A101-L151 PolarHBondContact N-O 3.43Å; S147-L151 WeakPolarHBondContact O-CG 3.09Å; S147-L151 PolarHBondContact O-N 3.44Å; A148-L151 PolarHBondContact O-N 3.23Å; R149-L151 PolarHBondContact O-N 2.97Å; L151-I153 VanDerWaalsContact C-N 3.34Å; L151-I153 HydrophobicContact CB-CD1 4.02Å; L151-I153 HydrophobicContact CB-CG1 4.09Å; L151-I153 HydrophobicContact CD1-CD1 4.27Å
152G84Confident82.3Confident8 Ų865.5 Ų65.58%0.08236%0.363CS..THydrogen-bonded Turntrans75.124.1-172.600000112.9T108 A109 A148 R149T108-G152 CarbonylContact C-O 3.56Å; T108-G152 WeakPolarHBondContact CA-O 3.4Å; A109-G152 PolarHBondContact N-O 3.3Å; A148-G152 PolarHBondContact O-N 3.06Å; R149-G152 PolarHBondContact O-N 3.05Å; R149-G152 VanDerWaalsContact O-N 3.08Å
153I87.1Confident81.1Confident3 Ų364.8 Ų64.82%0.01536%0.362CS..EExtended strand (participates in β ladder)trans-93.4127.1176.2-61.6171.1000108.5L91 A95 I97 G110 V112 A148 L151L91-I153 HydrophobicContact CB-CD1 3.78Å; A95-I153 HydrophobicContact CB-CD1 4.46Å; I97-I153 HydrophobicContact CD1-CD1 3.96Å; I97-I153 HydrophobicContact CD1-CG1 3.98Å; G110-I153 CarbonylContact O-C 3.57Å; G110-I153 VanDerWaalsContact O-CA 3.28Å; G110-I153 WeakPolarHBondContact O-CA 3.36Å; V112-I153 HydrophobicContact CB-CG2 4.07Å; V112-I153 HydrophobicContact CG2-CG2 3.51Å; A148-I153 CarbonylContact C-O 3.47Å; A148-I153 HydrophobicContact CB-CB 4.17Å; A148-I153 HydrophobicContact CB-CG2 4.39Å; A148-I153 PolarHBondContact O-N 3.37Å; L151-I153 VanDerWaalsContact C-N 3.34Å; L151-I153 HydrophobicContact CB-CD1 4.02Å; L151-I153 HydrophobicContact CB-CG1 4.09Å; L151-I153 HydrophobicContact CD1-CD1 4.27Å
154Q86.8Confident79.9Confident94 Ų9463 Ų6344%0.43935%0.348SS..EExtended strand (participates in β ladder)trans-89.6131.2176.9-172.8171.5-0.600110.2T108 G110 M111 V112 V156T108-Q154 HydrophobicContact CG2-CB 4.42Å; G110-Q154 PolarHBondContact O-N 3.46Å; M111-Q154 CarbonylContact C-O 3.58Å; M111-Q154 VanDerWaalsContact CA-O 3.24Å; M111-Q154 WeakPolarHBondContact CA-O 3.35Å; M111-Q154 HydrophobicContact CG-CB 4.33Å; V112-Q154 PolarHBondContact N-O 3.16Å; Q154-V156 HydrophobicContact CG-CG2 4.32Å
155V86.9Confident78.8Confident41 Ų4168.4 Ų68.425%0.24837%0.371CS..EExtended strand (participates in β ladder)trans-92.4124.7176.1-175.90000108.5V112 V114 V117 I145 A148V112-V155 CarbonylContact O-C 3.59Å; V112-V155 VanDerWaalsContact O-CA 3.29Å; V112-V155 WeakPolarHBondContact O-CA 3.33Å; V114-V155 HydrophobicContact CG2-CG1 3.75Å; V117-V155 HydrophobicContact CG2-CG1 4.24Å; V117-V155 HydrophobicContact CG2-CG2 4.4Å; I145-V155 HydrophobicContact CG2-CG2 4.47Å; A148-V155 HydrophobicContact CB-CG2 4.06Å
156V85.7Confident77.6Confident39 Ų3969.1 Ų69.124%0.23638%0.378CS..EExtended strand (participates in β ladder)trans-120.2147.6-178.2-169.80000109.3M111 V112 S113 V114 Q154 D158 L159M111-V156 HydrophobicContact CB-CG2 4.34Å; M111-V156 HydrophobicContact CG-CG2 4.35Å; M111-V156 HydrophobicContact SD-CG2 4.13Å; V112-V156 PolarHBondContact O-N 2.88Å; S113-V156 CarbonylContact C-O 3.57Å; S113-V156 VanDerWaalsContact CA-O 3.27Å; S113-V156 WeakPolarHBondContact CA-O 3.47Å; V114-V156 PolarHBondContact N-O 2.85Å; V114-V156 VanDerWaalsContact N-O 3.08Å; Q154-V156 HydrophobicContact CG-CG2 4.32Å; V156-D158 VanDerWaalsContact CG1-O 3.28Å; V156-D158 WeakPolarHBondContact CG1-O 3.28Å; V156-L159 HydrophobicContact CB-CD1 4.49Å
157N79.3Confident76.6Confident120 Ų12068.8 Ų68.864%0.64237%0.366SS*.SBendtrans-73.4-50.9-179.2-72.2-10.7000111.7V114V114-N157 WeakPolarHBondContact CG2-OD1 3.19Å
158D69.5Low75.6Confident131 Ų13170 Ų7070%0.70137%0.369SS*.SBendtrans-119.8123.5178-60.3-58.9000108.7V156V156-D158 VanDerWaalsContact CG1-O 3.28Å; V156-D158 WeakPolarHBondContact CG1-O 3.28Å
159L66.2Low74.7Confident62 Ų6276 Ų7633%0.32540%0.397SS..  trans-115.5114.2179.9-164.574.1000107.6M111 V156 Y164M111-L159 HydrophobicContact CB-CD1 3.88Å; M111-L159 HydrophobicContact SD-CD1 4.25Å; V156-L159 HydrophobicContact CB-CD1 4.49Å; L159-Y164 HydrophobicContact CD1-CD2 4.22Å; L159-Y164 HydrophobicContact CD2-CD2 3.79Å; L159-Y164 HydrophobicContact CD2-CE2 4.23Å; L159-Y164 HydrophobicContact CD2-CG 4.31Å; L159-Y164 HydrophobicContact CG-CD2 4.31Å
160S68.5Low73.8Confident48 Ų4871.6 Ų71.634%0.33639%0.385SS..  trans-81.8141171.778.90000109.9D162 E163 Y164S160-D162 PolarHBondContact O-N 3.2Å; S160-E163 WeakPolarHBondContact CB-OE2 3.24Å; S160-E163 WeakPolarHBondContact OG-CB 3.42Å; S160-E163 WeakPolarHBondContact OG-CG 3.4Å; S160-E163 PolarHBondContact OG-OE2 2.87Å; S160-Y164 PolarHBondContact O-N 3.38Å
161A63.7Low72.8Confident68 Ų6869 Ų6956%0.56236%0.362SS*.Hα-helixtrans-66.3-23.4-174.400000113K165A161-K165 WeakPolarHBondContact O-CG 3.26Å; A161-K165 PolarHBondContact O-N 3.09Å
162D63.5Low72.1Confident109 Ų10973.2 Ų73.258%0.58338%0.381SS*.Hα-helixtrans-85.5-38.5-176.1-59.4-39.9000111.8S160 Y164 K165 V166S160-D162 PolarHBondContact O-N 3.2Å; D162-Y164 PolarHBondContact O-N 3.44Å; D162-K165 PolarHBondContact O-N 2.99Å; D162-K165 IonicContact OD1-NZ 2.73Å; D162-V166 WeakPolarHBondContact O-CG2 3.28Å; D162-V166 PolarHBondContact O-N 3.07Å
163E63.9Low71.4Confident128 Ų12879.4 Ų79.460%0.59841%0.408SS*.Hα-helixtrans-60.9-34.1170.9-70.9167.1156.100111.6S160 F167S160-E163 WeakPolarHBondContact CB-OE2 3.24Å; S160-E163 WeakPolarHBondContact OG-CB 3.42Å; S160-E163 WeakPolarHBondContact OG-CG 3.4Å; S160-E163 PolarHBondContact OG-OE2 2.87Å; E163-F167 WeakPolarHBondContact O-CB 3.47Å; E163-F167 PolarHBondContact O-N 3.13Å
164Y64.2Low70.5Confident34 Ų3485.2 Ų85.213%0.13343%0.433CS..Hα-helixtrans-68.5-37.7178.9-158-107.3000113.1A95 M111 L159 S160 D162 F167 L168A95-Y164 WeakPolarHBondContact CA-OH 3.45Å; A95-Y164 PolarHBondContact O-OH 2.84Å; M111-Y164 HydrophobicContact CB-CD2 4.33Å; M111-Y164 HydrophobicContact CB-CE2 3.94Å; M111-Y164 WeakPolarHBondContact O-CE2 3.32Å; L159-Y164 HydrophobicContact CD1-CD2 4.22Å; L159-Y164 HydrophobicContact CD2-CD2 3.79Å; L159-Y164 HydrophobicContact CD2-CE2 4.23Å; L159-Y164 HydrophobicContact CD2-CG 4.31Å; L159-Y164 HydrophobicContact CG-CD2 4.31Å; S160-Y164 PolarHBondContact O-N 3.38Å; D162-Y164 PolarHBondContact O-N 3.44Å; Y164-F167 PolarHBondContact O-N 3.16Å; Y164-L168 HydrophobicContact CD1-CD1 3.79Å; Y164-L168 HydrophobicContact CD1-CG 4.15Å; Y164-L168 HydrophobicContact CE1-CD1 3.7Å; Y164-L168 HydrophobicContact CE1-CD2 4.13Å; Y164-L168 HydrophobicContact CE1-CG 3.95Å; Y164-L168 WeakPolarHBondContact O-CG 3.48Å; Y164-L168 PolarHBondContact O-N 3.22Å
165K65.6Low69.7Low118 Ų11884.2 Ų84.251%0.51343%0.431SS..Hα-helixtrans-67.4-45.3178.3-70.1169-171.5164.20111.4A161 D162 F167 L168 E169A161-K165 WeakPolarHBondContact O-CG 3.26Å; A161-K165 PolarHBondContact O-N 3.09Å; D162-K165 PolarHBondContact O-N 2.99Å; D162-K165 IonicContact OD1-NZ 2.73Å; K165-F167 PolarHBondContact O-N 3.48Å; K165-L168 PolarHBondContact O-N 3.01Å; K165-L168 VanDerWaalsContact O-N 3.12Å; K165-E169 PolarHBondContact O-N 2.8Å
166V66.7Low68.8Low72 Ų7289 Ų8944%0.43645%0.448SS..Hα-helixtrans-60.3-39.5176.1177.70000110.6D162 E169 Q170D162-V166 WeakPolarHBondContact O-CG2 3.28Å; D162-V166 PolarHBondContact O-N 3.07Å; V166-E169 PolarHBondContact O-N 3.25Å; V166-Q170 WeakPolarHBondContact O-CB 3.49Å; V166-Q170 VanDerWaalsContact O-CG 3.26Å; V166-Q170 WeakPolarHBondContact O-CG 3.33Å; V166-Q170 PolarHBondContact O-N 2.79Å
167F67.5Low68.1Low31 Ų3190 Ų9014%0.13646%0.46CS..Hα-helixtrans-65.3-39.2175.8-177-94000113T108 E163 Y164 K165 R171T108-F167 WeakPolarHBondContact O-CZ 3.46Å; E163-F167 WeakPolarHBondContact O-CB 3.47Å; E163-F167 PolarHBondContact O-N 3.13Å; Y164-F167 PolarHBondContact O-N 3.16Å; K165-F167 PolarHBondContact O-N 3.48Å; F167-R171 WeakPolarHBondContact O-CB 3.41Å; F167-R171 PolarHBondContact O-N 3.03Å
168L69.8Low67.5Low60 Ų6086.7 Ų86.731%0.31444%0.443SS..Hα-helixtrans-66-43.1176.9-72.4174000111.8Y164 K165 R171 E172Y164-L168 HydrophobicContact CD1-CD1 3.79Å; Y164-L168 HydrophobicContact CD1-CG 4.15Å; Y164-L168 HydrophobicContact CE1-CD1 3.7Å; Y164-L168 HydrophobicContact CE1-CD2 4.13Å; Y164-L168 HydrophobicContact CE1-CG 3.95Å; Y164-L168 WeakPolarHBondContact O-CG 3.48Å; Y164-L168 PolarHBondContact O-N 3.22Å; K165-L168 PolarHBondContact O-N 3.01Å; K165-L168 VanDerWaalsContact O-N 3.12Å; L168-R171 PolarHBondContact O-N 3.16Å; L168-R171 VanDerWaalsContact O-N 3.16Å; L168-E172 PolarHBondContact O-N 3.24Å
169E69.4Low67.3Low126 Ų12683.1 Ų83.159%0.58943%0.431SS*.Hα-helixtrans-61.5-48.8176.7-71174.2178.200111.5K165 V166 R171 E172 E173K165-E169 PolarHBondContact O-N 2.8Å; V166-E169 PolarHBondContact O-N 3.25Å; E169-R171 PolarHBondContact O-N 3.45Å; E169-E172 PolarHBondContact O-N 3.25Å; E169-E172 VanDerWaalsContact O-N 3.13Å; E169-E173 PolarHBondContact O-N 2.99Å; E169-E173 VanDerWaalsContact O-N 3.16Å
170Q69Low67.3Low100 Ų10083.2 Ų83.247%0.46744%0.441SS..Hα-helixtrans-59.8-32.1174.9-71.3175.5400112.5V166 K174V166-Q170 WeakPolarHBondContact O-CB 3.49Å; V166-Q170 VanDerWaalsContact O-CG 3.26Å; V166-Q170 WeakPolarHBondContact O-CG 3.33Å; V166-Q170 PolarHBondContact O-N 2.79Å; Q170-K174 WeakPolarHBondContact O-CG 3.28Å; Q170-K174 PolarHBondContact O-N 2.98Å
171R67.3Low67.2Low26 Ų2683.6 Ų83.610%0.09845%0.447CS..Hα-helixtrans-75.5-38.7176.9-174.559.4177168.11.8111.6E107 F167 L168 E169 E173 K174 L175E107-R171 IonicContact OE2-CZ 2.76Å; E107-R171 IonicContact OE2-NH1 3.8Å; E107-R171 PolarHBondContact OE2-NH1 3.43Å; E107-R171 IonicContact OE2-NH2 3.55Å; F167-R171 WeakPolarHBondContact O-CB 3.41Å; F167-R171 PolarHBondContact O-N 3.03Å; L168-R171 PolarHBondContact O-N 3.16Å; L168-R171 VanDerWaalsContact O-N 3.16Å; E169-R171 PolarHBondContact O-N 3.45Å; R171-E173 VanDerWaalsContact C-N 3.3Å; R171-E173 PolarHBondContact O-N 3.08Å; R171-K174 PolarHBondContact O-N 3.33Å; R171-L175 VanDerWaalsContact O-CB 3.32Å; R171-L175 WeakPolarHBondContact O-CB 3.48Å; R171-L175 PolarHBondContact O-N 3Å
172E69.3Low67.1Low119 Ų11981.9 Ų81.956%0.55643%0.433SS*.Hα-helixtrans-59.7-42.2175.6-76.1-167.6178.500111.7L168 E169 L175 K176L168-E172 PolarHBondContact O-N 3.24Å; E169-E172 PolarHBondContact O-N 3.25Å; E169-E172 VanDerWaalsContact O-N 3.13Å; E172-L175 PolarHBondContact O-N 2.93Å; E172-K176 WeakPolarHBondContact O-CB 3.48Å; E172-K176 VanDerWaalsContact O-CG 3.28Å; E172-K176 WeakPolarHBondContact O-CG 3.38Å; E172-K176 PolarHBondContact O-N 3.34Å
173E68.9Low67.1Low138 Ų13879.7 Ų79.765%0.64543%0.43SS*.Hα-helixtrans-61.9-46174.9-67.5-176.6163.300111.8E169 R171 L175 K176 A177E169-E173 PolarHBondContact O-N 2.99Å; E169-E173 VanDerWaalsContact O-N 3.16Å; R171-E173 VanDerWaalsContact C-N 3.3Å; R171-E173 PolarHBondContact O-N 3.08Å; E173-L175 VanDerWaalsContact C-N 3.35Å; E173-L175 PolarHBondContact O-N 3.45Å; E173-K176 PolarHBondContact O-N 2.79Å; E173-A177 PolarHBondContact O-N 3.15Å
174K69.6Low67Low125 Ų12576.7 Ų76.754%0.54343%0.427SS..Hα-helixtrans-63.1-39.7175.7-75.3178.3179.8175.50112.5Q170 R171 K176 A177 D178Q170-K174 WeakPolarHBondContact O-CG 3.28Å; Q170-K174 PolarHBondContact O-N 2.98Å; R171-K174 PolarHBondContact O-N 3.33Å; K174-K176 VanDerWaalsContact C-N 3.34Å; K174-A177 PolarHBondContact O-N 3.33Å; K174-D178 WeakPolarHBondContact O-CB 3.13Å; K174-D178 VanDerWaalsContact O-CG 3.27Å; K174-D178 PolarHBondContact O-N 3.34Å
175L69.1Low66.8Low74 Ų7477.5 Ų77.539%0.38744%0.441SS..Hα-helixtrans-71-33.2-179.2-141.1151000111.3R171 E172 E173 A179R171-L175 VanDerWaalsContact O-CB 3.32Å; R171-L175 WeakPolarHBondContact O-CB 3.48Å; R171-L175 PolarHBondContact O-N 3Å; E172-L175 PolarHBondContact O-N 2.93Å; E173-L175 VanDerWaalsContact C-N 3.35Å; E173-L175 PolarHBondContact O-N 3.45Å; L175-A179 WeakPolarHBondContact O-CB 3.49Å; L175-A179 PolarHBondContact O-N 2.96Å
176K69.1Low66.6Low141 Ų14174.5 Ų74.561%0.61344%0.438SS*.Hα-helixtrans-65.2-43.8169.8-72.8171.7-171.6168.70111.2E172 E173 K174 A179 A180E172-K176 WeakPolarHBondContact O-CB 3.48Å; E172-K176 VanDerWaalsContact O-CG 3.28Å; E172-K176 WeakPolarHBondContact O-CG 3.38Å; E172-K176 PolarHBondContact O-N 3.34Å; E173-K176 PolarHBondContact O-N 2.79Å; K174-K176 VanDerWaalsContact C-N 3.34Å; K176-A179 PolarHBondContact O-N 2.86Å; K176-A180 WeakPolarHBondContact O-CB 3.19Å; K176-A180 PolarHBondContact O-N 2.97Å
177A70.1Confident66.2Low59 Ų5973.8 Ų73.849%0.48844%0.44SS..Hα-helixtrans-63.5-43.7174.800000112.3E173 K174 A180 A181E173-A177 PolarHBondContact O-N 3.15Å; K174-A177 PolarHBondContact O-N 3.33Å; A177-A180 PolarHBondContact O-N 3.4Å; A177-A181 WeakPolarHBondContact O-CB 3.29Å; A177-A181 PolarHBondContact O-N 2.92Å
178D65.9Low65.7Low51 Ų5175 Ų7527%0.27346%0.455SS..Hα-helixtrans-67.5-35.9177.6-75.3-30000112.6K174 A181 A182K174-D178 WeakPolarHBondContact O-CB 3.13Å; K174-D178 VanDerWaalsContact O-CG 3.27Å; K174-D178 PolarHBondContact O-N 3.34Å; D178-A181 PolarHBondContact O-N 3.48Å; D178-A182 WeakPolarHBondContact O-CB 3.39Å; D178-A182 PolarHBondContact O-N 3.24Å
179A66.1Low65.1Low56 Ų5679.3 Ų79.346%0.46347%0.474SS..Hα-helixtrans-67.3-41.2174.500000111L175 K176 A182 A183L175-A179 WeakPolarHBondContact O-CB 3.49Å; L175-A179 PolarHBondContact O-N 2.96Å; K176-A179 PolarHBondContact O-N 2.86Å; A179-A182 PolarHBondContact O-N 3.38Å; A179-A183 VanDerWaalsContact O-CB 3.3Å; A179-A183 WeakPolarHBondContact O-CB 3.3Å; A179-A183 PolarHBondContact O-N 3.32Å
180A66.6Low64.4Low64 Ų6476.6 Ų76.653%0.52947%0.473SS..Hα-helixtrans-62.8-44.2173.300000111.5K176 A177 A183 A184K176-A180 WeakPolarHBondContact O-CB 3.19Å; K176-A180 PolarHBondContact O-N 2.97Å; A177-A180 PolarHBondContact O-N 3.4Å; A180-A183 PolarHBondContact O-N 2.85Å; A180-A184 WeakPolarHBondContact O-CB 3.32Å; A180-A184 PolarHBondContact O-N 3.42Å
181A65.5Low63.7Low56 Ų5676.6 Ų76.646%0.46348%0.48SS..Hα-helixtrans-65.7-39.217600000112.6A177 D178 A184 A185A177-A181 WeakPolarHBondContact O-CB 3.29Å; A177-A181 PolarHBondContact O-N 2.92Å; D178-A181 PolarHBondContact O-N 3.48Å; A181-A184 PolarHBondContact O-N 2.91Å; A181-A185 WeakPolarHBondContact O-CB 3.44Å; A181-A185 PolarHBondContact O-N 3.48Å
182A62.7Low63Low33 Ų3378.5 Ų78.527%0.27350%0.501SS..Hα-helixtrans-69-36.7175.800000112.3D178 A179 A185 A186D178-A182 WeakPolarHBondContact O-CB 3.39Å; D178-A182 PolarHBondContact O-N 3.24Å; A179-A182 PolarHBondContact O-N 3.38Å; A182-A185 PolarHBondContact O-N 2.89Å; A182-A186 VanDerWaalsContact O-CB 3.29Å; A182-A186 WeakPolarHBondContact O-CB 3.4Å; A182-A186 PolarHBondContact O-N 2.79Å
183A62Low62Low63 Ų6375.7 Ų75.752%0.52150%0.504SS..Hα-helixtrans-65.6-41.2173.400000111.3A179 A180 A186 A187A179-A183 VanDerWaalsContact O-CB 3.3Å; A179-A183 WeakPolarHBondContact O-CB 3.3Å; A179-A183 PolarHBondContact O-N 3.32Å; A180-A183 PolarHBondContact O-N 2.85Å; A183-A186 PolarHBondContact O-N 3.4Å; A183-A187 VanDerWaalsContact O-CB 3.32Å; A183-A187 WeakPolarHBondContact O-CB 3.18Å; A183-A187 PolarHBondContact O-N 2.85Å
184A61.7Low60.9Low65 Ų6578.4 Ų78.454%0.53751%0.514SS..Hα-helixtrans-63.9-41.2173.700000112.2A180 A181 A187 A188A180-A184 WeakPolarHBondContact O-CB 3.32Å; A180-A184 PolarHBondContact O-N 3.42Å; A181-A184 PolarHBondContact O-N 2.91Å; A184-A187 PolarHBondContact O-N 3Å; A184-A188 PolarHBondContact O-N 3.44Å
185A61.3Low59.7Low50 Ų5083.6 Ų83.641%0.41353%0.53SS..Hα-helixtrans-67.6-42.1176.500000112.6A181 A182 A187 A188 E189A181-A185 WeakPolarHBondContact O-CB 3.44Å; A181-A185 PolarHBondContact O-N 3.48Å; A182-A185 PolarHBondContact O-N 2.89Å; A185-A187 VanDerWaalsContact C-N 3.32Å; A185-A187 PolarHBondContact O-N 3.34Å; A185-A188 WeakPolarHBondContact O-CB 3.31Å; A185-A188 PolarHBondContact O-N 3.4Å; A185-E189 PolarHBondContact O-N 2.96Å
186A60.3Low58.3Low55 Ų5592.5 Ų92.546%0.45557%0.566SS.*Hα-helixtrans-66.3-35175.900000111.9A182 A183 E189 A190A182-A186 VanDerWaalsContact O-CB 3.29Å; A182-A186 WeakPolarHBondContact O-CB 3.4Å; A182-A186 PolarHBondContact O-N 2.79Å; A183-A186 PolarHBondContact O-N 3.4Å; A186-E189 PolarHBondContact O-N 2.76Å; A186-A190 VanDerWaalsContact O-CB 3.31Å; A186-A190 WeakPolarHBondContact O-CB 3.48Å; A186-A190 PolarHBondContact O-N 3.09Å
187A59Low57.7Low57 Ų5790.1 Ų90.147%0.47156%0.563SS.*Hα-helixtrans-65.3-40.3172.200000111.6A183 A184 A185 A190 T191A183-A187 VanDerWaalsContact O-CB 3.32Å; A183-A187 WeakPolarHBondContact O-CB 3.18Å; A183-A187 PolarHBondContact O-N 2.85Å; A184-A187 PolarHBondContact O-N 3Å; A185-A187 VanDerWaalsContact C-N 3.32Å; A185-A187 PolarHBondContact O-N 3.34Å; A187-A190 PolarHBondContact O-N 3.22Å; A187-T191 PolarHBondContact O-N 3.14Å; A187-T191 PolarHBondContact O-OG1 3.01Å; A187-T191 VanDerWaalsContact O-OG1 3.14Å
188A57.3Low57.1Low56 Ų5691.7 Ų91.746%0.46357%0.567SS.*Hα-helixtrans-64.2-43.2174.700000112.3A184 A185 T191 A192A184-A188 PolarHBondContact O-N 3.44Å; A185-A188 WeakPolarHBondContact O-CB 3.31Å; A185-A188 PolarHBondContact O-N 3.4Å; A188-T191 WeakPolarHBondContact CA-OG1 3.4Å; A188-T191 PolarHBondContact O-N 3.48Å; A188-T191 PolarHBondContact O-OG1 3.48Å; A188-A192 PolarHBondContact O-N 2.92Å; A188-A192 VanDerWaalsContact O-N 3.09Å
189E56.4Low56.6Low152 Ų15294 Ų9471%0.7158%0.584SS**Hα-helixtrans-65.6-38.2174.8-79-178.8157.200112.5A185 A186 T191 A192 G193A185-E189 PolarHBondContact O-N 2.96Å; A186-E189 PolarHBondContact O-N 2.76Å; E189-T191 VanDerWaalsContact C-N 3.34Å; E189-T191 PolarHBondContact O-N 3.19Å; E189-A192 PolarHBondContact O-N 3.47Å; E189-G193 PolarHBondContact O-N 3.29Å
190A55.6Low56Low68 Ų6896.2 Ų96.256%0.56259%0.591SS**Hα-helixtrans-66.3-33.9175.300000112.8A186 A187A186-A190 VanDerWaalsContact O-CB 3.31Å; A186-A190 WeakPolarHBondContact O-CB 3.48Å; A186-A190 PolarHBondContact O-N 3.09Å; A187-A190 PolarHBondContact O-N 3.22Å
191T53.6Low55.4Low100 Ų10098.3 Ų98.361%0.61360%0.595SS**Hα-helixtrans-72.4-27.2172.249.40000113.4A187 A188 E189A187-T191 PolarHBondContact O-N 3.14Å; A187-T191 PolarHBondContact O-OG1 3.01Å; A187-T191 VanDerWaalsContact O-OG1 3.14Å; A188-T191 WeakPolarHBondContact CA-OG1 3.4Å; A188-T191 PolarHBondContact O-N 3.48Å; A188-T191 PolarHBondContact O-OG1 3.48Å; E189-T191 VanDerWaalsContact C-N 3.34Å; E189-T191 PolarHBondContact O-N 3.19Å
192A52.4Low54.7Low67 Ų67101.1 Ų101.155%0.55460%0.603SS**Hα-helixtrans-79.7-36.1176.700000112.8A188 E189 K194 R195A188-A192 PolarHBondContact O-N 2.92Å; A188-A192 VanDerWaalsContact O-N 3.09Å; E189-A192 PolarHBondContact O-N 3.47Å; A192-K194 PolarHBondContact O-N 2.94Å; A192-R195 PolarHBondContact O-N 3.29Å
193G47.9Very low54.1Low59 Ų59105.9 Ų105.961%0.60863%0.627SS**Hα-helixtrans-68.4-16.7178.100000114.9E189 R195E189-G193 PolarHBondContact O-N 3.29Å; G193-R195 VanDerWaalsContact C-N 3.35Å
194K47.3Very low53.5Low195 Ų195109.2 Ų109.285%0.84864%0.635SS**THydrogen-bonded Turntrans-86.9-2.1177.5-136.8174.6-174179.90113.8A192A192-K194 PolarHBondContact O-N 2.94Å
195R44.2Very low52.8Low235 Ų235112.9 Ų112.989%0.88764%0.643SS**THydrogen-bonded Turntrans-105.99.9-179.2-83.5-174.7172.9172.4-1114.1A192 G193A192-R195 PolarHBondContact O-N 3.29Å; G193-R195 VanDerWaalsContact C-N 3.35Å
196K38.6Very low52Low261 Ų261118.6 Ų118.6100%1.13566%0.664SS**  trans-118.40176.6-133.6-175.5-174.3-176.20111.3

Retrieved 196 of 196 residues in 582.6 ms (Link to these results)