A0A087XGA4_POEFO Loading...

small monomeric GTPase

AlphaFold DB (A0A671Y372), UniProt , Accession A0A087XGA4, Species POEFO (Poecilia formosa, Amazon molly), Gene RAC1, Length 192 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
1M71.1Confident94.9Very high149 Ų14934.4 Ų34.473%0.73419%0.189SC*.  0118.60-170.8175.5-70.100106.5P50 N52M1-P50 HydrophobicContact CE-CB 4.39Å; M1-P50 HydrophobicContact CG-CB 4.34Å; M1-N52 HydrophobicContact CG-CB 4.13Å; M1-N52 HydrophobicContact SD-CB 3.93Å
2Q90.1Very high94.9Very high97 Ų9734.2 Ų34.245%0.45320%0.201SC..EExtended strand (participates in β ladder)trans-75.9127.6-177.7-177.9168.3-2.800108.9I4 P50 V51 N52 L177Q2-I4 HydrophobicContact CG-CG1 4.35Å; Q2-P50 PolarHBondContact N-O 3.28Å; Q2-V51 WeakPolarHBondContact O-CA 3.28Å; Q2-N52 PolarHBondContact O-N 3.27Å; Q2-L177 VanDerWaalsContact CD-CD2 3.46Å
3A96Very high94.8Very high74 Ų7436 Ų3661%0.61222%0.222SC*.EExtended strand (participates in β ladder)trans-84.1133.1172.500000109N52A3-N52 CarbonylContact C-O 3.55Å; A3-N52 WeakPolarHBondContact CA-O 3.46Å
4I97.9Very high95Very high3 Ų333.6 Ų33.62%0.01521%0.208CC..EExtended strand (participates in β ladder)trans-126.7126.3175.4-65.7-178.7000108.1Q2 V51 N52 L53 G54 D76 V77 I173 V176 L177Q2-I4 HydrophobicContact CG-CG1 4.35Å; I4-V51 HydrophobicContact CB-CG1 4.17Å; I4-V51 HydrophobicContact CD1-CG1 3.75Å; I4-V51 HydrophobicContact CD1-CG2 4.41Å; I4-V51 HydrophobicContact CG1-CG1 3.95Å; I4-N52 PolarHBondContact N-O 3Å; I4-L53 HydrophobicContact CB-CD1 4.1Å; I4-L53 HydrophobicContact CG2-CD1 3.83Å; I4-G54 PolarHBondContact O-N 3.03Å; I4-D76 WeakPolarHBondContact CA-OD2 3.48Å; I4-D76 HydrophobicContact CG2-CB 3.97Å; I4-V77 HydrophobicContact CG2-CG1 4.29Å; I4-I173 HydrophobicContact CD1-CB 4.4Å; I4-I173 HydrophobicContact CD1-CG1 4.34Å; I4-I173 HydrophobicContact CD1-CG2 3.94Å; I4-V176 HydrophobicContact CD1-CB 4.04Å; I4-V176 HydrophobicContact CD1-CG1 4.04Å; I4-V176 HydrophobicContact CG1-CG1 4.24Å; I4-V176 HydrophobicContact CG2-CG2 4.1Å; I4-L177 HydrophobicContact CD1-CD2 4.06Å; I4-L177 HydrophobicContact CD1-CG 4.24Å
5K98Very high95.1Very high30 Ų3032.5 Ų32.513%0.1321%0.205CC..EExtended strand (participates in β ladder)trans-94116173171.1163.8177.8-1750110.9V7 W56 S71 P73 D76 V77K5-V7 HydrophobicContact CG-CG2 4.38Å; K5-W56 HydrophobicContact CB-CE3 4.3Å; K5-W56 HydrophobicContact CB-CH2 4.1Å; K5-W56 HydrophobicContact CB-CZ3 3.74Å; K5-W56 HydrophobicContact CD-CD2 4.09Å; K5-W56 HydrophobicContact CD-CE3 4.12Å; K5-W56 HydrophobicContact CD-CH2 3.89Å; K5-W56 HydrophobicContact CD-CZ2 3.86Å; K5-W56 HydrophobicContact CD-CZ3 3.99Å; K5-W56 HydrophobicContact CG-CD2 3.98Å; K5-W56 HydrophobicContact CG-CE3 3.56Å; K5-W56 HydrophobicContact CG-CH2 3.88Å; K5-W56 HydrophobicContact CG-CZ2 4.27Å; K5-W56 HydrophobicContact CG-CZ3 3.47Å; K5-W56 VanDerWaalsContact CG-CZ3 3.47Å; K5-S71 WeakPolarHBondContact CE-O 3.49Å; K5-S71 PolarHBondContact NZ-O 3.06Å; K5-P73 PolarHBondContact NZ-O 3.37Å; K5-D76 PolarHBondContact N-OD2 3.44Å; K5-D76 WeakPolarHBondContact O-CB 3.49Å; K5-D76 PolarHBondContact O-N 3.19Å; K5-V77 PolarHBondContact O-N 3.31Å
6C98.4Very high95.2Very high0 Ų031.1 Ų31.10%020%0.195CC..EExtended strand (participates in β ladder)trans-111.8119.1175.9176.30000110.4L53 G54 L55 W56 V77C6-L53 HydrophobicContact CB-CD1 3.78Å; C6-G54 PolarHBondContact N-O 3.03Å; C6-L55 HydrophobicContact CB-CD2 4.13Å; C6-L55 WeakPolarHBondContact O-CA 3.45Å; C6-W56 PolarHBondContact O-N 3.1Å; C6-V77 WeakPolarHBondContact CA-O 3.49Å; C6-V77 HydrophobicContact CB-CG1 3.82Å
7V98.6Very high95.2Very high0 Ų030.6 Ų30.60%019%0.192CC..EExtended strand (participates in β ladder)trans-103.4134176179.20000110.2K5 V9 W56 T58 Y72 T75 V77 F78 L79K5-V7 HydrophobicContact CG-CG2 4.38Å; V7-V9 HydrophobicContact CG1-CG1 4.09Å; V7-W56 HydrophobicContact CB-CB 4.3Å; V7-W56 HydrophobicContact CG1-CB 4.37Å; V7-W56 HydrophobicContact CG2-CB 3.81Å; V7-W56 HydrophobicContact CG2-CG 4.19Å; V7-T58 HydrophobicContact CG1-CG2 3.91Å; V7-Y72 HydrophobicContact CG1-CD1 4.04Å; V7-Y72 HydrophobicContact CG1-CE1 3.97Å; V7-T75 HydrophobicContact CB-CG2 3.95Å; V7-T75 HydrophobicContact CG2-CG2 3.63Å; V7-T75 WeakPolarHBondContact CG2-OG1 3.33Å; V7-V77 PolarHBondContact N-O 3.32Å; V7-F78 HydrophobicContact CB-CD1 3.8Å; V7-F78 HydrophobicContact CB-CE1 3.69Å; V7-F78 HydrophobicContact CB-CZ 4.48Å; V7-F78 HydrophobicContact CG1-CD1 4.04Å; V7-F78 HydrophobicContact CG1-CE1 3.76Å; V7-F78 HydrophobicContact CG2-CE1 4.36Å; V7-F78 WeakPolarHBondContact O-CA 3.49Å; V7-L79 PolarHBondContact O-N 2.73Å
8V98.4Very high95.2Very high0 Ų030.1 Ų30.10%019%0.189CC..EExtended strand (participates in β ladder)trans-109.7122.2-179.7-1690000110.1K16 L20 W56 T58 L79 C81V8-K16 HydrophobicContact CG1-CB 3.86Å; V8-K16 HydrophobicContact CG1-CD 4.04Å; V8-K16 HydrophobicContact CG1-CG 3.95Å; V8-L20 HydrophobicContact CB-CD1 4.43Å; V8-L20 HydrophobicContact CG2-CD1 4.06Å; V8-L20 HydrophobicContact CG2-CD2 3.64Å; V8-L20 HydrophobicContact CG2-CG 4.17Å; V8-W56 PolarHBondContact N-O 3.45Å; V8-T58 PolarHBondContact O-OG1 2.62Å; V8-L79 HydrophobicContact CB-CB 4.47Å; V8-L79 HydrophobicContact CG1-CB 4.13Å; V8-L79 HydrophobicContact CG2-CB 4.2Å; V8-L79 HydrophobicContact CG2-CD1 3.95Å; V8-L79 HydrophobicContact CG2-CG 4.28Å; V8-C81 VanDerWaalsContact CG1-SG 3.55Å
9V98.6Very high95.3Very high0 Ų028.6 Ų28.60%018%0.179CC..EExtended strand (participates in β ladder)trans-126.2166.2179.2-560000110.8V7 K16 Y72 F78 L79 I80 C81 W97 V101V7-V9 HydrophobicContact CG1-CG1 4.09Å; V9-K16 VanDerWaalsContact C-CD 3.41Å; V9-Y72 HydrophobicContact CG1-CE1 3.88Å; V9-Y72 WeakPolarHBondContact CG1-OH 3.41Å; V9-F78 HydrophobicContact CG1-CD1 4.4Å; V9-L79 PolarHBondContact N-O 3.01Å; V9-I80 HydrophobicContact CG2-CB 4.39Å; V9-I80 HydrophobicContact CG2-CG1 3.76Å; V9-C81 PolarHBondContact O-N 3.02Å; V9-W97 HydrophobicContact CB-CE3 3.85Å; V9-W97 HydrophobicContact CB-CZ3 4.15Å; V9-W97 HydrophobicContact CG2-CE3 4.14Å; V9-V101 HydrophobicContact CG2-CG2 3.92Å
10G98.4Very high95.3Very high0 Ų027.2 Ų27.20%017%0.17CC..EExtended strand (participates in β ladder)trans140.6168-174.900000111.8K16 G60 C81 W97G10-K16 PolarHBondContact O-NZ 3.04Å; G10-G60 WeakPolarHBondContact O-CA 3.4Å; G10-C81 WeakPolarHBondContact CA-O 3.14Å; G10-W97 WeakPolarHBondContact O-CH2 3.49Å; G10-W97 VanDerWaalsContact O-CZ2 3.24Å; G10-W97 WeakPolarHBondContact O-CZ2 3.32Å
11D98.1Very high95.1Very high25 Ų2527.6 Ų27.613%0.13417%0.171CC..SBendtrans-54.4161-176.2-79.716.1000113.5V14 K16 S89 N92 W97D11-V14 HydrophobicContact CB-CG1 3.59Å; D11-V14 VanDerWaalsContact O-CG2 3.28Å; D11-V14 WeakPolarHBondContact O-CG2 3.42Å; D11-K16 PolarHBondContact O-NZ 3.38Å; D11-S89 VanDerWaalsContact OD2-CA 3.24Å; D11-S89 WeakPolarHBondContact OD2-CA 3.43Å; D11-S89 WeakPolarHBondContact OD2-CB 3.49Å; D11-N92 WeakPolarHBondContact OD1-CB 3.41Å; D11-N92 PolarHBondContact OD1-ND2 2.86Å; D11-N92 PolarHBondContact OD2-ND2 2.9Å; D11-W97 PolarHBondContact OD1-NE1 2.79Å
12G94.8Very high96.2Very high32 Ų3220.5 Ų20.533%0.3314%0.136SC..THydrogen-bonded Turntrans-54.4145.7166.600000111.5V14 G60G12-V14 PolarHBondContact O-N 2.89Å; G12-G60 PolarHBondContact N-O 3.35Å
13A94.4Very high96.5Very high58 Ų5817.1 Ų17.148%0.47912%0.12SC..THydrogen-bonded Turntrans58.710.117500000117.2G15 K116A13-G15 PolarHBondContact O-N 3.19Å; A13-K116 VanDerWaalsContact O-CE 3.25Å; A13-K116 WeakPolarHBondContact O-CE 3.47Å; A13-K116 PolarHBondContact O-NZ 2.86Å
14V97.6Very high96.3Very high3 Ų315.6 Ų15.62%0.01810%0.103CC..SBendtrans-72.2-12.6174.2-57.60000113D11 G12 K16 C81 T115 K116D11-V14 HydrophobicContact CB-CG1 3.59Å; D11-V14 VanDerWaalsContact O-CG2 3.28Å; D11-V14 WeakPolarHBondContact O-CG2 3.42Å; G12-V14 PolarHBondContact O-N 2.89Å; V14-K16 HydrophobicContact CG2-CD 4.34Å; V14-K16 HydrophobicContact CG2-CG 3.69Å; V14-C81 HydrophobicContact CG2-CB 4.09Å; V14-T115 WeakPolarHBondContact O-CB 3.21Å; V14-T115 PolarHBondContact O-OG1 3.19Å; V14-K116 WeakPolarHBondContact O-CE 3.46Å
15G96.3Very high95.9Very high16 Ų1619.1 Ų19.117%0.16512%0.124CC..SBendtrans99.626.5175.500000115.2A13 C18 L19A13-G15 PolarHBondContact O-N 3.19Å; G15-C18 PolarHBondContact O-N 3.24Å; G15-L19 WeakPolarHBondContact O-CB 3.43Å; G15-L19 PolarHBondContact O-N 3.03Å
16K97.1Very high95.5Very high11 Ų1123.5 Ų23.55%0.04815%0.149CC..Hα-helixtrans-57.3-51.8174.9-56.1-171.6-58.1-77.40111.7V8 V9 G10 D11 V14 C18 L19 L20 T58 C81V8-K16 HydrophobicContact CG1-CB 3.86Å; V8-K16 HydrophobicContact CG1-CD 4.04Å; V8-K16 HydrophobicContact CG1-CG 3.95Å; V9-K16 VanDerWaalsContact C-CD 3.41Å; G10-K16 PolarHBondContact O-NZ 3.04Å; D11-K16 PolarHBondContact O-NZ 3.38Å; V14-K16 HydrophobicContact CG2-CD 4.34Å; V14-K16 HydrophobicContact CG2-CG 3.69Å; K16-C18 PolarHBondContact O-N 3.25Å; K16-L19 VanDerWaalsContact O-CB 3.24Å; K16-L19 WeakPolarHBondContact O-CB 3.4Å; K16-L19 PolarHBondContact O-N 3.5Å; K16-L20 WeakPolarHBondContact O-CG 3.3Å; K16-L20 PolarHBondContact O-N 3.49Å; K16-T58 WeakPolarHBondContact CE-O 3.5Å; K16-T58 PolarHBondContact NZ-O 3.35Å; K16-C81 HydrophobicContact CG-CB 4.05Å
17T95.3Very high94.9Very high23 Ų2325.9 Ų25.914%0.14117%0.169CC..Hα-helixtrans-61.2-46.3178.1-41.50000112.1L19 L20 I21 T35 D57T17-L19 VanDerWaalsContact C-N 3.28Å; T17-L19 PolarHBondContact O-N 2.93Å; T17-L20 PolarHBondContact O-N 3.18Å; T17-I21 HydrophobicContact CG2-CD1 3.64Å; T17-I21 HydrophobicContact CG2-CG1 4.32Å; T17-I21 WeakPolarHBondContact O-CB 3.45Å; T17-I21 WeakPolarHBondContact O-CG1 3.47Å; T17-I21 PolarHBondContact O-N 3.39Å; T17-T35 WeakPolarHBondContact CG2-OG1 3.35Å; T17-T35 PolarHBondContact OG1-OG1 2.92Å; T17-D57 VanDerWaalsContact CA-OD2 3.32Å; T17-D57 WeakPolarHBondContact CA-OD2 3.49Å; T17-D57 VanDerWaalsContact CB-OD2 3.23Å; T17-D57 WeakPolarHBondContact CB-OD2 3.48Å; T17-D57 WeakPolarHBondContact CG2-OD2 3.5Å; T17-D57 PolarHBondContact OG1-OD2 2.93Å
18C95.1Very high94.4Very high21 Ų2130.2 Ų30.214%0.14219%0.188CC..Hα-helixtrans-62.1-36.8177.3-52.80000111.9G15 K16 S22 F28 P29 A159G15-C18 PolarHBondContact O-N 3.24Å; K16-C18 PolarHBondContact O-N 3.25Å; C18-S22 WeakPolarHBondContact O-CB 3.31Å; C18-S22 PolarHBondContact O-N 3.25Å; C18-F28 HydrophobicContact CB-CD2 4.41Å; C18-F28 HydrophobicContact CB-CE2 3.73Å; C18-F28 HydrophobicContact CB-CZ 4.27Å; C18-P29 HydrophobicContact CB-CG 4.19Å; C18-A159 HydrophobicContact CB-CB 4.02Å
19L96.1Very high93.8Very high1 Ų131.6 Ų31.61%0.00520%0.197CC..Hα-helixtrans-59.4-50.3174.2-174.583.9000110.8G15 K16 T17 Y23 L79 C157 L165 F169G15-L19 WeakPolarHBondContact O-CB 3.43Å; G15-L19 PolarHBondContact O-N 3.03Å; K16-L19 VanDerWaalsContact O-CB 3.24Å; K16-L19 WeakPolarHBondContact O-CB 3.4Å; K16-L19 PolarHBondContact O-N 3.5Å; T17-L19 VanDerWaalsContact C-N 3.28Å; T17-L19 PolarHBondContact O-N 2.93Å; L19-Y23 WeakPolarHBondContact O-CB 3.47Å; L19-Y23 PolarHBondContact O-N 3.24Å; L19-Y23 VanDerWaalsContact O-N 3.11Å; L19-L79 HydrophobicContact CD2-CD1 4.11Å; L19-C157 WeakPolarHBondContact CD1-SG 3.43Å; L19-L165 HydrophobicContact CD1-CD1 3.24Å; L19-L165 HydrophobicContact CG-CD1 3.82Å; L19-F169 HydrophobicContact CD2-CZ 4.01Å; L19-F169 HydrophobicContact CG-CE2 4.17Å; L19-F169 HydrophobicContact CG-CZ 3.97Å
20L95.1Very high92.5Very high0 Ų035.6 Ų35.60%024%0.238CC..Hα-helixtrans-67.8-47.5-177.6-64.7179.3000112.2V8 K16 T17 Y23 T24 Y40 L55 D57 F169V8-L20 HydrophobicContact CB-CD1 4.43Å; V8-L20 HydrophobicContact CG2-CD1 4.06Å; V8-L20 HydrophobicContact CG2-CD2 3.64Å; V8-L20 HydrophobicContact CG2-CG 4.17Å; K16-L20 WeakPolarHBondContact O-CG 3.3Å; K16-L20 PolarHBondContact O-N 3.49Å; T17-L20 PolarHBondContact O-N 3.18Å; L20-Y23 PolarHBondContact O-N 3.15Å; L20-T24 WeakPolarHBondContact O-CG2 3.39Å; L20-T24 PolarHBondContact O-N 3.39Å; L20-T24 PolarHBondContact O-OG1 2.97Å; L20-Y40 HydrophobicContact CB-CD2 4.2Å; L20-Y40 HydrophobicContact CB-CE2 4.32Å; L20-Y40 HydrophobicContact CD1-CD2 4.35Å; L20-Y40 HydrophobicContact CD1-CE2 4.46Å; L20-L55 HydrophobicContact CD2-CB 3.92Å; L20-L55 HydrophobicContact CD2-CD1 4.12Å; L20-L55 HydrophobicContact CD2-CD2 3.86Å; L20-L55 HydrophobicContact CD2-CG 4.18Å; L20-D57 HydrophobicContact CD1-CB 3.42Å; L20-D57 VanDerWaalsContact CD1-CB 3.42Å; L20-F169 HydrophobicContact CD2-CE1 3.91Å; L20-F169 HydrophobicContact CD2-CZ 3.87Å
21I92.8Very high91.4Very high36 Ų3643.5 Ų43.519%0.18528%0.275CS..Hα-helixtrans-61.3-51.5177.7-67.5171.4000110T17 Y23 T24 T25 P29 Y40T17-I21 HydrophobicContact CG2-CD1 3.64Å; T17-I21 HydrophobicContact CG2-CG1 4.32Å; T17-I21 WeakPolarHBondContact O-CB 3.45Å; T17-I21 WeakPolarHBondContact O-CG1 3.47Å; T17-I21 PolarHBondContact O-N 3.39Å; I21-Y23 PolarHBondContact O-N 2.99Å; I21-T24 PolarHBondContact O-N 3.13Å; I21-T24 PolarHBondContact O-OG1 3.46Å; I21-T24 VanDerWaalsContact O-OG1 3.08Å; I21-T25 HydrophobicContact CG2-CG2 4.19Å; I21-T25 PolarHBondContact O-N 2.8Å; I21-T25 PolarHBondContact O-OG1 3.45Å; I21-P29 HydrophobicContact CB-CG 4.47Å; I21-P29 HydrophobicContact CD1-CB 4.27Å; I21-P29 HydrophobicContact CD1-CG 4.33Å; I21-P29 HydrophobicContact CG2-CB 4.22Å; I21-P29 HydrophobicContact CG2-CG 4.32Å; I21-Y40 HydrophobicContact CG1-CE1 4.3Å
22S94.3Very high90Very high0 Ų048.8 Ų48.80%029%0.294CS..Hα-helixtrans-58.8-36.2-178.4-172.50000112.2C18 N26 A27 A159 L165C18-S22 WeakPolarHBondContact O-CB 3.31Å; C18-S22 PolarHBondContact O-N 3.25Å; S22-N26 WeakPolarHBondContact O-CA 3.38Å; S22-N26 PolarHBondContact O-N 3.44Å; S22-A27 VanDerWaalsContact CA-O 3.31Å; S22-A27 WeakPolarHBondContact CA-O 3.31Å; S22-A159 PolarHBondContact OG-O 2.96Å; S22-L165 WeakPolarHBondContact OG-CD2 3.21Å
23Y94.6Very high89Confident27 Ų2753.2 Ų53.211%0.10631%0.309CS..Hα-helixtrans-70.1-39.5177.1174.8-108.3000113L19 L20 I21 A42 V44 L53 L55 L165 F169L19-Y23 WeakPolarHBondContact O-CB 3.47Å; L19-Y23 PolarHBondContact O-N 3.24Å; L19-Y23 VanDerWaalsContact O-N 3.11Å; L20-Y23 PolarHBondContact O-N 3.15Å; I21-Y23 PolarHBondContact O-N 2.99Å; Y23-A42 HydrophobicContact CE1-CB 3.96Å; Y23-V44 WeakPolarHBondContact OH-CG1 3.43Å; Y23-L53 HydrophobicContact CE1-CD2 4.05Å; Y23-L55 HydrophobicContact CD1-CD1 3.92Å; Y23-L55 HydrophobicContact CE1-CD1 4.25Å; Y23-L165 HydrophobicContact CD2-CG 4.45Å; Y23-F169 VanDerWaalsContact CB-CE2 3.43Å; Y23-F169 HydrophobicContact CD1-CD1 4.29Å; Y23-F169 AromaticContact CD1-CD2 3.79Å; Y23-F169 HydrophobicContact CD1-CD2 3.79Å; Y23-F169 HydrophobicContact CD1-CE1 4.35Å; Y23-F169 AromaticContact CD1-CE2 3.88Å; Y23-F169 HydrophobicContact CD1-CE2 3.88Å; Y23-F169 HydrophobicContact CD1-CG 4Å; Y23-F169 HydrophobicContact CD1-CZ 4.14Å; Y23-F169 HydrophobicContact CD2-CB 4.35Å; Y23-F169 AromaticContact CD2-CD2 3.24Å; Y23-F169 HydrophobicContact CD2-CD2 3.24Å; Y23-F169 AromaticContact CD2-CE2 3.71Å; Y23-F169 HydrophobicContact CD2-CE2 3.71Å; Y23-F169 AromaticContact CD2-CG 3.96Å; Y23-F169 HydrophobicContact CD2-CG 3.96Å; Y23-F169 HydrophobicContact CE1-CB 4.14Å; Y23-F169 HydrophobicContact CE1-CD1 4.22Å; Y23-F169 HydrophobicContact CE1-CD2 4.06Å; Y23-F169 AromaticContact CE1-CG 3.86Å; Y23-F169 HydrophobicContact CE1-CG 3.86Å; Y23-F169 HydrophobicContact CE2-CB 3.71Å; Y23-F169 AromaticContact CE2-CD2 3.53Å; Y23-F169 HydrophobicContact CE2-CD2 3.53Å; Y23-F169 HydrophobicContact CE2-CE2 4.4Å; Y23-F169 AromaticContact CE2-CG 3.81Å; Y23-F169 HydrophobicContact CE2-CG 3.81Å; Y23-F169 AromaticContact CG-CD2 3.36Å; Y23-F169 HydrophobicContact CG-CD2 3.36Å; Y23-F169 AromaticContact CG-CE2 3.38Å; Y23-F169 HydrophobicContact CG-CE2 3.38Å; Y23-F169 HydrophobicContact CG-CG 4.03Å; Y23-F169 HydrophobicContact CG-CZ 4.05Å; Y23-F169 AromaticContact CZ-CD2 3.91Å; Y23-F169 AromaticContact CZ-CG 3.74Å
24T91.9Very high88.1Confident42 Ų4253.9 Ų53.926%0.25831%0.309SS..Hα-helixtrans-81.7-28.7-176.455.40000113.3L20 I21 L55L20-T24 WeakPolarHBondContact O-CG2 3.39Å; L20-T24 PolarHBondContact O-N 3.39Å; L20-T24 PolarHBondContact O-OG1 2.97Å; I21-T24 PolarHBondContact O-N 3.13Å; I21-T24 PolarHBondContact O-OG1 3.46Å; I21-T24 VanDerWaalsContact O-OG1 3.08Å; T24-L55 HydrophobicContact CG2-CD1 3.54Å
25T90Very high87.2Confident77 Ų7754.3 Ų54.347%0.47231%0.311SS..Hα-helixtrans-109.4-8.9-175.268.40000114I21 A27I21-T25 HydrophobicContact CG2-CG2 4.19Å; I21-T25 PolarHBondContact O-N 2.8Å; I21-T25 PolarHBondContact O-OG1 3.45Å; T25-A27 PolarHBondContact O-N 2.94Å; T25-A27 PolarHBondContact OG1-N 3.46Å; T25-A27 PolarHBondContact OG1-O 3.11Å; T25-A27 VanDerWaalsContact OG1-O 3.12Å
26N89.2Confident86.1Confident121 Ų12157.5 Ų57.565%0.64733%0.327SS*.SBendtrans54.527.2-167.9-59.6-58.7000113.2S22 Q162S22-N26 WeakPolarHBondContact O-CA 3.38Å; S22-N26 PolarHBondContact O-N 3.44Å; N26-Q162 VanDerWaalsContact C-NE2 3.3Å; N26-Q162 PolarHBondContact O-NE2 3.47Å
27A87.4Confident84.4Confident50 Ų5060.6 Ų60.641%0.41334%0.341SS..SBendtrans-142.6140.2-179.800000111.7S22 T25S22-A27 VanDerWaalsContact CA-O 3.31Å; S22-A27 WeakPolarHBondContact CA-O 3.31Å; T25-A27 PolarHBondContact O-N 2.94Å; T25-A27 PolarHBondContact OG1-N 3.46Å; T25-A27 PolarHBondContact OG1-O 3.11Å; T25-A27 VanDerWaalsContact OG1-O 3.12Å
28F87.7Confident83.6Confident91 Ų9163.1 Ų63.140%0.39935%0.354SS..  trans-76.4134.2174.4-169.6-98.7000110.4C18 A159 L160C18-F28 HydrophobicContact CB-CD2 4.41Å; C18-F28 HydrophobicContact CB-CE2 3.73Å; C18-F28 HydrophobicContact CB-CZ 4.27Å; F28-A159 HydrophobicContact CD2-CB 4.05Å; F28-A159 WeakPolarHBondContact CD2-O 3.22Å; F28-A159 HydrophobicContact CE2-CB 3.96Å; F28-L160 HydrophobicContact CB-CD1 4.26Å; F28-L160 HydrophobicContact CD1-CD1 3.87Å; F28-L160 VanDerWaalsContact CD2-CA 3.44Å; F28-L160 HydrophobicContact CD2-CB 4.07Å; F28-L160 HydrophobicContact CD2-CD1 4.29Å; F28-L160 HydrophobicContact CE1-CD1 4.26Å; F28-L160 HydrophobicContact CE2-CB 4.11Å; F28-L160 HydrophobicContact CG-CB 4.5Å; F28-L160 HydrophobicContact CG-CD1 3.87Å
29P84.5Confident83.1Confident29 Ų2966.4 Ų66.419%0.18837%0.37CS..  trans-67.9134179.927-33.7000111.5C18 I21C18-P29 HydrophobicContact CB-CG 4.19Å; I21-P29 HydrophobicContact CB-CG 4.47Å; I21-P29 HydrophobicContact CD1-CB 4.27Å; I21-P29 HydrophobicContact CD1-CG 4.33Å; I21-P29 HydrophobicContact CG2-CB 4.22Å; I21-P29 HydrophobicContact CG2-CG 4.32Å
30G72Confident82.7Confident85 Ų8569.2 Ų69.288%0.87638%0.381SS*.SBendtrans-77.9-32.2-177.700000114.7
31E76Confident82.5Confident166 Ų16673.2 Ų73.278%0.77641%0.408SS*.SBendtrans-113.9138.2177.2-69-172.9171.900111.1
32Y68.4Low82.4Confident135 Ų13572.3 Ų72.353%0.52941%0.406SS..  trans-87.1111.6174.4176.8-107000110.2P34Y32-P34 HydrophobicContact CD1-CG 4.41Å; Y32-P34 HydrophobicContact CE1-CB 4.45Å; Y32-P34 HydrophobicContact CE1-CG 3.8Å
33I73.1Confident82.4Confident125 Ų12577.6 Ų77.664%0.64144%0.435SS*.  trans-109.2119.2170.6-57.9174.8000107.3T35I33-T35 PolarHBondContact O-N 2.77Å
34P75.6Confident82.4Confident73 Ų7378 Ų7847%0.47444%0.44SS..  trans-60.3124.5176.7-22.531.7000112.1Y32Y32-P34 HydrophobicContact CD1-CG 4.41Å; Y32-P34 HydrophobicContact CE1-CB 4.45Å; Y32-P34 HydrophobicContact CE1-CG 3.8Å
35T79.2Confident82.5Confident11 Ų1181.6 Ų81.67%0.06746%0.455CS..  trans-74.2136178.7-53.80000112.3T17 I33 D57 A59T17-T35 WeakPolarHBondContact CG2-OG1 3.35Å; T17-T35 PolarHBondContact OG1-OG1 2.92Å; I33-T35 PolarHBondContact O-N 2.77Å; T35-D57 HydrophobicContact CG2-CB 4.06Å; T35-D57 WeakPolarHBondContact CG2-OD2 2.98Å; T35-D57 PolarHBondContact OG1-OD2 2.97Å; T35-A59 WeakPolarHBondContact O-CB 3.42Å
36V72Confident82.6Confident83 Ų8378 Ų7850%0.50343%0.433SS..SBendtrans-93.2-58.9160.7178.70000109A59 Y64V36-A59 PolarHBondContact O-N 3Å; V36-Y64 HydrophobicContact CB-CE1 4.32Å; V36-Y64 HydrophobicContact CG1-CD1 4.13Å; V36-Y64 HydrophobicContact CG1-CE1 3.64Å; V36-Y64 HydrophobicContact CG2-CE1 4.11Å
37F61.5Low82.8Confident77 Ų7776.9 Ų76.934%0.33843%0.427SS..EExtended strand (participates in β ladder)trans-164135.4173.3179.6-106.2000109.5N39 W56 D57 S71F37-N39 VanDerWaalsContact CE1-ND2 3.31Å; F37-N39 WeakPolarHBondContact CE1-ND2 3.22Å; F37-N39 WeakPolarHBondContact CZ-OD1 3.39Å; F37-W56 HydrophobicContact CE2-CB 4.39Å; F37-W56 AromaticContact CE2-CD1 3.64Å; F37-W56 HydrophobicContact CE2-CG 4.37Å; F37-W56 AromaticContact CZ-CD1 3.43Å; F37-W56 VanDerWaalsContact CZ-CD1 3.43Å; F37-W56 HydrophobicContact CZ-CG 4.36Å; F37-W56 AromaticContact CZ-NE1 3.91Å; F37-D57 VanDerWaalsContact CD2-O 3.25Å; F37-D57 WeakPolarHBondContact CD2-O 3.46Å; F37-S71 WeakPolarHBondContact CD2-OG 3.23Å; F37-S71 WeakPolarHBondContact CE2-OG 3.47Å
38D79.8Confident83Confident76 Ų7677.5 Ų77.541%0.40644%0.438SS..EExtended strand (participates in β ladder)trans-144.5148.3173.6-87.6-49000110.8Y40 D57D38-Y40 HydrophobicContact CB-CE2 3.74Å; D38-D57 HydrophobicContact CB-CB 4.32Å; D38-D57 PolarHBondContact N-O 3.12Å; D38-D57 PolarHBondContact O-N 2.93Å
39N83.7Confident83.2Confident90 Ų9078 Ų7848%0.48144%0.44SS..EExtended strand (participates in β ladder)trans-117.4125.8175.7-67.7-39.6000110.2F37 L55 W56F37-N39 VanDerWaalsContact CE1-ND2 3.31Å; F37-N39 WeakPolarHBondContact CE1-ND2 3.22Å; F37-N39 WeakPolarHBondContact CZ-OD1 3.39Å; N39-L55 WeakPolarHBondContact CA-O 3.3Å; N39-W56 PolarHBondContact OD1-NE1 3.19Å
40Y88.4Confident83.7Confident60 Ų6079.6 Ų79.624%0.23545%0.451CS..EExtended strand (participates in β ladder)trans-116164.1171.5-49.5-90.7000110.1L20 I21 D38 G54 L55 D57L20-Y40 HydrophobicContact CB-CD2 4.2Å; L20-Y40 HydrophobicContact CB-CE2 4.32Å; L20-Y40 HydrophobicContact CD1-CD2 4.35Å; L20-Y40 HydrophobicContact CD1-CE2 4.46Å; I21-Y40 HydrophobicContact CG1-CE1 4.3Å; D38-Y40 HydrophobicContact CB-CE2 3.74Å; Y40-G54 WeakPolarHBondContact O-CA 3.47Å; Y40-L55 PolarHBondContact N-O 3.06Å; Y40-L55 PolarHBondContact O-N 3.31Å; Y40-D57 HydrophobicContact CE2-CB 4.3Å
41S90.3Very high84.9Confident83 Ų8375.6 Ų75.658%0.5841%0.409SS*.EExtended strand (participates in β ladder)trans-141.9149170.964.70000111.2L53S41-L53 CarbonylContact C-O 3.6Å; S41-L53 VanDerWaalsContact CA-O 3.27Å; S41-L53 WeakPolarHBondContact CA-O 3.22Å
42A90.9Very high85.9Confident17 Ų1770.4 Ų70.414%0.1439%0.387CS..EExtended strand (participates in β ladder)trans-139.1130.7175.200000110.1Y23 V44 L53Y23-A42 HydrophobicContact CE1-CB 3.96Å; A42-V44 HydrophobicContact CB-CG1 4.16Å; A42-L53 PolarHBondContact N-O 3.39Å; A42-L53 PolarHBondContact O-N 3.1Å
43N93.7Very high87.3Confident112 Ų11264 Ų6460%0.59936%0.362SS*.EExtended strand (participates in β ladder)trans-88.8117.2169.8-68.3-35.9000108.6V51 N52N43-V51 WeakPolarHBondContact CA-O 3.34Å; N43-N52 PolarHBondContact OD1-ND2 2.94Å
44V94.1Very high88.5Confident34 Ų3458.5 Ų58.521%0.20634%0.336CS..EExtended strand (participates in β ladder)trans-134.3156-174-63.20000112.5Y23 A42 V46 V51 I173Y23-V44 WeakPolarHBondContact OH-CG1 3.43Å; A42-V44 HydrophobicContact CB-CG1 4.16Å; V44-V46 HydrophobicContact CG2-CG2 4.2Å; V44-V51 HydrophobicContact CG2-CB 4.31Å; V44-V51 PolarHBondContact N-O 2.91Å; V44-V51 PolarHBondContact O-N 3.44Å; V44-I173 HydrophobicContact CG2-CD1 3.54Å
45M93.9Very high89.5Confident118 Ų11855 Ų5558%0.58131%0.313SS*.EExtended strand (participates in β ladder)trans-105.6114.9173-70.2-65.9-67.300109G48 P50M45-G48 WeakPolarHBondContact CE-O 3.46Å; M45-P50 VanDerWaalsContact SD-CA 3.53Å; M45-P50 HydrophobicContact SD-CB 3.66Å; M45-P50 HydrophobicContact SD-CG 4.45Å
46V93.9Very high90.3Very high2 Ų257.3 Ų57.31%0.01232%0.321CS..EExtended strand (participates in β ladder)trans-121.7122.6175.3-179.50000108.7V44 G48 K49 I173 R174V44-V46 HydrophobicContact CG2-CG2 4.2Å; V46-G48 PolarHBondContact O-N 3.06Å; V46-K49 PolarHBondContact N-O 2.93Å; V46-K49 VanDerWaalsContact N-O 3.09Å; V46-K49 WeakPolarHBondContact O-CB 3.29Å; V46-K49 PolarHBondContact O-N 3.44Å; V46-I173 HydrophobicContact CB-CG2 3.83Å; V46-I173 HydrophobicContact CG1-CB 4.43Å; V46-I173 HydrophobicContact CG1-CG2 3.95Å; V46-I173 HydrophobicContact CG2-CB 4.21Å; V46-I173 HydrophobicContact CG2-CD1 3.61Å; V46-I173 HydrophobicContact CG2-CG2 3.93Å; V46-R174 HydrophobicContact CG1-CG 4.06Å
47D92.4Very high91.4Very high98 Ų9853.4 Ų53.452%0.52430%0.297SS..THydrogen-bonded Turntrans5041.7-178.6-53.7-20.1000112.9K49 R174D47-K49 VanDerWaalsContact C-N 3.25Å; D47-K49 PolarHBondContact O-N 3.18Å; D47-R174 IonicContact OD1-CZ 2.78Å; D47-R174 IonicContact OD1-NE 3.08Å; D47-R174 PolarHBondContact OD1-NE 3Å; D47-R174 IonicContact OD1-NH2 2.65Å; D47-R174 PolarHBondContact OD1-NH2 3.22Å; D47-R174 WeakPolarHBondContact OD2-CD 3.39Å; D47-R174 WeakPolarHBondContact OD2-CG 3.43Å; D47-R174 IonicContact OD2-CZ 3.86Å; D47-R174 IonicContact OD2-NE 3.53Å; D47-R174 PolarHBondContact OD2-NE 2.91Å; D47-R174 IonicContact OD2-NH2 3.47Å
48G91.9Very high92.9Very high63 Ų6349.9 Ų49.965%0.64928%0.282SS*.THydrogen-bonded Turntrans76.41.9-179.400000115.3M45 V46M45-G48 WeakPolarHBondContact CE-O 3.46Å; V46-G48 PolarHBondContact O-N 3.06Å
49K92.3Very high93.5Very high101 Ų10146.4 Ų46.444%0.43926%0.263SS..EExtended strand (participates in β ladder)trans-103.2127.8-179.7-64.1175179.31770111.3V46 D47 L177V46-K49 PolarHBondContact N-O 2.93Å; V46-K49 VanDerWaalsContact N-O 3.09Å; V46-K49 WeakPolarHBondContact O-CB 3.29Å; V46-K49 PolarHBondContact O-N 3.44Å; D47-K49 VanDerWaalsContact C-N 3.25Å; D47-K49 PolarHBondContact O-N 3.18Å; K49-L177 HydrophobicContact CB-CD1 4.41Å; K49-L177 HydrophobicContact CD-CD1 4.02Å
50P95.6Very high93.7Very high63 Ų6342.4 Ų42.441%0.40924%0.244SC..EExtended strand (participates in β ladder)trans-76.2123.2174.628.8-32.6000111.3M1 Q2 M45M1-P50 HydrophobicContact CE-CB 4.39Å; M1-P50 HydrophobicContact CG-CB 4.34Å; Q2-P50 PolarHBondContact N-O 3.28Å; M45-P50 VanDerWaalsContact SD-CA 3.53Å; M45-P50 HydrophobicContact SD-CB 3.66Å; M45-P50 HydrophobicContact SD-CG 4.45Å
51V97.1Very high93.8Very high1 Ų142.2 Ų42.21%0.00625%0.245CC..EExtended strand (participates in β ladder)trans-123.3135.8-178.1175.10000109.8Q2 I4 N43 V44 L53 I173 L177Q2-V51 WeakPolarHBondContact O-CA 3.28Å; I4-V51 HydrophobicContact CB-CG1 4.17Å; I4-V51 HydrophobicContact CD1-CG1 3.75Å; I4-V51 HydrophobicContact CD1-CG2 4.41Å; I4-V51 HydrophobicContact CG1-CG1 3.95Å; N43-V51 WeakPolarHBondContact CA-O 3.34Å; V44-V51 HydrophobicContact CG2-CB 4.31Å; V44-V51 PolarHBondContact N-O 2.91Å; V44-V51 PolarHBondContact O-N 3.44Å; V51-L53 HydrophobicContact CG1-CB 4.44Å; V51-I173 HydrophobicContact CG1-CD1 4.15Å; V51-I173 HydrophobicContact CG1-CG1 4.3Å; V51-I173 HydrophobicContact CG1-CG2 4.43Å; V51-I173 HydrophobicContact CG2-CG2 3.97Å; V51-L177 HydrophobicContact CG2-CD1 4.12Å
52N96.8Very high93.6Very high57 Ų5745.2 Ų45.231%0.30525%0.25SC..EExtended strand (participates in β ladder)trans-96.5105.9162.9-177.2-35.9000107.2M1 Q2 A3 I4 N43M1-N52 HydrophobicContact CG-CB 4.13Å; M1-N52 HydrophobicContact SD-CB 3.93Å; Q2-N52 PolarHBondContact O-N 3.27Å; A3-N52 CarbonylContact C-O 3.55Å; A3-N52 WeakPolarHBondContact CA-O 3.46Å; I4-N52 PolarHBondContact N-O 3Å; N43-N52 PolarHBondContact OD1-ND2 2.94Å
53L97.1Very high93.6Very high0 Ų051.4 Ų51.40%028%0.281CS..EExtended strand (participates in β ladder)trans-93.6109.5179.5-178.266.6000108.8I4 C6 Y23 S41 A42 V51 L55 F169 I173I4-L53 HydrophobicContact CB-CD1 4.1Å; I4-L53 HydrophobicContact CG2-CD1 3.83Å; C6-L53 HydrophobicContact CB-CD1 3.78Å; Y23-L53 HydrophobicContact CE1-CD2 4.05Å; S41-L53 CarbonylContact C-O 3.6Å; S41-L53 VanDerWaalsContact CA-O 3.27Å; S41-L53 WeakPolarHBondContact CA-O 3.22Å; A42-L53 PolarHBondContact N-O 3.39Å; A42-L53 PolarHBondContact O-N 3.1Å; V51-L53 HydrophobicContact CG1-CB 4.44Å; L53-L55 HydrophobicContact CD2-CD2 3.69Å; L53-L55 HydrophobicContact CD2-CG 4.4Å; L53-L55 HydrophobicContact CG-CD2 3.82Å; L53-L55 HydrophobicContact CG-CG 4.27Å; L53-F169 HydrophobicContact CD2-CB 4.19Å; L53-F169 HydrophobicContact CD2-CD1 3.87Å; L53-F169 HydrophobicContact CD2-CG 4.37Å; L53-I173 HydrophobicContact CB-CD1 4.41Å; L53-I173 HydrophobicContact CD1-CD1 4.46Å; L53-I173 HydrophobicContact CD1-CG1 4.1Å; L53-I173 HydrophobicContact CD2-CD1 4.06Å; L53-I173 HydrophobicContact CD2-CG1 4.4Å
54G97.6Very high93.5Very high9 Ų949.3 Ų49.39%0.09327%0.265CS..EExtended strand (participates in β ladder)trans-86.3139.3166.800000110.5I4 C6 Y40 W56I4-G54 PolarHBondContact O-N 3.03Å; C6-G54 PolarHBondContact N-O 3.03Å; Y40-G54 WeakPolarHBondContact O-CA 3.47Å; G54-W56 VanDerWaalsContact O-CZ3 3.29Å; G54-W56 WeakPolarHBondContact O-CZ3 3.45Å
55L96.8Very high93.4Very high0 Ų050.1 Ų50.10%027%0.268CS..EExtended strand (participates in β ladder)trans-122.9115.7-172.3-61.6167.4000108.9C6 L20 Y23 T24 N39 Y40 L53 F169C6-L55 HydrophobicContact CB-CD2 4.13Å; C6-L55 WeakPolarHBondContact O-CA 3.45Å; L20-L55 HydrophobicContact CD2-CB 3.92Å; L20-L55 HydrophobicContact CD2-CD1 4.12Å; L20-L55 HydrophobicContact CD2-CD2 3.86Å; L20-L55 HydrophobicContact CD2-CG 4.18Å; Y23-L55 HydrophobicContact CD1-CD1 3.92Å; Y23-L55 HydrophobicContact CE1-CD1 4.25Å; T24-L55 HydrophobicContact CG2-CD1 3.54Å; N39-L55 WeakPolarHBondContact CA-O 3.3Å; Y40-L55 PolarHBondContact N-O 3.06Å; Y40-L55 PolarHBondContact O-N 3.31Å; L53-L55 HydrophobicContact CD2-CD2 3.69Å; L53-L55 HydrophobicContact CD2-CG 4.4Å; L53-L55 HydrophobicContact CG-CD2 3.82Å; L53-L55 HydrophobicContact CG-CG 4.27Å; L55-F169 HydrophobicContact CD2-CD1 3.92Å; L55-F169 HydrophobicContact CD2-CE1 3.58Å
56W96.4Very high93.3Very high60 Ų6055.6 Ų55.623%0.22728%0.282CS..EExtended strand (participates in β ladder)trans-101.6105.8179.3-79.5-114.2000108.8K5 C6 V7 V8 F37 N39 G54K5-W56 HydrophobicContact CB-CE3 4.3Å; K5-W56 HydrophobicContact CB-CH2 4.1Å; K5-W56 HydrophobicContact CB-CZ3 3.74Å; K5-W56 HydrophobicContact CD-CD2 4.09Å; K5-W56 HydrophobicContact CD-CE3 4.12Å; K5-W56 HydrophobicContact CD-CH2 3.89Å; K5-W56 HydrophobicContact CD-CZ2 3.86Å; K5-W56 HydrophobicContact CD-CZ3 3.99Å; K5-W56 HydrophobicContact CG-CD2 3.98Å; K5-W56 HydrophobicContact CG-CE3 3.56Å; K5-W56 HydrophobicContact CG-CH2 3.88Å; K5-W56 HydrophobicContact CG-CZ2 4.27Å; K5-W56 HydrophobicContact CG-CZ3 3.47Å; K5-W56 VanDerWaalsContact CG-CZ3 3.47Å; C6-W56 PolarHBondContact O-N 3.1Å; V7-W56 HydrophobicContact CB-CB 4.3Å; V7-W56 HydrophobicContact CG1-CB 4.37Å; V7-W56 HydrophobicContact CG2-CB 3.81Å; V7-W56 HydrophobicContact CG2-CG 4.19Å; V8-W56 PolarHBondContact N-O 3.45Å; F37-W56 HydrophobicContact CE2-CB 4.39Å; F37-W56 AromaticContact CE2-CD1 3.64Å; F37-W56 HydrophobicContact CE2-CG 4.37Å; F37-W56 AromaticContact CZ-CD1 3.43Å; F37-W56 VanDerWaalsContact CZ-CD1 3.43Å; F37-W56 HydrophobicContact CZ-CG 4.36Å; F37-W56 AromaticContact CZ-NE1 3.91Å; N39-W56 PolarHBondContact OD1-NE1 3.19Å; G54-W56 VanDerWaalsContact O-CZ3 3.29Å; G54-W56 WeakPolarHBondContact O-CZ3 3.45Å
57D94.8Very high93.2Very high0 Ų060.1 Ų60.10%031%0.306CS..EExtended strand (participates in β ladder)trans-80135.5171.8-16112.1000110T17 L20 T35 F37 D38 Y40T17-D57 VanDerWaalsContact CA-OD2 3.32Å; T17-D57 WeakPolarHBondContact CA-OD2 3.49Å; T17-D57 VanDerWaalsContact CB-OD2 3.23Å; T17-D57 WeakPolarHBondContact CB-OD2 3.48Å; T17-D57 WeakPolarHBondContact CG2-OD2 3.5Å; T17-D57 PolarHBondContact OG1-OD2 2.93Å; L20-D57 HydrophobicContact CD1-CB 3.42Å; L20-D57 VanDerWaalsContact CD1-CB 3.42Å; T35-D57 HydrophobicContact CG2-CB 4.06Å; T35-D57 WeakPolarHBondContact CG2-OD2 2.98Å; T35-D57 PolarHBondContact OG1-OD2 2.97Å; F37-D57 VanDerWaalsContact CD2-O 3.25Å; F37-D57 WeakPolarHBondContact CD2-O 3.46Å; D38-D57 HydrophobicContact CB-CB 4.32Å; D38-D57 PolarHBondContact N-O 3.12Å; D38-D57 PolarHBondContact O-N 2.93Å; Y40-D57 HydrophobicContact CE2-CB 4.3Å
58T94.4Very high93.4Very high3 Ų355.8 Ų55.82%0.01828%0.282CS..EExtended strand (participates in β ladder)trans-127.5144.6-178.871.50000112.4V7 V8 K16 G60 R68V7-T58 HydrophobicContact CG1-CG2 3.91Å; V8-T58 PolarHBondContact O-OG1 2.62Å; K16-T58 WeakPolarHBondContact CE-O 3.5Å; K16-T58 PolarHBondContact NZ-O 3.35Å; T58-G60 PolarHBondContact O-N 2.81Å; T58-R68 HydrophobicContact CG2-CG 4.14Å
59A91.1Very high93.6Very high3 Ų353.9 Ų53.93%0.02526%0.258CS..  trans-61.4135.4172.500000111.6T35 V36 Y64 R68T35-A59 WeakPolarHBondContact O-CB 3.42Å; V36-A59 PolarHBondContact O-N 3Å; A59-Y64 HydrophobicContact CB-CD1 4.26Å; A59-Y64 HydrophobicContact CB-CD2 3.4Å; A59-Y64 HydrophobicContact CB-CE2 4.12Å; A59-Y64 HydrophobicContact CB-CG 3.48Å; A59-Y64 VanDerWaalsContact CB-CG 3.48Å; A59-R68 PolarHBondContact O-NE 2.94Å; A59-R68 PolarHBondContact O-NH2 3.39Å
60G88.9Confident93.7Very high7 Ų755.3 Ų55.37%0.07227%0.27CS..  trans-95-6.2178.500000114.4G10 G12 T58G10-G60 WeakPolarHBondContact O-CA 3.4Å; G12-G60 PolarHBondContact N-O 3.35Å; T58-G60 PolarHBondContact O-N 2.81Å
61Q89.2Confident93.7Very high56 Ų5653 Ų5326%0.26226%0.255SS..SBendtrans-80.1149.6-179.7-54.384.6-23.800110.6D63 Y64 R68Q61-D63 VanDerWaalsContact C-N 3.26Å; Q61-D63 PolarHBondContact O-N 3.17Å; Q61-Y64 HydrophobicContact CB-CD2 4.07Å; Q61-Y64 HydrophobicContact CB-CE2 4.44Å; Q61-Y64 PolarHBondContact O-N 2.69Å; Q61-R68 PolarHBondContact O-NH2 3.05Å; Q61-R68 VanDerWaalsContact O-NH2 3.14Å
62E87.4Confident93.7Very high145 Ų14553.1 Ų53.168%0.67826%0.255SS*.G310 helixtrans-65.2-29.4-178-61.9-174.116400112.8Y64 D65E62-Y64 PolarHBondContact O-N 2.66Å; E62-D65 VanDerWaalsContact O-CB 3.31Å; E62-D65 WeakPolarHBondContact O-CB 3.32Å; E62-D65 VanDerWaalsContact O-CG 3.32Å; E62-D65 PolarHBondContact O-N 3.38Å
63D91Very high93.7Very high147 Ų14754 Ų5479%0.78627%0.265SS*.G310 helixtrans-55.3-22.9175.8-61.2-36.2000112.9Q61Q61-D63 VanDerWaalsContact C-N 3.26Å; Q61-D63 PolarHBondContact O-N 3.17Å
64Y90.8Very high93.7Very high69 Ų6962.7 Ų62.727%0.27131%0.305SS..G310 helixtrans-104.97-179.6-58.6-81000113.9V36 A59 Q61 E62 R66 L67 R68V36-Y64 HydrophobicContact CB-CE1 4.32Å; V36-Y64 HydrophobicContact CG1-CD1 4.13Å; V36-Y64 HydrophobicContact CG1-CE1 3.64Å; V36-Y64 HydrophobicContact CG2-CE1 4.11Å; A59-Y64 HydrophobicContact CB-CD1 4.26Å; A59-Y64 HydrophobicContact CB-CD2 3.4Å; A59-Y64 HydrophobicContact CB-CE2 4.12Å; A59-Y64 HydrophobicContact CB-CG 3.48Å; A59-Y64 VanDerWaalsContact CB-CG 3.48Å; Q61-Y64 HydrophobicContact CB-CD2 4.07Å; Q61-Y64 HydrophobicContact CB-CE2 4.44Å; Q61-Y64 PolarHBondContact O-N 2.69Å; E62-Y64 PolarHBondContact O-N 2.66Å; Y64-R66 PolarHBondContact O-N 2.83Å; Y64-R66 VanDerWaalsContact O-N 3.14Å; Y64-L67 HydrophobicContact CD1-CD1 4.06Å; Y64-L67 PolarHBondContact O-N 3.23Å; Y64-R68 WeakPolarHBondContact O-CB 3.41Å; Y64-R68 PolarHBondContact O-N 3.23Å
65D91.9Very high93.7Very high51 Ų5162.7 Ų62.727%0.27330%0.304SS..THydrogen-bonded Turntrans-57.4-31.5-177.2-79.8-8.6000113E62 R68 P69 K96E62-D65 VanDerWaalsContact O-CB 3.31Å; E62-D65 WeakPolarHBondContact O-CB 3.32Å; E62-D65 VanDerWaalsContact O-CG 3.32Å; E62-D65 PolarHBondContact O-N 3.38Å; D65-R68 IonicContact OD1-CZ 3.82Å; D65-R68 VanDerWaalsContact OD1-CZ 3.25Å; D65-R68 IonicContact OD1-NH1 3.03Å; D65-R68 PolarHBondContact OD1-NH1 3.39Å; D65-R68 IonicContact OD1-NH2 3.96Å; D65-R68 PolarHBondContact OD1-NH2 3.39Å; D65-P69 WeakPolarHBondContact O-CD 3.4Å; D65-K96 VanDerWaalsContact CG-NZ 3.29Å; D65-K96 WeakPolarHBondContact OD1-CE 3.37Å; D65-K96 IonicContact OD1-NZ 3.53Å; D65-K96 PolarHBondContact OD1-NZ 3Å; D65-K96 IonicContact OD2-NZ 2.69Å; D65-K96 PolarHBondContact OD2-NZ 2.57Å
66R92.5Very high93.8Very high233 Ų23365.7 Ų65.788%0.87932%0.32SS*.THydrogen-bonded Turntrans-81.4-24.2177-64.6-175.1-179.3-177.61113.9Y64Y64-R66 PolarHBondContact O-N 2.83Å; Y64-R66 VanDerWaalsContact O-N 3.14Å
67L92.3Very high93.9Very high96 Ų9662.9 Ų62.950%0.50331%0.309SS..THydrogen-bonded Turntrans-90.9-35.7-177.2-67.1175.7000111.5Y64 P69 L70Y64-L67 HydrophobicContact CD1-CD1 4.06Å; Y64-L67 PolarHBondContact O-N 3.23Å; L67-P69 VanDerWaalsContact C-CD 3.49Å; L67-L70 HydrophobicContact CD2-CD1 4.07Å; L67-L70 WeakPolarHBondContact O-CB 3.21Å; L67-L70 VanDerWaalsContact O-CG 3.31Å; L67-L70 WeakPolarHBondContact O-CG 3.18Å; L67-L70 PolarHBondContact O-N 3.21Å
68R95.2Very high94.1Very high7 Ų762.9 Ų62.93%0.02631%0.309CS..G310 helixtrans-52.4-43-178.6-170.2-174-44.8113.27.6113.9T58 A59 Q61 Y64 D65 L70 S71 Y72 W97 E100T58-R68 HydrophobicContact CG2-CG 4.14Å; A59-R68 PolarHBondContact O-NE 2.94Å; A59-R68 PolarHBondContact O-NH2 3.39Å; Q61-R68 PolarHBondContact O-NH2 3.05Å; Q61-R68 VanDerWaalsContact O-NH2 3.14Å; Y64-R68 WeakPolarHBondContact O-CB 3.41Å; Y64-R68 PolarHBondContact O-N 3.23Å; D65-R68 IonicContact OD1-CZ 3.82Å; D65-R68 VanDerWaalsContact OD1-CZ 3.25Å; D65-R68 IonicContact OD1-NH1 3.03Å; D65-R68 PolarHBondContact OD1-NH1 3.39Å; D65-R68 IonicContact OD1-NH2 3.96Å; D65-R68 PolarHBondContact OD1-NH2 3.39Å; R68-L70 PolarHBondContact O-N 3.41Å; R68-L70 VanDerWaalsContact O-N 3.11Å; R68-S71 WeakPolarHBondContact O-CB 3.37Å; R68-S71 PolarHBondContact O-N 3.34Å; R68-Y72 WeakPolarHBondContact CD-OH 3.49Å; R68-Y72 HydrophobicContact CG-CE1 4.02Å; R68-Y72 WeakPolarHBondContact CG-OH 3.44Å; R68-W97 VanDerWaalsContact CZ-CH2 3.44Å; R68-W97 VanDerWaalsContact NH1-CZ3 3.29Å; R68-E100 WeakPolarHBondContact CD-OE1 3.43Å; R68-E100 IonicContact CZ-OE1 3.28Å; R68-E100 IonicContact NH1-OE1 3.8Å; R68-E100 PolarHBondContact NH1-OE1 2.95Å; R68-E100 IonicContact NH1-OE2 2.76Å; R68-E100 PolarHBondContact NH1-OE2 3.47Å
69P95.9Very high94.3Very high24 Ų2462.7 Ų62.716%0.15631%0.308CS..G310 helixtrans-64-17.9180-25.136.8000114.6D65 L67 S71 Y72 P73D65-P69 WeakPolarHBondContact O-CD 3.4Å; L67-P69 VanDerWaalsContact C-CD 3.49Å; P69-S71 PolarHBondContact O-N 2.9Å; P69-Y72 HydrophobicContact CB-CD2 3.99Å; P69-Y72 HydrophobicContact CB-CE2 4.15Å; P69-Y72 HydrophobicContact CG-CE2 4.28Å; P69-Y72 WeakPolarHBondContact O-CB 3.24Å; P69-Y72 PolarHBondContact O-N 3.5Å; P69-Y72 VanDerWaalsContact O-N 3.08Å; P69-P73 WeakPolarHBondContact O-CD 3.48Å
70L94.8Very high94.7Very high131 Ų13162.6 Ų62.669%0.68631%0.307SS*.G310 helixtrans-64.3-21.1174.6-56.9178000112.1L67 R68 P73L67-L70 HydrophobicContact CD2-CD1 4.07Å; L67-L70 WeakPolarHBondContact O-CB 3.21Å; L67-L70 VanDerWaalsContact O-CG 3.31Å; L67-L70 WeakPolarHBondContact O-CG 3.18Å; L67-L70 PolarHBondContact O-N 3.21Å; R68-L70 PolarHBondContact O-N 3.41Å; R68-L70 VanDerWaalsContact O-N 3.11Å; L70-P73 WeakPolarHBondContact O-CD 3.25Å
71S95.5Very high95.1Very high13 Ų1362.2 Ų62.29%0.09130%0.303CS..G310 helixtrans-82.9-13.3175.7-50.70000113.3K5 F37 R68 P69K5-S71 WeakPolarHBondContact CE-O 3.49Å; K5-S71 PolarHBondContact NZ-O 3.06Å; F37-S71 WeakPolarHBondContact CD2-OG 3.23Å; F37-S71 WeakPolarHBondContact CE2-OG 3.47Å; R68-S71 WeakPolarHBondContact O-CB 3.37Å; R68-S71 PolarHBondContact O-N 3.34Å; P69-S71 PolarHBondContact O-N 2.9Å
72Y97.7Very high95.6Very high4 Ų459.6 Ų59.62%0.01629%0.291CS..  trans-79.6-28.1-171.6-62-9.6000117.1V7 V9 R68 P69 Q74 T75 F78 E100 H104V7-Y72 HydrophobicContact CG1-CD1 4.04Å; V7-Y72 HydrophobicContact CG1-CE1 3.97Å; V9-Y72 HydrophobicContact CG1-CE1 3.88Å; V9-Y72 WeakPolarHBondContact CG1-OH 3.41Å; R68-Y72 WeakPolarHBondContact CD-OH 3.49Å; R68-Y72 HydrophobicContact CG-CE1 4.02Å; R68-Y72 WeakPolarHBondContact CG-OH 3.44Å; P69-Y72 HydrophobicContact CB-CD2 3.99Å; P69-Y72 HydrophobicContact CB-CE2 4.15Å; P69-Y72 HydrophobicContact CG-CE2 4.28Å; P69-Y72 WeakPolarHBondContact O-CB 3.24Å; P69-Y72 PolarHBondContact O-N 3.5Å; P69-Y72 VanDerWaalsContact O-N 3.08Å; Y72-Q74 PolarHBondContact O-N 2.89Å; Y72-T75 VanDerWaalsContact O-CB 3.32Å; Y72-T75 WeakPolarHBondContact O-CB 3.33Å; Y72-T75 PolarHBondContact O-N 2.85Å; Y72-T75 VanDerWaalsContact O-N 3.16Å; Y72-T75 PolarHBondContact O-OG1 3.17Å; Y72-F78 AromaticContact CD1-CE1 3.6Å; Y72-F78 HydrophobicContact CD1-CE1 3.6Å; Y72-F78 AromaticContact CD1-CZ 3.9Å; Y72-F78 HydrophobicContact CD1-CZ 3.9Å; Y72-F78 AromaticContact CE1-CE1 3.76Å; Y72-F78 HydrophobicContact CE1-CE1 3.76Å; Y72-F78 HydrophobicContact CE1-CZ 4.44Å; Y72-F78 HydrophobicContact CG-CE1 4.09Å; Y72-F78 AromaticContact CG-CZ 3.95Å; Y72-F78 HydrophobicContact CG-CZ 3.95Å; Y72-E100 HydrophobicContact CE2-CG 4.28Å; Y72-E100 PolarHBondContact OH-OE1 2.78Å; Y72-H104 HydrophobicContact CD2-CB 3.66Å; Y72-H104 AromaticContact CD2-CD2 3.9Å; Y72-H104 AromaticContact CD2-CG 3.86Å; Y72-H104 HydrophobicContact CE2-CB 4.38Å; Y72-H104 AromaticContact CE2-CD2 3.92Å
73P97.2Very high96.1Very high77 Ų7752.9 Ų52.950%0.526%0.26SS..THydrogen-bonded Turntrans-52.8136.6-180-29.336.4000112.4K5 P69 L70 T75K5-P73 PolarHBondContact NZ-O 3.37Å; P69-P73 WeakPolarHBondContact O-CD 3.48Å; L70-P73 WeakPolarHBondContact O-CD 3.25Å; P73-T75 PolarHBondContact O-N 3.25Å
74Q95.9Very high96.5Very high181 Ų18145.9 Ų45.985%0.84622%0.222SC*.THydrogen-bonded Turntrans59.628.5179-52.7174.8-57.800114.3Y72Y72-Q74 PolarHBondContact O-N 2.89Å
75T98.3Very high96.9Very high10 Ų1043.6 Ų43.66%0.06122%0.216CC..  trans-74.8127.3173.9-59.20000111.1V7 Y72 P73 V77 F78 T108V7-T75 HydrophobicContact CB-CG2 3.95Å; V7-T75 HydrophobicContact CG2-CG2 3.63Å; V7-T75 WeakPolarHBondContact CG2-OG1 3.33Å; Y72-T75 VanDerWaalsContact O-CB 3.32Å; Y72-T75 WeakPolarHBondContact O-CB 3.33Å; Y72-T75 PolarHBondContact O-N 2.85Å; Y72-T75 VanDerWaalsContact O-N 3.16Å; Y72-T75 PolarHBondContact O-OG1 3.17Å; P73-T75 PolarHBondContact O-N 3.25Å; T75-V77 WeakPolarHBondContact CG2-O 3.41Å; T75-F78 HydrophobicContact CG2-CD1 4.37Å; T75-F78 HydrophobicContact CG2-CD2 3.71Å; T75-F78 HydrophobicContact CG2-CE1 4.15Å; T75-F78 HydrophobicContact CG2-CE2 3.44Å; T75-F78 VanDerWaalsContact CG2-CE2 3.44Å; T75-F78 HydrophobicContact CG2-CG 4.17Å; T75-F78 HydrophobicContact CG2-CZ 3.68Å; T75-T108 HydrophobicContact CG2-CG2 4.19Å; T75-T108 WeakPolarHBondContact O-CG2 3.16Å; T75-T108 PolarHBondContact O-OG1 3.49Å
76D98.3Very high97.2Very high63 Ų6343.2 Ų43.234%0.33722%0.217SC..SBendtrans-85.4-33178.3-62.7-59.6000112I4 K5 T108 P109 V176I4-D76 WeakPolarHBondContact CA-OD2 3.48Å; I4-D76 HydrophobicContact CG2-CB 3.97Å; K5-D76 PolarHBondContact N-OD2 3.44Å; K5-D76 WeakPolarHBondContact O-CB 3.49Å; K5-D76 PolarHBondContact O-N 3.19Å; D76-T108 WeakPolarHBondContact O-CG2 3.46Å; D76-P109 WeakPolarHBondContact O-CD 3.1Å; D76-P109 WeakPolarHBondContact O-CG 3.47Å; D76-V176 HydrophobicContact CB-CG1 4.08Å; D76-V176 HydrophobicContact CB-CG2 3.89Å; D76-V176 WeakPolarHBondContact O-CG2 3.36Å
77V98.6Very high97.5Very high0 Ų033.2 Ų33.20%018%0.182CC..EExtended strand (participates in β ladder)trans-152.2144.4177.862.10000111.9I4 K5 C6 V7 T75 P109 I111 A172 V176I4-V77 HydrophobicContact CG2-CG1 4.29Å; K5-V77 PolarHBondContact O-N 3.31Å; C6-V77 WeakPolarHBondContact CA-O 3.49Å; C6-V77 HydrophobicContact CB-CG1 3.82Å; V7-V77 PolarHBondContact N-O 3.32Å; T75-V77 WeakPolarHBondContact CG2-O 3.41Å; V77-P109 HydrophobicContact CB-CG 4.2Å; V77-P109 HydrophobicContact CG2-CB 4.49Å; V77-P109 HydrophobicContact CG2-CG 4.23Å; V77-I111 HydrophobicContact CG2-CG1 4.32Å; V77-A172 HydrophobicContact CG1-CB 4.13Å; V77-A172 HydrophobicContact CG2-CB 4.14Å; V77-V176 HydrophobicContact CB-CG2 3.8Å; V77-V176 HydrophobicContact CG1-CG2 4.08Å
78F98.8Very high97.7Very high0 Ų031.6 Ų31.60%018%0.183CC..EExtended strand (participates in β ladder)trans-107.1140.4171.5-75.6-90.2000111.7V7 V9 Y72 T75 V101 C105 T108 P109 I110 I111V7-F78 HydrophobicContact CB-CD1 3.8Å; V7-F78 HydrophobicContact CB-CE1 3.69Å; V7-F78 HydrophobicContact CB-CZ 4.48Å; V7-F78 HydrophobicContact CG1-CD1 4.04Å; V7-F78 HydrophobicContact CG1-CE1 3.76Å; V7-F78 HydrophobicContact CG2-CE1 4.36Å; V7-F78 WeakPolarHBondContact O-CA 3.49Å; V9-F78 HydrophobicContact CG1-CD1 4.4Å; Y72-F78 AromaticContact CD1-CE1 3.6Å; Y72-F78 HydrophobicContact CD1-CE1 3.6Å; Y72-F78 AromaticContact CD1-CZ 3.9Å; Y72-F78 HydrophobicContact CD1-CZ 3.9Å; Y72-F78 AromaticContact CE1-CE1 3.76Å; Y72-F78 HydrophobicContact CE1-CE1 3.76Å; Y72-F78 HydrophobicContact CE1-CZ 4.44Å; Y72-F78 HydrophobicContact CG-CE1 4.09Å; Y72-F78 AromaticContact CG-CZ 3.95Å; Y72-F78 HydrophobicContact CG-CZ 3.95Å; T75-F78 HydrophobicContact CG2-CD1 4.37Å; T75-F78 HydrophobicContact CG2-CD2 3.71Å; T75-F78 HydrophobicContact CG2-CE1 4.15Å; T75-F78 HydrophobicContact CG2-CE2 3.44Å; T75-F78 VanDerWaalsContact CG2-CE2 3.44Å; T75-F78 HydrophobicContact CG2-CG 4.17Å; T75-F78 HydrophobicContact CG2-CZ 3.68Å; F78-V101 HydrophobicContact CB-CG1 4.28Å; F78-V101 HydrophobicContact CD1-CG1 4.16Å; F78-V101 HydrophobicContact CD1-CG2 3.93Å; F78-V101 HydrophobicContact CD2-CG1 3.65Å; F78-V101 HydrophobicContact CE1-CG1 4.42Å; F78-V101 HydrophobicContact CE1-CG2 4.2Å; F78-V101 HydrophobicContact CE2-CG1 3.96Å; F78-V101 HydrophobicContact CG-CG1 3.77Å; F78-V101 HydrophobicContact CG-CG2 4.28Å; F78-V101 HydrophobicContact CZ-CG1 4.33Å; F78-C105 HydrophobicContact CE2-CB 3.58Å; F78-C105 HydrophobicContact CZ-CB 4.1Å; F78-T108 HydrophobicContact CD2-CG2 3.52Å; F78-T108 HydrophobicContact CE2-CG2 3.74Å; F78-P109 PolarHBondContact N-O 2.92Å; F78-I110 HydrophobicContact CB-CG1 4.27Å; F78-I110 CarbonylContact O-C 3.53Å; F78-I110 WeakPolarHBondContact O-CA 3.27Å; F78-I111 PolarHBondContact O-N 2.82Å
79L98.9Very high97.9Very high0 Ų031.3 Ų31.30%018%0.182CC..EExtended strand (participates in β ladder)trans-100.7119.5158.5-54.9-173.7000108.2V7 V8 V9 L19 I111 V113 V168 F169 A172V7-L79 PolarHBondContact O-N 2.73Å; V8-L79 HydrophobicContact CB-CB 4.47Å; V8-L79 HydrophobicContact CG1-CB 4.13Å; V8-L79 HydrophobicContact CG2-CB 4.2Å; V8-L79 HydrophobicContact CG2-CD1 3.95Å; V8-L79 HydrophobicContact CG2-CG 4.28Å; V9-L79 PolarHBondContact N-O 3.01Å; L19-L79 HydrophobicContact CD2-CD1 4.11Å; L79-I111 WeakPolarHBondContact CA-O 3.45Å; L79-I111 HydrophobicContact CD2-CB 3.66Å; L79-I111 HydrophobicContact CD2-CG1 4.08Å; L79-I111 HydrophobicContact CD2-CG2 4.24Å; L79-V113 HydrophobicContact CB-CG2 4.27Å; L79-V113 HydrophobicContact CD2-CG2 4.19Å; L79-V168 HydrophobicContact CD1-CG1 3.83Å; L79-V168 HydrophobicContact CD2-CG1 4.18Å; L79-F169 HydrophobicContact CD1-CD1 4.41Å; L79-F169 HydrophobicContact CD1-CE1 3.88Å; L79-F169 HydrophobicContact CD1-CZ 4.39Å; L79-A172 HydrophobicContact CD2-CB 3.97Å
80I98.8Very high98.1Very high0 Ų030.7 Ų30.70%018%0.177CC..EExtended strand (participates in β ladder)trans-97.1113.4166.3-60.6-177.1000107.4V9 V93 W97 V101 I110 I111 L112 V113V9-I80 HydrophobicContact CG2-CB 4.39Å; V9-I80 HydrophobicContact CG2-CG1 3.76Å; I80-V93 HydrophobicContact CG2-CG1 4.11Å; I80-V93 HydrophobicContact CG2-CG2 4.17Å; I80-W97 HydrophobicContact CD1-CB 4.36Å; I80-W97 HydrophobicContact CG2-CB 3.74Å; I80-W97 HydrophobicContact CG2-CG 4.37Å; I80-V101 HydrophobicContact CD1-CG2 4.23Å; I80-V101 HydrophobicContact CG1-CG2 4.44Å; I80-I110 HydrophobicContact CB-CG2 4.37Å; I80-I110 HydrophobicContact CD1-CD1 4Å; I80-I110 HydrophobicContact CD1-CG2 3.78Å; I80-I110 HydrophobicContact CG1-CG2 3.83Å; I80-I111 PolarHBondContact N-O 2.69Å; I80-L112 HydrophobicContact CB-CD1 4.38Å; I80-L112 HydrophobicContact CG2-CD1 4.29Å; I80-V113 PolarHBondContact O-N 2.93Å
81C98.9Very high98.2Very high0 Ų028.1 Ų28.10%016%0.161CC..EExtended strand (participates in β ladder)trans-103138-175.4-66.10000111.5V8 V9 G10 V14 K16 V113 T115V8-C81 VanDerWaalsContact CG1-SG 3.55Å; V9-C81 PolarHBondContact O-N 3.02Å; G10-C81 WeakPolarHBondContact CA-O 3.14Å; V14-C81 HydrophobicContact CG2-CB 4.09Å; K16-C81 HydrophobicContact CG-CB 4.05Å; C81-V113 WeakPolarHBondContact CA-O 3.06Å; C81-T115 HydrophobicContact CB-CG2 4.17Å
82F98.9Very high98.4Very high0 Ų030.1 Ų30.10%017%0.171CC..EExtended strand (participates in β ladder)trans-136.2156.7166.372.5-85.6000109.5L84 S89 F90 V93 L112 V113 G114 T115 I137 Y154F82-L84 HydrophobicContact CE2-CD2 3.76Å; F82-L84 HydrophobicContact CZ-CD2 4.03Å; F82-S89 WeakPolarHBondContact CB-O 3.47Å; F82-F90 HydrophobicContact CD1-CD2 4.18Å; F82-F90 HydrophobicContact CD2-CB 3.74Å; F82-F90 AromaticContact CD2-CD2 3.71Å; F82-F90 HydrophobicContact CD2-CD2 3.71Å; F82-F90 HydrophobicContact CD2-CG 4.19Å; F82-F90 AromaticContact CE1-CD2 3.93Å; F82-F90 HydrophobicContact CE1-CD2 3.93Å; F82-F90 HydrophobicContact CE1-CE2 4.3Å; F82-F90 HydrophobicContact CE2-CB 4.13Å; F82-F90 AromaticContact CE2-CD2 3.43Å; F82-F90 HydrophobicContact CE2-CD2 3.43Å; F82-F90 VanDerWaalsContact CE2-CD2 3.43Å; F82-F90 HydrophobicContact CE2-CE2 4.21Å; F82-F90 HydrophobicContact CE2-CG 4.14Å; F82-F90 HydrophobicContact CG-CB 4.3Å; F82-F90 HydrophobicContact CG-CD2 4.07Å; F82-F90 AromaticContact CZ-CD2 3.54Å; F82-F90 HydrophobicContact CZ-CD2 3.54Å; F82-F90 AromaticContact CZ-CE2 3.92Å; F82-F90 HydrophobicContact CZ-CE2 3.92Å; F82-V93 HydrophobicContact CB-CG2 3.97Å; F82-V93 HydrophobicContact CD1-CG2 4.07Å; F82-V93 HydrophobicContact CG-CG2 4.28Å; F82-L112 HydrophobicContact CD1-CD1 3.9Å; F82-L112 HydrophobicContact CD1-CG 4.36Å; F82-L112 HydrophobicContact CE1-CD1 4Å; F82-L112 HydrophobicContact CE1-CD2 4.21Å; F82-L112 HydrophobicContact CE1-CG 3.96Å; F82-V113 WeakPolarHBondContact CD1-O 3.32Å; F82-V113 PolarHBondContact N-O 2.76Å; F82-G114 CarbonylContact O-C 3.43Å; F82-G114 WeakPolarHBondContact O-CA 3.1Å; F82-T115 PolarHBondContact O-N 2.84Å; F82-T115 PolarHBondContact O-OG1 2.92Å; F82-I137 HydrophobicContact CE2-CB 4.02Å; F82-I137 HydrophobicContact CE2-CG1 4.08Å; F82-I137 HydrophobicContact CE2-CG2 3.81Å; F82-I137 HydrophobicContact CZ-CG2 4.19Å; F82-Y154 AromaticContact CE1-CE2 3.81Å; F82-Y154 HydrophobicContact CE1-CE2 3.81Å; F82-Y154 AromaticContact CZ-CE2 3.89Å; F82-Y154 HydrophobicContact CZ-CE2 3.89Å
83S98.8Very high98.4Very high4 Ų430 Ų303%0.02817%0.17CC..EExtended strand (participates in β ladder)trans-89.1129.8177.7169.30000110.6V85 S86 S89 T115S83-V85 PolarHBondContact O-N 3.22Å; S83-V85 WeakPolarHBondContact OG-CG2 3.42Å; S83-V85 PolarHBondContact OG-N 2.95Å; S83-S86 PolarHBondContact O-N 2.99Å; S83-S89 PolarHBondContact N-OG 3.39Å; S83-T115 WeakPolarHBondContact CA-OG1 3.45Å
84L98.8Very high98.5Very high0 Ų031.8 Ų31.80%017%0.167CC..THydrogen-bonded Turntrans-59.7-20.5177.8-69.4173.6000113F82 T115 L117 P136 I137 E156F82-L84 HydrophobicContact CE2-CD2 3.76Å; F82-L84 HydrophobicContact CZ-CD2 4.03Å; L84-T115 WeakPolarHBondContact CB-O 3.43Å; L84-T115 VanDerWaalsContact CG-O 3.32Å; L84-T115 WeakPolarHBondContact CG-O 3.22Å; L84-T115 PolarHBondContact N-O 3.31Å; L84-L117 HydrophobicContact CD1-CB 3.91Å; L84-L117 HydrophobicContact CD1-CD1 3.68Å; L84-L117 HydrophobicContact CD1-CG 4.42Å; L84-P136 CarbonylContact O-C 3.58Å; L84-P136 VanDerWaalsContact O-CA 3.3Å; L84-P136 WeakPolarHBondContact O-CA 3.5Å; L84-I137 HydrophobicContact CD2-CB 4.16Å; L84-I137 HydrophobicContact CD2-CG2 4.43Å; L84-I137 PolarHBondContact O-N 2.58Å; L84-E156 HydrophobicContact CD1-CB 4.26Å; L84-E156 HydrophobicContact CD1-CG 4.15Å; L84-E156 HydrophobicContact CD2-CG 4.32Å
85V98.4Very high98.6Very high22 Ų2226.7 Ų26.713%0.13316%0.156CC..THydrogen-bonded Turntrans-108.117.8178.1-60.20000113.1S83 K116 L119 T125 L129 P136S83-V85 PolarHBondContact O-N 3.22Å; S83-V85 WeakPolarHBondContact OG-CG2 3.42Å; S83-V85 PolarHBondContact OG-N 2.95Å; V85-K116 HydrophobicContact CG2-CD 4.48Å; V85-L119 HydrophobicContact CB-CB 4.48Å; V85-L119 HydrophobicContact CG1-CB 3.72Å; V85-L119 WeakPolarHBondContact CG1-O 3.32Å; V85-L119 HydrophobicContact CG2-CB 4.04Å; V85-L119 HydrophobicContact CG2-CD1 3.92Å; V85-T125 HydrophobicContact CB-CG2 3.67Å; V85-T125 HydrophobicContact CG1-CG2 3.61Å; V85-T125 HydrophobicContact CG2-CG2 4.13Å; V85-L129 HydrophobicContact CB-CD1 4.14Å; V85-L129 HydrophobicContact CG1-CD1 4.44Å; V85-P136 HydrophobicContact CG1-CB 4.43Å
86S98.4Very high98.6Very high42 Ų4228 Ų2829%0.29416%0.161SC..  trans-131.890.4171.4179.30000110.3S83 A88 S89 F90S83-S86 PolarHBondContact O-N 2.99Å; S86-A88 PolarHBondContact O-N 3.07Å; S86-S89 WeakPolarHBondContact CB-OG 3.37Å; S86-S89 PolarHBondContact O-N 2.9Å; S86-S89 PolarHBondContact O-OG 2.98Å; S86-F90 PolarHBondContact O-N 3.08Å
87P98.3Very high98.6Very high23 Ų2325 Ų2515%0.14915%0.145CC..Hα-helixtrans-56.5-32.7178.4-2937.6000114.2S89 F90 E91 L134 S135 I137P87-S89 VanDerWaalsContact C-N 3.34Å; P87-S89 PolarHBondContact O-N 3.44Å; P87-F90 WeakPolarHBondContact O-CB 3.4Å; P87-F90 PolarHBondContact O-N 2.8Å; P87-E91 PolarHBondContact O-N 3.11Å; P87-L134 HydrophobicContact CG-CB 4.27Å; P87-L134 HydrophobicContact CG-CD1 4.28Å; P87-L134 HydrophobicContact CG-CD2 4.4Å; P87-S135 WeakPolarHBondContact CG-O 3.33Å; P87-I137 HydrophobicContact CB-CD1 4.18Å; P87-I137 HydrophobicContact CG-CD1 4.33Å
88A98.3Very high98.6Very high62 Ų6228.4 Ų28.451%0.51216%0.158SC..Hα-helixtrans-59.9-43.8174.100000112S86 F90 E91 N92S86-A88 PolarHBondContact O-N 3.07Å; A88-F90 PolarHBondContact O-N 2.7Å; A88-E91 PolarHBondContact O-N 2.8Å; A88-N92 PolarHBondContact O-N 2.99Å; A88-N92 PolarHBondContact O-ND2 3.19Å
89S98.8Very high98.6Very high1 Ų131.1 Ų31.11%0.00718%0.176CC..Hα-helixtrans-65.7-28.2177.872.40000113.4D11 F82 S83 S86 P87D11-S89 VanDerWaalsContact OD2-CA 3.24Å; D11-S89 WeakPolarHBondContact OD2-CA 3.43Å; D11-S89 WeakPolarHBondContact OD2-CB 3.49Å; F82-S89 WeakPolarHBondContact CB-O 3.47Å; S83-S89 PolarHBondContact N-OG 3.39Å; S86-S89 WeakPolarHBondContact CB-OG 3.37Å; S86-S89 PolarHBondContact O-N 2.9Å; S86-S89 PolarHBondContact O-OG 2.98Å; P87-S89 VanDerWaalsContact C-N 3.34Å; P87-S89 PolarHBondContact O-N 3.44Å
90F98.8Very high98.6Very high12 Ų1232.6 Ų32.65%0.05318%0.183CC..Hα-helixtrans-71-43.6174.4177-109.6000111.6F82 S86 P87 A88 N92 V93 I137 Q141 M145F82-F90 HydrophobicContact CD1-CD2 4.18Å; F82-F90 HydrophobicContact CD2-CB 3.74Å; F82-F90 AromaticContact CD2-CD2 3.71Å; F82-F90 HydrophobicContact CD2-CD2 3.71Å; F82-F90 HydrophobicContact CD2-CG 4.19Å; F82-F90 AromaticContact CE1-CD2 3.93Å; F82-F90 HydrophobicContact CE1-CD2 3.93Å; F82-F90 HydrophobicContact CE1-CE2 4.3Å; F82-F90 HydrophobicContact CE2-CB 4.13Å; F82-F90 AromaticContact CE2-CD2 3.43Å; F82-F90 HydrophobicContact CE2-CD2 3.43Å; F82-F90 VanDerWaalsContact CE2-CD2 3.43Å; F82-F90 HydrophobicContact CE2-CE2 4.21Å; F82-F90 HydrophobicContact CE2-CG 4.14Å; F82-F90 HydrophobicContact CG-CB 4.3Å; F82-F90 HydrophobicContact CG-CD2 4.07Å; F82-F90 AromaticContact CZ-CD2 3.54Å; F82-F90 HydrophobicContact CZ-CD2 3.54Å; F82-F90 AromaticContact CZ-CE2 3.92Å; F82-F90 HydrophobicContact CZ-CE2 3.92Å; S86-F90 PolarHBondContact O-N 3.08Å; P87-F90 WeakPolarHBondContact O-CB 3.4Å; P87-F90 PolarHBondContact O-N 2.8Å; A88-F90 PolarHBondContact O-N 2.7Å; F90-N92 VanDerWaalsContact C-N 3.31Å; F90-N92 PolarHBondContact O-N 3.19Å; F90-V93 VanDerWaalsContact O-CB 3.23Å; F90-V93 WeakPolarHBondContact O-CB 3.4Å; F90-V93 WeakPolarHBondContact O-CG2 3.36Å; F90-V93 PolarHBondContact O-N 3.26Å; F90-I137 HydrophobicContact CB-CD1 3.93Å; F90-I137 HydrophobicContact CB-CG1 3.88Å; F90-I137 HydrophobicContact CD1-CD1 3.72Å; F90-I137 HydrophobicContact CD1-CG1 4.35Å; F90-I137 HydrophobicContact CD2-CG1 4.46Å; F90-I137 HydrophobicContact CD2-CG2 4.06Å; F90-I137 HydrophobicContact CE1-CD1 4.39Å; F90-I137 HydrophobicContact CE2-CG2 4.08Å; F90-I137 HydrophobicContact CG-CD1 3.86Å; F90-I137 HydrophobicContact CG-CG1 3.99Å; F90-I137 HydrophobicContact CG-CG2 4.27Å; F90-I137 HydrophobicContact CZ-CG2 4.33Å; F90-Q141 HydrophobicContact CE1-CB 4.4Å; F90-Q141 HydrophobicContact CZ-CB 4.1Å; F90-Q141 WeakPolarHBondContact CZ-O 3.33Å; F90-M145 HydrophobicContact CD1-CE 4.34Å; F90-M145 HydrophobicContact CD2-CE 4.47Å; F90-M145 HydrophobicContact CE1-CE 3.89Å; F90-M145 HydrophobicContact CE2-CB 3.54Å; F90-M145 HydrophobicContact CE2-CE 4.05Å; F90-M145 HydrophobicContact CE2-CG 3.85Å; F90-M145 HydrophobicContact CZ-CB 3.59Å; F90-M145 HydrophobicContact CZ-CE 3.75Å; F90-M145 HydrophobicContact CZ-CG 4.18Å
91E98.6Very high98.6Very high76 Ų7632.6 Ų32.636%0.35518%0.183SC..Hα-helixtrans-64.3-36.4175-66.9-57.5143.900112.3P87 A88 V93 R94 A95P87-E91 PolarHBondContact O-N 3.11Å; A88-E91 PolarHBondContact O-N 2.8Å; E91-V93 PolarHBondContact O-N 3.09Å; E91-V93 VanDerWaalsContact O-N 3.17Å; E91-R94 WeakPolarHBondContact O-CG 3.34Å; E91-R94 PolarHBondContact O-N 2.76Å; E91-R94 IonicContact OE1-NH2 4Å; E91-R94 IonicContact OE2-CZ 3.04Å; E91-R94 IonicContact OE2-NE 2.93Å; E91-R94 PolarHBondContact OE2-NE 2.87Å; E91-R94 IonicContact OE2-NH2 2.62Å; E91-R94 PolarHBondContact OE2-NH2 2.87Å; E91-A95 PolarHBondContact O-N 2.99Å
92N98.8Very high98.5Very high56 Ų5635.2 Ų35.230%0.29919%0.192SC..Hα-helixtrans-64.7-17.6176.8-73.7-20.2000113.5D11 A88 F90 K96 W97D11-N92 WeakPolarHBondContact OD1-CB 3.41Å; D11-N92 PolarHBondContact OD1-ND2 2.86Å; D11-N92 PolarHBondContact OD2-ND2 2.9Å; A88-N92 PolarHBondContact O-N 2.99Å; A88-N92 PolarHBondContact O-ND2 3.19Å; F90-N92 VanDerWaalsContact C-N 3.31Å; F90-N92 PolarHBondContact O-N 3.19Å; N92-K96 WeakPolarHBondContact O-CA 3.33Å; N92-K96 WeakPolarHBondContact O-CB 3.49Å; N92-K96 PolarHBondContact O-N 2.96Å; N92-W97 VanDerWaalsContact O-CD1 3.26Å; N92-W97 PolarHBondContact O-N 2.95Å
93V98.8Very high98.5Very high0 Ų042.2 Ų42.20%023%0.225CC..Iπ-helixtrans-55.7-54.1171.5173.60000110.3I80 F82 F90 E91 W97 Y98 L112 M145 I149I80-V93 HydrophobicContact CG2-CG1 4.11Å; I80-V93 HydrophobicContact CG2-CG2 4.17Å; F82-V93 HydrophobicContact CB-CG2 3.97Å; F82-V93 HydrophobicContact CD1-CG2 4.07Å; F82-V93 HydrophobicContact CG-CG2 4.28Å; F90-V93 VanDerWaalsContact O-CB 3.23Å; F90-V93 WeakPolarHBondContact O-CB 3.4Å; F90-V93 WeakPolarHBondContact O-CG2 3.36Å; F90-V93 PolarHBondContact O-N 3.26Å; E91-V93 PolarHBondContact O-N 3.09Å; E91-V93 VanDerWaalsContact O-N 3.17Å; V93-W97 PolarHBondContact O-N 3.47Å; V93-Y98 WeakPolarHBondContact O-CB 3.24Å; V93-Y98 PolarHBondContact O-N 2.97Å; V93-L112 HydrophobicContact CG1-CD1 3.74Å; V93-L112 HydrophobicContact CG2-CD1 4.05Å; V93-M145 HydrophobicContact CB-CG 4.35Å; V93-M145 HydrophobicContact CB-SD 4.17Å; V93-M145 HydrophobicContact CG1-CG 3.86Å; V93-M145 HydrophobicContact CG1-SD 3.88Å; V93-I149 HydrophobicContact CG1-CD1 4Å; V93-I149 HydrophobicContact CG1-CG2 4.35Å
94R98.4Very high98.4Very high116 Ų11646.1 Ų46.144%0.43824%0.243SC..Iπ-helixtrans-78.8-31.6-179.461.6175.3-179.5-175.93.9113E91 P99 M145 E148E91-R94 WeakPolarHBondContact O-CG 3.34Å; E91-R94 PolarHBondContact O-N 2.76Å; E91-R94 IonicContact OE1-NH2 4Å; E91-R94 IonicContact OE2-CZ 3.04Å; E91-R94 IonicContact OE2-NE 2.93Å; E91-R94 PolarHBondContact OE2-NE 2.87Å; E91-R94 IonicContact OE2-NH2 2.62Å; E91-R94 PolarHBondContact OE2-NH2 2.87Å; R94-P99 VanDerWaalsContact O-CD 3.29Å; R94-P99 WeakPolarHBondContact O-CD 3.43Å; R94-P99 VanDerWaalsContact O-CG 3.28Å; R94-P99 WeakPolarHBondContact O-CG 3.39Å; R94-M145 HydrophobicContact CB-CE 4.27Å; R94-M145 HydrophobicContact CB-SD 3.94Å; R94-M145 HydrophobicContact CG-CE 4.05Å; R94-M145 HydrophobicContact CG-SD 4.39Å; R94-E148 WeakPolarHBondContact CD-OE1 3.42Å
95A98.3Very high98.4Very high73 Ų7346.8 Ų46.860%0.60325%0.247SC*.Iπ-helixtrans-79.9-31.5-17500000113.3E91E91-A95 PolarHBondContact O-N 2.99Å
96K98.1Very high98.3Very high39 Ų3949.5 Ų49.517%0.1727%0.265CS..Iπ-helixtrans-129.5-62.8-172.3178.9173.5180161.60113.2D65 N92 P99 E100D65-K96 VanDerWaalsContact CG-NZ 3.29Å; D65-K96 WeakPolarHBondContact OD1-CE 3.37Å; D65-K96 IonicContact OD1-NZ 3.53Å; D65-K96 PolarHBondContact OD1-NZ 3Å; D65-K96 IonicContact OD2-NZ 2.69Å; D65-K96 PolarHBondContact OD2-NZ 2.57Å; N92-K96 WeakPolarHBondContact O-CA 3.33Å; N92-K96 WeakPolarHBondContact O-CB 3.49Å; N92-K96 PolarHBondContact O-N 2.96Å; K96-P99 WeakPolarHBondContact O-CD 3.41Å; K96-E100 WeakPolarHBondContact O-CB 3.34Å; K96-E100 PolarHBondContact O-N 2.98Å
97W98.6Very high98.1Very high0 Ų054.9 Ų54.90%029%0.29CS..Iπ-helixtrans-68.3-44.5-164.7-61.2111.6000113.4V9 G10 D11 R68 I80 N92 V93 E100 V101V9-W97 HydrophobicContact CB-CE3 3.85Å; V9-W97 HydrophobicContact CB-CZ3 4.15Å; V9-W97 HydrophobicContact CG2-CE3 4.14Å; G10-W97 WeakPolarHBondContact O-CH2 3.49Å; G10-W97 VanDerWaalsContact O-CZ2 3.24Å; G10-W97 WeakPolarHBondContact O-CZ2 3.32Å; D11-W97 PolarHBondContact OD1-NE1 2.79Å; R68-W97 VanDerWaalsContact CZ-CH2 3.44Å; R68-W97 VanDerWaalsContact NH1-CZ3 3.29Å; I80-W97 HydrophobicContact CD1-CB 4.36Å; I80-W97 HydrophobicContact CG2-CB 3.74Å; I80-W97 HydrophobicContact CG2-CG 4.37Å; N92-W97 VanDerWaalsContact O-CD1 3.26Å; N92-W97 PolarHBondContact O-N 2.95Å; V93-W97 PolarHBondContact O-N 3.47Å; W97-E100 PolarHBondContact O-N 3.37Å; W97-V101 WeakPolarHBondContact O-CB 3.5Å; W97-V101 WeakPolarHBondContact O-CG2 3.18Å; W97-V101 PolarHBondContact O-N 3.42Å
98Y98.7Very high98Very high70 Ų7054.9 Ų54.928%0.27529%0.29SS..Hα-helixtrans-64.4-50.8176.9168.1-105000112.3V93 E100 V101 R102 I110 I149V93-Y98 WeakPolarHBondContact O-CB 3.24Å; V93-Y98 PolarHBondContact O-N 2.97Å; Y98-E100 VanDerWaalsContact C-N 3.32Å; Y98-E100 PolarHBondContact O-N 2.63Å; Y98-V101 PolarHBondContact O-N 3.18Å; Y98-R102 HydrophobicContact CD2-CG 3.75Å; Y98-R102 HydrophobicContact CE1-CG 4.32Å; Y98-R102 HydrophobicContact CE2-CG 3.36Å; Y98-R102 HydrophobicContact CG-CG 4.43Å; Y98-R102 WeakPolarHBondContact O-CB 3.33Å; Y98-R102 WeakPolarHBondContact O-CG 3.48Å; Y98-R102 PolarHBondContact O-N 3.23Å; Y98-I110 HydrophobicContact CD2-CD1 4.04Å; Y98-I110 HydrophobicContact CE2-CD1 4.39Å; Y98-I149 HydrophobicContact CD1-CB 4.32Å; Y98-I149 HydrophobicContact CD1-CG2 4.12Å; Y98-I149 HydrophobicContact CD2-CB 3.59Å; Y98-I149 HydrophobicContact CD2-CG1 4.47Å; Y98-I149 HydrophobicContact CD2-CG2 4.12Å; Y98-I149 HydrophobicContact CE2-CB 3.77Å; Y98-I149 WeakPolarHBondContact CE2-O 3.24Å; Y98-I149 HydrophobicContact CG-CB 3.83Å; Y98-I149 HydrophobicContact CG-CG2 3.81Å; Y98-I149 PolarHBondContact OH-O 2.77Å
99P98.5Very high98Very high58 Ų5853.3 Ų53.338%0.37728%0.275SS..Hα-helixtrans-54.5-44174-28.134.6000113.7R94 K96 R102 H103R94-P99 VanDerWaalsContact O-CD 3.29Å; R94-P99 WeakPolarHBondContact O-CD 3.43Å; R94-P99 VanDerWaalsContact O-CG 3.28Å; R94-P99 WeakPolarHBondContact O-CG 3.39Å; K96-P99 WeakPolarHBondContact O-CD 3.41Å; P99-R102 PolarHBondContact O-N 3.23Å; P99-H103 WeakPolarHBondContact O-CB 3.33Å; P99-H103 PolarHBondContact O-N 3.01Å
100E98.4Very high98Very high30 Ų3053.2 Ų53.214%0.1427%0.274CS..Hα-helixtrans-63-50.9179.9-172.9-177.7116.700111.9R68 Y72 K96 W97 Y98 R102 H103 H104R68-E100 WeakPolarHBondContact CD-OE1 3.43Å; R68-E100 IonicContact CZ-OE1 3.28Å; R68-E100 IonicContact NH1-OE1 3.8Å; R68-E100 PolarHBondContact NH1-OE1 2.95Å; R68-E100 IonicContact NH1-OE2 2.76Å; R68-E100 PolarHBondContact NH1-OE2 3.47Å; Y72-E100 HydrophobicContact CE2-CG 4.28Å; Y72-E100 PolarHBondContact OH-OE1 2.78Å; K96-E100 WeakPolarHBondContact O-CB 3.34Å; K96-E100 PolarHBondContact O-N 2.98Å; W97-E100 PolarHBondContact O-N 3.37Å; Y98-E100 VanDerWaalsContact C-N 3.32Å; Y98-E100 PolarHBondContact O-N 2.63Å; E100-R102 VanDerWaalsContact C-N 3.3Å; E100-R102 PolarHBondContact O-N 2.87Å; E100-H103 WeakPolarHBondContact O-CB 3.15Å; E100-H103 PolarHBondContact O-N 3.5Å; E100-H104 PolarHBondContact O-CD2 3.39Å; E100-H104 PolarHBondContact O-N 2.67Å
101V98.4Very high98Very high0 Ų052.7 Ų52.70%027%0.272CS..Hα-helixtrans-59.8-42.5177.3170.40000110.7V9 F78 I80 W97 Y98 H104 C105 I110V9-V101 HydrophobicContact CG2-CG2 3.92Å; F78-V101 HydrophobicContact CB-CG1 4.28Å; F78-V101 HydrophobicContact CD1-CG1 4.16Å; F78-V101 HydrophobicContact CD1-CG2 3.93Å; F78-V101 HydrophobicContact CD2-CG1 3.65Å; F78-V101 HydrophobicContact CE1-CG1 4.42Å; F78-V101 HydrophobicContact CE1-CG2 4.2Å; F78-V101 HydrophobicContact CE2-CG1 3.96Å; F78-V101 HydrophobicContact CG-CG1 3.77Å; F78-V101 HydrophobicContact CG-CG2 4.28Å; F78-V101 HydrophobicContact CZ-CG1 4.33Å; I80-V101 HydrophobicContact CD1-CG2 4.23Å; I80-V101 HydrophobicContact CG1-CG2 4.44Å; W97-V101 WeakPolarHBondContact O-CB 3.5Å; W97-V101 WeakPolarHBondContact O-CG2 3.18Å; W97-V101 PolarHBondContact O-N 3.42Å; Y98-V101 PolarHBondContact O-N 3.18Å; V101-H104 PolarHBondContact O-N 3.38Å; V101-C105 CarbonylContact O-C 3.56Å; V101-C105 WeakPolarHBondContact O-CA 3.46Å; V101-C105 WeakPolarHBondContact O-CB 3.41Å; V101-C105 PolarHBondContact O-N 2.85Å; V101-I110 HydrophobicContact CB-CD1 4.4Å; V101-I110 HydrophobicContact CG1-CD1 3.74Å; V101-I110 HydrophobicContact CG1-CG1 4.12Å
102R97.9Very high98Very high55 Ų5549 Ų4921%0.20826%0.255CS..Hα-helixtrans-70.9-30.5180-72.1-68.1175.6-125.73.1113.5Y98 P99 E100 P106 T108 I110Y98-R102 HydrophobicContact CD2-CG 3.75Å; Y98-R102 HydrophobicContact CE1-CG 4.32Å; Y98-R102 HydrophobicContact CE2-CG 3.36Å; Y98-R102 HydrophobicContact CG-CG 4.43Å; Y98-R102 WeakPolarHBondContact O-CB 3.33Å; Y98-R102 WeakPolarHBondContact O-CG 3.48Å; Y98-R102 PolarHBondContact O-N 3.23Å; P99-R102 PolarHBondContact O-N 3.23Å; E100-R102 VanDerWaalsContact C-N 3.3Å; E100-R102 PolarHBondContact O-N 2.87Å; R102-P106 WeakPolarHBondContact O-CA 3.49Å; R102-T108 PolarHBondContact NH1-O 3.38Å; R102-I110 VanDerWaalsContact NH2-CD1 3.28Å
103H97.8Very high98Very high148 Ų14846.4 Ų46.469%0.68524%0.241SC*.Hα-helixtrans-63.4-45.7174.7178.771.1000111.4P99 E100P99-H103 WeakPolarHBondContact O-CB 3.33Å; P99-H103 PolarHBondContact O-N 3.01Å; E100-H103 WeakPolarHBondContact O-CB 3.15Å; E100-H103 PolarHBondContact O-N 3.5Å
104H97.9Very high98Very high86 Ų8646.4 Ų46.440%0.39824%0.241SC..Hα-helixtrans-88.6-30.4-177.2-69.8-71.8000114.3Y72 E100 V101Y72-H104 HydrophobicContact CD2-CB 3.66Å; Y72-H104 AromaticContact CD2-CD2 3.9Å; Y72-H104 AromaticContact CD2-CG 3.86Å; Y72-H104 HydrophobicContact CE2-CB 4.38Å; Y72-H104 AromaticContact CE2-CD2 3.92Å; E100-H104 PolarHBondContact O-CD2 3.39Å; E100-H104 PolarHBondContact O-N 2.67Å; V101-H104 PolarHBondContact O-N 3.38Å
105C97.3Very high98.1Very high14 Ų1441.1 Ų41.110%0.09522%0.221CC..  trans-138.572-171.6-70.50000110.6F78 V101 N107 T108F78-C105 HydrophobicContact CE2-CB 3.58Å; F78-C105 HydrophobicContact CZ-CB 4.1Å; V101-C105 CarbonylContact O-C 3.56Å; V101-C105 WeakPolarHBondContact O-CA 3.46Å; V101-C105 WeakPolarHBondContact O-CB 3.41Å; V101-C105 PolarHBondContact O-N 2.85Å; C105-N107 VanDerWaalsContact C-N 3.27Å; C105-N107 PolarHBondContact O-N 3.45Å; C105-T108 PolarHBondContact O-N 2.97Å
106P96.2Very high98.1Very high79 Ų7940.8 Ų40.851%0.51321%0.206SC..THydrogen-bonded Turntrans-64.3-28.3-167.723.1-34.4000114.1R102R102-P106 WeakPolarHBondContact O-CA 3.49Å
107N94.8Very high98.1Very high154 Ų15439.7 Ų39.782%0.82420%0.202SC*.THydrogen-bonded Turntrans-108.4-5.8-173.7-59.8-44000114C105C105-N107 VanDerWaalsContact C-N 3.27Å; C105-N107 PolarHBondContact O-N 3.45Å
108T97.6Very high98.1Very high23 Ų2342 Ų4214%0.14122%0.215CC..SBendtrans-71.9133.1-175.6-55.50000110.1T75 D76 F78 R102 C105T75-T108 HydrophobicContact CG2-CG2 4.19Å; T75-T108 WeakPolarHBondContact O-CG2 3.16Å; T75-T108 PolarHBondContact O-OG1 3.49Å; D76-T108 WeakPolarHBondContact O-CG2 3.46Å; F78-T108 HydrophobicContact CD2-CG2 3.52Å; F78-T108 HydrophobicContact CE2-CG2 3.74Å; R102-T108 PolarHBondContact NH1-O 3.38Å; C105-T108 PolarHBondContact O-N 2.97Å
109P98.1Very high98.1Very high29 Ų2941 Ų4119%0.18821%0.213CC..  trans-60.7146.9177.424.6-34.3000111.7D76 V77 F78 V152 A175D76-P109 WeakPolarHBondContact O-CD 3.1Å; D76-P109 WeakPolarHBondContact O-CG 3.47Å; V77-P109 HydrophobicContact CB-CG 4.2Å; V77-P109 HydrophobicContact CG2-CB 4.49Å; V77-P109 HydrophobicContact CG2-CG 4.23Å; F78-P109 PolarHBondContact N-O 2.92Å; P109-V152 HydrophobicContact CB-CG2 3.75Å; P109-A175 HydrophobicContact CB-CB 4.15Å; P109-A175 HydrophobicContact CG-CB 4.48Å
110I98.7Very high98Very high0 Ų040.2 Ų40.20%020%0.203CC..EExtended strand (participates in β ladder)trans-122.4134178.8-63.4177.3000108.2F78 I80 Y98 V101 R102 I149 S151 V152F78-I110 HydrophobicContact CB-CG1 4.27Å; F78-I110 CarbonylContact O-C 3.53Å; F78-I110 WeakPolarHBondContact O-CA 3.27Å; I80-I110 HydrophobicContact CB-CG2 4.37Å; I80-I110 HydrophobicContact CD1-CD1 4Å; I80-I110 HydrophobicContact CD1-CG2 3.78Å; I80-I110 HydrophobicContact CG1-CG2 3.83Å; Y98-I110 HydrophobicContact CD2-CD1 4.04Å; Y98-I110 HydrophobicContact CE2-CD1 4.39Å; V101-I110 HydrophobicContact CB-CD1 4.4Å; V101-I110 HydrophobicContact CG1-CD1 3.74Å; V101-I110 HydrophobicContact CG1-CG1 4.12Å; R102-I110 VanDerWaalsContact NH2-CD1 3.28Å; I110-I149 HydrophobicContact CG2-CD1 4.45Å; I110-S151 CarbonylContact O-C 3.43Å; I110-S151 WeakPolarHBondContact O-CA 3.03Å; I110-S151 WeakPolarHBondContact O-CB 3.19Å; I110-V152 PolarHBondContact O-N 3.44Å
111I98.8Very high97.9Very high0 Ų044.7 Ų44.70%023%0.228CC..EExtended strand (participates in β ladder)trans-105.6128.9161.8-53.2-63.4000107.7V77 F78 L79 I80 V113 V152 K153 L155 A172 A175V77-I111 HydrophobicContact CG2-CG1 4.32Å; F78-I111 PolarHBondContact O-N 2.82Å; L79-I111 WeakPolarHBondContact CA-O 3.45Å; L79-I111 HydrophobicContact CD2-CB 3.66Å; L79-I111 HydrophobicContact CD2-CG1 4.08Å; L79-I111 HydrophobicContact CD2-CG2 4.24Å; I80-I111 PolarHBondContact N-O 2.69Å; I111-V113 HydrophobicContact CG2-CG2 3.94Å; I111-V152 HydrophobicContact CD1-CB 3.94Å; I111-V152 HydrophobicContact CD1-CG1 4.33Å; I111-K153 HydrophobicContact CD1-CB 3.97Å; I111-L155 HydrophobicContact CG2-CD1 4.06Å; I111-A172 HydrophobicContact CG1-CB 4.21Å; I111-A175 HydrophobicContact CD1-CB 4.32Å
112L98.9Very high97.9Very high0 Ų047.4 Ų47.40%024%0.243CC..EExtended strand (participates in β ladder)trans-88.2128.3171.9-177.865.6000108.8I80 F82 V93 M145 A146 I149 K153 Y154 L155I80-L112 HydrophobicContact CB-CD1 4.38Å; I80-L112 HydrophobicContact CG2-CD1 4.29Å; F82-L112 HydrophobicContact CD1-CD1 3.9Å; F82-L112 HydrophobicContact CD1-CG 4.36Å; F82-L112 HydrophobicContact CE1-CD1 4Å; F82-L112 HydrophobicContact CE1-CD2 4.21Å; F82-L112 HydrophobicContact CE1-CG 3.96Å; V93-L112 HydrophobicContact CG1-CD1 3.74Å; V93-L112 HydrophobicContact CG2-CD1 4.05Å; L112-M145 HydrophobicContact CD2-CB 3.9Å; L112-M145 HydrophobicContact CD2-CG 3.67Å; L112-A146 HydrophobicContact CB-CB 4.45Å; L112-A146 HydrophobicContact CD2-CB 3.96Å; L112-I149 HydrophobicContact CB-CD1 4.38Å; L112-I149 HydrophobicContact CD1-CD1 4.23Å; L112-K153 PolarHBondContact N-O 3.07Å; L112-Y154 HydrophobicContact CB-CD2 4.11Å; L112-Y154 HydrophobicContact CD2-CD2 3.87Å; L112-Y154 HydrophobicContact CD2-CE2 4.32Å; L112-Y154 HydrophobicContact CG-CD2 3.86Å; L112-Y154 HydrophobicContact CG-CE2 4.3Å; L112-Y154 WeakPolarHBondContact O-CA 3.32Å; L112-Y154 WeakPolarHBondContact O-CD2 3.39Å; L112-L155 PolarHBondContact O-N 2.93Å
113V98.9Very high97.8Very high0 Ų052.2 Ų52.20%027%0.265CS..EExtended strand (participates in β ladder)trans-124.8117.2-173.9-172.80000111.1L79 I80 C81 F82 I111 T115 L155 V168L79-V113 HydrophobicContact CB-CG2 4.27Å; L79-V113 HydrophobicContact CD2-CG2 4.19Å; I80-V113 PolarHBondContact O-N 2.93Å; C81-V113 WeakPolarHBondContact CA-O 3.06Å; F82-V113 WeakPolarHBondContact CD1-O 3.32Å; F82-V113 PolarHBondContact N-O 2.76Å; I111-V113 HydrophobicContact CG2-CG2 3.94Å; V113-T115 HydrophobicContact CG1-CG2 4.16Å; V113-L155 CarbonylContact C-O 3.42Å; V113-L155 WeakPolarHBondContact CA-O 3.38Å; V113-V168 HydrophobicContact CG1-CG1 4.36Å; V113-V168 HydrophobicContact CG1-CG2 4.07Å; V113-V168 HydrophobicContact CG2-CG1 3.86Å
114G98.9Very high97.8Very high0 Ų049.7 Ų49.70%026%0.257CS..EExtended strand (participates in β ladder)trans-87.4111.2167.900000110.9F82 L155 E156 C157F82-G114 CarbonylContact O-C 3.43Å; F82-G114 WeakPolarHBondContact O-CA 3.1Å; G114-L155 PolarHBondContact N-O 3.18Å; G114-E156 CarbonylContact O-C 3.56Å; G114-E156 WeakPolarHBondContact O-CA 3.41Å; G114-C157 PolarHBondContact O-N 3.16Å
115T98.8Very high97.8Very high5 Ų546.7 Ų46.73%0.03124%0.244CC..EExtended strand (participates in β ladder)trans-93.7169.9-177.663.60000112.1V14 C81 F82 S83 L84 V113 L117 C157V14-T115 WeakPolarHBondContact O-CB 3.21Å; V14-T115 PolarHBondContact O-OG1 3.19Å; C81-T115 HydrophobicContact CB-CG2 4.17Å; F82-T115 PolarHBondContact O-N 2.84Å; F82-T115 PolarHBondContact O-OG1 2.92Å; S83-T115 WeakPolarHBondContact CA-OG1 3.45Å; L84-T115 WeakPolarHBondContact CB-O 3.43Å; L84-T115 VanDerWaalsContact CG-O 3.32Å; L84-T115 WeakPolarHBondContact CG-O 3.22Å; L84-T115 PolarHBondContact N-O 3.31Å; V113-T115 HydrophobicContact CG1-CG2 4.16Å; T115-L117 VanDerWaalsContact C-N 3.34Å; T115-L117 PolarHBondContact O-N 3.32Å; T115-C157 CarbonylContact C-O 3.54Å; T115-C157 WeakPolarHBondContact CA-O 3.43Å
116K98.4Very high97.7Very high66 Ų6649.7 Ų49.729%0.28726%0.258SS..  trans59.641178.8-45.7-166.6-170.9-172.90113.2A13 V14 V85 D118 L119 C157A13-K116 VanDerWaalsContact O-CE 3.25Å; A13-K116 WeakPolarHBondContact O-CE 3.47Å; A13-K116 PolarHBondContact O-NZ 2.86Å; V14-K116 WeakPolarHBondContact O-CE 3.46Å; V85-K116 HydrophobicContact CG2-CD 4.48Å; K116-D118 PolarHBondContact O-N 3.03Å; K116-L119 HydrophobicContact CB-CB 4.48Å; K116-L119 HydrophobicContact CB-CD1 4.03Å; K116-L119 HydrophobicContact CB-CG 4.25Å; K116-L119 HydrophobicContact CD-CD1 3.9Å; K116-L119 PolarHBondContact O-N 3.47Å; K116-C157 PolarHBondContact N-O 3.27Å; K116-C157 VanDerWaalsContact N-O 3.12Å
117L98.7Very high97.8Very high17 Ų1751.5 Ų51.59%0.08926%0.26CS..G310 helixtrans-55.8-31.6178.2178.561.2000113.3L84 T115 L119 R120 E156 C157 R163L84-L117 HydrophobicContact CD1-CB 3.91Å; L84-L117 HydrophobicContact CD1-CD1 3.68Å; L84-L117 HydrophobicContact CD1-CG 4.42Å; T115-L117 VanDerWaalsContact C-N 3.34Å; T115-L117 PolarHBondContact O-N 3.32Å; L117-L119 PolarHBondContact O-N 3.41Å; L117-R120 VanDerWaalsContact CD1-NH1 3.27Å; L117-R120 WeakPolarHBondContact O-CB 3.36Å; L117-R120 PolarHBondContact O-N 3.15Å; L117-E156 HydrophobicContact CD1-CB 4.42Å; L117-E156 WeakPolarHBondContact CD1-OE2 3.05Å; L117-E156 HydrophobicContact CD2-CB 4.29Å; L117-C157 WeakPolarHBondContact CB-O 3.22Å; L117-C157 PolarHBondContact N-O 3.41Å; L117-C157 VanDerWaalsContact N-O 3.09Å; L117-R163 HydrophobicContact CD2-CG 4.35Å
118D98.1Very high97.9Very high49 Ų4950.2 Ų50.226%0.26225%0.246SC..G310 helixtrans-58.5-27.9174.350.6-73.3000113.5K116 S158 T161K116-D118 PolarHBondContact O-N 3.03Å; D118-S158 VanDerWaalsContact CG-OG 3.23Å; D118-S158 WeakPolarHBondContact OD1-CB 3.25Å; D118-S158 PolarHBondContact OD1-OG 3Å; D118-T161 HydrophobicContact CB-CG2 4.08Å
119L98.2Very high97.9Very high47 Ų4749.8 Ų49.825%0.24624%0.243CC..G310 helixtrans-88.5-6.8-178.2-58.9-176.9000113.8V85 K116 L117 D121 D122 T125V85-L119 HydrophobicContact CB-CB 4.48Å; V85-L119 HydrophobicContact CG1-CB 3.72Å; V85-L119 WeakPolarHBondContact CG1-O 3.32Å; V85-L119 HydrophobicContact CG2-CB 4.04Å; V85-L119 HydrophobicContact CG2-CD1 3.92Å; K116-L119 HydrophobicContact CB-CB 4.48Å; K116-L119 HydrophobicContact CB-CD1 4.03Å; K116-L119 HydrophobicContact CB-CG 4.25Å; K116-L119 HydrophobicContact CD-CD1 3.9Å; K116-L119 PolarHBondContact O-N 3.47Å; L117-L119 PolarHBondContact O-N 3.41Å; L119-D121 VanDerWaalsContact C-N 3.3Å; L119-D121 PolarHBondContact O-N 3.38Å; L119-D122 HydrophobicContact CD2-CB 4.29Å; L119-D122 PolarHBondContact O-N 3.19Å; L119-T125 HydrophobicContact CB-CG2 4.28Å
120R97.8Very high97.8Very high42 Ų4256.2 Ų56.216%0.15827%0.268CS..THydrogen-bonded Turntrans-60.9-42.2-177.2175.3178.9-75.2155.5-4.5112.1L117 P136 I137 E156L117-R120 VanDerWaalsContact CD1-NH1 3.27Å; L117-R120 WeakPolarHBondContact O-CB 3.36Å; L117-R120 PolarHBondContact O-N 3.15Å; R120-P136 HydrophobicContact CG-CB 4.08Å; R120-P136 WeakPolarHBondContact O-CG 3.39Å; R120-I137 PolarHBondContact NE-O 3.03Å; R120-I137 PolarHBondContact NH2-O 3.25Å; R120-E156 IonicContact CZ-OE1 3.25Å; R120-E156 IonicContact CZ-OE2 2.97Å; R120-E156 IonicContact NH1-OE1 2.93Å; R120-E156 IonicContact NH1-OE2 2.82Å; R120-E156 PolarHBondContact NH1-OE2 3.36Å; R120-E156 IonicContact NH2-OE1 2.69Å; R120-E156 PolarHBondContact NH2-OE1 2.93Å; R120-E156 IonicContact NH2-OE2 2.92Å; R120-E156 PolarHBondContact NH2-OE2 2.65Å; R120-E156 VanDerWaalsContact NH2-OE2 3.17Å
121D95.5Very high97.8Very high125 Ų12563.7 Ų63.767%0.66830%0.303SS*.THydrogen-bonded Turntrans-106.710.1-177-54.8-47.3000111.8L119 M126L119-D121 VanDerWaalsContact C-N 3.3Å; L119-D121 PolarHBondContact O-N 3.38Å; D121-M126 WeakPolarHBondContact O-CE 3.12Å
122D97.8Very high97.7Very high56 Ų5671.1 Ų71.130%0.29934%0.336SS..  trans-71.8127.7176.8172.661.1000110.7L119 D124 T125 M126L119-D122 HydrophobicContact CD2-CB 4.29Å; L119-D122 PolarHBondContact O-N 3.19Å; D122-D124 PolarHBondContact O-N 3.23Å; D122-T125 PolarHBondContact O-N 3.23Å; D122-T125 WeakPolarHBondContact OD2-CB 3.28Å; D122-T125 PolarHBondContact OD2-N 3.19Å; D122-T125 PolarHBondContact OD2-OG1 2.89Å; D122-M126 WeakPolarHBondContact O-CB 3.4Å; D122-M126 VanDerWaalsContact O-CG 3.31Å; D122-M126 WeakPolarHBondContact O-CG 3.44Å; D122-M126 PolarHBondContact O-N 3Å
123K97.4Very high97.6Very high156 Ų15680.6 Ų80.668%0.67838%0.377SS*.Hα-helixtrans-61.5-50.2-172-68.9-176.8-179.3177.90111.9T125 M126 E127K123-T125 VanDerWaalsContact C-N 3.29Å; K123-T125 PolarHBondContact O-N 3.26Å; K123-M126 HydrophobicContact CG-CE 4.48Å; K123-M126 PolarHBondContact O-N 3.38Å; K123-E127 WeakPolarHBondContact O-CG 3.45Å; K123-E127 PolarHBondContact O-N 2.92Å
124D97.5Very high97.5Very high96 Ų9684.4 Ų84.451%0.51340%0.397SS..Hα-helixtrans-63.1-39.5-178-65.70.7000111D122 K128D122-D124 PolarHBondContact O-N 3.23Å; D124-K128 WeakPolarHBondContact O-CB 3.18Å; D124-K128 WeakPolarHBondContact O-CD 3.11Å; D124-K128 VanDerWaalsContact O-CG 3.25Å; D124-K128 WeakPolarHBondContact O-CG 2.82Å; D124-K128 PolarHBondContact O-N 3.12Å
125T96.9Very high97.5Very high22 Ų2287.8 Ų87.814%0.13542%0.42CS..Hα-helixtrans-66.8-43.6176.6-59.60000111.9V85 L119 D122 K123 K128 L129V85-T125 HydrophobicContact CB-CG2 3.67Å; V85-T125 HydrophobicContact CG1-CG2 3.61Å; V85-T125 HydrophobicContact CG2-CG2 4.13Å; L119-T125 HydrophobicContact CB-CG2 4.28Å; D122-T125 PolarHBondContact O-N 3.23Å; D122-T125 WeakPolarHBondContact OD2-CB 3.28Å; D122-T125 PolarHBondContact OD2-N 3.19Å; D122-T125 PolarHBondContact OD2-OG1 2.89Å; K123-T125 VanDerWaalsContact C-N 3.29Å; K123-T125 PolarHBondContact O-N 3.26Å; T125-K128 PolarHBondContact O-N 2.86Å; T125-L129 HydrophobicContact CG2-CD1 4.19Å; T125-L129 WeakPolarHBondContact O-CG 3.31Å; T125-L129 PolarHBondContact O-N 2.53Å
126M96.6Very high97.5Very high77 Ų7788.5 Ų88.538%0.37943%0.425SS..Hα-helixtrans-62-42.2175.9-74.4-169.9-6600112D121 D122 K123 L129 K130D121-M126 WeakPolarHBondContact O-CE 3.12Å; D122-M126 WeakPolarHBondContact O-CB 3.4Å; D122-M126 VanDerWaalsContact O-CG 3.31Å; D122-M126 WeakPolarHBondContact O-CG 3.44Å; D122-M126 PolarHBondContact O-N 3Å; K123-M126 HydrophobicContact CG-CE 4.48Å; K123-M126 PolarHBondContact O-N 3.38Å; M126-L129 PolarHBondContact O-N 3.33Å; M126-K130 VanDerWaalsContact O-CB 3.31Å; M126-K130 WeakPolarHBondContact O-CB 3.25Å; M126-K130 PolarHBondContact O-N 3.04Å
127E97.5Very high97.5Very high118 Ų11885.7 Ų85.755%0.55141%0.413SS*.Hα-helixtrans-61.8-49.6177.1-74.2176.7-176.500111.4K123 L129 K130 E131K123-E127 WeakPolarHBondContact O-CG 3.45Å; K123-E127 PolarHBondContact O-N 2.92Å; E127-L129 VanDerWaalsContact C-N 3.3Å; E127-L129 PolarHBondContact O-N 3.01Å; E127-K130 WeakPolarHBondContact O-CB 3.42Å; E127-K130 PolarHBondContact O-N 3.43Å; E127-K130 VanDerWaalsContact O-N 3.1Å; E127-E131 WeakPolarHBondContact O-CG 3.38Å; E127-E131 PolarHBondContact O-N 2.89Å
128K96.9Very high97.5Very high126 Ų12687.8 Ų87.855%0.54843%0.427SS..Hα-helixtrans-59.2-37.5176.8-72.9168-173.51650113.3D124 T125D124-K128 WeakPolarHBondContact O-CB 3.18Å; D124-K128 WeakPolarHBondContact O-CD 3.11Å; D124-K128 VanDerWaalsContact O-CG 3.25Å; D124-K128 WeakPolarHBondContact O-CG 2.82Å; D124-K128 PolarHBondContact O-N 3.12Å; T125-K128 PolarHBondContact O-N 2.86Å
129L97.1Very high97.5Very high15 Ų1590.7 Ų90.78%0.07944%0.435CS..Hα-helixtrans-70-42.5175.5-76.2171.2000111.1V85 T125 M126 E127 E131 K132 K133 L134 P136V85-L129 HydrophobicContact CB-CD1 4.14Å; V85-L129 HydrophobicContact CG1-CD1 4.44Å; T125-L129 HydrophobicContact CG2-CD1 4.19Å; T125-L129 WeakPolarHBondContact O-CG 3.31Å; T125-L129 PolarHBondContact O-N 2.53Å; M126-L129 PolarHBondContact O-N 3.33Å; E127-L129 VanDerWaalsContact C-N 3.3Å; E127-L129 PolarHBondContact O-N 3.01Å; L129-E131 PolarHBondContact O-N 2.91Å; L129-K132 CarbonylContact O-C 3.27Å; L129-K132 WeakPolarHBondContact O-CA 3.47Å; L129-K132 PolarHBondContact O-N 3.4Å; L129-K133 PolarHBondContact O-N 3.47Å; L129-L134 CarbonylContact C-O 3.51Å; L129-L134 VanDerWaalsContact C-O 3.27Å; L129-L134 HydrophobicContact CB-CB 4.32Å; L129-L134 HydrophobicContact CD2-CB 3.92Å; L129-L134 HydrophobicContact CD2-CD1 4.35Å; L129-L134 PolarHBondContact O-N 2.96Å; L129-P136 HydrophobicContact CD1-CB 4.48Å; L129-P136 HydrophobicContact CD1-CG 3.75Å
130K96.9Very high97.5Very high164 Ų16492.7 Ų92.771%0.71345%0.451SS*.Hα-helixtrans-63.1-38.8179.3-173179.9178.2-176.10112.5M126 E127 K132 K133M126-K130 VanDerWaalsContact O-CB 3.31Å; M126-K130 WeakPolarHBondContact O-CB 3.25Å; M126-K130 PolarHBondContact O-N 3.04Å; E127-K130 WeakPolarHBondContact O-CB 3.42Å; E127-K130 PolarHBondContact O-N 3.43Å; E127-K130 VanDerWaalsContact O-N 3.1Å; K130-K132 PolarHBondContact O-N 2.95Å; K130-K133 WeakPolarHBondContact O-CA 3.42Å; K130-K133 PolarHBondContact O-N 3.31Å
131E97.3Very high97.5Very high157 Ų15794.4 Ų94.473%0.73446%0.461SS*.Hα-helixtrans-55.1-35.5172.1-73.8175.5175.400112.1E127 L129 K133E127-E131 WeakPolarHBondContact O-CG 3.38Å; E127-E131 PolarHBondContact O-N 2.89Å; L129-E131 PolarHBondContact O-N 2.91Å; E131-K133 VanDerWaalsContact C-N 3.32Å
132K97Very high97.7Very high156 Ų15688.5 Ų88.568%0.67843%0.429SS*.THydrogen-bonded Turntrans-88.86.6176.6-61.4-180-177.8-179.40113.5L129 K130 L134L129-K132 CarbonylContact O-C 3.27Å; L129-K132 WeakPolarHBondContact O-CA 3.47Å; L129-K132 PolarHBondContact O-N 3.4Å; K130-K132 PolarHBondContact O-N 2.95Å; K132-L134 HydrophobicContact CB-CD1 4.13Å; K132-L134 HydrophobicContact CB-CG 4.19Å; K132-L134 PolarHBondContact O-N 2.77Å
133K97.4Very high97.7Very high199 Ų19989.6 Ų89.687%0.86543%0.434SS*.THydrogen-bonded Turntrans57.432.8-173.9-54177.7-179176.70113.3L129 K130 E131L129-K133 PolarHBondContact O-N 3.47Å; K130-K133 WeakPolarHBondContact O-CA 3.42Å; K130-K133 PolarHBondContact O-N 3.31Å; E131-K133 VanDerWaalsContact C-N 3.32Å
134L97.6Very high97.8Very high80 Ų8085 Ų8542%0.41943%0.425SS..  trans-111.5162.9177.1-64176.9000110.4P87 L129 K132P87-L134 HydrophobicContact CG-CB 4.27Å; P87-L134 HydrophobicContact CG-CD1 4.28Å; P87-L134 HydrophobicContact CG-CD2 4.4Å; L129-L134 CarbonylContact C-O 3.51Å; L129-L134 VanDerWaalsContact C-O 3.27Å; L129-L134 HydrophobicContact CB-CB 4.32Å; L129-L134 HydrophobicContact CD2-CB 3.92Å; L129-L134 HydrophobicContact CD2-CD1 4.35Å; L129-L134 PolarHBondContact O-N 2.96Å; K132-L134 HydrophobicContact CB-CD1 4.13Å; K132-L134 HydrophobicContact CB-CG 4.19Å; K132-L134 PolarHBondContact O-N 2.77Å
135S97.6Very high97.9Very high71 Ų7180.7 Ų80.750%0.49740%0.402SS..  trans-131.6156.7170.864.20000110.2P87P87-S135 WeakPolarHBondContact CG-O 3.33Å
136P98.4Very high97.9Very high20 Ų2080 Ų8013%0.1340%0.398CS..PPolyproline II helixtrans-55.4151.1168.4-23.233.1000111.6L84 V85 R120 L129 T138L84-P136 CarbonylContact O-C 3.58Å; L84-P136 VanDerWaalsContact O-CA 3.3Å; L84-P136 WeakPolarHBondContact O-CA 3.5Å; V85-P136 HydrophobicContact CG1-CB 4.43Å; R120-P136 HydrophobicContact CG-CB 4.08Å; R120-P136 WeakPolarHBondContact O-CG 3.39Å; L129-P136 HydrophobicContact CD1-CB 4.48Å; L129-P136 HydrophobicContact CD1-CG 3.75Å; P136-T138 PolarHBondContact O-N 2.85Å
137I98.6Very high98Very high6 Ų685.1 Ų85.13%0.03142%0.419CS..PPolyproline II helixtrans-70.3126.5173.8-56.3-56.5000109.1F82 L84 P87 F90 R120 Q141F82-I137 HydrophobicContact CE2-CB 4.02Å; F82-I137 HydrophobicContact CE2-CG1 4.08Å; F82-I137 HydrophobicContact CE2-CG2 3.81Å; F82-I137 HydrophobicContact CZ-CG2 4.19Å; L84-I137 HydrophobicContact CD2-CB 4.16Å; L84-I137 HydrophobicContact CD2-CG2 4.43Å; L84-I137 PolarHBondContact O-N 2.58Å; P87-I137 HydrophobicContact CB-CD1 4.18Å; P87-I137 HydrophobicContact CG-CD1 4.33Å; F90-I137 HydrophobicContact CB-CD1 3.93Å; F90-I137 HydrophobicContact CB-CG1 3.88Å; F90-I137 HydrophobicContact CD1-CD1 3.72Å; F90-I137 HydrophobicContact CD1-CG1 4.35Å; F90-I137 HydrophobicContact CD2-CG1 4.46Å; F90-I137 HydrophobicContact CD2-CG2 4.06Å; F90-I137 HydrophobicContact CE1-CD1 4.39Å; F90-I137 HydrophobicContact CE2-CG2 4.08Å; F90-I137 HydrophobicContact CG-CD1 3.86Å; F90-I137 HydrophobicContact CG-CG1 3.99Å; F90-I137 HydrophobicContact CG-CG2 4.27Å; F90-I137 HydrophobicContact CZ-CG2 4.33Å; R120-I137 PolarHBondContact NE-O 3.03Å; R120-I137 PolarHBondContact NH2-O 3.25Å; I137-Q141 HydrophobicContact CG2-CB 3.94Å
138T98.6Very high98Very high62 Ų6284.9 Ų84.938%0.3842%0.418SS..PPolyproline II helixtrans-84.5156.5178.165.60000111.3P136 Q141 G142P136-T138 PolarHBondContact O-N 2.85Å; T138-Q141 WeakPolarHBondContact O-CB 3.49Å; T138-Q141 PolarHBondContact O-N 2.96Å; T138-Q141 VanDerWaalsContact O-N 3.13Å; T138-Q141 WeakPolarHBondContact OG1-CG 3.47Å; T138-Q141 PolarHBondContact OG1-OE1 3.5Å; T138-G142 PolarHBondContact O-N 3.14Å; T138-G142 VanDerWaalsContact O-N 3.15Å
139Y98.5Very high98.1Very high110 Ų11079 Ų7943%0.43139%0.392SS..Hα-helixtrans-56.3-42.6177.1-169.9-95.2000113.2Q141 G142 L143 Y154 E156Y139-Q141 VanDerWaalsContact C-N 3.34Å; Y139-Q141 PolarHBondContact O-N 2.78Å; Y139-G142 PolarHBondContact O-N 2.89Å; Y139-L143 HydrophobicContact CD1-CD1 3.71Å; Y139-L143 HydrophobicContact CD1-CG 3.99Å; Y139-L143 HydrophobicContact CE1-CD1 3.41Å; Y139-L143 VanDerWaalsContact CE1-CD1 3.41Å; Y139-L143 HydrophobicContact CE1-CD2 4.08Å; Y139-L143 HydrophobicContact CE1-CG 3.66Å; Y139-L143 PolarHBondContact O-N 3.36Å; Y139-Y154 HydrophobicContact CD2-CD1 4.23Å; Y139-Y154 AromaticContact CD2-CE1 3.72Å; Y139-Y154 HydrophobicContact CD2-CE1 3.72Å; Y139-Y154 AromaticContact CE2-CD1 3.88Å; Y139-Y154 HydrophobicContact CE2-CD1 3.88Å; Y139-Y154 AromaticContact CE2-CE1 3.82Å; Y139-Y154 HydrophobicContact CE2-CE1 3.82Å; Y139-Y154 HydrophobicContact CG-CE1 4.28Å; Y139-E156 WeakPolarHBondContact CA-OE1 3.31Å; Y139-E156 HydrophobicContact CD2-CG 4.25Å; Y139-E156 WeakPolarHBondContact CD2-OE1 3.49Å
140P98.8Very high98.1Very high89 Ų8980.6 Ų80.658%0.57841%0.412SS*.Hα-helixtrans-61.6-35.9175.4-25.636.8000114.3L143 A144P140-L143 PolarHBondContact O-N 3.21Å; P140-A144 WeakPolarHBondContact O-CB 3.29Å; P140-A144 PolarHBondContact O-N 2.84Å
141Q98.7Very high98.1Very high78 Ų7873.7 Ų73.736%0.36438%0.384SS..Hα-helixtrans-64.3-45.4174.8-73.3168.2-63.100110.9F90 I137 T138 Y139 L143 A144 M145F90-Q141 HydrophobicContact CE1-CB 4.4Å; F90-Q141 HydrophobicContact CZ-CB 4.1Å; F90-Q141 WeakPolarHBondContact CZ-O 3.33Å; I137-Q141 HydrophobicContact CG2-CB 3.94Å; T138-Q141 WeakPolarHBondContact O-CB 3.49Å; T138-Q141 PolarHBondContact O-N 2.96Å; T138-Q141 VanDerWaalsContact O-N 3.13Å; T138-Q141 WeakPolarHBondContact OG1-CG 3.47Å; T138-Q141 PolarHBondContact OG1-OE1 3.5Å; Y139-Q141 VanDerWaalsContact C-N 3.34Å; Y139-Q141 PolarHBondContact O-N 2.78Å; Q141-L143 PolarHBondContact O-N 2.94Å; Q141-A144 WeakPolarHBondContact O-CB 3.46Å; Q141-A144 PolarHBondContact O-N 3.28Å; Q141-M145 PolarHBondContact O-N 3.43Å
142G98.8Very high98.1Very high0 Ų069 Ų690%037%0.367CS..Hα-helixtrans-61.1-41.317600000113.5T138 Y139 A144 M145 A146 Y154T138-G142 PolarHBondContact O-N 3.14Å; T138-G142 VanDerWaalsContact O-N 3.15Å; Y139-G142 PolarHBondContact O-N 2.89Å; G142-A144 PolarHBondContact O-N 2.78Å; G142-M145 PolarHBondContact O-N 2.98Å; G142-A146 WeakPolarHBondContact O-CB 3.5Å; G142-A146 PolarHBondContact O-N 3.14Å; G142-Y154 VanDerWaalsContact CA-CZ 3.49Å
143L98.6Very high98.2Very high80 Ų8065.5 Ų65.542%0.41935%0.351SS..Hα-helixtrans-61.4-41.4172.3-78178.7000112.7Y139 P140 Q141 A146 K147 Y154Y139-L143 HydrophobicContact CD1-CD1 3.71Å; Y139-L143 HydrophobicContact CD1-CG 3.99Å; Y139-L143 HydrophobicContact CE1-CD1 3.41Å; Y139-L143 VanDerWaalsContact CE1-CD1 3.41Å; Y139-L143 HydrophobicContact CE1-CD2 4.08Å; Y139-L143 HydrophobicContact CE1-CG 3.66Å; Y139-L143 PolarHBondContact O-N 3.36Å; P140-L143 PolarHBondContact O-N 3.21Å; Q141-L143 PolarHBondContact O-N 2.94Å; L143-A146 PolarHBondContact O-N 2.97Å; L143-K147 PolarHBondContact O-N 3.05Å; L143-Y154 HydrophobicContact CD2-CD1 4.03Å; L143-Y154 HydrophobicContact CG-CD1 4.05Å
144A98.8Very high98.2Very high59 Ų5956.3 Ų56.349%0.48831%0.311SS..Hα-helixtrans-62.8-45.7177.700000111.2P140 Q141 G142 A146 K147 E148P140-A144 WeakPolarHBondContact O-CB 3.29Å; P140-A144 PolarHBondContact O-N 2.84Å; Q141-A144 WeakPolarHBondContact O-CB 3.46Å; Q141-A144 PolarHBondContact O-N 3.28Å; G142-A144 PolarHBondContact O-N 2.78Å; A144-A146 PolarHBondContact O-N 2.65Å; A144-K147 WeakPolarHBondContact O-CB 3.35Å; A144-K147 PolarHBondContact O-N 3.4Å; A144-E148 PolarHBondContact O-N 2.96Å
145M98.8Very high98.3Very high5 Ų553.6 Ų53.63%0.02530%0.297CS..Hα-helixtrans-60.6-44.7175-179.164.568.400111.9F90 V93 R94 L112 Q141 G142 K147 E148 I149F90-M145 HydrophobicContact CD1-CE 4.34Å; F90-M145 HydrophobicContact CD2-CE 4.47Å; F90-M145 HydrophobicContact CE1-CE 3.89Å; F90-M145 HydrophobicContact CE2-CB 3.54Å; F90-M145 HydrophobicContact CE2-CE 4.05Å; F90-M145 HydrophobicContact CE2-CG 3.85Å; F90-M145 HydrophobicContact CZ-CB 3.59Å; F90-M145 HydrophobicContact CZ-CE 3.75Å; F90-M145 HydrophobicContact CZ-CG 4.18Å; V93-M145 HydrophobicContact CB-CG 4.35Å; V93-M145 HydrophobicContact CB-SD 4.17Å; V93-M145 HydrophobicContact CG1-CG 3.86Å; V93-M145 HydrophobicContact CG1-SD 3.88Å; R94-M145 HydrophobicContact CB-CE 4.27Å; R94-M145 HydrophobicContact CB-SD 3.94Å; R94-M145 HydrophobicContact CG-CE 4.05Å; R94-M145 HydrophobicContact CG-SD 4.39Å; L112-M145 HydrophobicContact CD2-CB 3.9Å; L112-M145 HydrophobicContact CD2-CG 3.67Å; Q141-M145 PolarHBondContact O-N 3.43Å; G142-M145 PolarHBondContact O-N 2.98Å; M145-K147 VanDerWaalsContact C-N 3.29Å; M145-K147 PolarHBondContact O-N 3.41Å; M145-E148 WeakPolarHBondContact O-CB 3.16Å; M145-E148 PolarHBondContact O-N 3.31Å; M145-E148 VanDerWaalsContact O-N 3.11Å; M145-I149 WeakPolarHBondContact O-CG1 3.34Å; M145-I149 PolarHBondContact O-N 2.95Å; M145-I149 HydrophobicContact SD-CG2 3.99Å
146A98.6Very high98.4Very high7 Ų751.5 Ų51.56%0.05828%0.279CS..Hα-helixtrans-58.5-40.8176.700000112.6L112 G142 L143 A144 G150 S151 Y154L112-A146 HydrophobicContact CB-CB 4.45Å; L112-A146 HydrophobicContact CD2-CB 3.96Å; G142-A146 WeakPolarHBondContact O-CB 3.5Å; G142-A146 PolarHBondContact O-N 3.14Å; L143-A146 PolarHBondContact O-N 2.97Å; A144-A146 PolarHBondContact O-N 2.65Å; A146-G150 WeakPolarHBondContact O-CA 3.5Å; A146-G150 PolarHBondContact O-N 2.88Å; A146-S151 WeakPolarHBondContact CA-OG 3.32Å; A146-S151 WeakPolarHBondContact CB-OG 3.36Å; A146-S151 PolarHBondContact O-N 3.2Å; A146-Y154 HydrophobicContact CB-CG 4.47Å
147K98.3Very high98.4Very high185 Ų18550.6 Ų50.680%0.80427%0.273SS*.Hα-helixtrans-66.1-41.7174-175.1-179.3177.4-176.40111.9L143 A144 M145 G150L143-K147 PolarHBondContact O-N 3.05Å; A144-K147 WeakPolarHBondContact O-CB 3.35Å; A144-K147 PolarHBondContact O-N 3.4Å; M145-K147 VanDerWaalsContact C-N 3.29Å; M145-K147 PolarHBondContact O-N 3.41Å; K147-G150 PolarHBondContact O-N 2.92Å
148E97.9Very high98.4Very high113 Ų11350.3 Ų50.353%0.52827%0.272SS..Hα-helixtrans-59.8-49.6178.2-176.8-179.4153.200111.5R94 A144 M145 G150R94-E148 WeakPolarHBondContact CD-OE1 3.42Å; A144-E148 PolarHBondContact O-N 2.96Å; M145-E148 WeakPolarHBondContact O-CB 3.16Å; M145-E148 PolarHBondContact O-N 3.31Å; M145-E148 VanDerWaalsContact O-N 3.11Å; E148-G150 VanDerWaalsContact C-N 3.3Å; E148-G150 PolarHBondContact O-N 3.26Å
149I97.9Very high98.3Very high3 Ų348 Ų482%0.01526%0.259CS..Hα-helixtrans-82.2-9.1-178.773172.9000113.4V93 Y98 I110 L112 M145V93-I149 HydrophobicContact CG1-CD1 4Å; V93-I149 HydrophobicContact CG1-CG2 4.35Å; Y98-I149 HydrophobicContact CD1-CB 4.32Å; Y98-I149 HydrophobicContact CD1-CG2 4.12Å; Y98-I149 HydrophobicContact CD2-CB 3.59Å; Y98-I149 HydrophobicContact CD2-CG1 4.47Å; Y98-I149 HydrophobicContact CD2-CG2 4.12Å; Y98-I149 HydrophobicContact CE2-CB 3.77Å; Y98-I149 WeakPolarHBondContact CE2-O 3.24Å; Y98-I149 HydrophobicContact CG-CB 3.83Å; Y98-I149 HydrophobicContact CG-CG2 3.81Å; Y98-I149 PolarHBondContact OH-O 2.77Å; I110-I149 HydrophobicContact CG2-CD1 4.45Å; L112-I149 HydrophobicContact CB-CD1 4.38Å; L112-I149 HydrophobicContact CD1-CD1 4.23Å; M145-I149 WeakPolarHBondContact O-CG1 3.34Å; M145-I149 PolarHBondContact O-N 2.95Å; M145-I149 HydrophobicContact SD-CG2 3.99Å
150G97.1Very high98.2Very high48 Ų4847.1 Ų47.150%0.49526%0.261SS..THydrogen-bonded Turntrans63.542.9-175.500000112.8A146 K147 E148A146-G150 WeakPolarHBondContact O-CA 3.5Å; A146-G150 PolarHBondContact O-N 2.88Å; K147-G150 PolarHBondContact O-N 2.92Å; E148-G150 VanDerWaalsContact C-N 3.3Å; E148-G150 PolarHBondContact O-N 3.26Å
151S97.8Very high98.1Very high19 Ų1947 Ų4713%0.13326%0.259CS..  trans-69153.817173.20000110.3I110 A146 K153I110-S151 CarbonylContact O-C 3.43Å; I110-S151 WeakPolarHBondContact O-CA 3.03Å; I110-S151 WeakPolarHBondContact O-CB 3.19Å; A146-S151 WeakPolarHBondContact CA-OG 3.32Å; A146-S151 WeakPolarHBondContact CB-OG 3.36Å; A146-S151 PolarHBondContact O-N 3.2Å; S151-K153 VanDerWaalsContact C-N 3.28Å; S151-K153 PolarHBondContact OG-O 3.01Å
152V97.6Very high98Very high60 Ų6047 Ų4736%0.36426%0.259SS..SBendtrans-66.2-37.4176.6176.90000110.1P109 I110 I111 A175 P180P109-V152 HydrophobicContact CB-CG2 3.75Å; I110-V152 PolarHBondContact O-N 3.44Å; I111-V152 HydrophobicContact CD1-CB 3.94Å; I111-V152 HydrophobicContact CD1-CG1 4.33Å; V152-A175 HydrophobicContact CB-CB 4.43Å; V152-A175 HydrophobicContact CG1-CB 4.02Å; V152-A175 HydrophobicContact CG2-CB 4.38Å; V152-P180 HydrophobicContact CG1-CG 4.44Å; V152-P180 HydrophobicContact CG2-CG 4.17Å
153K97.9Very high97.9Very high82 Ų8255 Ų5536%0.35729%0.289SS..EExtended strand (participates in β ladder)trans-150.8160.4178.2-144.6162.3-169.2172.40111.9I111 L112 S151 L155 E171I111-K153 HydrophobicContact CD1-CB 3.97Å; L112-K153 PolarHBondContact N-O 3.07Å; S151-K153 VanDerWaalsContact C-N 3.28Å; S151-K153 PolarHBondContact OG-O 3.01Å; K153-L155 HydrophobicContact CD-CD1 4.49Å; K153-L155 HydrophobicContact CD-CD2 4.13Å; K153-L155 HydrophobicContact CD-CG 4.4Å; K153-L155 HydrophobicContact CG-CD2 4.3Å; K153-L155 HydrophobicContact CG-CG 4.3Å; K153-E171 HydrophobicContact CD-CB 4.26Å; K153-E171 HydrophobicContact CD-CG 3.91Å; K153-E171 WeakPolarHBondContact CD-OE2 3.34Å; K153-E171 WeakPolarHBondContact CE-OE2 3.23Å; K153-E171 IonicContact NZ-OE1 3.33Å; K153-E171 PolarHBondContact NZ-OE1 3.07Å; K153-E171 VanDerWaalsContact NZ-OE1 3.08Å; K153-E171 IonicContact NZ-OE2 3.17Å; K153-E171 PolarHBondContact NZ-OE2 3.19Å
154Y98.8Very high97.9Very high6 Ų652.4 Ų52.42%0.02428%0.282CS..EExtended strand (participates in β ladder)trans-113.8129.9163.3177.2-127.9000109.1F82 L112 Y139 G142 L143 A146 E156F82-Y154 AromaticContact CE1-CE2 3.81Å; F82-Y154 HydrophobicContact CE1-CE2 3.81Å; F82-Y154 AromaticContact CZ-CE2 3.89Å; F82-Y154 HydrophobicContact CZ-CE2 3.89Å; L112-Y154 HydrophobicContact CB-CD2 4.11Å; L112-Y154 HydrophobicContact CD2-CD2 3.87Å; L112-Y154 HydrophobicContact CD2-CE2 4.32Å; L112-Y154 HydrophobicContact CG-CD2 3.86Å; L112-Y154 HydrophobicContact CG-CE2 4.3Å; L112-Y154 WeakPolarHBondContact O-CA 3.32Å; L112-Y154 WeakPolarHBondContact O-CD2 3.39Å; Y139-Y154 HydrophobicContact CD2-CD1 4.23Å; Y139-Y154 AromaticContact CD2-CE1 3.72Å; Y139-Y154 HydrophobicContact CD2-CE1 3.72Å; Y139-Y154 AromaticContact CE2-CD1 3.88Å; Y139-Y154 HydrophobicContact CE2-CD1 3.88Å; Y139-Y154 AromaticContact CE2-CE1 3.82Å; Y139-Y154 HydrophobicContact CE2-CE1 3.82Å; Y139-Y154 HydrophobicContact CG-CE1 4.28Å; G142-Y154 VanDerWaalsContact CA-CZ 3.49Å; L143-Y154 HydrophobicContact CD2-CD1 4.03Å; L143-Y154 HydrophobicContact CG-CD1 4.05Å; A146-Y154 HydrophobicContact CB-CG 4.47Å; Y154-E156 HydrophobicContact CE1-CG 3.95Å; Y154-E156 HydrophobicContact CE2-CG 4.24Å; Y154-E156 VanDerWaalsContact OH-CG 3.3Å; Y154-E156 WeakPolarHBondContact OH-CG 3.47Å; Y154-E156 PolarHBondContact OH-OE1 3.34Å
155L98.8Very high97.8Very high22 Ų2249.9 Ų49.912%0.11526%0.26CS..EExtended strand (participates in β ladder)trans-136.5151.8178.6-62.7169.6000109.7I111 L112 V113 G114 K153 T167 V168 E171I111-L155 HydrophobicContact CG2-CD1 4.06Å; L112-L155 PolarHBondContact O-N 2.93Å; V113-L155 CarbonylContact C-O 3.42Å; V113-L155 WeakPolarHBondContact CA-O 3.38Å; G114-L155 PolarHBondContact N-O 3.18Å; K153-L155 HydrophobicContact CD-CD1 4.49Å; K153-L155 HydrophobicContact CD-CD2 4.13Å; K153-L155 HydrophobicContact CD-CG 4.4Å; K153-L155 HydrophobicContact CG-CD2 4.3Å; K153-L155 HydrophobicContact CG-CG 4.3Å; L155-T167 HydrophobicContact CD1-CG2 4.48Å; L155-T167 HydrophobicContact CD2-CG2 4.13Å; L155-V168 HydrophobicContact CB-CG2 3.99Å; L155-V168 HydrophobicContact CD1-CG2 4.26Å; L155-E171 HydrophobicContact CD1-CB 3.7Å; L155-E171 HydrophobicContact CD1-CG 3.84Å
156E98.8Very high97.7Very high28 Ų2855.4 Ų55.413%0.13128%0.284CS..EExtended strand (participates in β ladder)trans-122.4143.7174.7-65.4176.817400109.7L84 G114 L117 R120 Y139 Y154L84-E156 HydrophobicContact CD1-CB 4.26Å; L84-E156 HydrophobicContact CD1-CG 4.15Å; L84-E156 HydrophobicContact CD2-CG 4.32Å; G114-E156 CarbonylContact O-C 3.56Å; G114-E156 WeakPolarHBondContact O-CA 3.41Å; L117-E156 HydrophobicContact CD1-CB 4.42Å; L117-E156 WeakPolarHBondContact CD1-OE2 3.05Å; L117-E156 HydrophobicContact CD2-CB 4.29Å; R120-E156 IonicContact CZ-OE1 3.25Å; R120-E156 IonicContact CZ-OE2 2.97Å; R120-E156 IonicContact NH1-OE1 2.93Å; R120-E156 IonicContact NH1-OE2 2.82Å; R120-E156 PolarHBondContact NH1-OE2 3.36Å; R120-E156 IonicContact NH2-OE1 2.69Å; R120-E156 PolarHBondContact NH2-OE1 2.93Å; R120-E156 IonicContact NH2-OE2 2.92Å; R120-E156 PolarHBondContact NH2-OE2 2.65Å; R120-E156 VanDerWaalsContact NH2-OE2 3.17Å; Y139-E156 WeakPolarHBondContact CA-OE1 3.31Å; Y139-E156 HydrophobicContact CD2-CG 4.25Å; Y139-E156 WeakPolarHBondContact CD2-OE1 3.49Å; Y154-E156 HydrophobicContact CE1-CG 3.95Å; Y154-E156 HydrophobicContact CE2-CG 4.24Å; Y154-E156 VanDerWaalsContact OH-CG 3.3Å; Y154-E156 WeakPolarHBondContact OH-CG 3.47Å; Y154-E156 PolarHBondContact OH-OE1 3.34Å
157C98.7Very high97.6Very high0 Ų058.1 Ų58.10%030%0.3CS..  trans-150.6161.7-179.763.90000113L19 G114 T115 K116 L117 R163 V168L19-C157 WeakPolarHBondContact CD1-SG 3.43Å; G114-C157 PolarHBondContact O-N 3.16Å; T115-C157 CarbonylContact C-O 3.54Å; T115-C157 WeakPolarHBondContact CA-O 3.43Å; K116-C157 PolarHBondContact N-O 3.27Å; K116-C157 VanDerWaalsContact N-O 3.12Å; L117-C157 WeakPolarHBondContact CB-O 3.22Å; L117-C157 PolarHBondContact N-O 3.41Å; L117-C157 VanDerWaalsContact N-O 3.09Å; C157-R163 CarbonylContact C-O 3.57Å; C157-R163 WeakPolarHBondContact CA-O 3.41Å; C157-R163 WeakPolarHBondContact CB-O 3.35Å; C157-V168 HydrophobicContact CB-CG2 4.09Å
158S98.4Very high97.6Very high1 Ų149.3 Ų49.31%0.00726%0.262CS..  trans-121.2119.6168.6167.60000107.9D118 L160 T161 Q162 R163D118-S158 VanDerWaalsContact CG-OG 3.23Å; D118-S158 WeakPolarHBondContact OD1-CB 3.25Å; D118-S158 PolarHBondContact OD1-OG 3Å; S158-L160 VanDerWaalsContact C-N 3.27Å; S158-L160 PolarHBondContact OG-N 2.66Å; S158-T161 WeakPolarHBondContact CB-OG1 3.32Å; S158-T161 PolarHBondContact OG-N 2.88Å; S158-T161 PolarHBondContact OG-OG1 2.69Å; S158-Q162 CarbonylContact O-C 3.59Å; S158-Q162 WeakPolarHBondContact O-CA 3.31Å; S158-Q162 PolarHBondContact O-N 2.88Å; S158-R163 PolarHBondContact N-O 3.04Å; S158-R163 PolarHBondContact O-N 3.08Å
159A97.3Very high97.6Very high12 Ų1244 Ų4410%0.09924%0.237CC..THydrogen-bonded Turntrans-69.5-29.5172.400000111.5C18 S22 F28C18-A159 HydrophobicContact CB-CB 4.02Å; S22-A159 PolarHBondContact OG-O 2.96Å; F28-A159 HydrophobicContact CD2-CB 4.05Å; F28-A159 WeakPolarHBondContact CD2-O 3.22Å; F28-A159 HydrophobicContact CE2-CB 3.96Å
160L95.9Very high97.6Very high92 Ų9244.6 Ų44.648%0.48224%0.24SC..THydrogen-bonded Turntrans-68.3-50.4-179.6178.462.1000111.7F28 S158F28-L160 HydrophobicContact CB-CD1 4.26Å; F28-L160 HydrophobicContact CD1-CD1 3.87Å; F28-L160 VanDerWaalsContact CD2-CA 3.44Å; F28-L160 HydrophobicContact CD2-CB 4.07Å; F28-L160 HydrophobicContact CD2-CD1 4.29Å; F28-L160 HydrophobicContact CE1-CD1 4.26Å; F28-L160 HydrophobicContact CE2-CB 4.11Å; F28-L160 HydrophobicContact CG-CB 4.5Å; F28-L160 HydrophobicContact CG-CD1 3.87Å; S158-L160 VanDerWaalsContact C-N 3.27Å; S158-L160 PolarHBondContact OG-N 2.66Å
161T96.6Very high97.7Very high86 Ų8643.8 Ų43.853%0.52822%0.223SC..THydrogen-bonded Turntrans-92.7-3.2-179.464.40000113.1D118 S158 R163D118-T161 HydrophobicContact CB-CG2 4.08Å; S158-T161 WeakPolarHBondContact CB-OG1 3.32Å; S158-T161 PolarHBondContact OG-N 2.88Å; S158-T161 PolarHBondContact OG-OG1 2.69Å; T161-R163 PolarHBondContact O-N 3.22Å; T161-R163 WeakPolarHBondContact OG1-CB 3.39Å
162Q96.3Very high97.7Very high80 Ų8042.9 Ų42.937%0.37422%0.217SC..  trans59.95.2-173.8-55.8175.216.300114.9N26 S158 G164 L165N26-Q162 VanDerWaalsContact C-NE2 3.3Å; N26-Q162 PolarHBondContact O-NE2 3.47Å; S158-Q162 CarbonylContact O-C 3.59Å; S158-Q162 WeakPolarHBondContact O-CA 3.31Å; S158-Q162 PolarHBondContact O-N 2.88Å; Q162-G164 PolarHBondContact O-N 3.11Å; Q162-L165 HydrophobicContact CB-CD2 4.45Å; Q162-L165 HydrophobicContact CG-CD2 4.4Å; Q162-L165 VanDerWaalsContact O-CB 3.31Å; Q162-L165 WeakPolarHBondContact O-CB 3.45Å; Q162-L165 PolarHBondContact O-N 3.41Å
163R98.2Very high97.7Very high167 Ų16740 Ų4063%0.6320%0.2SC*.THydrogen-bonded Turntrans-60.1125.7177.2-175178.1176-167.5-0.6110.2L117 C157 S158 T161 L165L117-R163 HydrophobicContact CD2-CG 4.35Å; C157-R163 CarbonylContact C-O 3.57Å; C157-R163 WeakPolarHBondContact CA-O 3.41Å; C157-R163 WeakPolarHBondContact CB-O 3.35Å; S158-R163 PolarHBondContact N-O 3.04Å; S158-R163 PolarHBondContact O-N 3.08Å; T161-R163 PolarHBondContact O-N 3.22Å; T161-R163 WeakPolarHBondContact OG1-CB 3.39Å; R163-L165 PolarHBondContact O-N 2.76Å
164G97.8Very high97.6Very high25 Ų2539.3 Ų39.326%0.25820%0.195SC..THydrogen-bonded Turntrans75.5-5.4177.800000115.2Q162 T167 V168Q162-G164 PolarHBondContact O-N 3.11Å; G164-T167 WeakPolarHBondContact O-CB 3.29Å; G164-T167 PolarHBondContact O-N 3.45Å; G164-V168 PolarHBondContact O-N 3.09Å; G164-V168 VanDerWaalsContact O-N 3.15Å
165L96.2Very high97.5Very high7 Ų739.2 Ų39.24%0.03720%0.196CC..Hα-helixtrans-62.5-52.2-171.8-171.561.5000112.3L19 S22 Y23 Q162 R163 T167 V168 F169L19-L165 HydrophobicContact CD1-CD1 3.24Å; L19-L165 HydrophobicContact CG-CD1 3.82Å; S22-L165 WeakPolarHBondContact OG-CD2 3.21Å; Y23-L165 HydrophobicContact CD2-CG 4.45Å; Q162-L165 HydrophobicContact CB-CD2 4.45Å; Q162-L165 HydrophobicContact CG-CD2 4.4Å; Q162-L165 VanDerWaalsContact O-CB 3.31Å; Q162-L165 WeakPolarHBondContact O-CB 3.45Å; Q162-L165 PolarHBondContact O-N 3.41Å; R163-L165 PolarHBondContact O-N 2.76Å; L165-T167 VanDerWaalsContact C-N 3.26Å; L165-T167 PolarHBondContact O-N 3.32Å; L165-V168 WeakPolarHBondContact O-CB 3.46Å; L165-V168 PolarHBondContact O-N 2.8Å; L165-F169 HydrophobicContact CD1-CE2 3.85Å; L165-F169 HydrophobicContact CG-CE2 4.33Å; L165-F169 VanDerWaalsContact O-CD2 3.29Å; L165-F169 WeakPolarHBondContact O-CD2 3.31Å
166K96Very high97.4Very high120 Ų12039.6 Ų39.652%0.52220%0.199SC..Hα-helixtrans-56.8-41.5176.2-171.7-172.4-172.6-520112V168 F169 D170K166-V168 VanDerWaalsContact C-N 3.3Å; K166-V168 PolarHBondContact O-N 2.89Å; K166-F169 PolarHBondContact O-N 3.31Å; K166-D170 IonicContact NZ-OD1 2.7Å; K166-D170 PolarHBondContact NZ-OD1 3.03Å; K166-D170 IonicContact NZ-OD2 2.8Å; K166-D170 PolarHBondContact NZ-OD2 2.97Å; K166-D170 WeakPolarHBondContact O-CB 3.47Å; K166-D170 PolarHBondContact O-N 3.05Å
167T98Very high97.1Very high65 Ų6539.6 Ų39.640%0.39920%0.199SC..Hα-helixtrans-62.5-37-178.9-51.10000112L155 G164 L165 F169 E171L155-T167 HydrophobicContact CD1-CG2 4.48Å; L155-T167 HydrophobicContact CD2-CG2 4.13Å; G164-T167 WeakPolarHBondContact O-CB 3.29Å; G164-T167 PolarHBondContact O-N 3.45Å; L165-T167 VanDerWaalsContact C-N 3.26Å; L165-T167 PolarHBondContact O-N 3.32Å; T167-F169 PolarHBondContact O-N 2.91Å; T167-E171 HydrophobicContact CG2-CG 4.14Å; T167-E171 WeakPolarHBondContact O-CB 3.18Å; T167-E171 WeakPolarHBondContact O-CG 3.04Å; T167-E171 PolarHBondContact O-N 3.18Å
168V98.5Very high96.7Very high0 Ų043.4 Ų43.40%023%0.225CC..Hα-helixtrans-56.7-49.9175.7170.90000111.2L79 V113 L155 C157 G164 L165 K166 A172L79-V168 HydrophobicContact CD1-CG1 3.83Å; L79-V168 HydrophobicContact CD2-CG1 4.18Å; V113-V168 HydrophobicContact CG1-CG1 4.36Å; V113-V168 HydrophobicContact CG1-CG2 4.07Å; V113-V168 HydrophobicContact CG2-CG1 3.86Å; L155-V168 HydrophobicContact CB-CG2 3.99Å; L155-V168 HydrophobicContact CD1-CG2 4.26Å; C157-V168 HydrophobicContact CB-CG2 4.09Å; G164-V168 PolarHBondContact O-N 3.09Å; G164-V168 VanDerWaalsContact O-N 3.15Å; L165-V168 WeakPolarHBondContact O-CB 3.46Å; L165-V168 PolarHBondContact O-N 2.8Å; K166-V168 VanDerWaalsContact C-N 3.3Å; K166-V168 PolarHBondContact O-N 2.89Å; V168-A172 WeakPolarHBondContact O-CB 3.48Å; V168-A172 PolarHBondContact O-N 3.38Å
169F97.9Very high95.8Very high0 Ų047.8 Ų47.80%025%0.254CS..Hα-helixtrans-77.7-36-176.4-64.1-76.3000113.1L19 L20 Y23 L53 L55 L79 L165 K166 T167 E171 A172 I173L19-F169 HydrophobicContact CD2-CZ 4.01Å; L19-F169 HydrophobicContact CG-CE2 4.17Å; L19-F169 HydrophobicContact CG-CZ 3.97Å; L20-F169 HydrophobicContact CD2-CE1 3.91Å; L20-F169 HydrophobicContact CD2-CZ 3.87Å; Y23-F169 VanDerWaalsContact CB-CE2 3.43Å; Y23-F169 HydrophobicContact CD1-CD1 4.29Å; Y23-F169 AromaticContact CD1-CD2 3.79Å; Y23-F169 HydrophobicContact CD1-CD2 3.79Å; Y23-F169 HydrophobicContact CD1-CE1 4.35Å; Y23-F169 AromaticContact CD1-CE2 3.88Å; Y23-F169 HydrophobicContact CD1-CE2 3.88Å; Y23-F169 HydrophobicContact CD1-CG 4Å; Y23-F169 HydrophobicContact CD1-CZ 4.14Å; Y23-F169 HydrophobicContact CD2-CB 4.35Å; Y23-F169 AromaticContact CD2-CD2 3.24Å; Y23-F169 HydrophobicContact CD2-CD2 3.24Å; Y23-F169 AromaticContact CD2-CE2 3.71Å; Y23-F169 HydrophobicContact CD2-CE2 3.71Å; Y23-F169 AromaticContact CD2-CG 3.96Å; Y23-F169 HydrophobicContact CD2-CG 3.96Å; Y23-F169 HydrophobicContact CE1-CB 4.14Å; Y23-F169 HydrophobicContact CE1-CD1 4.22Å; Y23-F169 HydrophobicContact CE1-CD2 4.06Å; Y23-F169 AromaticContact CE1-CG 3.86Å; Y23-F169 HydrophobicContact CE1-CG 3.86Å; Y23-F169 HydrophobicContact CE2-CB 3.71Å; Y23-F169 AromaticContact CE2-CD2 3.53Å; Y23-F169 HydrophobicContact CE2-CD2 3.53Å; Y23-F169 HydrophobicContact CE2-CE2 4.4Å; Y23-F169 AromaticContact CE2-CG 3.81Å; Y23-F169 HydrophobicContact CE2-CG 3.81Å; Y23-F169 AromaticContact CG-CD2 3.36Å; Y23-F169 HydrophobicContact CG-CD2 3.36Å; Y23-F169 AromaticContact CG-CE2 3.38Å; Y23-F169 HydrophobicContact CG-CE2 3.38Å; Y23-F169 HydrophobicContact CG-CG 4.03Å; Y23-F169 HydrophobicContact CG-CZ 4.05Å; Y23-F169 AromaticContact CZ-CD2 3.91Å; Y23-F169 AromaticContact CZ-CG 3.74Å; L53-F169 HydrophobicContact CD2-CB 4.19Å; L53-F169 HydrophobicContact CD2-CD1 3.87Å; L53-F169 HydrophobicContact CD2-CG 4.37Å; L55-F169 HydrophobicContact CD2-CD1 3.92Å; L55-F169 HydrophobicContact CD2-CE1 3.58Å; L79-F169 HydrophobicContact CD1-CD1 4.41Å; L79-F169 HydrophobicContact CD1-CE1 3.88Å; L79-F169 HydrophobicContact CD1-CZ 4.39Å; L165-F169 HydrophobicContact CD1-CE2 3.85Å; L165-F169 HydrophobicContact CG-CE2 4.33Å; L165-F169 VanDerWaalsContact O-CD2 3.29Å; L165-F169 WeakPolarHBondContact O-CD2 3.31Å; K166-F169 PolarHBondContact O-N 3.31Å; T167-F169 PolarHBondContact O-N 2.91Å; F169-E171 VanDerWaalsContact C-N 3.3Å; F169-E171 PolarHBondContact O-N 3.2Å; F169-A172 PolarHBondContact O-N 2.85Å; F169-I173 WeakPolarHBondContact O-CB 3.46Å; F169-I173 WeakPolarHBondContact O-CG1 3.34Å; F169-I173 PolarHBondContact O-N 3.24Å
170D97.6Very high94.5Very high17 Ų1750.5 Ų50.59%0.09127%0.27CS..Hα-helixtrans-57.5-44.8172-76.70.4000110.8K166 I173 R174K166-D170 IonicContact NZ-OD1 2.7Å; K166-D170 PolarHBondContact NZ-OD1 3.03Å; K166-D170 IonicContact NZ-OD2 2.8Å; K166-D170 PolarHBondContact NZ-OD2 2.97Å; K166-D170 WeakPolarHBondContact O-CB 3.47Å; K166-D170 PolarHBondContact O-N 3.05Å; D170-I173 PolarHBondContact O-N 3.06Å; D170-R174 WeakPolarHBondContact O-CB 3.31Å; D170-R174 WeakPolarHBondContact O-CG 3.33Å; D170-R174 PolarHBondContact O-N 2.75Å
171E98.1Very high93.2Very high31 Ų3152.1 Ų52.115%0.14529%0.286CS..Hα-helixtrans-73-33.4-179.7-68-66.9148.700112.9K153 L155 T167 F169 I173 R174 A175K153-E171 HydrophobicContact CD-CB 4.26Å; K153-E171 HydrophobicContact CD-CG 3.91Å; K153-E171 WeakPolarHBondContact CD-OE2 3.34Å; K153-E171 WeakPolarHBondContact CE-OE2 3.23Å; K153-E171 IonicContact NZ-OE1 3.33Å; K153-E171 PolarHBondContact NZ-OE1 3.07Å; K153-E171 VanDerWaalsContact NZ-OE1 3.08Å; K153-E171 IonicContact NZ-OE2 3.17Å; K153-E171 PolarHBondContact NZ-OE2 3.19Å; L155-E171 HydrophobicContact CD1-CB 3.7Å; L155-E171 HydrophobicContact CD1-CG 3.84Å; T167-E171 HydrophobicContact CG2-CG 4.14Å; T167-E171 WeakPolarHBondContact O-CB 3.18Å; T167-E171 WeakPolarHBondContact O-CG 3.04Å; T167-E171 PolarHBondContact O-N 3.18Å; F169-E171 VanDerWaalsContact C-N 3.3Å; F169-E171 PolarHBondContact O-N 3.2Å; E171-I173 VanDerWaalsContact C-N 3.35Å; E171-R174 PolarHBondContact O-N 3.11Å; E171-R174 IonicContact OE1-CZ 2.84Å; E171-R174 IonicContact OE1-NH1 2.66Å; E171-R174 PolarHBondContact OE1-NH1 3.08Å; E171-A175 WeakPolarHBondContact O-CB 3.36Å; E171-A175 PolarHBondContact O-N 2.86Å
172A97.9Very high91.6Very high0 Ų054.3 Ų54.30%030%0.299CS..Hα-helixtrans-62.4-43.7171.100000111.3V77 L79 I111 V168 F169 A175V77-A172 HydrophobicContact CG1-CB 4.13Å; V77-A172 HydrophobicContact CG2-CB 4.14Å; L79-A172 HydrophobicContact CD2-CB 3.97Å; I111-A172 HydrophobicContact CG1-CB 4.21Å; V168-A172 WeakPolarHBondContact O-CB 3.48Å; V168-A172 PolarHBondContact O-N 3.38Å; F169-A172 PolarHBondContact O-N 2.85Å; A172-A175 PolarHBondContact O-N 3.12Å
173I97.5Very high89.8Confident0 Ų060 Ų600%032%0.323CS..Hα-helixtrans-63.8-47174.6-71.2166.7000110.6I4 V44 V46 V51 L53 F169 D170 E171 A175 V176 L177I4-I173 HydrophobicContact CD1-CB 4.4Å; I4-I173 HydrophobicContact CD1-CG1 4.34Å; I4-I173 HydrophobicContact CD1-CG2 3.94Å; V44-I173 HydrophobicContact CG2-CD1 3.54Å; V46-I173 HydrophobicContact CB-CG2 3.83Å; V46-I173 HydrophobicContact CG1-CB 4.43Å; V46-I173 HydrophobicContact CG1-CG2 3.95Å; V46-I173 HydrophobicContact CG2-CB 4.21Å; V46-I173 HydrophobicContact CG2-CD1 3.61Å; V46-I173 HydrophobicContact CG2-CG2 3.93Å; V51-I173 HydrophobicContact CG1-CD1 4.15Å; V51-I173 HydrophobicContact CG1-CG1 4.3Å; V51-I173 HydrophobicContact CG1-CG2 4.43Å; V51-I173 HydrophobicContact CG2-CG2 3.97Å; L53-I173 HydrophobicContact CB-CD1 4.41Å; L53-I173 HydrophobicContact CD1-CD1 4.46Å; L53-I173 HydrophobicContact CD1-CG1 4.1Å; L53-I173 HydrophobicContact CD2-CD1 4.06Å; L53-I173 HydrophobicContact CD2-CG1 4.4Å; F169-I173 WeakPolarHBondContact O-CB 3.46Å; F169-I173 WeakPolarHBondContact O-CG1 3.34Å; F169-I173 PolarHBondContact O-N 3.24Å; D170-I173 PolarHBondContact O-N 3.06Å; E171-I173 VanDerWaalsContact C-N 3.35Å; I173-A175 VanDerWaalsContact C-N 3.27Å; I173-A175 PolarHBondContact O-N 2.75Å; I173-V176 PolarHBondContact O-N 3.21Å; I173-L177 HydrophobicContact CG2-CD1 3.54Å; I173-L177 HydrophobicContact CG2-CG 3.95Å; I173-L177 WeakPolarHBondContact O-CG 3.47Å; I173-L177 PolarHBondContact O-N 2.75Å
174R96.9Very high87.5Confident66 Ų6661.3 Ų61.325%0.24933%0.333CS..Hα-helixtrans-58.9-37.7177.4-76.7179.4-172.7117.113.6112.6V46 D47 D170 E171 V176 L177 C178V46-R174 HydrophobicContact CG1-CG 4.06Å; D47-R174 IonicContact OD1-CZ 2.78Å; D47-R174 IonicContact OD1-NE 3.08Å; D47-R174 PolarHBondContact OD1-NE 3Å; D47-R174 IonicContact OD1-NH2 2.65Å; D47-R174 PolarHBondContact OD1-NH2 3.22Å; D47-R174 WeakPolarHBondContact OD2-CD 3.39Å; D47-R174 WeakPolarHBondContact OD2-CG 3.43Å; D47-R174 IonicContact OD2-CZ 3.86Å; D47-R174 IonicContact OD2-NE 3.53Å; D47-R174 PolarHBondContact OD2-NE 2.91Å; D47-R174 IonicContact OD2-NH2 3.47Å; D170-R174 WeakPolarHBondContact O-CB 3.31Å; D170-R174 WeakPolarHBondContact O-CG 3.33Å; D170-R174 PolarHBondContact O-N 2.75Å; E171-R174 PolarHBondContact O-N 3.11Å; E171-R174 IonicContact OE1-CZ 2.84Å; E171-R174 IonicContact OE1-NH1 2.66Å; E171-R174 PolarHBondContact OE1-NH1 3.08Å; R174-V176 PolarHBondContact O-N 2.9Å; R174-L177 PolarHBondContact O-N 2.87Å; R174-C178 CarbonylContact O-C 3.39Å; R174-C178 WeakPolarHBondContact O-CA 3.27Å; R174-C178 PolarHBondContact O-N 2.81Å
175A96.3Very high85.5Confident5 Ų570 Ų704%0.04136%0.363CS..Hα-helixtrans-60.5-26177.500000113.1P109 I111 V152 E171 A172 I173P109-A175 HydrophobicContact CB-CB 4.15Å; P109-A175 HydrophobicContact CG-CB 4.48Å; I111-A175 HydrophobicContact CD1-CB 4.32Å; V152-A175 HydrophobicContact CB-CB 4.43Å; V152-A175 HydrophobicContact CG1-CB 4.02Å; V152-A175 HydrophobicContact CG2-CB 4.38Å; E171-A175 WeakPolarHBondContact O-CB 3.36Å; E171-A175 PolarHBondContact O-N 2.86Å; A172-A175 PolarHBondContact O-N 3.12Å; I173-A175 VanDerWaalsContact C-N 3.27Å; I173-A175 PolarHBondContact O-N 2.75Å
176V95.9Very high83.2Confident30 Ų3072.9 Ų72.918%0.18240%0.395CS..Hα-helixtrans-89.4-44.8175.8-178.80000111.4I4 D76 V77 I173 R174I4-V176 HydrophobicContact CD1-CB 4.04Å; I4-V176 HydrophobicContact CD1-CG1 4.04Å; I4-V176 HydrophobicContact CG1-CG1 4.24Å; I4-V176 HydrophobicContact CG2-CG2 4.1Å; D76-V176 HydrophobicContact CB-CG1 4.08Å; D76-V176 HydrophobicContact CB-CG2 3.89Å; D76-V176 WeakPolarHBondContact O-CG2 3.36Å; V77-V176 HydrophobicContact CB-CG2 3.8Å; V77-V176 HydrophobicContact CG1-CG2 4.08Å; I173-V176 PolarHBondContact O-N 3.21Å; R174-V176 PolarHBondContact O-N 2.9Å
177L93.4Very high81Confident27 Ų2777 Ų7714%0.14141%0.413CS..Hα-helixtrans-72.9-29.7-176.4-63.3-175.2000113.6Q2 I4 K49 V51 I173 R174Q2-L177 VanDerWaalsContact CD-CD2 3.46Å; I4-L177 HydrophobicContact CD1-CD2 4.06Å; I4-L177 HydrophobicContact CD1-CG 4.24Å; K49-L177 HydrophobicContact CB-CD1 4.41Å; K49-L177 HydrophobicContact CD-CD1 4.02Å; V51-L177 HydrophobicContact CG2-CD1 4.12Å; I173-L177 HydrophobicContact CG2-CD1 3.54Å; I173-L177 HydrophobicContact CG2-CG 3.95Å; I173-L177 WeakPolarHBondContact O-CG 3.47Å; I173-L177 PolarHBondContact O-N 2.75Å; R174-L177 PolarHBondContact O-N 2.87Å
178C89Confident78.7Confident80 Ų8083.5 Ų83.554%0.54144%0.436SS..SBendtrans-133.868-175.9-630000108.9R174R174-C178 CarbonylContact O-C 3.39Å; R174-C178 WeakPolarHBondContact O-CA 3.27Å; R174-C178 PolarHBondContact O-N 2.81Å
179P79.9Confident76.4Confident94 Ų9489 Ų8961%0.6147%0.473SS*.PPolyproline II helixtrans-61.9135.8-172.424.5-33.1000110.8
180P70.6Confident74.6Confident69 Ų6994 Ų9445%0.44851%0.508SS..PPolyproline II helixtrans-61.7148176.923.5-30.9000110.4V152 V182V152-P180 HydrophobicContact CG1-CG 4.44Å; V152-P180 HydrophobicContact CG2-CG 4.17Å; P180-V182 PolarHBondContact O-N 2.88Å
181P68.1Low72.5Confident125 Ų125101 Ų10181%0.81254%0.544SS*.PPolyproline II helixtrans-57.8125.4-179.220.6-30.4000110.6K183P181-K183 PolarHBondContact O-N 3.22Å; P181-K183 VanDerWaalsContact O-N 3.11Å
182V62.5Low70.3Confident133 Ų133110.8 Ų110.881%0.80660%0.597SS**  trans-62.5115-179.7-175.70000108.9P180 K184P180-V182 PolarHBondContact O-N 2.88Å; V182-K184 PolarHBondContact O-N 2.9Å
183K58.5Low68.9Low199 Ų199116.4 Ų116.487%0.86563%0.626SS**  trans-6599.8169.8-71-174.4-179.1178.90108.3P181 K185P181-K183 PolarHBondContact O-N 3.22Å; P181-K183 VanDerWaalsContact O-N 3.11Å; K183-K185 PolarHBondContact O-N 3.31Å; K183-K185 VanDerWaalsContact O-N 3.12Å
184K50.8Low67.4Low195 Ų195122.5 Ų122.585%0.84866%0.659SS**  trans-57.3118171.7-71.4-175.8179.5177.90108.1V182 G186V182-K184 PolarHBondContact O-N 2.9Å; K184-G186 PolarHBondContact O-N 2.87Å
185K55.9Low65.7Low206 Ų206125.6 Ų125.690%0.89668%0.682SS**  trans-58.5113.7167.8-76.6-176.2177177.70106.8K183 K187K183-K185 PolarHBondContact O-N 3.31Å; K183-K185 VanDerWaalsContact O-N 3.12Å; K185-K187 PolarHBondContact O-N 2.9Å
186G47.9Very low63.9Low68 Ų68132.7 Ų132.770%0.70172%0.72SS**  trans-53.9127.5175.900000109.1K184 K188K184-G186 PolarHBondContact O-N 2.87Å; G186-K188 PolarHBondContact O-N 2.88Å; G186-K188 VanDerWaalsContact O-N 3.1Å
187K49.8Very low61.9Low206 Ų206139.1 Ų139.190%0.89675%0.754SS**  trans-55.9119.7170.9-71.7-176.1176.5-176.60106.5K185 C189K185-K187 PolarHBondContact O-N 2.9Å; K187-C189 PolarHBondContact O-N 2.9Å
188K49.7Very low59.8Low202 Ų202146.6 Ų146.688%0.87879%0.794SS**  trans-57.9113166.7-77.9-173.3175.8-175.80106G186 S190G186-K188 PolarHBondContact O-N 2.88Å; G186-K188 VanDerWaalsContact O-N 3.1Å; K188-S190 PolarHBondContact O-N 2.91Å
189C49.3Very low57.7Low117 Ų117151.4 Ų151.479%0.79181%0.813SS**  trans-69.1101.2172.7-150.10000105.9K187 L191K187-C189 PolarHBondContact O-N 2.9Å; C189-L191 PolarHBondContact O-N 2.88Å
190S60.8Low56Low103 Ų103155.8 Ų155.872%0.7283%0.828SS**  trans-78.897.8166.148.90000106.7K188 L192K188-S190 PolarHBondContact O-N 2.91Å; S190-L192 PolarHBondContact O-N 3.41Å
191L53.2Low54.8Low164 Ų164163 Ų16386%0.85986%0.86SS**  trans-69.5110.2162.3-71.3164.6000106.2C189C189-L191 PolarHBondContact O-N 2.88Å
192L51.4Low53.6Low238 Ų238166.5 Ų166.5100%1.24686%0.864SS**  trans-86.70161.1-83.4163.9000108.2S190S190-L192 PolarHBondContact O-N 3.41Å

Retrieved 192 of 192 residues in 135.9 ms (Link to these results)

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