A0A096MWJ9_PAPAN Loading...

Rho-related GTP-binding protein RhoG

Plays a role in immunological synaptic F-actin density and architecture organization. Regulates actin reorganization in lymphocytes, possibly through the modulation of Rac1 activity. Required for the formation of membrane ruffles during macropinocytosis. Plays a role in cell migration and is required for the formation of cup-like structures during trans-endothelial migration of leukocytes. Binds phospholipids in an activation-dependent manner; thereby acting as an anchor for other proteins to the plasma membrane (PM). Plays a role in exocytosis of cytotoxic granules (CG) by lymphocytes/Component of the exocytosis machinery in natural killer (NK) and CD8+ T cells. Promotes the docking of cytotoxic granules (CG) to the plasma membrane through the interaction with UNC13D. Involved in the cytotoxic activity of lymphocytes/primary CD8+ T cells.

AlphaFold DB (A0A6P3RL04), UniProt , Accession A0A096MWJ9, Species PAPAN (Papio anubis, Olive baboon), Gene RHOG, Length 191 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
1M70.6Confident95Very high139 Ų13932.5 Ų32.569%0.68517%0.17SC*.  0125.60-165.8161.684.100107.3Q43 T50 N52M1-Q43 HydrophobicContact CE-CG 4.05Å; M1-T50 HydrophobicContact SD-CG2 4.06Å; M1-N52 HydrophobicContact CE-CB 3.69Å
2Q91.1Very high95Very high100 Ų10032.4 Ų32.447%0.46718%0.183SC..EExtended strand (participates in β ladder)trans-67133-178.6-179.9176.6-2.300109.6I4 V51 N52Q2-I4 HydrophobicContact CG-CG1 4.49Å; Q2-V51 HydrophobicContact CB-CG1 4.33Å; Q2-V51 CarbonylContact O-C 3.59Å; Q2-V51 WeakPolarHBondContact O-CA 3.42Å; Q2-V51 WeakPolarHBondContact O-CB 3.43Å; Q2-N52 PolarHBondContact O-N 3.17Å
3S95.6Very high95.1Very high68 Ų6834.2 Ų34.248%0.47620%0.204SC..EExtended strand (participates in β ladder)trans-98.9133.9174.3-68.90000109.7N52S3-N52 CarbonylContact C-O 3.56Å; S3-N52 WeakPolarHBondContact CA-O 3.43Å
4I97.9Very high95.3Very high0 Ų031.9 Ų31.90%019%0.191CC..EExtended strand (participates in β ladder)trans-120.1122.7177.1-64-179.9000107.8Q2 V51 N52 L53 N54 N76 V77 V173 V176 L177Q2-I4 HydrophobicContact CG-CG1 4.49Å; I4-V51 HydrophobicContact CD1-CB 4.21Å; I4-V51 HydrophobicContact CD1-CG1 4.05Å; I4-V51 HydrophobicContact CD1-CG2 4.1Å; I4-V51 HydrophobicContact CG1-CB 4.48Å; I4-N52 PolarHBondContact N-O 3.23Å; I4-L53 HydrophobicContact CB-CD1 4.06Å; I4-L53 HydrophobicContact CG2-CD1 3.82Å; I4-N54 PolarHBondContact O-N 3.25Å; I4-N76 WeakPolarHBondContact CA-OD1 3.5Å; I4-N76 HydrophobicContact CG2-CB 3.98Å; I4-V77 HydrophobicContact CG2-CG1 4.25Å; I4-V173 HydrophobicContact CD1-CB 4.39Å; I4-V173 HydrophobicContact CD1-CG1 3.96Å; I4-V173 HydrophobicContact CD1-CG2 4.33Å; I4-V176 HydrophobicContact CD1-CB 4.07Å; I4-V176 HydrophobicContact CD1-CG1 4.07Å; I4-V176 HydrophobicContact CG1-CG1 4.24Å; I4-V176 HydrophobicContact CG2-CB 4.48Å; I4-V176 HydrophobicContact CG2-CG2 4Å; I4-L177 HydrophobicContact CD1-CD2 4.19Å; I4-L177 HydrophobicContact CD1-CG 4.19Å
5K98.1Very high95.4Very high24 Ų2430.7 Ų30.710%0.10419%0.187CC..EExtended strand (participates in β ladder)trans-90.7118.1171.6176.8169.9172.5174.80109.8V7 W56 S71 P73 N76 V77K5-V7 HydrophobicContact CG-CG2 4.36Å; K5-W56 HydrophobicContact CD-CD2 4.48Å; K5-W56 HydrophobicContact CD-CZ2 4.34Å; K5-W56 VanDerWaalsContact CE-CE2 3.45Å; K5-W56 HydrophobicContact CG-CG 4.48Å; K5-S71 WeakPolarHBondContact CE-O 3.36Å; K5-S71 PolarHBondContact NZ-O 3.11Å; K5-P73 PolarHBondContact NZ-O 2.98Å; K5-N76 PolarHBondContact N-OD1 3.32Å; K5-N76 WeakPolarHBondContact O-CB 3.45Å; K5-N76 PolarHBondContact O-N 2.93Å; K5-V77 PolarHBondContact O-N 3.36Å
6C98.4Very high95.6Very high0 Ų029.4 Ų29.40%018%0.178CC..EExtended strand (participates in β ladder)trans-114.5120.7176.3174.80000109.2L53 N54 L55 W56 V77C6-L53 HydrophobicContact CB-CD1 3.79Å; C6-N54 PolarHBondContact N-O 2.96Å; C6-L55 HydrophobicContact CB-CD2 4.03Å; C6-L55 WeakPolarHBondContact O-CA 3.36Å; C6-W56 PolarHBondContact O-N 2.98Å; C6-V77 WeakPolarHBondContact CA-O 3.45Å; C6-V77 HydrophobicContact CB-CG1 3.75Å
7V98.6Very high95.6Very high0 Ų029.2 Ų29.20%018%0.177CC..EExtended strand (participates in β ladder)trans-105.9129.5177.5-179.70000109.5K5 V9 W56 T58 Y72 T75 V77 F78 V79K5-V7 HydrophobicContact CG-CG2 4.36Å; V7-V9 HydrophobicContact CG1-CG1 4.02Å; V7-W56 HydrophobicContact CB-CB 4.33Å; V7-W56 HydrophobicContact CG1-CB 4.37Å; V7-W56 HydrophobicContact CG2-CB 3.88Å; V7-W56 HydrophobicContact CG2-CG 4.12Å; V7-T58 HydrophobicContact CG1-CG2 3.86Å; V7-Y72 HydrophobicContact CG1-CD1 4.16Å; V7-Y72 HydrophobicContact CG1-CE1 4.07Å; V7-T75 HydrophobicContact CB-CG2 4.01Å; V7-T75 HydrophobicContact CG2-CG2 3.66Å; V7-T75 WeakPolarHBondContact CG2-OG1 3.48Å; V7-V77 PolarHBondContact N-O 2.72Å; V7-V77 VanDerWaalsContact N-O 3.11Å; V7-F78 HydrophobicContact CB-CD1 3.83Å; V7-F78 HydrophobicContact CB-CE1 3.7Å; V7-F78 HydrophobicContact CG1-CD1 4.13Å; V7-F78 HydrophobicContact CG1-CE1 3.82Å; V7-F78 HydrophobicContact CG2-CE1 4.37Å; V7-F78 WeakPolarHBondContact O-CA 3.22Å; V7-V79 PolarHBondContact O-N 3.01Å
8V98.6Very high95.7Very high0 Ų028.9 Ų28.90%018%0.176CC..EExtended strand (participates in β ladder)trans-105.7121.7-180-168.70000109.6K16 L20 W56 T58 V79V8-K16 HydrophobicContact CG1-CB 3.91Å; V8-K16 HydrophobicContact CG1-CD 4.11Å; V8-K16 HydrophobicContact CG1-CG 4.01Å; V8-L20 HydrophobicContact CB-CD1 4.37Å; V8-L20 HydrophobicContact CG2-CD1 4.08Å; V8-L20 HydrophobicContact CG2-CD2 3.81Å; V8-L20 HydrophobicContact CG2-CG 4.19Å; V8-W56 PolarHBondContact N-O 3.08Å; V8-T58 PolarHBondContact O-OG1 3.06Å; V8-V79 WeakPolarHBondContact CA-O 3.44Å; V8-V79 HydrophobicContact CG1-CB 4.28Å; V8-V79 HydrophobicContact CG1-CG1 4.25Å; V8-V79 HydrophobicContact CG2-CB 4.23Å
9V98.7Very high95.8Very high0 Ų027.4 Ų27.40%017%0.167CC..EExtended strand (participates in β ladder)trans-126.9169.2-179.5-56.50000110.8V7 K16 Y72 F78 V79 I80 C81 W97 V101V7-V9 HydrophobicContact CG1-CG1 4.02Å; V9-K16 VanDerWaalsContact C-CD 3.41Å; V9-K16 WeakPolarHBondContact O-CD 3.44Å; V9-Y72 HydrophobicContact CG1-CE1 3.97Å; V9-F78 HydrophobicContact CG1-CD1 4.44Å; V9-V79 PolarHBondContact N-O 3.03Å; V9-I80 HydrophobicContact CG2-CB 4.32Å; V9-I80 HydrophobicContact CG2-CG1 3.74Å; V9-I80 HydrophobicContact CG2-CG2 4.45Å; V9-C81 PolarHBondContact O-N 3.43Å; V9-W97 HydrophobicContact CB-CE3 3.76Å; V9-W97 HydrophobicContact CB-CZ3 3.96Å; V9-W97 HydrophobicContact CG2-CE3 4.02Å; V9-V101 HydrophobicContact CG2-CG2 3.96Å
10G98.6Very high95.8Very high0 Ų026.1 Ų26.10%016%0.159CC..EExtended strand (participates in β ladder)trans137.6167.1-174.200000111.7K16 G60 C81 W97G10-K16 PolarHBondContact O-NZ 2.82Å; G10-G60 WeakPolarHBondContact O-CA 3.24Å; G10-C81 WeakPolarHBondContact CA-O 3.36Å; G10-W97 WeakPolarHBondContact O-CH2 3.31Å; G10-W97 WeakPolarHBondContact O-CZ2 3.2Å
11D98.4Very high95.7Very high26 Ų2626.5 Ų26.514%0.13916%0.16CC..SBendtrans-52.7160-176-8015.5000113.5V14 K16 S89 N92 W97D11-V14 HydrophobicContact CB-CG1 3.58Å; D11-V14 VanDerWaalsContact O-CG2 3.27Å; D11-V14 WeakPolarHBondContact O-CG2 3.41Å; D11-K16 PolarHBondContact O-NZ 3.42Å; D11-S89 VanDerWaalsContact OD2-CA 3.26Å; D11-S89 WeakPolarHBondContact OD2-CA 3.42Å; D11-S89 WeakPolarHBondContact OD2-CB 3.38Å; D11-N92 WeakPolarHBondContact OD1-CB 3.33Å; D11-N92 PolarHBondContact OD1-ND2 2.97Å; D11-N92 PolarHBondContact OD2-ND2 2.96Å; D11-W97 PolarHBondContact OD1-NE1 2.99Å
12G95.7Very high96.9Very high32 Ų3220 Ų2033%0.3313%0.128SC..THydrogen-bonded Turntrans-53.5143.9167.500000111.7V14 G60G12-V14 PolarHBondContact O-N 2.97Å; G12-G60 PolarHBondContact N-O 3.26Å
13A95.6Very high97.1Very high55 Ų5516.6 Ų16.646%0.45511%0.111SC..THydrogen-bonded Turntrans57.911.2174.700000117.2G15 K116A13-G15 PolarHBondContact O-N 3.21Å; A13-K116 VanDerWaalsContact O-CE 3.31Å; A13-K116 WeakPolarHBondContact O-CE 3.42Å; A13-K116 PolarHBondContact O-NZ 3.02Å
14V98Very high97.1Very high3 Ų315.4 Ų15.42%0.01810%0.101CC..SBendtrans-71.4-14.5174.9-600000113.1D11 G12 K16 C81 T115 K116D11-V14 HydrophobicContact CB-CG1 3.58Å; D11-V14 VanDerWaalsContact O-CG2 3.27Å; D11-V14 WeakPolarHBondContact O-CG2 3.41Å; G12-V14 PolarHBondContact O-N 2.97Å; V14-K16 HydrophobicContact CG2-CD 4.42Å; V14-K16 HydrophobicContact CG2-CG 3.78Å; V14-C81 HydrophobicContact CG2-CB 3.93Å; V14-T115 WeakPolarHBondContact O-CB 3.38Å; V14-T115 PolarHBondContact O-OG1 3.24Å; V14-K116 VanDerWaalsContact O-CE 3.23Å; V14-K116 WeakPolarHBondContact O-CE 3.47Å
15G97.3Very high96.8Very high13 Ų1319 Ų1913%0.13412%0.124CC..SBendtrans104.924.7174.800000115.3A13 C18 L19A13-G15 PolarHBondContact O-N 3.21Å; G15-C18 PolarHBondContact O-N 3.19Å; G15-L19 WeakPolarHBondContact O-CB 3.29Å; G15-L19 PolarHBondContact O-N 3.15Å
16K97.9Very high96.4Very high10 Ų1022.1 Ų22.14%0.04314%0.141CC..Hα-helixtrans-56.3-53174.2-54.3-171.9-59.3-810111.8V8 V9 G10 D11 V14 C18 L19 L20 T58 C81V8-K16 HydrophobicContact CG1-CB 3.91Å; V8-K16 HydrophobicContact CG1-CD 4.11Å; V8-K16 HydrophobicContact CG1-CG 4.01Å; V9-K16 VanDerWaalsContact C-CD 3.41Å; V9-K16 WeakPolarHBondContact O-CD 3.44Å; G10-K16 PolarHBondContact O-NZ 2.82Å; D11-K16 PolarHBondContact O-NZ 3.42Å; V14-K16 HydrophobicContact CG2-CD 4.42Å; V14-K16 HydrophobicContact CG2-CG 3.78Å; K16-C18 PolarHBondContact O-N 3.43Å; K16-L19 WeakPolarHBondContact O-CB 3.38Å; K16-L19 PolarHBondContact O-N 3.12Å; K16-L19 VanDerWaalsContact O-N 3.17Å; K16-L20 WeakPolarHBondContact O-CG 3.43Å; K16-L20 PolarHBondContact O-N 3.34Å; K16-T58 WeakPolarHBondContact CE-O 3.46Å; K16-T58 PolarHBondContact NZ-O 2.94Å; K16-C81 HydrophobicContact CG-CB 3.97Å
17T96.7Very high95.9Very high26 Ų2624.5 Ų24.516%0.1616%0.161CC..Hα-helixtrans-61-44.9178.5-42.60000112.2L19 L20 I21 T35 D57T17-L19 VanDerWaalsContact C-N 3.32Å; T17-L19 PolarHBondContact O-N 3.03Å; T17-L20 PolarHBondContact O-N 3.3Å; T17-I21 HydrophobicContact CG2-CD1 3.79Å; T17-I21 HydrophobicContact CG2-CG1 4.4Å; T17-I21 WeakPolarHBondContact O-CB 3.26Å; T17-I21 WeakPolarHBondContact O-CG1 3.47Å; T17-I21 PolarHBondContact O-N 3.01Å; T17-T35 PolarHBondContact OG1-OG1 3.22Å; T17-D57 WeakPolarHBondContact CA-OD2 3.42Å; T17-D57 VanDerWaalsContact CB-OD2 3.24Å; T17-D57 WeakPolarHBondContact CB-OD2 3.37Å; T17-D57 VanDerWaalsContact CG2-OD2 3.32Å; T17-D57 WeakPolarHBondContact CG2-OD2 3.2Å; T17-D57 PolarHBondContact OG1-OD2 3.46Å
18C96.5Very high95.5Very high24 Ų2428.6 Ų28.616%0.16218%0.179CC..Hα-helixtrans-59.9-42.5175.3-60.50000111.9G15 K16 C22 F28 P29 A159G15-C18 PolarHBondContact O-N 3.19Å; K16-C18 PolarHBondContact O-N 3.43Å; C18-C22 WeakPolarHBondContact O-CB 3.3Å; C18-C22 PolarHBondContact O-N 3.3Å; C18-C22 PolarHBondContact O-SG 3.44Å; C18-F28 HydrophobicContact CB-CD2 4.48Å; C18-F28 HydrophobicContact CB-CE2 3.83Å; C18-F28 HydrophobicContact CB-CZ 4.41Å; C18-P29 HydrophobicContact CB-CG 4.4Å; C18-A159 HydrophobicContact CB-CB 3.93Å
19L97.7Very high94.9Very high1 Ų130 Ų301%0.00519%0.188CC..Hα-helixtrans-61.2-45.7177.4172.362.2000111.3G15 K16 T17 Y23 V113 V165 V168 F169G15-L19 WeakPolarHBondContact O-CB 3.29Å; G15-L19 PolarHBondContact O-N 3.15Å; K16-L19 WeakPolarHBondContact O-CB 3.38Å; K16-L19 PolarHBondContact O-N 3.12Å; K16-L19 VanDerWaalsContact O-N 3.17Å; T17-L19 VanDerWaalsContact C-N 3.32Å; T17-L19 PolarHBondContact O-N 3.03Å; L19-Y23 WeakPolarHBondContact O-CB 3.29Å; L19-Y23 PolarHBondContact O-N 3.04Å; L19-Y23 VanDerWaalsContact O-N 3.07Å; L19-V113 HydrophobicContact CD2-CG1 4.41Å; L19-V165 HydrophobicContact CD1-CB 4.34Å; L19-V165 HydrophobicContact CD1-CG1 4.02Å; L19-V165 HydrophobicContact CD1-CG2 4.12Å; L19-V168 HydrophobicContact CD2-CG1 4.29Å; L19-F169 HydrophobicContact CD1-CE2 3.84Å; L19-F169 HydrophobicContact CD1-CZ 4.34Å; L19-F169 HydrophobicContact CD2-CE2 4.41Å; L19-F169 HydrophobicContact CD2-CZ 4.12Å; L19-F169 HydrophobicContact CG-CE2 3.8Å; L19-F169 HydrophobicContact CG-CZ 3.81Å
20L96.4Very high94Very high0 Ų040.2 Ų40.20%023%0.232CC..Hα-helixtrans-65-51.1179-70.6176.6000112.4V8 K16 T17 C22 Y23 T24 Y40 L55 D57 F169V8-L20 HydrophobicContact CB-CD1 4.37Å; V8-L20 HydrophobicContact CG2-CD1 4.08Å; V8-L20 HydrophobicContact CG2-CD2 3.81Å; V8-L20 HydrophobicContact CG2-CG 4.19Å; K16-L20 WeakPolarHBondContact O-CG 3.43Å; K16-L20 PolarHBondContact O-N 3.34Å; T17-L20 PolarHBondContact O-N 3.3Å; L20-C22 PolarHBondContact O-N 3.31Å; L20-Y23 PolarHBondContact O-N 2.95Å; L20-T24 PolarHBondContact O-N 2.9Å; L20-T24 PolarHBondContact O-OG1 2.92Å; L20-Y40 HydrophobicContact CB-CD2 4.22Å; L20-Y40 HydrophobicContact CB-CE2 4.32Å; L20-Y40 HydrophobicContact CD1-CD2 4.36Å; L20-Y40 HydrophobicContact CD1-CE2 4.43Å; L20-L55 HydrophobicContact CD2-CB 3.73Å; L20-L55 HydrophobicContact CD2-CD1 3.89Å; L20-L55 HydrophobicContact CD2-CD2 3.78Å; L20-L55 HydrophobicContact CD2-CG 4.01Å; L20-D57 HydrophobicContact CD1-CB 3.38Å; L20-F169 HydrophobicContact CD2-CE1 3.89Å; L20-F169 HydrophobicContact CD2-CZ 3.61Å
21I94Very high93.2Very high36 Ų3647.7 Ų47.719%0.18527%0.268CS..Hα-helixtrans-61.2-44.7178.7-67.9174.4000110.8T17 Y23 T24 T25 P29 Y40T17-I21 HydrophobicContact CG2-CD1 3.79Å; T17-I21 HydrophobicContact CG2-CG1 4.4Å; T17-I21 WeakPolarHBondContact O-CB 3.26Å; T17-I21 WeakPolarHBondContact O-CG1 3.47Å; T17-I21 PolarHBondContact O-N 3.01Å; I21-Y23 VanDerWaalsContact C-N 3.29Å; I21-Y23 PolarHBondContact O-N 3.4Å; I21-T24 PolarHBondContact O-N 3.17Å; I21-T24 PolarHBondContact O-OG1 3.43Å; I21-T25 HydrophobicContact CG2-CG2 4.25Å; I21-T25 WeakPolarHBondContact O-CB 3.43Å; I21-T25 PolarHBondContact O-N 3.47Å; I21-T25 PolarHBondContact O-OG1 3.14Å; I21-P29 HydrophobicContact CD1-CB 4.19Å; I21-P29 HydrophobicContact CD1-CG 4.23Å; I21-P29 HydrophobicContact CG2-CB 4.36Å; I21-P29 HydrophobicContact CG2-CG 4.37Å; I21-Y40 HydrophobicContact CG1-CE1 4.4Å
22C95.4Very high92Very high3 Ų353 Ų532%0.0229%0.286CS..Hα-helixtrans-60.7-40.1177.4-79.90000111.9C18 L20 N26 A27 F28 A159 V165C18-C22 WeakPolarHBondContact O-CB 3.3Å; C18-C22 PolarHBondContact O-N 3.3Å; C18-C22 PolarHBondContact O-SG 3.44Å; L20-C22 PolarHBondContact O-N 3.31Å; C22-N26 WeakPolarHBondContact O-CA 3.44Å; C22-N26 PolarHBondContact O-N 2.91Å; C22-A27 WeakPolarHBondContact CA-O 3.38Å; C22-A27 PolarHBondContact SG-O 3.48Å; C22-A27 VanDerWaalsContact SG-O 3.35Å; C22-F28 VanDerWaalsContact SG-CA 3.54Å; C22-A159 HydrophobicContact CB-CB 4.3Å; C22-A159 PolarHBondContact SG-O 3.35Å; C22-V165 HydrophobicContact CB-CG1 4.23Å
23Y95.9Very high91.3Very high27 Ų2757.4 Ų57.411%0.10630%0.301CS..Hα-helixtrans-65.4-43.1177.9173.7-107.2000112.2L19 L20 I21 A42 S44 L53 L55 F169L19-Y23 WeakPolarHBondContact O-CB 3.29Å; L19-Y23 PolarHBondContact O-N 3.04Å; L19-Y23 VanDerWaalsContact O-N 3.07Å; L20-Y23 PolarHBondContact O-N 2.95Å; I21-Y23 VanDerWaalsContact C-N 3.29Å; I21-Y23 PolarHBondContact O-N 3.4Å; Y23-A42 HydrophobicContact CD1-CB 4.43Å; Y23-A42 HydrophobicContact CE1-CB 3.69Å; Y23-S44 WeakPolarHBondContact OH-CB 3.32Å; Y23-S44 PolarHBondContact OH-OG 3.04Å; Y23-L53 HydrophobicContact CE1-CD2 4.02Å; Y23-L55 HydrophobicContact CD1-CD1 3.6Å; Y23-L55 HydrophobicContact CE1-CD1 3.85Å; Y23-F169 AromaticContact CD1-CD2 3.78Å; Y23-F169 HydrophobicContact CD1-CD2 3.78Å; Y23-F169 HydrophobicContact CD1-CE2 4.18Å; Y23-F169 HydrophobicContact CD1-CG 4.06Å; Y23-F169 HydrophobicContact CD2-CB 4.03Å; Y23-F169 AromaticContact CD2-CD2 3.38Å; Y23-F169 HydrophobicContact CD2-CD2 3.38Å; Y23-F169 HydrophobicContact CD2-CE2 4.21Å; Y23-F169 AromaticContact CD2-CG 4Å; Y23-F169 HydrophobicContact CD2-CG 4Å; Y23-F169 HydrophobicContact CE1-CB 4.15Å; Y23-F169 HydrophobicContact CE1-CD2 4.26Å; Y23-F169 HydrophobicContact CE1-CG 4.12Å; Y23-F169 HydrophobicContact CE2-CB 3.62Å; Y23-F169 AromaticContact CE2-CD2 3.92Å; Y23-F169 HydrophobicContact CE2-CD2 3.92Å; Y23-F169 HydrophobicContact CE2-CG 4.07Å; Y23-F169 HydrophobicContact CG-CB 4.44Å; Y23-F169 AromaticContact CG-CD2 3.29Å; Y23-F169 HydrophobicContact CG-CD2 3.29Å; Y23-F169 AromaticContact CG-CE2 3.72Å; Y23-F169 HydrophobicContact CG-CE2 3.72Å; Y23-F169 AromaticContact CG-CG 3.98Å; Y23-F169 HydrophobicContact CG-CG 3.98Å
24T93.6Very high90.4Very high43 Ų4358.4 Ų58.426%0.26430%0.303SS..Hα-helixtrans-82.2-27-175.558.40000114L20 I21 A42 L55L20-T24 PolarHBondContact O-N 2.9Å; L20-T24 PolarHBondContact O-OG1 2.92Å; I21-T24 PolarHBondContact O-N 3.17Å; I21-T24 PolarHBondContact O-OG1 3.43Å; T24-A42 HydrophobicContact CG2-CB 4.29Å; T24-L55 HydrophobicContact CG2-CD1 3.77Å
25T91.8Very high89.7Confident77 Ų7759.3 Ų59.347%0.47231%0.308SS..Hα-helixtrans-112.7-12.1-173.969.20000114I21 A27I21-T25 HydrophobicContact CG2-CG2 4.25Å; I21-T25 WeakPolarHBondContact O-CB 3.43Å; I21-T25 PolarHBondContact O-N 3.47Å; I21-T25 PolarHBondContact O-OG1 3.14Å; T25-A27 PolarHBondContact O-N 3.38Å; T25-A27 PolarHBondContact OG1-N 3.11Å; T25-A27 PolarHBondContact OG1-O 3.17Å
26N90Very high88.7Confident88 Ų8861.9 Ų61.947%0.47132%0.322SS..SBendtrans52.830.8-166.8-55.8-76.2000112.6C22 Q162C22-N26 WeakPolarHBondContact O-CA 3.44Å; C22-N26 PolarHBondContact O-N 2.91Å; N26-Q162 PolarHBondContact O-NE2 3.25Å
27A89.1Confident87.4Confident50 Ų5065.6 Ų65.641%0.41334%0.338SS..SBendtrans-139.7143.7177.400000111.3C22 T25C22-A27 WeakPolarHBondContact CA-O 3.38Å; C22-A27 PolarHBondContact SG-O 3.48Å; C22-A27 VanDerWaalsContact SG-O 3.35Å; T25-A27 PolarHBondContact O-N 3.38Å; T25-A27 PolarHBondContact OG1-N 3.11Å; T25-A27 PolarHBondContact OG1-O 3.17Å
28F88.9Confident86.9Confident87 Ų8767.6 Ų67.638%0.38235%0.348SS..  trans-83.7131.1174.8-170.8-94.3000110.6C18 C22 K30 A159 L160C18-F28 HydrophobicContact CB-CD2 4.48Å; C18-F28 HydrophobicContact CB-CE2 3.83Å; C18-F28 HydrophobicContact CB-CZ 4.41Å; C22-F28 VanDerWaalsContact SG-CA 3.54Å; F28-K30 PolarHBondContact O-N 3.22Å; F28-A159 HydrophobicContact CD2-CB 4.08Å; F28-A159 HydrophobicContact CE2-CB 4.01Å; F28-L160 HydrophobicContact CD1-CD1 4.03Å; F28-L160 HydrophobicContact CD2-CB 4.2Å; F28-L160 HydrophobicContact CD2-CD1 4.38Å; F28-L160 HydrophobicContact CE1-CD1 4.19Å; F28-L160 HydrophobicContact CE2-CB 4.08Å; F28-L160 HydrophobicContact CG-CD1 4.13Å; F28-L160 HydrophobicContact CZ-CD1 4.42Å
29P86.4Confident86.5Confident30 Ų3070.1 Ų70.120%0.19536%0.359CS..  trans-66.8131.8179.527.4-33.9000110.8C18 I21C18-P29 HydrophobicContact CB-CG 4.4Å; I21-P29 HydrophobicContact CD1-CB 4.19Å; I21-P29 HydrophobicContact CD1-CG 4.23Å; I21-P29 HydrophobicContact CG2-CB 4.36Å; I21-P29 HydrophobicContact CG2-CG 4.37Å
30K80.7Confident86.1Confident213 Ų21372.3 Ų72.393%0.92637%0.368SS*.SBendtrans-80.8-24179.9-66-174.4-179.3179.90113.4F28F28-K30 PolarHBondContact O-N 3.22Å
31E81.6Confident85.9Confident158 Ų15876 Ų7674%0.73839%0.394SS*.SBendtrans-113.7139.1-178.8-66.5179.4-170.800110
32Y72.9Confident85.8Confident137 Ų13775.2 Ų75.254%0.53739%0.393SS..  trans-96.2112.1174.4178.2-106.3000109.8P34Y32-P34 HydrophobicContact CD1-CG 4.42Å; Y32-P34 HydrophobicContact CE1-CB 4.49Å; Y32-P34 HydrophobicContact CE1-CG 3.8Å
33I80.1Confident85.7Confident124 Ų12482 Ų8264%0.63642%0.424SS*.  trans-112.2118.7171.1-59.9172.4000106.7T35I33-T35 PolarHBondContact O-N 3.14Å
34P77.9Confident85.5Confident76 Ų7681.2 Ų81.249%0.49442%0.423SS..  trans-58.5124.7176.2-23.532.3000111.8Y32Y32-P34 HydrophobicContact CD1-CG 4.42Å; Y32-P34 HydrophobicContact CE1-CB 4.49Å; Y32-P34 HydrophobicContact CE1-CG 3.8Å
35T82.4Confident85.5Confident22 Ų2283.1 Ų83.114%0.13544%0.443CS..  trans-75.3131.4178.2-570000111.5T17 I33 D57 A59T17-T35 PolarHBondContact OG1-OG1 3.22Å; I33-T35 PolarHBondContact O-N 3.14Å; T35-D57 HydrophobicContact CG2-CB 4.06Å; T35-D57 WeakPolarHBondContact CG2-OD2 3.36Å; T35-D57 PolarHBondContact OG1-OD2 3.49Å; T35-A59 WeakPolarHBondContact O-CA 3.44Å; T35-A59 WeakPolarHBondContact O-CB 3.45Å
36V76.5Confident85.7Confident68 Ų6879.7 Ų79.741%0.41242%0.422SS..SBendtrans-89.8-56.2160.4179.40000108.7A59 Y64 L67V36-A59 WeakPolarHBondContact O-CB 3.33Å; V36-A59 PolarHBondContact O-N 2.96Å; V36-Y64 HydrophobicContact CG1-CD1 4.23Å; V36-Y64 HydrophobicContact CG1-CE1 4.01Å; V36-Y64 HydrophobicContact CG2-CE1 4.21Å; V36-L67 HydrophobicContact CG1-CD2 3.54Å
37F71.5Confident85.8Confident87 Ų8779.4 Ų79.438%0.38242%0.42SS..EExtended strand (participates in β ladder)trans-163.7138.7177-178.8-105.7000110N39 W56 D57F37-N39 VanDerWaalsContact CE1-ND2 3.27Å; F37-N39 WeakPolarHBondContact CE1-ND2 3.23Å; F37-N39 WeakPolarHBondContact CZ-ND2 3.21Å; F37-N39 WeakPolarHBondContact CZ-OD1 3.5Å; F37-W56 HydrophobicContact CE1-CE3 4.4Å; F37-W56 HydrophobicContact CE1-CZ3 4.24Å; F37-W56 HydrophobicContact CE2-CB 4.45Å; F37-W56 HydrophobicContact CE2-CD2 4.23Å; F37-W56 AromaticContact CE2-CE3 3.36Å; F37-W56 HydrophobicContact CE2-CE3 3.36Å; F37-W56 AromaticContact CE2-CZ3 3.85Å; F37-W56 HydrophobicContact CE2-CZ3 3.85Å; F37-W56 AromaticContact CZ-CD2 3.95Å; F37-W56 HydrophobicContact CZ-CD2 3.95Å; F37-W56 AromaticContact CZ-CE3 3.14Å; F37-W56 HydrophobicContact CZ-CE3 3.14Å; F37-W56 HydrophobicContact CZ-CH2 4.2Å; F37-W56 AromaticContact CZ-CZ3 3.28Å; F37-W56 HydrophobicContact CZ-CZ3 3.28Å; F37-D57 WeakPolarHBondContact CD2-O 3.38Å
38D86Confident85.9Confident69 Ų6981.2 Ų81.237%0.36944%0.444SS..EExtended strand (participates in β ladder)trans-151154.9173-154-11.4000111.3Y40 D57D38-Y40 HydrophobicContact CB-CE2 3.88Å; D38-Y40 PolarHBondContact OD2-OH 2.84Å; D38-D57 HydrophobicContact CB-CB 4.24Å; D38-D57 PolarHBondContact N-O 3.33Å; D38-D57 PolarHBondContact O-N 3.41Å
39N87.4Confident86.2Confident76 Ų7681.5 Ų81.541%0.40644%0.443SS..EExtended strand (participates in β ladder)trans-125.8122.1179.8-74.8-43.8000110.9F37 L55F37-N39 VanDerWaalsContact CE1-ND2 3.27Å; F37-N39 WeakPolarHBondContact CE1-ND2 3.23Å; F37-N39 WeakPolarHBondContact CZ-ND2 3.21Å; F37-N39 WeakPolarHBondContact CZ-OD1 3.5Å; N39-L55 WeakPolarHBondContact CA-O 3.48Å
40Y89.8Confident86.6Confident47 Ų4783.6 Ų83.618%0.18446%0.455CS..EExtended strand (participates in β ladder)trans-112.7158.6173.5-50.6-88.8000110.7L20 I21 D38 L55 D57L20-Y40 HydrophobicContact CB-CD2 4.22Å; L20-Y40 HydrophobicContact CB-CE2 4.32Å; L20-Y40 HydrophobicContact CD1-CD2 4.36Å; L20-Y40 HydrophobicContact CD1-CE2 4.43Å; I21-Y40 HydrophobicContact CG1-CE1 4.4Å; D38-Y40 HydrophobicContact CB-CE2 3.88Å; D38-Y40 PolarHBondContact OD2-OH 2.84Å; Y40-L55 PolarHBondContact N-O 3.13Å; Y40-L55 PolarHBondContact O-N 3.35Å; Y40-D57 HydrophobicContact CE2-CB 4.15Å
41S90.8Very high87.4Confident77 Ų7773.5 Ų73.554%0.53841%0.411SS..EExtended strand (participates in β ladder)trans-137.7136.9175.1-64.50000110.2L53 N54S41-L53 WeakPolarHBondContact CA-O 3.23Å; S41-N54 PolarHBondContact OG-OD1 3.49Å
42A92.8Very high88.1Confident21 Ų2167.9 Ų67.917%0.17439%0.386CS..EExtended strand (participates in β ladder)trans-143.9143.2175.700000110.5Y23 T24 L53Y23-A42 HydrophobicContact CD1-CB 4.43Å; Y23-A42 HydrophobicContact CE1-CB 3.69Å; T24-A42 HydrophobicContact CG2-CB 4.29Å; A42-L53 PolarHBondContact N-O 3.12Å; A42-L53 WeakPolarHBondContact O-CB 3.39Å; A42-L53 PolarHBondContact O-N 3.19Å
43Q93.6Very high89.3Confident144 Ų14461.3 Ų61.367%0.67336%0.36SS*.EExtended strand (participates in β ladder)trans-75.7132.7166.9-68-172.91.600109.3M1 V51M1-Q43 HydrophobicContact CE-CG 4.05Å; Q43-V51 WeakPolarHBondContact CA-O 3.4Å
44S92.1Very high90.1Very high12 Ų1257.4 Ų57.48%0.08434%0.34CS..EExtended strand (participates in β ladder)trans-126.7129.2177.5-165.40000109.7Y23 T50 V51Y23-S44 WeakPolarHBondContact OH-CB 3.32Å; Y23-S44 PolarHBondContact OH-OG 3.04Å; S44-T50 WeakPolarHBondContact O-CA 3.38Å; S44-V51 PolarHBondContact N-O 3.33Å; S44-V51 PolarHBondContact O-N 2.9Å
45A94.1Very high91Very high82 Ų8253.8 Ų53.868%0.67832%0.317SS*.EExtended strand (participates in β ladder)trans-104.7110.5174.700000108.9R49A45-R49 CarbonylContact C-O 3.57Å; A45-R49 WeakPolarHBondContact CA-O 3.38Å
46V94.5Very high91.7Very high5 Ų555.5 Ų55.53%0.0332%0.321CS..EExtended strand (participates in β ladder)trans-132.1128-176.4179.90000109.3G48 R49 A170 V173 R174V46-G48 PolarHBondContact O-N 2.94Å; V46-R49 PolarHBondContact N-O 3.44Å; V46-R49 PolarHBondContact O-N 2.89Å; V46-A170 HydrophobicContact CG2-CB 4.16Å; V46-V173 HydrophobicContact CB-CB 4.41Å; V46-V173 HydrophobicContact CB-CG1 3.75Å; V46-V173 HydrophobicContact CG1-CG1 4.23Å; V46-V173 HydrophobicContact CG2-CB 3.95Å; V46-V173 HydrophobicContact CG2-CG1 3.73Å; V46-R174 HydrophobicContact CG1-CB 4.25Å
47D92.6Very high92.7Very high83 Ų8352.3 Ų52.344%0.44430%0.301SS..THydrogen-bonded Turntrans49.943.5177.9-52.3-14.7000112.6R49 R174 N178D47-R49 VanDerWaalsContact C-N 3.28Å; D47-R49 PolarHBondContact O-N 2.96Å; D47-R174 IonicContact OD1-CZ 2.87Å; D47-R174 IonicContact OD1-NE 3.83Å; D47-R174 PolarHBondContact OD1-NE 2.74Å; D47-R174 IonicContact OD1-NH2 2.85Å; D47-R174 PolarHBondContact OD1-NH2 2.87Å; D47-R174 IonicContact OD2-CZ 3.21Å; D47-R174 IonicContact OD2-NE 3.6Å; D47-R174 PolarHBondContact OD2-NE 2.81Å; D47-R174 IonicContact OD2-NH2 2.85Å; D47-N178 PolarHBondContact OD2-ND2 3.38Å; D47-N178 VanDerWaalsContact OD2-ND2 3.12Å
48G91.9Very high93.8Very high88 Ų8848.2 Ų48.291%0.90728%0.284SS*.THydrogen-bonded Turntrans76.62.8-18000000115.7V46V46-G48 PolarHBondContact O-N 2.94Å
49R93.9Very high94.2Very high93 Ų9345 Ų4535%0.35127%0.267SS..EExtended strand (participates in β ladder)trans-111.7133178.2-70.7175.9-76.8-175.5-5.7111.3A45 V46 D47 L177 N178A45-R49 CarbonylContact C-O 3.57Å; A45-R49 WeakPolarHBondContact CA-O 3.38Å; V46-R49 PolarHBondContact N-O 3.44Å; V46-R49 PolarHBondContact O-N 2.89Å; D47-R49 VanDerWaalsContact C-N 3.28Å; D47-R49 PolarHBondContact O-N 2.96Å; R49-L177 HydrophobicContact CB-CD1 4.16Å; R49-L177 PolarHBondContact NH1-O 3.11Å; R49-L177 VanDerWaalsContact NH1-O 3.08Å; R49-N178 PolarHBondContact NH2-OD1 3.19Å
50T95.4Very high94.4Very high73 Ų7341.7 Ų41.745%0.44825%0.251SS..EExtended strand (participates in β ladder)trans-97.7126.7173-54.20000110.5M1 S44M1-T50 HydrophobicContact SD-CG2 4.06Å; S44-T50 WeakPolarHBondContact O-CA 3.38Å
51V96.8Very high94.5Very high1 Ų142 Ų421%0.00625%0.254CS..EExtended strand (participates in β ladder)trans-123.9156.5179.3-57.20000111Q2 I4 Q43 S44 V173 L177Q2-V51 HydrophobicContact CB-CG1 4.33Å; Q2-V51 CarbonylContact O-C 3.59Å; Q2-V51 WeakPolarHBondContact O-CA 3.42Å; Q2-V51 WeakPolarHBondContact O-CB 3.43Å; I4-V51 HydrophobicContact CD1-CB 4.21Å; I4-V51 HydrophobicContact CD1-CG1 4.05Å; I4-V51 HydrophobicContact CD1-CG2 4.1Å; I4-V51 HydrophobicContact CG1-CB 4.48Å; Q43-V51 WeakPolarHBondContact CA-O 3.4Å; S44-V51 PolarHBondContact N-O 3.33Å; S44-V51 PolarHBondContact O-N 2.9Å; V51-V173 HydrophobicContact CG1-CG1 4.47Å; V51-V173 HydrophobicContact CG2-CG1 3.79Å; V51-V173 HydrophobicContact CG2-CG2 3.9Å; V51-L177 HydrophobicContact CG1-CD1 4.11Å; V51-L177 HydrophobicContact CG1-CD2 4.28Å
52N96.9Very high94.5Very high40 Ų4044.6 Ų44.621%0.21426%0.257CS..EExtended strand (participates in β ladder)trans-90112.4163.3-168.921.5000108.9M1 Q2 S3 I4 N54M1-N52 HydrophobicContact CE-CB 3.69Å; Q2-N52 PolarHBondContact O-N 3.17Å; S3-N52 CarbonylContact C-O 3.56Å; S3-N52 WeakPolarHBondContact CA-O 3.43Å; I4-N52 PolarHBondContact N-O 3.23Å; N52-N54 PolarHBondContact ND2-OD1 3.26Å
53L97.4Very high94.5Very high0 Ų051.2 Ų51.20%029%0.285CS..EExtended strand (participates in β ladder)trans-94.4109.5177.6-174.862000109.4I4 C6 Y23 S41 A42 L55 F169 V173I4-L53 HydrophobicContact CB-CD1 4.06Å; I4-L53 HydrophobicContact CG2-CD1 3.82Å; C6-L53 HydrophobicContact CB-CD1 3.79Å; Y23-L53 HydrophobicContact CE1-CD2 4.02Å; S41-L53 WeakPolarHBondContact CA-O 3.23Å; A42-L53 PolarHBondContact N-O 3.12Å; A42-L53 WeakPolarHBondContact O-CB 3.39Å; A42-L53 PolarHBondContact O-N 3.19Å; L53-L55 HydrophobicContact CD2-CD2 3.84Å; L53-L55 HydrophobicContact CD2-CG 4.41Å; L53-L55 HydrophobicContact CG-CD2 3.85Å; L53-L55 HydrophobicContact CG-CG 4.15Å; L53-F169 HydrophobicContact CD2-CB 3.87Å; L53-F169 HydrophobicContact CD2-CD1 4.04Å; L53-F169 HydrophobicContact CD2-CG 4.27Å; L53-V173 HydrophobicContact CD1-CG2 4Å; L53-V173 HydrophobicContact CD2-CG2 4.07Å; L53-V173 HydrophobicContact CG-CG2 4.48Å
54N97.9Very high94.5Very high41 Ų4148.4 Ų48.422%0.21927%0.269CS..EExtended strand (participates in β ladder)trans-92118174.2-55.5-64.4000108.7I4 C6 S41 N52I4-N54 PolarHBondContact O-N 3.25Å; C6-N54 PolarHBondContact N-O 2.96Å; S41-N54 PolarHBondContact OG-OD1 3.49Å; N52-N54 PolarHBondContact ND2-OD1 3.26Å
55L97.4Very high94.5Very high0 Ų050.1 Ų50.10%028%0.277CS..EExtended strand (participates in β ladder)trans-107.4122-172.7-63.9164.8000109.7C6 L20 Y23 T24 N39 Y40 L53 F169C6-L55 HydrophobicContact CB-CD2 4.03Å; C6-L55 WeakPolarHBondContact O-CA 3.36Å; L20-L55 HydrophobicContact CD2-CB 3.73Å; L20-L55 HydrophobicContact CD2-CD1 3.89Å; L20-L55 HydrophobicContact CD2-CD2 3.78Å; L20-L55 HydrophobicContact CD2-CG 4.01Å; Y23-L55 HydrophobicContact CD1-CD1 3.6Å; Y23-L55 HydrophobicContact CE1-CD1 3.85Å; T24-L55 HydrophobicContact CG2-CD1 3.77Å; N39-L55 WeakPolarHBondContact CA-O 3.48Å; Y40-L55 PolarHBondContact N-O 3.13Å; Y40-L55 PolarHBondContact O-N 3.35Å; L53-L55 HydrophobicContact CD2-CD2 3.84Å; L53-L55 HydrophobicContact CD2-CG 4.41Å; L53-L55 HydrophobicContact CG-CD2 3.85Å; L53-L55 HydrophobicContact CG-CG 4.15Å; L55-F169 HydrophobicContact CD2-CD1 3.57Å; L55-F169 HydrophobicContact CD2-CE1 3.42Å; L55-F169 VanDerWaalsContact CD2-CE1 3.42Å; L55-F169 HydrophobicContact CD2-CZ 4.3Å
56W97.5Very high94.5Very high59 Ų5956.8 Ų56.822%0.22329%0.285CS..EExtended strand (participates in β ladder)trans-106.2109.5-178.8-67.657.4000108.4K5 C6 V7 V8 F37K5-W56 HydrophobicContact CD-CD2 4.48Å; K5-W56 HydrophobicContact CD-CZ2 4.34Å; K5-W56 VanDerWaalsContact CE-CE2 3.45Å; K5-W56 HydrophobicContact CG-CG 4.48Å; C6-W56 PolarHBondContact O-N 2.98Å; V7-W56 HydrophobicContact CB-CB 4.33Å; V7-W56 HydrophobicContact CG1-CB 4.37Å; V7-W56 HydrophobicContact CG2-CB 3.88Å; V7-W56 HydrophobicContact CG2-CG 4.12Å; V8-W56 PolarHBondContact N-O 3.08Å; F37-W56 HydrophobicContact CE1-CE3 4.4Å; F37-W56 HydrophobicContact CE1-CZ3 4.24Å; F37-W56 HydrophobicContact CE2-CB 4.45Å; F37-W56 HydrophobicContact CE2-CD2 4.23Å; F37-W56 AromaticContact CE2-CE3 3.36Å; F37-W56 HydrophobicContact CE2-CE3 3.36Å; F37-W56 AromaticContact CE2-CZ3 3.85Å; F37-W56 HydrophobicContact CE2-CZ3 3.85Å; F37-W56 AromaticContact CZ-CD2 3.95Å; F37-W56 HydrophobicContact CZ-CD2 3.95Å; F37-W56 AromaticContact CZ-CE3 3.14Å; F37-W56 HydrophobicContact CZ-CE3 3.14Å; F37-W56 HydrophobicContact CZ-CH2 4.2Å; F37-W56 AromaticContact CZ-CZ3 3.28Å; F37-W56 HydrophobicContact CZ-CZ3 3.28Å
57D96.1Very high94.4Very high0 Ų060.5 Ų60.50%030%0.304CS..EExtended strand (participates in β ladder)trans-83.8134.4172.4-162.615.2000109.7T17 L20 T35 F37 D38 Y40T17-D57 WeakPolarHBondContact CA-OD2 3.42Å; T17-D57 VanDerWaalsContact CB-OD2 3.24Å; T17-D57 WeakPolarHBondContact CB-OD2 3.37Å; T17-D57 VanDerWaalsContact CG2-OD2 3.32Å; T17-D57 WeakPolarHBondContact CG2-OD2 3.2Å; T17-D57 PolarHBondContact OG1-OD2 3.46Å; L20-D57 HydrophobicContact CD1-CB 3.38Å; T35-D57 HydrophobicContact CG2-CB 4.06Å; T35-D57 WeakPolarHBondContact CG2-OD2 3.36Å; T35-D57 PolarHBondContact OG1-OD2 3.49Å; F37-D57 WeakPolarHBondContact CD2-O 3.38Å; D38-D57 HydrophobicContact CB-CB 4.24Å; D38-D57 PolarHBondContact N-O 3.33Å; D38-D57 PolarHBondContact O-N 3.41Å; Y40-D57 HydrophobicContact CE2-CB 4.15Å
58T96Very high94.5Very high1 Ų157 Ų571%0.00628%0.284CS..EExtended strand (participates in β ladder)trans-127.6147-175.370.50000112.3V7 V8 K16 R68V7-T58 HydrophobicContact CG1-CG2 3.86Å; V8-T58 PolarHBondContact O-OG1 3.06Å; K16-T58 WeakPolarHBondContact CE-O 3.46Å; K16-T58 PolarHBondContact NZ-O 2.94Å; T58-R68 HydrophobicContact CG2-CG 4.18Å
59A93.4Very high94.7Very high2 Ų254.5 Ų54.52%0.01725%0.251CS..  trans-60.1136.6170.400000111.6T35 V36 Y64 R68T35-A59 WeakPolarHBondContact O-CA 3.44Å; T35-A59 WeakPolarHBondContact O-CB 3.45Å; V36-A59 WeakPolarHBondContact O-CB 3.33Å; V36-A59 PolarHBondContact O-N 2.96Å; A59-Y64 HydrophobicContact CB-CD2 3.53Å; A59-Y64 HydrophobicContact CB-CE2 4.38Å; A59-Y64 HydrophobicContact CB-CG 3.61Å; A59-R68 WeakPolarHBondContact O-CD 3.39Å; A59-R68 PolarHBondContact O-NH1 2.89Å
60G92.2Very high94.8Very high7 Ų756 Ų567%0.07227%0.266CS..  trans-97.1-4.2178.800000114.5G10 G12G10-G60 WeakPolarHBondContact O-CA 3.24Å; G12-G60 PolarHBondContact N-O 3.26Å
61Q91.8Very high94.8Very high52 Ų5252.7 Ų52.724%0.24325%0.246CC..SBendtrans-87.6151.1-177.9-50.379.4-1400110.6E63 Y64 R68Q61-E63 VanDerWaalsContact C-N 3.29Å; Q61-E63 WeakPolarHBondContact CB-OE2 3.48Å; Q61-E63 PolarHBondContact O-N 2.91Å; Q61-Y64 HydrophobicContact CB-CD2 4.04Å; Q61-Y64 HydrophobicContact CB-CE2 4.46Å; Q61-Y64 PolarHBondContact O-N 3.42Å; Q61-R68 PolarHBondContact O-NH1 3.42Å
62E89.9Confident94.8Very high132 Ų13252.8 Ų52.862%0.61725%0.246SC*.G310 helixtrans-71-28.3-170.6-51.7-153.9124.100112.7Y64 D65 K96E62-Y64 PolarHBondContact O-N 2.95Å; E62-D65 VanDerWaalsContact CA-OD1 3.29Å; E62-D65 WeakPolarHBondContact CA-OD1 3.24Å; E62-D65 WeakPolarHBondContact O-CB 3.38Å; E62-D65 PolarHBondContact O-N 3.45Å; E62-K96 IonicContact OE1-NZ 3.81Å; E62-K96 PolarHBondContact OE1-NZ 3.2Å
63E93.1Very high94.8Very high160 Ų16054.6 Ų54.675%0.74826%0.26SS*.G310 helixtrans-61.1-20.2177.3-56.481.6-178.800112Q61Q61-E63 VanDerWaalsContact C-N 3.29Å; Q61-E63 WeakPolarHBondContact CB-OE2 3.48Å; Q61-E63 PolarHBondContact O-N 2.91Å
64Y92.8Very high94.8Very high86 Ų8663.1 Ų63.134%0.33730%0.3SS..G310 helixtrans-102.68.7178.6-59.7-72.2000114V36 A59 Q61 E62 R66 L67 R68V36-Y64 HydrophobicContact CG1-CD1 4.23Å; V36-Y64 HydrophobicContact CG1-CE1 4.01Å; V36-Y64 HydrophobicContact CG2-CE1 4.21Å; A59-Y64 HydrophobicContact CB-CD2 3.53Å; A59-Y64 HydrophobicContact CB-CE2 4.38Å; A59-Y64 HydrophobicContact CB-CG 3.61Å; Q61-Y64 HydrophobicContact CB-CD2 4.04Å; Q61-Y64 HydrophobicContact CB-CE2 4.46Å; Q61-Y64 PolarHBondContact O-N 3.42Å; E62-Y64 PolarHBondContact O-N 2.95Å; Y64-R66 VanDerWaalsContact C-N 3.32Å; Y64-R66 PolarHBondContact O-N 2.97Å; Y64-L67 HydrophobicContact CD1-CD2 4.01Å; Y64-L67 PolarHBondContact O-N 3.15Å; Y64-L67 VanDerWaalsContact O-N 3.08Å; Y64-R68 WeakPolarHBondContact O-CB 3.45Å; Y64-R68 PolarHBondContact O-N 2.88Å
65D92.6Very high94.8Very high47 Ų4761.6 Ų61.625%0.25129%0.292SS..Hα-helixtrans-51.9-48.7-177.2-76.80.1000111.8E62 L67 R68 T69 K96E62-D65 VanDerWaalsContact CA-OD1 3.29Å; E62-D65 WeakPolarHBondContact CA-OD1 3.24Å; E62-D65 WeakPolarHBondContact O-CB 3.38Å; E62-D65 PolarHBondContact O-N 3.45Å; D65-L67 PolarHBondContact O-N 2.86Å; D65-R68 PolarHBondContact O-N 3.12Å; D65-R68 IonicContact OD1-CZ 3.58Å; D65-R68 IonicContact OD1-NH1 3.89Å; D65-R68 PolarHBondContact OD1-NH1 3.32Å; D65-R68 IonicContact OD1-NH2 3.73Å; D65-R68 PolarHBondContact OD1-NH2 2.69Å; D65-T69 WeakPolarHBondContact O-CG2 3.37Å; D65-T69 PolarHBondContact O-N 3.27Å; D65-K96 IonicContact OD1-NZ 2.97Å; D65-K96 PolarHBondContact OD1-NZ 3.31Å; D65-K96 IonicContact OD2-NZ 3.76Å; D65-K96 PolarHBondContact OD2-NZ 2.87Å
66R93.6Very high94.9Very high223 Ų22364.5 Ų64.584%0.84231%0.308SS*.Hα-helixtrans-64.1-44.2178.2-66.4-175.9-178.2179.70.8112.6Y64 T69Y64-R66 VanDerWaalsContact C-N 3.32Å; Y64-R66 PolarHBondContact O-N 2.97Å; R66-T69 PolarHBondContact O-N 3.24Å; R66-T69 PolarHBondContact O-OG1 3.32Å
67L92.4Very high94.9Very high83 Ų8361.7 Ų61.744%0.43530%0.297SS..Hα-helixtrans-65.3-41.1-178.6-175.466.1000111.3V36 Y64 D65 T69 L70V36-L67 HydrophobicContact CG1-CD2 3.54Å; Y64-L67 HydrophobicContact CD1-CD2 4.01Å; Y64-L67 PolarHBondContact O-N 3.15Å; Y64-L67 VanDerWaalsContact O-N 3.08Å; D65-L67 PolarHBondContact O-N 2.86Å; L67-T69 VanDerWaalsContact C-N 3.32Å; L67-T69 PolarHBondContact O-N 3.31Å; L67-L70 HydrophobicContact CD1-CD1 4.05Å; L67-L70 VanDerWaalsContact O-CB 3.32Å; L67-L70 WeakPolarHBondContact O-CB 3.27Å; L67-L70 WeakPolarHBondContact O-CG 3.41Å; L67-L70 PolarHBondContact O-N 3.15Å
68R96.3Very high95Very high8 Ų861.7 Ų61.73%0.0330%0.297CS..Hα-helixtrans-58.6-41.7179.2176.4171.660.8-116.33.5111.9T58 A59 Q61 Y64 D65 L70 S71 Y72 E100T58-R68 HydrophobicContact CG2-CG 4.18Å; A59-R68 WeakPolarHBondContact O-CD 3.39Å; A59-R68 PolarHBondContact O-NH1 2.89Å; Q61-R68 PolarHBondContact O-NH1 3.42Å; Y64-R68 WeakPolarHBondContact O-CB 3.45Å; Y64-R68 PolarHBondContact O-N 2.88Å; D65-R68 PolarHBondContact O-N 3.12Å; D65-R68 IonicContact OD1-CZ 3.58Å; D65-R68 IonicContact OD1-NH1 3.89Å; D65-R68 PolarHBondContact OD1-NH1 3.32Å; D65-R68 IonicContact OD1-NH2 3.73Å; D65-R68 PolarHBondContact OD1-NH2 2.69Å; R68-L70 PolarHBondContact O-N 3.14Å; R68-L70 VanDerWaalsContact O-N 3.12Å; R68-S71 WeakPolarHBondContact O-CB 3.4Å; R68-S71 PolarHBondContact O-N 3.01Å; R68-S71 PolarHBondContact O-OG 2.69Å; R68-Y72 WeakPolarHBondContact CD-OH 3.47Å; R68-Y72 HydrophobicContact CG-CE1 4.02Å; R68-Y72 WeakPolarHBondContact CG-OH 3.44Å; R68-Y72 PolarHBondContact NE-OH 3.27Å; R68-E100 IonicContact CZ-OE1 2.72Å; R68-E100 IonicContact CZ-OE2 2.91Å; R68-E100 IonicContact NE-OE1 2.96Å; R68-E100 PolarHBondContact NE-OE1 3.47Å; R68-E100 IonicContact NE-OE2 2.68Å; R68-E100 IonicContact NH2-OE1 3.32Å; R68-E100 PolarHBondContact NH2-OE1 3.35Å; R68-E100 VanDerWaalsContact NH2-OE1 3.17Å; R68-E100 IonicContact NH2-OE2 3.95Å; R68-E100 PolarHBondContact NH2-OE2 3.01Å
69T95.1Very high95.2Very high36 Ų3661.7 Ų61.722%0.22130%0.297CS..Hα-helixtrans-62.6-21.2-178.964.60000113.8D65 R66 L67 S71 Y72 H104D65-T69 WeakPolarHBondContact O-CG2 3.37Å; D65-T69 PolarHBondContact O-N 3.27Å; R66-T69 PolarHBondContact O-N 3.24Å; R66-T69 PolarHBondContact O-OG1 3.32Å; L67-T69 VanDerWaalsContact C-N 3.32Å; L67-T69 PolarHBondContact O-N 3.31Å; T69-S71 PolarHBondContact O-N 2.9Å; T69-Y72 HydrophobicContact CG2-CD2 4.21Å; T69-Y72 HydrophobicContact CG2-CE2 3.88Å; T69-Y72 WeakPolarHBondContact O-CB 3.28Å; T69-Y72 PolarHBondContact O-N 3.24Å; T69-Y72 VanDerWaalsContact O-N 3.09Å; T69-H104 WeakPolarHBondContact CG2-NE2 3.4Å
70L95.3Very high95.4Very high126 Ų12661.6 Ų61.666%0.6630%0.296SS*.THydrogen-bonded Turntrans-64.5-19.2173.2-55.9-175.9000112.8L67 R68 P73L67-L70 HydrophobicContact CD1-CD1 4.05Å; L67-L70 VanDerWaalsContact O-CB 3.32Å; L67-L70 WeakPolarHBondContact O-CB 3.27Å; L67-L70 WeakPolarHBondContact O-CG 3.41Å; L67-L70 PolarHBondContact O-N 3.15Å; R68-L70 PolarHBondContact O-N 3.14Å; R68-L70 VanDerWaalsContact O-N 3.12Å; L70-P73 WeakPolarHBondContact O-CD 3.42Å
71S95.8Very high95.7Very high3 Ų361.2 Ų61.22%0.02129%0.292CS..THydrogen-bonded Turntrans-78.7-15174.469.30000114K5 R68 T69K5-S71 WeakPolarHBondContact CE-O 3.36Å; K5-S71 PolarHBondContact NZ-O 3.11Å; R68-S71 WeakPolarHBondContact O-CB 3.4Å; R68-S71 PolarHBondContact O-N 3.01Å; R68-S71 PolarHBondContact O-OG 2.69Å; T69-S71 PolarHBondContact O-N 2.9Å
72Y97.8Very high96.1Very high3 Ų358.8 Ų58.81%0.01228%0.281CS..  trans-78.3-32.2-168.8-63-9.9000116.6V7 V9 R68 T69 Q74 T75 F78 E100 H104V7-Y72 HydrophobicContact CG1-CD1 4.16Å; V7-Y72 HydrophobicContact CG1-CE1 4.07Å; V9-Y72 HydrophobicContact CG1-CE1 3.97Å; R68-Y72 WeakPolarHBondContact CD-OH 3.47Å; R68-Y72 HydrophobicContact CG-CE1 4.02Å; R68-Y72 WeakPolarHBondContact CG-OH 3.44Å; R68-Y72 PolarHBondContact NE-OH 3.27Å; T69-Y72 HydrophobicContact CG2-CD2 4.21Å; T69-Y72 HydrophobicContact CG2-CE2 3.88Å; T69-Y72 WeakPolarHBondContact O-CB 3.28Å; T69-Y72 PolarHBondContact O-N 3.24Å; T69-Y72 VanDerWaalsContact O-N 3.09Å; Y72-Q74 PolarHBondContact O-N 3.49Å; Y72-T75 VanDerWaalsContact O-CB 3.31Å; Y72-T75 WeakPolarHBondContact O-CB 3.26Å; Y72-T75 PolarHBondContact O-N 3.41Å; Y72-T75 VanDerWaalsContact O-N 3.13Å; Y72-T75 PolarHBondContact O-OG1 3.35Å; Y72-F78 AromaticContact CD1-CE1 3.62Å; Y72-F78 HydrophobicContact CD1-CE1 3.62Å; Y72-F78 AromaticContact CD1-CZ 3.85Å; Y72-F78 HydrophobicContact CD1-CZ 3.85Å; Y72-F78 AromaticContact CE1-CE1 3.74Å; Y72-F78 HydrophobicContact CE1-CE1 3.74Å; Y72-F78 HydrophobicContact CE1-CZ 4.36Å; Y72-F78 HydrophobicContact CG-CE1 4.23Å; Y72-F78 HydrophobicContact CG-CZ 4.02Å; Y72-E100 HydrophobicContact CE2-CG 4.22Å; Y72-E100 PolarHBondContact OH-OE1 3.44Å; Y72-H104 HydrophobicContact CD2-CB 3.64Å; Y72-H104 AromaticContact CD2-CD2 3.96Å; Y72-H104 AromaticContact CD2-CG 3.81Å; Y72-H104 HydrophobicContact CE2-CB 4.34Å; Y72-H104 AromaticContact CE2-CD2 3.98Å
73P97.4Very high96.5Very high78 Ų7852.8 Ų52.851%0.50625%0.254SS..THydrogen-bonded Turntrans-52.6135.9179.8-29.436.6000112.7K5 L70 T75K5-P73 PolarHBondContact NZ-O 2.98Å; L70-P73 WeakPolarHBondContact O-CD 3.42Å; P73-T75 PolarHBondContact O-N 3.36Å
74Q96.4Very high96.8Very high178 Ų17845.1 Ų45.183%0.83222%0.218SC*.THydrogen-bonded Turntrans62.120.7179-51.5175.8-52.600115Y72 N76Y72-Q74 PolarHBondContact O-N 3.49Å; Q74-N76 PolarHBondContact O-N 2.89Å
75T98.3Very high97Very high10 Ų1041.2 Ų41.26%0.06120%0.203CC..  trans-65.8132.9173.6-59.50000110.6V7 Y72 P73 V77 F78 V108V7-T75 HydrophobicContact CB-CG2 4.01Å; V7-T75 HydrophobicContact CG2-CG2 3.66Å; V7-T75 WeakPolarHBondContact CG2-OG1 3.48Å; Y72-T75 VanDerWaalsContact O-CB 3.31Å; Y72-T75 WeakPolarHBondContact O-CB 3.26Å; Y72-T75 PolarHBondContact O-N 3.41Å; Y72-T75 VanDerWaalsContact O-N 3.13Å; Y72-T75 PolarHBondContact O-OG1 3.35Å; P73-T75 PolarHBondContact O-N 3.36Å; T75-V77 WeakPolarHBondContact CG2-O 3.34Å; T75-F78 HydrophobicContact CG2-CD1 4.35Å; T75-F78 HydrophobicContact CG2-CD2 3.79Å; T75-F78 HydrophobicContact CG2-CE1 4.13Å; T75-F78 HydrophobicContact CG2-CE2 3.51Å; T75-F78 HydrophobicContact CG2-CG 4.2Å; T75-F78 HydrophobicContact CG2-CZ 3.7Å; T75-V108 HydrophobicContact CG2-CG1 4.15Å; T75-V108 WeakPolarHBondContact O-CG2 3.39Å
76N98.3Very high97.3Very high61 Ų6140.8 Ų40.833%0.32620%0.204SC..SBendtrans-94.2-28177.4-59.2120.8000112.5I4 K5 Q74 P109 V176I4-N76 WeakPolarHBondContact CA-OD1 3.5Å; I4-N76 HydrophobicContact CG2-CB 3.98Å; K5-N76 PolarHBondContact N-OD1 3.32Å; K5-N76 WeakPolarHBondContact O-CB 3.45Å; K5-N76 PolarHBondContact O-N 2.93Å; Q74-N76 PolarHBondContact O-N 2.89Å; N76-P109 WeakPolarHBondContact O-CD 3.37Å; N76-P109 WeakPolarHBondContact O-CG 3.49Å; N76-V176 HydrophobicContact CB-CG1 4.13Å; N76-V176 HydrophobicContact CB-CG2 3.92Å; N76-V176 WeakPolarHBondContact O-CG2 3.27Å
77V98.6Very high97.6Very high0 Ų031 Ų310%017%0.169CC..EExtended strand (participates in β ladder)trans-154.3142.5178.260.40000110.5I4 K5 C6 V7 T75 P109 L111 A172 V176I4-V77 HydrophobicContact CG2-CG1 4.25Å; K5-V77 PolarHBondContact O-N 3.36Å; C6-V77 WeakPolarHBondContact CA-O 3.45Å; C6-V77 HydrophobicContact CB-CG1 3.75Å; V7-V77 PolarHBondContact N-O 2.72Å; V7-V77 VanDerWaalsContact N-O 3.11Å; T75-V77 WeakPolarHBondContact CG2-O 3.34Å; V77-P109 HydrophobicContact CB-CG 4.31Å; V77-P109 HydrophobicContact CG2-CG 4.3Å; V77-L111 HydrophobicContact CG2-CD1 3.53Å; V77-A172 HydrophobicContact CG1-CB 4.1Å; V77-A172 HydrophobicContact CG2-CB 4.24Å; V77-V176 HydrophobicContact CB-CG2 3.77Å; V77-V176 HydrophobicContact CG1-CG2 4.03Å
78F98.8Very high97.9Very high0 Ų030 Ų300%017%0.168CC..EExtended strand (participates in β ladder)trans-104.5143.4170.5-77.2-86.2000111.2V7 V9 Y72 T75 V101 C105 V108 P109 I110 L111V7-F78 HydrophobicContact CB-CD1 3.83Å; V7-F78 HydrophobicContact CB-CE1 3.7Å; V7-F78 HydrophobicContact CG1-CD1 4.13Å; V7-F78 HydrophobicContact CG1-CE1 3.82Å; V7-F78 HydrophobicContact CG2-CE1 4.37Å; V7-F78 WeakPolarHBondContact O-CA 3.22Å; V9-F78 HydrophobicContact CG1-CD1 4.44Å; Y72-F78 AromaticContact CD1-CE1 3.62Å; Y72-F78 HydrophobicContact CD1-CE1 3.62Å; Y72-F78 AromaticContact CD1-CZ 3.85Å; Y72-F78 HydrophobicContact CD1-CZ 3.85Å; Y72-F78 AromaticContact CE1-CE1 3.74Å; Y72-F78 HydrophobicContact CE1-CE1 3.74Å; Y72-F78 HydrophobicContact CE1-CZ 4.36Å; Y72-F78 HydrophobicContact CG-CE1 4.23Å; Y72-F78 HydrophobicContact CG-CZ 4.02Å; T75-F78 HydrophobicContact CG2-CD1 4.35Å; T75-F78 HydrophobicContact CG2-CD2 3.79Å; T75-F78 HydrophobicContact CG2-CE1 4.13Å; T75-F78 HydrophobicContact CG2-CE2 3.51Å; T75-F78 HydrophobicContact CG2-CG 4.2Å; T75-F78 HydrophobicContact CG2-CZ 3.7Å; F78-V101 HydrophobicContact CB-CG1 4.16Å; F78-V101 HydrophobicContact CD1-CG1 4.11Å; F78-V101 HydrophobicContact CD1-CG2 3.9Å; F78-V101 HydrophobicContact CD2-CG1 3.5Å; F78-V101 VanDerWaalsContact CD2-CG1 3.5Å; F78-V101 HydrophobicContact CE1-CG1 4.39Å; F78-V101 HydrophobicContact CE1-CG2 4.16Å; F78-V101 HydrophobicContact CE2-CG1 3.85Å; F78-V101 HydrophobicContact CG-CG1 3.65Å; F78-V101 HydrophobicContact CG-CG2 4.21Å; F78-V101 HydrophobicContact CZ-CG1 4.27Å; F78-C105 HydrophobicContact CE2-CB 3.53Å; F78-C105 HydrophobicContact CZ-CB 4.1Å; F78-V108 HydrophobicContact CD2-CB 3.96Å; F78-V108 HydrophobicContact CD2-CG1 3.49Å; F78-V108 VanDerWaalsContact CD2-CG1 3.49Å; F78-V108 HydrophobicContact CE2-CB 4.02Å; F78-V108 HydrophobicContact CE2-CG1 3.8Å; F78-V108 HydrophobicContact CE2-CG2 4.4Å; F78-P109 PolarHBondContact N-O 3.01Å; F78-I110 HydrophobicContact CB-CG1 4.29Å; F78-L111 PolarHBondContact O-N 2.78Å
79V98.8Very high98Very high0 Ų029.7 Ų29.70%017%0.167CC..EExtended strand (participates in β ladder)trans-114111.3165.1177.40000107.7V7 V8 V9 L111 V113 V168 A172V7-V79 PolarHBondContact O-N 3.01Å; V8-V79 WeakPolarHBondContact CA-O 3.44Å; V8-V79 HydrophobicContact CG1-CB 4.28Å; V8-V79 HydrophobicContact CG1-CG1 4.25Å; V8-V79 HydrophobicContact CG2-CB 4.23Å; V9-V79 PolarHBondContact N-O 3.03Å; V79-L111 HydrophobicContact CG2-CB 4.38Å; V79-V113 HydrophobicContact CG1-CB 4.05Å; V79-V113 HydrophobicContact CG1-CG2 3.53Å; V79-V168 HydrophobicContact CG1-CG1 4.43Å; V79-A172 HydrophobicContact CG2-CB 4.45Å
80I98.9Very high98.1Very high0 Ų028.8 Ų28.80%016%0.159CC..EExtended strand (participates in β ladder)trans-93.7115.5173.3-56.4-179.6000108.2V9 V93 W97 H98 V101 I110 L111 V113V9-I80 HydrophobicContact CG2-CB 4.32Å; V9-I80 HydrophobicContact CG2-CG1 3.74Å; V9-I80 HydrophobicContact CG2-CG2 4.45Å; I80-V93 HydrophobicContact CG2-CG1 4.04Å; I80-V93 HydrophobicContact CG2-CG2 4.03Å; I80-W97 HydrophobicContact CD1-CB 4.39Å; I80-W97 HydrophobicContact CG2-CB 3.65Å; I80-W97 HydrophobicContact CG2-CG 4.25Å; I80-H98 HydrophobicContact CD1-CB 4.29Å; I80-V101 HydrophobicContact CD1-CG2 4.27Å; I80-V101 HydrophobicContact CG1-CG2 4.49Å; I80-I110 HydrophobicContact CB-CG2 4.49Å; I80-I110 HydrophobicContact CD1-CD1 4.35Å; I80-I110 HydrophobicContact CD1-CG2 3.6Å; I80-I110 HydrophobicContact CG1-CG2 3.8Å; I80-L111 PolarHBondContact N-O 2.96Å; I80-V113 PolarHBondContact O-N 2.8Å
81C98.9Very high98.3Very high0 Ų026.8 Ų26.80%015%0.147CC..EExtended strand (participates in β ladder)trans-99.2139.6-178.6-70.30000111.8V9 G10 V14 K16 V113 T115V9-C81 PolarHBondContact O-N 3.43Å; G10-C81 WeakPolarHBondContact CA-O 3.36Å; V14-C81 HydrophobicContact CG2-CB 3.93Å; K16-C81 HydrophobicContact CG-CB 3.97Å; C81-V113 WeakPolarHBondContact CA-O 3.26Å; C81-T115 HydrophobicContact CB-CG2 4.11Å
82F98.9Very high98.4Very high0 Ų029.3 Ų29.30%016%0.16CC..EExtended strand (participates in β ladder)trans-133.4158.716171.2-88.4000109.3I84 S89 Y90 V93 L112 V113 G114 T115 I137 Y154F82-I84 HydrophobicContact CE2-CG1 4.37Å; F82-S89 WeakPolarHBondContact CB-O 3.5Å; F82-Y90 HydrophobicContact CD2-CD2 4.19Å; F82-Y90 HydrophobicContact CE1-CD2 4.25Å; F82-Y90 AromaticContact CE2-CD2 3.88Å; F82-Y90 HydrophobicContact CE2-CD2 3.88Å; F82-Y90 AromaticContact CZ-CD2 3.89Å; F82-Y90 HydrophobicContact CZ-CD2 3.89Å; F82-V93 HydrophobicContact CB-CG2 3.98Å; F82-V93 HydrophobicContact CD1-CG2 4.18Å; F82-V93 HydrophobicContact CG-CG2 4.43Å; F82-L112 HydrophobicContact CD1-CD1 3.79Å; F82-L112 HydrophobicContact CD1-CG 4.31Å; F82-L112 HydrophobicContact CE1-CD1 3.92Å; F82-L112 HydrophobicContact CE1-CD2 4.17Å; F82-L112 HydrophobicContact CE1-CG 3.92Å; F82-V113 PolarHBondContact N-O 2.64Å; F82-G114 CarbonylContact O-C 3.57Å; F82-G114 WeakPolarHBondContact O-CA 3.15Å; F82-T115 PolarHBondContact O-N 3.3Å; F82-T115 PolarHBondContact O-OG1 2.9Å; F82-I137 HydrophobicContact CD2-CG1 4.47Å; F82-I137 HydrophobicContact CE2-CB 3.94Å; F82-I137 HydrophobicContact CE2-CG1 4.03Å; F82-I137 HydrophobicContact CE2-CG2 3.73Å; F82-I137 HydrophobicContact CZ-CG2 4.05Å; F82-Y154 AromaticContact CE1-CE2 3.8Å; F82-Y154 HydrophobicContact CE1-CE2 3.8Å; F82-Y154 AromaticContact CZ-CE2 3.85Å; F82-Y154 HydrophobicContact CZ-CE2 3.85Å
83S98.8Very high98.5Very high6 Ų629.1 Ų29.14%0.04216%0.159CC..EExtended strand (participates in β ladder)trans-91.9129.8176.9167.40000110.7A85 S86 S89 T115S83-A85 PolarHBondContact O-N 3.13Å; S83-A85 VanDerWaalsContact O-N 3.13Å; S83-A85 PolarHBondContact OG-N 2.66Å; S83-S86 CarbonylContact O-C 3.53Å; S83-S86 PolarHBondContact O-N 3.09Å; S83-S89 PolarHBondContact N-OG 2.8Å; S83-T115 WeakPolarHBondContact CA-OG1 3.2Å
84I98.8Very high98.5Very high0 Ų030.4 Ų30.40%015%0.154CC..THydrogen-bonded Turntrans-56.5-30.9176.1-75.3161.6000111.8F82 S86 G114 T115 K117 R120 P136 I137 E156F82-I84 HydrophobicContact CE2-CG1 4.37Å; I84-S86 VanDerWaalsContact C-N 3.35Å; I84-G114 WeakPolarHBondContact CD1-O 3.45Å; I84-T115 WeakPolarHBondContact CB-O 3.39Å; I84-T115 PolarHBondContact N-O 3.37Å; I84-K117 VanDerWaalsContact CD1-CA 3.44Å; I84-K117 HydrophobicContact CD1-CB 3.73Å; I84-K117 HydrophobicContact CD1-CG 4.18Å; I84-R120 VanDerWaalsContact CD1-NH2 3.31Å; I84-R120 HydrophobicContact CG2-CB 3.92Å; I84-R120 HydrophobicContact CG2-CG 4.43Å; I84-P136 HydrophobicContact CG2-CB 4.23Å; I84-P136 WeakPolarHBondContact O-CA 3.35Å; I84-I137 PolarHBondContact O-N 2.67Å; I84-E156 HydrophobicContact CD1-CB 4.13Å; I84-E156 HydrophobicContact CD1-CG 4Å
85A98.3Very high98.6Very high3 Ų328.1 Ų28.13%0.02514%0.143CC..THydrogen-bonded Turntrans-899.2177.400000114.8S83 L119 T125 R128S83-A85 PolarHBondContact O-N 3.13Å; S83-A85 VanDerWaalsContact O-N 3.13Å; S83-A85 PolarHBondContact OG-N 2.66Å; A85-L119 HydrophobicContact CB-CB 3.71Å; A85-L119 HydrophobicContact CB-CD1 3.64Å; A85-L119 HydrophobicContact CB-CG 4.35Å; A85-T125 HydrophobicContact CB-CG2 3.63Å; A85-R128 PolarHBondContact O-NH2 3.35Å; A85-R128 VanDerWaalsContact O-NH2 3.09Å
86S98.6Very high98.6Very high39 Ų3929.2 Ų29.227%0.27315%0.147SC..  trans-134.688179-177.50000110.8S83 I84 P88 S89 Y90S83-S86 CarbonylContact O-C 3.53Å; S83-S86 PolarHBondContact O-N 3.09Å; I84-S86 VanDerWaalsContact C-N 3.35Å; S86-P88 VanDerWaalsContact C-CD 3.41Å; S86-P88 VanDerWaalsContact C-N 3.3Å; S86-S89 WeakPolarHBondContact CB-OG 3.43Å; S86-S89 PolarHBondContact O-N 2.91Å; S86-S89 PolarHBondContact O-OG 3.42Å; S86-Y90 PolarHBondContact O-N 2.68Å
87P98.5Very high98.6Very high17 Ų1726.3 Ų26.311%0.1113%0.131CC..Hα-helixtrans-53.3-37174.3-27.737.6000115S89 Y90 E91 L129 Q134 A135 I137P87-S89 VanDerWaalsContact C-N 3.31Å; P87-S89 PolarHBondContact O-N 2.97Å; P87-Y90 WeakPolarHBondContact O-CB 3.41Å; P87-Y90 PolarHBondContact O-N 3.11Å; P87-Y90 VanDerWaalsContact O-N 3.13Å; P87-E91 PolarHBondContact O-N 3.06Å; P87-E91 VanDerWaalsContact O-N 3.12Å; P87-L129 HydrophobicContact CG-CD2 4.22Å; P87-Q134 HydrophobicContact CG-CB 4.19Å; P87-A135 VanDerWaalsContact CG-O 3.3Å; P87-A135 WeakPolarHBondContact CG-O 3.43Å; P87-I137 HydrophobicContact CB-CD1 4.14Å; P87-I137 HydrophobicContact CG-CD1 4.29Å
88P98.4Very high98.6Very high62 Ų6228.4 Ų28.440%0.40314%0.141SC..Hα-helixtrans-57.5-41.3172.6-2736.4000113.4S86 Y90 E91 N92S86-P88 VanDerWaalsContact C-CD 3.41Å; S86-P88 VanDerWaalsContact C-N 3.3Å; P88-Y90 PolarHBondContact O-N 2.87Å; P88-E91 PolarHBondContact O-N 3.26Å; P88-N92 VanDerWaalsContact O-CG 3.29Å; P88-N92 PolarHBondContact O-N 2.87Å; P88-N92 PolarHBondContact O-ND2 2.85Å
89S98.8Very high98.6Very high1 Ų131.2 Ų31.21%0.00716%0.159CC..Hα-helixtrans-66.6-28178.672.70000113.4D11 F82 S83 S86 P87D11-S89 VanDerWaalsContact OD2-CA 3.26Å; D11-S89 WeakPolarHBondContact OD2-CA 3.42Å; D11-S89 WeakPolarHBondContact OD2-CB 3.38Å; F82-S89 WeakPolarHBondContact CB-O 3.5Å; S83-S89 PolarHBondContact N-OG 2.8Å; S86-S89 WeakPolarHBondContact CB-OG 3.43Å; S86-S89 PolarHBondContact O-N 2.91Å; S86-S89 PolarHBondContact O-OG 3.42Å; P87-S89 VanDerWaalsContact C-N 3.31Å; P87-S89 PolarHBondContact O-N 2.97Å
90Y98.8Very high98.5Very high17 Ų1732.5 Ų32.57%0.06717%0.165CC..Hα-helixtrans-69.7-43.8173.1164.3-87.6000111.2F82 S86 P87 P88 N92 V93 I137 Q141 L145F82-Y90 HydrophobicContact CD2-CD2 4.19Å; F82-Y90 HydrophobicContact CE1-CD2 4.25Å; F82-Y90 AromaticContact CE2-CD2 3.88Å; F82-Y90 HydrophobicContact CE2-CD2 3.88Å; F82-Y90 AromaticContact CZ-CD2 3.89Å; F82-Y90 HydrophobicContact CZ-CD2 3.89Å; S86-Y90 PolarHBondContact O-N 2.68Å; P87-Y90 WeakPolarHBondContact O-CB 3.41Å; P87-Y90 PolarHBondContact O-N 3.11Å; P87-Y90 VanDerWaalsContact O-N 3.13Å; P88-Y90 PolarHBondContact O-N 2.87Å; Y90-N92 VanDerWaalsContact C-N 3.34Å; Y90-N92 PolarHBondContact O-N 2.97Å; Y90-V93 VanDerWaalsContact O-CB 3.32Å; Y90-V93 WeakPolarHBondContact O-CB 3.5Å; Y90-V93 PolarHBondContact O-N 3.21Å; Y90-I137 HydrophobicContact CD1-CD1 3.96Å; Y90-I137 HydrophobicContact CD2-CD1 4.2Å; Y90-I137 HydrophobicContact CD2-CG1 4.22Å; Y90-I137 HydrophobicContact CD2-CG2 3.83Å; Y90-I137 HydrophobicContact CE2-CG2 4.07Å; Y90-I137 HydrophobicContact CG-CD1 3.75Å; Y90-I137 HydrophobicContact CG-CG1 4.04Å; Y90-I137 HydrophobicContact CG-CG2 4.45Å; Y90-Q141 HydrophobicContact CE2-CB 4.28Å; Y90-Q141 PolarHBondContact OH-O 2.94Å; Y90-L145 HydrophobicContact CD2-CD2 3.48Å; Y90-L145 VanDerWaalsContact CD2-CD2 3.48Å; Y90-L145 HydrophobicContact CE1-CD2 4.5Å; Y90-L145 HydrophobicContact CE2-CB 3.63Å; Y90-L145 HydrophobicContact CE2-CD2 3.29Å; Y90-L145 HydrophobicContact CE2-CG 4.07Å; Y90-L145 HydrophobicContact CG-CD2 4.2Å
91E98.6Very high98.5Very high84 Ų8432.5 Ų32.539%0.39317%0.165SC..Hα-helixtrans-65.4-38.9176.4-64.5-56150.700111.7P87 P88 V93 R94 H95P87-E91 PolarHBondContact O-N 3.06Å; P87-E91 VanDerWaalsContact O-N 3.12Å; P88-E91 PolarHBondContact O-N 3.26Å; E91-V93 PolarHBondContact O-N 2.7Å; E91-V93 VanDerWaalsContact O-N 3.11Å; E91-R94 WeakPolarHBondContact O-CB 3.48Å; E91-R94 PolarHBondContact O-N 3.19Å; E91-H95 PolarHBondContact O-CD2 2.98Å; E91-H95 PolarHBondContact O-N 2.83Å
92N98.8Very high98.4Very high56 Ų5634.5 Ų34.530%0.29918%0.179SC..Hα-helixtrans-61.2-21.4177.6-73.5-18.1000113.5D11 P88 Y90 R94 H95 K96 W97D11-N92 WeakPolarHBondContact OD1-CB 3.33Å; D11-N92 PolarHBondContact OD1-ND2 2.97Å; D11-N92 PolarHBondContact OD2-ND2 2.96Å; P88-N92 VanDerWaalsContact O-CG 3.29Å; P88-N92 PolarHBondContact O-N 2.87Å; P88-N92 PolarHBondContact O-ND2 2.85Å; Y90-N92 VanDerWaalsContact C-N 3.34Å; Y90-N92 PolarHBondContact O-N 2.97Å; N92-R94 VanDerWaalsContact C-N 3.3Å; N92-R94 PolarHBondContact O-N 3.21Å; N92-H95 PolarHBondContact O-N 3.13Å; N92-K96 WeakPolarHBondContact O-CA 3.45Å; N92-K96 WeakPolarHBondContact O-CB 3.27Å; N92-K96 PolarHBondContact O-N 2.68Å; N92-W97 PolarHBondContact O-N 2.84Å; N92-W97 VanDerWaalsContact O-N 3.11Å
93V98.8Very high98.4Very high0 Ų041.5 Ų41.50%021%0.211CC..Iπ-helixtrans-57.2-47.3170.41740000110.6I80 F82 Y90 E91 H98 L112 L145 I149I80-V93 HydrophobicContact CG2-CG1 4.04Å; I80-V93 HydrophobicContact CG2-CG2 4.03Å; F82-V93 HydrophobicContact CB-CG2 3.98Å; F82-V93 HydrophobicContact CD1-CG2 4.18Å; F82-V93 HydrophobicContact CG-CG2 4.43Å; Y90-V93 VanDerWaalsContact O-CB 3.32Å; Y90-V93 WeakPolarHBondContact O-CB 3.5Å; Y90-V93 PolarHBondContact O-N 3.21Å; E91-V93 PolarHBondContact O-N 2.7Å; E91-V93 VanDerWaalsContact O-N 3.11Å; V93-H98 VanDerWaalsContact O-CB 3.24Å; V93-H98 WeakPolarHBondContact O-CB 3.33Å; V93-H98 PolarHBondContact O-N 3.06Å; V93-L112 HydrophobicContact CG1-CD1 3.83Å; V93-L112 HydrophobicContact CG2-CD1 4.11Å; V93-L145 HydrophobicContact CB-CD2 3.87Å; V93-L145 HydrophobicContact CG1-CD1 4.47Å; V93-L145 HydrophobicContact CG1-CD2 3.9Å; V93-L145 HydrophobicContact CG1-CG 4.33Å; V93-L145 HydrophobicContact CG2-CD2 4.25Å; V93-I149 HydrophobicContact CG1-CD1 3.78Å
94R97.8Very high98.3Very high105 Ų10545.4 Ų45.440%0.39623%0.228SC..Iπ-helixtrans-71.7-40-179.6-176.7-170.2-64.3-125.13.2111.7E91 N92 P99 L145 Q148E91-R94 WeakPolarHBondContact O-CB 3.48Å; E91-R94 PolarHBondContact O-N 3.19Å; N92-R94 VanDerWaalsContact C-N 3.3Å; N92-R94 PolarHBondContact O-N 3.21Å; R94-P99 VanDerWaalsContact O-CD 3.23Å; R94-P99 WeakPolarHBondContact O-CD 3.34Å; R94-P99 WeakPolarHBondContact O-CG 3.47Å; R94-L145 HydrophobicContact CB-CD1 4.43Å; R94-Q148 VanDerWaalsContact NH2-NE2 3.19Å
95H97.6Very high98.2Very high129 Ų12946.2 Ų46.260%0.59723%0.234SC*.Iπ-helixtrans-88.7-25-168.7-65-60.3000114.3E91 N92E91-H95 PolarHBondContact O-CD2 2.98Å; E91-H95 PolarHBondContact O-N 2.83Å; N92-H95 PolarHBondContact O-N 3.13Å
96K98.1Very high98.1Very high33 Ų3350.4 Ų50.414%0.14326%0.261CS..Iπ-helixtrans-127.4-62.9-175.5-176.3-179.8177.9980112.1E62 D65 N92 P99 E100E62-K96 IonicContact OE1-NZ 3.81Å; E62-K96 PolarHBondContact OE1-NZ 3.2Å; D65-K96 IonicContact OD1-NZ 2.97Å; D65-K96 PolarHBondContact OD1-NZ 3.31Å; D65-K96 IonicContact OD2-NZ 3.76Å; D65-K96 PolarHBondContact OD2-NZ 2.87Å; N92-K96 WeakPolarHBondContact O-CA 3.45Å; N92-K96 WeakPolarHBondContact O-CB 3.27Å; N92-K96 PolarHBondContact O-N 2.68Å; K96-P99 WeakPolarHBondContact O-CD 3.17Å; K96-E100 VanDerWaalsContact O-CB 3.28Å; K96-E100 WeakPolarHBondContact O-CB 3.23Å; K96-E100 PolarHBondContact O-N 2.79Å
97W98.7Very high97.9Very high1 Ų153.2 Ų53.20%0.00427%0.273CS..Iπ-helixtrans-69.2-47.3-164.5-60.4108.4000114.2V9 G10 D11 I80 N92 E100 V101V9-W97 HydrophobicContact CB-CE3 3.76Å; V9-W97 HydrophobicContact CB-CZ3 3.96Å; V9-W97 HydrophobicContact CG2-CE3 4.02Å; G10-W97 WeakPolarHBondContact O-CH2 3.31Å; G10-W97 WeakPolarHBondContact O-CZ2 3.2Å; D11-W97 PolarHBondContact OD1-NE1 2.99Å; I80-W97 HydrophobicContact CD1-CB 4.39Å; I80-W97 HydrophobicContact CG2-CB 3.65Å; I80-W97 HydrophobicContact CG2-CG 4.25Å; N92-W97 PolarHBondContact O-N 2.84Å; N92-W97 VanDerWaalsContact O-N 3.11Å; W97-E100 PolarHBondContact O-N 2.98Å; W97-V101 WeakPolarHBondContact O-CB 3.42Å; W97-V101 WeakPolarHBondContact O-CG2 3.29Å; W97-V101 PolarHBondContact O-N 2.89Å
98H98.6Very high97.8Very high43 Ų4353.8 Ų53.820%0.19928%0.276CS..Hα-helixtrans-65-49.2177.3168.1-102.2000111.9I80 V93 E100 V101 C102 I149I80-H98 HydrophobicContact CD1-CB 4.29Å; V93-H98 VanDerWaalsContact O-CB 3.24Å; V93-H98 WeakPolarHBondContact O-CB 3.33Å; V93-H98 PolarHBondContact O-N 3.06Å; H98-E100 VanDerWaalsContact C-N 3.32Å; H98-E100 PolarHBondContact O-N 3.03Å; H98-V101 PolarHBondContact O-N 3.42Å; H98-C102 PolarHBondContact CD2-SG 3.35Å; H98-C102 PolarHBondContact NE2-SG 2.96Å; H98-C102 WeakPolarHBondContact O-CB 3.37Å; H98-C102 PolarHBondContact O-N 2.79Å; H98-C102 PolarHBondContact O-SG 2.76Å; H98-C102 VanDerWaalsContact O-SG 3.41Å; H98-I149 HydrophobicContact CB-CB 4.31Å; H98-I149 HydrophobicContact CB-CG2 4.14Å; H98-I149 PolarHBondContact NE2-O 2.89Å
99P98.4Very high97.8Very high59 Ų5952.5 Ų52.538%0.38327%0.268SS..Hα-helixtrans-54.4-43.5173.5-27.934.8000114R94 K96 H103R94-P99 VanDerWaalsContact O-CD 3.23Å; R94-P99 WeakPolarHBondContact O-CD 3.34Å; R94-P99 WeakPolarHBondContact O-CG 3.47Å; K96-P99 WeakPolarHBondContact O-CD 3.17Å; P99-H103 VanDerWaalsContact O-CB 3.27Å; P99-H103 WeakPolarHBondContact O-CB 3.35Å; P99-H103 PolarHBondContact O-N 2.99Å
100E98.4Very high97.8Very high27 Ų2753 Ų5313%0.12627%0.27CS..Hα-helixtrans-63.6-49.7179.2-173.6-177.811500111.7R68 Y72 K96 W97 H98 C102 H103 H104R68-E100 IonicContact CZ-OE1 2.72Å; R68-E100 IonicContact CZ-OE2 2.91Å; R68-E100 IonicContact NE-OE1 2.96Å; R68-E100 PolarHBondContact NE-OE1 3.47Å; R68-E100 IonicContact NE-OE2 2.68Å; R68-E100 IonicContact NH2-OE1 3.32Å; R68-E100 PolarHBondContact NH2-OE1 3.35Å; R68-E100 VanDerWaalsContact NH2-OE1 3.17Å; R68-E100 IonicContact NH2-OE2 3.95Å; R68-E100 PolarHBondContact NH2-OE2 3.01Å; Y72-E100 HydrophobicContact CE2-CG 4.22Å; Y72-E100 PolarHBondContact OH-OE1 3.44Å; K96-E100 VanDerWaalsContact O-CB 3.28Å; K96-E100 WeakPolarHBondContact O-CB 3.23Å; K96-E100 PolarHBondContact O-N 2.79Å; W97-E100 PolarHBondContact O-N 2.98Å; H98-E100 VanDerWaalsContact C-N 3.32Å; H98-E100 PolarHBondContact O-N 3.03Å; E100-C102 PolarHBondContact O-N 2.55Å; E100-H103 PolarHBondContact O-N 3.21Å; E100-H104 PolarHBondContact O-CD2 2.55Å; E100-H104 PolarHBondContact O-N 3.31Å
101V98.2Very high97.8Very high0 Ų052.1 Ų52.10%027%0.267CS..Hα-helixtrans-60.8-46.1178.2169.70000110.8V9 F78 I80 W97 H98 H103 H104 C105 I110V9-V101 HydrophobicContact CG2-CG2 3.96Å; F78-V101 HydrophobicContact CB-CG1 4.16Å; F78-V101 HydrophobicContact CD1-CG1 4.11Å; F78-V101 HydrophobicContact CD1-CG2 3.9Å; F78-V101 HydrophobicContact CD2-CG1 3.5Å; F78-V101 VanDerWaalsContact CD2-CG1 3.5Å; F78-V101 HydrophobicContact CE1-CG1 4.39Å; F78-V101 HydrophobicContact CE1-CG2 4.16Å; F78-V101 HydrophobicContact CE2-CG1 3.85Å; F78-V101 HydrophobicContact CG-CG1 3.65Å; F78-V101 HydrophobicContact CG-CG2 4.21Å; F78-V101 HydrophobicContact CZ-CG1 4.27Å; I80-V101 HydrophobicContact CD1-CG2 4.27Å; I80-V101 HydrophobicContact CG1-CG2 4.49Å; W97-V101 WeakPolarHBondContact O-CB 3.42Å; W97-V101 WeakPolarHBondContact O-CG2 3.29Å; W97-V101 PolarHBondContact O-N 2.89Å; H98-V101 PolarHBondContact O-N 3.42Å; V101-H103 VanDerWaalsContact C-N 3.33Å; V101-H103 PolarHBondContact O-N 3.48Å; V101-H104 PolarHBondContact O-N 2.84Å; V101-C105 CarbonylContact O-C 3.6Å; V101-C105 WeakPolarHBondContact O-CA 3.46Å; V101-C105 WeakPolarHBondContact O-CB 3.34Å; V101-C105 PolarHBondContact O-N 2.85Å; V101-I110 HydrophobicContact CB-CD1 4.49Å; V101-I110 HydrophobicContact CG1-CD1 3.79Å; V101-I110 HydrophobicContact CG1-CG1 4.06Å
102C97.5Very high97.8Very high42 Ų4248.1 Ų48.128%0.28425%0.248SC..Hα-helixtrans-68.5-30.9-179.8-71.20000113.3H98 E100 P106H98-C102 PolarHBondContact CD2-SG 3.35Å; H98-C102 PolarHBondContact NE2-SG 2.96Å; H98-C102 WeakPolarHBondContact O-CB 3.37Å; H98-C102 PolarHBondContact O-N 2.79Å; H98-C102 PolarHBondContact O-SG 2.76Å; H98-C102 VanDerWaalsContact O-SG 3.41Å; E100-C102 PolarHBondContact O-N 2.55Å; C102-P106 WeakPolarHBondContact O-CA 3.04Å; C102-P106 WeakPolarHBondContact O-CB 3.33Å
103H97.6Very high97.8Very high148 Ų14845.5 Ų45.569%0.68523%0.234SC*.Hα-helixtrans-64.2-43.6174.9179.169.7000111.6P99 E100 V101P99-H103 VanDerWaalsContact O-CB 3.27Å; P99-H103 WeakPolarHBondContact O-CB 3.35Å; P99-H103 PolarHBondContact O-N 2.99Å; E100-H103 PolarHBondContact O-N 3.21Å; V101-H103 VanDerWaalsContact C-N 3.33Å; V101-H103 PolarHBondContact O-N 3.48Å
104H97.8Very high97.8Very high87 Ų8745.5 Ų45.540%0.40323%0.234SC..Hα-helixtrans-88.5-29.3-177.1-73.8-75.7000114.3T69 Y72 E100 V101T69-H104 WeakPolarHBondContact CG2-NE2 3.4Å; Y72-H104 HydrophobicContact CD2-CB 3.64Å; Y72-H104 AromaticContact CD2-CD2 3.96Å; Y72-H104 AromaticContact CD2-CG 3.81Å; Y72-H104 HydrophobicContact CE2-CB 4.34Å; Y72-H104 AromaticContact CE2-CD2 3.98Å; E100-H104 PolarHBondContact O-CD2 2.55Å; E100-H104 PolarHBondContact O-N 3.31Å; V101-H104 PolarHBondContact O-N 2.84Å
105C97Very high97.9Very high17 Ų1740.7 Ų40.712%0.11522%0.216CC..  trans-143.966.1-169.4-720000111.4F78 V101 D107 V108F78-C105 HydrophobicContact CE2-CB 3.53Å; F78-C105 HydrophobicContact CZ-CB 4.1Å; V101-C105 CarbonylContact O-C 3.6Å; V101-C105 WeakPolarHBondContact O-CA 3.46Å; V101-C105 WeakPolarHBondContact O-CB 3.34Å; V101-C105 PolarHBondContact O-N 2.85Å; C105-D107 VanDerWaalsContact C-N 3.29Å; C105-D107 PolarHBondContact O-N 3.17Å; C105-V108 HydrophobicContact CB-CB 4.12Å; C105-V108 HydrophobicContact CB-CG2 3.74Å; C105-V108 PolarHBondContact O-N 3.34Å
106P95.4Very high97.9Very high91 Ų9137.9 Ų37.959%0.59120%0.202SC*.THydrogen-bonded Turntrans-64.7-25.6-168.324.4-35.5000115.3C102C102-P106 WeakPolarHBondContact O-CA 3.04Å; C102-P106 WeakPolarHBondContact O-CB 3.33Å
107D93.8Very high97.9Very high98 Ų9839.5 Ų39.552%0.52421%0.209SC..THydrogen-bonded Turntrans-103.31.4-175.3-67.5-49.7000113.6C105 R184C105-D107 VanDerWaalsContact C-N 3.29Å; C105-D107 PolarHBondContact O-N 3.17Å; D107-R184 IonicContact OD1-CZ 3.28Å; D107-R184 IonicContact OD1-NH2 2.69Å; D107-R184 PolarHBondContact OD1-NH2 3.25Å; D107-R184 IonicContact OD2-NH2 2.69Å
108V97.4Very high97.9Very high30 Ų3041 Ų4118%0.18222%0.218CC..SBendtrans-84.3129.2-177.4-178.50000109.6T75 F78 C105T75-V108 HydrophobicContact CG2-CG1 4.15Å; T75-V108 WeakPolarHBondContact O-CG2 3.39Å; F78-V108 HydrophobicContact CD2-CB 3.96Å; F78-V108 HydrophobicContact CD2-CG1 3.49Å; F78-V108 VanDerWaalsContact CD2-CG1 3.49Å; F78-V108 HydrophobicContact CE2-CB 4.02Å; F78-V108 HydrophobicContact CE2-CG1 3.8Å; F78-V108 HydrophobicContact CE2-CG2 4.4Å; C105-V108 HydrophobicContact CB-CB 4.12Å; C105-V108 HydrophobicContact CB-CG2 3.74Å; C105-V108 PolarHBondContact O-N 3.34Å
109P97.9Very high97.9Very high34 Ų3440.6 Ų40.622%0.22122%0.217CC..  trans-62.6143.5179.225.4-34.9000112N76 V77 F78 V152 A175N76-P109 WeakPolarHBondContact O-CD 3.37Å; N76-P109 WeakPolarHBondContact O-CG 3.49Å; V77-P109 HydrophobicContact CB-CG 4.31Å; V77-P109 HydrophobicContact CG2-CG 4.3Å; F78-P109 PolarHBondContact N-O 3.01Å; P109-V152 HydrophobicContact CB-CG1 3.74Å; P109-A175 HydrophobicContact CB-CB 4.3Å; P109-A175 HydrophobicContact CG-CB 4.45Å
110I98.6Very high97.9Very high11 Ų1140.5 Ų40.56%0.05621%0.208CC..EExtended strand (participates in β ladder)trans-117.9128.9-178-61.9171.9000109.5F78 I80 V101 A151 V152F78-I110 HydrophobicContact CB-CG1 4.29Å; I80-I110 HydrophobicContact CB-CG2 4.49Å; I80-I110 HydrophobicContact CD1-CD1 4.35Å; I80-I110 HydrophobicContact CD1-CG2 3.6Å; I80-I110 HydrophobicContact CG1-CG2 3.8Å; V101-I110 HydrophobicContact CB-CD1 4.49Å; V101-I110 HydrophobicContact CG1-CD1 3.79Å; V101-I110 HydrophobicContact CG1-CG1 4.06Å; I110-A151 HydrophobicContact CG2-CB 4.41Å; I110-A151 CarbonylContact O-C 3.56Å; I110-A151 VanDerWaalsContact O-CA 3.23Å; I110-A151 WeakPolarHBondContact O-CA 3.45Å; I110-A151 WeakPolarHBondContact O-CB 3.42Å; I110-V152 WeakPolarHBondContact O-CG2 3.47Å; I110-V152 PolarHBondContact O-N 3.49Å
111L98.7Very high97.8Very high0 Ų043 Ų430%023%0.234CC..EExtended strand (participates in β ladder)trans-98.3137.1162.7-78.474.3000109.2V77 F78 V79 I80 V152 R153 L155 E171 A172 A175V77-L111 HydrophobicContact CG2-CD1 3.53Å; F78-L111 PolarHBondContact O-N 2.78Å; V79-L111 HydrophobicContact CG2-CB 4.38Å; I80-L111 PolarHBondContact N-O 2.96Å; L111-V152 HydrophobicContact CD1-CG2 3.51Å; L111-V152 HydrophobicContact CG-CG2 3.93Å; L111-R153 HydrophobicContact CG-CB 4.47Å; L111-L155 HydrophobicContact CD2-CD1 3.92Å; L111-E171 HydrophobicContact CD2-CB 3.77Å; L111-A172 HydrophobicContact CD1-CB 4.4Å; L111-A172 HydrophobicContact CD2-CB 4.04Å; L111-A175 HydrophobicContact CD1-CB 4.03Å
112L98.9Very high97.8Very high0 Ų046.1 Ų46.10%025%0.249CC..EExtended strand (participates in β ladder)trans-98.8126.5169.8-17864.6000109.3F82 V93 L145 A146 I149 A151 R153 Y154 L155F82-L112 HydrophobicContact CD1-CD1 3.79Å; F82-L112 HydrophobicContact CD1-CG 4.31Å; F82-L112 HydrophobicContact CE1-CD1 3.92Å; F82-L112 HydrophobicContact CE1-CD2 4.17Å; F82-L112 HydrophobicContact CE1-CG 3.92Å; V93-L112 HydrophobicContact CG1-CD1 3.83Å; V93-L112 HydrophobicContact CG2-CD1 4.11Å; L112-L145 HydrophobicContact CD1-CD2 4.4Å; L112-L145 HydrophobicContact CD2-CB 3.91Å; L112-L145 HydrophobicContact CD2-CD2 3.85Å; L112-L145 HydrophobicContact CD2-CG 3.75Å; L112-A146 HydrophobicContact CB-CB 4.28Å; L112-A146 HydrophobicContact CD2-CB 3.9Å; L112-I149 HydrophobicContact CB-CD1 4.31Å; L112-I149 HydrophobicContact CD1-CD1 4.12Å; L112-I149 HydrophobicContact CD2-CD1 4.32Å; L112-I149 HydrophobicContact CG-CD1 4.49Å; L112-A151 HydrophobicContact CB-CB 4.08Å; L112-R153 PolarHBondContact N-O 2.99Å; L112-Y154 HydrophobicContact CB-CD2 4.12Å; L112-Y154 HydrophobicContact CD2-CD2 3.88Å; L112-Y154 HydrophobicContact CD2-CE2 4.34Å; L112-Y154 HydrophobicContact CG-CD2 3.84Å; L112-Y154 HydrophobicContact CG-CE2 4.27Å; L112-Y154 WeakPolarHBondContact O-CA 3.36Å; L112-Y154 WeakPolarHBondContact O-CD2 3.35Å; L112-L155 PolarHBondContact O-N 3.41Å
113V98.9Very high97.8Very high0 Ų048.7 Ų48.70%027%0.265CS..EExtended strand (participates in β ladder)trans-126119.4-176.3179.60000111.4L19 V79 I80 C81 F82 T115 L155 V168L19-V113 HydrophobicContact CD2-CG1 4.41Å; V79-V113 HydrophobicContact CG1-CB 4.05Å; V79-V113 HydrophobicContact CG1-CG2 3.53Å; I80-V113 PolarHBondContact O-N 2.8Å; C81-V113 WeakPolarHBondContact CA-O 3.26Å; F82-V113 PolarHBondContact N-O 2.64Å; V113-T115 HydrophobicContact CG1-CG2 4.14Å; V113-L155 CarbonylContact C-O 3.41Å; V113-L155 WeakPolarHBondContact CA-O 3.32Å; V113-L155 HydrophobicContact CG2-CB 4.45Å; V113-V168 HydrophobicContact CG1-CG2 3.95Å; V113-V168 HydrophobicContact CG2-CG1 3.9Å; V113-V168 HydrophobicContact CG2-CG2 4.04Å
114G98.9Very high97.8Very high0 Ų046.9 Ų46.90%026%0.26CS..EExtended strand (participates in β ladder)trans-85.5104.7167.700000110.8F82 I84 L155 E156 C157F82-G114 CarbonylContact O-C 3.57Å; F82-G114 WeakPolarHBondContact O-CA 3.15Å; I84-G114 WeakPolarHBondContact CD1-O 3.45Å; G114-L155 PolarHBondContact N-O 2.8Å; G114-E156 CarbonylContact O-C 3.47Å; G114-E156 VanDerWaalsContact O-CA 3.22Å; G114-E156 WeakPolarHBondContact O-CA 3.24Å; G114-C157 PolarHBondContact O-N 3.26Å
115T98.8Very high97.8Very high4 Ų443.1 Ų43.13%0.02524%0.244CC..EExtended strand (participates in β ladder)trans-85167.5178.561.30000111.6V14 C81 F82 S83 I84 V113 K117 C157V14-T115 WeakPolarHBondContact O-CB 3.38Å; V14-T115 PolarHBondContact O-OG1 3.24Å; C81-T115 HydrophobicContact CB-CG2 4.11Å; F82-T115 PolarHBondContact O-N 3.3Å; F82-T115 PolarHBondContact O-OG1 2.9Å; S83-T115 WeakPolarHBondContact CA-OG1 3.2Å; I84-T115 WeakPolarHBondContact CB-O 3.39Å; I84-T115 PolarHBondContact N-O 3.37Å; V113-T115 HydrophobicContact CG1-CG2 4.14Å; T115-K117 VanDerWaalsContact C-N 3.32Å; T115-K117 PolarHBondContact O-N 3.49Å; T115-C157 CarbonylContact C-O 3.47Å
116K98.5Very high97.9Very high71 Ų7146 Ų4631%0.30926%0.257SS..  trans58.141.9178.3-45-168.2-169.7-175.90113A13 V14 D118 L119 C157A13-K116 VanDerWaalsContact O-CE 3.31Å; A13-K116 WeakPolarHBondContact O-CE 3.42Å; A13-K116 PolarHBondContact O-NZ 3.02Å; V14-K116 VanDerWaalsContact O-CE 3.23Å; V14-K116 WeakPolarHBondContact O-CE 3.47Å; K116-D118 WeakPolarHBondContact CA-OD1 3.17Å; K116-D118 PolarHBondContact O-N 2.72Å; K116-L119 HydrophobicContact CB-CD1 3.69Å; K116-L119 HydrophobicContact CB-CG 3.97Å; K116-L119 HydrophobicContact CD-CD1 3.72Å; K116-L119 HydrophobicContact CG-CD1 4.35Å; K116-L119 WeakPolarHBondContact O-CB 3.42Å; K116-L119 PolarHBondContact O-N 3.4Å; K116-C157 PolarHBondContact N-O 3Å
117K98.8Very high98Very high66 Ų6649.6 Ų49.629%0.28726%0.259SS..G310 helixtrans-53.7-33.5179-178.4-174.1171.5-164.60113.5I84 T115 L119 R120 E156 C157 D163I84-K117 VanDerWaalsContact CD1-CA 3.44Å; I84-K117 HydrophobicContact CD1-CB 3.73Å; I84-K117 HydrophobicContact CD1-CG 4.18Å; T115-K117 VanDerWaalsContact C-N 3.32Å; T115-K117 PolarHBondContact O-N 3.49Å; K117-L119 PolarHBondContact O-N 3.06Å; K117-R120 WeakPolarHBondContact O-CB 3.4Å; K117-R120 PolarHBondContact O-N 2.96Å; K117-R120 VanDerWaalsContact O-N 3.13Å; K117-E156 HydrophobicContact CD-CB 4Å; K117-E156 HydrophobicContact CG-CB 4.38Å; K117-C157 WeakPolarHBondContact CB-O 3.36Å; K117-C157 PolarHBondContact N-O 3.07Å; K117-D163 WeakPolarHBondContact CD-OD2 3.48Å; K117-D163 WeakPolarHBondContact CE-OD2 3.35Å; K117-D163 IonicContact NZ-OD1 3.01Å; K117-D163 IonicContact NZ-OD2 3.84Å; K117-D163 PolarHBondContact NZ-OD2 2.7Å
118D98.3Very high98.2Very high34 Ų3449.9 Ų49.918%0.18225%0.253CS..G310 helixtrans-54.7-31.8174.853.2-75.6000113.2K116 R120 S158 Q161K116-D118 WeakPolarHBondContact CA-OD1 3.17Å; K116-D118 PolarHBondContact O-N 2.72Å; D118-R120 VanDerWaalsContact C-N 3.27Å; D118-R120 PolarHBondContact O-N 3.32Å; D118-S158 VanDerWaalsContact CG-OG 3.26Å; D118-S158 WeakPolarHBondContact OD1-CB 3.32Å; D118-S158 PolarHBondContact OD1-OG 2.91Å; D118-Q161 HydrophobicContact CB-CG 4.06Å
119L98.3Very high98.2Very high34 Ų3448.5 Ų48.518%0.17824%0.244CC..G310 helixtrans-75.5-12.6-177.8-58.5-176.5000113.6A85 K116 K117 A121 Q122 T125A85-L119 HydrophobicContact CB-CB 3.71Å; A85-L119 HydrophobicContact CB-CD1 3.64Å; A85-L119 HydrophobicContact CB-CG 4.35Å; K116-L119 HydrophobicContact CB-CD1 3.69Å; K116-L119 HydrophobicContact CB-CG 3.97Å; K116-L119 HydrophobicContact CD-CD1 3.72Å; K116-L119 HydrophobicContact CG-CD1 4.35Å; K116-L119 WeakPolarHBondContact O-CB 3.42Å; K116-L119 PolarHBondContact O-N 3.4Å; K117-L119 PolarHBondContact O-N 3.06Å; L119-A121 PolarHBondContact O-N 2.91Å; L119-Q122 HydrophobicContact CD2-CB 4.45Å; L119-Q122 PolarHBondContact O-N 3.36Å; L119-T125 HydrophobicContact CB-CG2 4.23Å; L119-T125 WeakPolarHBondContact O-CB 3.37Å; L119-T125 WeakPolarHBondContact O-CG2 3.37Å
120R98.1Very high98.2Very high56 Ų5655.1 Ų55.121%0.21127%0.27CS..G310 helixtrans-58.9-37.6-178.9-176.6174-68127.3-5.5112.7I84 K117 D118 P136 I137 E156I84-R120 VanDerWaalsContact CD1-NH2 3.31Å; I84-R120 HydrophobicContact CG2-CB 3.92Å; I84-R120 HydrophobicContact CG2-CG 4.43Å; K117-R120 WeakPolarHBondContact O-CB 3.4Å; K117-R120 PolarHBondContact O-N 2.96Å; K117-R120 VanDerWaalsContact O-N 3.13Å; D118-R120 VanDerWaalsContact C-N 3.27Å; D118-R120 PolarHBondContact O-N 3.32Å; R120-P136 HydrophobicContact CG-CB 4.16Å; R120-I137 PolarHBondContact NE-O 3Å; R120-I137 PolarHBondContact NH2-O 3.47Å; R120-E156 IonicContact CZ-OE1 3.52Å; R120-E156 IonicContact CZ-OE2 3.37Å; R120-E156 VanDerWaalsContact CZ-OE2 3.28Å; R120-E156 IonicContact NH1-OE1 3.92Å; R120-E156 IonicContact NH1-OE2 2.64Å; R120-E156 PolarHBondContact NH1-OE2 3.24Å; R120-E156 IonicContact NH2-OE1 3.3Å; R120-E156 PolarHBondContact NH2-OE1 3.49Å; R120-E156 IonicContact NH2-OE2 2.8Å; R120-E156 PolarHBondContact NH2-OE2 2.83Å
121A96.5Very high98.2Very high81 Ų8160.9 Ų60.967%0.66930%0.296SS*.G310 helixtrans-105.74-178.700000112.9L119 P123L119-A121 PolarHBondContact O-N 2.91Å; A121-P123 WeakPolarHBondContact O-CD 3.44Å
122Q97.8Very high98.1Very high64 Ų6466.1 Ų66.130%0.29932%0.321SS..  trans-73.6124.8-177-169.6-144.5-0.100110.2L119 D124 T125 L126L119-Q122 HydrophobicContact CD2-CB 4.45Å; L119-Q122 PolarHBondContact O-N 3.36Å; Q122-D124 VanDerWaalsContact C-N 3.35Å; Q122-D124 PolarHBondContact NE2-OD2 2.84Å; Q122-D124 PolarHBondContact O-N 3.48Å; Q122-T125 PolarHBondContact O-N 2.86Å; Q122-T125 VanDerWaalsContact O-N 3.15Å; Q122-T125 PolarHBondContact OE1-OG1 2.9Å; Q122-L126 WeakPolarHBondContact O-CG 3.45Å; Q122-L126 PolarHBondContact O-N 3.26Å
123P98.1Very high98.1Very high96 Ų9669.6 Ų69.662%0.62336%0.357SS*.Hα-helixtrans-54.2-43.7-176.4-29.536.1000114.6A121 L126 R127A121-P123 WeakPolarHBondContact O-CD 3.44Å; P123-L126 PolarHBondContact O-N 3.38Å; P123-R127 WeakPolarHBondContact O-CB 3.33Å; P123-R127 PolarHBondContact O-N 3.37Å
124D97.8Very high98Very high111 Ų11173.1 Ų73.159%0.59437%0.373SS*.Hα-helixtrans-67.6-39.3-179.2-57.1-43.3000112.1Q122 R127 R128Q122-D124 VanDerWaalsContact C-N 3.35Å; Q122-D124 PolarHBondContact NE2-OD2 2.84Å; Q122-D124 PolarHBondContact O-N 3.48Å; D124-R127 PolarHBondContact O-N 3.46Å; D124-R128 WeakPolarHBondContact O-CB 3.46Å; D124-R128 PolarHBondContact O-N 3.38Å
125T97.6Very high98Very high8 Ų876.2 Ų76.25%0.04940%0.399CS..Hα-helixtrans-63.1-45.3174.5-73.90000110.8A85 L119 Q122 R127 R128 L129A85-T125 HydrophobicContact CB-CG2 3.63Å; L119-T125 HydrophobicContact CB-CG2 4.23Å; L119-T125 WeakPolarHBondContact O-CB 3.37Å; L119-T125 WeakPolarHBondContact O-CG2 3.37Å; Q122-T125 PolarHBondContact O-N 2.86Å; Q122-T125 VanDerWaalsContact O-N 3.15Å; Q122-T125 PolarHBondContact OE1-OG1 2.9Å; T125-R127 PolarHBondContact O-N 3.25Å; T125-R128 PolarHBondContact O-N 3.28Å; T125-L129 HydrophobicContact CG2-CD1 3.74Å; T125-L129 HydrophobicContact CG2-CG 4.41Å; T125-L129 WeakPolarHBondContact O-CB 3.45Å; T125-L129 WeakPolarHBondContact O-CG 3.33Å; T125-L129 PolarHBondContact O-N 3.17Å
126L98.3Very high98Very high77 Ų7776.7 Ų76.740%0.40340%0.402SS..Hα-helixtrans-60.9-44.4177.6-70.7172.4000111.6Q122 P123 K130 P136Q122-L126 WeakPolarHBondContact O-CG 3.45Å; Q122-L126 PolarHBondContact O-N 3.26Å; P123-L126 PolarHBondContact O-N 3.38Å; L126-K130 VanDerWaalsContact O-CB 3.24Å; L126-K130 WeakPolarHBondContact O-CB 3.49Å; L126-K130 PolarHBondContact O-N 3.43Å; L126-P136 HydrophobicContact CD2-CG 3.65Å
127R98.3Very high98Very high167 Ų16773.5 Ų73.563%0.6339%0.388SS*.Hα-helixtrans-61.5-52.5177.3-179.3-179.2171.1174.52.5111.5P123 D124 T125 L129 K130 E131P123-R127 WeakPolarHBondContact O-CB 3.33Å; P123-R127 PolarHBondContact O-N 3.37Å; D124-R127 PolarHBondContact O-N 3.46Å; T125-R127 PolarHBondContact O-N 3.25Å; R127-L129 PolarHBondContact O-N 3.21Å; R127-K130 PolarHBondContact O-N 2.57Å; R127-E131 WeakPolarHBondContact CG-OE1 2.87Å; R127-E131 IonicContact CZ-OE1 3.47Å; R127-E131 IonicContact NE-OE1 3.81Å; R127-E131 PolarHBondContact NE-OE1 3.39Å; R127-E131 IonicContact NH2-OE1 3.17Å; R127-E131 WeakPolarHBondContact O-CG 3.49Å; R127-E131 PolarHBondContact O-N 3Å
128R98Very high98Very high104 Ų10472.8 Ų72.839%0.39239%0.39SS..Hα-helixtrans-58.8-45.1-179.3-177.7-176.563.476.6-0.6112A85 D124 T125 E131 Q132A85-R128 PolarHBondContact O-NH2 3.35Å; A85-R128 VanDerWaalsContact O-NH2 3.09Å; D124-R128 WeakPolarHBondContact O-CB 3.46Å; D124-R128 PolarHBondContact O-N 3.38Å; T125-R128 PolarHBondContact O-N 3.28Å; R128-E131 PolarHBondContact O-N 3.36Å; R128-Q132 WeakPolarHBondContact O-CG 3.44Å; R128-Q132 PolarHBondContact O-N 2.93Å
129L98.1Very high98Very high1 Ų173.3 Ų73.31%0.00540%0.395CS..Hα-helixtrans-67-40.4178.7-72.3172.3000111.3P87 T125 R127 E131 Q132 G133 Q134 P136P87-L129 HydrophobicContact CG-CD2 4.22Å; T125-L129 HydrophobicContact CG2-CD1 3.74Å; T125-L129 HydrophobicContact CG2-CG 4.41Å; T125-L129 WeakPolarHBondContact O-CB 3.45Å; T125-L129 WeakPolarHBondContact O-CG 3.33Å; T125-L129 PolarHBondContact O-N 3.17Å; R127-L129 PolarHBondContact O-N 3.21Å; L129-E131 VanDerWaalsContact C-N 3.34Å; L129-E131 PolarHBondContact O-N 2.81Å; L129-Q132 CarbonylContact O-C 3.16Å; L129-Q132 WeakPolarHBondContact O-CA 3.39Å; L129-Q132 WeakPolarHBondContact O-CB 3.13Å; L129-Q132 PolarHBondContact O-N 3.04Å; L129-G133 PolarHBondContact O-N 3.14Å; L129-Q134 CarbonylContact C-O 3.56Å; L129-Q134 HydrophobicContact CB-CB 4.28Å; L129-Q134 HydrophobicContact CD2-CB 4.1Å; L129-Q134 CarbonylContact O-C 3.43Å; L129-Q134 WeakPolarHBondContact O-CA 3.36Å; L129-Q134 PolarHBondContact O-N 3.11Å; L129-Q134 VanDerWaalsContact O-O 3.08Å; L129-P136 HydrophobicContact CD1-CB 4.29Å; L129-P136 HydrophobicContact CD1-CG 3.73Å
130K97.9Very high98Very high172 Ų17277.9 Ų77.975%0.74842%0.415SS*.Hα-helixtrans-61.3-41.2176.1-172.8-179.3-179.1-177.50112.3L126 R127 Q132 G133 Q134L126-K130 VanDerWaalsContact O-CB 3.24Å; L126-K130 WeakPolarHBondContact O-CB 3.49Å; L126-K130 PolarHBondContact O-N 3.43Å; R127-K130 PolarHBondContact O-N 2.57Å; K130-Q132 PolarHBondContact O-N 3.03Å; K130-G133 PolarHBondContact O-N 2.94Å; K130-Q134 PolarHBondContact N-O 2.92Å
131E97.9Very high98.1Very high132 Ų13279 Ų7962%0.61742%0.423SS*.Hα-helixtrans-60.1-27.7174-72.5168.4-176.800112.1R127 R128 L129R127-E131 WeakPolarHBondContact CG-OE1 2.87Å; R127-E131 IonicContact CZ-OE1 3.47Å; R127-E131 IonicContact NE-OE1 3.81Å; R127-E131 PolarHBondContact NE-OE1 3.39Å; R127-E131 IonicContact NH2-OE1 3.17Å; R127-E131 WeakPolarHBondContact O-CG 3.49Å; R127-E131 PolarHBondContact O-N 3Å; R128-E131 PolarHBondContact O-N 3.36Å; L129-E131 VanDerWaalsContact C-N 3.34Å; L129-E131 PolarHBondContact O-N 2.81Å
132Q97.3Very high98.2Very high110 Ų11075.1 Ų75.151%0.51439%0.391SS..THydrogen-bonded Turntrans-91.65.5175.8-63.9174.2-16.700113.4R128 L129 K130 Q134R128-Q132 WeakPolarHBondContact O-CG 3.44Å; R128-Q132 PolarHBondContact O-N 2.93Å; L129-Q132 CarbonylContact O-C 3.16Å; L129-Q132 WeakPolarHBondContact O-CA 3.39Å; L129-Q132 WeakPolarHBondContact O-CB 3.13Å; L129-Q132 PolarHBondContact O-N 3.04Å; K130-Q132 PolarHBondContact O-N 3.03Å; Q132-Q134 VanDerWaalsContact C-N 3.27Å; Q132-Q134 HydrophobicContact CB-CG 4.49Å; Q132-Q134 PolarHBondContact O-N 2.92Å
133G97.8Very high98.2Very high74 Ų7477 Ų7776%0.76340%0.4SS*.THydrogen-bonded Turntrans69.422.7-17600000114L129 K130L129-G133 PolarHBondContact O-N 3.14Å; K130-G133 PolarHBondContact O-N 2.94Å
134Q97.9Very high98.2Very high73 Ų7374.4 Ų74.434%0.34139%0.387SS..  trans-120.6169.4-174.7-68.6-175.3-6.700112.1P87 L129 K130 Q132P87-Q134 HydrophobicContact CG-CB 4.19Å; L129-Q134 CarbonylContact C-O 3.56Å; L129-Q134 HydrophobicContact CB-CB 4.28Å; L129-Q134 HydrophobicContact CD2-CB 4.1Å; L129-Q134 CarbonylContact O-C 3.43Å; L129-Q134 WeakPolarHBondContact O-CA 3.36Å; L129-Q134 PolarHBondContact O-N 3.11Å; L129-Q134 VanDerWaalsContact O-O 3.08Å; K130-Q134 PolarHBondContact N-O 2.92Å; Q132-Q134 VanDerWaalsContact C-N 3.27Å; Q132-Q134 HydrophobicContact CB-CG 4.49Å; Q132-Q134 PolarHBondContact O-N 2.92Å
135A98.3Very high98.3Very high65 Ų6569.2 Ų69.254%0.53736%0.359SS..  trans-137.9156.7172.600000110.2P87P87-A135 VanDerWaalsContact CG-O 3.3Å; P87-A135 WeakPolarHBondContact CG-O 3.43Å
136P98.6Very high98.3Very high14 Ų1469.1 Ų69.19%0.09136%0.359CS..PPolyproline II helixtrans-57.6149.1173-2130.3000111.8I84 R120 L126 L129 T138I84-P136 HydrophobicContact CG2-CB 4.23Å; I84-P136 WeakPolarHBondContact O-CA 3.35Å; R120-P136 HydrophobicContact CG-CB 4.16Å; L126-P136 HydrophobicContact CD2-CG 3.65Å; L129-P136 HydrophobicContact CD1-CB 4.29Å; L129-P136 HydrophobicContact CD1-CG 3.73Å; P136-T138 PolarHBondContact O-N 3.31Å
137I98.7Very high98.3Very high4 Ų473.1 Ų73.12%0.02137%0.373CS..PPolyproline II helixtrans-66.4127178.3-57.4-57.4000110.3F82 I84 P87 Y90 R120 Q141F82-I137 HydrophobicContact CD2-CG1 4.47Å; F82-I137 HydrophobicContact CE2-CB 3.94Å; F82-I137 HydrophobicContact CE2-CG1 4.03Å; F82-I137 HydrophobicContact CE2-CG2 3.73Å; F82-I137 HydrophobicContact CZ-CG2 4.05Å; I84-I137 PolarHBondContact O-N 2.67Å; P87-I137 HydrophobicContact CB-CD1 4.14Å; P87-I137 HydrophobicContact CG-CD1 4.29Å; Y90-I137 HydrophobicContact CD1-CD1 3.96Å; Y90-I137 HydrophobicContact CD2-CD1 4.2Å; Y90-I137 HydrophobicContact CD2-CG1 4.22Å; Y90-I137 HydrophobicContact CD2-CG2 3.83Å; Y90-I137 HydrophobicContact CE2-CG2 4.07Å; Y90-I137 HydrophobicContact CG-CD1 3.75Å; Y90-I137 HydrophobicContact CG-CG1 4.04Å; Y90-I137 HydrophobicContact CG-CG2 4.45Å; R120-I137 PolarHBondContact NE-O 3Å; R120-I137 PolarHBondContact NH2-O 3.47Å; I137-Q141 HydrophobicContact CG2-CB 3.89Å
138T98.7Very high98.3Very high51 Ų5169.8 Ų69.831%0.31337%0.365SS..PPolyproline II helixtrans-80.6155.2176.862.60000111.5P136 Q140 Q141 G142P136-T138 PolarHBondContact O-N 3.31Å; T138-Q140 PolarHBondContact O-N 3.2Å; T138-Q141 PolarHBondContact O-N 3.45Å; T138-Q141 VanDerWaalsContact O-N 3.14Å; T138-Q141 VanDerWaalsContact OG1-CG 3.29Å; T138-Q141 WeakPolarHBondContact OG1-CG 3.41Å; T138-Q141 PolarHBondContact OG1-N 2.6Å; T138-Q141 PolarHBondContact OG1-OE1 3.09Å; T138-G142 PolarHBondContact O-N 3.12Å; T138-G142 VanDerWaalsContact O-N 3.11Å
139P98.6Very high98.3Very high45 Ų4565 Ų6529%0.29235%0.347SS..Hα-helixtrans-55.8-35.4173.4-26.635.4000113.1G142 Q143 E156P139-G142 PolarHBondContact O-N 3.26Å; P139-Q143 WeakPolarHBondContact O-CB 3.32Å; P139-Q143 VanDerWaalsContact O-CG 3.26Å; P139-Q143 WeakPolarHBondContact O-CG 3.47Å; P139-Q143 PolarHBondContact O-N 3.41Å; P139-E156 WeakPolarHBondContact CA-OE1 3.33Å
140Q98.8Very high98.2Very high130 Ų13072.8 Ų72.861%0.60738%0.383SS*.Hα-helixtrans-65.8-41.3178.7-65.679.3200111.8T138 Q143 A144T138-Q140 PolarHBondContact O-N 3.2Å; Q140-Q143 PolarHBondContact O-N 2.82Å; Q140-A144 WeakPolarHBondContact O-CB 3.2Å; Q140-A144 PolarHBondContact O-N 3.37Å
141Q98.8Very high98.2Very high79 Ų7965.4 Ų65.437%0.36935%0.354SS..Hα-helixtrans-63.1-46.3174-75.5167-61.900111.1Y90 I137 T138 Q143 A144 L145Y90-Q141 HydrophobicContact CE2-CB 4.28Å; Y90-Q141 PolarHBondContact OH-O 2.94Å; I137-Q141 HydrophobicContact CG2-CB 3.89Å; T138-Q141 PolarHBondContact O-N 3.45Å; T138-Q141 VanDerWaalsContact O-N 3.14Å; T138-Q141 VanDerWaalsContact OG1-CG 3.29Å; T138-Q141 WeakPolarHBondContact OG1-CG 3.41Å; T138-Q141 PolarHBondContact OG1-N 2.6Å; T138-Q141 PolarHBondContact OG1-OE1 3.09Å; Q141-Q143 PolarHBondContact O-N 3.44Å; Q141-A144 WeakPolarHBondContact O-CB 3.44Å; Q141-A144 PolarHBondContact O-N 3.37Å; Q141-L145 PolarHBondContact O-N 3.46Å
142G98.8Very high98.1Very high0 Ų062.6 Ų62.60%035%0.346CS..Hα-helixtrans-60.5-42.3176.700000113.4T138 P139 L145 A146 Y154T138-G142 PolarHBondContact O-N 3.12Å; T138-G142 VanDerWaalsContact O-N 3.11Å; P139-G142 PolarHBondContact O-N 3.26Å; G142-L145 PolarHBondContact O-N 2.84Å; G142-A146 WeakPolarHBondContact O-CB 3.04Å; G142-A146 PolarHBondContact O-N 3.5Å; G142-Y154 VanDerWaalsContact CA-CZ 3.48Å
143Q98.7Very high98.1Very high103 Ų10363.9 Ų63.948%0.48135%0.346SS..Hα-helixtrans-63.6-40.2173.5-72.3174.612.700112.6P139 Q140 Q141 A146 K147 Y154P139-Q143 WeakPolarHBondContact O-CB 3.32Å; P139-Q143 VanDerWaalsContact O-CG 3.26Å; P139-Q143 WeakPolarHBondContact O-CG 3.47Å; P139-Q143 PolarHBondContact O-N 3.41Å; Q140-Q143 PolarHBondContact O-N 2.82Å; Q141-Q143 PolarHBondContact O-N 3.44Å; Q143-A146 PolarHBondContact O-N 2.98Å; Q143-K147 WeakPolarHBondContact O-CG 3.43Å; Q143-K147 PolarHBondContact O-N 3.08Å; Q143-K147 VanDerWaalsContact O-N 3.14Å; Q143-Y154 HydrophobicContact CG-CD1 3.77Å; Q143-Y154 HydrophobicContact CG-CE1 4.48Å
144A98.6Very high98.2Very high43 Ų4361.7 Ų61.736%0.35532%0.315SS..Hα-helixtrans-64-44.717700000111.2Q140 Q141 K147 Q148Q140-A144 WeakPolarHBondContact O-CB 3.2Å; Q140-A144 PolarHBondContact O-N 3.37Å; Q141-A144 WeakPolarHBondContact O-CB 3.44Å; Q141-A144 PolarHBondContact O-N 3.37Å; A144-K147 PolarHBondContact O-N 3.26Å; A144-Q148 VanDerWaalsContact O-CG 3.29Å; A144-Q148 WeakPolarHBondContact O-CG 3.19Å; A144-Q148 PolarHBondContact O-N 3.12Å
145L98.6Very high98.2Very high1 Ų159.4 Ų59.41%0.00531%0.305CS..Hα-helixtrans-62.8-44.3176.2-179.160.3000111.9Y90 V93 R94 L112 Q141 G142 K147 Q148 I149Y90-L145 HydrophobicContact CD2-CD2 3.48Å; Y90-L145 VanDerWaalsContact CD2-CD2 3.48Å; Y90-L145 HydrophobicContact CE1-CD2 4.5Å; Y90-L145 HydrophobicContact CE2-CB 3.63Å; Y90-L145 HydrophobicContact CE2-CD2 3.29Å; Y90-L145 HydrophobicContact CE2-CG 4.07Å; Y90-L145 HydrophobicContact CG-CD2 4.2Å; V93-L145 HydrophobicContact CB-CD2 3.87Å; V93-L145 HydrophobicContact CG1-CD1 4.47Å; V93-L145 HydrophobicContact CG1-CD2 3.9Å; V93-L145 HydrophobicContact CG1-CG 4.33Å; V93-L145 HydrophobicContact CG2-CD2 4.25Å; R94-L145 HydrophobicContact CB-CD1 4.43Å; L112-L145 HydrophobicContact CD1-CD2 4.4Å; L112-L145 HydrophobicContact CD2-CB 3.91Å; L112-L145 HydrophobicContact CD2-CD2 3.85Å; L112-L145 HydrophobicContact CD2-CG 3.75Å; Q141-L145 PolarHBondContact O-N 3.46Å; G142-L145 PolarHBondContact O-N 2.84Å; L145-K147 VanDerWaalsContact C-N 3.28Å; L145-K147 PolarHBondContact O-N 2.74Å; L145-Q148 WeakPolarHBondContact O-CB 3.35Å; L145-Q148 PolarHBondContact O-N 2.85Å; L145-I149 HydrophobicContact CD1-CG2 3.89Å; L145-I149 WeakPolarHBondContact O-CG1 3.31Å; L145-I149 PolarHBondContact O-N 2.97Å
146A98.6Very high98.2Very high7 Ų757.8 Ų57.86%0.05829%0.286CS..Hα-helixtrans-57.4-41176.600000112.5L112 G142 Q143 H150 A151 Y154L112-A146 HydrophobicContact CB-CB 4.28Å; L112-A146 HydrophobicContact CD2-CB 3.9Å; G142-A146 WeakPolarHBondContact O-CB 3.04Å; G142-A146 PolarHBondContact O-N 3.5Å; Q143-A146 PolarHBondContact O-N 2.98Å; A146-H150 PolarHBondContact O-N 3.14Å; A146-H150 VanDerWaalsContact O-N 3.14Å; A146-A151 HydrophobicContact CB-CB 4.07Å; A146-A151 PolarHBondContact O-N 3.43Å; A146-Y154 HydrophobicContact CB-CG 4.5Å
147K98.1Very high98.3Very high161 Ų16157.1 Ų57.170%0.728%0.282SS*.Hα-helixtrans-64.2-41.4173.8-70.8175.5-177.8178.10112Q143 A144 L145 H150Q143-K147 WeakPolarHBondContact O-CG 3.43Å; Q143-K147 PolarHBondContact O-N 3.08Å; Q143-K147 VanDerWaalsContact O-N 3.14Å; A144-K147 PolarHBondContact O-N 3.26Å; L145-K147 VanDerWaalsContact C-N 3.28Å; L145-K147 PolarHBondContact O-N 2.74Å; K147-H150 PolarHBondContact O-N 3.08Å
148Q97.5Very high98.2Very high96 Ų9657 Ų5745%0.44928%0.281SS..Hα-helixtrans-66.5-36.2-179-73.2165.7-2500112.9R94 A144 L145 H150R94-Q148 VanDerWaalsContact NH2-NE2 3.19Å; A144-Q148 VanDerWaalsContact O-CG 3.29Å; A144-Q148 WeakPolarHBondContact O-CG 3.19Å; A144-Q148 PolarHBondContact O-N 3.12Å; L145-Q148 WeakPolarHBondContact O-CB 3.35Å; L145-Q148 PolarHBondContact O-N 2.85Å; Q148-H150 VanDerWaalsContact C-N 3.34Å
149I97.4Very high98.2Very high5 Ų555 Ų553%0.02627%0.27CS..THydrogen-bonded Turntrans-94.39178.573.7175.6000112.9V93 H98 L112 L145 A151V93-I149 HydrophobicContact CG1-CD1 3.78Å; H98-I149 HydrophobicContact CB-CB 4.31Å; H98-I149 HydrophobicContact CB-CG2 4.14Å; H98-I149 PolarHBondContact NE2-O 2.89Å; L112-I149 HydrophobicContact CB-CD1 4.31Å; L112-I149 HydrophobicContact CD1-CD1 4.12Å; L112-I149 HydrophobicContact CD2-CD1 4.32Å; L112-I149 HydrophobicContact CG-CD1 4.49Å; L145-I149 HydrophobicContact CD1-CG2 3.89Å; L145-I149 WeakPolarHBondContact O-CG1 3.31Å; L145-I149 PolarHBondContact O-N 2.97Å; I149-A151 HydrophobicContact CD1-CB 4.16Å; I149-A151 HydrophobicContact CG1-CB 3.89Å; I149-A151 PolarHBondContact O-N 2.9Å; I149-A151 VanDerWaalsContact O-N 3.12Å
150H96.4Very high98.1Very high164 Ų16457.6 Ų57.676%0.75928%0.281SS*.THydrogen-bonded Turntrans52.832.6-176.9-54.6-67.8000114.4A146 K147 Q148A146-H150 PolarHBondContact O-N 3.14Å; A146-H150 VanDerWaalsContact O-N 3.14Å; K147-H150 PolarHBondContact O-N 3.08Å; Q148-H150 VanDerWaalsContact C-N 3.34Å
151A97.8Very high98Very high16 Ų1657.3 Ų57.313%0.13228%0.28CS..  trans-64.3140.6173.800000110.2I110 L112 A146 I149 R153I110-A151 HydrophobicContact CG2-CB 4.41Å; I110-A151 CarbonylContact O-C 3.56Å; I110-A151 VanDerWaalsContact O-CA 3.23Å; I110-A151 WeakPolarHBondContact O-CA 3.45Å; I110-A151 WeakPolarHBondContact O-CB 3.42Å; L112-A151 HydrophobicContact CB-CB 4.08Å; A146-A151 HydrophobicContact CB-CB 4.07Å; A146-A151 PolarHBondContact O-N 3.43Å; I149-A151 HydrophobicContact CD1-CB 4.16Å; I149-A151 HydrophobicContact CG1-CB 3.89Å; I149-A151 PolarHBondContact O-N 2.9Å; I149-A151 VanDerWaalsContact O-N 3.12Å; A151-R153 PolarHBondContact O-N 3.32Å
152V96.9Very high97.8Very high74 Ų7458.5 Ų58.545%0.44829%0.285SS..SBendtrans-65.2-30.6179.9-56.30000111.5P109 I110 L111 A175P109-V152 HydrophobicContact CB-CG1 3.74Å; I110-V152 WeakPolarHBondContact O-CG2 3.47Å; I110-V152 PolarHBondContact O-N 3.49Å; L111-V152 HydrophobicContact CD1-CG2 3.51Å; L111-V152 HydrophobicContact CG-CG2 3.93Å; V152-A175 HydrophobicContact CG2-CB 3.87Å
153R97.4Very high97.8Very high137 Ų13761.5 Ų61.552%0.51730%0.301SS..EExtended strand (participates in β ladder)trans-154.6145.4179.7-162.369.1-177.7-169.1-3.1111.2L111 L112 A151 L155L111-R153 HydrophobicContact CG-CB 4.47Å; L112-R153 PolarHBondContact N-O 2.99Å; A151-R153 PolarHBondContact O-N 3.32Å; R153-L155 HydrophobicContact CG-CD1 4.21Å; R153-L155 HydrophobicContact CG-CD2 4.19Å; R153-L155 HydrophobicContact CG-CG 3.93Å
154Y98.8Very high97.8Very high27 Ų2757.1 Ų57.111%0.10628%0.283CS..EExtended strand (participates in β ladder)trans-101.6132.7161178.7-123000109.9F82 L112 G142 Q143 A146 E156F82-Y154 AromaticContact CE1-CE2 3.8Å; F82-Y154 HydrophobicContact CE1-CE2 3.8Å; F82-Y154 AromaticContact CZ-CE2 3.85Å; F82-Y154 HydrophobicContact CZ-CE2 3.85Å; L112-Y154 HydrophobicContact CB-CD2 4.12Å; L112-Y154 HydrophobicContact CD2-CD2 3.88Å; L112-Y154 HydrophobicContact CD2-CE2 4.34Å; L112-Y154 HydrophobicContact CG-CD2 3.84Å; L112-Y154 HydrophobicContact CG-CE2 4.27Å; L112-Y154 WeakPolarHBondContact O-CA 3.36Å; L112-Y154 WeakPolarHBondContact O-CD2 3.35Å; G142-Y154 VanDerWaalsContact CA-CZ 3.48Å; Q143-Y154 HydrophobicContact CG-CD1 3.77Å; Q143-Y154 HydrophobicContact CG-CE1 4.48Å; A146-Y154 HydrophobicContact CB-CG 4.5Å; Y154-E156 HydrophobicContact CE1-CG 3.76Å; Y154-E156 HydrophobicContact CE2-CG 4.33Å; Y154-E156 VanDerWaalsContact CZ-CG 3.49Å; Y154-E156 WeakPolarHBondContact OH-CG 3.49Å; Y154-E156 PolarHBondContact OH-OE1 2.9Å
155L98.8Very high97.8Very high26 Ų2655.3 Ų55.314%0.13627%0.268CS..EExtended strand (participates in β ladder)trans-134.5157.8176.1-65.4158.4000109.7L111 L112 V113 G114 R153 V168 E171L111-L155 HydrophobicContact CD2-CD1 3.92Å; L112-L155 PolarHBondContact O-N 3.41Å; V113-L155 CarbonylContact C-O 3.41Å; V113-L155 WeakPolarHBondContact CA-O 3.32Å; V113-L155 HydrophobicContact CG2-CB 4.45Å; G114-L155 PolarHBondContact N-O 2.8Å; R153-L155 HydrophobicContact CG-CD1 4.21Å; R153-L155 HydrophobicContact CG-CD2 4.19Å; R153-L155 HydrophobicContact CG-CG 3.93Å; L155-V168 HydrophobicContact CB-CG2 4.08Å; L155-V168 HydrophobicContact CD1-CG2 4.24Å; L155-E171 HydrophobicContact CD1-CB 3.68Å; L155-E171 HydrophobicContact CD1-CG 3.71Å; L155-E171 HydrophobicContact CD2-CG 4.25Å
156E98.8Very high97.7Very high30 Ų3061.4 Ų61.414%0.1429%0.294CS..EExtended strand (participates in β ladder)trans-128.6144171.6-63.4-177.6174.800109.5I84 G114 K117 R120 P139 Y154I84-E156 HydrophobicContact CD1-CB 4.13Å; I84-E156 HydrophobicContact CD1-CG 4Å; G114-E156 CarbonylContact O-C 3.47Å; G114-E156 VanDerWaalsContact O-CA 3.22Å; G114-E156 WeakPolarHBondContact O-CA 3.24Å; K117-E156 HydrophobicContact CD-CB 4Å; K117-E156 HydrophobicContact CG-CB 4.38Å; R120-E156 IonicContact CZ-OE1 3.52Å; R120-E156 IonicContact CZ-OE2 3.37Å; R120-E156 VanDerWaalsContact CZ-OE2 3.28Å; R120-E156 IonicContact NH1-OE1 3.92Å; R120-E156 IonicContact NH1-OE2 2.64Å; R120-E156 PolarHBondContact NH1-OE2 3.24Å; R120-E156 IonicContact NH2-OE1 3.3Å; R120-E156 PolarHBondContact NH2-OE1 3.49Å; R120-E156 IonicContact NH2-OE2 2.8Å; R120-E156 PolarHBondContact NH2-OE2 2.83Å; P139-E156 WeakPolarHBondContact CA-OE1 3.33Å; Y154-E156 HydrophobicContact CE1-CG 3.76Å; Y154-E156 HydrophobicContact CE2-CG 4.33Å; Y154-E156 VanDerWaalsContact CZ-CG 3.49Å; Y154-E156 WeakPolarHBondContact OH-CG 3.49Å; Y154-E156 PolarHBondContact OH-OE1 2.9Å
157C98.8Very high97.7Very high1 Ų165.8 Ų65.81%0.00731%0.314CS..  trans-144.5155.3178.866.40000112.3G114 T115 K116 K117 D163 V168G114-C157 PolarHBondContact O-N 3.26Å; T115-C157 CarbonylContact C-O 3.47Å; K116-C157 PolarHBondContact N-O 3Å; K117-C157 WeakPolarHBondContact CB-O 3.36Å; K117-C157 PolarHBondContact N-O 3.07Å; C157-D163 CarbonylContact C-O 3.57Å; C157-D163 WeakPolarHBondContact CA-O 3.41Å; C157-D163 VanDerWaalsContact CB-O 3.26Å; C157-D163 WeakPolarHBondContact CB-O 3.4Å; C157-V168 HydrophobicContact CB-CG2 4.27Å
158S98.5Very high97.7Very high0 Ų058.1 Ų58.10%028%0.281CS..BIsolated β-bridgetrans-117.7108.6162.3176.60000108.5D118 L160 Q161 Q162 D163D118-S158 VanDerWaalsContact CG-OG 3.26Å; D118-S158 WeakPolarHBondContact OD1-CB 3.32Å; D118-S158 PolarHBondContact OD1-OG 2.91Å; S158-L160 PolarHBondContact O-N 3.4Å; S158-L160 PolarHBondContact OG-N 3.29Å; S158-Q161 PolarHBondContact O-N 3.17Å; S158-Q161 PolarHBondContact OG-N 3.15Å; S158-Q162 CarbonylContact O-C 3.59Å; S158-Q162 WeakPolarHBondContact O-CA 3.39Å; S158-Q162 PolarHBondContact O-N 2.97Å; S158-D163 PolarHBondContact N-O 2.79Å; S158-D163 PolarHBondContact O-N 3.13Å
159A97.6Very high97.7Very high10 Ų1053.6 Ų53.68%0.08326%0.259CS..THydrogen-bonded Turntrans-60.6-35.1171.700000111.1C18 C22 F28 Q162C18-A159 HydrophobicContact CB-CB 3.93Å; C22-A159 HydrophobicContact CB-CB 4.3Å; C22-A159 PolarHBondContact SG-O 3.35Å; F28-A159 HydrophobicContact CD2-CB 4.08Å; F28-A159 HydrophobicContact CE2-CB 4.01Å; A159-Q162 PolarHBondContact O-N 2.67Å
160L96.3Very high97.7Very high100 Ų10054.5 Ų54.552%0.52427%0.267SS..THydrogen-bonded Turntrans-65.1-44179.3179.662.8000112.1F28 S158F28-L160 HydrophobicContact CD1-CD1 4.03Å; F28-L160 HydrophobicContact CD2-CB 4.2Å; F28-L160 HydrophobicContact CD2-CD1 4.38Å; F28-L160 HydrophobicContact CE1-CD1 4.19Å; F28-L160 HydrophobicContact CE2-CB 4.08Å; F28-L160 HydrophobicContact CG-CD1 4.13Å; F28-L160 HydrophobicContact CZ-CD1 4.42Å; S158-L160 PolarHBondContact O-N 3.4Å; S158-L160 PolarHBondContact OG-N 3.29Å
161Q96.7Very high97.8Very high124 Ų12449.1 Ų49.158%0.57924%0.243SC*.THydrogen-bonded Turntrans-90.60.3-180-60.8-178.8-32.900113.3D118 S158 D163D118-Q161 HydrophobicContact CB-CG 4.06Å; S158-Q161 PolarHBondContact O-N 3.17Å; S158-Q161 PolarHBondContact OG-N 3.15Å; Q161-D163 HydrophobicContact CB-CB 4.35Å; Q161-D163 PolarHBondContact O-N 3.34Å; Q161-D163 VanDerWaalsContact O-N 3.14Å
162Q95.6Very high97.8Very high103 Ų10348.3 Ų48.348%0.48124%0.236SC..THydrogen-bonded Turntrans54.622.1-170.2-55.9-169.5-11.300114.4N26 S158 A159N26-Q162 PolarHBondContact O-NE2 3.25Å; S158-Q162 CarbonylContact O-C 3.59Å; S158-Q162 WeakPolarHBondContact O-CA 3.39Å; S158-Q162 PolarHBondContact O-N 2.97Å; A159-Q162 PolarHBondContact O-N 2.67Å
163D98.1Very high97.8Very high64 Ų6444.8 Ų44.834%0.34222%0.215SC..BIsolated β-bridgetrans-85.3126.6179.3179.226.9000110K117 C157 S158 Q161 V165K117-D163 WeakPolarHBondContact CD-OD2 3.48Å; K117-D163 WeakPolarHBondContact CE-OD2 3.35Å; K117-D163 IonicContact NZ-OD1 3.01Å; K117-D163 IonicContact NZ-OD2 3.84Å; K117-D163 PolarHBondContact NZ-OD2 2.7Å; C157-D163 CarbonylContact C-O 3.57Å; C157-D163 WeakPolarHBondContact CA-O 3.41Å; C157-D163 VanDerWaalsContact CB-O 3.26Å; C157-D163 WeakPolarHBondContact CB-O 3.4Å; S158-D163 PolarHBondContact N-O 2.79Å; S158-D163 PolarHBondContact O-N 3.13Å; Q161-D163 HydrophobicContact CB-CB 4.35Å; Q161-D163 PolarHBondContact O-N 3.34Å; Q161-D163 VanDerWaalsContact O-N 3.14Å; D163-V165 PolarHBondContact O-N 2.87Å
164G98Very high97.8Very high10 Ų1041.5 Ų41.510%0.10320%0.202CC..SBendtrans74.7-1.5175.100000116E167 V168G164-E167 WeakPolarHBondContact CA-OE2 3.45Å; G164-V168 WeakPolarHBondContact O-CG2 3.2Å; G164-V168 PolarHBondContact O-N 2.66Å
165V98.1Very high97.7Very high5 Ų540.9 Ų40.93%0.0320%0.203CC..Hα-helixtrans-66.5-45.9-173.9171.40000111.9L19 C22 D163 E167 F169L19-V165 HydrophobicContact CD1-CB 4.34Å; L19-V165 HydrophobicContact CD1-CG1 4.02Å; L19-V165 HydrophobicContact CD1-CG2 4.12Å; C22-V165 HydrophobicContact CB-CG1 4.23Å; D163-V165 PolarHBondContact O-N 2.87Å; V165-E167 VanDerWaalsContact C-N 3.33Å; V165-E167 PolarHBondContact N-OE2 2.86Å; V165-F169 WeakPolarHBondContact O-CD2 3.45Å
166K96.9Very high97.6Very high129 Ų12941.1 Ų41.156%0.56121%0.205SC*.Hα-helixtrans-70.2-36-178.9-71.9178.7176.9173.10111V168 F169 A170K166-V168 VanDerWaalsContact C-N 3.35Å; K166-V168 PolarHBondContact O-N 2.87Å; K166-F169 PolarHBondContact O-N 3.46Å; K166-A170 WeakPolarHBondContact O-CB 3.4Å; K166-A170 PolarHBondContact O-N 2.85Å
167E98.1Very high97.4Very high100 Ų10040.3 Ų40.347%0.46720%0.202SC..Hα-helixtrans-62.4-41.5179.4-65.471-161.100111.1G164 V165 F169 A170 E171G164-E167 WeakPolarHBondContact CA-OE2 3.45Å; V165-E167 VanDerWaalsContact C-N 3.33Å; V165-E167 PolarHBondContact N-OE2 2.86Å; E167-F169 VanDerWaalsContact C-N 3.34Å; E167-F169 PolarHBondContact O-N 2.88Å; E167-A170 PolarHBondContact O-N 3.23Å; E167-E171 WeakPolarHBondContact O-CB 3.45Å; E167-E171 WeakPolarHBondContact O-CG 3.37Å; E167-E171 PolarHBondContact O-N 3.28Å
168V98.5Very high97Very high0 Ų043.7 Ų43.70%022%0.22CC..Hα-helixtrans-53.3-51175.1167.80000111.7L19 V79 V113 L155 C157 G164 K166 A172L19-V168 HydrophobicContact CD2-CG1 4.29Å; V79-V168 HydrophobicContact CG1-CG1 4.43Å; V113-V168 HydrophobicContact CG1-CG2 3.95Å; V113-V168 HydrophobicContact CG2-CG1 3.9Å; V113-V168 HydrophobicContact CG2-CG2 4.04Å; L155-V168 HydrophobicContact CB-CG2 4.08Å; L155-V168 HydrophobicContact CD1-CG2 4.24Å; C157-V168 HydrophobicContact CB-CG2 4.27Å; G164-V168 WeakPolarHBondContact O-CG2 3.2Å; G164-V168 PolarHBondContact O-N 2.66Å; K166-V168 VanDerWaalsContact C-N 3.35Å; K166-V168 PolarHBondContact O-N 2.87Å; V168-A172 WeakPolarHBondContact O-CB 3.49Å; V168-A172 PolarHBondContact O-N 3.33Å
169F97.9Very high96.3Very high0 Ų048.6 Ų48.60%025%0.252CS..Hα-helixtrans-80.4-28.3-175.9-64.5-69.1000113.1L19 L20 Y23 L53 L55 V165 K166 E167 A172 V173L19-F169 HydrophobicContact CD1-CE2 3.84Å; L19-F169 HydrophobicContact CD1-CZ 4.34Å; L19-F169 HydrophobicContact CD2-CE2 4.41Å; L19-F169 HydrophobicContact CD2-CZ 4.12Å; L19-F169 HydrophobicContact CG-CE2 3.8Å; L19-F169 HydrophobicContact CG-CZ 3.81Å; L20-F169 HydrophobicContact CD2-CE1 3.89Å; L20-F169 HydrophobicContact CD2-CZ 3.61Å; Y23-F169 AromaticContact CD1-CD2 3.78Å; Y23-F169 HydrophobicContact CD1-CD2 3.78Å; Y23-F169 HydrophobicContact CD1-CE2 4.18Å; Y23-F169 HydrophobicContact CD1-CG 4.06Å; Y23-F169 HydrophobicContact CD2-CB 4.03Å; Y23-F169 AromaticContact CD2-CD2 3.38Å; Y23-F169 HydrophobicContact CD2-CD2 3.38Å; Y23-F169 HydrophobicContact CD2-CE2 4.21Å; Y23-F169 AromaticContact CD2-CG 4Å; Y23-F169 HydrophobicContact CD2-CG 4Å; Y23-F169 HydrophobicContact CE1-CB 4.15Å; Y23-F169 HydrophobicContact CE1-CD2 4.26Å; Y23-F169 HydrophobicContact CE1-CG 4.12Å; Y23-F169 HydrophobicContact CE2-CB 3.62Å; Y23-F169 AromaticContact CE2-CD2 3.92Å; Y23-F169 HydrophobicContact CE2-CD2 3.92Å; Y23-F169 HydrophobicContact CE2-CG 4.07Å; Y23-F169 HydrophobicContact CG-CB 4.44Å; Y23-F169 AromaticContact CG-CD2 3.29Å; Y23-F169 HydrophobicContact CG-CD2 3.29Å; Y23-F169 AromaticContact CG-CE2 3.72Å; Y23-F169 HydrophobicContact CG-CE2 3.72Å; Y23-F169 AromaticContact CG-CG 3.98Å; Y23-F169 HydrophobicContact CG-CG 3.98Å; L53-F169 HydrophobicContact CD2-CB 3.87Å; L53-F169 HydrophobicContact CD2-CD1 4.04Å; L53-F169 HydrophobicContact CD2-CG 4.27Å; L55-F169 HydrophobicContact CD2-CD1 3.57Å; L55-F169 HydrophobicContact CD2-CE1 3.42Å; L55-F169 VanDerWaalsContact CD2-CE1 3.42Å; L55-F169 HydrophobicContact CD2-CZ 4.3Å; V165-F169 WeakPolarHBondContact O-CD2 3.45Å; K166-F169 PolarHBondContact O-N 3.46Å; E167-F169 VanDerWaalsContact C-N 3.34Å; E167-F169 PolarHBondContact O-N 2.88Å; F169-A172 PolarHBondContact O-N 2.94Å; F169-V173 WeakPolarHBondContact O-CG2 3.22Å; F169-V173 PolarHBondContact O-N 3.19Å
170A97.6Very high95.3Very high24 Ų2453.6 Ų53.620%0.19828%0.282CS..Hα-helixtrans-62.5-44.6169.600000111.4V46 K166 E167 V173 R174V46-A170 HydrophobicContact CG2-CB 4.16Å; K166-A170 WeakPolarHBondContact O-CB 3.4Å; K166-A170 PolarHBondContact O-N 2.85Å; E167-A170 PolarHBondContact O-N 3.23Å; A170-V173 PolarHBondContact O-N 3.18Å; A170-R174 WeakPolarHBondContact O-CB 3.4Å; A170-R174 PolarHBondContact O-N 2.9Å
171E98.1Very high93.6Very high51 Ų5154.5 Ų54.524%0.23829%0.293CS..Hα-helixtrans-68.3-35175.3-67.9-58.3157.400112.3L111 L155 E167 R174 A175L111-E171 HydrophobicContact CD2-CB 3.77Å; L155-E171 HydrophobicContact CD1-CB 3.68Å; L155-E171 HydrophobicContact CD1-CG 3.71Å; L155-E171 HydrophobicContact CD2-CG 4.25Å; E167-E171 WeakPolarHBondContact O-CB 3.45Å; E167-E171 WeakPolarHBondContact O-CG 3.37Å; E167-E171 PolarHBondContact O-N 3.28Å; E171-R174 PolarHBondContact O-N 2.88Å; E171-R174 IonicContact OE1-CZ 2.97Å; E171-R174 IonicContact OE1-NH1 3.97Å; E171-R174 PolarHBondContact OE1-NH1 2.82Å; E171-R174 IonicContact OE2-NH1 2.7Å; E171-R174 PolarHBondContact OE2-NH1 3.04Å; E171-A175 WeakPolarHBondContact O-CB 3.39Å; E171-A175 PolarHBondContact O-N 3.32Å
172A97.9Very high91.9Very high0 Ų054.4 Ų54.40%030%0.295CS..Hα-helixtrans-62-44.7174.900000111.3V77 V79 L111 V168 F169 A175V77-A172 HydrophobicContact CG1-CB 4.1Å; V77-A172 HydrophobicContact CG2-CB 4.24Å; V79-A172 HydrophobicContact CG2-CB 4.45Å; L111-A172 HydrophobicContact CD1-CB 4.4Å; L111-A172 HydrophobicContact CD2-CB 4.04Å; V168-A172 WeakPolarHBondContact O-CB 3.49Å; V168-A172 PolarHBondContact O-N 3.33Å; F169-A172 PolarHBondContact O-N 2.94Å; A172-A175 PolarHBondContact O-N 3.24Å
173V97.7Very high90Very high0 Ų059.3 Ų59.30%032%0.315CS..Hα-helixtrans-63.4-45.5173.5168.50000110.6I4 V46 V51 L53 F169 A170 A175 V176 L177I4-V173 HydrophobicContact CD1-CB 4.39Å; I4-V173 HydrophobicContact CD1-CG1 3.96Å; I4-V173 HydrophobicContact CD1-CG2 4.33Å; V46-V173 HydrophobicContact CB-CB 4.41Å; V46-V173 HydrophobicContact CB-CG1 3.75Å; V46-V173 HydrophobicContact CG1-CG1 4.23Å; V46-V173 HydrophobicContact CG2-CB 3.95Å; V46-V173 HydrophobicContact CG2-CG1 3.73Å; V51-V173 HydrophobicContact CG1-CG1 4.47Å; V51-V173 HydrophobicContact CG2-CG1 3.79Å; V51-V173 HydrophobicContact CG2-CG2 3.9Å; L53-V173 HydrophobicContact CD1-CG2 4Å; L53-V173 HydrophobicContact CD2-CG2 4.07Å; L53-V173 HydrophobicContact CG-CG2 4.48Å; F169-V173 WeakPolarHBondContact O-CG2 3.22Å; F169-V173 PolarHBondContact O-N 3.19Å; A170-V173 PolarHBondContact O-N 3.18Å; V173-A175 VanDerWaalsContact C-N 3.31Å; V173-A175 PolarHBondContact O-N 3.29Å; V173-V176 PolarHBondContact O-N 3.38Å; V173-V176 VanDerWaalsContact O-N 3.14Å; V173-L177 HydrophobicContact CG1-CD1 3.5Å; V173-L177 HydrophobicContact CG1-CG 3.95Å; V173-L177 WeakPolarHBondContact O-CB 3.32Å; V173-L177 WeakPolarHBondContact O-CG 3.46Å; V173-L177 PolarHBondContact O-N 3.03Å
174R97.1Very high88Confident67 Ų6765 Ų6525%0.25333%0.332SS..Hα-helixtrans-60.5-38.8179.4-170.7174.2-66.2109.3-0.7112.6V46 D47 A170 E171 V176 L177 N178V46-R174 HydrophobicContact CG1-CB 4.25Å; D47-R174 IonicContact OD1-CZ 2.87Å; D47-R174 IonicContact OD1-NE 3.83Å; D47-R174 PolarHBondContact OD1-NE 2.74Å; D47-R174 IonicContact OD1-NH2 2.85Å; D47-R174 PolarHBondContact OD1-NH2 2.87Å; D47-R174 IonicContact OD2-CZ 3.21Å; D47-R174 IonicContact OD2-NE 3.6Å; D47-R174 PolarHBondContact OD2-NE 2.81Å; D47-R174 IonicContact OD2-NH2 2.85Å; A170-R174 WeakPolarHBondContact O-CB 3.4Å; A170-R174 PolarHBondContact O-N 2.9Å; E171-R174 PolarHBondContact O-N 2.88Å; E171-R174 IonicContact OE1-CZ 2.97Å; E171-R174 IonicContact OE1-NH1 3.97Å; E171-R174 PolarHBondContact OE1-NH1 2.82Å; E171-R174 IonicContact OE2-NH1 2.7Å; E171-R174 PolarHBondContact OE2-NH1 3.04Å; R174-V176 PolarHBondContact O-N 2.84Å; R174-L177 PolarHBondContact O-N 2.86Å; R174-N178 HydrophobicContact CG-CB 4.39Å; R174-N178 PolarHBondContact O-N 2.92Å
175A96.4Very high85.6Confident15 Ų1568.1 Ų68.112%0.12436%0.364CS..Hα-helixtrans-59.6-31.6177.700000113P109 L111 V152 E171 A172 V173P109-A175 HydrophobicContact CB-CB 4.3Å; P109-A175 HydrophobicContact CG-CB 4.45Å; L111-A175 HydrophobicContact CD1-CB 4.03Å; V152-A175 HydrophobicContact CG2-CB 3.87Å; E171-A175 WeakPolarHBondContact O-CB 3.39Å; E171-A175 PolarHBondContact O-N 3.32Å; A172-A175 PolarHBondContact O-N 3.24Å; V173-A175 VanDerWaalsContact C-N 3.31Å; V173-A175 PolarHBondContact O-N 3.29Å
176V96.3Very high83Confident30 Ų3079.3 Ų79.318%0.18241%0.406CS..Hα-helixtrans-84.6-40.7176.9-179.50000111.4I4 N76 V77 V173 R174I4-V176 HydrophobicContact CD1-CB 4.07Å; I4-V176 HydrophobicContact CD1-CG1 4.07Å; I4-V176 HydrophobicContact CG1-CG1 4.24Å; I4-V176 HydrophobicContact CG2-CB 4.48Å; I4-V176 HydrophobicContact CG2-CG2 4Å; N76-V176 HydrophobicContact CB-CG1 4.13Å; N76-V176 HydrophobicContact CB-CG2 3.92Å; N76-V176 WeakPolarHBondContact O-CG2 3.27Å; V77-V176 HydrophobicContact CB-CG2 3.77Å; V77-V176 HydrophobicContact CG1-CG2 4.03Å; V173-V176 PolarHBondContact O-N 3.38Å; V173-V176 VanDerWaalsContact O-N 3.14Å; R174-V176 PolarHBondContact O-N 2.84Å
177L94.6Very high80.6Confident14 Ų1478.1 Ų78.17%0.07341%0.414CS..Hα-helixtrans-77.5-27.1-174.6-73.2-170.1000114I4 R49 V51 V173 R174I4-L177 HydrophobicContact CD1-CD2 4.19Å; I4-L177 HydrophobicContact CD1-CG 4.19Å; R49-L177 HydrophobicContact CB-CD1 4.16Å; R49-L177 PolarHBondContact NH1-O 3.11Å; R49-L177 VanDerWaalsContact NH1-O 3.08Å; V51-L177 HydrophobicContact CG1-CD1 4.11Å; V51-L177 HydrophobicContact CG1-CD2 4.28Å; V173-L177 HydrophobicContact CG1-CD1 3.5Å; V173-L177 HydrophobicContact CG1-CG 3.95Å; V173-L177 WeakPolarHBondContact O-CB 3.32Å; V173-L177 WeakPolarHBondContact O-CG 3.46Å; V173-L177 PolarHBondContact O-N 3.03Å; R174-L177 PolarHBondContact O-N 2.86Å
178N91.4Very high78Confident72 Ų7278.6 Ų78.639%0.38543%0.427SS..SBendtrans-132.266.9-178.4-61.2-32.4000109.8D47 R49 R174 T180D47-N178 PolarHBondContact OD2-ND2 3.38Å; D47-N178 VanDerWaalsContact OD2-ND2 3.12Å; R49-N178 PolarHBondContact NH2-OD1 3.19Å; R174-N178 HydrophobicContact CG-CB 4.39Å; R174-N178 PolarHBondContact O-N 2.92Å; N178-T180 PolarHBondContact O-N 3.45Å
179P83.6Confident75.8Confident102 Ų10283.8 Ų83.866%0.66246%0.459SS*.PPolyproline II helixtrans-63.2126.5-175.926.2-33.3000110.3
180T75.6Confident73.3Confident116 Ų11691.5 Ų91.571%0.71250%0.499SS*.PPolyproline II helixtrans-81134.8172.2-40.80000108.1N178 I182N178-T180 PolarHBondContact O-N 3.45Å; T180-I182 PolarHBondContact O-N 2.68Å
181P62.3Low71.1Confident118 Ų118101.2 Ų101.277%0.76655%0.546SS*.PPolyproline II helixtrans-57.7117.8179.4-10.814000110.9K183P181-K183 PolarHBondContact O-N 3.2Å; P181-K183 VanDerWaalsContact O-N 3.15Å
182I61.1Low69.8Low122 Ų122103.8 Ų103.863%0.62656%0.562SS**  trans-67.9112.4174-57.3173.8000107.2T180 R184T180-I182 PolarHBondContact O-N 2.68Å; I182-R184 VanDerWaalsContact C-N 3.28Å; I182-R184 HydrophobicContact CG2-CG 4.45Å; I182-R184 PolarHBondContact O-N 3.23Å
183K54.8Low68.3Low206 Ų206109.2 Ų109.290%0.89659%0.591SS**  trans-69.586.9171.9-68.5-173.5-178.5-1780108.7P181 G185P181-K183 PolarHBondContact O-N 3.2Å; P181-K183 VanDerWaalsContact O-N 3.15Å; K183-G185 PolarHBondContact O-N 2.87Å; K183-G185 VanDerWaalsContact O-N 3.12Å
184R55.6Low66.6Low183 Ų183115.3 Ų115.369%0.69162%0.624SS**  trans-63.9111.9167.9-71.2-174.1175.4-179.4-0.1107.7D107 I182 R186D107-R184 IonicContact OD1-CZ 3.28Å; D107-R184 IonicContact OD1-NH2 2.69Å; D107-R184 PolarHBondContact OD1-NH2 3.25Å; D107-R184 IonicContact OD2-NH2 2.69Å; I182-R184 VanDerWaalsContact C-N 3.28Å; I182-R184 HydrophobicContact CG2-CG 4.45Å; I182-R184 PolarHBondContact O-N 3.23Å; R184-R186 PolarHBondContact O-N 3.46Å; R184-R186 VanDerWaalsContact O-N 3.15Å
185G48.4Very low64.8Low76 Ų76118.1 Ų118.178%0.78465%0.646SS**  trans-56.7119.3170.400000108.3K183 S187K183-G185 PolarHBondContact O-N 2.87Å; K183-G185 VanDerWaalsContact O-N 3.12Å; G185-S187 PolarHBondContact O-N 2.64Å
186R43.9Very low62.9Low240 Ų240124.6 Ų124.691%0.90668%0.679SS**  trans-61.5113.3172.5-73-180172.3178.2-3106.9R184 C188R184-R186 PolarHBondContact O-N 3.46Å; R184-R186 VanDerWaalsContact O-N 3.15Å; R186-C188 VanDerWaalsContact C-N 3.33Å; R186-C188 PolarHBondContact O-N 2.89Å
187S46.2Very low60.6Low104 Ų104130.9 Ų130.973%0.72771%0.712SS**  trans-61104.2161.5-177.80000106.2G185 V189G185-S187 PolarHBondContact O-N 2.64Å; S187-V189 VanDerWaalsContact C-N 3.33Å; S187-V189 PolarHBondContact O-N 3.02Å; S187-V189 VanDerWaalsContact O-N 3.08Å
188C42.7Very low58.2Low111 Ų111139.2 Ų139.275%0.7576%0.758SS**  trans-74.895.1172.2-141.70000105.5R186 L190R186-C188 VanDerWaalsContact C-N 3.33Å; R186-C188 PolarHBondContact O-N 2.89Å; C188-L190 VanDerWaalsContact C-N 3.34Å; C188-L190 PolarHBondContact O-N 3.44Å; C188-L190 VanDerWaalsContact O-N 3.11Å
189V52Low55.7Low109 Ų109144.4 Ų144.466%0.66179%0.786SS**  trans-7497.8166.4-173.40000105.5S187 L191S187-V189 VanDerWaalsContact C-N 3.33Å; S187-V189 PolarHBondContact O-N 3.02Å; S187-V189 VanDerWaalsContact O-N 3.08Å; V189-L191 HydrophobicContact CG1-CG 4.31Å; V189-L191 PolarHBondContact O-N 3.21Å
190L46Very low53.3Low161 Ų161147.9 Ų147.984%0.84380%0.797SS**  trans-71.6105.6163.1-74.8162.8000106.1C188C188-L190 VanDerWaalsContact C-N 3.34Å; C188-L190 PolarHBondContact O-N 3.44Å; C188-L190 VanDerWaalsContact O-N 3.11Å
191L51.5Low51.3Low229 Ų229150.8 Ų150.8100%1.19980%0.804SS**  trans-820161.7-77.3167.8000109.2V189V189-L191 HydrophobicContact CG1-CG 4.31Å; V189-L191 PolarHBondContact O-N 3.21Å

Retrieved 191 of 191 residues in 96 ms (Link to these results)

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