B5X3B0_SALSA Loading...

small monomeric GTPase

AlphaFold DB , UniProt , Accession B5X3B0, Species SALSA (Salmo salar, Atlantic salmon), Gene RAC1, Length 192 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M70.3Confident94.7Very high151 Ų15134.8 Ų34.874%0.74419%0.191SC*.  0116.90-170.2176.2-73.900106.4N43 P50 N52M1-N43 PolarHBondContact SD-OD1 3.16Å; M1-P50 HydrophobicContact CE-CB 4.35Å; M1-P50 HydrophobicContact CG-CB 4.35Å; M1-N52 HydrophobicContact CG-CB 4.16Å; M1-N52 HydrophobicContact SD-CB 3.98Å
2Q89.9Confident94.7Very high99 Ų9934.8 Ų34.846%0.46321%0.205SC..EExtended strand (participates in β ladder)trans-75128.5-177.6-178.1169.7-2.300108.8I4 P50 V51 N52Q2-I4 HydrophobicContact CG-CG1 4.34Å; Q2-P50 PolarHBondContact N-O 3.31Å; Q2-V51 WeakPolarHBondContact O-CA 2.97Å; Q2-N52 PolarHBondContact O-N 3.31Å
3A95.8Very high94.7Very high74 Ų7436.5 Ų36.561%0.61223%0.226SC*.EExtended strand (participates in β ladder)trans-84.8133.4172.500000109N52A3-N52 CarbonylContact C-O 3.55Å; A3-N52 WeakPolarHBondContact CA-O 3.45Å
4I97.8Very high94.9Very high4 Ų434.1 Ų34.12%0.02121%0.211CC..EExtended strand (participates in β ladder)trans-126.6126.2175.5-64.5-178.1000108.2Q2 V51 N52 L53 G54 D76 V77 I173 V176 L177Q2-I4 HydrophobicContact CG-CG1 4.34Å; I4-V51 HydrophobicContact CB-CG1 4.15Å; I4-V51 HydrophobicContact CD1-CG1 3.73Å; I4-V51 HydrophobicContact CD1-CG2 4.37Å; I4-V51 HydrophobicContact CG1-CG1 3.91Å; I4-N52 PolarHBondContact N-O 3.24Å; I4-L53 HydrophobicContact CB-CD1 4.14Å; I4-L53 HydrophobicContact CG2-CD1 3.91Å; I4-G54 PolarHBondContact O-N 3.25Å; I4-D76 WeakPolarHBondContact CA-OD2 3.41Å; I4-D76 HydrophobicContact CG2-CB 3.95Å; I4-V77 HydrophobicContact CG2-CG1 4.32Å; I4-I173 HydrophobicContact CD1-CB 4.4Å; I4-I173 HydrophobicContact CD1-CG1 4.34Å; I4-I173 HydrophobicContact CD1-CG2 3.92Å; I4-V176 HydrophobicContact CD1-CB 4.07Å; I4-V176 HydrophobicContact CD1-CG1 4.06Å; I4-V176 HydrophobicContact CG1-CG1 4.27Å; I4-V176 HydrophobicContact CG2-CG2 4.07Å; I4-L177 HydrophobicContact CD1-CD2 4.06Å; I4-L177 HydrophobicContact CD1-CG 4.23Å
5K97.9Very high95Very high29 Ų2932.9 Ų32.913%0.12621%0.207CC..EExtended strand (participates in β ladder)trans-94115.9173.6172.2164.2177.5-176.10110.7V7 W56 S71 P73 D76 V77K5-V7 HydrophobicContact CG-CG2 4.38Å; K5-W56 HydrophobicContact CB-CE3 4.34Å; K5-W56 HydrophobicContact CB-CH2 4.23Å; K5-W56 HydrophobicContact CB-CZ3 3.82Å; K5-W56 HydrophobicContact CD-CD2 4.12Å; K5-W56 HydrophobicContact CD-CE3 4.13Å; K5-W56 HydrophobicContact CD-CH2 3.96Å; K5-W56 HydrophobicContact CD-CZ2 3.95Å; K5-W56 HydrophobicContact CD-CZ3 4.01Å; K5-W56 HydrophobicContact CG-CD2 4.02Å; K5-W56 HydrophobicContact CG-CE3 3.58Å; K5-W56 HydrophobicContact CG-CH2 3.97Å; K5-W56 HydrophobicContact CG-CZ2 4.37Å; K5-W56 HydrophobicContact CG-CZ3 3.51Å; K5-S71 WeakPolarHBondContact CE-O 3.46Å; K5-S71 PolarHBondContact NZ-O 3Å; K5-P73 PolarHBondContact NZ-O 3.03Å; K5-D76 PolarHBondContact N-OD2 3.5Å; K5-D76 WeakPolarHBondContact O-CB 3.44Å; K5-D76 PolarHBondContact O-N 3.21Å; K5-V77 PolarHBondContact O-N 3.07Å
6C98.4Very high95.1Very high0 Ų031.4 Ų31.40%020%0.197CC..EExtended strand (participates in β ladder)trans-111.4120.3175.3175.80000110.3L53 G54 L55 W56 V77C6-L53 HydrophobicContact CB-CD1 3.83Å; C6-G54 PolarHBondContact N-O 3.39Å; C6-L55 HydrophobicContact CB-CD2 4.11Å; C6-L55 WeakPolarHBondContact O-CA 3.49Å; C6-W56 PolarHBondContact O-N 3.13Å; C6-V77 WeakPolarHBondContact CA-O 3.22Å; C6-V77 HydrophobicContact CB-CG1 3.8Å
7V98.6Very high95.1Very high0 Ų030.9 Ų30.90%019%0.194CC..EExtended strand (participates in β ladder)trans-104.5134176.1178.90000110K5 V9 W56 T58 Y72 T75 V77 F78 L79K5-V7 HydrophobicContact CG-CG2 4.38Å; V7-V9 HydrophobicContact CG1-CG1 4.09Å; V7-W56 HydrophobicContact CB-CB 4.3Å; V7-W56 HydrophobicContact CG1-CB 4.37Å; V7-W56 HydrophobicContact CG2-CB 3.82Å; V7-W56 HydrophobicContact CG2-CG 4.21Å; V7-T58 HydrophobicContact CG1-CG2 3.92Å; V7-Y72 HydrophobicContact CG1-CD1 4.04Å; V7-Y72 HydrophobicContact CG1-CE1 3.97Å; V7-T75 HydrophobicContact CB-CG2 3.94Å; V7-T75 HydrophobicContact CG2-CG2 3.62Å; V7-T75 WeakPolarHBondContact CG2-OG1 3.39Å; V7-V77 PolarHBondContact N-O 2.89Å; V7-F78 HydrophobicContact CB-CD1 3.81Å; V7-F78 HydrophobicContact CB-CE1 3.69Å; V7-F78 HydrophobicContact CB-CZ 4.47Å; V7-F78 HydrophobicContact CG1-CD1 4.04Å; V7-F78 HydrophobicContact CG1-CE1 3.75Å; V7-F78 HydrophobicContact CG2-CE1 4.36Å; V7-F78 WeakPolarHBondContact O-CA 3.48Å; V7-L79 PolarHBondContact O-N 3.46Å
8V98.4Very high95.1Very high0 Ų030.6 Ų30.60%019%0.192CC..EExtended strand (participates in β ladder)trans-109.3122.3-179.9-1690000109.9K16 L20 W56 T58 L79 C81V8-K16 HydrophobicContact CG1-CB 3.85Å; V8-K16 HydrophobicContact CG1-CD 4.02Å; V8-K16 HydrophobicContact CG1-CG 3.91Å; V8-L20 HydrophobicContact CB-CD1 4.46Å; V8-L20 HydrophobicContact CG2-CD1 4.08Å; V8-L20 HydrophobicContact CG2-CD2 3.68Å; V8-L20 HydrophobicContact CG2-CG 4.2Å; V8-W56 PolarHBondContact N-O 3.43Å; V8-T58 PolarHBondContact O-OG1 3.11Å; V8-L79 HydrophobicContact CB-CB 4.48Å; V8-L79 HydrophobicContact CG1-CB 4.15Å; V8-L79 HydrophobicContact CG2-CB 4.21Å; V8-L79 HydrophobicContact CG2-CD1 3.98Å; V8-L79 HydrophobicContact CG2-CG 4.3Å; V8-C81 VanDerWaalsContact CG1-SG 3.55Å
9V98.6Very high95.1Very high0 Ų029 Ų290%018%0.182CC..EExtended strand (participates in β ladder)trans-126.4165.2179-56.50000110.7V7 K16 Y72 F78 L79 I80 C81 W97 V101V7-V9 HydrophobicContact CG1-CG1 4.09Å; V9-K16 VanDerWaalsContact C-CD 3.43Å; V9-Y72 HydrophobicContact CG1-CE1 3.88Å; V9-Y72 WeakPolarHBondContact CG1-OH 3.47Å; V9-F78 HydrophobicContact CG1-CD1 4.38Å; V9-L79 PolarHBondContact N-O 2.97Å; V9-I80 HydrophobicContact CG2-CB 4.38Å; V9-I80 HydrophobicContact CG2-CG1 3.77Å; V9-C81 PolarHBondContact O-N 3.32Å; V9-W97 HydrophobicContact CB-CE3 3.86Å; V9-W97 HydrophobicContact CB-CZ3 4.16Å; V9-W97 HydrophobicContact CG2-CE3 4.15Å; V9-V101 HydrophobicContact CG2-CG2 3.92Å
10G98.4Very high95.1Very high0 Ų027.6 Ų27.60%017%0.173CC..EExtended strand (participates in β ladder)trans141.8167.7-17500000111.8K16 G60 C81 W97G10-K16 WeakPolarHBondContact O-CE 3.48Å; G10-K16 PolarHBondContact O-NZ 3.22Å; G10-G60 WeakPolarHBondContact O-CA 3.38Å; G10-C81 WeakPolarHBondContact CA-O 3.36Å; G10-W97 WeakPolarHBondContact O-CH2 3.43Å; G10-W97 VanDerWaalsContact O-CZ2 3.24Å; G10-W97 WeakPolarHBondContact O-CZ2 3.3Å
11D98.1Very high95Very high26 Ų2628 Ų2814%0.13917%0.174CC..  trans-54.8160.8-176.3-79.515.5000113.4V14 K16 S89 N92 W97D11-V14 HydrophobicContact CB-CG1 3.61Å; D11-V14 VanDerWaalsContact O-CG2 3.28Å; D11-V14 WeakPolarHBondContact O-CG2 3.42Å; D11-K16 PolarHBondContact O-NZ 3.22Å; D11-S89 VanDerWaalsContact OD2-CA 3.26Å; D11-S89 WeakPolarHBondContact OD2-CA 3.41Å; D11-S89 WeakPolarHBondContact OD2-CB 3.37Å; D11-N92 WeakPolarHBondContact OD1-CB 3.38Å; D11-N92 PolarHBondContact OD1-ND2 3.39Å; D11-N92 PolarHBondContact OD2-ND2 3.16Å; D11-W97 PolarHBondContact OD1-NE1 2.95Å
12G94.8Very high96.1Very high34 Ų3420.8 Ų20.835%0.35114%0.138SC..THydrogen-bonded Turntrans-54145.4166.500000111.5V14 G60G12-V14 PolarHBondContact O-N 3.35Å; G12-G60 PolarHBondContact N-O 2.79Å
13A94.4Very high96.4Very high58 Ų5817.4 Ų17.448%0.47912%0.122SC..THydrogen-bonded Turntrans58.91017500000117.2G15 K116A13-G15 PolarHBondContact O-N 2.87Å; A13-K116 VanDerWaalsContact O-CE 3.25Å; A13-K116 WeakPolarHBondContact O-CE 3.25Å; A13-K116 PolarHBondContact O-NZ 2.63Å
14V97.5Very high96.2Very high3 Ų315.9 Ų15.92%0.01811%0.105CC..SBendtrans-72-13.3173.5-57.40000113D11 G12 K16 C81 T115 K116D11-V14 HydrophobicContact CB-CG1 3.61Å; D11-V14 VanDerWaalsContact O-CG2 3.28Å; D11-V14 WeakPolarHBondContact O-CG2 3.42Å; G12-V14 PolarHBondContact O-N 3.35Å; V14-K16 HydrophobicContact CG2-CD 4.34Å; V14-K16 HydrophobicContact CG2-CG 3.7Å; V14-C81 HydrophobicContact CG2-CB 4.06Å; V14-T115 WeakPolarHBondContact O-CB 2.82Å; V14-T115 PolarHBondContact O-OG1 2.87Å; V14-K116 WeakPolarHBondContact O-CE 3.4Å
15G96.2Very high95.8Very high15 Ų1519.4 Ų19.416%0.15513%0.126CC..SBendtrans99.926.417500000115.2A13 C18 L19A13-G15 PolarHBondContact O-N 2.87Å; G15-C18 PolarHBondContact O-N 3.47Å; G15-L19 WeakPolarHBondContact O-CB 3.5Å; G15-L19 PolarHBondContact O-N 3Å
16K97Very high95.3Very high9 Ų923.9 Ų23.94%0.03915%0.152CC..Hα-helixtrans-57-51.5174.7-56.3-172.5-57.9-76.60111.7V8 V9 G10 D11 V14 C18 L19 L20 T58 C81V8-K16 HydrophobicContact CG1-CB 3.85Å; V8-K16 HydrophobicContact CG1-CD 4.02Å; V8-K16 HydrophobicContact CG1-CG 3.91Å; V9-K16 VanDerWaalsContact C-CD 3.43Å; G10-K16 WeakPolarHBondContact O-CE 3.48Å; G10-K16 PolarHBondContact O-NZ 3.22Å; D11-K16 PolarHBondContact O-NZ 3.22Å; V14-K16 HydrophobicContact CG2-CD 4.34Å; V14-K16 HydrophobicContact CG2-CG 3.7Å; K16-C18 PolarHBondContact O-N 2.88Å; K16-L19 VanDerWaalsContact O-CB 3.23Å; K16-L19 WeakPolarHBondContact O-CB 3.28Å; K16-L19 PolarHBondContact O-N 3.12Å; K16-L19 VanDerWaalsContact O-N 3.16Å; K16-L20 WeakPolarHBondContact O-CG 3.2Å; K16-L20 PolarHBondContact O-N 3.32Å; K16-T58 WeakPolarHBondContact CE-O 3.34Å; K16-T58 PolarHBondContact NZ-O 3Å; K16-C81 HydrophobicContact CG-CB 4.06Å
17T95.3Very high94.8Very high24 Ų2426.2 Ų26.215%0.14717%0.171CC..Hα-helixtrans-61.7-46.3178.4-42.30000112.1L19 L20 I21 T35 D57T17-L19 VanDerWaalsContact C-N 3.29Å; T17-L19 PolarHBondContact O-N 2.92Å; T17-L20 PolarHBondContact O-N 3.39Å; T17-I21 HydrophobicContact CG2-CD1 3.79Å; T17-I21 HydrophobicContact CG2-CG1 4.43Å; T17-I21 WeakPolarHBondContact O-CB 3.44Å; T17-I21 WeakPolarHBondContact O-CG1 3.37Å; T17-I21 PolarHBondContact O-N 3.25Å; T17-T35 WeakPolarHBondContact CG2-OG1 3.41Å; T17-T35 PolarHBondContact OG1-OG1 3.24Å; T17-D57 VanDerWaalsContact CA-OD2 3.3Å; T17-D57 WeakPolarHBondContact CA-OD2 3.47Å; T17-D57 WeakPolarHBondContact CB-OD2 3.38Å; T17-D57 WeakPolarHBondContact CG2-OD2 3.4Å; T17-D57 PolarHBondContact OG1-OD2 2.87Å
18C94.9Very high94.2Very high24 Ų2430.6 Ų30.616%0.16219%0.19CC..Hα-helixtrans-60-39.6175.4-57.40000112G15 K16 S22 F28 P29 A159G15-C18 PolarHBondContact O-N 3.47Å; K16-C18 PolarHBondContact O-N 2.88Å; C18-S22 WeakPolarHBondContact O-CB 3.36Å; C18-S22 PolarHBondContact O-N 2.99Å; C18-F28 HydrophobicContact CB-CD2 4.46Å; C18-F28 HydrophobicContact CB-CE2 3.76Å; C18-F28 HydrophobicContact CB-CZ 4.28Å; C18-P29 HydrophobicContact CB-CG 4.31Å; C18-A159 HydrophobicContact CB-CB 3.96Å
19L95.7Very high93.5Very high1 Ų132 Ų321%0.00520%0.199CC..Hα-helixtrans-58.8-49.5175.8-17484.3000110.8G15 K16 T17 Y23 L79 C157 L165 F169G15-L19 WeakPolarHBondContact O-CB 3.5Å; G15-L19 PolarHBondContact O-N 3Å; K16-L19 VanDerWaalsContact O-CB 3.23Å; K16-L19 WeakPolarHBondContact O-CB 3.28Å; K16-L19 PolarHBondContact O-N 3.12Å; K16-L19 VanDerWaalsContact O-N 3.16Å; T17-L19 VanDerWaalsContact C-N 3.29Å; T17-L19 PolarHBondContact O-N 2.92Å; L19-Y23 WeakPolarHBondContact O-CB 3.42Å; L19-Y23 PolarHBondContact O-N 3.17Å; L19-Y23 VanDerWaalsContact O-N 3.12Å; L19-L79 HydrophobicContact CD2-CD1 4.1Å; L19-C157 WeakPolarHBondContact CD1-SG 3.26Å; L19-L165 HydrophobicContact CD1-CD1 3.23Å; L19-L165 HydrophobicContact CG-CD1 3.79Å; L19-F169 HydrophobicContact CD2-CZ 3.97Å; L19-F169 HydrophobicContact CG-CE2 4.18Å; L19-F169 HydrophobicContact CG-CZ 3.96Å
20L94.7Very high92.2Very high0 Ų036.1 Ų36.10%024%0.242CC..Hα-helixtrans-68.2-49-177.3-65179.8000112.1V8 K16 T17 Y23 T24 Y40 L55 D57 F169V8-L20 HydrophobicContact CB-CD1 4.46Å; V8-L20 HydrophobicContact CG2-CD1 4.08Å; V8-L20 HydrophobicContact CG2-CD2 3.68Å; V8-L20 HydrophobicContact CG2-CG 4.2Å; K16-L20 WeakPolarHBondContact O-CG 3.2Å; K16-L20 PolarHBondContact O-N 3.32Å; T17-L20 PolarHBondContact O-N 3.39Å; L20-Y23 PolarHBondContact O-N 3.45Å; L20-T24 WeakPolarHBondContact O-CG2 3.28Å; L20-T24 PolarHBondContact O-N 2.8Å; L20-T24 PolarHBondContact O-OG1 2.98Å; L20-T24 VanDerWaalsContact O-OG1 3.1Å; L20-Y40 HydrophobicContact CB-CD2 4.15Å; L20-Y40 HydrophobicContact CB-CE2 4.26Å; L20-Y40 HydrophobicContact CD1-CD2 4.3Å; L20-Y40 HydrophobicContact CD1-CE2 4.41Å; L20-L55 HydrophobicContact CD2-CB 3.95Å; L20-L55 HydrophobicContact CD2-CD1 4.13Å; L20-L55 HydrophobicContact CD2-CD2 3.84Å; L20-L55 HydrophobicContact CD2-CG 4.18Å; L20-D57 HydrophobicContact CD1-CB 3.41Å; L20-D57 VanDerWaalsContact CD1-CB 3.41Å; L20-F169 HydrophobicContact CD2-CE1 3.91Å; L20-F169 HydrophobicContact CD2-CZ 3.87Å
21I92.7Very high91.1Very high36 Ų3643.8 Ų43.819%0.18528%0.278CS..Hα-helixtrans-61.9-46.3178.6-67.3174.3000110.5T17 Y23 T24 T25 P29 Y40T17-I21 HydrophobicContact CG2-CD1 3.79Å; T17-I21 HydrophobicContact CG2-CG1 4.43Å; T17-I21 WeakPolarHBondContact O-CB 3.44Å; T17-I21 WeakPolarHBondContact O-CG1 3.37Å; T17-I21 PolarHBondContact O-N 3.25Å; I21-Y23 PolarHBondContact O-N 3.14Å; I21-T24 PolarHBondContact O-N 3.37Å; I21-T24 PolarHBondContact O-OG1 3.49Å; I21-T25 HydrophobicContact CG2-CG2 4.23Å; I21-T25 WeakPolarHBondContact O-CB 3.48Å; I21-T25 WeakPolarHBondContact O-CG2 3.49Å; I21-T25 PolarHBondContact O-N 3.17Å; I21-T25 PolarHBondContact O-OG1 3.39Å; I21-P29 HydrophobicContact CD1-CB 4.3Å; I21-P29 HydrophobicContact CD1-CG 4.37Å; I21-P29 HydrophobicContact CG2-CB 4.27Å; I21-P29 HydrophobicContact CG2-CG 4.35Å; I21-Y40 HydrophobicContact CG1-CE1 4.24Å
22S94.1Very high89.8Confident0 Ų049.1 Ų49.10%030%0.297CS..Hα-helixtrans-60.8-37.1179.6-177.40000112.2C18 N26 A27 A159 L165C18-S22 WeakPolarHBondContact O-CB 3.36Å; C18-S22 PolarHBondContact O-N 2.99Å; S22-N26 VanDerWaalsContact O-CA 3.23Å; S22-N26 WeakPolarHBondContact O-CA 3.29Å; S22-N26 PolarHBondContact O-N 3.04Å; S22-A27 VanDerWaalsContact CA-O 3.26Å; S22-A27 WeakPolarHBondContact CA-O 3.41Å; S22-A159 PolarHBondContact OG-O 3.48Å; S22-L165 VanDerWaalsContact OG-CD2 3.29Å; S22-L165 WeakPolarHBondContact OG-CD2 3.33Å
23Y94.4Very high88.8Confident29 Ų2953.5 Ų53.511%0.11431%0.311CS..Hα-helixtrans-70.6-40.5178.6176.2-108.5000112.7L19 L20 I21 A42 V44 L53 L55 L165 F169L19-Y23 WeakPolarHBondContact O-CB 3.42Å; L19-Y23 PolarHBondContact O-N 3.17Å; L19-Y23 VanDerWaalsContact O-N 3.12Å; L20-Y23 PolarHBondContact O-N 3.45Å; I21-Y23 PolarHBondContact O-N 3.14Å; Y23-A42 HydrophobicContact CE1-CB 4.04Å; Y23-V44 VanDerWaalsContact OH-CG1 3.3Å; Y23-V44 WeakPolarHBondContact OH-CG1 3.47Å; Y23-L53 HydrophobicContact CE1-CD2 4.02Å; Y23-L55 HydrophobicContact CD1-CD1 3.92Å; Y23-L55 HydrophobicContact CE1-CD1 4.29Å; Y23-L165 HydrophobicContact CD2-CG 4.36Å; Y23-F169 VanDerWaalsContact CB-CE2 3.44Å; Y23-F169 HydrophobicContact CD1-CD1 4.33Å; Y23-F169 AromaticContact CD1-CD2 3.79Å; Y23-F169 HydrophobicContact CD1-CD2 3.79Å; Y23-F169 HydrophobicContact CD1-CE1 4.41Å; Y23-F169 AromaticContact CD1-CE2 3.9Å; Y23-F169 HydrophobicContact CD1-CE2 3.9Å; Y23-F169 HydrophobicContact CD1-CG 4.01Å; Y23-F169 HydrophobicContact CD1-CZ 4.2Å; Y23-F169 HydrophobicContact CD2-CB 4.37Å; Y23-F169 AromaticContact CD2-CD2 3.22Å; Y23-F169 HydrophobicContact CD2-CD2 3.22Å; Y23-F169 AromaticContact CD2-CE2 3.69Å; Y23-F169 HydrophobicContact CD2-CE2 3.69Å; Y23-F169 AromaticContact CD2-CG 3.98Å; Y23-F169 HydrophobicContact CD2-CG 3.98Å; Y23-F169 HydrophobicContact CE1-CB 4.12Å; Y23-F169 HydrophobicContact CE1-CD1 4.27Å; Y23-F169 HydrophobicContact CE1-CD2 4.04Å; Y23-F169 AromaticContact CE1-CG 3.87Å; Y23-F169 HydrophobicContact CE1-CG 3.87Å; Y23-F169 HydrophobicContact CE2-CB 3.73Å; Y23-F169 AromaticContact CE2-CD2 3.5Å; Y23-F169 HydrophobicContact CE2-CD2 3.5Å; Y23-F169 HydrophobicContact CE2-CE2 4.38Å; Y23-F169 AromaticContact CE2-CG 3.82Å; Y23-F169 HydrophobicContact CE2-CG 3.82Å; Y23-F169 AromaticContact CG-CD2 3.35Å; Y23-F169 HydrophobicContact CG-CD2 3.35Å; Y23-F169 AromaticContact CG-CE2 3.38Å; Y23-F169 HydrophobicContact CG-CE2 3.38Å; Y23-F169 HydrophobicContact CG-CG 4.04Å; Y23-F169 HydrophobicContact CG-CZ 4.07Å; Y23-F169 AromaticContact CZ-CD2 3.89Å; Y23-F169 AromaticContact CZ-CG 3.75Å
24T91.7Very high87.9Confident42 Ų4254.2 Ų54.226%0.25831%0.311SS..Hα-helixtrans-82.2-26.5-176.556.10000113.3L20 I21 L55L20-T24 WeakPolarHBondContact O-CG2 3.28Å; L20-T24 PolarHBondContact O-N 2.8Å; L20-T24 PolarHBondContact O-OG1 2.98Å; L20-T24 VanDerWaalsContact O-OG1 3.1Å; I21-T24 PolarHBondContact O-N 3.37Å; I21-T24 PolarHBondContact O-OG1 3.49Å; T24-L55 HydrophobicContact CG2-CD1 3.6Å
25T89.6Confident87Confident78 Ų7854.7 Ų54.748%0.47931%0.313SS..Hα-helixtrans-110.5-10.2-174.766.70000114.4I21 A27I21-T25 HydrophobicContact CG2-CG2 4.23Å; I21-T25 WeakPolarHBondContact O-CB 3.48Å; I21-T25 WeakPolarHBondContact O-CG2 3.49Å; I21-T25 PolarHBondContact O-N 3.17Å; I21-T25 PolarHBondContact O-OG1 3.39Å; T25-A27 PolarHBondContact O-N 2.89Å; T25-A27 PolarHBondContact OG1-N 2.9Å; T25-A27 PolarHBondContact OG1-O 3.31Å
26N88.4Confident85.9Confident122 Ų12257.9 Ų57.965%0.65233%0.33SS*.SBendtrans54.525.9-168.4-59.4-56.9000113.6S22 Q162S22-N26 VanDerWaalsContact O-CA 3.23Å; S22-N26 WeakPolarHBondContact O-CA 3.29Å; S22-N26 PolarHBondContact O-N 3.04Å; N26-Q162 VanDerWaalsContact C-NE2 3.34Å; N26-Q162 PolarHBondContact O-NE2 3.09Å
27A86.5Confident84.4Confident50 Ų5061.3 Ų61.341%0.41335%0.345SS..SBendtrans-138.7144.7179.300000111.1S22 T25S22-A27 VanDerWaalsContact CA-O 3.26Å; S22-A27 WeakPolarHBondContact CA-O 3.41Å; T25-A27 PolarHBondContact O-N 2.89Å; T25-A27 PolarHBondContact OG1-N 2.9Å; T25-A27 PolarHBondContact OG1-O 3.31Å
28F86.4Confident83.8Confident92 Ų9263.9 Ų63.940%0.40436%0.358SS..  trans-82134174.2-170.2-97.6000110C18 G30 A159 L160C18-F28 HydrophobicContact CB-CD2 4.46Å; C18-F28 HydrophobicContact CB-CE2 3.76Å; C18-F28 HydrophobicContact CB-CZ 4.28Å; F28-G30 PolarHBondContact O-N 3.21Å; F28-A159 HydrophobicContact CD2-CB 4.03Å; F28-A159 HydrophobicContact CE2-CB 3.93Å; F28-L160 HydrophobicContact CB-CD1 4.3Å; F28-L160 HydrophobicContact CD1-CD1 3.89Å; F28-L160 VanDerWaalsContact CD2-CA 3.45Å; F28-L160 HydrophobicContact CD2-CB 4.1Å; F28-L160 HydrophobicContact CD2-CD1 4.27Å; F28-L160 HydrophobicContact CE1-CD1 4.26Å; F28-L160 HydrophobicContact CE2-CB 4.11Å; F28-L160 HydrophobicContact CG-CD1 3.88Å
29P83.7Confident83.3Confident29 Ų2966.9 Ų66.919%0.18837%0.372CS..  trans-67.2131.6179.826.9-33.5000111.1C18 I21C18-P29 HydrophobicContact CB-CG 4.31Å; I21-P29 HydrophobicContact CD1-CB 4.3Å; I21-P29 HydrophobicContact CD1-CG 4.37Å; I21-P29 HydrophobicContact CG2-CB 4.27Å; I21-P29 HydrophobicContact CG2-CG 4.35Å
30G71.9Confident83Confident86 Ų8669.7 Ų69.789%0.88738%0.383SS*.SBendtrans-77.2-28.5-17800000114.7F28F28-G30 PolarHBondContact O-N 3.21Å
31E76Confident82.8Confident162 Ų16273.7 Ų73.776%0.75741%0.411SS*.SBendtrans-116.3138.5177.8-68.2-172.9172.600111
32Y69.7Low82.7Confident138 Ų13872.9 Ų72.954%0.54141%0.409SS..  trans-87.7110.8174.7177.4-107.9000110.2P34Y32-P34 HydrophobicContact CD1-CG 4.4Å; Y32-P34 HydrophobicContact CE1-CB 4.47Å; Y32-P34 HydrophobicContact CE1-CG 3.81Å
33I73.1Confident82.7Confident125 Ų12578.3 Ų78.364%0.64144%0.439SS*.  trans-109118.2171.1-58.8173.4000107.3T35I33-T35 PolarHBondContact O-N 2.95Å
34P75.8Confident82.7Confident74 Ų7478.4 Ų78.448%0.48144%0.442SS..  trans-60.1124.1177-2332.2000112.1Y32Y32-P34 HydrophobicContact CD1-CG 4.4Å; Y32-P34 HydrophobicContact CE1-CB 4.47Å; Y32-P34 HydrophobicContact CE1-CG 3.81Å
35T79.5Confident82.8Confident12 Ų1282 Ų827%0.07446%0.457CS..  trans-74.8135.4179.3-55.20000112.3T17 I33 D57 A59T17-T35 WeakPolarHBondContact CG2-OG1 3.41Å; T17-T35 PolarHBondContact OG1-OG1 3.24Å; I33-T35 PolarHBondContact O-N 2.95Å; T35-D57 HydrophobicContact CG2-CB 4.09Å; T35-D57 WeakPolarHBondContact CG2-OD2 3.32Å; T35-D57 PolarHBondContact OG1-OD2 3.49Å; T35-A59 VanDerWaalsContact O-CB 3.3Å; T35-A59 WeakPolarHBondContact O-CB 3.18Å
36V73.7Confident83Confident83 Ų8378.3 Ų78.350%0.50344%0.435SS..SBendtrans-92.1-58.9161.2178.10000108.9A59 Y64V36-A59 PolarHBondContact O-N 3.34Å; V36-Y64 HydrophobicContact CB-CE1 4.32Å; V36-Y64 HydrophobicContact CG1-CD1 4.17Å; V36-Y64 HydrophobicContact CG1-CE1 3.65Å; V36-Y64 HydrophobicContact CG2-CE1 4.13Å
37F65.4Low83.2Confident81 Ų8177.3 Ų77.336%0.35543%0.429SS..EExtended strand (participates in β ladder)trans-165134.5174.5179.7-105.8000109.6N39 W56 D57 S71F37-N39 VanDerWaalsContact CE1-ND2 3.31Å; F37-N39 WeakPolarHBondContact CE1-ND2 3.47Å; F37-N39 WeakPolarHBondContact CZ-OD1 3.3Å; F37-W56 HydrophobicContact CE2-CB 4.41Å; F37-W56 AromaticContact CE2-CD1 3.62Å; F37-W56 HydrophobicContact CE2-CG 4.37Å; F37-W56 AromaticContact CZ-CD1 3.41Å; F37-W56 VanDerWaalsContact CZ-CD1 3.41Å; F37-W56 HydrophobicContact CZ-CG 4.35Å; F37-W56 AromaticContact CZ-NE1 3.86Å; F37-D57 VanDerWaalsContact CD2-O 3.26Å; F37-D57 WeakPolarHBondContact CD2-O 3.5Å; F37-S71 WeakPolarHBondContact CD2-OG 3.32Å; F37-S71 WeakPolarHBondContact CE2-OG 3.34Å
38D81.5Confident83.4Confident77 Ų7778 Ų7841%0.41244%0.441SS..EExtended strand (participates in β ladder)trans-143.6147.3173.8-86-50.4000110.9Y40 D57D38-Y40 HydrophobicContact CB-CE2 3.75Å; D38-D57 HydrophobicContact CB-CB 4.31Å; D38-D57 PolarHBondContact N-O 3.11Å; D38-D57 PolarHBondContact O-N 3.44Å
39N84.5Confident83.7Confident88 Ų8878.4 Ų78.447%0.47144%0.443SS..EExtended strand (participates in β ladder)trans-116.4125.8175.5-67.7-39.5000110.2F37 L55 W56F37-N39 VanDerWaalsContact CE1-ND2 3.31Å; F37-N39 WeakPolarHBondContact CE1-ND2 3.47Å; F37-N39 WeakPolarHBondContact CZ-OD1 3.3Å; N39-L55 CarbonylContact C-O 3.59Å; N39-L55 WeakPolarHBondContact CA-O 3.24Å; N39-W56 PolarHBondContact OD1-NE1 3.13Å
40Y89.1Confident84.2Confident60 Ų6080 Ų8024%0.23545%0.453CS..EExtended strand (participates in β ladder)trans-115.3163.2171.4-50.4-90.5000110.1L20 I21 D38 G54 L55 D57L20-Y40 HydrophobicContact CB-CD2 4.15Å; L20-Y40 HydrophobicContact CB-CE2 4.26Å; L20-Y40 HydrophobicContact CD1-CD2 4.3Å; L20-Y40 HydrophobicContact CD1-CE2 4.41Å; I21-Y40 HydrophobicContact CG1-CE1 4.24Å; D38-Y40 HydrophobicContact CB-CE2 3.75Å; Y40-G54 WeakPolarHBondContact O-CA 3.44Å; Y40-L55 PolarHBondContact N-O 2.68Å; Y40-L55 PolarHBondContact O-N 2.96Å; Y40-D57 HydrophobicContact CE2-CB 4.33Å
41S90.9Very high85.4Confident84 Ų8476 Ų7659%0.58741%0.411SS*.EExtended strand (participates in β ladder)trans-141.5149.3170.464.40000111.3L53S41-L53 CarbonylContact C-O 3.55Å; S41-L53 VanDerWaalsContact CA-O 3.26Å; S41-L53 WeakPolarHBondContact CA-O 3.39Å
42A91.4Very high86.4Confident18 Ų1871 Ų7115%0.14939%0.39CS..EExtended strand (participates in β ladder)trans-140.3132.3175.300000110.3Y23 V44 L53Y23-A42 HydrophobicContact CE1-CB 4.04Å; A42-V44 HydrophobicContact CB-CG1 4.1Å; A42-L53 PolarHBondContact N-O 3.12Å; A42-L53 PolarHBondContact O-N 2.91Å
43N93.9Very high87.7Confident114 Ų11464.4 Ų64.461%0.6136%0.364SS*.EExtended strand (participates in β ladder)trans-89.9115.7170.3-68.9-35.3000108.8M1 V51 N52M1-N43 PolarHBondContact SD-OD1 3.16Å; N43-V51 WeakPolarHBondContact CA-O 3.39Å; N43-N52 PolarHBondContact OD1-ND2 3.05Å
44V94.1Very high88.9Confident32 Ų3258.9 Ų58.919%0.19434%0.338CS..EExtended strand (participates in β ladder)trans-132.4153.7-171.3-65.80000111.3Y23 A42 V46 V51 L53 I173Y23-V44 VanDerWaalsContact OH-CG1 3.3Å; Y23-V44 WeakPolarHBondContact OH-CG1 3.47Å; A42-V44 HydrophobicContact CB-CG1 4.1Å; V44-V46 HydrophobicContact CG2-CG2 4.27Å; V44-V51 HydrophobicContact CG2-CB 4.21Å; V44-V51 PolarHBondContact N-O 3.22Å; V44-V51 PolarHBondContact O-N 3.07Å; V44-L53 HydrophobicContact CG2-CB 4.47Å; V44-I173 HydrophobicContact CG2-CD1 3.53Å
45M93.8Very high89.9Confident116 Ų11655.3 Ų55.357%0.57132%0.315SS*.EExtended strand (participates in β ladder)trans-105.2115.1172.8-71-66-67.800109G48 P50M45-G48 WeakPolarHBondContact CE-O 3.26Å; M45-P50 VanDerWaalsContact SD-CA 3.52Å; M45-P50 HydrophobicContact SD-CB 3.65Å; M45-P50 HydrophobicContact SD-CG 4.43Å
46V93.6Very high90.7Very high2 Ų257.6 Ų57.61%0.01232%0.322CS..EExtended strand (participates in β ladder)trans-122.3122.6175.5-179.30000108.7V44 G48 K49 I173 R174V44-V46 HydrophobicContact CG2-CG2 4.27Å; V46-G48 PolarHBondContact O-N 2.99Å; V46-K49 PolarHBondContact N-O 3.17Å; V46-K49 VanDerWaalsContact N-O 3.08Å; V46-K49 WeakPolarHBondContact O-CB 3.49Å; V46-K49 PolarHBondContact O-N 3.44Å; V46-I173 HydrophobicContact CB-CG2 3.82Å; V46-I173 HydrophobicContact CG1-CB 4.42Å; V46-I173 HydrophobicContact CG1-CG2 3.93Å; V46-I173 HydrophobicContact CG2-CB 4.2Å; V46-I173 HydrophobicContact CG2-CD1 3.6Å; V46-I173 HydrophobicContact CG2-CG2 3.92Å; V46-R174 HydrophobicContact CG1-CG 4.04Å
47D91.9Very high91.7Very high100 Ų10053.6 Ų53.654%0.53530%0.298SS..THydrogen-bonded Turntrans50.241.5-179-53.9-19.9000112.9K49 R174D47-K49 PolarHBondContact O-N 3.21Å; D47-R174 IonicContact OD1-CZ 2.99Å; D47-R174 IonicContact OD1-NE 2.93Å; D47-R174 PolarHBondContact OD1-NE 3.23Å; D47-R174 IonicContact OD1-NH2 2.63Å; D47-R174 PolarHBondContact OD1-NH2 3.44Å; D47-R174 WeakPolarHBondContact OD2-CD 3.39Å; D47-R174 WeakPolarHBondContact OD2-CG 3.31Å; D47-R174 IonicContact OD2-CZ 3.93Å; D47-R174 IonicContact OD2-NE 2.93Å; D47-R174 PolarHBondContact OD2-NE 2.65Å; D47-R174 IonicContact OD2-NH2 2.79Å
48G91.4Very high93.1Very high64 Ų6449.8 Ų49.866%0.6628%0.282SS*.THydrogen-bonded Turntrans76.31.9-179.400000115.2M45 V46M45-G48 WeakPolarHBondContact CE-O 3.26Å; V46-G48 PolarHBondContact O-N 2.99Å
49K92Very high93.6Very high102 Ų10246.3 Ų46.344%0.44326%0.264SS..EExtended strand (participates in β ladder)trans-103.3127.7-180-64.1175.5179.7177.30111.2V46 D47 V51 L177V46-K49 PolarHBondContact N-O 3.17Å; V46-K49 VanDerWaalsContact N-O 3.08Å; V46-K49 WeakPolarHBondContact O-CB 3.49Å; V46-K49 PolarHBondContact O-N 3.44Å; D47-K49 PolarHBondContact O-N 3.21Å; K49-V51 PolarHBondContact O-N 3.07Å; K49-L177 HydrophobicContact CB-CD1 4.46Å; K49-L177 HydrophobicContact CD-CD1 4.06Å
50P95.6Very high93.8Very high62 Ų6242.5 Ų42.540%0.40325%0.245SC..EExtended strand (participates in β ladder)trans-76.1123174.228.8-32.5000111.2M1 Q2 M45M1-P50 HydrophobicContact CE-CB 4.35Å; M1-P50 HydrophobicContact CG-CB 4.35Å; Q2-P50 PolarHBondContact N-O 3.31Å; M45-P50 VanDerWaalsContact SD-CA 3.52Å; M45-P50 HydrophobicContact SD-CB 3.65Å; M45-P50 HydrophobicContact SD-CG 4.43Å
51V97.1Very high93.8Very high1 Ų142.5 Ų42.51%0.00625%0.247CC..EExtended strand (participates in β ladder)trans-123.2136.4-178.4174.10000109.7Q2 I4 N43 V44 K49 L53 I173 L177Q2-V51 WeakPolarHBondContact O-CA 2.97Å; I4-V51 HydrophobicContact CB-CG1 4.15Å; I4-V51 HydrophobicContact CD1-CG1 3.73Å; I4-V51 HydrophobicContact CD1-CG2 4.37Å; I4-V51 HydrophobicContact CG1-CG1 3.91Å; N43-V51 WeakPolarHBondContact CA-O 3.39Å; V44-V51 HydrophobicContact CG2-CB 4.21Å; V44-V51 PolarHBondContact N-O 3.22Å; V44-V51 PolarHBondContact O-N 3.07Å; K49-V51 PolarHBondContact O-N 3.07Å; V51-L53 HydrophobicContact CG1-CB 4.48Å; V51-I173 HydrophobicContact CG1-CD1 4.19Å; V51-I173 HydrophobicContact CG1-CG1 4.33Å; V51-I173 HydrophobicContact CG1-CG2 4.44Å; V51-I173 HydrophobicContact CG2-CG2 4Å; V51-L177 HydrophobicContact CG2-CD1 4.15Å
52N96.8Very high93.6Very high57 Ų5745.6 Ų45.631%0.30525%0.252SS..EExtended strand (participates in β ladder)trans-96.1105.9163-177.8-32.4000107.2M1 Q2 A3 I4 N43M1-N52 HydrophobicContact CG-CB 4.16Å; M1-N52 HydrophobicContact SD-CB 3.98Å; Q2-N52 PolarHBondContact O-N 3.31Å; A3-N52 CarbonylContact C-O 3.55Å; A3-N52 WeakPolarHBondContact CA-O 3.45Å; I4-N52 PolarHBondContact N-O 3.24Å; N43-N52 PolarHBondContact OD1-ND2 3.05Å
53L97.2Very high93.6Very high0 Ų051.6 Ų51.60%028%0.282CS..EExtended strand (participates in β ladder)trans-92.4109.6178.9-177.267.7000108.7I4 C6 Y23 S41 A42 V44 V51 L55 F169 I173I4-L53 HydrophobicContact CB-CD1 4.14Å; I4-L53 HydrophobicContact CG2-CD1 3.91Å; C6-L53 HydrophobicContact CB-CD1 3.83Å; Y23-L53 HydrophobicContact CE1-CD2 4.02Å; S41-L53 CarbonylContact C-O 3.55Å; S41-L53 VanDerWaalsContact CA-O 3.26Å; S41-L53 WeakPolarHBondContact CA-O 3.39Å; A42-L53 PolarHBondContact N-O 3.12Å; A42-L53 PolarHBondContact O-N 2.91Å; V44-L53 HydrophobicContact CG2-CB 4.47Å; V51-L53 HydrophobicContact CG1-CB 4.48Å; L53-L55 HydrophobicContact CD2-CD2 3.69Å; L53-L55 HydrophobicContact CD2-CG 4.31Å; L53-L55 HydrophobicContact CG-CD2 3.87Å; L53-L55 HydrophobicContact CG-CG 4.22Å; L53-F169 HydrophobicContact CD2-CB 4.16Å; L53-F169 HydrophobicContact CD2-CD1 3.87Å; L53-F169 HydrophobicContact CD2-CG 4.35Å; L53-I173 HydrophobicContact CB-CD1 4.4Å; L53-I173 HydrophobicContact CD1-CD1 4.37Å; L53-I173 HydrophobicContact CD1-CG1 4.02Å; L53-I173 HydrophobicContact CD2-CD1 4.09Å; L53-I173 HydrophobicContact CD2-CG1 4.45Å
54G97.5Very high93.5Very high9 Ų949.4 Ų49.49%0.09327%0.266CS..EExtended strand (participates in β ladder)trans-87.3138.1166.800000110.4I4 C6 Y40 W56I4-G54 PolarHBondContact O-N 3.25Å; C6-G54 PolarHBondContact N-O 3.39Å; Y40-G54 WeakPolarHBondContact O-CA 3.44Å; G54-W56 WeakPolarHBondContact O-CZ3 3.21Å
55L96.8Very high93.4Very high0 Ų050.3 Ų50.30%027%0.269CS..EExtended strand (participates in β ladder)trans-122.7116-171.7-63.7166.7000109C6 L20 Y23 T24 N39 Y40 L53 F169C6-L55 HydrophobicContact CB-CD2 4.11Å; C6-L55 WeakPolarHBondContact O-CA 3.49Å; L20-L55 HydrophobicContact CD2-CB 3.95Å; L20-L55 HydrophobicContact CD2-CD1 4.13Å; L20-L55 HydrophobicContact CD2-CD2 3.84Å; L20-L55 HydrophobicContact CD2-CG 4.18Å; Y23-L55 HydrophobicContact CD1-CD1 3.92Å; Y23-L55 HydrophobicContact CE1-CD1 4.29Å; T24-L55 HydrophobicContact CG2-CD1 3.6Å; N39-L55 CarbonylContact C-O 3.59Å; N39-L55 WeakPolarHBondContact CA-O 3.24Å; Y40-L55 PolarHBondContact N-O 2.68Å; Y40-L55 PolarHBondContact O-N 2.96Å; L53-L55 HydrophobicContact CD2-CD2 3.69Å; L53-L55 HydrophobicContact CD2-CG 4.31Å; L53-L55 HydrophobicContact CG-CD2 3.87Å; L53-L55 HydrophobicContact CG-CG 4.22Å; L55-F169 HydrophobicContact CD2-CD1 3.88Å; L55-F169 HydrophobicContact CD2-CE1 3.55Å
56W96.6Very high93.3Very high59 Ų5955.9 Ų55.922%0.22328%0.284CS..EExtended strand (participates in β ladder)trans-102.2106.5179.5-80.6-114.7000108.8K5 C6 V7 V8 F37 N39 G54K5-W56 HydrophobicContact CB-CE3 4.34Å; K5-W56 HydrophobicContact CB-CH2 4.23Å; K5-W56 HydrophobicContact CB-CZ3 3.82Å; K5-W56 HydrophobicContact CD-CD2 4.12Å; K5-W56 HydrophobicContact CD-CE3 4.13Å; K5-W56 HydrophobicContact CD-CH2 3.96Å; K5-W56 HydrophobicContact CD-CZ2 3.95Å; K5-W56 HydrophobicContact CD-CZ3 4.01Å; K5-W56 HydrophobicContact CG-CD2 4.02Å; K5-W56 HydrophobicContact CG-CE3 3.58Å; K5-W56 HydrophobicContact CG-CH2 3.97Å; K5-W56 HydrophobicContact CG-CZ2 4.37Å; K5-W56 HydrophobicContact CG-CZ3 3.51Å; C6-W56 PolarHBondContact O-N 3.13Å; V7-W56 HydrophobicContact CB-CB 4.3Å; V7-W56 HydrophobicContact CG1-CB 4.37Å; V7-W56 HydrophobicContact CG2-CB 3.82Å; V7-W56 HydrophobicContact CG2-CG 4.21Å; V8-W56 PolarHBondContact N-O 3.43Å; F37-W56 HydrophobicContact CE2-CB 4.41Å; F37-W56 AromaticContact CE2-CD1 3.62Å; F37-W56 HydrophobicContact CE2-CG 4.37Å; F37-W56 AromaticContact CZ-CD1 3.41Å; F37-W56 VanDerWaalsContact CZ-CD1 3.41Å; F37-W56 HydrophobicContact CZ-CG 4.35Å; F37-W56 AromaticContact CZ-NE1 3.86Å; N39-W56 PolarHBondContact OD1-NE1 3.13Å; G54-W56 WeakPolarHBondContact O-CZ3 3.21Å
57D95.1Very high93.3Very high0 Ų060.6 Ų60.60%031%0.308CS..EExtended strand (participates in β ladder)trans-80.2136171.6-160.711.3000109.9T17 L20 T35 F37 D38 Y40T17-D57 VanDerWaalsContact CA-OD2 3.3Å; T17-D57 WeakPolarHBondContact CA-OD2 3.47Å; T17-D57 WeakPolarHBondContact CB-OD2 3.38Å; T17-D57 WeakPolarHBondContact CG2-OD2 3.4Å; T17-D57 PolarHBondContact OG1-OD2 2.87Å; L20-D57 HydrophobicContact CD1-CB 3.41Å; L20-D57 VanDerWaalsContact CD1-CB 3.41Å; T35-D57 HydrophobicContact CG2-CB 4.09Å; T35-D57 WeakPolarHBondContact CG2-OD2 3.32Å; T35-D57 PolarHBondContact OG1-OD2 3.49Å; F37-D57 VanDerWaalsContact CD2-O 3.26Å; F37-D57 WeakPolarHBondContact CD2-O 3.5Å; D38-D57 HydrophobicContact CB-CB 4.31Å; D38-D57 PolarHBondContact N-O 3.11Å; D38-D57 PolarHBondContact O-N 3.44Å; Y40-D57 HydrophobicContact CE2-CB 4.33Å
58T94.6Very high93.4Very high1 Ų156.1 Ų56.11%0.00628%0.284CS..EExtended strand (participates in β ladder)trans-127.5144-17971.10000112.3V7 V8 K16 G60 R68V7-T58 HydrophobicContact CG1-CG2 3.92Å; V8-T58 PolarHBondContact O-OG1 3.11Å; K16-T58 WeakPolarHBondContact CE-O 3.34Å; K16-T58 PolarHBondContact NZ-O 3Å; T58-G60 PolarHBondContact O-N 2.93Å; T58-R68 HydrophobicContact CG2-CG 4.12Å
59A91.1Very high93.7Very high4 Ų454.2 Ų54.23%0.03326%0.26CS..  trans-60.9135.4172.700000111.6T35 V36 Y64 R68T35-A59 VanDerWaalsContact O-CB 3.3Å; T35-A59 WeakPolarHBondContact O-CB 3.18Å; V36-A59 PolarHBondContact O-N 3.34Å; A59-Y64 HydrophobicContact CB-CD1 4.23Å; A59-Y64 HydrophobicContact CB-CD2 3.39Å; A59-Y64 HydrophobicContact CB-CE2 4.1Å; A59-Y64 HydrophobicContact CB-CG 3.46Å; A59-Y64 VanDerWaalsContact CB-CG 3.46Å; A59-R68 PolarHBondContact O-NE 3.21Å; A59-R68 PolarHBondContact O-NH2 2.96Å
60G88.8Confident93.8Very high8 Ų855.6 Ų55.68%0.08227%0.272CS..  trans-94.9-6.7178.600000114.4G10 G12 T58G10-G60 WeakPolarHBondContact O-CA 3.38Å; G12-G60 PolarHBondContact N-O 2.79Å; T58-G60 PolarHBondContact O-N 2.93Å
61Q88.9Confident93.8Very high59 Ų5953.3 Ų53.328%0.27626%0.257SS..SBendtrans-79.2150.7179.5-53.885.5-20.200110.9D63 Y64 R68Q61-D63 VanDerWaalsContact C-N 3.26Å; Q61-D63 PolarHBondContact O-N 2.65Å; Q61-Y64 HydrophobicContact CB-CD2 4.1Å; Q61-Y64 HydrophobicContact CB-CE2 4.49Å; Q61-Y64 PolarHBondContact O-N 2.81Å; Q61-R68 PolarHBondContact O-NH2 3.47Å; Q61-R68 VanDerWaalsContact O-NH2 3.14Å
62E87.7Confident93.8Very high149 Ų14953.4 Ų53.470%0.69626%0.258SS*.G310 helixtrans-65.2-29-178.5-62.6-175.5166.400112.8Y64 D65E62-Y64 PolarHBondContact O-N 3.11Å; E62-D65 VanDerWaalsContact O-CB 3.3Å; E62-D65 WeakPolarHBondContact O-CB 3.24Å; E62-D65 PolarHBondContact O-N 2.77Å
63D91Very high93.8Very high145 Ų14554.4 Ų54.478%0.77527%0.267SS*.G310 helixtrans-55-23.5175.8-60.6-34.9000112.9Q61Q61-D63 VanDerWaalsContact C-N 3.26Å; Q61-D63 PolarHBondContact O-N 2.65Å
64Y91.1Very high93.8Very high68 Ų6862.8 Ų62.827%0.26731%0.306SS..G310 helixtrans-104.26.3-179.3-59.4-81000113.8V36 A59 Q61 E62 R66 L67 R68V36-Y64 HydrophobicContact CB-CE1 4.32Å; V36-Y64 HydrophobicContact CG1-CD1 4.17Å; V36-Y64 HydrophobicContact CG1-CE1 3.65Å; V36-Y64 HydrophobicContact CG2-CE1 4.13Å; A59-Y64 HydrophobicContact CB-CD1 4.23Å; A59-Y64 HydrophobicContact CB-CD2 3.39Å; A59-Y64 HydrophobicContact CB-CE2 4.1Å; A59-Y64 HydrophobicContact CB-CG 3.46Å; A59-Y64 VanDerWaalsContact CB-CG 3.46Å; Q61-Y64 HydrophobicContact CB-CD2 4.1Å; Q61-Y64 HydrophobicContact CB-CE2 4.49Å; Q61-Y64 PolarHBondContact O-N 2.81Å; E62-Y64 PolarHBondContact O-N 3.11Å; Y64-R66 PolarHBondContact O-N 3.4Å; Y64-R66 VanDerWaalsContact O-N 3.14Å; Y64-L67 HydrophobicContact CD1-CD1 4.1Å; Y64-L67 PolarHBondContact O-N 3.39Å; Y64-R68 WeakPolarHBondContact O-CB 3.48Å; Y64-R68 PolarHBondContact O-N 2.96Å
65D92.1Very high93.8Very high50 Ų5062.9 Ų62.927%0.26731%0.305SS..THydrogen-bonded Turntrans-57.7-31.9-176.7-79.8-8000112.9E62 R68 P69 K96E62-D65 VanDerWaalsContact O-CB 3.3Å; E62-D65 WeakPolarHBondContact O-CB 3.24Å; E62-D65 PolarHBondContact O-N 2.77Å; D65-R68 IonicContact OD1-CZ 2.98Å; D65-R68 VanDerWaalsContact OD1-CZ 3.26Å; D65-R68 IonicContact OD1-NH1 3.47Å; D65-R68 PolarHBondContact OD1-NH1 3.05Å; D65-R68 IonicContact OD1-NH2 3.46Å; D65-R68 PolarHBondContact OD1-NH2 3.05Å; D65-P69 WeakPolarHBondContact O-CD 3.49Å; D65-K96 VanDerWaalsContact CG-NZ 3.3Å; D65-K96 WeakPolarHBondContact OD1-CE 3.24Å; D65-K96 IonicContact OD1-NZ 3.35Å; D65-K96 PolarHBondContact OD1-NZ 2.99Å; D65-K96 IonicContact OD2-NZ 2.65Å; D65-K96 PolarHBondContact OD2-NZ 2.8Å
66R92.6Very high93.9Very high234 Ų23465.8 Ų65.888%0.88332%0.321SS*.THydrogen-bonded Turntrans-81.1-24.6176.8-64.7-174.6-179.8-175.40.8113.9Y64Y64-R66 PolarHBondContact O-N 3.4Å; Y64-R66 VanDerWaalsContact O-N 3.14Å
67L92.6Very high94Very high100 Ų10063 Ų6352%0.52431%0.31SS..THydrogen-bonded Turntrans-90.6-34.9-176.9-65177.5000111.6Y64 L70Y64-L67 HydrophobicContact CD1-CD1 4.1Å; Y64-L67 PolarHBondContact O-N 3.39Å; L67-L70 HydrophobicContact CD2-CD1 4.11Å; L67-L70 WeakPolarHBondContact O-CB 3.41Å; L67-L70 VanDerWaalsContact O-CG 3.31Å; L67-L70 WeakPolarHBondContact O-CG 3.46Å; L67-L70 PolarHBondContact O-N 3.33Å
68R95.6Very high94.1Very high7 Ų763 Ų633%0.02631%0.31CS..G310 helixtrans-52.9-43.2-178.5-169.4-174.5-45.2111.47.2113.9T58 A59 Q61 Y64 D65 L70 S71 Y72 W97 E100T58-R68 HydrophobicContact CG2-CG 4.12Å; A59-R68 PolarHBondContact O-NE 3.21Å; A59-R68 PolarHBondContact O-NH2 2.96Å; Q61-R68 PolarHBondContact O-NH2 3.47Å; Q61-R68 VanDerWaalsContact O-NH2 3.14Å; Y64-R68 WeakPolarHBondContact O-CB 3.48Å; Y64-R68 PolarHBondContact O-N 2.96Å; D65-R68 IonicContact OD1-CZ 2.98Å; D65-R68 VanDerWaalsContact OD1-CZ 3.26Å; D65-R68 IonicContact OD1-NH1 3.47Å; D65-R68 PolarHBondContact OD1-NH1 3.05Å; D65-R68 IonicContact OD1-NH2 3.46Å; D65-R68 PolarHBondContact OD1-NH2 3.05Å; R68-L70 PolarHBondContact O-N 2.93Å; R68-L70 VanDerWaalsContact O-N 3.1Å; R68-S71 WeakPolarHBondContact O-CB 3.26Å; R68-S71 PolarHBondContact O-N 2.89Å; R68-Y72 WeakPolarHBondContact CD-OH 3.44Å; R68-Y72 HydrophobicContact CG-CE1 4.02Å; R68-Y72 WeakPolarHBondContact CG-OH 3.49Å; R68-W97 VanDerWaalsContact CZ-CH2 3.46Å; R68-W97 VanDerWaalsContact NH1-CZ3 3.31Å; R68-E100 WeakPolarHBondContact CD-OE1 3.31Å; R68-E100 IonicContact CZ-OE1 3.26Å; R68-E100 IonicContact NH1-OE1 3.84Å; R68-E100 PolarHBondContact NH1-OE1 3Å; R68-E100 IonicContact NH1-OE2 2.7Å; R68-E100 PolarHBondContact NH1-OE2 3.38Å
69P96.1Very high94.3Very high24 Ų2463 Ų6316%0.15631%0.31CS..G310 helixtrans-63.7-18179.8-25.136.8000114.6D65 S71 Y72 P73D65-P69 WeakPolarHBondContact O-CD 3.49Å; P69-S71 PolarHBondContact O-N 3.38Å; P69-Y72 HydrophobicContact CB-CD2 3.99Å; P69-Y72 HydrophobicContact CB-CE2 4.15Å; P69-Y72 HydrophobicContact CG-CE2 4.27Å; P69-Y72 WeakPolarHBondContact O-CB 3.44Å; P69-Y72 PolarHBondContact O-N 3.48Å; P69-Y72 VanDerWaalsContact O-N 3.09Å; P69-P73 WeakPolarHBondContact O-CD 3.13Å
70L94.7Very high94.7Very high131 Ų13162.8 Ų62.869%0.68631%0.308SS*.G310 helixtrans-64.3-21.1174.7-56.5178.1000112L67 R68 P73L67-L70 HydrophobicContact CD2-CD1 4.11Å; L67-L70 WeakPolarHBondContact O-CB 3.41Å; L67-L70 VanDerWaalsContact O-CG 3.31Å; L67-L70 WeakPolarHBondContact O-CG 3.46Å; L67-L70 PolarHBondContact O-N 3.33Å; R68-L70 PolarHBondContact O-N 2.93Å; R68-L70 VanDerWaalsContact O-N 3.1Å; L70-P73 WeakPolarHBondContact O-CD 3.47Å
71S95.6Very high95.2Very high14 Ų1462.4 Ų62.410%0.09830%0.304CS..G310 helixtrans-83.3-13.1175.9-50.80000113.4K5 F37 R68 P69K5-S71 WeakPolarHBondContact CE-O 3.46Å; K5-S71 PolarHBondContact NZ-O 3Å; F37-S71 WeakPolarHBondContact CD2-OG 3.32Å; F37-S71 WeakPolarHBondContact CE2-OG 3.34Å; R68-S71 WeakPolarHBondContact O-CB 3.26Å; R68-S71 PolarHBondContact O-N 2.89Å; P69-S71 PolarHBondContact O-N 3.38Å
72Y97.6Very high95.6Very high3 Ų359.6 Ų59.61%0.01229%0.291CS..  trans-79.5-27.2-171.9-62.4-9.6000117.2V7 V9 R68 P69 Q74 T75 F78 E100 H104V7-Y72 HydrophobicContact CG1-CD1 4.04Å; V7-Y72 HydrophobicContact CG1-CE1 3.97Å; V9-Y72 HydrophobicContact CG1-CE1 3.88Å; V9-Y72 WeakPolarHBondContact CG1-OH 3.47Å; R68-Y72 WeakPolarHBondContact CD-OH 3.44Å; R68-Y72 HydrophobicContact CG-CE1 4.02Å; R68-Y72 WeakPolarHBondContact CG-OH 3.49Å; P69-Y72 HydrophobicContact CB-CD2 3.99Å; P69-Y72 HydrophobicContact CB-CE2 4.15Å; P69-Y72 HydrophobicContact CG-CE2 4.27Å; P69-Y72 WeakPolarHBondContact O-CB 3.44Å; P69-Y72 PolarHBondContact O-N 3.48Å; P69-Y72 VanDerWaalsContact O-N 3.09Å; Y72-Q74 PolarHBondContact O-N 2.94Å; Y72-T75 WeakPolarHBondContact O-CB 3.5Å; Y72-T75 PolarHBondContact O-N 3.42Å; Y72-T75 VanDerWaalsContact O-N 3.16Å; Y72-T75 PolarHBondContact O-OG1 2.85Å; Y72-F78 AromaticContact CD1-CE1 3.61Å; Y72-F78 HydrophobicContact CD1-CE1 3.61Å; Y72-F78 AromaticContact CD1-CZ 3.89Å; Y72-F78 HydrophobicContact CD1-CZ 3.89Å; Y72-F78 AromaticContact CE1-CE1 3.76Å; Y72-F78 HydrophobicContact CE1-CE1 3.76Å; Y72-F78 HydrophobicContact CE1-CZ 4.42Å; Y72-F78 HydrophobicContact CG-CE1 4.12Å; Y72-F78 AromaticContact CG-CZ 3.96Å; Y72-F78 HydrophobicContact CG-CZ 3.96Å; Y72-E100 HydrophobicContact CE2-CG 4.28Å; Y72-E100 PolarHBondContact OH-OE1 3.49Å; Y72-H104 HydrophobicContact CD2-CB 3.65Å; Y72-H104 AromaticContact CD2-CD2 3.91Å; Y72-H104 AromaticContact CD2-CG 3.87Å; Y72-H104 HydrophobicContact CE2-CB 4.37Å; Y72-H104 AromaticContact CE2-CD2 3.92Å
73P97.1Very high96.2Very high77 Ų7752.7 Ų52.750%0.526%0.259SS..THydrogen-bonded Turntrans-52.8136.9179.5-29.436.5000112.4K5 P69 L70 T75K5-P73 PolarHBondContact NZ-O 3.03Å; P69-P73 WeakPolarHBondContact O-CD 3.13Å; L70-P73 WeakPolarHBondContact O-CD 3.47Å; P73-T75 PolarHBondContact O-N 3.38Å
74Q95.7Very high96.5Very high176 Ų17645.8 Ų45.882%0.82222%0.222SC*.THydrogen-bonded Turntrans59.926.9179.2-53.2174.6-52.900114.5Y72Y72-Q74 PolarHBondContact O-N 2.94Å
75T98.2Very high96.9Very high11 Ų1143.7 Ų43.77%0.06722%0.217CC..  trans-73.9127174.2-58.70000111.2V7 Y72 P73 V77 F78 T108V7-T75 HydrophobicContact CB-CG2 3.94Å; V7-T75 HydrophobicContact CG2-CG2 3.62Å; V7-T75 WeakPolarHBondContact CG2-OG1 3.39Å; Y72-T75 WeakPolarHBondContact O-CB 3.5Å; Y72-T75 PolarHBondContact O-N 3.42Å; Y72-T75 VanDerWaalsContact O-N 3.16Å; Y72-T75 PolarHBondContact O-OG1 2.85Å; P73-T75 PolarHBondContact O-N 3.38Å; T75-V77 WeakPolarHBondContact CG2-O 3.31Å; T75-F78 HydrophobicContact CG2-CD1 4.37Å; T75-F78 HydrophobicContact CG2-CD2 3.72Å; T75-F78 HydrophobicContact CG2-CE1 4.15Å; T75-F78 HydrophobicContact CG2-CE2 3.44Å; T75-F78 VanDerWaalsContact CG2-CE2 3.44Å; T75-F78 HydrophobicContact CG2-CG 4.18Å; T75-F78 HydrophobicContact CG2-CZ 3.67Å; T75-T108 HydrophobicContact CG2-CG2 4.18Å; T75-T108 VanDerWaalsContact O-CG2 3.24Å; T75-T108 WeakPolarHBondContact O-CG2 3.46Å; T75-T108 PolarHBondContact O-OG1 3.03Å
76D98.3Very high97.2Very high62 Ų6243.3 Ų43.333%0.33222%0.218SC..SBendtrans-85.9-32.7178.5-62.5-59.9000112I4 K5 T108 P109 V176I4-D76 WeakPolarHBondContact CA-OD2 3.41Å; I4-D76 HydrophobicContact CG2-CB 3.95Å; K5-D76 PolarHBondContact N-OD2 3.5Å; K5-D76 WeakPolarHBondContact O-CB 3.44Å; K5-D76 PolarHBondContact O-N 3.21Å; D76-T108 WeakPolarHBondContact O-CG2 3.07Å; D76-P109 WeakPolarHBondContact O-CD 3.46Å; D76-P109 WeakPolarHBondContact O-CG 3.11Å; D76-V176 HydrophobicContact CB-CG1 4.05Å; D76-V176 HydrophobicContact CB-CG2 3.87Å; D76-V176 WeakPolarHBondContact O-CG2 3.36Å
77V98.6Very high97.5Very high0 Ų033.2 Ų33.20%018%0.183CC..EExtended strand (participates in β ladder)trans-152.2144.3177.861.90000111.8I4 K5 C6 V7 T75 P109 I111 A172 V176I4-V77 HydrophobicContact CG2-CG1 4.32Å; K5-V77 PolarHBondContact O-N 3.07Å; C6-V77 WeakPolarHBondContact CA-O 3.22Å; C6-V77 HydrophobicContact CB-CG1 3.8Å; V7-V77 PolarHBondContact N-O 2.89Å; T75-V77 WeakPolarHBondContact CG2-O 3.31Å; V77-P109 HydrophobicContact CB-CG 4.2Å; V77-P109 HydrophobicContact CG2-CG 4.23Å; V77-I111 HydrophobicContact CG2-CG1 4.23Å; V77-A172 HydrophobicContact CG1-CB 4.1Å; V77-A172 HydrophobicContact CG2-CB 4.13Å; V77-V176 HydrophobicContact CB-CG2 3.79Å; V77-V176 HydrophobicContact CG1-CG2 4.07Å
78F98.8Very high97.7Very high0 Ų031.3 Ų31.30%018%0.181CC..EExtended strand (participates in β ladder)trans-106.9139.4171.5-76.1-89.7000111.7V7 V9 Y72 T75 V101 C105 T108 P109 I110 I111V7-F78 HydrophobicContact CB-CD1 3.81Å; V7-F78 HydrophobicContact CB-CE1 3.69Å; V7-F78 HydrophobicContact CB-CZ 4.47Å; V7-F78 HydrophobicContact CG1-CD1 4.04Å; V7-F78 HydrophobicContact CG1-CE1 3.75Å; V7-F78 HydrophobicContact CG2-CE1 4.36Å; V7-F78 WeakPolarHBondContact O-CA 3.48Å; V9-F78 HydrophobicContact CG1-CD1 4.38Å; Y72-F78 AromaticContact CD1-CE1 3.61Å; Y72-F78 HydrophobicContact CD1-CE1 3.61Å; Y72-F78 AromaticContact CD1-CZ 3.89Å; Y72-F78 HydrophobicContact CD1-CZ 3.89Å; Y72-F78 AromaticContact CE1-CE1 3.76Å; Y72-F78 HydrophobicContact CE1-CE1 3.76Å; Y72-F78 HydrophobicContact CE1-CZ 4.42Å; Y72-F78 HydrophobicContact CG-CE1 4.12Å; Y72-F78 AromaticContact CG-CZ 3.96Å; Y72-F78 HydrophobicContact CG-CZ 3.96Å; T75-F78 HydrophobicContact CG2-CD1 4.37Å; T75-F78 HydrophobicContact CG2-CD2 3.72Å; T75-F78 HydrophobicContact CG2-CE1 4.15Å; T75-F78 HydrophobicContact CG2-CE2 3.44Å; T75-F78 VanDerWaalsContact CG2-CE2 3.44Å; T75-F78 HydrophobicContact CG2-CG 4.18Å; T75-F78 HydrophobicContact CG2-CZ 3.67Å; F78-V101 HydrophobicContact CB-CG1 4.28Å; F78-V101 HydrophobicContact CD1-CG1 4.17Å; F78-V101 HydrophobicContact CD1-CG2 3.92Å; F78-V101 HydrophobicContact CD2-CG1 3.65Å; F78-V101 HydrophobicContact CE1-CG1 4.43Å; F78-V101 HydrophobicContact CE1-CG2 4.19Å; F78-V101 HydrophobicContact CE2-CG1 3.97Å; F78-V101 HydrophobicContact CG-CG1 3.77Å; F78-V101 HydrophobicContact CG-CG2 4.27Å; F78-V101 HydrophobicContact CZ-CG1 4.34Å; F78-C105 HydrophobicContact CE2-CB 3.57Å; F78-C105 HydrophobicContact CZ-CB 4.1Å; F78-T108 HydrophobicContact CD2-CG2 3.51Å; F78-T108 HydrophobicContact CE2-CG2 3.74Å; F78-P109 PolarHBondContact N-O 2.76Å; F78-I110 HydrophobicContact CB-CG1 4.31Å; F78-I110 WeakPolarHBondContact O-CA 3.24Å; F78-I111 PolarHBondContact O-N 2.7Å
79L98.8Very high97.9Very high0 Ų031 Ų310%018%0.18CC..EExtended strand (participates in β ladder)trans-99.6119.4158.1-54.9-173.5000108.3V7 V8 V9 L19 I111 V113 V168 F169 A172V7-L79 PolarHBondContact O-N 3.46Å; V8-L79 HydrophobicContact CB-CB 4.48Å; V8-L79 HydrophobicContact CG1-CB 4.15Å; V8-L79 HydrophobicContact CG2-CB 4.21Å; V8-L79 HydrophobicContact CG2-CD1 3.98Å; V8-L79 HydrophobicContact CG2-CG 4.3Å; V9-L79 PolarHBondContact N-O 2.97Å; L19-L79 HydrophobicContact CD2-CD1 4.1Å; L79-I111 WeakPolarHBondContact CA-O 3.37Å; L79-I111 HydrophobicContact CD2-CB 3.65Å; L79-I111 HydrophobicContact CD2-CG1 4.07Å; L79-I111 HydrophobicContact CD2-CG2 4.21Å; L79-V113 HydrophobicContact CB-CG2 4.27Å; L79-V113 HydrophobicContact CD2-CG2 4.17Å; L79-V168 HydrophobicContact CD1-CG1 3.8Å; L79-V168 HydrophobicContact CD2-CG1 4.18Å; L79-F169 HydrophobicContact CD1-CD1 4.39Å; L79-F169 HydrophobicContact CD1-CE1 3.86Å; L79-F169 HydrophobicContact CD1-CZ 4.39Å; L79-A172 HydrophobicContact CD2-CB 3.99Å
80I98.8Very high98Very high0 Ų030.4 Ų30.40%018%0.175CC..EExtended strand (participates in β ladder)trans-97112.4166.5-60.3-177.6000107.3V9 V93 W97 V101 I110 I111 L112 V113V9-I80 HydrophobicContact CG2-CB 4.38Å; V9-I80 HydrophobicContact CG2-CG1 3.77Å; I80-V93 HydrophobicContact CG2-CG1 4.11Å; I80-V93 HydrophobicContact CG2-CG2 4.17Å; I80-W97 HydrophobicContact CD1-CB 4.39Å; I80-W97 HydrophobicContact CG2-CB 3.74Å; I80-W97 HydrophobicContact CG2-CG 4.36Å; I80-V101 HydrophobicContact CD1-CG2 4.25Å; I80-V101 HydrophobicContact CG1-CG2 4.45Å; I80-I110 HydrophobicContact CB-CG2 4.39Å; I80-I110 HydrophobicContact CD1-CD1 4.05Å; I80-I110 HydrophobicContact CD1-CG2 3.73Å; I80-I110 HydrophobicContact CG1-CG2 3.84Å; I80-I111 PolarHBondContact N-O 3.41Å; I80-L112 HydrophobicContact CB-CD1 4.39Å; I80-L112 HydrophobicContact CG2-CD1 4.3Å; I80-V113 PolarHBondContact O-N 2.92Å
81C98.9Very high98.2Very high0 Ų027.9 Ų27.90%016%0.16CC..EExtended strand (participates in β ladder)trans-101.2139-176.6-65.20000111.9V8 V9 G10 V14 K16 V113 T115V8-C81 VanDerWaalsContact CG1-SG 3.55Å; V9-C81 PolarHBondContact O-N 3.32Å; G10-C81 WeakPolarHBondContact CA-O 3.36Å; V14-C81 HydrophobicContact CG2-CB 4.06Å; K16-C81 HydrophobicContact CG-CB 4.06Å; C81-V113 WeakPolarHBondContact CA-O 3.37Å; C81-T115 HydrophobicContact CB-CG2 4.14Å
82F98.9Very high98.4Very high0 Ų029.8 Ų29.80%017%0.169CC..EExtended strand (participates in β ladder)trans-136.7156.6165.872.5-85.2000109.4L84 S89 F90 V93 L112 V113 G114 T115 I137 Y154F82-L84 HydrophobicContact CE2-CD2 3.73Å; F82-L84 HydrophobicContact CZ-CD2 4Å; F82-S89 WeakPolarHBondContact CB-O 3.39Å; F82-F90 HydrophobicContact CD1-CD2 4.14Å; F82-F90 HydrophobicContact CD2-CB 3.74Å; F82-F90 AromaticContact CD2-CD2 3.67Å; F82-F90 HydrophobicContact CD2-CD2 3.67Å; F82-F90 HydrophobicContact CD2-CG 4.16Å; F82-F90 AromaticContact CE1-CD2 3.89Å; F82-F90 HydrophobicContact CE1-CD2 3.89Å; F82-F90 HydrophobicContact CE1-CE2 4.24Å; F82-F90 HydrophobicContact CE2-CB 4.13Å; F82-F90 AromaticContact CE2-CD2 3.4Å; F82-F90 HydrophobicContact CE2-CD2 3.4Å; F82-F90 HydrophobicContact CE2-CE2 4.16Å; F82-F90 HydrophobicContact CE2-CG 4.11Å; F82-F90 HydrophobicContact CG-CB 4.3Å; F82-F90 HydrophobicContact CG-CD2 4.03Å; F82-F90 AromaticContact CZ-CD2 3.51Å; F82-F90 HydrophobicContact CZ-CD2 3.51Å; F82-F90 AromaticContact CZ-CE2 3.87Å; F82-F90 HydrophobicContact CZ-CE2 3.87Å; F82-V93 HydrophobicContact CB-CG2 3.98Å; F82-V93 HydrophobicContact CD1-CG2 4.11Å; F82-V93 HydrophobicContact CG-CG2 4.3Å; F82-L112 HydrophobicContact CD1-CD1 3.87Å; F82-L112 HydrophobicContact CD1-CG 4.33Å; F82-L112 HydrophobicContact CE1-CD1 3.98Å; F82-L112 HydrophobicContact CE1-CD2 4.18Å; F82-L112 HydrophobicContact CE1-CG 3.94Å; F82-V113 WeakPolarHBondContact CD1-O 3.45Å; F82-V113 PolarHBondContact N-O 3.26Å; F82-G114 CarbonylContact O-C 3.44Å; F82-G114 WeakPolarHBondContact O-CA 3.5Å; F82-T115 PolarHBondContact O-N 3.31Å; F82-T115 PolarHBondContact O-OG1 2.72Å; F82-I137 HydrophobicContact CE2-CB 4.04Å; F82-I137 HydrophobicContact CE2-CG1 4.1Å; F82-I137 HydrophobicContact CE2-CG2 3.82Å; F82-I137 HydrophobicContact CZ-CG2 4.2Å; F82-Y154 AromaticContact CE1-CE2 3.81Å; F82-Y154 HydrophobicContact CE1-CE2 3.81Å; F82-Y154 AromaticContact CZ-CE2 3.9Å; F82-Y154 HydrophobicContact CZ-CE2 3.9Å
83S98.8Very high98.4Very high4 Ų429.7 Ų29.73%0.02817%0.169CC..EExtended strand (participates in β ladder)trans-88.7130.4177.11700000110.5V85 S86 S89 T115S83-V85 PolarHBondContact O-N 2.87Å; S83-V85 WeakPolarHBondContact OG-CG2 3.34Å; S83-V85 PolarHBondContact OG-N 3Å; S83-S86 PolarHBondContact O-N 3.42Å; S83-S89 PolarHBondContact N-OG 3Å; S83-T115 WeakPolarHBondContact CA-OG1 3.43Å
84L98.8Very high98.5Very high0 Ų031.5 Ų31.50%017%0.165CC..THydrogen-bonded Turntrans-59.9-20.4177.6-69.6174.1000112.9F82 T115 L117 P136 I137 E156F82-L84 HydrophobicContact CE2-CD2 3.73Å; F82-L84 HydrophobicContact CZ-CD2 4Å; L84-T115 WeakPolarHBondContact CB-O 3.28Å; L84-T115 WeakPolarHBondContact CG-O 3.45Å; L84-T115 PolarHBondContact N-O 3.23Å; L84-L117 HydrophobicContact CD1-CB 3.93Å; L84-L117 HydrophobicContact CD1-CD1 3.66Å; L84-L117 HydrophobicContact CD1-CG 4.42Å; L84-P136 CarbonylContact O-C 3.59Å; L84-P136 WeakPolarHBondContact O-CA 3.27Å; L84-I137 HydrophobicContact CD2-CB 4.15Å; L84-I137 HydrophobicContact CD2-CG2 4.41Å; L84-I137 PolarHBondContact O-N 2.96Å; L84-E156 HydrophobicContact CD1-CB 4.3Å; L84-E156 HydrophobicContact CD1-CG 4.18Å; L84-E156 HydrophobicContact CD2-CG 4.38Å
85V98.4Very high98.6Very high24 Ų2426.7 Ų26.715%0.14516%0.156CC..THydrogen-bonded Turntrans-10917.7178.3-600000112.9S83 L119 T125 L129 P136S83-V85 PolarHBondContact O-N 2.87Å; S83-V85 WeakPolarHBondContact OG-CG2 3.34Å; S83-V85 PolarHBondContact OG-N 3Å; V85-L119 HydrophobicContact CB-CB 4.46Å; V85-L119 HydrophobicContact CG1-CB 3.69Å; V85-L119 WeakPolarHBondContact CG1-O 3.48Å; V85-L119 HydrophobicContact CG2-CB 4.02Å; V85-L119 HydrophobicContact CG2-CD1 3.87Å; V85-T125 HydrophobicContact CB-CG2 3.62Å; V85-T125 HydrophobicContact CG1-CG2 3.56Å; V85-T125 HydrophobicContact CG2-CG2 4.09Å; V85-L129 HydrophobicContact CB-CD1 4.15Å; V85-L129 HydrophobicContact CG1-CD1 4.49Å; V85-P136 HydrophobicContact CG1-CB 4.39Å
86S98.4Very high98.6Very high42 Ų4228 Ų2829%0.29416%0.161SC..  trans-130.689.5170.3179.60000110.1S83 A88 S89 F90S83-S86 PolarHBondContact O-N 3.42Å; S86-A88 PolarHBondContact O-N 3.15Å; S86-S89 WeakPolarHBondContact CB-OG 3.5Å; S86-S89 PolarHBondContact O-N 2.79Å; S86-S89 PolarHBondContact O-OG 2.98Å; S86-F90 PolarHBondContact O-N 2.97Å
87P98.4Very high98.6Very high22 Ų2225 Ų2514%0.14315%0.145CC..Hα-helixtrans-56.6-32.4178.5-29.538.1000114.1S89 F90 E91 L134 T135 I137P87-S89 VanDerWaalsContact C-N 3.34Å; P87-S89 PolarHBondContact O-N 2.79Å; P87-F90 WeakPolarHBondContact O-CB 3.4Å; P87-F90 PolarHBondContact O-N 3.41Å; P87-E91 WeakPolarHBondContact O-CG 3.44Å; P87-E91 PolarHBondContact O-N 2.87Å; P87-L134 HydrophobicContact CB-CD2 4.41Å; P87-L134 HydrophobicContact CG-CB 4.23Å; P87-L134 HydrophobicContact CG-CD1 4.24Å; P87-L134 HydrophobicContact CG-CD2 4.4Å; P87-T135 WeakPolarHBondContact CG-O 3.46Å; P87-I137 HydrophobicContact CB-CD1 4.15Å; P87-I137 HydrophobicContact CG-CD1 4.28Å
88A98.3Very high98.6Very high60 Ų6028.5 Ų28.550%0.49616%0.158SC..Hα-helixtrans-59.8-43.3173.600000112.2S86 F90 E91 N92S86-A88 PolarHBondContact O-N 3.15Å; A88-F90 PolarHBondContact O-N 2.88Å; A88-E91 PolarHBondContact O-N 3.08Å; A88-N92 PolarHBondContact O-N 3.22Å; A88-N92 PolarHBondContact O-ND2 3.25Å
89S98.8Very high98.6Very high1 Ų131.2 Ų31.21%0.00718%0.176CC..Hα-helixtrans-65.9-28.7177.572.20000113.2D11 F82 S83 S86 P87 V93D11-S89 VanDerWaalsContact OD2-CA 3.26Å; D11-S89 WeakPolarHBondContact OD2-CA 3.41Å; D11-S89 WeakPolarHBondContact OD2-CB 3.37Å; F82-S89 WeakPolarHBondContact CB-O 3.39Å; S83-S89 PolarHBondContact N-OG 3Å; S86-S89 WeakPolarHBondContact CB-OG 3.5Å; S86-S89 PolarHBondContact O-N 2.79Å; S86-S89 PolarHBondContact O-OG 2.98Å; P87-S89 VanDerWaalsContact C-N 3.34Å; P87-S89 PolarHBondContact O-N 2.79Å; S89-V93 PolarHBondContact O-N 3.24Å
90F98.8Very high98.6Very high12 Ų1232.6 Ų32.65%0.05318%0.182CC..Hα-helixtrans-70.5-42.9174.3178.5-110.5000111.6F82 S86 P87 A88 N92 V93 I137 Q141 M145F82-F90 HydrophobicContact CD1-CD2 4.14Å; F82-F90 HydrophobicContact CD2-CB 3.74Å; F82-F90 AromaticContact CD2-CD2 3.67Å; F82-F90 HydrophobicContact CD2-CD2 3.67Å; F82-F90 HydrophobicContact CD2-CG 4.16Å; F82-F90 AromaticContact CE1-CD2 3.89Å; F82-F90 HydrophobicContact CE1-CD2 3.89Å; F82-F90 HydrophobicContact CE1-CE2 4.24Å; F82-F90 HydrophobicContact CE2-CB 4.13Å; F82-F90 AromaticContact CE2-CD2 3.4Å; F82-F90 HydrophobicContact CE2-CD2 3.4Å; F82-F90 HydrophobicContact CE2-CE2 4.16Å; F82-F90 HydrophobicContact CE2-CG 4.11Å; F82-F90 HydrophobicContact CG-CB 4.3Å; F82-F90 HydrophobicContact CG-CD2 4.03Å; F82-F90 AromaticContact CZ-CD2 3.51Å; F82-F90 HydrophobicContact CZ-CD2 3.51Å; F82-F90 AromaticContact CZ-CE2 3.87Å; F82-F90 HydrophobicContact CZ-CE2 3.87Å; S86-F90 PolarHBondContact O-N 2.97Å; P87-F90 WeakPolarHBondContact O-CB 3.4Å; P87-F90 PolarHBondContact O-N 3.41Å; A88-F90 PolarHBondContact O-N 2.88Å; F90-N92 VanDerWaalsContact C-N 3.32Å; F90-N92 PolarHBondContact O-N 3.25Å; F90-V93 VanDerWaalsContact O-CB 3.24Å; F90-V93 WeakPolarHBondContact O-CB 3.34Å; F90-V93 WeakPolarHBondContact O-CG2 3.32Å; F90-V93 PolarHBondContact O-N 2.76Å; F90-I137 HydrophobicContact CB-CD1 3.96Å; F90-I137 HydrophobicContact CB-CG1 3.9Å; F90-I137 HydrophobicContact CD1-CD1 3.73Å; F90-I137 HydrophobicContact CD1-CG1 4.33Å; F90-I137 HydrophobicContact CD2-CG1 4.49Å; F90-I137 HydrophobicContact CD2-CG2 4.08Å; F90-I137 HydrophobicContact CE1-CD1 4.4Å; F90-I137 HydrophobicContact CE2-CG2 4.09Å; F90-I137 HydrophobicContact CG-CD1 3.89Å; F90-I137 HydrophobicContact CG-CG1 4Å; F90-I137 HydrophobicContact CG-CG2 4.27Å; F90-I137 HydrophobicContact CZ-CG2 4.3Å; F90-Q141 HydrophobicContact CE1-CB 4.34Å; F90-Q141 HydrophobicContact CZ-CB 4.07Å; F90-Q141 WeakPolarHBondContact CZ-O 3.36Å; F90-M145 HydrophobicContact CD1-CE 4.22Å; F90-M145 HydrophobicContact CD2-CE 4.41Å; F90-M145 HydrophobicContact CE1-CE 3.79Å; F90-M145 HydrophobicContact CE2-CB 3.55Å; F90-M145 HydrophobicContact CE2-CE 4.01Å; F90-M145 HydrophobicContact CE2-CG 3.83Å; F90-M145 HydrophobicContact CZ-CB 3.57Å; F90-M145 HydrophobicContact CZ-CE 3.69Å; F90-M145 HydrophobicContact CZ-CG 4.14Å
91E98.6Very high98.6Very high77 Ų7732.6 Ų32.636%0.3618%0.182SC..Hα-helixtrans-64-37.5174.6-67.5-57.7143.900112.4P87 A88 V93 R94 A95P87-E91 WeakPolarHBondContact O-CG 3.44Å; P87-E91 PolarHBondContact O-N 2.87Å; A88-E91 PolarHBondContact O-N 3.08Å; E91-V93 PolarHBondContact O-N 3.47Å; E91-V93 VanDerWaalsContact O-N 3.16Å; E91-R94 WeakPolarHBondContact O-CG 3.49Å; E91-R94 PolarHBondContact O-N 2.91Å; E91-R94 IonicContact OE1-NH2 3.84Å; E91-R94 IonicContact OE2-CZ 3.09Å; E91-R94 IonicContact OE2-NE 2.95Å; E91-R94 PolarHBondContact OE2-NE 2.96Å; E91-R94 IonicContact OE2-NH2 2.63Å; E91-R94 PolarHBondContact OE2-NH2 2.85Å; E91-A95 PolarHBondContact O-N 2.99Å
92N98.8Very high98.5Very high55 Ų5535.2 Ų35.229%0.29419%0.192SC..Hα-helixtrans-64.6-17.6177.1-73.5-20.8000113.6D11 A88 F90 K96 W97D11-N92 WeakPolarHBondContact OD1-CB 3.38Å; D11-N92 PolarHBondContact OD1-ND2 3.39Å; D11-N92 PolarHBondContact OD2-ND2 3.16Å; A88-N92 PolarHBondContact O-N 3.22Å; A88-N92 PolarHBondContact O-ND2 3.25Å; F90-N92 VanDerWaalsContact C-N 3.32Å; F90-N92 PolarHBondContact O-N 3.25Å; N92-K96 WeakPolarHBondContact O-CA 3.41Å; N92-K96 WeakPolarHBondContact O-CB 3.45Å; N92-K96 PolarHBondContact O-N 2.96Å; N92-W97 VanDerWaalsContact O-CD1 3.28Å; N92-W97 PolarHBondContact O-N 3.19Å; N92-W97 VanDerWaalsContact O-N 3.07Å
93V98.8Very high98.5Very high0 Ų042.4 Ų42.40%023%0.226CC..Iπ-helixtrans-55.7-53.3171.8173.50000110.3I80 F82 S89 F90 E91 Y98 L112 M145 I149I80-V93 HydrophobicContact CG2-CG1 4.11Å; I80-V93 HydrophobicContact CG2-CG2 4.17Å; F82-V93 HydrophobicContact CB-CG2 3.98Å; F82-V93 HydrophobicContact CD1-CG2 4.11Å; F82-V93 HydrophobicContact CG-CG2 4.3Å; S89-V93 PolarHBondContact O-N 3.24Å; F90-V93 VanDerWaalsContact O-CB 3.24Å; F90-V93 WeakPolarHBondContact O-CB 3.34Å; F90-V93 WeakPolarHBondContact O-CG2 3.32Å; F90-V93 PolarHBondContact O-N 2.76Å; E91-V93 PolarHBondContact O-N 3.47Å; E91-V93 VanDerWaalsContact O-N 3.16Å; V93-Y98 WeakPolarHBondContact O-CB 3.44Å; V93-Y98 PolarHBondContact O-N 3.02Å; V93-L112 HydrophobicContact CG1-CD1 3.75Å; V93-L112 HydrophobicContact CG2-CD1 4.04Å; V93-M145 HydrophobicContact CB-CG 4.34Å; V93-M145 HydrophobicContact CB-SD 4.18Å; V93-M145 HydrophobicContact CG1-CG 3.86Å; V93-M145 HydrophobicContact CG1-SD 3.93Å; V93-I149 HydrophobicContact CG1-CD1 3.87Å; V93-I149 HydrophobicContact CG1-CG2 4.35Å
94R98.4Very high98.4Very high115 Ų11546.3 Ų46.343%0.43424%0.243SC..Iπ-helixtrans-79.4-32.1-179.560.7175.9178.7-174.73.8113.1E91 P99 M145E91-R94 WeakPolarHBondContact O-CG 3.49Å; E91-R94 PolarHBondContact O-N 2.91Å; E91-R94 IonicContact OE1-NH2 3.84Å; E91-R94 IonicContact OE2-CZ 3.09Å; E91-R94 IonicContact OE2-NE 2.95Å; E91-R94 PolarHBondContact OE2-NE 2.96Å; E91-R94 IonicContact OE2-NH2 2.63Å; E91-R94 PolarHBondContact OE2-NH2 2.85Å; R94-P99 VanDerWaalsContact O-CD 3.28Å; R94-P99 WeakPolarHBondContact O-CD 3.35Å; R94-P99 VanDerWaalsContact O-CG 3.28Å; R94-P99 WeakPolarHBondContact O-CG 3.47Å; R94-M145 HydrophobicContact CB-CE 4.37Å; R94-M145 HydrophobicContact CB-SD 3.94Å; R94-M145 HydrophobicContact CG-CE 4.11Å; R94-M145 HydrophobicContact CG-SD 4.35Å
95A98.2Very high98.3Very high75 Ų7547 Ų4762%0.6225%0.248SC*.Iπ-helixtrans-80.1-31-174.900000113.4E91E91-A95 PolarHBondContact O-N 2.99Å
96K98.1Very high98.2Very high39 Ų3949.7 Ų49.717%0.1727%0.266CS..Iπ-helixtrans-129.3-63-172.5179.1174-179.9161.20113.2D65 N92 P99 E100D65-K96 VanDerWaalsContact CG-NZ 3.3Å; D65-K96 WeakPolarHBondContact OD1-CE 3.24Å; D65-K96 IonicContact OD1-NZ 3.35Å; D65-K96 PolarHBondContact OD1-NZ 2.99Å; D65-K96 IonicContact OD2-NZ 2.65Å; D65-K96 PolarHBondContact OD2-NZ 2.8Å; N92-K96 WeakPolarHBondContact O-CA 3.41Å; N92-K96 WeakPolarHBondContact O-CB 3.45Å; N92-K96 PolarHBondContact O-N 2.96Å; K96-P99 WeakPolarHBondContact O-CD 3.17Å; K96-E100 WeakPolarHBondContact O-CB 3.44Å; K96-E100 PolarHBondContact O-N 2.78Å
97W98.6Very high98Very high0 Ų055 Ų550%029%0.291CS..Iπ-helixtrans-68.5-44.5-164.8-61.3112000113.5V9 G10 D11 R68 I80 N92 E100 V101V9-W97 HydrophobicContact CB-CE3 3.86Å; V9-W97 HydrophobicContact CB-CZ3 4.16Å; V9-W97 HydrophobicContact CG2-CE3 4.15Å; G10-W97 WeakPolarHBondContact O-CH2 3.43Å; G10-W97 VanDerWaalsContact O-CZ2 3.24Å; G10-W97 WeakPolarHBondContact O-CZ2 3.3Å; D11-W97 PolarHBondContact OD1-NE1 2.95Å; R68-W97 VanDerWaalsContact CZ-CH2 3.46Å; R68-W97 VanDerWaalsContact NH1-CZ3 3.31Å; I80-W97 HydrophobicContact CD1-CB 4.39Å; I80-W97 HydrophobicContact CG2-CB 3.74Å; I80-W97 HydrophobicContact CG2-CG 4.36Å; N92-W97 VanDerWaalsContact O-CD1 3.28Å; N92-W97 PolarHBondContact O-N 3.19Å; N92-W97 VanDerWaalsContact O-N 3.07Å; W97-E100 PolarHBondContact O-N 2.56Å; W97-V101 WeakPolarHBondContact O-CB 3.47Å; W97-V101 WeakPolarHBondContact O-CG2 3.47Å; W97-V101 PolarHBondContact O-N 3.23Å
98Y98.7Very high98Very high72 Ų7255 Ų5528%0.28229%0.291SS..Hα-helixtrans-64.1-50.6176.7167.1-104.8000112.3V93 E100 V101 R102 I110 I149V93-Y98 WeakPolarHBondContact O-CB 3.44Å; V93-Y98 PolarHBondContact O-N 3.02Å; Y98-E100 VanDerWaalsContact C-N 3.32Å; Y98-E100 PolarHBondContact O-N 2.62Å; Y98-V101 PolarHBondContact O-N 3.37Å; Y98-R102 HydrophobicContact CD2-CG 3.73Å; Y98-R102 HydrophobicContact CE1-CG 4.34Å; Y98-R102 HydrophobicContact CE2-CG 3.32Å; Y98-R102 HydrophobicContact CG-CG 4.44Å; Y98-R102 WeakPolarHBondContact O-CB 3.2Å; Y98-R102 WeakPolarHBondContact O-CG 3.16Å; Y98-R102 PolarHBondContact O-N 3.39Å; Y98-I110 HydrophobicContact CD2-CD1 4.05Å; Y98-I110 HydrophobicContact CE2-CD1 4.41Å; Y98-I149 HydrophobicContact CD1-CB 4.34Å; Y98-I149 HydrophobicContact CD1-CG2 4.17Å; Y98-I149 HydrophobicContact CD2-CB 3.58Å; Y98-I149 HydrophobicContact CD2-CG1 4.46Å; Y98-I149 HydrophobicContact CD2-CG2 4.16Å; Y98-I149 HydrophobicContact CE2-CB 3.82Å; Y98-I149 WeakPolarHBondContact CE2-O 3.19Å; Y98-I149 HydrophobicContact CG-CB 3.82Å; Y98-I149 HydrophobicContact CG-CG2 3.85Å
99P98.5Very high98Very high57 Ų5753.5 Ų53.537%0.3728%0.276SS..Hα-helixtrans-54.8-44174.1-28.134.6000113.6R94 K96 R102 H103R94-P99 VanDerWaalsContact O-CD 3.28Å; R94-P99 WeakPolarHBondContact O-CD 3.35Å; R94-P99 VanDerWaalsContact O-CG 3.28Å; R94-P99 WeakPolarHBondContact O-CG 3.47Å; K96-P99 WeakPolarHBondContact O-CD 3.17Å; P99-R102 PolarHBondContact O-N 2.58Å; P99-H103 VanDerWaalsContact O-CB 3.32Å; P99-H103 WeakPolarHBondContact O-CB 3.42Å; P99-H103 PolarHBondContact O-N 3.48Å
100E98.4Very high98Very high29 Ų2953.5 Ų53.514%0.13628%0.276CS..Hα-helixtrans-63-50.8179.9-173-178.1117.500111.7R68 Y72 K96 W97 Y98 R102 H103 H104R68-E100 WeakPolarHBondContact CD-OE1 3.31Å; R68-E100 IonicContact CZ-OE1 3.26Å; R68-E100 IonicContact NH1-OE1 3.84Å; R68-E100 PolarHBondContact NH1-OE1 3Å; R68-E100 IonicContact NH1-OE2 2.7Å; R68-E100 PolarHBondContact NH1-OE2 3.38Å; Y72-E100 HydrophobicContact CE2-CG 4.28Å; Y72-E100 PolarHBondContact OH-OE1 3.49Å; K96-E100 WeakPolarHBondContact O-CB 3.44Å; K96-E100 PolarHBondContact O-N 2.78Å; W97-E100 PolarHBondContact O-N 2.56Å; Y98-E100 VanDerWaalsContact C-N 3.32Å; Y98-E100 PolarHBondContact O-N 2.62Å; E100-R102 VanDerWaalsContact C-N 3.3Å; E100-R102 PolarHBondContact O-N 2.99Å; E100-H103 WeakPolarHBondContact O-CB 3.47Å; E100-H103 PolarHBondContact O-N 2.93Å; E100-H104 PolarHBondContact O-CD2 2.93Å; E100-H104 PolarHBondContact O-N 3.46Å
101V98.3Very high98Very high0 Ų052.9 Ų52.90%027%0.273CS..Hα-helixtrans-60-42.4177.6169.90000110.6V9 F78 I80 W97 Y98 H104 C105 I110V9-V101 HydrophobicContact CG2-CG2 3.92Å; F78-V101 HydrophobicContact CB-CG1 4.28Å; F78-V101 HydrophobicContact CD1-CG1 4.17Å; F78-V101 HydrophobicContact CD1-CG2 3.92Å; F78-V101 HydrophobicContact CD2-CG1 3.65Å; F78-V101 HydrophobicContact CE1-CG1 4.43Å; F78-V101 HydrophobicContact CE1-CG2 4.19Å; F78-V101 HydrophobicContact CE2-CG1 3.97Å; F78-V101 HydrophobicContact CG-CG1 3.77Å; F78-V101 HydrophobicContact CG-CG2 4.27Å; F78-V101 HydrophobicContact CZ-CG1 4.34Å; I80-V101 HydrophobicContact CD1-CG2 4.25Å; I80-V101 HydrophobicContact CG1-CG2 4.45Å; W97-V101 WeakPolarHBondContact O-CB 3.47Å; W97-V101 WeakPolarHBondContact O-CG2 3.47Å; W97-V101 PolarHBondContact O-N 3.23Å; Y98-V101 PolarHBondContact O-N 3.37Å; V101-H104 PolarHBondContact O-N 3.23Å; V101-C105 CarbonylContact O-C 3.38Å; V101-C105 WeakPolarHBondContact O-CA 3.31Å; V101-C105 WeakPolarHBondContact O-CB 3.14Å; V101-C105 PolarHBondContact O-N 2.98Å; V101-I110 HydrophobicContact CB-CD1 4.46Å; V101-I110 HydrophobicContact CG1-CD1 3.77Å; V101-I110 HydrophobicContact CG1-CG1 4.12Å
102R97.8Very high98Very high55 Ų5549.2 Ų49.221%0.20826%0.256CS..Hα-helixtrans-71-30.3179.5-71.8-62.2-179.5-140.4-2.8113.7Y98 P99 E100 P106 T108 I110Y98-R102 HydrophobicContact CD2-CG 3.73Å; Y98-R102 HydrophobicContact CE1-CG 4.34Å; Y98-R102 HydrophobicContact CE2-CG 3.32Å; Y98-R102 HydrophobicContact CG-CG 4.44Å; Y98-R102 WeakPolarHBondContact O-CB 3.2Å; Y98-R102 WeakPolarHBondContact O-CG 3.16Å; Y98-R102 PolarHBondContact O-N 3.39Å; P99-R102 PolarHBondContact O-N 2.58Å; E100-R102 VanDerWaalsContact C-N 3.3Å; E100-R102 PolarHBondContact O-N 2.99Å; R102-P106 PolarHBondContact NH1-O 2.83Å; R102-P106 WeakPolarHBondContact O-CA 3.25Å; R102-T108 PolarHBondContact NH1-O 2.68Å; R102-I110 VanDerWaalsContact NH2-CD1 3.33Å
103H97.8Very high98Very high151 Ų15146.6 Ų46.670%0.69924%0.242SC*.Hα-helixtrans-63.3-45.6174.9178.870.6000111.3P99 E100P99-H103 VanDerWaalsContact O-CB 3.32Å; P99-H103 WeakPolarHBondContact O-CB 3.42Å; P99-H103 PolarHBondContact O-N 3.48Å; E100-H103 WeakPolarHBondContact O-CB 3.47Å; E100-H103 PolarHBondContact O-N 2.93Å
104H97.8Very high98Very high87 Ų8746.6 Ų46.640%0.40324%0.242SC..Hα-helixtrans-88.8-32.3-177.2-69.3-72.2000114.2Y72 E100 V101Y72-H104 HydrophobicContact CD2-CB 3.65Å; Y72-H104 AromaticContact CD2-CD2 3.91Å; Y72-H104 AromaticContact CD2-CG 3.87Å; Y72-H104 HydrophobicContact CE2-CB 4.37Å; Y72-H104 AromaticContact CE2-CD2 3.92Å; E100-H104 PolarHBondContact O-CD2 2.93Å; E100-H104 PolarHBondContact O-N 3.46Å; V101-H104 PolarHBondContact O-N 3.23Å
105C97.3Very high98Very high14 Ų1441.4 Ų41.410%0.09522%0.223CC..  trans-135.871-172.2-64.40000111.1F78 V101 N107 T108F78-C105 HydrophobicContact CE2-CB 3.57Å; F78-C105 HydrophobicContact CZ-CB 4.1Å; V101-C105 CarbonylContact O-C 3.38Å; V101-C105 WeakPolarHBondContact O-CA 3.31Å; V101-C105 WeakPolarHBondContact O-CB 3.14Å; V101-C105 PolarHBondContact O-N 2.98Å; C105-N107 VanDerWaalsContact C-N 3.27Å; C105-N107 PolarHBondContact O-N 2.7Å; C105-N107 VanDerWaalsContact O-N 3.16Å; C105-T108 PolarHBondContact O-N 2.97Å
106P96.1Very high98Very high81 Ų8141 Ų4153%0.52621%0.207SC..THydrogen-bonded Turntrans-62.7-29.9-167.922.4-34.1000114.3R102R102-P106 PolarHBondContact NH1-O 2.83Å; R102-P106 WeakPolarHBondContact O-CA 3.25Å
107N94.4Very high98Very high153 Ų15339.9 Ų39.982%0.81820%0.203SC*.THydrogen-bonded Turntrans-106.4-5.4-173.7-59.6-45.5000114C105C105-N107 VanDerWaalsContact C-N 3.27Å; C105-N107 PolarHBondContact O-N 2.7Å; C105-N107 VanDerWaalsContact O-N 3.16Å
108T97.4Very high98Very high22 Ų2242.3 Ų42.314%0.13522%0.216CC..SBendtrans-72.3133.7-175.4-55.90000110.2T75 D76 F78 R102 C105T75-T108 HydrophobicContact CG2-CG2 4.18Å; T75-T108 VanDerWaalsContact O-CG2 3.24Å; T75-T108 WeakPolarHBondContact O-CG2 3.46Å; T75-T108 PolarHBondContact O-OG1 3.03Å; D76-T108 WeakPolarHBondContact O-CG2 3.07Å; F78-T108 HydrophobicContact CD2-CG2 3.51Å; F78-T108 HydrophobicContact CE2-CG2 3.74Å; R102-T108 PolarHBondContact NH1-O 2.68Å; C105-T108 PolarHBondContact O-N 2.97Å
109P98Very high98Very high29 Ų2941.1 Ų41.119%0.18821%0.214CC..  trans-61.2146.617724.7-34.3000111.6D76 V77 F78 V152 A175D76-P109 WeakPolarHBondContact O-CD 3.46Å; D76-P109 WeakPolarHBondContact O-CG 3.11Å; V77-P109 HydrophobicContact CB-CG 4.2Å; V77-P109 HydrophobicContact CG2-CG 4.23Å; F78-P109 PolarHBondContact N-O 2.76Å; P109-V152 HydrophobicContact CB-CG2 3.75Å; P109-A175 HydrophobicContact CB-CB 4.17Å; P109-A175 HydrophobicContact CG-CB 4.49Å
110I98.6Very high98Very high0 Ų040.2 Ų40.20%020%0.204CC..EExtended strand (participates in β ladder)trans-122.3132.5179.5-63.5176.3000108.3F78 I80 Y98 V101 R102 I149 A151 V152F78-I110 HydrophobicContact CB-CG1 4.31Å; F78-I110 WeakPolarHBondContact O-CA 3.24Å; I80-I110 HydrophobicContact CB-CG2 4.39Å; I80-I110 HydrophobicContact CD1-CD1 4.05Å; I80-I110 HydrophobicContact CD1-CG2 3.73Å; I80-I110 HydrophobicContact CG1-CG2 3.84Å; Y98-I110 HydrophobicContact CD2-CD1 4.05Å; Y98-I110 HydrophobicContact CE2-CD1 4.41Å; V101-I110 HydrophobicContact CB-CD1 4.46Å; V101-I110 HydrophobicContact CG1-CD1 3.77Å; V101-I110 HydrophobicContact CG1-CG1 4.12Å; R102-I110 VanDerWaalsContact NH2-CD1 3.33Å; I110-I149 HydrophobicContact CG2-CD1 4.48Å; I110-A151 HydrophobicContact CG2-CB 4.3Å; I110-A151 CarbonylContact O-C 3.52Å; I110-A151 WeakPolarHBondContact O-CA 3.33Å; I110-A151 WeakPolarHBondContact O-CB 3.3Å; I110-V152 PolarHBondContact O-N 3.21Å
111I98.7Very high97.8Very high0 Ų045 Ų450%023%0.23CC..EExtended strand (participates in β ladder)trans-106.2127.6163.5-52.6-63.8000107.5V77 F78 L79 I80 V113 V152 K153 L155 A172 A175V77-I111 HydrophobicContact CG2-CG1 4.23Å; F78-I111 PolarHBondContact O-N 2.7Å; L79-I111 WeakPolarHBondContact CA-O 3.37Å; L79-I111 HydrophobicContact CD2-CB 3.65Å; L79-I111 HydrophobicContact CD2-CG1 4.07Å; L79-I111 HydrophobicContact CD2-CG2 4.21Å; I80-I111 PolarHBondContact N-O 3.41Å; I111-V113 HydrophobicContact CG2-CG2 3.96Å; I111-V152 HydrophobicContact CD1-CB 3.96Å; I111-V152 HydrophobicContact CD1-CG1 4.37Å; I111-K153 HydrophobicContact CD1-CB 3.99Å; I111-L155 HydrophobicContact CG2-CD1 4.06Å; I111-A172 HydrophobicContact CG1-CB 4.25Å; I111-A175 HydrophobicContact CD1-CB 4.27Å
112L98.9Very high97.8Very high0 Ų047.7 Ų47.70%024%0.244CC..EExtended strand (participates in β ladder)trans-87.5128.5172.3-177.665.5000108.9I80 F82 V93 M145 A146 I149 A151 K153 Y154 L155I80-L112 HydrophobicContact CB-CD1 4.39Å; I80-L112 HydrophobicContact CG2-CD1 4.3Å; F82-L112 HydrophobicContact CD1-CD1 3.87Å; F82-L112 HydrophobicContact CD1-CG 4.33Å; F82-L112 HydrophobicContact CE1-CD1 3.98Å; F82-L112 HydrophobicContact CE1-CD2 4.18Å; F82-L112 HydrophobicContact CE1-CG 3.94Å; V93-L112 HydrophobicContact CG1-CD1 3.75Å; V93-L112 HydrophobicContact CG2-CD1 4.04Å; L112-M145 HydrophobicContact CD2-CB 3.87Å; L112-M145 HydrophobicContact CD2-CG 3.68Å; L112-A146 HydrophobicContact CB-CB 4.26Å; L112-A146 HydrophobicContact CD2-CB 3.89Å; L112-I149 HydrophobicContact CB-CD1 4.39Å; L112-I149 HydrophobicContact CD1-CD1 4.19Å; L112-I149 HydrophobicContact CD2-CD1 4.47Å; L112-A151 HydrophobicContact CB-CB 4.16Å; L112-K153 PolarHBondContact N-O 3.36Å; L112-Y154 HydrophobicContact CB-CD2 4.09Å; L112-Y154 HydrophobicContact CD2-CD2 3.88Å; L112-Y154 HydrophobicContact CD2-CE2 4.31Å; L112-Y154 HydrophobicContact CG-CD2 3.86Å; L112-Y154 HydrophobicContact CG-CE2 4.28Å; L112-Y154 WeakPolarHBondContact O-CA 3.22Å; L112-Y154 WeakPolarHBondContact O-CD2 3.39Å; L112-L155 PolarHBondContact O-N 2.92Å
113V98.9Very high97.8Very high0 Ų052.6 Ų52.60%027%0.267CS..EExtended strand (participates in β ladder)trans-125116.9-174.1-173.70000111.1L79 I80 C81 F82 I111 T115 L155 V168L79-V113 HydrophobicContact CB-CG2 4.27Å; L79-V113 HydrophobicContact CD2-CG2 4.17Å; I80-V113 PolarHBondContact O-N 2.92Å; C81-V113 WeakPolarHBondContact CA-O 3.37Å; F82-V113 WeakPolarHBondContact CD1-O 3.45Å; F82-V113 PolarHBondContact N-O 3.26Å; I111-V113 HydrophobicContact CG2-CG2 3.96Å; V113-T115 HydrophobicContact CG1-CG2 4.17Å; V113-L155 CarbonylContact C-O 3.51Å; V113-L155 VanDerWaalsContact CA-O 3.31Å; V113-L155 WeakPolarHBondContact CA-O 3.48Å; V113-V168 HydrophobicContact CG1-CG1 4.36Å; V113-V168 HydrophobicContact CG1-CG2 4.07Å; V113-V168 HydrophobicContact CG2-CG1 3.86Å
114G98.9Very high97.8Very high0 Ų050 Ų500%026%0.259CS..EExtended strand (participates in β ladder)trans-86.7110.716800000110.9F82 L155 E156 C157F82-G114 CarbonylContact O-C 3.44Å; F82-G114 WeakPolarHBondContact O-CA 3.5Å; G114-L155 PolarHBondContact N-O 3.36Å; G114-E156 CarbonylContact O-C 3.3Å; G114-E156 WeakPolarHBondContact O-CA 3.06Å; G114-C157 PolarHBondContact O-N 2.9Å
115T98.8Very high97.8Very high5 Ų547 Ų473%0.03125%0.247CC..EExtended strand (participates in β ladder)trans-92.9169.2-178.263.30000112V14 C81 F82 S83 L84 V113 L117 C157V14-T115 WeakPolarHBondContact O-CB 2.82Å; V14-T115 PolarHBondContact O-OG1 2.87Å; C81-T115 HydrophobicContact CB-CG2 4.14Å; F82-T115 PolarHBondContact O-N 3.31Å; F82-T115 PolarHBondContact O-OG1 2.72Å; S83-T115 WeakPolarHBondContact CA-OG1 3.43Å; L84-T115 WeakPolarHBondContact CB-O 3.28Å; L84-T115 WeakPolarHBondContact CG-O 3.45Å; L84-T115 PolarHBondContact N-O 3.23Å; V113-T115 HydrophobicContact CG1-CG2 4.17Å; T115-L117 VanDerWaalsContact C-N 3.34Å; T115-L117 PolarHBondContact O-N 3.11Å; T115-C157 CarbonylContact C-O 3.57Å; T115-C157 WeakPolarHBondContact CA-O 3.42Å
116K98.3Very high97.8Very high67 Ų6749.6 Ų49.629%0.29126%0.258SS..  trans59.741.1179.1-45.6-166.8-171.2-173.10113.1A13 V14 D118 L119 C157A13-K116 VanDerWaalsContact O-CE 3.25Å; A13-K116 WeakPolarHBondContact O-CE 3.25Å; A13-K116 PolarHBondContact O-NZ 2.63Å; V14-K116 WeakPolarHBondContact O-CE 3.4Å; K116-D118 PolarHBondContact O-N 2.54Å; K116-L119 HydrophobicContact CB-CB 4.49Å; K116-L119 HydrophobicContact CB-CD1 4.02Å; K116-L119 HydrophobicContact CB-CG 4.25Å; K116-L119 HydrophobicContact CD-CD1 3.92Å; K116-L119 PolarHBondContact O-N 3.02Å; K116-C157 PolarHBondContact N-O 3.16Å; K116-C157 VanDerWaalsContact N-O 3.11Å
117L98.6Very high97.9Very high16 Ų1651.3 Ų51.38%0.08426%0.26CS..G310 helixtrans-55.5-31.4178.1178.861.5000113.4L84 T115 L119 R120 E156 C157 R163L84-L117 HydrophobicContact CD1-CB 3.93Å; L84-L117 HydrophobicContact CD1-CD1 3.66Å; L84-L117 HydrophobicContact CD1-CG 4.42Å; T115-L117 VanDerWaalsContact C-N 3.34Å; T115-L117 PolarHBondContact O-N 3.11Å; L117-L119 PolarHBondContact O-N 3.39Å; L117-R120 VanDerWaalsContact CD1-NH1 3.32Å; L117-R120 WeakPolarHBondContact O-CB 3.39Å; L117-R120 PolarHBondContact O-N 3.42Å; L117-E156 HydrophobicContact CD1-CB 4.38Å; L117-E156 WeakPolarHBondContact CD1-OE2 3.45Å; L117-E156 HydrophobicContact CD2-CB 4.26Å; L117-C157 WeakPolarHBondContact CB-O 3.13Å; L117-C157 PolarHBondContact N-O 2.89Å; L117-C157 VanDerWaalsContact N-O 3.08Å; L117-R163 HydrophobicContact CD2-CG 4.35Å
118D98.1Very high98Very high51 Ų5150.1 Ų50.127%0.27325%0.247SC..G310 helixtrans-57.8-28.2173.950.8-72000113.5K116 S158 T161K116-D118 PolarHBondContact O-N 2.54Å; D118-S158 VanDerWaalsContact CG-OG 3.23Å; D118-S158 WeakPolarHBondContact OD1-CB 3.31Å; D118-S158 PolarHBondContact OD1-OG 2.99Å; D118-T161 HydrophobicContact CB-CG2 4.07Å
119L98.2Very high98Very high47 Ų4749.8 Ų49.825%0.24624%0.244CC..G310 helixtrans-89-7.1-178.2-58.3-177.5000113.9V85 K116 L117 D121 D122 T125V85-L119 HydrophobicContact CB-CB 4.46Å; V85-L119 HydrophobicContact CG1-CB 3.69Å; V85-L119 WeakPolarHBondContact CG1-O 3.48Å; V85-L119 HydrophobicContact CG2-CB 4.02Å; V85-L119 HydrophobicContact CG2-CD1 3.87Å; K116-L119 HydrophobicContact CB-CB 4.49Å; K116-L119 HydrophobicContact CB-CD1 4.02Å; K116-L119 HydrophobicContact CB-CG 4.25Å; K116-L119 HydrophobicContact CD-CD1 3.92Å; K116-L119 PolarHBondContact O-N 3.02Å; L117-L119 PolarHBondContact O-N 3.39Å; L119-D121 VanDerWaalsContact C-N 3.3Å; L119-D121 PolarHBondContact O-N 2.9Å; L119-D122 HydrophobicContact CD2-CB 4.34Å; L119-D122 PolarHBondContact O-N 2.92Å; L119-T125 HydrophobicContact CB-CG2 4.29Å
120R97.9Very high97.9Very high38 Ų3856 Ų5614%0.14327%0.269CS..SBendtrans-61.4-41.9-178175179.2-75.4155.1-4.3111.9L117 P136 I137 E156L117-R120 VanDerWaalsContact CD1-NH1 3.32Å; L117-R120 WeakPolarHBondContact O-CB 3.39Å; L117-R120 PolarHBondContact O-N 3.42Å; R120-P136 HydrophobicContact CG-CB 4.13Å; R120-I137 PolarHBondContact NE-O 3.21Å; R120-I137 VanDerWaalsContact NE-O 3.11Å; R120-I137 PolarHBondContact NH2-O 3.05Å; R120-E156 IonicContact CZ-OE1 2.7Å; R120-E156 IonicContact CZ-OE2 2.76Å; R120-E156 IonicContact NH1-OE1 3.43Å; R120-E156 PolarHBondContact NH1-OE1 3.37Å; R120-E156 IonicContact NH1-OE2 2.68Å; R120-E156 PolarHBondContact NH1-OE2 2.96Å; R120-E156 IonicContact NH2-OE1 3.03Å; R120-E156 PolarHBondContact NH2-OE1 2.65Å; R120-E156 IonicContact NH2-OE2 3.82Å; R120-E156 PolarHBondContact NH2-OE2 3.26Å
121D95.9Very high97.9Very high128 Ų12863.7 Ų63.768%0.68430%0.304SS*.SBendtrans-103.67.6-176.4-56.6-45.4000111.9L119L119-D121 VanDerWaalsContact C-N 3.3Å; L119-D121 PolarHBondContact O-N 2.9Å
122D97.8Very high97.8Very high57 Ų5771 Ų7131%0.30534%0.336SS..  trans-73.4125177.7174.361000110.8L119 D124 T125 I126L119-D122 HydrophobicContact CD2-CB 4.34Å; L119-D122 PolarHBondContact O-N 2.92Å; D122-D124 PolarHBondContact O-N 2.65Å; D122-T125 PolarHBondContact O-N 2.97Å; D122-T125 WeakPolarHBondContact OD2-CB 3.46Å; D122-T125 PolarHBondContact OD2-N 2.78Å; D122-T125 PolarHBondContact OD2-OG1 2.95Å; D122-I126 VanDerWaalsContact O-CG1 3.26Å; D122-I126 WeakPolarHBondContact O-CG1 3.49Å; D122-I126 PolarHBondContact O-N 2.79Å
123K97.6Very high97.7Very high159 Ų15980.5 Ų80.569%0.69138%0.377SS*.Hα-helixtrans-61.6-49-172.5-68.6-177.7-180177.90111.9T125 I126 E127K123-T125 VanDerWaalsContact C-N 3.29Å; K123-T125 PolarHBondContact O-N 2.86Å; K123-I126 PolarHBondContact O-N 3.46Å; K123-E127 WeakPolarHBondContact O-CB 3.41Å; K123-E127 WeakPolarHBondContact O-CG 3.33Å; K123-E127 PolarHBondContact O-N 3.14Å
124D97.6Very high97.7Very high97 Ų9784 Ų8452%0.51940%0.395SS..Hα-helixtrans-63.2-39.5-178-66.2-2000110.9D122 K128D122-D124 PolarHBondContact O-N 2.65Å; D124-K128 WeakPolarHBondContact O-CB 3.19Å; D124-K128 WeakPolarHBondContact O-CD 3.47Å; D124-K128 VanDerWaalsContact O-CG 3.24Å; D124-K128 WeakPolarHBondContact O-CG 3.13Å; D124-K128 PolarHBondContact O-N 3.32Å
125T97.1Very high97.6Very high24 Ų2488.5 Ų88.515%0.14742%0.424CS..Hα-helixtrans-66.5-43.5176.4-60.10000111.8V85 L119 D122 K123 K128 L129V85-T125 HydrophobicContact CB-CG2 3.62Å; V85-T125 HydrophobicContact CG1-CG2 3.56Å; V85-T125 HydrophobicContact CG2-CG2 4.09Å; L119-T125 HydrophobicContact CB-CG2 4.29Å; D122-T125 PolarHBondContact O-N 2.97Å; D122-T125 WeakPolarHBondContact OD2-CB 3.46Å; D122-T125 PolarHBondContact OD2-N 2.78Å; D122-T125 PolarHBondContact OD2-OG1 2.95Å; K123-T125 VanDerWaalsContact C-N 3.29Å; K123-T125 PolarHBondContact O-N 2.86Å; T125-K128 PolarHBondContact O-N 3.23Å; T125-L129 HydrophobicContact CG2-CD1 4.3Å; T125-L129 WeakPolarHBondContact O-CG 3.45Å; T125-L129 PolarHBondContact O-N 3.49Å
126I97.4Very high97.6Very high67 Ų6789.1 Ų89.134%0.34443%0.428SS..Hα-helixtrans-61.7-44.5176.1-70.1164.2000110.7D122 K123 L129 K130 P136D122-I126 VanDerWaalsContact O-CG1 3.26Å; D122-I126 WeakPolarHBondContact O-CG1 3.49Å; D122-I126 PolarHBondContact O-N 2.79Å; K123-I126 PolarHBondContact O-N 3.46Å; I126-L129 PolarHBondContact O-N 2.88Å; I126-K130 WeakPolarHBondContact O-CB 3.42Å; I126-K130 PolarHBondContact O-N 2.97Å; I126-P136 HydrophobicContact CG1-CG 4.08Å
127E97.8Very high97.6Very high118 Ų11886.2 Ų86.255%0.55142%0.415SS*.Hα-helixtrans-61.3-48.3178.9-74.6177-17200111.5K123 L129 K130 E131K123-E127 WeakPolarHBondContact O-CB 3.41Å; K123-E127 WeakPolarHBondContact O-CG 3.33Å; K123-E127 PolarHBondContact O-N 3.14Å; E127-L129 VanDerWaalsContact C-N 3.3Å; E127-L129 PolarHBondContact O-N 3.14Å; E127-K130 WeakPolarHBondContact O-CB 3.45Å; E127-K130 PolarHBondContact O-N 2.94Å; E127-K130 VanDerWaalsContact O-N 3.07Å; E127-E131 PolarHBondContact O-N 3.22Å
128K97.1Very high97.6Very high128 Ų12888.5 Ų88.556%0.55743%0.43SS*.Hα-helixtrans-59.5-37176-72.9169.2-172.6168.30113.2D124 T125D124-K128 WeakPolarHBondContact O-CB 3.19Å; D124-K128 WeakPolarHBondContact O-CD 3.47Å; D124-K128 VanDerWaalsContact O-CG 3.24Å; D124-K128 WeakPolarHBondContact O-CG 3.13Å; D124-K128 PolarHBondContact O-N 3.32Å; T125-K128 PolarHBondContact O-N 3.23Å
129L97.1Very high97.6Very high15 Ų1591.1 Ų91.18%0.07944%0.437CS..Hα-helixtrans-70.4-40.4175-75.7171.9000111.3V85 T125 I126 E127 E131 K132 K133 L134 P136V85-L129 HydrophobicContact CB-CD1 4.15Å; V85-L129 HydrophobicContact CG1-CD1 4.49Å; T125-L129 HydrophobicContact CG2-CD1 4.3Å; T125-L129 WeakPolarHBondContact O-CG 3.45Å; T125-L129 PolarHBondContact O-N 3.49Å; I126-L129 PolarHBondContact O-N 2.88Å; E127-L129 VanDerWaalsContact C-N 3.3Å; E127-L129 PolarHBondContact O-N 3.14Å; L129-E131 VanDerWaalsContact C-N 3.34Å; L129-E131 PolarHBondContact O-N 3.36Å; L129-K132 CarbonylContact O-C 3.44Å; L129-K132 WeakPolarHBondContact O-CA 3.32Å; L129-K132 WeakPolarHBondContact O-CB 3.33Å; L129-K132 PolarHBondContact O-N 2.87Å; L129-K133 PolarHBondContact O-N 2.79Å; L129-L134 CarbonylContact C-O 3.42Å; L129-L134 VanDerWaalsContact C-O 3.3Å; L129-L134 HydrophobicContact CB-CB 4.25Å; L129-L134 HydrophobicContact CD2-CB 3.98Å; L129-L134 HydrophobicContact CD2-CD1 4.34Å; L129-L134 PolarHBondContact O-N 2.83Å; L129-P136 HydrophobicContact CD1-CB 4.47Å; L129-P136 HydrophobicContact CD1-CG 3.79Å
130K97.3Very high97.7Very high160 Ų16093.2 Ų93.270%0.69645%0.453SS*.Hα-helixtrans-63.2-37.8179.3-171.2-178.9179.3-175.80112.4I126 E127 K132 K133I126-K130 WeakPolarHBondContact O-CB 3.42Å; I126-K130 PolarHBondContact O-N 2.97Å; E127-K130 WeakPolarHBondContact O-CB 3.45Å; E127-K130 PolarHBondContact O-N 2.94Å; E127-K130 VanDerWaalsContact O-N 3.07Å; K130-K132 PolarHBondContact O-N 3.24Å; K130-K133 WeakPolarHBondContact O-CA 3.48Å; K130-K133 PolarHBondContact O-N 2.63Å
131E97.4Very high97.7Very high160 Ų16095 Ų9575%0.74846%0.463SS*.Hα-helixtrans-54.9-34.1171.6-71.7174.8177.200112.2E127 L129 K133E127-E131 PolarHBondContact O-N 3.22Å; L129-E131 VanDerWaalsContact C-N 3.34Å; L129-E131 PolarHBondContact O-N 3.36Å; E131-K133 VanDerWaalsContact C-N 3.34Å
132K96.9Very high97.8Very high153 Ų15389 Ų8967%0.66543%0.431SS*.THydrogen-bonded Turntrans-90.87.6176.7-59.5-178.9-176.9-179.30113.5L129 K130 L134L129-K132 CarbonylContact O-C 3.44Å; L129-K132 WeakPolarHBondContact O-CA 3.32Å; L129-K132 WeakPolarHBondContact O-CB 3.33Å; L129-K132 PolarHBondContact O-N 2.87Å; K130-K132 PolarHBondContact O-N 3.24Å; K132-L134 HydrophobicContact CB-CD1 4.14Å; K132-L134 HydrophobicContact CB-CG 4.21Å; K132-L134 PolarHBondContact O-N 3.33Å
133K97.6Very high97.9Very high200 Ų20090.2 Ų90.287%0.8744%0.437SS*.THydrogen-bonded Turntrans5831.6-173.8-54.6177-179.6176.60113.4L129 K130 E131L129-K133 PolarHBondContact O-N 2.79Å; K130-K133 WeakPolarHBondContact O-CA 3.48Å; K130-K133 PolarHBondContact O-N 2.63Å; E131-K133 VanDerWaalsContact C-N 3.34Å
134L97.7Very high97.9Very high73 Ų7385.4 Ų85.438%0.38243%0.427SS..  trans-111163.3178.1-65177.1000110.5P87 L129 K132P87-L134 HydrophobicContact CB-CD2 4.41Å; P87-L134 HydrophobicContact CG-CB 4.23Å; P87-L134 HydrophobicContact CG-CD1 4.24Å; P87-L134 HydrophobicContact CG-CD2 4.4Å; L129-L134 CarbonylContact C-O 3.42Å; L129-L134 VanDerWaalsContact C-O 3.3Å; L129-L134 HydrophobicContact CB-CB 4.25Å; L129-L134 HydrophobicContact CD2-CB 3.98Å; L129-L134 HydrophobicContact CD2-CD1 4.34Å; L129-L134 PolarHBondContact O-N 2.83Å; K132-L134 HydrophobicContact CB-CD1 4.14Å; K132-L134 HydrophobicContact CB-CG 4.21Å; K132-L134 PolarHBondContact O-N 3.33Å
135T97.8Very high98Very high96 Ų9681 Ų8159%0.58940%0.403SS*.  trans-133154.5172.7530000109.7P87P87-T135 WeakPolarHBondContact CG-O 3.46Å
136P98.4Very high98.1Very high18 Ų1880.2 Ų80.212%0.11740%0.399CS..PPolyproline II helixtrans-55.9145.9169.5-23.633.2000111.5L84 V85 R120 I126 L129 T138L84-P136 CarbonylContact O-C 3.59Å; L84-P136 WeakPolarHBondContact O-CA 3.27Å; V85-P136 HydrophobicContact CG1-CB 4.39Å; R120-P136 HydrophobicContact CG-CB 4.13Å; I126-P136 HydrophobicContact CG1-CG 4.08Å; L129-P136 HydrophobicContact CD1-CB 4.47Å; L129-P136 HydrophobicContact CD1-CG 3.79Å; P136-T138 PolarHBondContact O-N 3.32Å
137I98.7Very high98.1Very high6 Ų685.9 Ų85.93%0.03142%0.421CS..PPolyproline II helixtrans-66.6127.5175.9-56.3-56.4000109.4F82 L84 P87 F90 R120 Q141F82-I137 HydrophobicContact CE2-CB 4.04Å; F82-I137 HydrophobicContact CE2-CG1 4.1Å; F82-I137 HydrophobicContact CE2-CG2 3.82Å; F82-I137 HydrophobicContact CZ-CG2 4.2Å; L84-I137 HydrophobicContact CD2-CB 4.15Å; L84-I137 HydrophobicContact CD2-CG2 4.41Å; L84-I137 PolarHBondContact O-N 2.96Å; P87-I137 HydrophobicContact CB-CD1 4.15Å; P87-I137 HydrophobicContact CG-CD1 4.28Å; F90-I137 HydrophobicContact CB-CD1 3.96Å; F90-I137 HydrophobicContact CB-CG1 3.9Å; F90-I137 HydrophobicContact CD1-CD1 3.73Å; F90-I137 HydrophobicContact CD1-CG1 4.33Å; F90-I137 HydrophobicContact CD2-CG1 4.49Å; F90-I137 HydrophobicContact CD2-CG2 4.08Å; F90-I137 HydrophobicContact CE1-CD1 4.4Å; F90-I137 HydrophobicContact CE2-CG2 4.09Å; F90-I137 HydrophobicContact CG-CD1 3.89Å; F90-I137 HydrophobicContact CG-CG1 4Å; F90-I137 HydrophobicContact CG-CG2 4.27Å; F90-I137 HydrophobicContact CZ-CG2 4.3Å; R120-I137 PolarHBondContact NE-O 3.21Å; R120-I137 VanDerWaalsContact NE-O 3.11Å; R120-I137 PolarHBondContact NH2-O 3.05Å; I137-Q141 HydrophobicContact CG2-CB 3.94Å
138T98.6Very high98.1Very high63 Ų6385.7 Ų85.739%0.38742%0.42SS..PPolyproline II helixtrans-85.5156.7178.365.50000111.5P136 Q141 G142P136-T138 PolarHBondContact O-N 3.32Å; T138-Q141 WeakPolarHBondContact O-CB 3.5Å; T138-Q141 PolarHBondContact O-N 3.41Å; T138-Q141 VanDerWaalsContact O-N 3.14Å; T138-Q141 WeakPolarHBondContact OG1-CG 3.17Å; T138-Q141 PolarHBondContact OG1-OE1 2.91Å; T138-G142 PolarHBondContact O-N 2.96Å; T138-G142 VanDerWaalsContact O-N 3.17Å
139Y98.5Very high98.1Very high107 Ų10779.7 Ų79.742%0.4239%0.394SS..Hα-helixtrans-56.1-42.7177.2-170-94.9000113.3Q141 G142 L143 Y154 E156Y139-Q141 VanDerWaalsContact C-N 3.34Å; Y139-Q141 PolarHBondContact O-N 3.38Å; Y139-G142 PolarHBondContact O-N 2.88Å; Y139-L143 HydrophobicContact CD1-CD1 3.7Å; Y139-L143 HydrophobicContact CD1-CG 3.99Å; Y139-L143 HydrophobicContact CE1-CD1 3.4Å; Y139-L143 HydrophobicContact CE1-CD2 4.08Å; Y139-L143 HydrophobicContact CE1-CG 3.65Å; Y139-L143 PolarHBondContact O-N 3.05Å; Y139-Y154 HydrophobicContact CD2-CD1 4.21Å; Y139-Y154 AromaticContact CD2-CE1 3.72Å; Y139-Y154 HydrophobicContact CD2-CE1 3.72Å; Y139-Y154 AromaticContact CE2-CD1 3.87Å; Y139-Y154 HydrophobicContact CE2-CD1 3.87Å; Y139-Y154 AromaticContact CE2-CE1 3.82Å; Y139-Y154 HydrophobicContact CE2-CE1 3.82Å; Y139-Y154 HydrophobicContact CG-CE1 4.27Å; Y139-E156 HydrophobicContact CD2-CG 4.3Å; Y139-E156 VanDerWaalsContact CD2-OE1 3.29Å; Y139-E156 WeakPolarHBondContact CD2-OE1 3.29Å
140P98.8Very high98.1Very high91 Ų9181.3 Ų81.359%0.59142%0.415SS*.Hα-helixtrans-61.6-35.7175.7-25.636.8000114.3L143 A144P140-L143 PolarHBondContact O-N 3.33Å; P140-A144 WeakPolarHBondContact O-CB 3.12Å; P140-A144 PolarHBondContact O-N 3.4Å
141Q98.7Very high98.2Very high76 Ų7674.5 Ų74.536%0.35539%0.389SS..Hα-helixtrans-64.2-46.1174.9-73.1168-62.800110.8F90 I137 T138 Y139 L143 A144 M145F90-Q141 HydrophobicContact CE1-CB 4.34Å; F90-Q141 HydrophobicContact CZ-CB 4.07Å; F90-Q141 WeakPolarHBondContact CZ-O 3.36Å; I137-Q141 HydrophobicContact CG2-CB 3.94Å; T138-Q141 WeakPolarHBondContact O-CB 3.5Å; T138-Q141 PolarHBondContact O-N 3.41Å; T138-Q141 VanDerWaalsContact O-N 3.14Å; T138-Q141 WeakPolarHBondContact OG1-CG 3.17Å; T138-Q141 PolarHBondContact OG1-OE1 2.91Å; Y139-Q141 VanDerWaalsContact C-N 3.34Å; Y139-Q141 PolarHBondContact O-N 3.38Å; Q141-L143 PolarHBondContact O-N 3.02Å; Q141-A144 WeakPolarHBondContact O-CB 3.47Å; Q141-A144 PolarHBondContact O-N 3.37Å; Q141-A144 VanDerWaalsContact O-N 3.17Å; Q141-M145 PolarHBondContact O-N 3.24Å
142G98.8Very high98.2Very high0 Ų069.8 Ų69.80%037%0.371CS..Hα-helixtrans-61.2-41.2176.600000113.4T138 Y139 A144 M145 A146 Y154T138-G142 PolarHBondContact O-N 2.96Å; T138-G142 VanDerWaalsContact O-N 3.17Å; Y139-G142 PolarHBondContact O-N 2.88Å; G142-A144 PolarHBondContact O-N 3.14Å; G142-M145 PolarHBondContact O-N 3.32Å; G142-A146 WeakPolarHBondContact O-CB 3.02Å; G142-A146 PolarHBondContact O-N 3.35Å; G142-Y154 VanDerWaalsContact CA-CZ 3.5Å
143L98.6Very high98.2Very high83 Ų8366.3 Ų66.344%0.43536%0.355SS..Hα-helixtrans-60.7-42.7172.3-78.9178.5000112.6Y139 P140 Q141 A146 K147 Y154Y139-L143 HydrophobicContact CD1-CD1 3.7Å; Y139-L143 HydrophobicContact CD1-CG 3.99Å; Y139-L143 HydrophobicContact CE1-CD1 3.4Å; Y139-L143 HydrophobicContact CE1-CD2 4.08Å; Y139-L143 HydrophobicContact CE1-CG 3.65Å; Y139-L143 PolarHBondContact O-N 3.05Å; P140-L143 PolarHBondContact O-N 3.33Å; Q141-L143 PolarHBondContact O-N 3.02Å; L143-A146 PolarHBondContact O-N 3.49Å; L143-K147 PolarHBondContact O-N 3.26Å; L143-Y154 HydrophobicContact CD2-CD1 4.06Å; L143-Y154 HydrophobicContact CG-CD1 4.04Å
144A98.8Very high98.3Very high59 Ų5957.1 Ų57.149%0.48832%0.315SS..Hα-helixtrans-62.2-46178.100000111.3P140 Q141 G142 K147 E148P140-A144 WeakPolarHBondContact O-CB 3.12Å; P140-A144 PolarHBondContact O-N 3.4Å; Q141-A144 WeakPolarHBondContact O-CB 3.47Å; Q141-A144 PolarHBondContact O-N 3.37Å; Q141-A144 VanDerWaalsContact O-N 3.17Å; G142-A144 PolarHBondContact O-N 3.14Å; A144-K147 PolarHBondContact O-N 3.19Å; A144-E148 WeakPolarHBondContact O-CB 3.41Å; A144-E148 PolarHBondContact O-N 2.97Å
145M98.8Very high98.3Very high5 Ų554.6 Ų54.63%0.02530%0.302CS..Hα-helixtrans-60.8-44.9175.4-178.366.468.800111.9F90 V93 R94 L112 Q141 G142 K147 E148 I149F90-M145 HydrophobicContact CD1-CE 4.22Å; F90-M145 HydrophobicContact CD2-CE 4.41Å; F90-M145 HydrophobicContact CE1-CE 3.79Å; F90-M145 HydrophobicContact CE2-CB 3.55Å; F90-M145 HydrophobicContact CE2-CE 4.01Å; F90-M145 HydrophobicContact CE2-CG 3.83Å; F90-M145 HydrophobicContact CZ-CB 3.57Å; F90-M145 HydrophobicContact CZ-CE 3.69Å; F90-M145 HydrophobicContact CZ-CG 4.14Å; V93-M145 HydrophobicContact CB-CG 4.34Å; V93-M145 HydrophobicContact CB-SD 4.18Å; V93-M145 HydrophobicContact CG1-CG 3.86Å; V93-M145 HydrophobicContact CG1-SD 3.93Å; R94-M145 HydrophobicContact CB-CE 4.37Å; R94-M145 HydrophobicContact CB-SD 3.94Å; R94-M145 HydrophobicContact CG-CE 4.11Å; R94-M145 HydrophobicContact CG-SD 4.35Å; L112-M145 HydrophobicContact CD2-CB 3.87Å; L112-M145 HydrophobicContact CD2-CG 3.68Å; Q141-M145 PolarHBondContact O-N 3.24Å; G142-M145 PolarHBondContact O-N 3.32Å; M145-K147 VanDerWaalsContact C-N 3.27Å; M145-K147 PolarHBondContact O-N 2.99Å; M145-E148 WeakPolarHBondContact O-CB 3.23Å; M145-E148 PolarHBondContact O-N 3.2Å; M145-E148 VanDerWaalsContact O-N 3.12Å; M145-I149 WeakPolarHBondContact O-CG1 3.34Å; M145-I149 PolarHBondContact O-N 3.21Å; M145-I149 HydrophobicContact SD-CG2 4.06Å
146A98.6Very high98.4Very high7 Ų751.3 Ų51.36%0.05828%0.28CS..Hα-helixtrans-59.8-39.5177.500000112.2L112 G142 L143 G150 A151 Y154L112-A146 HydrophobicContact CB-CB 4.26Å; L112-A146 HydrophobicContact CD2-CB 3.89Å; G142-A146 WeakPolarHBondContact O-CB 3.02Å; G142-A146 PolarHBondContact O-N 3.35Å; L143-A146 PolarHBondContact O-N 3.49Å; A146-G150 PolarHBondContact O-N 3Å; A146-G150 VanDerWaalsContact O-N 3.11Å; A146-A151 HydrophobicContact CB-CB 4.08Å; A146-A151 PolarHBondContact O-N 2.88Å; A146-Y154 HydrophobicContact CB-CG 4.47Å
147K98.4Very high98.4Very high185 Ų18550.4 Ų50.480%0.80427%0.274SS*.Hα-helixtrans-66.7-42.2174.1-176.3179.8177-176.40111.9L143 A144 M145 G150L143-K147 PolarHBondContact O-N 3.26Å; A144-K147 PolarHBondContact O-N 3.19Å; M145-K147 VanDerWaalsContact C-N 3.27Å; M145-K147 PolarHBondContact O-N 2.99Å; K147-G150 PolarHBondContact O-N 2.92Å
148E97.9Very high98.4Very high114 Ų11450.1 Ų50.153%0.53327%0.273SS..Hα-helixtrans-59.1-48.3178.4-176.3179.8157.600111.6A144 M145 G150A144-E148 WeakPolarHBondContact O-CB 3.41Å; A144-E148 PolarHBondContact O-N 2.97Å; M145-E148 WeakPolarHBondContact O-CB 3.23Å; M145-E148 PolarHBondContact O-N 3.2Å; M145-E148 VanDerWaalsContact O-N 3.12Å; E148-G150 VanDerWaalsContact C-N 3.3Å; E148-G150 PolarHBondContact O-N 3.07Å
149I97.9Very high98.3Very high2 Ų247.7 Ų47.71%0.0126%0.259CS..THydrogen-bonded Turntrans-83.7-3.9-178.674.2179.2000113.5V93 Y98 I110 L112 M145 A151V93-I149 HydrophobicContact CG1-CD1 3.87Å; V93-I149 HydrophobicContact CG1-CG2 4.35Å; Y98-I149 HydrophobicContact CD1-CB 4.34Å; Y98-I149 HydrophobicContact CD1-CG2 4.17Å; Y98-I149 HydrophobicContact CD2-CB 3.58Å; Y98-I149 HydrophobicContact CD2-CG1 4.46Å; Y98-I149 HydrophobicContact CD2-CG2 4.16Å; Y98-I149 HydrophobicContact CE2-CB 3.82Å; Y98-I149 WeakPolarHBondContact CE2-O 3.19Å; Y98-I149 HydrophobicContact CG-CB 3.82Å; Y98-I149 HydrophobicContact CG-CG2 3.85Å; I110-I149 HydrophobicContact CG2-CD1 4.48Å; L112-I149 HydrophobicContact CB-CD1 4.39Å; L112-I149 HydrophobicContact CD1-CD1 4.19Å; L112-I149 HydrophobicContact CD2-CD1 4.47Å; M145-I149 WeakPolarHBondContact O-CG1 3.34Å; M145-I149 PolarHBondContact O-N 3.21Å; M145-I149 HydrophobicContact SD-CG2 4.06Å; I149-A151 VanDerWaalsContact C-N 3.34Å; I149-A151 HydrophobicContact CD1-CB 4.14Å; I149-A151 HydrophobicContact CG1-CB 3.93Å; I149-A151 PolarHBondContact O-N 3.05Å
150G97.1Very high98.2Very high49 Ų4947 Ų4751%0.50526%0.262SS..THydrogen-bonded Turntrans63.338.1-175.700000113.2A146 K147 E148A146-G150 PolarHBondContact O-N 3Å; A146-G150 VanDerWaalsContact O-N 3.11Å; K147-G150 PolarHBondContact O-N 2.92Å; E148-G150 VanDerWaalsContact C-N 3.3Å; E148-G150 PolarHBondContact O-N 3.07Å
151A98.1Very high98.1Very high18 Ų1846.7 Ų46.715%0.14926%0.259CS..  trans-65.7147.4170.700000110.2I110 L112 A146 I149 K153I110-A151 HydrophobicContact CG2-CB 4.3Å; I110-A151 CarbonylContact O-C 3.52Å; I110-A151 WeakPolarHBondContact O-CA 3.33Å; I110-A151 WeakPolarHBondContact O-CB 3.3Å; L112-A151 HydrophobicContact CB-CB 4.16Å; A146-A151 HydrophobicContact CB-CB 4.08Å; A146-A151 PolarHBondContact O-N 2.88Å; I149-A151 VanDerWaalsContact C-N 3.34Å; I149-A151 HydrophobicContact CD1-CB 4.14Å; I149-A151 HydrophobicContact CG1-CB 3.93Å; I149-A151 PolarHBondContact O-N 3.05Å; A151-K153 VanDerWaalsContact C-N 3.3Å
152V97.5Very high97.9Very high61 Ų6147 Ų4737%0.3726%0.26SS..SBendtrans-66-38.2176.5177.50000110.2P109 I110 I111 A175 P180P109-V152 HydrophobicContact CB-CG2 3.75Å; I110-V152 PolarHBondContact O-N 3.21Å; I111-V152 HydrophobicContact CD1-CB 3.96Å; I111-V152 HydrophobicContact CD1-CG1 4.37Å; V152-A175 HydrophobicContact CB-CB 4.48Å; V152-A175 HydrophobicContact CG1-CB 4.07Å; V152-A175 HydrophobicContact CG2-CB 4.46Å; V152-P180 HydrophobicContact CG1-CG 4.45Å; V152-P180 HydrophobicContact CG2-CG 4.2Å
153K97.9Very high97.9Very high79 Ų7955 Ų5534%0.34329%0.29SS..EExtended strand (participates in β ladder)trans-151.9155178.9-148.8163.5-169.2172.50111.7I111 L112 A151 L155 E171I111-K153 HydrophobicContact CD1-CB 3.99Å; L112-K153 PolarHBondContact N-O 3.36Å; A151-K153 VanDerWaalsContact C-N 3.3Å; K153-L155 HydrophobicContact CD-CD1 4.45Å; K153-L155 HydrophobicContact CD-CD2 4.12Å; K153-L155 HydrophobicContact CD-CG 4.37Å; K153-L155 HydrophobicContact CG-CD2 4.27Å; K153-L155 HydrophobicContact CG-CG 4.25Å; K153-E171 HydrophobicContact CD-CB 4.22Å; K153-E171 HydrophobicContact CD-CG 3.88Å; K153-E171 WeakPolarHBondContact CD-OE2 3.38Å; K153-E171 WeakPolarHBondContact CE-OE2 3.34Å; K153-E171 IonicContact NZ-OE1 2.87Å; K153-E171 PolarHBondContact NZ-OE1 2.87Å; K153-E171 IonicContact NZ-OE2 3.25Å; K153-E171 PolarHBondContact NZ-OE2 2.91Å
154Y98.8Very high97.8Very high7 Ų752.2 Ų52.23%0.02728%0.282CS..EExtended strand (participates in β ladder)trans-108.8130.4164.3177.6-127.8000109.4F82 L112 Y139 G142 L143 A146 E156F82-Y154 AromaticContact CE1-CE2 3.81Å; F82-Y154 HydrophobicContact CE1-CE2 3.81Å; F82-Y154 AromaticContact CZ-CE2 3.9Å; F82-Y154 HydrophobicContact CZ-CE2 3.9Å; L112-Y154 HydrophobicContact CB-CD2 4.09Å; L112-Y154 HydrophobicContact CD2-CD2 3.88Å; L112-Y154 HydrophobicContact CD2-CE2 4.31Å; L112-Y154 HydrophobicContact CG-CD2 3.86Å; L112-Y154 HydrophobicContact CG-CE2 4.28Å; L112-Y154 WeakPolarHBondContact O-CA 3.22Å; L112-Y154 WeakPolarHBondContact O-CD2 3.39Å; Y139-Y154 HydrophobicContact CD2-CD1 4.21Å; Y139-Y154 AromaticContact CD2-CE1 3.72Å; Y139-Y154 HydrophobicContact CD2-CE1 3.72Å; Y139-Y154 AromaticContact CE2-CD1 3.87Å; Y139-Y154 HydrophobicContact CE2-CD1 3.87Å; Y139-Y154 AromaticContact CE2-CE1 3.82Å; Y139-Y154 HydrophobicContact CE2-CE1 3.82Å; Y139-Y154 HydrophobicContact CG-CE1 4.27Å; G142-Y154 VanDerWaalsContact CA-CZ 3.5Å; L143-Y154 HydrophobicContact CD2-CD1 4.06Å; L143-Y154 HydrophobicContact CG-CD1 4.04Å; A146-Y154 HydrophobicContact CB-CG 4.47Å; Y154-E156 HydrophobicContact CE1-CG 3.92Å; Y154-E156 WeakPolarHBondContact CE1-OE1 3.49Å; Y154-E156 HydrophobicContact CE2-CG 4.22Å; Y154-E156 VanDerWaalsContact OH-CG 3.3Å; Y154-E156 WeakPolarHBondContact OH-CG 3.36Å; Y154-E156 PolarHBondContact OH-OE1 3.16Å
155L98.8Very high97.7Very high20 Ų2049.7 Ų49.711%0.10526%0.26CS..EExtended strand (participates in β ladder)trans-136.9153.3178.4-63.1169.5000109.8I111 L112 V113 G114 K153 T167 V168 E171I111-L155 HydrophobicContact CG2-CD1 4.06Å; L112-L155 PolarHBondContact O-N 2.92Å; V113-L155 CarbonylContact C-O 3.51Å; V113-L155 VanDerWaalsContact CA-O 3.31Å; V113-L155 WeakPolarHBondContact CA-O 3.48Å; G114-L155 PolarHBondContact N-O 3.36Å; K153-L155 HydrophobicContact CD-CD1 4.45Å; K153-L155 HydrophobicContact CD-CD2 4.12Å; K153-L155 HydrophobicContact CD-CG 4.37Å; K153-L155 HydrophobicContact CG-CD2 4.27Å; K153-L155 HydrophobicContact CG-CG 4.25Å; L155-T167 HydrophobicContact CD2-CG2 4.1Å; L155-V168 HydrophobicContact CB-CG2 3.96Å; L155-V168 HydrophobicContact CD1-CG2 4.27Å; L155-E171 HydrophobicContact CD1-CB 3.67Å; L155-E171 HydrophobicContact CD1-CG 3.82Å
156E98.8Very high97.6Very high27 Ų2755.2 Ų55.213%0.12628%0.284CS..EExtended strand (participates in β ladder)trans-125.1144.5175.5-65.1175.317500109.9L84 G114 L117 R120 Y139 Y154L84-E156 HydrophobicContact CD1-CB 4.3Å; L84-E156 HydrophobicContact CD1-CG 4.18Å; L84-E156 HydrophobicContact CD2-CG 4.38Å; G114-E156 CarbonylContact O-C 3.3Å; G114-E156 WeakPolarHBondContact O-CA 3.06Å; L117-E156 HydrophobicContact CD1-CB 4.38Å; L117-E156 WeakPolarHBondContact CD1-OE2 3.45Å; L117-E156 HydrophobicContact CD2-CB 4.26Å; R120-E156 IonicContact CZ-OE1 2.7Å; R120-E156 IonicContact CZ-OE2 2.76Å; R120-E156 IonicContact NH1-OE1 3.43Å; R120-E156 PolarHBondContact NH1-OE1 3.37Å; R120-E156 IonicContact NH1-OE2 2.68Å; R120-E156 PolarHBondContact NH1-OE2 2.96Å; R120-E156 IonicContact NH2-OE1 3.03Å; R120-E156 PolarHBondContact NH2-OE1 2.65Å; R120-E156 IonicContact NH2-OE2 3.82Å; R120-E156 PolarHBondContact NH2-OE2 3.26Å; Y139-E156 HydrophobicContact CD2-CG 4.3Å; Y139-E156 VanDerWaalsContact CD2-OE1 3.29Å; Y139-E156 WeakPolarHBondContact CD2-OE1 3.29Å; Y154-E156 HydrophobicContact CE1-CG 3.92Å; Y154-E156 WeakPolarHBondContact CE1-OE1 3.49Å; Y154-E156 HydrophobicContact CE2-CG 4.22Å; Y154-E156 VanDerWaalsContact OH-CG 3.3Å; Y154-E156 WeakPolarHBondContact OH-CG 3.36Å; Y154-E156 PolarHBondContact OH-OE1 3.16Å
157C98.6Very high97.5Very high0 Ų058 Ų580%030%0.3CS..  trans-151.3162.2-179.3630000112.8L19 G114 T115 K116 L117 R163 V168L19-C157 WeakPolarHBondContact CD1-SG 3.26Å; G114-C157 PolarHBondContact O-N 2.9Å; T115-C157 CarbonylContact C-O 3.57Å; T115-C157 WeakPolarHBondContact CA-O 3.42Å; K116-C157 PolarHBondContact N-O 3.16Å; K116-C157 VanDerWaalsContact N-O 3.11Å; L117-C157 WeakPolarHBondContact CB-O 3.13Å; L117-C157 PolarHBondContact N-O 2.89Å; L117-C157 VanDerWaalsContact N-O 3.08Å; C157-R163 CarbonylContact C-O 3.54Å; C157-R163 WeakPolarHBondContact CA-O 3.36Å; C157-R163 VanDerWaalsContact CB-O 3.31Å; C157-R163 WeakPolarHBondContact CB-O 3.23Å; C157-V168 HydrophobicContact CB-CG2 4.09Å
158S98.4Very high97.5Very high0 Ų049.1 Ų49.10%026%0.262CS..  trans-122.3119.7168.4168.20000107.8D118 L160 T161 Q162 R163D118-S158 VanDerWaalsContact CG-OG 3.23Å; D118-S158 WeakPolarHBondContact OD1-CB 3.31Å; D118-S158 PolarHBondContact OD1-OG 2.99Å; S158-L160 VanDerWaalsContact C-N 3.27Å; S158-L160 PolarHBondContact OG-N 2.97Å; S158-T161 WeakPolarHBondContact CB-OG1 3.22Å; S158-T161 PolarHBondContact OG-N 2.66Å; S158-T161 PolarHBondContact OG-OG1 3.47Å; S158-Q162 CarbonylContact O-C 3.59Å; S158-Q162 WeakPolarHBondContact O-CA 3.3Å; S158-Q162 PolarHBondContact O-N 2.75Å; S158-R163 PolarHBondContact N-O 3.1Å; S158-R163 PolarHBondContact O-N 3.22Å
159A97.1Very high97.5Very high12 Ų1243.7 Ų43.710%0.09924%0.236CC..THydrogen-bonded Turntrans-68.8-31.6171.500000111C18 S22 F28C18-A159 HydrophobicContact CB-CB 3.96Å; S22-A159 PolarHBondContact OG-O 3.48Å; F28-A159 HydrophobicContact CD2-CB 4.03Å; F28-A159 HydrophobicContact CE2-CB 3.93Å
160L95.6Very high97.5Very high93 Ų9344.4 Ų44.449%0.48724%0.24SC..THydrogen-bonded Turntrans-65.9-48.5-179.7179.562.2000111.9F28 S158F28-L160 HydrophobicContact CB-CD1 4.3Å; F28-L160 HydrophobicContact CD1-CD1 3.89Å; F28-L160 VanDerWaalsContact CD2-CA 3.45Å; F28-L160 HydrophobicContact CD2-CB 4.1Å; F28-L160 HydrophobicContact CD2-CD1 4.27Å; F28-L160 HydrophobicContact CE1-CD1 4.26Å; F28-L160 HydrophobicContact CE2-CB 4.11Å; F28-L160 HydrophobicContact CG-CD1 3.88Å; S158-L160 VanDerWaalsContact C-N 3.27Å; S158-L160 PolarHBondContact OG-N 2.97Å
161T96.2Very high97.5Very high84 Ų8443.6 Ų43.652%0.51522%0.223SC..THydrogen-bonded Turntrans-94.9-2.4-178.664.80000113.1D118 S158 R163D118-T161 HydrophobicContact CB-CG2 4.07Å; S158-T161 WeakPolarHBondContact CB-OG1 3.22Å; S158-T161 PolarHBondContact OG-N 2.66Å; S158-T161 PolarHBondContact OG-OG1 3.47Å; T161-R163 PolarHBondContact O-N 3.03Å; T161-R163 WeakPolarHBondContact OG1-CB 3.42Å
162Q95.8Very high97.5Very high82 Ų8242.8 Ų42.838%0.38322%0.216SC..  trans59.84.5-173.4-55.5175.215.600114.9N26 S158 G164 L165N26-Q162 VanDerWaalsContact C-NE2 3.34Å; N26-Q162 PolarHBondContact O-NE2 3.09Å; S158-Q162 CarbonylContact O-C 3.59Å; S158-Q162 WeakPolarHBondContact O-CA 3.3Å; S158-Q162 PolarHBondContact O-N 2.75Å; Q162-G164 PolarHBondContact O-N 3.46Å; Q162-L165 WeakPolarHBondContact O-CB 3.46Å; Q162-L165 PolarHBondContact O-N 2.78Å
163R98Very high97.5Very high167 Ų16739.9 Ų39.963%0.6320%0.199SC*.THydrogen-bonded Turntrans-60.4126.1178.2-175.6178.4174.5-168.1-1.3110.1L117 C157 S158 T161 L165L117-R163 HydrophobicContact CD2-CG 4.35Å; C157-R163 CarbonylContact C-O 3.54Å; C157-R163 WeakPolarHBondContact CA-O 3.36Å; C157-R163 VanDerWaalsContact CB-O 3.31Å; C157-R163 WeakPolarHBondContact CB-O 3.23Å; S158-R163 PolarHBondContact N-O 3.1Å; S158-R163 PolarHBondContact O-N 3.22Å; T161-R163 PolarHBondContact O-N 3.03Å; T161-R163 WeakPolarHBondContact OG1-CB 3.42Å; R163-L165 PolarHBondContact O-N 3.42Å
164G97.6Very high97.5Very high25 Ų2539.4 Ų39.426%0.25820%0.195SC..THydrogen-bonded Turntrans75.8-5.317700000115.2Q162 T167 V168Q162-G164 PolarHBondContact O-N 3.46Å; G164-T167 WeakPolarHBondContact O-CB 3.47Å; G164-T167 PolarHBondContact O-N 3.31Å; G164-V168 PolarHBondContact O-N 2.83Å; G164-V168 VanDerWaalsContact O-N 3.14Å
165L95.9Very high97.3Very high7 Ų739.3 Ų39.34%0.03720%0.196CC..Hα-helixtrans-62.5-51.5-172.2-169.662.4000112.3L19 S22 Y23 Q162 R163 T167 V168 F169L19-L165 HydrophobicContact CD1-CD1 3.23Å; L19-L165 HydrophobicContact CG-CD1 3.79Å; S22-L165 VanDerWaalsContact OG-CD2 3.29Å; S22-L165 WeakPolarHBondContact OG-CD2 3.33Å; Y23-L165 HydrophobicContact CD2-CG 4.36Å; Q162-L165 WeakPolarHBondContact O-CB 3.46Å; Q162-L165 PolarHBondContact O-N 2.78Å; R163-L165 PolarHBondContact O-N 3.42Å; L165-T167 VanDerWaalsContact C-N 3.27Å; L165-T167 PolarHBondContact O-N 2.91Å; L165-V168 WeakPolarHBondContact O-CB 3.46Å; L165-V168 PolarHBondContact O-N 2.89Å; L165-F169 HydrophobicContact CD1-CE2 3.84Å; L165-F169 HydrophobicContact CG-CE2 4.25Å; L165-F169 VanDerWaalsContact O-CD2 3.27Å; L165-F169 WeakPolarHBondContact O-CD2 3.48Å
166K95.9Very high97.2Very high121 Ų12139.8 Ų39.853%0.52620%0.199SC..Hα-helixtrans-56.9-42.3176.2-171.2-172.9-172.8-51.50111.9V168 F169 D170K166-V168 VanDerWaalsContact C-N 3.3Å; K166-V168 PolarHBondContact O-N 3.3Å; K166-F169 PolarHBondContact O-N 3.03Å; K166-D170 IonicContact NZ-OD1 2.83Å; K166-D170 PolarHBondContact NZ-OD1 3.18Å; K166-D170 IonicContact NZ-OD2 2.83Å; K166-D170 PolarHBondContact NZ-OD2 2.96Å; K166-D170 WeakPolarHBondContact O-CB 3.38Å; K166-D170 PolarHBondContact O-N 3.12Å
167T97.9Very high96.9Very high64 Ų6439.9 Ų39.939%0.39320%0.2SC..Hα-helixtrans-61.8-37.6-179.2-49.90000112L155 G164 L165 F169 E171L155-T167 HydrophobicContact CD2-CG2 4.1Å; G164-T167 WeakPolarHBondContact O-CB 3.47Å; G164-T167 PolarHBondContact O-N 3.31Å; L165-T167 VanDerWaalsContact C-N 3.27Å; L165-T167 PolarHBondContact O-N 2.91Å; T167-F169 PolarHBondContact O-N 3.08Å; T167-E171 HydrophobicContact CG2-CG 4.15Å; T167-E171 VanDerWaalsContact O-CB 3.31Å; T167-E171 WeakPolarHBondContact O-CB 3.19Å; T167-E171 WeakPolarHBondContact O-CG 3.36Å; T167-E171 PolarHBondContact O-N 2.84Å
168V98.5Very high96.5Very high0 Ų043.8 Ų43.80%023%0.227CC..Hα-helixtrans-57.1-50.3175.9170.60000111.3L79 V113 L155 C157 G164 L165 K166 A172L79-V168 HydrophobicContact CD1-CG1 3.8Å; L79-V168 HydrophobicContact CD2-CG1 4.18Å; V113-V168 HydrophobicContact CG1-CG1 4.36Å; V113-V168 HydrophobicContact CG1-CG2 4.07Å; V113-V168 HydrophobicContact CG2-CG1 3.86Å; L155-V168 HydrophobicContact CB-CG2 3.96Å; L155-V168 HydrophobicContact CD1-CG2 4.27Å; C157-V168 HydrophobicContact CB-CG2 4.09Å; G164-V168 PolarHBondContact O-N 2.83Å; G164-V168 VanDerWaalsContact O-N 3.14Å; L165-V168 WeakPolarHBondContact O-CB 3.46Å; L165-V168 PolarHBondContact O-N 2.89Å; K166-V168 VanDerWaalsContact C-N 3.3Å; K166-V168 PolarHBondContact O-N 3.3Å; V168-A172 WeakPolarHBondContact O-CB 3.36Å; V168-A172 PolarHBondContact O-N 3.27Å
169F97.8Very high95.5Very high0 Ų048.2 Ų48.20%026%0.255CS..Hα-helixtrans-77.4-36-176.6-63.6-75.9000113.1L19 L20 Y23 L53 L55 L79 L165 K166 T167 E171 A172 I173L19-F169 HydrophobicContact CD2-CZ 3.97Å; L19-F169 HydrophobicContact CG-CE2 4.18Å; L19-F169 HydrophobicContact CG-CZ 3.96Å; L20-F169 HydrophobicContact CD2-CE1 3.91Å; L20-F169 HydrophobicContact CD2-CZ 3.87Å; Y23-F169 VanDerWaalsContact CB-CE2 3.44Å; Y23-F169 HydrophobicContact CD1-CD1 4.33Å; Y23-F169 AromaticContact CD1-CD2 3.79Å; Y23-F169 HydrophobicContact CD1-CD2 3.79Å; Y23-F169 HydrophobicContact CD1-CE1 4.41Å; Y23-F169 AromaticContact CD1-CE2 3.9Å; Y23-F169 HydrophobicContact CD1-CE2 3.9Å; Y23-F169 HydrophobicContact CD1-CG 4.01Å; Y23-F169 HydrophobicContact CD1-CZ 4.2Å; Y23-F169 HydrophobicContact CD2-CB 4.37Å; Y23-F169 AromaticContact CD2-CD2 3.22Å; Y23-F169 HydrophobicContact CD2-CD2 3.22Å; Y23-F169 AromaticContact CD2-CE2 3.69Å; Y23-F169 HydrophobicContact CD2-CE2 3.69Å; Y23-F169 AromaticContact CD2-CG 3.98Å; Y23-F169 HydrophobicContact CD2-CG 3.98Å; Y23-F169 HydrophobicContact CE1-CB 4.12Å; Y23-F169 HydrophobicContact CE1-CD1 4.27Å; Y23-F169 HydrophobicContact CE1-CD2 4.04Å; Y23-F169 AromaticContact CE1-CG 3.87Å; Y23-F169 HydrophobicContact CE1-CG 3.87Å; Y23-F169 HydrophobicContact CE2-CB 3.73Å; Y23-F169 AromaticContact CE2-CD2 3.5Å; Y23-F169 HydrophobicContact CE2-CD2 3.5Å; Y23-F169 HydrophobicContact CE2-CE2 4.38Å; Y23-F169 AromaticContact CE2-CG 3.82Å; Y23-F169 HydrophobicContact CE2-CG 3.82Å; Y23-F169 AromaticContact CG-CD2 3.35Å; Y23-F169 HydrophobicContact CG-CD2 3.35Å; Y23-F169 AromaticContact CG-CE2 3.38Å; Y23-F169 HydrophobicContact CG-CE2 3.38Å; Y23-F169 HydrophobicContact CG-CG 4.04Å; Y23-F169 HydrophobicContact CG-CZ 4.07Å; Y23-F169 AromaticContact CZ-CD2 3.89Å; Y23-F169 AromaticContact CZ-CG 3.75Å; L53-F169 HydrophobicContact CD2-CB 4.16Å; L53-F169 HydrophobicContact CD2-CD1 3.87Å; L53-F169 HydrophobicContact CD2-CG 4.35Å; L55-F169 HydrophobicContact CD2-CD1 3.88Å; L55-F169 HydrophobicContact CD2-CE1 3.55Å; L79-F169 HydrophobicContact CD1-CD1 4.39Å; L79-F169 HydrophobicContact CD1-CE1 3.86Å; L79-F169 HydrophobicContact CD1-CZ 4.39Å; L165-F169 HydrophobicContact CD1-CE2 3.84Å; L165-F169 HydrophobicContact CG-CE2 4.25Å; L165-F169 VanDerWaalsContact O-CD2 3.27Å; L165-F169 WeakPolarHBondContact O-CD2 3.48Å; K166-F169 PolarHBondContact O-N 3.03Å; T167-F169 PolarHBondContact O-N 3.08Å; F169-E171 VanDerWaalsContact C-N 3.3Å; F169-E171 PolarHBondContact O-N 2.76Å; F169-A172 PolarHBondContact O-N 2.89Å; F169-I173 WeakPolarHBondContact O-CG1 3.26Å; F169-I173 PolarHBondContact O-N 3.29Å
170D97.4Very high94.3Very high17 Ų1750.7 Ų50.79%0.09127%0.271CS..Hα-helixtrans-57.8-44.6172.4-773.2000110.8K166 I173 R174K166-D170 IonicContact NZ-OD1 2.83Å; K166-D170 PolarHBondContact NZ-OD1 3.18Å; K166-D170 IonicContact NZ-OD2 2.83Å; K166-D170 PolarHBondContact NZ-OD2 2.96Å; K166-D170 WeakPolarHBondContact O-CB 3.38Å; K166-D170 PolarHBondContact O-N 3.12Å; D170-I173 PolarHBondContact O-N 3.31Å; D170-R174 WeakPolarHBondContact O-CG 3.35Å; D170-R174 PolarHBondContact O-N 3.1Å
171E98Very high92.9Very high32 Ų3252.2 Ų52.215%0.1529%0.286CS..Hα-helixtrans-73.1-33-179.8-68.2-66.8150.400112.9K153 L155 T167 F169 I173 R174 A175K153-E171 HydrophobicContact CD-CB 4.22Å; K153-E171 HydrophobicContact CD-CG 3.88Å; K153-E171 WeakPolarHBondContact CD-OE2 3.38Å; K153-E171 WeakPolarHBondContact CE-OE2 3.34Å; K153-E171 IonicContact NZ-OE1 2.87Å; K153-E171 PolarHBondContact NZ-OE1 2.87Å; K153-E171 IonicContact NZ-OE2 3.25Å; K153-E171 PolarHBondContact NZ-OE2 2.91Å; L155-E171 HydrophobicContact CD1-CB 3.67Å; L155-E171 HydrophobicContact CD1-CG 3.82Å; T167-E171 HydrophobicContact CG2-CG 4.15Å; T167-E171 VanDerWaalsContact O-CB 3.31Å; T167-E171 WeakPolarHBondContact O-CB 3.19Å; T167-E171 WeakPolarHBondContact O-CG 3.36Å; T167-E171 PolarHBondContact O-N 2.84Å; F169-E171 VanDerWaalsContact C-N 3.3Å; F169-E171 PolarHBondContact O-N 2.76Å; E171-I173 VanDerWaalsContact C-N 3.35Å; E171-R174 PolarHBondContact O-N 2.81Å; E171-R174 IonicContact OE1-CZ 3.9Å; E171-R174 IonicContact OE1-NH1 3.24Å; E171-R174 PolarHBondContact OE1-NH1 3.06Å; E171-A175 WeakPolarHBondContact O-CB 3.3Å; E171-A175 PolarHBondContact O-N 2.89Å
172A97.8Very high91.3Very high0 Ų054.5 Ų54.50%030%0.3CS..Hα-helixtrans-62.1-44.217100000111.2V77 L79 I111 V168 F169 A175V77-A172 HydrophobicContact CG1-CB 4.1Å; V77-A172 HydrophobicContact CG2-CB 4.13Å; L79-A172 HydrophobicContact CD2-CB 3.99Å; I111-A172 HydrophobicContact CG1-CB 4.25Å; V168-A172 WeakPolarHBondContact O-CB 3.36Å; V168-A172 PolarHBondContact O-N 3.27Å; F169-A172 PolarHBondContact O-N 2.89Å; A172-A175 PolarHBondContact O-N 2.9Å
173I97.3Very high89.5Confident0 Ų060.4 Ų60.40%032%0.324CS..Hα-helixtrans-63.4-47.1174.6-70.9166.1000110.7I4 V44 V46 V51 L53 F169 D170 E171 A175 V176 L177I4-I173 HydrophobicContact CD1-CB 4.4Å; I4-I173 HydrophobicContact CD1-CG1 4.34Å; I4-I173 HydrophobicContact CD1-CG2 3.92Å; V44-I173 HydrophobicContact CG2-CD1 3.53Å; V46-I173 HydrophobicContact CB-CG2 3.82Å; V46-I173 HydrophobicContact CG1-CB 4.42Å; V46-I173 HydrophobicContact CG1-CG2 3.93Å; V46-I173 HydrophobicContact CG2-CB 4.2Å; V46-I173 HydrophobicContact CG2-CD1 3.6Å; V46-I173 HydrophobicContact CG2-CG2 3.92Å; V51-I173 HydrophobicContact CG1-CD1 4.19Å; V51-I173 HydrophobicContact CG1-CG1 4.33Å; V51-I173 HydrophobicContact CG1-CG2 4.44Å; V51-I173 HydrophobicContact CG2-CG2 4Å; L53-I173 HydrophobicContact CB-CD1 4.4Å; L53-I173 HydrophobicContact CD1-CD1 4.37Å; L53-I173 HydrophobicContact CD1-CG1 4.02Å; L53-I173 HydrophobicContact CD2-CD1 4.09Å; L53-I173 HydrophobicContact CD2-CG1 4.45Å; F169-I173 WeakPolarHBondContact O-CG1 3.26Å; F169-I173 PolarHBondContact O-N 3.29Å; D170-I173 PolarHBondContact O-N 3.31Å; E171-I173 VanDerWaalsContact C-N 3.35Å; I173-A175 VanDerWaalsContact C-N 3.27Å; I173-A175 PolarHBondContact O-N 3.26Å; I173-V176 PolarHBondContact O-N 3.46Å; I173-L177 HydrophobicContact CG2-CD1 3.54Å; I173-L177 HydrophobicContact CG2-CG 3.96Å; I173-L177 WeakPolarHBondContact O-CG 3.05Å; I173-L177 PolarHBondContact O-N 3.18Å
174R96.6Very high87.2Confident69 Ų6961.6 Ų61.626%0.2633%0.334SS..Hα-helixtrans-58.6-37.7177.2-76.5-179.8-172.6115.813.8112.6V46 D47 D170 E171 V176 L177 C178V46-R174 HydrophobicContact CG1-CG 4.04Å; D47-R174 IonicContact OD1-CZ 2.99Å; D47-R174 IonicContact OD1-NE 2.93Å; D47-R174 PolarHBondContact OD1-NE 3.23Å; D47-R174 IonicContact OD1-NH2 2.63Å; D47-R174 PolarHBondContact OD1-NH2 3.44Å; D47-R174 WeakPolarHBondContact OD2-CD 3.39Å; D47-R174 WeakPolarHBondContact OD2-CG 3.31Å; D47-R174 IonicContact OD2-CZ 3.93Å; D47-R174 IonicContact OD2-NE 2.93Å; D47-R174 PolarHBondContact OD2-NE 2.65Å; D47-R174 IonicContact OD2-NH2 2.79Å; D170-R174 WeakPolarHBondContact O-CG 3.35Å; D170-R174 PolarHBondContact O-N 3.1Å; E171-R174 PolarHBondContact O-N 2.81Å; E171-R174 IonicContact OE1-CZ 3.9Å; E171-R174 IonicContact OE1-NH1 3.24Å; E171-R174 PolarHBondContact OE1-NH1 3.06Å; R174-V176 PolarHBondContact O-N 2.75Å; R174-L177 PolarHBondContact O-N 2.87Å; R174-C178 CarbonylContact O-C 3.6Å; R174-C178 WeakPolarHBondContact O-CA 3.47Å; R174-C178 WeakPolarHBondContact O-CB 3.26Å; R174-C178 PolarHBondContact O-N 2.88Å
175A96.1Very high85.2Confident6 Ų671.9 Ų71.95%0.0537%0.365CS..Hα-helixtrans-61.4-25.7177.900000113.1P109 I111 V152 E171 A172 I173P109-A175 HydrophobicContact CB-CB 4.17Å; P109-A175 HydrophobicContact CG-CB 4.49Å; I111-A175 HydrophobicContact CD1-CB 4.27Å; V152-A175 HydrophobicContact CB-CB 4.48Å; V152-A175 HydrophobicContact CG1-CB 4.07Å; V152-A175 HydrophobicContact CG2-CB 4.46Å; E171-A175 WeakPolarHBondContact O-CB 3.3Å; E171-A175 PolarHBondContact O-N 2.89Å; A172-A175 PolarHBondContact O-N 2.9Å; I173-A175 VanDerWaalsContact C-N 3.27Å; I173-A175 PolarHBondContact O-N 3.26Å
176V95.7Very high83Confident30 Ų3081 Ų8118%0.18241%0.405CS..Hα-helixtrans-89.1-44.7175.9-178.90000111.4I4 D76 V77 I173 R174I4-V176 HydrophobicContact CD1-CB 4.07Å; I4-V176 HydrophobicContact CD1-CG1 4.06Å; I4-V176 HydrophobicContact CG1-CG1 4.27Å; I4-V176 HydrophobicContact CG2-CG2 4.07Å; D76-V176 HydrophobicContact CB-CG1 4.05Å; D76-V176 HydrophobicContact CB-CG2 3.87Å; D76-V176 WeakPolarHBondContact O-CG2 3.36Å; V77-V176 HydrophobicContact CB-CG2 3.79Å; V77-V176 HydrophobicContact CG1-CG2 4.07Å; I173-V176 PolarHBondContact O-N 3.46Å; R174-V176 PolarHBondContact O-N 2.75Å
177L93.1Very high81.1Confident28 Ų2886.9 Ų86.915%0.14742%0.423CS..Hα-helixtrans-72.4-30-177.2-63.4-175.7000113.4I4 K49 V51 I173 R174I4-L177 HydrophobicContact CD1-CD2 4.06Å; I4-L177 HydrophobicContact CD1-CG 4.23Å; K49-L177 HydrophobicContact CB-CD1 4.46Å; K49-L177 HydrophobicContact CD-CD1 4.06Å; V51-L177 HydrophobicContact CG2-CD1 4.15Å; I173-L177 HydrophobicContact CG2-CD1 3.54Å; I173-L177 HydrophobicContact CG2-CG 3.96Å; I173-L177 WeakPolarHBondContact O-CG 3.05Å; I173-L177 PolarHBondContact O-N 3.18Å; R174-L177 PolarHBondContact O-N 2.87Å
178C88.8Confident78.8Confident82 Ų8293.7 Ų93.755%0.55445%0.448SS*.SBendtrans-132.267.7-176.1-63.10000109.1R174R174-C178 CarbonylContact O-C 3.6Å; R174-C178 WeakPolarHBondContact O-CA 3.47Å; R174-C178 WeakPolarHBondContact O-CB 3.26Å; R174-C178 PolarHBondContact O-N 2.88Å
179P79.3Confident76.6Confident93 Ų9399.3 Ų99.360%0.60449%0.485SS*.PPolyproline II helixtrans-61.9134.6-172.624.2-32.7000110.7
180P70.1Confident74.8Confident65 Ų65104.1 Ų104.142%0.42252%0.519SS..PPolyproline II helixtrans-61.8148.1176.724.2-31.6000110.4V152 V182V152-P180 HydrophobicContact CG1-CG 4.45Å; V152-P180 HydrophobicContact CG2-CG 4.2Å; P180-V182 PolarHBondContact O-N 3.5Å; P180-V182 VanDerWaalsContact O-N 3.15Å
181P67.7Low72.7Confident125 Ų125111.2 Ų111.281%0.81256%0.556SS**PPolyproline II helixtrans-57.6123.4-178.920.7-30.7000110.7K183P181-K183 PolarHBondContact O-N 3.37Å; P181-K183 VanDerWaalsContact O-N 3.12Å
182V61.3Low70.5Confident132 Ų132121 Ų12180%0.861%0.608SS**  trans-62.7115.3-178.5-174.80000109.2P180 K184P180-V182 PolarHBondContact O-N 3.5Å; P180-V182 VanDerWaalsContact O-N 3.15Å; V182-K184 PolarHBondContact O-N 2.89Å
183K58.1Low69.1Low205 Ų205127 Ų12789%0.89164%0.638SS**  trans-66.597.1170.2-72.3-175.1-178.6176.90108.5P181 R185P181-K183 PolarHBondContact O-N 3.37Å; P181-K183 VanDerWaalsContact O-N 3.12Å; K183-R185 PolarHBondContact O-N 2.91Å; K183-R185 VanDerWaalsContact O-N 3.13Å
184K50.3Low67.6Low193 Ų193133.7 Ų133.784%0.83967%0.672SS**  trans-56.2119.7173.4-70.9-173.3-179.8179.70108.9V182 K186V182-K184 PolarHBondContact O-N 2.89Å; K184-K186 PolarHBondContact O-N 2.9Å; K184-K186 VanDerWaalsContact O-N 3.07Å
185R55.9Low66Low240 Ų240137.3 Ų137.391%0.90670%0.695SS**  trans-62.3110.7173.4-157.5175.3173-173.7-3.1107.2K183 R187K183-R185 PolarHBondContact O-N 2.91Å; K183-R185 VanDerWaalsContact O-N 3.13Å; R185-R187 PolarHBondContact O-N 2.87Å
186K49.9Very low64.3Low200 Ų200145 Ų14587%0.8773%0.733SS**  trans-57.2112.5173.1-74.9-173177.5-176.80107.1K184 K188K184-K186 PolarHBondContact O-N 2.9Å; K184-K186 VanDerWaalsContact O-N 3.07Å; K186-K188 PolarHBondContact O-N 3.22Å; K186-K188 VanDerWaalsContact O-N 3.13Å
187R55.3Low62.3Low243 Ų243152.2 Ų152.292%0.91777%0.767SS**  trans-58.7117.8167.7-75.8-176.5168.9-175.1-3.6106R185 C189R185-R187 PolarHBondContact O-N 2.87Å; R187-C189 PolarHBondContact O-N 3.29Å
188K50.4Low60.2Low208 Ų208160.5 Ų160.590%0.90481%0.808SS**  trans-63.5105.9166.3-74.8-172.1-178.7-174.30105.5K186 S190K186-K188 PolarHBondContact O-N 3.22Å; K186-K188 VanDerWaalsContact O-N 3.13Å; K188-S190 PolarHBondContact O-N 3.49Å; K188-S190 VanDerWaalsContact O-N 3.11Å
189C51.7Low58.2Low117 Ų117166.1 Ų166.179%0.79183%0.827SS**  trans-65.8105167.7-123.10000106.1R187 L191R187-C189 PolarHBondContact O-N 3.29Å; C189-L191 PolarHBondContact O-N 2.92Å
190S59.5Low56.6Low102 Ų102171.7 Ų171.771%0.71384%0.844SS**  trans-77.899.2161.349.20000106.2K188 L192K188-S190 PolarHBondContact O-N 3.49Å; K188-S190 VanDerWaalsContact O-N 3.11Å; S190-L192 PolarHBondContact O-N 3.49Å
191L54.3Low55.5Low166 Ų166180.6 Ų180.687%0.86988%0.879SS**  trans-67.9110.2161.6-69.4164.9000105.6C189C189-L191 PolarHBondContact O-N 2.92Å
192L51.2Low54.3Low236 Ų236185.6 Ų185.6100%1.23689%0.885SS**  trans-84.20162-81.2162.6000108.2S190S190-L192 PolarHBondContact O-N 3.49Å

Retrieved 192 of 192 residues in 105.1 ms (Link to these results)

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