A0A087XDM1_POEFO Loading...

small monomeric GTPase

AlphaFold DB , UniProt , Accession A0A087XDM1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, 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
1M70.1Confident94.5Very high148 Ų14834.2 Ų34.273%0.72919%0.187SC*.  0116.80-171.1175.5-70.200106.2P50 N52M1-P50 HydrophobicContact CE-CB 4.39Å; M1-P50 HydrophobicContact CG-CB 4.37Å; M1-N52 HydrophobicContact CG-CB 4.13Å; M1-N52 HydrophobicContact SD-CB 3.98Å
2Q89.1Confident94.5Very high99 Ų9934 Ų3446%0.46320%0.199SC..EExtended strand (participates in β ladder)trans-75.9127-177.6-177.9168-5.600108.6I4 P50 V51 N52 L177Q2-I4 HydrophobicContact CG-CG1 4.31Å; Q2-P50 PolarHBondContact N-O 3.41Å; Q2-V51 WeakPolarHBondContact O-CA 3.44Å; Q2-N52 PolarHBondContact O-N 3.31Å; Q2-L177 VanDerWaalsContact CD-CD2 3.42Å; Q2-L177 HydrophobicContact CG-CD2 4.49Å
3A95.4Very high94.5Very high72 Ų7235.9 Ų35.960%0.59522%0.221SC*.EExtended strand (participates in β ladder)trans-83.5133.3172.100000108.8N52A3-N52 CarbonylContact C-O 3.55Å; A3-N52 WeakPolarHBondContact CA-O 3.38Å
4I97.6Very high94.7Very high3 Ų333.6 Ų33.62%0.01521%0.207CC..EExtended strand (participates in β ladder)trans-127.2125.9175.6-65.3-178.7000108Q2 V51 N52 L53 G54 D76 V77 I173 V176 L177Q2-I4 HydrophobicContact CG-CG1 4.31Å; I4-V51 HydrophobicContact CB-CG1 4.18Å; I4-V51 HydrophobicContact CD1-CG1 3.75Å; I4-V51 HydrophobicContact CD1-CG2 4.42Å; I4-V51 HydrophobicContact CG1-CG1 3.96Å; I4-N52 PolarHBondContact N-O 3.17Å; I4-L53 HydrophobicContact CB-CD1 4.16Å; I4-L53 HydrophobicContact CG2-CD1 3.9Å; I4-G54 PolarHBondContact O-N 3.09Å; I4-D76 WeakPolarHBondContact CA-OD2 3.42Å; I4-D76 HydrophobicContact CG2-CB 3.98Å; I4-V77 HydrophobicContact CG2-CG1 4.3Å; I4-I173 HydrophobicContact CD1-CB 4.39Å; I4-I173 HydrophobicContact CD1-CG1 4.33Å; I4-I173 HydrophobicContact CD1-CG2 3.93Å; I4-V176 HydrophobicContact CD1-CB 4.06Å; I4-V176 HydrophobicContact CD1-CG1 4.09Å; I4-V176 HydrophobicContact CG1-CG1 4.27Å; I4-V176 HydrophobicContact CG2-CG2 4.1Å; I4-L177 HydrophobicContact CD1-CD2 4.05Å; I4-L177 HydrophobicContact CD1-CG 4.22Å
5K97.8Very high94.8Very high29 Ų2932.3 Ų32.313%0.12620%0.203CC..EExtended strand (participates in β ladder)trans-94115.8173.2171.7163.9177.4-174.30110.7V7 W56 S71 P73 D76 V77K5-V7 HydrophobicContact CG-CG2 4.35Å; K5-W56 HydrophobicContact CB-CE3 4.32Å; K5-W56 HydrophobicContact CB-CH2 4.15Å; K5-W56 HydrophobicContact CB-CZ3 3.77Å; K5-W56 HydrophobicContact CD-CD2 4.11Å; K5-W56 HydrophobicContact CD-CE3 4.13Å; K5-W56 HydrophobicContact CD-CH2 3.94Å; K5-W56 HydrophobicContact CD-CZ2 3.9Å; K5-W56 HydrophobicContact CD-CZ3 4.01Å; K5-W56 HydrophobicContact CG-CD2 4Å; K5-W56 HydrophobicContact CG-CE3 3.58Å; K5-W56 HydrophobicContact CG-CH2 3.92Å; K5-W56 HydrophobicContact CG-CZ2 4.31Å; K5-W56 HydrophobicContact CG-CZ3 3.49Å; K5-W56 VanDerWaalsContact CG-CZ3 3.49Å; K5-S71 WeakPolarHBondContact CE-O 3.5Å; K5-S71 PolarHBondContact NZ-O 3.32Å; K5-P73 PolarHBondContact NZ-O 3.01Å; K5-D76 PolarHBondContact N-OD2 3Å; K5-D76 PolarHBondContact O-N 3.46Å; K5-V77 PolarHBondContact O-N 2.79Å
6C98.3Very high94.9Very high0 Ų030.9 Ų30.90%019%0.193CC..EExtended strand (participates in β ladder)trans-111.2120.9175.4178.40000110.1L53 G54 L55 W56 V77C6-L53 HydrophobicContact CB-CD1 3.78Å; C6-G54 PolarHBondContact N-O 3.07Å; C6-L55 HydrophobicContact CB-CD2 4.11Å; C6-L55 WeakPolarHBondContact O-CA 3.02Å; C6-W56 PolarHBondContact O-N 2.93Å; C6-V77 WeakPolarHBondContact CA-O 3.38Å; C6-V77 HydrophobicContact CB-CG1 3.83Å
7V98.5Very high94.9Very high0 Ų030.2 Ų30.20%019%0.189CC..EExtended strand (participates in β ladder)trans-106.2132.9176.8178.90000110K5 V9 W56 T58 Y72 T75 V77 F78 L79K5-V7 HydrophobicContact CG-CG2 4.35Å; V7-V9 HydrophobicContact CG1-CG1 4.11Å; V7-W56 HydrophobicContact CB-CB 4.29Å; V7-W56 HydrophobicContact CG1-CB 4.36Å; V7-W56 HydrophobicContact CG2-CB 3.81Å; V7-W56 HydrophobicContact CG2-CG 4.19Å; V7-T58 HydrophobicContact CG1-CG2 3.91Å; V7-Y72 HydrophobicContact CG1-CD1 4.05Å; V7-Y72 HydrophobicContact CG1-CE1 3.98Å; V7-T75 HydrophobicContact CB-CG2 3.94Å; V7-T75 HydrophobicContact CG2-CG2 3.62Å; V7-T75 WeakPolarHBondContact CG2-OG1 3.4Å; V7-V77 PolarHBondContact N-O 3.44Å; V7-V77 VanDerWaalsContact N-O 3.07Å; V7-F78 HydrophobicContact CB-CD1 3.81Å; V7-F78 HydrophobicContact CB-CE1 3.7Å; V7-F78 HydrophobicContact CB-CZ 4.49Å; V7-F78 HydrophobicContact CG1-CD1 4.04Å; V7-F78 HydrophobicContact CG1-CE1 3.75Å; V7-F78 HydrophobicContact CG2-CE1 4.37Å; V7-F78 WeakPolarHBondContact O-CA 3.27Å; V7-L79 PolarHBondContact O-N 3.2Å
8V98.3Very high94.9Very high0 Ų029.7 Ų29.70%019%0.186CC..EExtended strand (participates in β ladder)trans-108.2122.8-179.7-168.10000110K16 L20 W56 T58 L79 C81V8-K16 HydrophobicContact CG1-CB 3.83Å; V8-K16 HydrophobicContact CG1-CD 4.01Å; V8-K16 HydrophobicContact CG1-CG 3.9Å; V8-L20 HydrophobicContact CB-CD1 4.43Å; V8-L20 HydrophobicContact CG2-CD1 4.02Å; V8-L20 HydrophobicContact CG2-CD2 3.64Å; V8-L20 HydrophobicContact CG2-CG 4.14Å; V8-W56 PolarHBondContact N-O 3.35Å; V8-T58 PolarHBondContact O-OG1 2.95Å; V8-L79 HydrophobicContact CB-CB 4.47Å; V8-L79 HydrophobicContact CG1-CB 4.13Å; V8-L79 HydrophobicContact CG2-CB 4.2Å; V8-L79 HydrophobicContact CG2-CD1 3.98Å; V8-L79 HydrophobicContact CG2-CG 4.31Å; V8-C81 VanDerWaalsContact CG1-SG 3.54Å
9V98.5Very high95Very high0 Ų028.2 Ų28.20%018%0.177CC..EExtended strand (participates in β ladder)trans-126.6165.5178.8-56.60000110.7V7 K16 Y72 F78 L79 I80 C81 W97 V101V7-V9 HydrophobicContact CG1-CG1 4.11Å; V9-K16 VanDerWaalsContact C-CD 3.41Å; V9-Y72 HydrophobicContact CG1-CE1 3.91Å; V9-Y72 WeakPolarHBondContact CG1-OH 3.36Å; V9-F78 HydrophobicContact CG1-CD1 4.38Å; V9-L79 PolarHBondContact N-O 2.96Å; V9-I80 HydrophobicContact CG2-CB 4.35Å; V9-I80 HydrophobicContact CG2-CG1 3.74Å; V9-C81 PolarHBondContact O-N 3.35Å; V9-W97 HydrophobicContact CB-CE3 3.83Å; V9-W97 HydrophobicContact CB-CZ3 4.12Å; V9-W97 HydrophobicContact CG2-CE3 4.16Å; V9-V101 HydrophobicContact CG2-CG2 3.92Å
10G98.4Very high94.9Very high0 Ų026.8 Ų26.80%017%0.168CC..EExtended strand (participates in β ladder)trans140.6167.7-174.800000111.8K16 G60 C81 W97G10-K16 WeakPolarHBondContact O-CE 3.46Å; G10-K16 PolarHBondContact O-NZ 2.73Å; G10-G60 WeakPolarHBondContact O-CA 3.49Å; G10-C81 WeakPolarHBondContact CA-O 3.2Å; G10-W97 WeakPolarHBondContact O-CH2 3.28Å; G10-W97 WeakPolarHBondContact O-CZ2 3.4Å
11D97.9Very high94.8Very high25 Ų2527.4 Ų27.413%0.13417%0.169CC..  trans-54.4161-175.8-80.614.5000113.5V14 K16 S89 N92 W97D11-V14 HydrophobicContact CB-CG1 3.58Å; D11-V14 VanDerWaalsContact O-CG2 3.28Å; D11-V14 WeakPolarHBondContact O-CG2 3.31Å; D11-K16 PolarHBondContact O-NZ 2.89Å; D11-S89 VanDerWaalsContact OD2-CA 3.24Å; D11-S89 WeakPolarHBondContact OD2-CA 3.47Å; D11-S89 WeakPolarHBondContact OD2-CB 3.4Å; D11-N92 WeakPolarHBondContact OD1-CB 3.37Å; D11-N92 PolarHBondContact OD1-ND2 3.49Å; D11-N92 PolarHBondContact OD2-ND2 3.42Å; D11-W97 PolarHBondContact OD1-NE1 2.68Å
12G94.6Very high95.9Very high32 Ų3220.3 Ų20.333%0.3314%0.135SC..THydrogen-bonded Turntrans-53.5145.4165.700000111.5V14 G60G12-V14 PolarHBondContact O-N 3.25Å; G12-G60 PolarHBondContact N-O 2.87Å
13A94.3Very high96.2Very high59 Ų5917 Ų1749%0.48812%0.118SC..THydrogen-bonded Turntrans5810.4175.200000117.3G15 K116A13-G15 PolarHBondContact O-N 3.36Å; A13-K116 VanDerWaalsContact O-CE 3.22Å; A13-K116 WeakPolarHBondContact O-CE 3.47Å; A13-K116 PolarHBondContact O-NZ 2.77Å
14V97.4Very high96Very high3 Ų315.7 Ų15.72%0.01810%0.102CC..SBendtrans-72-13.8174.2-58.10000113.2D11 G12 K16 C81 T115 K116D11-V14 HydrophobicContact CB-CG1 3.58Å; D11-V14 VanDerWaalsContact O-CG2 3.28Å; D11-V14 WeakPolarHBondContact O-CG2 3.31Å; G12-V14 PolarHBondContact O-N 3.25Å; V14-K16 HydrophobicContact CG2-CD 4.34Å; V14-K16 HydrophobicContact CG2-CG 3.69Å; V14-C81 HydrophobicContact CG2-CB 4.04Å; V14-T115 WeakPolarHBondContact O-CB 3.32Å; V14-T115 PolarHBondContact O-OG1 2.55Å; V14-K116 WeakPolarHBondContact O-CE 3.18Å
15G96Very high95.6Very high14 Ų1419.3 Ų19.314%0.14413%0.125CC..SBendtrans101.525.1175.400000115.3A13 C18 L19A13-G15 PolarHBondContact O-N 3.36Å; G15-C18 PolarHBondContact O-N 2.96Å; G15-L19 WeakPolarHBondContact O-CB 3.44Å; G15-L19 PolarHBondContact O-N 2.85Å
16K96.9Very high95.1Very high10 Ų1023.6 Ų23.64%0.04315%0.149CC..Hα-helixtrans-56.6-52174.7-55.6-171.8-57.5-77.40111.9V8 V9 G10 D11 V14 C18 L19 L20 T58 C81V8-K16 HydrophobicContact CG1-CB 3.83Å; V8-K16 HydrophobicContact CG1-CD 4.01Å; V8-K16 HydrophobicContact CG1-CG 3.9Å; V9-K16 VanDerWaalsContact C-CD 3.41Å; G10-K16 WeakPolarHBondContact O-CE 3.46Å; G10-K16 PolarHBondContact O-NZ 2.73Å; D11-K16 PolarHBondContact O-NZ 2.89Å; V14-K16 HydrophobicContact CG2-CD 4.34Å; V14-K16 HydrophobicContact CG2-CG 3.69Å; K16-C18 PolarHBondContact O-N 3.14Å; K16-L19 VanDerWaalsContact O-CB 3.22Å; K16-L19 WeakPolarHBondContact O-CB 3.43Å; K16-L19 PolarHBondContact O-N 2.95Å; K16-L19 VanDerWaalsContact O-N 3.15Å; K16-L20 WeakPolarHBondContact O-CG 3.48Å; K16-L20 PolarHBondContact O-N 3.05Å; K16-T58 WeakPolarHBondContact CE-O 3.49Å; K16-T58 PolarHBondContact NZ-O 3.12Å; K16-C81 HydrophobicContact CG-CB 4.05Å
17T94.9Very high94.5Very high20 Ų2025.9 Ų25.912%0.12317%0.168CC..Hα-helixtrans-60.5-46.3177.9-41.10000112L19 L20 I21 T35 D57T17-L19 VanDerWaalsContact C-N 3.3Å; T17-L19 PolarHBondContact O-N 3.45Å; T17-L20 PolarHBondContact O-N 2.86Å; T17-I21 HydrophobicContact CG2-CD1 3.8Å; T17-I21 HydrophobicContact CG2-CG1 4.45Å; T17-I21 WeakPolarHBondContact O-CB 3.46Å; T17-I21 WeakPolarHBondContact O-CG1 3.47Å; T17-I21 PolarHBondContact O-N 3.01Å; T17-T35 WeakPolarHBondContact CG2-OG1 3.48Å; T17-T35 PolarHBondContact OG1-OG1 3Å; T17-D57 VanDerWaalsContact CA-OD2 3.29Å; T17-D57 WeakPolarHBondContact CA-OD2 3.44Å; T17-D57 VanDerWaalsContact CB-OD2 3.23Å; T17-D57 WeakPolarHBondContact CB-OD2 3.49Å; T17-D57 WeakPolarHBondContact CG2-OD2 3.44Å; T17-D57 PolarHBondContact OG1-OD2 2.82Å
18C94.7Very high93.9Very high21 Ų2130.2 Ų30.214%0.14219%0.187CC..Hα-helixtrans-60.7-39.1176.1-57.40000112.1G15 K16 S22 F28 P29 A159G15-C18 PolarHBondContact O-N 2.96Å; K16-C18 PolarHBondContact O-N 3.14Å; C18-S22 WeakPolarHBondContact O-CB 3.37Å; C18-S22 PolarHBondContact O-N 3.11Å; C18-F28 HydrophobicContact CB-CD2 4.48Å; C18-F28 HydrophobicContact CB-CE2 3.79Å; C18-F28 HydrophobicContact CB-CZ 4.33Å; C18-P29 HydrophobicContact CB-CG 4.28Å; C18-A159 HydrophobicContact CB-CB 3.96Å
19L95.8Very high93.2Very high1 Ų131.6 Ų31.61%0.00520%0.196CC..Hα-helixtrans-58.7-50.1175.3-174.383.9000110.7G15 K16 T17 Y23 L79 C157 L165 F169G15-L19 WeakPolarHBondContact O-CB 3.44Å; G15-L19 PolarHBondContact O-N 2.85Å; K16-L19 VanDerWaalsContact O-CB 3.22Å; K16-L19 WeakPolarHBondContact O-CB 3.43Å; K16-L19 PolarHBondContact O-N 2.95Å; K16-L19 VanDerWaalsContact O-N 3.15Å; T17-L19 VanDerWaalsContact C-N 3.3Å; T17-L19 PolarHBondContact O-N 3.45Å; L19-Y23 WeakPolarHBondContact O-CB 3.32Å; L19-Y23 PolarHBondContact O-N 3.41Å; L19-Y23 VanDerWaalsContact O-N 3.1Å; L19-L79 HydrophobicContact CD2-CD1 4.04Å; L19-C157 WeakPolarHBondContact CD1-SG 3.48Å; L19-L165 HydrophobicContact CD1-CD1 3.25Å; L19-L165 HydrophobicContact CG-CD1 3.84Å; L19-F169 HydrophobicContact CD2-CE2 4.49Å; L19-F169 HydrophobicContact CD2-CZ 3.98Å; L19-F169 HydrophobicContact CG-CE2 4.13Å; L19-F169 HydrophobicContact CG-CZ 3.93Å
20L94.4Very high91.9Very high0 Ų035.6 Ų35.60%024%0.237CC..Hα-helixtrans-68.8-46.7-176.9-64.3179000112.5V8 K16 T17 Y23 T24 Y40 L55 D57 F169V8-L20 HydrophobicContact CB-CD1 4.43Å; V8-L20 HydrophobicContact CG2-CD1 4.02Å; V8-L20 HydrophobicContact CG2-CD2 3.64Å; V8-L20 HydrophobicContact CG2-CG 4.14Å; K16-L20 WeakPolarHBondContact O-CG 3.48Å; K16-L20 PolarHBondContact O-N 3.05Å; T17-L20 PolarHBondContact O-N 2.86Å; L20-Y23 PolarHBondContact O-N 3.02Å; L20-T24 WeakPolarHBondContact O-CG2 3.41Å; L20-T24 PolarHBondContact O-N 2.96Å; L20-T24 PolarHBondContact O-OG1 3.21Å; L20-Y40 HydrophobicContact CB-CD2 4.19Å; L20-Y40 HydrophobicContact CB-CE2 4.28Å; L20-Y40 HydrophobicContact CD1-CD2 4.35Å; L20-Y40 HydrophobicContact CD1-CE2 4.42Å; L20-L55 HydrophobicContact CD2-CB 3.95Å; L20-L55 HydrophobicContact CD2-CD1 4.14Å; L20-L55 HydrophobicContact CD2-CD2 3.83Å; 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 3.87Å; L20-F169 HydrophobicContact CD2-CZ 3.85Å
21I92.1Very high90.7Very high39 Ų3943.6 Ų43.620%0.228%0.275CS..Hα-helixtrans-63.8-45.8177.8-67.4174.6000110.5T17 Y23 T24 T25 P29 Y40T17-I21 HydrophobicContact CG2-CD1 3.8Å; T17-I21 HydrophobicContact CG2-CG1 4.45Å; T17-I21 WeakPolarHBondContact O-CB 3.46Å; T17-I21 WeakPolarHBondContact O-CG1 3.47Å; T17-I21 PolarHBondContact O-N 3.01Å; I21-Y23 VanDerWaalsContact C-N 3.27Å; I21-Y23 PolarHBondContact O-N 3.31Å; I21-T24 PolarHBondContact O-N 3.06Å; I21-T24 PolarHBondContact O-OG1 3.38Å; I21-T25 HydrophobicContact CG2-CG2 4.23Å; I21-T25 WeakPolarHBondContact O-CB 3.36Å; I21-T25 WeakPolarHBondContact O-CG2 3.34Å; I21-T25 PolarHBondContact O-N 2.97Å; I21-T25 PolarHBondContact O-OG1 3.24Å; I21-P29 HydrophobicContact CB-CG 4.46Å; I21-P29 HydrophobicContact CD1-CB 4.25Å; I21-P29 HydrophobicContact CD1-CG 4.34Å; I21-P29 HydrophobicContact CG2-CB 4.23Å; I21-P29 HydrophobicContact CG2-CG 4.32Å; I21-Y40 HydrophobicContact CG1-CE1 4.33Å
22S93.8Very high89.1Confident0 Ų048.7 Ų48.70%029%0.293CS..Hα-helixtrans-62.1-38.2-179.6-177.90000111.8C18 N26 A27 A159 L165C18-S22 WeakPolarHBondContact O-CB 3.37Å; C18-S22 PolarHBondContact O-N 3.11Å; S22-N26 WeakPolarHBondContact O-CA 3.41Å; S22-N26 PolarHBondContact O-N 3.49Å; S22-A27 VanDerWaalsContact CA-O 3.26Å; S22-A27 WeakPolarHBondContact CA-O 3.22Å; S22-A159 PolarHBondContact OG-O 3.32Å; S22-L165 VanDerWaalsContact OG-CD2 3.25Å; S22-L165 WeakPolarHBondContact OG-CD2 3.35Å
23Y94.2Very high88Confident29 Ų2953.1 Ų53.111%0.11431%0.308CS..Hα-helixtrans-69-40177.9175.6-108.2000112.7L19 L20 I21 A42 V44 L53 L55 L165 F169L19-Y23 WeakPolarHBondContact O-CB 3.32Å; L19-Y23 PolarHBondContact O-N 3.41Å; L19-Y23 VanDerWaalsContact O-N 3.1Å; L20-Y23 PolarHBondContact O-N 3.02Å; I21-Y23 VanDerWaalsContact C-N 3.27Å; I21-Y23 PolarHBondContact O-N 3.31Å; Y23-A42 HydrophobicContact CE1-CB 4.1Å; Y23-V44 WeakPolarHBondContact OH-CG1 3.44Å; Y23-L53 HydrophobicContact CE1-CD2 4.01Å; Y23-L55 HydrophobicContact CD1-CD1 3.96Å; Y23-L55 HydrophobicContact CE1-CD1 4.31Å; Y23-L165 HydrophobicContact CD2-CG 4.44Å; Y23-F169 VanDerWaalsContact CB-CE2 3.42Å; Y23-F169 HydrophobicContact CD1-CD1 4.27Å; Y23-F169 AromaticContact CD1-CD2 3.81Å; Y23-F169 HydrophobicContact CD1-CD2 3.81Å; Y23-F169 HydrophobicContact CD1-CE1 4.34Å; Y23-F169 AromaticContact CD1-CE2 3.91Å; Y23-F169 HydrophobicContact CD1-CE2 3.91Å; Y23-F169 AromaticContact CD1-CG 3.99Å; Y23-F169 HydrophobicContact CD1-CG 3.99Å; Y23-F169 HydrophobicContact CD1-CZ 4.16Å; Y23-F169 HydrophobicContact CD2-CB 4.31Å; Y23-F169 AromaticContact CD2-CD2 3.22Å; Y23-F169 HydrophobicContact CD2-CD2 3.22Å; Y23-F169 AromaticContact CD2-CE2 3.7Å; Y23-F169 HydrophobicContact CD2-CE2 3.7Å; Y23-F169 AromaticContact CD2-CG 3.93Å; Y23-F169 HydrophobicContact CD2-CG 3.93Å; Y23-F169 HydrophobicContact CE1-CB 4.12Å; Y23-F169 HydrophobicContact CE1-CD1 4.21Å; Y23-F169 HydrophobicContact CE1-CD2 4.07Å; Y23-F169 AromaticContact CE1-CG 3.85Å; Y23-F169 HydrophobicContact CE1-CG 3.85Å; Y23-F169 HydrophobicContact CE2-CB 3.67Å; Y23-F169 AromaticContact CE2-CD2 3.51Å; Y23-F169 HydrophobicContact CE2-CD2 3.51Å; Y23-F169 HydrophobicContact CE2-CE2 4.39Å; Y23-F169 AromaticContact CE2-CG 3.77Å; Y23-F169 HydrophobicContact CE2-CG 3.77Å; Y23-F169 AromaticContact CG-CD2 3.35Å; Y23-F169 HydrophobicContact CG-CD2 3.35Å; Y23-F169 AromaticContact CG-CE2 3.39Å; Y23-F169 HydrophobicContact CG-CE2 3.39Å; Y23-F169 HydrophobicContact CG-CG 4Å; Y23-F169 HydrophobicContact CG-CZ 4.04Å; Y23-F169 AromaticContact CZ-CD2 3.91Å; Y23-F169 AromaticContact CZ-CG 3.71Å
24T90.9Very high87Confident44 Ų4453.9 Ų53.927%0.2731%0.308SS..Hα-helixtrans-81.7-27.7-175.7510000113.4L20 I21 L55L20-T24 WeakPolarHBondContact O-CG2 3.41Å; L20-T24 PolarHBondContact O-N 2.96Å; L20-T24 PolarHBondContact O-OG1 3.21Å; I21-T24 PolarHBondContact O-N 3.06Å; I21-T24 PolarHBondContact O-OG1 3.38Å; T24-L55 HydrophobicContact CG2-CD1 3.54Å
25T89.2Confident86Confident79 Ų7954.2 Ų54.249%0.48531%0.31SS..Hα-helixtrans-112-8.5-174.467.60000114.1I21 A27I21-T25 HydrophobicContact CG2-CG2 4.23Å; I21-T25 WeakPolarHBondContact O-CB 3.36Å; I21-T25 WeakPolarHBondContact O-CG2 3.34Å; I21-T25 PolarHBondContact O-N 2.97Å; I21-T25 PolarHBondContact O-OG1 3.24Å; T25-A27 PolarHBondContact O-N 2.97Å; T25-A27 PolarHBondContact OG1-N 3.38Å; T25-A27 PolarHBondContact OG1-O 3.47Å
26N88.1Confident84.9Confident119 Ų11957.6 Ų57.664%0.63633%0.327SS*.SBendtrans54.625.8-168.9-59.9-57.6000113.5S22 Q162S22-N26 WeakPolarHBondContact O-CA 3.41Å; S22-N26 PolarHBondContact O-N 3.49Å; N26-Q162 PolarHBondContact O-NE2 3.36Å
27A86.4Confident83.1Confident48 Ų4861 Ų6140%0.39734%0.342SS..SBendtrans-139.2143.1-179.700000111.3S22 T25S22-A27 VanDerWaalsContact CA-O 3.26Å; S22-A27 WeakPolarHBondContact CA-O 3.22Å; T25-A27 PolarHBondContact O-N 2.97Å; T25-A27 PolarHBondContact OG1-N 3.38Å; T25-A27 PolarHBondContact OG1-O 3.47Å
28F85.9Confident82.4Confident91 Ų9163.6 Ų63.640%0.39936%0.355SS..  trans-79.8133.7174-170-98.8000110.2C18 G30 A159 L160C18-F28 HydrophobicContact CB-CD2 4.48Å; C18-F28 HydrophobicContact CB-CE2 3.79Å; C18-F28 HydrophobicContact CB-CZ 4.33Å; F28-G30 PolarHBondContact O-N 3.24Å; F28-A159 HydrophobicContact CD2-CB 4.02Å; F28-A159 HydrophobicContact CE2-CB 3.94Å; F28-L160 HydrophobicContact CB-CD1 4.25Å; F28-L160 HydrophobicContact CD1-CD1 3.87Å; F28-L160 VanDerWaalsContact CD2-CA 3.44Å; F28-L160 HydrophobicContact CD2-CB 4.07Å; F28-L160 HydrophobicContact CD2-CD1 4.27Å; F28-L160 HydrophobicContact CE1-CD1 4.27Å; F28-L160 HydrophobicContact CE2-CB 4.1Å; F28-L160 HydrophobicContact CG-CD1 3.86Å
29P82.8Confident81.8Confident29 Ų2966.9 Ų66.919%0.18837%0.372CS..  trans-67.4133.2178.927-33.4000111.1C18 I21C18-P29 HydrophobicContact CB-CG 4.28Å; I21-P29 HydrophobicContact CB-CG 4.46Å; I21-P29 HydrophobicContact CD1-CB 4.25Å; I21-P29 HydrophobicContact CD1-CG 4.34Å; I21-P29 HydrophobicContact CG2-CB 4.23Å; I21-P29 HydrophobicContact CG2-CG 4.32Å
30G70.4Confident81.4Confident84 Ų8469.7 Ų69.787%0.86638%0.383SS*.SBendtrans-75.6-44.9-177.700000114.2F28F28-G30 PolarHBondContact O-N 3.24Å
31E73Confident81.2Confident168 Ų16873.7 Ų73.779%0.78541%0.411SS*.SBendtrans-103.8136177.9-68.9-172.5169.500111.2I33E31-I33 PolarHBondContact O-N 3.39Å
32Y65.3Low81.1Confident132 Ų13272.7 Ų72.752%0.51841%0.408SS..  trans-83112.2174.6178.1-112000110.3P34Y32-P34 HydrophobicContact CD1-CG 4.42Å; Y32-P34 HydrophobicContact CE1-CB 4.42Å; Y32-P34 HydrophobicContact CE1-CG 3.84Å
33I71.1Confident81.1Confident126 Ų12678 Ų7865%0.64644%0.436SS*.  trans-108.1119.8170-57.5171.9000107.2E31 T35E31-I33 PolarHBondContact O-N 3.39Å; I33-T35 PolarHBondContact O-N 3.23Å
34P73Confident81Confident75 Ų7578 Ų7849%0.48744%0.44SS..  trans-60.8123.4177.1-23.132.6000112.3Y32Y32-P34 HydrophobicContact CD1-CG 4.42Å; Y32-P34 HydrophobicContact CE1-CB 4.42Å; Y32-P34 HydrophobicContact CE1-CG 3.84Å
35T77.8Confident81.1Confident10 Ų1081.6 Ų81.66%0.06146%0.455CS..  trans-73.2133.7178-54.40000112.1T17 I33 D57 A59T17-T35 WeakPolarHBondContact CG2-OG1 3.48Å; T17-T35 PolarHBondContact OG1-OG1 3Å; I33-T35 PolarHBondContact O-N 3.23Å; T35-D57 WeakPolarHBondContact CB-OD2 2.91Å; T35-D57 HydrophobicContact CG2-CB 4.01Å; T35-D57 WeakPolarHBondContact CG2-OD2 3.46Å; T35-D57 PolarHBondContact OG1-OD2 3.29Å; T35-A59 VanDerWaalsContact O-CB 3.32Å; T35-A59 WeakPolarHBondContact O-CB 3.29Å
36V71.1Confident81.3Confident84 Ų8478 Ų7851%0.50943%0.432SS..SBendtrans-91.5-57.5161.3177.90000109A59 Y64V36-A59 PolarHBondContact O-N 2.95Å; V36-Y64 HydrophobicContact CB-CE1 4.33Å; V36-Y64 HydrophobicContact CG1-CD1 4.13Å; V36-Y64 HydrophobicContact CG1-CE1 3.64Å; V36-Y64 HydrophobicContact CG2-CE1 4.12Å
37F60.8Low81.5Confident82 Ų8276.3 Ų76.336%0.3642%0.424SS..EExtended strand (participates in β ladder)trans-165.2132.7173.7179.1-108.5000109.6N39 W56 D57 S71F37-N39 WeakPolarHBondContact CE1-ND2 3.19Å; F37-N39 WeakPolarHBondContact CZ-ND2 3.2Å; F37-N39 WeakPolarHBondContact CZ-OD1 3.34Å; F37-W56 HydrophobicContact CE2-CB 4.4Å; F37-W56 AromaticContact CE2-CD1 3.61Å; F37-W56 HydrophobicContact CE2-CG 4.35Å; F37-W56 AromaticContact CZ-CD1 3.44Å; F37-W56 VanDerWaalsContact CZ-CD1 3.44Å; F37-W56 HydrophobicContact CZ-CG 4.39Å; F37-W56 AromaticContact CZ-NE1 3.89Å; F37-D57 VanDerWaalsContact CD2-O 3.28Å; F37-D57 WeakPolarHBondContact CD2-O 3.45Å; F37-S71 WeakPolarHBondContact CD2-OG 3.42Å; F37-S71 WeakPolarHBondContact CE2-OG 3.3Å
38D79.9Confident81.7Confident74 Ų7479.3 Ų79.340%0.39644%0.442SS..EExtended strand (participates in β ladder)trans-141.6145.5174.5-81.8-52.8000110.8Y40 D57D38-Y40 HydrophobicContact CB-CE2 3.71Å; D38-D57 HydrophobicContact CB-CB 4.3Å; D38-D57 PolarHBondContact N-O 2.95Å; D38-D57 PolarHBondContact O-N 3.38Å
39N82.4Confident82Confident90 Ų9079.9 Ų79.948%0.48144%0.444SS..EExtended strand (participates in β ladder)trans-116.8124.9175.5-67.8-39.1000110.2F37 L55 W56F37-N39 WeakPolarHBondContact CE1-ND2 3.19Å; F37-N39 WeakPolarHBondContact CZ-ND2 3.2Å; F37-N39 WeakPolarHBondContact CZ-OD1 3.34Å; N39-L55 WeakPolarHBondContact CA-O 3.47Å; N39-W56 VanDerWaalsContact OD1-CG 3.31Å; N39-W56 PolarHBondContact OD1-NE1 3.49Å
40Y87.4Confident82.5Confident61 Ų6181.5 Ų81.524%0.23945%0.454CS..EExtended strand (participates in β ladder)trans-115162.7172-48.8-90.2000110L20 I21 D38 G54 L55 D57L20-Y40 HydrophobicContact CB-CD2 4.19Å; L20-Y40 HydrophobicContact CB-CE2 4.28Å; L20-Y40 HydrophobicContact CD1-CD2 4.35Å; L20-Y40 HydrophobicContact CD1-CE2 4.42Å; I21-Y40 HydrophobicContact CG1-CE1 4.33Å; D38-Y40 HydrophobicContact CB-CE2 3.71Å; Y40-G54 WeakPolarHBondContact O-CA 3.29Å; Y40-L55 PolarHBondContact N-O 2.77Å; Y40-L55 PolarHBondContact O-N 3.32Å; Y40-D57 HydrophobicContact CE2-CB 4.33Å
41S89.3Confident83.8Confident84 Ų8477.5 Ų77.559%0.58741%0.413SS*.EExtended strand (participates in β ladder)trans-140.9147.4170.465.80000111.1L53S41-L53 CarbonylContact C-O 3.57Å; S41-L53 VanDerWaalsContact CA-O 3.27Å; S41-L53 WeakPolarHBondContact CA-O 3.4Å
42A90.4Very high84.9Confident17 Ų1772 Ų7214%0.1439%0.389CS..EExtended strand (participates in β ladder)trans-137.2132175.300000109.9Y23 V44 L53Y23-A42 HydrophobicContact CE1-CB 4.1Å; A42-V44 HydrophobicContact CB-CG1 4.04Å; A42-L53 PolarHBondContact N-O 2.82Å; A42-L53 PolarHBondContact O-N 3.43Å
43N93.1Very high86.4Confident111 Ų11165.7 Ų65.759%0.59436%0.364SS*.EExtended strand (participates in β ladder)trans-89.3116.8169-68.6-35.4000108.3V51 N52N43-V51 WeakPolarHBondContact CA-O 3.37Å; N43-N52 PolarHBondContact OD1-ND2 3.13Å
44V93.6Very high87.6Confident31 Ų3160 Ų6019%0.18834%0.336CS..EExtended strand (participates in β ladder)trans-133.2154.8-173.4-61.80000112Y23 A42 V46 V51 I173Y23-V44 WeakPolarHBondContact OH-CG1 3.44Å; A42-V44 HydrophobicContact CB-CG1 4.04Å; V44-V46 HydrophobicContact CG2-CG2 4.2Å; V44-V51 HydrophobicContact CG2-CB 4.25Å; V44-V51 PolarHBondContact N-O 2.97Å; V44-V51 PolarHBondContact O-N 3.02Å; V44-I173 HydrophobicContact CG2-CD1 3.54Å
45M93Very high88.8Confident119 Ų11956.4 Ų56.459%0.58631%0.313SS*.EExtended strand (participates in β ladder)trans-105.2113.9173.5-70.3-65.4-67.800108.8S48 P50M45-S48 WeakPolarHBondContact CE-O 3.24Å; M45-P50 VanDerWaalsContact SD-CA 3.56Å; M45-P50 HydrophobicContact SD-CB 3.71Å
46V92.7Very high89.6Confident2 Ų258.7 Ų58.71%0.01232%0.321CS..EExtended strand (participates in β ladder)trans-122123.7175-1800000108.4V44 S48 K49 I173 R174V44-V46 HydrophobicContact CG2-CG2 4.2Å; V46-S48 PolarHBondContact O-N 3.3Å; V46-K49 PolarHBondContact N-O 3.12Å; V46-K49 VanDerWaalsContact N-O 3.11Å; V46-K49 WeakPolarHBondContact O-CB 3.46Å; V46-K49 PolarHBondContact O-N 2.88Å; V46-I173 HydrophobicContact CB-CG2 3.84Å; V46-I173 HydrophobicContact CG1-CB 4.42Å; V46-I173 HydrophobicContact CG1-CG2 3.93Å; V46-I173 HydrophobicContact CG2-CB 4.24Å; V46-I173 HydrophobicContact CG2-CD1 3.59Å; V46-I173 HydrophobicContact CG2-CG2 3.97Å; V46-R174 HydrophobicContact CG1-CG 4.09Å
47D91.1Very high90.8Very high85 Ų8554.7 Ų54.746%0.45530%0.297SS..THydrogen-bonded Turntrans49.344.7-177.5-54.2-21.3000112.5K49 R174D47-K49 PolarHBondContact O-N 3.02Å; D47-K49 VanDerWaalsContact O-N 3.16Å; D47-R174 IonicContact OD1-CZ 3.25Å; D47-R174 IonicContact OD1-NE 3.47Å; D47-R174 PolarHBondContact OD1-NE 2.86Å; D47-R174 IonicContact OD1-NH2 2.68Å; D47-R174 PolarHBondContact OD1-NH2 2.94Å; D47-R174 WeakPolarHBondContact OD2-CG 3.48Å; D47-R174 IonicContact OD2-CZ 3.49Å; D47-R174 IonicContact OD2-NE 3.28Å; D47-R174 PolarHBondContact OD2-NE 3.36Å; D47-R174 IonicContact OD2-NH2 2.8Å
48S91.8Very high92.3Very high111 Ų11150.9 Ų50.978%0.77628%0.28SS*.THydrogen-bonded Turntrans62.114.2-177.2-56.10000115.4M45 V46M45-S48 WeakPolarHBondContact CE-O 3.24Å; V46-S48 PolarHBondContact O-N 3.3Å
49K91.1Very high92.8Very high102 Ų10247.6 Ų47.644%0.44326%0.263SS..EExtended strand (participates in β ladder)trans-104.8127.5175.2-64.1175.2-179.6177.80110.6V46 D47 V51 L177V46-K49 PolarHBondContact N-O 3.12Å; V46-K49 VanDerWaalsContact N-O 3.11Å; V46-K49 WeakPolarHBondContact O-CB 3.46Å; V46-K49 PolarHBondContact O-N 2.88Å; D47-K49 PolarHBondContact O-N 3.02Å; D47-K49 VanDerWaalsContact O-N 3.16Å; K49-V51 PolarHBondContact O-N 2.93Å; K49-L177 HydrophobicContact CB-CD1 4.46Å; K49-L177 HydrophobicContact CD-CD1 4.05Å
50P94.9Very high93.1Very high63 Ų6343.7 Ų43.741%0.40924%0.244SC..EExtended strand (participates in β ladder)trans-75.9122.117529-32.8000111M1 Q2 M45M1-P50 HydrophobicContact CE-CB 4.39Å; M1-P50 HydrophobicContact CG-CB 4.37Å; Q2-P50 PolarHBondContact N-O 3.41Å; M45-P50 VanDerWaalsContact SD-CA 3.56Å; M45-P50 HydrophobicContact SD-CB 3.71Å
51V96.8Very high93.2Very high1 Ų143.5 Ų43.51%0.00625%0.246CC..EExtended strand (participates in β ladder)trans-121.7135.2-178.4174.70000109.7Q2 I4 N43 V44 K49 L53 I173 L177Q2-V51 WeakPolarHBondContact O-CA 3.44Å; I4-V51 HydrophobicContact CB-CG1 4.18Å; I4-V51 HydrophobicContact CD1-CG1 3.75Å; I4-V51 HydrophobicContact CD1-CG2 4.42Å; I4-V51 HydrophobicContact CG1-CG1 3.96Å; N43-V51 WeakPolarHBondContact CA-O 3.37Å; V44-V51 HydrophobicContact CG2-CB 4.25Å; V44-V51 PolarHBondContact N-O 2.97Å; V44-V51 PolarHBondContact O-N 3.02Å; K49-V51 PolarHBondContact O-N 2.93Å; V51-L53 HydrophobicContact CG1-CB 4.43Å; V51-I173 HydrophobicContact CG1-CD1 4.13Å; V51-I173 HydrophobicContact CG1-CG1 4.29Å; V51-I173 HydrophobicContact CG1-CG2 4.42Å; V51-I173 HydrophobicContact CG2-CG2 3.97Å; V51-L177 HydrophobicContact CG2-CD1 4.09Å
52N96.5Very high93Very high51 Ų5146.7 Ų46.727%0.27325%0.251SS..EExtended strand (participates in β ladder)trans-95.3105.2163.2-177.3-73.4000107.2M1 Q2 A3 I4 N43M1-N52 HydrophobicContact CG-CB 4.13Å; 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 3.38Å; I4-N52 PolarHBondContact N-O 3.17Å; N43-N52 PolarHBondContact OD1-ND2 3.13Å
53L96.8Very high93Very high0 Ų052.8 Ų52.80%028%0.281CS..EExtended strand (participates in β ladder)trans-93.5109.7179.4-178.765.7000108.5I4 C6 Y23 S41 A42 V51 L55 F169 I173I4-L53 HydrophobicContact CB-CD1 4.16Å; I4-L53 HydrophobicContact CG2-CD1 3.9Å; C6-L53 HydrophobicContact CB-CD1 3.78Å; Y23-L53 HydrophobicContact CE1-CD2 4.01Å; S41-L53 CarbonylContact C-O 3.57Å; S41-L53 VanDerWaalsContact CA-O 3.27Å; S41-L53 WeakPolarHBondContact CA-O 3.4Å; A42-L53 PolarHBondContact N-O 2.82Å; A42-L53 PolarHBondContact O-N 3.43Å; V51-L53 HydrophobicContact CG1-CB 4.43Å; L53-L55 HydrophobicContact CD1-CD2 4.48Å; L53-L55 HydrophobicContact CD2-CD2 3.73Å; L53-L55 HydrophobicContact CD2-CG 4.38Å; L53-L55 HydrophobicContact CG-CD2 3.84Å; L53-L55 HydrophobicContact CG-CG 4.23Å; L53-F169 HydrophobicContact CD2-CB 4.19Å; L53-F169 HydrophobicContact CD2-CD1 3.88Å; L53-F169 HydrophobicContact CD2-CG 4.39Å; L53-I173 HydrophobicContact CB-CD1 4.4Å; L53-I173 HydrophobicContact CD1-CD1 4.46Å; L53-I173 HydrophobicContact CD1-CG1 4.11Å; L53-I173 HydrophobicContact CD2-CD1 4.04Å; L53-I173 HydrophobicContact CD2-CG1 4.41Å
54G97.3Very high92.9Very high6 Ų650.8 Ų50.86%0.06227%0.266CS..EExtended strand (participates in β ladder)trans-87.3139.9166.600000110.4I4 C6 Y40 W56I4-G54 PolarHBondContact O-N 3.09Å; C6-G54 PolarHBondContact N-O 3.07Å; Y40-G54 WeakPolarHBondContact O-CA 3.29Å; G54-W56 VanDerWaalsContact O-CZ3 3.31Å; G54-W56 WeakPolarHBondContact O-CZ3 3.44Å
55L96.3Very high92.8Very high0 Ų051.8 Ų51.80%027%0.27CS..EExtended strand (participates in β ladder)trans-124.1115.9-171.7-63.3167.3000108.9C6 L20 Y23 T24 N39 Y40 L53 F169C6-L55 HydrophobicContact CB-CD2 4.11Å; C6-L55 WeakPolarHBondContact O-CA 3.02Å; L20-L55 HydrophobicContact CD2-CB 3.95Å; L20-L55 HydrophobicContact CD2-CD1 4.14Å; L20-L55 HydrophobicContact CD2-CD2 3.83Å; L20-L55 HydrophobicContact CD2-CG 4.18Å; Y23-L55 HydrophobicContact CD1-CD1 3.96Å; Y23-L55 HydrophobicContact CE1-CD1 4.31Å; T24-L55 HydrophobicContact CG2-CD1 3.54Å; N39-L55 WeakPolarHBondContact CA-O 3.47Å; Y40-L55 PolarHBondContact N-O 2.77Å; Y40-L55 PolarHBondContact O-N 3.32Å; L53-L55 HydrophobicContact CD1-CD2 4.48Å; L53-L55 HydrophobicContact CD2-CD2 3.73Å; L53-L55 HydrophobicContact CD2-CG 4.38Å; L53-L55 HydrophobicContact CG-CD2 3.84Å; L53-L55 HydrophobicContact CG-CG 4.23Å; L55-F169 HydrophobicContact CD2-CD1 3.9Å; L55-F169 HydrophobicContact CD2-CE1 3.55Å
56W96.3Very high92.7Very high58 Ų5857.2 Ų57.222%0.2228%0.284CS..EExtended strand (participates in β ladder)trans-102.8106.8179.6-79.5-115000108.8K5 C6 V7 V8 F37 N39 G54K5-W56 HydrophobicContact CB-CE3 4.32Å; K5-W56 HydrophobicContact CB-CH2 4.15Å; K5-W56 HydrophobicContact CB-CZ3 3.77Å; K5-W56 HydrophobicContact CD-CD2 4.11Å; K5-W56 HydrophobicContact CD-CE3 4.13Å; K5-W56 HydrophobicContact CD-CH2 3.94Å; K5-W56 HydrophobicContact CD-CZ2 3.9Å; K5-W56 HydrophobicContact CD-CZ3 4.01Å; K5-W56 HydrophobicContact CG-CD2 4Å; K5-W56 HydrophobicContact CG-CE3 3.58Å; K5-W56 HydrophobicContact CG-CH2 3.92Å; K5-W56 HydrophobicContact CG-CZ2 4.31Å; K5-W56 HydrophobicContact CG-CZ3 3.49Å; K5-W56 VanDerWaalsContact CG-CZ3 3.49Å; C6-W56 PolarHBondContact O-N 2.93Å; V7-W56 HydrophobicContact CB-CB 4.29Å; V7-W56 HydrophobicContact CG1-CB 4.36Å; V7-W56 HydrophobicContact CG2-CB 3.81Å; V7-W56 HydrophobicContact CG2-CG 4.19Å; V8-W56 PolarHBondContact N-O 3.35Å; F37-W56 HydrophobicContact CE2-CB 4.4Å; F37-W56 AromaticContact CE2-CD1 3.61Å; F37-W56 HydrophobicContact CE2-CG 4.35Å; F37-W56 AromaticContact CZ-CD1 3.44Å; F37-W56 VanDerWaalsContact CZ-CD1 3.44Å; F37-W56 HydrophobicContact CZ-CG 4.39Å; F37-W56 AromaticContact CZ-NE1 3.89Å; N39-W56 VanDerWaalsContact OD1-CG 3.31Å; N39-W56 PolarHBondContact OD1-NE1 3.49Å; G54-W56 VanDerWaalsContact O-CZ3 3.31Å; G54-W56 WeakPolarHBondContact O-CZ3 3.44Å
57D94.6Very high92.7Very high0 Ų061.8 Ų61.80%031%0.308CS..EExtended strand (participates in β ladder)trans-81135.2171.4-161.210.9000109.8T17 L20 T35 F37 D38 Y40T17-D57 VanDerWaalsContact CA-OD2 3.29Å; T17-D57 WeakPolarHBondContact CA-OD2 3.44Å; T17-D57 VanDerWaalsContact CB-OD2 3.23Å; T17-D57 WeakPolarHBondContact CB-OD2 3.49Å; T17-D57 WeakPolarHBondContact CG2-OD2 3.44Å; T17-D57 PolarHBondContact OG1-OD2 2.82Å; L20-D57 HydrophobicContact CD1-CB 3.41Å; L20-D57 VanDerWaalsContact CD1-CB 3.41Å; T35-D57 WeakPolarHBondContact CB-OD2 2.91Å; T35-D57 HydrophobicContact CG2-CB 4.01Å; T35-D57 WeakPolarHBondContact CG2-OD2 3.46Å; T35-D57 PolarHBondContact OG1-OD2 3.29Å; F37-D57 VanDerWaalsContact CD2-O 3.28Å; F37-D57 WeakPolarHBondContact CD2-O 3.45Å; D38-D57 HydrophobicContact CB-CB 4.3Å; D38-D57 PolarHBondContact N-O 2.95Å; D38-D57 PolarHBondContact O-N 3.38Å; Y40-D57 HydrophobicContact CE2-CB 4.33Å
58T94.1Very high92.9Very high3 Ų358.1 Ų58.12%0.01829%0.288CS..EExtended strand (participates in β ladder)trans-125.8144.3-179.571.10000112.3V7 V8 K16 G60 R68V7-T58 HydrophobicContact CG1-CG2 3.91Å; V8-T58 PolarHBondContact O-OG1 2.95Å; K16-T58 WeakPolarHBondContact CE-O 3.49Å; K16-T58 PolarHBondContact NZ-O 3.12Å; T58-G60 PolarHBondContact O-N 2.89Å; T58-R68 HydrophobicContact CG2-CG 4.12Å
59A90.6Very high93Very high4 Ų453.9 Ų53.93%0.03326%0.258CS..  trans-60.4134.9172.600000111.5T35 V36 Y64 R68T35-A59 VanDerWaalsContact O-CB 3.32Å; T35-A59 WeakPolarHBondContact O-CB 3.29Å; V36-A59 PolarHBondContact O-N 2.95Å; A59-Y64 HydrophobicContact CB-CD1 4.27Å; A59-Y64 HydrophobicContact CB-CD2 3.42Å; A59-Y64 VanDerWaalsContact CB-CD2 3.42Å; A59-Y64 HydrophobicContact CB-CE2 4.15Å; A59-Y64 HydrophobicContact CB-CG 3.49Å; A59-Y64 VanDerWaalsContact CB-CG 3.49Å; A59-R68 PolarHBondContact O-NE 3.19Å; A59-R68 PolarHBondContact O-NH2 3.49Å
60G88.4Confident93.2Very high8 Ų855.3 Ų55.38%0.08227%0.27CS..  trans-94.2-5.7178.500000114.3G10 G12 T58G10-G60 WeakPolarHBondContact O-CA 3.49Å; G12-G60 PolarHBondContact N-O 2.87Å; T58-G60 PolarHBondContact O-N 2.89Å
61Q88.2Confident93.2Very high58 Ų5853 Ų5327%0.27126%0.255SS..SBendtrans-81.6150.5-180-53.486-20.400111D63 Y64 R68Q61-D63 VanDerWaalsContact C-N 3.26Å; Q61-D63 PolarHBondContact O-N 3.13Å; Q61-Y64 HydrophobicContact CB-CD2 4.11Å; Q61-Y64 HydrophobicContact CB-CE2 4.5Å; Q61-Y64 PolarHBondContact O-N 3.48Å; Q61-R68 PolarHBondContact O-NH2 3.31Å; Q61-R68 VanDerWaalsContact O-NH2 3.11Å
62E86.5Confident93.2Very high150 Ų15053 Ų5370%0.70126%0.255SS*.G310 helixtrans-65-29.2-178.4-63-176.5169.600113Y64 D65E62-Y64 PolarHBondContact O-N 3Å; E62-D65 VanDerWaalsContact O-CB 3.32Å; E62-D65 WeakPolarHBondContact O-CB 3.4Å; E62-D65 VanDerWaalsContact O-CG 3.3Å; E62-D65 PolarHBondContact O-N 3.48Å
63D90.6Very high93.2Very high146 Ų14654.4 Ų54.478%0.78127%0.267SS*.G310 helixtrans-55-23.4175.9-60.6-38.7000112.9Q61Q61-D63 VanDerWaalsContact C-N 3.26Å; Q61-D63 PolarHBondContact O-N 3.13Å
64Y89.9Confident93.2Very high68 Ų6862.9 Ų62.927%0.26731%0.306SS..G310 helixtrans-104.76.8-178.9-59.1-80.8000113.8V36 A59 Q61 E62 R66 L67 R68V36-Y64 HydrophobicContact CB-CE1 4.33Å; V36-Y64 HydrophobicContact CG1-CD1 4.13Å; V36-Y64 HydrophobicContact CG1-CE1 3.64Å; V36-Y64 HydrophobicContact CG2-CE1 4.12Å; A59-Y64 HydrophobicContact CB-CD1 4.27Å; A59-Y64 HydrophobicContact CB-CD2 3.42Å; A59-Y64 VanDerWaalsContact CB-CD2 3.42Å; A59-Y64 HydrophobicContact CB-CE2 4.15Å; A59-Y64 HydrophobicContact CB-CG 3.49Å; A59-Y64 VanDerWaalsContact CB-CG 3.49Å; Q61-Y64 HydrophobicContact CB-CD2 4.11Å; Q61-Y64 HydrophobicContact CB-CE2 4.5Å; Q61-Y64 PolarHBondContact O-N 3.48Å; E62-Y64 PolarHBondContact O-N 3Å; Y64-R66 PolarHBondContact O-N 3.13Å; Y64-R66 VanDerWaalsContact O-N 3.15Å; Y64-L67 HydrophobicContact CD1-CD1 4.09Å; Y64-L67 PolarHBondContact O-N 3.47Å; Y64-R68 WeakPolarHBondContact O-CB 3.42Å; Y64-R68 PolarHBondContact O-N 3.11Å
65D91.2Very high93.2Very high52 Ų5263.1 Ų63.128%0.27831%0.306SS..THydrogen-bonded Turntrans-58-31.7-176.9-78.3-8.3000112.9E62 R68 P69 K96E62-D65 VanDerWaalsContact O-CB 3.32Å; E62-D65 WeakPolarHBondContact O-CB 3.4Å; E62-D65 VanDerWaalsContact O-CG 3.3Å; E62-D65 PolarHBondContact O-N 3.48Å; D65-R68 IonicContact OD1-CZ 3.99Å; D65-R68 VanDerWaalsContact OD1-CZ 3.25Å; D65-R68 IonicContact OD1-NH1 3.35Å; D65-R68 PolarHBondContact OD1-NH1 3.12Å; D65-R68 IonicContact OD1-NH2 2.92Å; D65-R68 PolarHBondContact OD1-NH2 2.89Å; D65-P69 WeakPolarHBondContact O-CD 3.46Å; D65-K96 VanDerWaalsContact CG-NZ 3.26Å; D65-K96 WeakPolarHBondContact OD1-CE 3.41Å; D65-K96 IonicContact OD1-NZ 3.95Å; D65-K96 PolarHBondContact OD1-NZ 2.62Å; D65-K96 IonicContact OD2-NZ 2.96Å; D65-K96 PolarHBondContact OD2-NZ 3.13Å
66R91.6Very high93.3Very high234 Ų23466 Ų6688%0.88332%0.322SS*.THydrogen-bonded Turntrans-80.8-24.2176.8-64.8-175178.8-1760.6113.9Y64Y64-R66 PolarHBondContact O-N 3.13Å; Y64-R66 VanDerWaalsContact O-N 3.15Å
67L91.6Very high93.4Very high98 Ų9863.3 Ų63.351%0.51331%0.311SS..THydrogen-bonded Turntrans-91.6-34.6-176.5-65.7176.5000111.5Y64 L70Y64-L67 HydrophobicContact CD1-CD1 4.09Å; Y64-L67 PolarHBondContact O-N 3.47Å; L67-L70 HydrophobicContact CD2-CD1 4.08Å; L67-L70 WeakPolarHBondContact O-CB 3.31Å; L67-L70 VanDerWaalsContact O-CG 3.31Å; L67-L70 WeakPolarHBondContact O-CG 3.46Å; L67-L70 PolarHBondContact O-N 3.33Å
68R95.1Very high93.6Very high7 Ų763.3 Ų63.33%0.02631%0.311CS..G310 helixtrans-53.6-43-178.5-172.1-174.6-42.9113.47.8113.9T58 A59 Q61 Y64 D65 L70 S71 Y72 W97 E100T58-R68 HydrophobicContact CG2-CG 4.12Å; A59-R68 PolarHBondContact O-NE 3.19Å; A59-R68 PolarHBondContact O-NH2 3.49Å; Q61-R68 PolarHBondContact O-NH2 3.31Å; Q61-R68 VanDerWaalsContact O-NH2 3.11Å; Y64-R68 WeakPolarHBondContact O-CB 3.42Å; Y64-R68 PolarHBondContact O-N 3.11Å; D65-R68 IonicContact OD1-CZ 3.99Å; D65-R68 VanDerWaalsContact OD1-CZ 3.25Å; D65-R68 IonicContact OD1-NH1 3.35Å; D65-R68 PolarHBondContact OD1-NH1 3.12Å; D65-R68 IonicContact OD1-NH2 2.92Å; D65-R68 PolarHBondContact OD1-NH2 2.89Å; R68-L70 PolarHBondContact O-N 2.94Å; R68-L70 VanDerWaalsContact O-N 3.12Å; R68-S71 WeakPolarHBondContact O-CB 3.49Å; R68-S71 PolarHBondContact O-N 3.45Å; R68-Y72 VanDerWaalsContact CD-OH 3.25Å; R68-Y72 WeakPolarHBondContact CD-OH 3.29Å; R68-Y72 HydrophobicContact CG-CE1 4Å; R68-W97 VanDerWaalsContact CZ-CH2 3.42Å; R68-W97 VanDerWaalsContact NH1-CZ3 3.27Å; R68-E100 WeakPolarHBondContact CD-OE1 3.1Å; R68-E100 IonicContact CZ-OE1 3.84Å; R68-E100 IonicContact NE-OE1 3.85Å; R68-E100 VanDerWaalsContact NH1-CD 3.35Å; R68-E100 IonicContact NH1-OE1 2.76Å; R68-E100 PolarHBondContact NH1-OE1 3.15Å; R68-E100 IonicContact NH1-OE2 3.25Å; R68-E100 PolarHBondContact NH1-OE2 3.18Å; R68-E100 VanDerWaalsContact NH1-OE2 3.13Å
69P95.7Very high93.9Very high23 Ų2363.1 Ų63.115%0.14931%0.311CS..G310 helixtrans-63.9-18.2179.6-25.336.8000114.5D65 S71 Y72 P73D65-P69 WeakPolarHBondContact O-CD 3.46Å; P69-S71 PolarHBondContact O-N 3.22Å; P69-Y72 HydrophobicContact CB-CD2 4.02Å; P69-Y72 HydrophobicContact CB-CE2 4.19Å; P69-Y72 HydrophobicContact CG-CE2 4.33Å; P69-Y72 WeakPolarHBondContact O-CB 3.43Å; P69-Y72 PolarHBondContact O-N 3.47Å; P69-Y72 VanDerWaalsContact O-N 3.08Å; P69-P73 WeakPolarHBondContact O-CD 3.32Å
70L94.1Very high94.2Very high132 Ų13263 Ų6369%0.69131%0.309SS*.G310 helixtrans-64.1-21.1174.6-56.3177.6000112.1L67 R68 P73L67-L70 HydrophobicContact CD2-CD1 4.08Å; L67-L70 WeakPolarHBondContact O-CB 3.31Å; 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 2.94Å; R68-L70 VanDerWaalsContact O-N 3.12Å; L70-P73 WeakPolarHBondContact O-CD 3.49Å
71S94.8Very high94.7Very high13 Ų1362.6 Ų62.69%0.09131%0.305CS..G310 helixtrans-83.5-12176.1-51.80000113.4K5 F37 R68 P69K5-S71 WeakPolarHBondContact CE-O 3.5Å; K5-S71 PolarHBondContact NZ-O 3.32Å; F37-S71 WeakPolarHBondContact CD2-OG 3.42Å; F37-S71 WeakPolarHBondContact CE2-OG 3.3Å; R68-S71 WeakPolarHBondContact O-CB 3.49Å; R68-S71 PolarHBondContact O-N 3.45Å; P69-S71 PolarHBondContact O-N 3.22Å
72Y97.4Very high95.2Very high3 Ų359.8 Ų59.81%0.01229%0.292CS..  trans-81.2-28-171.7-62.5-8.8000117.4V7 V9 R68 P69 Q74 T75 F78 E100 H104V7-Y72 HydrophobicContact CG1-CD1 4.05Å; V7-Y72 HydrophobicContact CG1-CE1 3.98Å; V9-Y72 HydrophobicContact CG1-CE1 3.91Å; V9-Y72 WeakPolarHBondContact CG1-OH 3.36Å; R68-Y72 VanDerWaalsContact CD-OH 3.25Å; R68-Y72 WeakPolarHBondContact CD-OH 3.29Å; R68-Y72 HydrophobicContact CG-CE1 4Å; P69-Y72 HydrophobicContact CB-CD2 4.02Å; P69-Y72 HydrophobicContact CB-CE2 4.19Å; P69-Y72 HydrophobicContact CG-CE2 4.33Å; P69-Y72 WeakPolarHBondContact O-CB 3.43Å; P69-Y72 PolarHBondContact O-N 3.47Å; P69-Y72 VanDerWaalsContact O-N 3.08Å; Y72-Q74 PolarHBondContact O-N 3.5Å; Y72-T75 VanDerWaalsContact O-CB 3.32Å; Y72-T75 WeakPolarHBondContact O-CB 3.34Å; Y72-T75 PolarHBondContact O-N 3.22Å; Y72-T75 VanDerWaalsContact O-N 3.14Å; Y72-T75 PolarHBondContact O-OG1 3.05Å; Y72-F78 AromaticContact CD1-CE1 3.65Å; Y72-F78 HydrophobicContact CD1-CE1 3.65Å; Y72-F78 AromaticContact CD1-CZ 3.93Å; Y72-F78 HydrophobicContact CD1-CZ 3.93Å; Y72-F78 AromaticContact CE1-CE1 3.78Å; Y72-F78 HydrophobicContact CE1-CE1 3.78Å; Y72-F78 HydrophobicContact CE1-CZ 4.44Å; 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 4.3Å; Y72-E100 PolarHBondContact OH-OE1 2.68Å; Y72-H104 HydrophobicContact CD2-CB 3.64Å; Y72-H104 AromaticContact CD2-CD2 3.96Å; Y72-H104 AromaticContact CD2-CG 3.87Å; Y72-H104 HydrophobicContact CE2-CB 4.32Å; Y72-H104 AromaticContact CE2-CD2 3.96Å
73P96.9Very high95.8Very high80 Ų8052.9 Ų52.952%0.51926%0.26SS..THydrogen-bonded Turntrans-52.3136.2180-29.436.2000112.3K5 P69 L70 T75K5-P73 PolarHBondContact NZ-O 3.01Å; P69-P73 WeakPolarHBondContact O-CD 3.32Å; L70-P73 WeakPolarHBondContact O-CD 3.49Å; P73-T75 PolarHBondContact O-N 2.74Å
74Q95.6Very high96.2Very high178 Ų17845.9 Ų45.983%0.83222%0.223SC*.THydrogen-bonded Turntrans60.428.3179.1-52174.8-55.400114.2Y72Y72-Q74 PolarHBondContact O-N 3.5Å
75T98.1Very high96.6Very high10 Ų1043.7 Ų43.76%0.06122%0.217CC..  trans-74.7126.9173.5-59.30000110.9V7 Y72 P73 V77 F78 T108V7-T75 HydrophobicContact CB-CG2 3.94Å; V7-T75 HydrophobicContact CG2-CG2 3.62Å; V7-T75 WeakPolarHBondContact CG2-OG1 3.4Å; Y72-T75 VanDerWaalsContact O-CB 3.32Å; Y72-T75 WeakPolarHBondContact O-CB 3.34Å; Y72-T75 PolarHBondContact O-N 3.22Å; Y72-T75 VanDerWaalsContact O-N 3.14Å; Y72-T75 PolarHBondContact O-OG1 3.05Å; P73-T75 PolarHBondContact O-N 2.74Å; T75-V77 WeakPolarHBondContact CG2-O 3.19Å; T75-F78 HydrophobicContact CG2-CD1 4.35Å; T75-F78 HydrophobicContact CG2-CD2 3.73Å; T75-F78 HydrophobicContact CG2-CE1 4.13Å; T75-F78 HydrophobicContact CG2-CE2 3.46Å; T75-F78 VanDerWaalsContact CG2-CE2 3.46Å; T75-F78 HydrophobicContact CG2-CG 4.17Å; T75-F78 HydrophobicContact CG2-CZ 3.68Å; T75-T108 HydrophobicContact CG2-CG2 4.18Å; T75-T108 VanDerWaalsContact O-CG2 3.23Å; T75-T108 WeakPolarHBondContact O-CG2 3.34Å; T75-T108 PolarHBondContact O-OG1 2.94Å
76D98.3Very high97Very high62 Ų6243.2 Ų43.233%0.33222%0.217SC..SBendtrans-85.4-32.5178.4-62-60.2000112I4 K5 T108 P109 V176I4-D76 WeakPolarHBondContact CA-OD2 3.42Å; I4-D76 HydrophobicContact CG2-CB 3.98Å; K5-D76 PolarHBondContact N-OD2 3Å; K5-D76 PolarHBondContact O-N 3.46Å; D76-T108 WeakPolarHBondContact O-CG2 3.48Å; D76-P109 VanDerWaalsContact O-CD 3.22Å; D76-P109 WeakPolarHBondContact O-CD 3.17Å; D76-P109 WeakPolarHBondContact O-CG 3.22Å; D76-V176 HydrophobicContact CB-CG1 4.07Å; D76-V176 HydrophobicContact CB-CG2 3.88Å; D76-V176 WeakPolarHBondContact O-CG2 3.4Å
77V98.6Very high97.3Very high0 Ų033 Ų330%018%0.181CC..EExtended strand (participates in β ladder)trans-152.4144177.861.90000111.8I4 K5 C6 V7 T75 P109 I111 A172 V176I4-V77 HydrophobicContact CG2-CG1 4.3Å; K5-V77 PolarHBondContact O-N 2.79Å; C6-V77 WeakPolarHBondContact CA-O 3.38Å; C6-V77 HydrophobicContact CB-CG1 3.83Å; V7-V77 PolarHBondContact N-O 3.44Å; V7-V77 VanDerWaalsContact N-O 3.07Å; T75-V77 WeakPolarHBondContact CG2-O 3.19Å; V77-P109 HydrophobicContact CB-CG 4.21Å; V77-P109 HydrophobicContact CG2-CG 4.25Å; V77-I111 HydrophobicContact CG2-CG1 4.27Å; V77-A172 HydrophobicContact CG1-CB 4.13Å; V77-A172 HydrophobicContact CG2-CB 4.15Å; V77-V176 HydrophobicContact CB-CG2 3.82Å; V77-V176 HydrophobicContact CG1-CG2 4.1Å
78F98.8Very high97.6Very high0 Ų031.3 Ų31.30%018%0.181CC..EExtended strand (participates in β ladder)trans-106.1139.4171.4-76-89.1000111.7V7 V9 Y72 T75 V101 C105 T108 P109 I110 I111V7-F78 HydrophobicContact CB-CD1 3.81Å; V7-F78 HydrophobicContact CB-CE1 3.7Å; V7-F78 HydrophobicContact CB-CZ 4.49Å; V7-F78 HydrophobicContact CG1-CD1 4.04Å; V7-F78 HydrophobicContact CG1-CE1 3.75Å; V7-F78 HydrophobicContact CG2-CE1 4.37Å; V7-F78 WeakPolarHBondContact O-CA 3.27Å; V9-F78 HydrophobicContact CG1-CD1 4.38Å; Y72-F78 AromaticContact CD1-CE1 3.65Å; Y72-F78 HydrophobicContact CD1-CE1 3.65Å; Y72-F78 AromaticContact CD1-CZ 3.93Å; Y72-F78 HydrophobicContact CD1-CZ 3.93Å; Y72-F78 AromaticContact CE1-CE1 3.78Å; Y72-F78 HydrophobicContact CE1-CE1 3.78Å; Y72-F78 HydrophobicContact CE1-CZ 4.44Å; 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 4.35Å; T75-F78 HydrophobicContact CG2-CD2 3.73Å; T75-F78 HydrophobicContact CG2-CE1 4.13Å; T75-F78 HydrophobicContact CG2-CE2 3.46Å; T75-F78 VanDerWaalsContact CG2-CE2 3.46Å; T75-F78 HydrophobicContact CG2-CG 4.17Å; T75-F78 HydrophobicContact CG2-CZ 3.68Å; F78-V101 HydrophobicContact CB-CG1 4.3Å; F78-V101 HydrophobicContact CD1-CG1 4.21Å; F78-V101 HydrophobicContact CD1-CG2 3.93Å; F78-V101 HydrophobicContact CD2-CG1 3.64Å; F78-V101 HydrophobicContact CE1-CG1 4.46Å; F78-V101 HydrophobicContact CE1-CG2 4.19Å; F78-V101 HydrophobicContact CE2-CG1 3.96Å; F78-V101 HydrophobicContact CG-CG1 3.79Å; F78-V101 HydrophobicContact CG-CG2 4.25Å; F78-V101 HydrophobicContact CZ-CG1 4.35Å; F78-C105 HydrophobicContact CE2-CB 3.58Å; F78-C105 HydrophobicContact CZ-CB 4.12Å; F78-T108 HydrophobicContact CD2-CG2 3.51Å; F78-T108 HydrophobicContact CE2-CG2 3.74Å; F78-P109 PolarHBondContact N-O 2.96Å; F78-I110 HydrophobicContact CB-CG1 4.28Å; F78-I110 WeakPolarHBondContact O-CA 3.45Å; F78-I111 PolarHBondContact O-N 2.87Å
79L98.8Very high97.8Very high0 Ų031 Ų310%018%0.18CC..EExtended strand (participates in β ladder)trans-99.9118.7158.2-55.3-173.2000108.3V7 V8 V9 L19 I111 V113 V168 F169 A172V7-L79 PolarHBondContact O-N 3.2Å; V8-L79 HydrophobicContact CB-CB 4.47Å; V8-L79 HydrophobicContact CG1-CB 4.13Å; V8-L79 HydrophobicContact CG2-CB 4.2Å; V8-L79 HydrophobicContact CG2-CD1 3.98Å; V8-L79 HydrophobicContact CG2-CG 4.31Å; V9-L79 PolarHBondContact N-O 2.96Å; L19-L79 HydrophobicContact CD2-CD1 4.04Å; L79-I111 WeakPolarHBondContact CA-O 3.47Å; L79-I111 HydrophobicContact CD2-CB 3.65Å; L79-I111 HydrophobicContact CD2-CG1 4.11Å; L79-I111 HydrophobicContact CD2-CG2 4.18Å; L79-V113 HydrophobicContact CB-CG2 4.28Å; L79-V113 HydrophobicContact CD2-CG2 4.2Å; L79-V168 HydrophobicContact CD1-CG1 3.81Å; L79-V168 HydrophobicContact CD2-CG1 4.18Å; L79-F169 HydrophobicContact CD1-CD1 4.42Å; L79-F169 HydrophobicContact CD1-CE1 3.9Å; L79-F169 HydrophobicContact CD1-CZ 4.39Å; L79-A172 HydrophobicContact CD2-CB 3.96Å
80I98.8Very high97.9Very high0 Ų030.5 Ų30.50%018%0.175CC..EExtended strand (participates in β ladder)trans-97.1113.2166.9-59.2-176.7000107.6V9 V93 W97 V101 I110 I111 L112 V113V9-I80 HydrophobicContact CG2-CB 4.35Å; V9-I80 HydrophobicContact CG2-CG1 3.74Å; I80-V93 HydrophobicContact CG2-CB 4.49Å; I80-V93 HydrophobicContact CG2-CG1 3.97Å; I80-V93 HydrophobicContact CG2-CG2 4.02Å; I80-W97 HydrophobicContact CD1-CB 4.44Å; I80-W97 HydrophobicContact CG2-CB 3.74Å; I80-W97 HydrophobicContact CG2-CG 4.4Å; I80-V101 HydrophobicContact CD1-CG2 4.2Å; I80-V101 HydrophobicContact CG1-CG2 4.44Å; I80-I110 HydrophobicContact CB-CG2 4.38Å; I80-I110 HydrophobicContact CD1-CD1 3.97Å; I80-I110 HydrophobicContact CD1-CG2 3.76Å; I80-I110 HydrophobicContact CG1-CG2 3.84Å; I80-I111 PolarHBondContact N-O 2.85Å; I80-L112 HydrophobicContact CB-CD1 4.42Å; I80-L112 HydrophobicContact CG2-CD1 4.37Å; I80-V113 PolarHBondContact O-N 2.57Å
81C98.8Very high98.2Very high0 Ų028.8 Ų28.80%016%0.164CC..EExtended strand (participates in β ladder)trans-101.7138.1-176.5-64.80000111.9V8 V9 G10 V14 K16 V113 T115V8-C81 VanDerWaalsContact CG1-SG 3.54Å; V9-C81 PolarHBondContact O-N 3.35Å; G10-C81 WeakPolarHBondContact CA-O 3.2Å; V14-C81 HydrophobicContact CG2-CB 4.04Å; K16-C81 HydrophobicContact CG-CB 4.05Å; C81-V113 WeakPolarHBondContact CA-O 3.25Å; C81-T115 HydrophobicContact CB-CG2 4.15Å
82F98.9Very high98.3Very high0 Ų031 Ų310%017%0.174CC..EExtended strand (participates in β ladder)trans-135.5155.7164.972.5-85.6000109.5L84 S89 Y90 V93 L112 V113 G114 T115 I137 Y154F82-L84 HydrophobicContact CE2-CD2 3.76Å; F82-L84 HydrophobicContact CZ-CD2 4.05Å; F82-S89 WeakPolarHBondContact CB-O 3.4Å; F82-Y90 HydrophobicContact CD2-CD2 4.11Å; F82-Y90 HydrophobicContact CD2-CG 4.44Å; F82-Y90 HydrophobicContact CE1-CD2 4.38Å; F82-Y90 AromaticContact CE2-CD2 3.73Å; F82-Y90 HydrophobicContact CE2-CD2 3.73Å; F82-Y90 HydrophobicContact CE2-CG 4.39Å; F82-Y90 AromaticContact CZ-CD2 3.87Å; F82-Y90 HydrophobicContact CZ-CD2 3.87Å; F82-V93 HydrophobicContact CB-CG2 3.99Å; F82-V93 HydrophobicContact CD1-CG2 4.2Å; F82-V93 HydrophobicContact CG-CG2 4.39Å; F82-L112 HydrophobicContact CD1-CD1 3.87Å; F82-L112 HydrophobicContact CD1-CG 4.32Å; F82-L112 HydrophobicContact CE1-CD1 3.96Å; F82-L112 HydrophobicContact CE1-CD2 4.11Å; F82-L112 HydrophobicContact CE1-CG 3.92Å; F82-V113 PolarHBondContact N-O 3.26Å; F82-G114 CarbonylContact O-C 3.44Å; F82-G114 WeakPolarHBondContact O-CA 3.41Å; F82-T115 PolarHBondContact O-N 3.25Å; F82-T115 PolarHBondContact O-OG1 2.68Å; F82-I137 HydrophobicContact CE2-CB 4.05Å; F82-I137 HydrophobicContact CE2-CG1 4.13Å; F82-I137 HydrophobicContact CE2-CG2 3.81Å; F82-I137 HydrophobicContact CZ-CG2 4.2Å; F82-Y154 AromaticContact CE1-CE2 3.82Å; F82-Y154 HydrophobicContact CE1-CE2 3.82Å; F82-Y154 AromaticContact CZ-CE2 3.91Å; F82-Y154 HydrophobicContact CZ-CE2 3.91Å
83S98.8Very high98.4Very high4 Ų430.8 Ų30.83%0.02817%0.174CC..EExtended strand (participates in β ladder)trans-88.3130177.7167.70000110.5V85 S86 S89 T115S83-V85 PolarHBondContact O-N 2.82Å; S83-V85 WeakPolarHBondContact OG-CG2 3.32Å; S83-V85 PolarHBondContact OG-N 3.35Å; S83-S86 PolarHBondContact O-N 2.65Å; S83-S89 PolarHBondContact N-OG 3.05Å; S83-T115 WeakPolarHBondContact CA-OG1 3.14Å
84L98.8Very high98.5Very high0 Ų029.8 Ų29.80%016%0.16CC..THydrogen-bonded Turntrans-60-20.5178-68.7174.2000112.9F82 T115 L117 R120 P136 I137 E156F82-L84 HydrophobicContact CE2-CD2 3.76Å; F82-L84 HydrophobicContact CZ-CD2 4.05Å; L84-T115 WeakPolarHBondContact CB-O 3.32Å; L84-T115 VanDerWaalsContact CG-O 3.31Å; L84-T115 WeakPolarHBondContact CG-O 3.18Å; L84-T115 PolarHBondContact N-O 3.44Å; L84-L117 HydrophobicContact CD1-CB 3.94Å; L84-L117 HydrophobicContact CD1-CD1 3.72Å; L84-L117 HydrophobicContact CD1-CG 4.46Å; L84-R120 VanDerWaalsContact CD1-NH2 3.32Å; L84-P136 CarbonylContact O-C 3.57Å; L84-P136 WeakPolarHBondContact O-CA 3.44Å; L84-I137 HydrophobicContact CD2-CB 4.2Å; L84-I137 HydrophobicContact CD2-CG2 4.45Å; L84-I137 PolarHBondContact O-N 3.04Å; L84-E156 HydrophobicContact CD1-CB 4.31Å; L84-E156 HydrophobicContact CD1-CG 4.15Å; L84-E156 HydrophobicContact CD2-CG 4.38Å
85V98.5Very high98.6Very high22 Ų2225 Ų2513%0.13315%0.15CC..THydrogen-bonded Turntrans-108.417.7178.4-59.80000113S83 K116 L119 T125 L129 P136S83-V85 PolarHBondContact O-N 2.82Å; S83-V85 WeakPolarHBondContact OG-CG2 3.32Å; S83-V85 PolarHBondContact OG-N 3.35Å; V85-K116 HydrophobicContact CG2-CD 4.42Å; V85-L119 HydrophobicContact CB-CB 4.47Å; V85-L119 HydrophobicContact CG1-CB 3.73Å; V85-L119 WeakPolarHBondContact CG1-O 3.47Å; V85-L119 HydrophobicContact CG2-CB 4.02Å; V85-L119 HydrophobicContact CG2-CD1 3.92Å; V85-T125 HydrophobicContact CB-CG2 3.59Å; V85-T125 HydrophobicContact CG1-CG2 3.52Å; V85-T125 HydrophobicContact CG2-CG2 4.14Å; V85-L129 HydrophobicContact CB-CD1 4.17Å; V85-P136 HydrophobicContact CG1-CB 4.38Å
86S98.5Very high98.6Very high41 Ų4126.2 Ų26.229%0.28716%0.155SC..  trans-131.190.6171178.90000110.2S83 A88 S89 Y90S83-S86 PolarHBondContact O-N 2.65Å; S86-A88 PolarHBondContact O-N 3.42Å; S86-S89 WeakPolarHBondContact CB-OG 3.22Å; S86-S89 PolarHBondContact O-N 2.99Å; S86-S89 PolarHBondContact O-OG 3.3Å; S86-S89 PolarHBondContact OG-N 2.94Å; S86-Y90 PolarHBondContact O-N 3.01Å
87P98.4Very high98.6Very high21 Ų2123.3 Ų23.314%0.13614%0.139CC..Hα-helixtrans-57.2-31.5178.2-29.438.3000114.2S89 Y90 E91 L134 A135 I137P87-S89 VanDerWaalsContact C-N 3.35Å; P87-S89 PolarHBondContact O-N 2.95Å; P87-Y90 WeakPolarHBondContact O-CB 3.47Å; P87-Y90 PolarHBondContact O-N 2.8Å; P87-E91 PolarHBondContact O-N 3.23Å; P87-E91 VanDerWaalsContact O-N 3.12Å; P87-L134 HydrophobicContact CB-CD2 4.4Å; P87-L134 HydrophobicContact CG-CB 4.24Å; P87-L134 HydrophobicContact CG-CD1 4.27Å; P87-L134 HydrophobicContact CG-CD2 4.4Å; P87-A135 WeakPolarHBondContact CG-O 3.07Å; P87-I137 HydrophobicContact CB-CD1 4.18Å; P87-I137 HydrophobicContact CG-CD1 4.32Å
88A98.3Very high98.6Very high62 Ų6226.4 Ų26.451%0.51215%0.151SC..Hα-helixtrans-60.1-44.1173.500000111.9S86 Y90 E91 N92S86-A88 PolarHBondContact O-N 3.42Å; A88-Y90 PolarHBondContact O-N 3.4Å; A88-E91 PolarHBondContact O-N 3.44Å; A88-N92 VanDerWaalsContact O-CG 3.31Å; A88-N92 PolarHBondContact O-N 3.28Å; A88-N92 PolarHBondContact O-ND2 2.76Å
89S98.8Very high98.6Very high0 Ų029.2 Ų29.20%017%0.169CC..Hα-helixtrans-66-28.1178.271.70000113.4D11 F82 S83 S86 P87 V93D11-S89 VanDerWaalsContact OD2-CA 3.24Å; D11-S89 WeakPolarHBondContact OD2-CA 3.47Å; D11-S89 WeakPolarHBondContact OD2-CB 3.4Å; F82-S89 WeakPolarHBondContact CB-O 3.4Å; S83-S89 PolarHBondContact N-OG 3.05Å; S86-S89 WeakPolarHBondContact CB-OG 3.22Å; S86-S89 PolarHBondContact O-N 2.99Å; S86-S89 PolarHBondContact O-OG 3.3Å; S86-S89 PolarHBondContact OG-N 2.94Å; P87-S89 VanDerWaalsContact C-N 3.35Å; P87-S89 PolarHBondContact O-N 2.95Å; S89-V93 PolarHBondContact O-N 3.4Å
90Y98.8Very high98.6Very high12 Ų1230.7 Ų30.75%0.04718%0.176CC..Hα-helixtrans-68.9-43.8173.2167.1-95000111.5F82 S86 P87 A88 V93 R94 I137 Q141 L145F82-Y90 HydrophobicContact CD2-CD2 4.11Å; F82-Y90 HydrophobicContact CD2-CG 4.44Å; F82-Y90 HydrophobicContact CE1-CD2 4.38Å; F82-Y90 AromaticContact CE2-CD2 3.73Å; F82-Y90 HydrophobicContact CE2-CD2 3.73Å; F82-Y90 HydrophobicContact CE2-CG 4.39Å; F82-Y90 AromaticContact CZ-CD2 3.87Å; F82-Y90 HydrophobicContact CZ-CD2 3.87Å; S86-Y90 PolarHBondContact O-N 3.01Å; P87-Y90 WeakPolarHBondContact O-CB 3.47Å; P87-Y90 PolarHBondContact O-N 2.8Å; A88-Y90 PolarHBondContact O-N 3.4Å; Y90-V93 WeakPolarHBondContact O-CB 3.49Å; Y90-V93 PolarHBondContact O-N 3.32Å; Y90-R94 PolarHBondContact OH-NH2 2.54Å; Y90-I137 HydrophobicContact CD1-CD1 3.93Å; Y90-I137 HydrophobicContact CD2-CD1 4.36Å; Y90-I137 HydrophobicContact CD2-CG1 4.33Å; Y90-I137 HydrophobicContact CD2-CG2 3.89Å; Y90-I137 HydrophobicContact CE2-CG2 4.1Å; Y90-I137 HydrophobicContact CG-CD1 3.82Å; Y90-I137 HydrophobicContact CG-CG1 4.07Å; Y90-I137 HydrophobicContact CG-CG2 4.42Å; Y90-Q141 HydrophobicContact CE2-CB 4.39Å; Y90-Q141 PolarHBondContact OH-O 3.2Å; Y90-Q141 VanDerWaalsContact OH-O 3.12Å; Y90-L145 HydrophobicContact CD2-CD2 3.44Å; Y90-L145 VanDerWaalsContact CD2-CD2 3.44Å; Y90-L145 HydrophobicContact CE2-CB 3.64Å; Y90-L145 HydrophobicContact CE2-CD2 3.3Å; Y90-L145 HydrophobicContact CE2-CG 4.09Å; Y90-L145 HydrophobicContact CG-CD2 4.3Å
91E98.6Very high98.5Very high97 Ų9730.7 Ų30.745%0.45318%0.176SC..Hα-helixtrans-68.1-36.3176-63.9-52.8150.900112.6P87 A88 V93 R94 A95P87-E91 PolarHBondContact O-N 3.23Å; P87-E91 VanDerWaalsContact O-N 3.12Å; A88-E91 PolarHBondContact O-N 3.44Å; E91-V93 PolarHBondContact O-N 2.94Å; E91-V93 VanDerWaalsContact O-N 3.13Å; E91-R94 PolarHBondContact O-N 3.02Å; E91-R94 IonicContact OE1-NH1 3.27Å; E91-R94 IonicContact OE2-CZ 2.73Å; E91-R94 IonicContact OE2-NH1 2.89Å; E91-R94 PolarHBondContact OE2-NH1 2.96Å; E91-A95 PolarHBondContact O-N 3.48Å; E91-A95 VanDerWaalsContact O-N 3.13Å
92N98.7Very high98.5Very high58 Ų5833 Ų3331%0.3119%0.185SC..Hα-helixtrans-63.1-19.1177.1-74.1-19.2000113.4D11 A88 R94 K96 W97D11-N92 WeakPolarHBondContact OD1-CB 3.37Å; D11-N92 PolarHBondContact OD1-ND2 3.49Å; D11-N92 PolarHBondContact OD2-ND2 3.42Å; A88-N92 VanDerWaalsContact O-CG 3.31Å; A88-N92 PolarHBondContact O-N 3.28Å; A88-N92 PolarHBondContact O-ND2 2.76Å; N92-R94 VanDerWaalsContact C-N 3.32Å; N92-R94 PolarHBondContact O-N 3.38Å; N92-K96 WeakPolarHBondContact O-CA 3.4Å; N92-K96 WeakPolarHBondContact O-CB 3.38Å; N92-K96 PolarHBondContact O-N 3.01Å; N92-W97 VanDerWaalsContact O-CD1 3.29Å; N92-W97 PolarHBondContact O-N 2.85Å; N92-W97 VanDerWaalsContact O-N 3.11Å
93V98.8Very high98.4Very high0 Ų040.3 Ų40.30%022%0.219CC..Iπ-helixtrans-57.5-48.3169.4175.10000110.5I80 F82 S89 Y90 E91 W97 Y98 L112 L145 I149I80-V93 HydrophobicContact CG2-CB 4.49Å; I80-V93 HydrophobicContact CG2-CG1 3.97Å; I80-V93 HydrophobicContact CG2-CG2 4.02Å; F82-V93 HydrophobicContact CB-CG2 3.99Å; F82-V93 HydrophobicContact CD1-CG2 4.2Å; F82-V93 HydrophobicContact CG-CG2 4.39Å; S89-V93 PolarHBondContact O-N 3.4Å; Y90-V93 WeakPolarHBondContact O-CB 3.49Å; Y90-V93 PolarHBondContact O-N 3.32Å; E91-V93 PolarHBondContact O-N 2.94Å; E91-V93 VanDerWaalsContact O-N 3.13Å; V93-W97 PolarHBondContact O-N 3.39Å; V93-Y98 WeakPolarHBondContact O-CB 3.22Å; V93-Y98 PolarHBondContact O-N 3.4Å; V93-L112 HydrophobicContact CG1-CD1 3.95Å; V93-L112 HydrophobicContact CG2-CD1 4.21Å; V93-L145 HydrophobicContact CB-CD1 4.4Å; V93-L145 HydrophobicContact CB-CD2 3.84Å; V93-L145 HydrophobicContact CG1-CD1 4.05Å; V93-L145 HydrophobicContact CG1-CD2 3.89Å; V93-L145 HydrophobicContact CG1-CG 4.22Å; V93-L145 HydrophobicContact CG2-CD2 4.11Å; V93-I149 HydrophobicContact CG1-CD1 3.9Å; V93-I149 HydrophobicContact CG1-CG2 4.44Å
94R98.3Very high98.4Very high59 Ų5944.1 Ų44.122%0.22324%0.236CC..Iπ-helixtrans-72.3-43.4178.8-61.9177.4-179.687.314.7111.9Y90 E91 N92 P99 L145 E148Y90-R94 PolarHBondContact OH-NH2 2.54Å; E91-R94 PolarHBondContact O-N 3.02Å; E91-R94 IonicContact OE1-NH1 3.27Å; E91-R94 IonicContact OE2-CZ 2.73Å; E91-R94 IonicContact OE2-NH1 2.89Å; E91-R94 PolarHBondContact OE2-NH1 2.96Å; N92-R94 VanDerWaalsContact C-N 3.32Å; N92-R94 PolarHBondContact O-N 3.38Å; R94-P99 WeakPolarHBondContact O-CD 3.21Å; R94-P99 WeakPolarHBondContact O-CG 3.25Å; R94-L145 HydrophobicContact CG-CD1 3.49Å; R94-L145 VanDerWaalsContact CG-CD1 3.49Å; R94-E148 WeakPolarHBondContact CD-OE1 3.33Å; R94-E148 IonicContact CZ-OE2 3.44Å; R94-E148 VanDerWaalsContact CZ-OE2 3.27Å; R94-E148 IonicContact NE-OE1 3.13Å; R94-E148 PolarHBondContact NE-OE1 3.15Å; R94-E148 IonicContact NE-OE2 2.65Å; R94-E148 PolarHBondContact NE-OE2 3.45Å; R94-E148 IonicContact NH2-OE2 2.62Å; R94-E148 PolarHBondContact NH2-OE2 2.9Å
95A98Very high98.3Very high77 Ų7744.7 Ų44.764%0.63624%0.24SC*.Iπ-helixtrans-75.8-29.7-170.700000113.1E91E91-A95 PolarHBondContact O-N 3.48Å; E91-A95 VanDerWaalsContact O-N 3.13Å
96K97.9Very high98.2Very high36 Ų3648 Ų4816%0.15726%0.262CS..Iπ-helixtrans-131.5-64-170.6178.5172.6179.6160.10113.2D65 N92 Y98 P99 E100D65-K96 VanDerWaalsContact CG-NZ 3.26Å; D65-K96 WeakPolarHBondContact OD1-CE 3.41Å; D65-K96 IonicContact OD1-NZ 3.95Å; D65-K96 PolarHBondContact OD1-NZ 2.62Å; D65-K96 IonicContact OD2-NZ 2.96Å; D65-K96 PolarHBondContact OD2-NZ 3.13Å; N92-K96 WeakPolarHBondContact O-CA 3.4Å; N92-K96 WeakPolarHBondContact O-CB 3.38Å; N92-K96 PolarHBondContact O-N 3.01Å; K96-Y98 PolarHBondContact O-N 2.91Å; K96-P99 WeakPolarHBondContact O-CD 3.5Å; K96-E100 VanDerWaalsContact O-CB 3.27Å; K96-E100 WeakPolarHBondContact O-CB 2.83Å; K96-E100 PolarHBondContact O-N 2.78Å
97W98.6Very high98Very high1 Ų151.6 Ų51.60%0.00429%0.287CS..Iπ-helixtrans-68.2-44-163.6-60.4110.9000113.7V9 G10 D11 R68 I80 N92 V93 V101V9-W97 HydrophobicContact CB-CE3 3.83Å; V9-W97 HydrophobicContact CB-CZ3 4.12Å; V9-W97 HydrophobicContact CG2-CE3 4.16Å; G10-W97 WeakPolarHBondContact O-CH2 3.28Å; G10-W97 WeakPolarHBondContact O-CZ2 3.4Å; D11-W97 PolarHBondContact OD1-NE1 2.68Å; R68-W97 VanDerWaalsContact CZ-CH2 3.42Å; R68-W97 VanDerWaalsContact NH1-CZ3 3.27Å; I80-W97 HydrophobicContact CD1-CB 4.44Å; I80-W97 HydrophobicContact CG2-CB 3.74Å; I80-W97 HydrophobicContact CG2-CG 4.4Å; N92-W97 VanDerWaalsContact O-CD1 3.29Å; N92-W97 PolarHBondContact O-N 2.85Å; N92-W97 VanDerWaalsContact O-N 3.11Å; V93-W97 PolarHBondContact O-N 3.39Å; W97-V101 WeakPolarHBondContact O-CB 3.34Å; W97-V101 VanDerWaalsContact O-CG2 3.32Å; W97-V101 WeakPolarHBondContact O-CG2 3.46Å; W97-V101 PolarHBondContact O-N 3.29Å
98Y98.6Very high98Very high65 Ų6551.6 Ų51.626%0.25529%0.287SS..Hα-helixtrans-65.7-50.3177.2168.8-108.2000112.3V93 K96 E100 V101 R102 I110 I149V93-Y98 WeakPolarHBondContact O-CB 3.22Å; V93-Y98 PolarHBondContact O-N 3.4Å; K96-Y98 PolarHBondContact O-N 2.91Å; Y98-E100 VanDerWaalsContact C-N 3.32Å; Y98-E100 PolarHBondContact O-N 2.69Å; Y98-V101 PolarHBondContact O-N 2.8Å; Y98-R102 HydrophobicContact CD2-CG 3.76Å; Y98-R102 HydrophobicContact CE1-CG 4.35Å; Y98-R102 HydrophobicContact CE2-CG 3.3Å; Y98-R102 HydrophobicContact CG-CG 4.48Å; Y98-R102 WeakPolarHBondContact O-CB 3.46Å; Y98-R102 WeakPolarHBondContact O-CG 3.49Å; Y98-R102 PolarHBondContact O-N 2.95Å; Y98-I110 HydrophobicContact CD2-CD1 3.94Å; Y98-I110 HydrophobicContact CE2-CD1 4.24Å; Y98-I149 HydrophobicContact CD1-CB 4.2Å; Y98-I149 HydrophobicContact CD1-CG2 3.99Å; Y98-I149 HydrophobicContact CD2-CB 3.59Å; Y98-I149 HydrophobicContact CD2-CG1 4.48Å; Y98-I149 HydrophobicContact CD2-CG2 4.14Å; Y98-I149 HydrophobicContact CE1-CB 4.42Å; Y98-I149 HydrophobicContact CE2-CB 3.8Å; Y98-I149 WeakPolarHBondContact CE2-O 3.49Å; Y98-I149 HydrophobicContact CG-CB 3.77Å; Y98-I149 HydrophobicContact CG-CG2 3.77Å
99P98.4Very high97.9Very high58 Ų5850.1 Ų50.138%0.37727%0.272SS..Hα-helixtrans-54.9-43.6173.6-27.934.3000113.8R94 K96 R102 H103R94-P99 WeakPolarHBondContact O-CD 3.21Å; R94-P99 WeakPolarHBondContact O-CG 3.25Å; K96-P99 WeakPolarHBondContact O-CD 3.5Å; P99-R102 PolarHBondContact O-N 2.87Å; P99-H103 VanDerWaalsContact O-CB 3.29Å; P99-H103 WeakPolarHBondContact O-CB 3.38Å; P99-H103 PolarHBondContact O-N 3.1Å
100E98.4Very high97.9Very high31 Ų3150.1 Ų50.115%0.14527%0.272CS..Hα-helixtrans-62.7-50179.7-174.8175.811700111.8R68 Y72 K96 Y98 R102 H103 H104R68-E100 WeakPolarHBondContact CD-OE1 3.1Å; R68-E100 IonicContact CZ-OE1 3.84Å; R68-E100 IonicContact NE-OE1 3.85Å; R68-E100 VanDerWaalsContact NH1-CD 3.35Å; R68-E100 IonicContact NH1-OE1 2.76Å; R68-E100 PolarHBondContact NH1-OE1 3.15Å; R68-E100 IonicContact NH1-OE2 3.25Å; R68-E100 PolarHBondContact NH1-OE2 3.18Å; R68-E100 VanDerWaalsContact NH1-OE2 3.13Å; Y72-E100 HydrophobicContact CE2-CG 4.3Å; Y72-E100 PolarHBondContact OH-OE1 2.68Å; K96-E100 VanDerWaalsContact O-CB 3.27Å; K96-E100 WeakPolarHBondContact O-CB 2.83Å; K96-E100 PolarHBondContact O-N 2.78Å; Y98-E100 VanDerWaalsContact C-N 3.32Å; Y98-E100 PolarHBondContact O-N 2.69Å; E100-R102 VanDerWaalsContact C-N 3.33Å; E100-R102 PolarHBondContact O-N 2.87Å; E100-H103 PolarHBondContact O-N 3.13Å; E100-H104 PolarHBondContact O-CD2 2.97Å; E100-H104 PolarHBondContact O-N 3.21Å
101V98.3Very high97.9Very high0 Ų049.6 Ų49.60%027%0.27CS..Hα-helixtrans-60.5-43.9176.8170.20000110.8V9 F78 I80 W97 Y98 H103 H104 C105 I110V9-V101 HydrophobicContact CG2-CG2 3.92Å; F78-V101 HydrophobicContact CB-CG1 4.3Å; F78-V101 HydrophobicContact CD1-CG1 4.21Å; F78-V101 HydrophobicContact CD1-CG2 3.93Å; F78-V101 HydrophobicContact CD2-CG1 3.64Å; F78-V101 HydrophobicContact CE1-CG1 4.46Å; F78-V101 HydrophobicContact CE1-CG2 4.19Å; F78-V101 HydrophobicContact CE2-CG1 3.96Å; F78-V101 HydrophobicContact CG-CG1 3.79Å; F78-V101 HydrophobicContact CG-CG2 4.25Å; F78-V101 HydrophobicContact CZ-CG1 4.35Å; I80-V101 HydrophobicContact CD1-CG2 4.2Å; I80-V101 HydrophobicContact CG1-CG2 4.44Å; W97-V101 WeakPolarHBondContact O-CB 3.34Å; W97-V101 VanDerWaalsContact O-CG2 3.32Å; W97-V101 WeakPolarHBondContact O-CG2 3.46Å; W97-V101 PolarHBondContact O-N 3.29Å; Y98-V101 PolarHBondContact O-N 2.8Å; V101-H103 PolarHBondContact O-N 2.93Å; V101-H104 PolarHBondContact O-N 3.27Å; V101-C105 CarbonylContact O-C 3.39Å; V101-C105 WeakPolarHBondContact O-CA 3.49Å; V101-C105 WeakPolarHBondContact O-CB 3.19Å; V101-C105 PolarHBondContact O-N 3.25Å; V101-I110 HydrophobicContact CB-CD1 4.44Å; V101-I110 HydrophobicContact CG1-CD1 3.77Å; V101-I110 HydrophobicContact CG1-CG1 4.12Å
102R97.8Very high97.9Very high50 Ų5045 Ų4519%0.18925%0.248CC..Hα-helixtrans-70.3-30.5-180-72.4-66.7178.9-125.41.5113.5Y98 P99 E100 P106 T108Y98-R102 HydrophobicContact CD2-CG 3.76Å; Y98-R102 HydrophobicContact CE1-CG 4.35Å; Y98-R102 HydrophobicContact CE2-CG 3.3Å; Y98-R102 HydrophobicContact CG-CG 4.48Å; Y98-R102 WeakPolarHBondContact O-CB 3.46Å; Y98-R102 WeakPolarHBondContact O-CG 3.49Å; Y98-R102 PolarHBondContact O-N 2.95Å; P99-R102 PolarHBondContact O-N 2.87Å; E100-R102 VanDerWaalsContact C-N 3.33Å; E100-R102 PolarHBondContact O-N 2.87Å; R102-P106 WeakPolarHBondContact O-CA 3.43Å; R102-T108 PolarHBondContact NH1-O 2.98Å
103H97.6Very high98Very high152 Ų15242.2 Ų42.270%0.70423%0.233SC*.Hα-helixtrans-63.4-44.5174.9178.569.6000111.6P99 E100 V101P99-H103 VanDerWaalsContact O-CB 3.29Å; P99-H103 WeakPolarHBondContact O-CB 3.38Å; P99-H103 PolarHBondContact O-N 3.1Å; E100-H103 PolarHBondContact O-N 3.13Å; V101-H103 PolarHBondContact O-N 2.93Å
104H97.6Very high98Very high84 Ų8442.2 Ų42.239%0.38923%0.233SC..Hα-helixtrans-89.9-29.7-177.5-71.5-72.8000114.3Y72 E100 V101Y72-H104 HydrophobicContact CD2-CB 3.64Å; Y72-H104 AromaticContact CD2-CD2 3.96Å; Y72-H104 AromaticContact CD2-CG 3.87Å; Y72-H104 HydrophobicContact CE2-CB 4.32Å; Y72-H104 AromaticContact CE2-CD2 3.96Å; E100-H104 PolarHBondContact O-CD2 2.97Å; E100-H104 PolarHBondContact O-N 3.21Å; V101-H104 PolarHBondContact O-N 3.27Å
105C97.2Very high98Very high13 Ų1339.6 Ų39.69%0.08822%0.224CC..  trans-139.373.3-171.4-69.70000110.2F78 V101 S107 T108F78-C105 HydrophobicContact CE2-CB 3.58Å; F78-C105 HydrophobicContact CZ-CB 4.12Å; V101-C105 CarbonylContact O-C 3.39Å; V101-C105 WeakPolarHBondContact O-CA 3.49Å; V101-C105 WeakPolarHBondContact O-CB 3.19Å; V101-C105 PolarHBondContact O-N 3.25Å; C105-S107 VanDerWaalsContact C-N 3.28Å; C105-S107 PolarHBondContact O-N 3.2Å; C105-T108 PolarHBondContact O-N 3.48Å
106P96.2Very high98Very high91 Ų9139.1 Ų39.159%0.59121%0.208SC*.THydrogen-bonded Turntrans-65-27.9-167.724-34.7000114.2R102R102-P106 WeakPolarHBondContact O-CA 3.43Å
107S94.6Very high98Very high116 Ų11638.2 Ų38.281%0.81120%0.204SC*.THydrogen-bonded Turntrans-110.5-5.1-174.3-540000114.3C105C105-S107 VanDerWaalsContact C-N 3.28Å; C105-S107 PolarHBondContact O-N 3.2Å
108T97.7Very high98Very high22 Ų2240.5 Ų40.514%0.13522%0.217CC..SBendtrans-70.5132.5-176.8-55.50000110.2T75 D76 F78 R102 C105T75-T108 HydrophobicContact CG2-CG2 4.18Å; T75-T108 VanDerWaalsContact O-CG2 3.23Å; T75-T108 WeakPolarHBondContact O-CG2 3.34Å; T75-T108 PolarHBondContact O-OG1 2.94Å; D76-T108 WeakPolarHBondContact O-CG2 3.48Å; F78-T108 HydrophobicContact CD2-CG2 3.51Å; F78-T108 HydrophobicContact CE2-CG2 3.74Å; R102-T108 PolarHBondContact NH1-O 2.98Å; C105-T108 PolarHBondContact O-N 3.48Å
109P98.1Very high98Very high31 Ų3139.1 Ų39.120%0.20121%0.214CC..  trans-61.2145.5178.424.4-34.2000111.7D76 V77 F78 V152 A175D76-P109 VanDerWaalsContact O-CD 3.22Å; D76-P109 WeakPolarHBondContact O-CD 3.17Å; D76-P109 WeakPolarHBondContact O-CG 3.22Å; V77-P109 HydrophobicContact CB-CG 4.21Å; V77-P109 HydrophobicContact CG2-CG 4.25Å; F78-P109 PolarHBondContact N-O 2.96Å; P109-V152 HydrophobicContact CB-CG2 3.73Å; P109-A175 HydrophobicContact CB-CB 4.17Å; P109-A175 HydrophobicContact CG-CB 4.47Å
110I98.7Very high98Very high0 Ų038.2 Ų38.20%020%0.203CC..EExtended strand (participates in β ladder)trans-120.3132.6179-64.5175.9000108.6F78 I80 Y98 V101 I149 A151 V152F78-I110 HydrophobicContact CB-CG1 4.28Å; F78-I110 WeakPolarHBondContact O-CA 3.45Å; I80-I110 HydrophobicContact CB-CG2 4.38Å; I80-I110 HydrophobicContact CD1-CD1 3.97Å; I80-I110 HydrophobicContact CD1-CG2 3.76Å; I80-I110 HydrophobicContact CG1-CG2 3.84Å; Y98-I110 HydrophobicContact CD2-CD1 3.94Å; Y98-I110 HydrophobicContact CE2-CD1 4.24Å; V101-I110 HydrophobicContact CB-CD1 4.44Å; V101-I110 HydrophobicContact CG1-CD1 3.77Å; V101-I110 HydrophobicContact CG1-CG1 4.12Å; I110-I149 HydrophobicContact CG2-CD1 4.49Å; I110-A151 HydrophobicContact CG2-CB 4.28Å; I110-A151 CarbonylContact O-C 3.42Å; I110-A151 WeakPolarHBondContact O-CA 3.48Å; I110-V152 PolarHBondContact O-N 3.12Å
111I98.7Very high97.8Very high0 Ų042.9 Ų42.90%023%0.229CC..EExtended strand (participates in β ladder)trans-105.9126.6162.5-53.9-65000107.6V77 F78 L79 I80 V113 V152 K153 L155 A172 A175V77-I111 HydrophobicContact CG2-CG1 4.27Å; F78-I111 PolarHBondContact O-N 2.87Å; L79-I111 WeakPolarHBondContact CA-O 3.47Å; L79-I111 HydrophobicContact CD2-CB 3.65Å; L79-I111 HydrophobicContact CD2-CG1 4.11Å; L79-I111 HydrophobicContact CD2-CG2 4.18Å; I80-I111 PolarHBondContact N-O 2.85Å; I111-V113 HydrophobicContact CG2-CG2 3.96Å; I111-V152 HydrophobicContact CD1-CB 3.95Å; I111-V152 HydrophobicContact CD1-CG1 4.27Å; I111-K153 HydrophobicContact CD1-CB 3.93Å; I111-L155 HydrophobicContact CG2-CD1 4.06Å; I111-A172 HydrophobicContact CG1-CB 4.23Å; I111-A175 HydrophobicContact CD1-CB 4.34Å
112L98.9Very high97.8Very high0 Ų046.5 Ų46.50%025%0.246CC..EExtended strand (participates in β ladder)trans-86.7128.8172.3-177.667.7000109.1I80 F82 V93 L145 A146 I149 A151 K153 Y154 L155I80-L112 HydrophobicContact CB-CD1 4.42Å; I80-L112 HydrophobicContact CG2-CD1 4.37Å; F82-L112 HydrophobicContact CD1-CD1 3.87Å; F82-L112 HydrophobicContact CD1-CG 4.32Å; F82-L112 HydrophobicContact CE1-CD1 3.96Å; F82-L112 HydrophobicContact CE1-CD2 4.11Å; F82-L112 HydrophobicContact CE1-CG 3.92Å; V93-L112 HydrophobicContact CG1-CD1 3.95Å; V93-L112 HydrophobicContact CG2-CD1 4.21Å; L112-L145 HydrophobicContact CD1-CD2 4.26Å; L112-L145 HydrophobicContact CD2-CB 4Å; L112-L145 HydrophobicContact CD2-CD2 3.82Å; L112-L145 HydrophobicContact CD2-CG 3.69Å; L112-A146 HydrophobicContact CB-CB 4.28Å; L112-A146 HydrophobicContact CD2-CB 3.83Å; L112-I149 HydrophobicContact CB-CD1 4.36Å; L112-I149 HydrophobicContact CD1-CD1 4.05Å; L112-I149 HydrophobicContact CD2-CD1 4.45Å; L112-A151 HydrophobicContact CB-CB 4.14Å; L112-K153 PolarHBondContact N-O 3.45Å; L112-Y154 HydrophobicContact CB-CD2 4.09Å; L112-Y154 HydrophobicContact CD2-CD2 3.78Å; L112-Y154 HydrophobicContact CD2-CE2 4.22Å; L112-Y154 HydrophobicContact CG-CD2 3.84Å; L112-Y154 HydrophobicContact CG-CE2 4.26Å; L112-Y154 WeakPolarHBondContact O-CA 3.5Å; L112-Y154 WeakPolarHBondContact O-CD2 3.28Å; L112-L155 PolarHBondContact O-N 3.04Å
113V98.9Very high97.8Very high0 Ų051.4 Ų51.40%027%0.268CS..EExtended strand (participates in β ladder)trans-124.8116.7-174.6-172.90000111.1L79 I80 C81 F82 I111 T115 L155 V168L79-V113 HydrophobicContact CB-CG2 4.28Å; L79-V113 HydrophobicContact CD2-CG2 4.2Å; I80-V113 PolarHBondContact O-N 2.57Å; C81-V113 WeakPolarHBondContact CA-O 3.25Å; F82-V113 PolarHBondContact N-O 3.26Å; I111-V113 HydrophobicContact CG2-CG2 3.96Å; V113-T115 HydrophobicContact CG1-CG2 4.13Å; V113-L155 CarbonylContact C-O 3.51Å; V113-L155 VanDerWaalsContact CA-O 3.32Å; V113-L155 WeakPolarHBondContact CA-O 3.4Å; V113-V168 HydrophobicContact CG1-CG1 4.37Å; V113-V168 HydrophobicContact CG1-CG2 4.06Å; V113-V168 HydrophobicContact CG2-CG1 3.84Å
114G98.9Very high97.8Very high0 Ų049.2 Ų49.20%026%0.258CS..EExtended strand (participates in β ladder)trans-86.3109.7167.700000111F82 L155 E156 C157F82-G114 CarbonylContact O-C 3.44Å; F82-G114 WeakPolarHBondContact O-CA 3.41Å; G114-L155 PolarHBondContact N-O 3.3Å; G114-E156 CarbonylContact O-C 3.52Å; G114-E156 VanDerWaalsContact O-CA 3.22Å; G114-E156 WeakPolarHBondContact O-CA 3.31Å; G114-C157 PolarHBondContact O-N 3.07Å
115T98.8Very high97.7Very high4 Ų446.2 Ų46.23%0.02525%0.246CC..EExtended strand (participates in β ladder)trans-92.7169.4-177.962.20000112.2V14 C81 F82 S83 L84 V113 L117 C157V14-T115 WeakPolarHBondContact O-CB 3.32Å; V14-T115 PolarHBondContact O-OG1 2.55Å; C81-T115 HydrophobicContact CB-CG2 4.15Å; F82-T115 PolarHBondContact O-N 3.25Å; F82-T115 PolarHBondContact O-OG1 2.68Å; S83-T115 WeakPolarHBondContact CA-OG1 3.14Å; L84-T115 WeakPolarHBondContact CB-O 3.32Å; L84-T115 VanDerWaalsContact CG-O 3.31Å; L84-T115 WeakPolarHBondContact CG-O 3.18Å; L84-T115 PolarHBondContact N-O 3.44Å; V113-T115 HydrophobicContact CG1-CG2 4.13Å; T115-L117 VanDerWaalsContact C-N 3.34Å; T115-L117 PolarHBondContact O-N 3.48Å; T115-C157 CarbonylContact C-O 3.55Å; T115-C157 WeakPolarHBondContact CA-O 3.18Å
116K98.3Very high97.7Very high67 Ų6747.6 Ų47.629%0.29125%0.252SS..  trans60.141.1179.1-45.8-166.7-170.9-174.40113.1A13 V14 V85 D118 L119 C157A13-K116 VanDerWaalsContact O-CE 3.22Å; A13-K116 WeakPolarHBondContact O-CE 3.47Å; A13-K116 PolarHBondContact O-NZ 2.77Å; V14-K116 WeakPolarHBondContact O-CE 3.18Å; V85-K116 HydrophobicContact CG2-CD 4.42Å; K116-D118 PolarHBondContact O-N 2.76Å; K116-L119 HydrophobicContact CB-CB 4.49Å; K116-L119 HydrophobicContact CB-CD1 4.01Å; K116-L119 HydrophobicContact CB-CG 4.21Å; K116-L119 HydrophobicContact CD-CD1 3.88Å; K116-L119 PolarHBondContact O-N 2.99Å; K116-C157 PolarHBondContact N-O 3.4Å; K116-C157 VanDerWaalsContact N-O 3.13Å
117L98.6Very high97.8Very high17 Ų1747.6 Ų47.69%0.08924%0.244CC..G310 helixtrans-55.8-32.4178.2178.460.8000113.2L84 T115 L119 R120 E156 C157 R163L84-L117 HydrophobicContact CD1-CB 3.94Å; L84-L117 HydrophobicContact CD1-CD1 3.72Å; L84-L117 HydrophobicContact CD1-CG 4.46Å; T115-L117 VanDerWaalsContact C-N 3.34Å; T115-L117 PolarHBondContact O-N 3.48Å; L117-L119 PolarHBondContact O-N 2.92Å; L117-R120 VanDerWaalsContact CD1-NH1 3.28Å; L117-R120 WeakPolarHBondContact O-CB 3.1Å; L117-R120 PolarHBondContact O-N 3.32Å; L117-E156 HydrophobicContact CD1-CB 4.43Å; L117-E156 WeakPolarHBondContact CD1-OE2 3.25Å; L117-E156 HydrophobicContact CD2-CB 4.27Å; L117-C157 WeakPolarHBondContact CB-O 3.35Å; L117-C157 PolarHBondContact N-O 2.92Å; L117-C157 VanDerWaalsContact N-O 3.1Å; L117-R163 HydrophobicContact CD2-CG 4.34Å
118D97.9Very high97.9Very high49 Ų4947.2 Ų47.226%0.26223%0.228SC..G310 helixtrans-57.7-29.6174.550.1-71.1000113.5K116 S158 T161K116-D118 PolarHBondContact O-N 2.76Å; D118-S158 WeakPolarHBondContact CB-OG 3.12Å; D118-S158 WeakPolarHBondContact OD1-CB 3.39Å; D118-S158 PolarHBondContact OD1-OG 2.85Å; D118-T161 HydrophobicContact CB-CG2 4.06Å
119L98.1Very high97.9Very high37 Ų3746.9 Ų46.919%0.19423%0.225CC..G310 helixtrans-87.6-10.4-177.5-56.3-176.2000113.6V85 K116 L117 D121 E122 T125V85-L119 HydrophobicContact CB-CB 4.47Å; V85-L119 HydrophobicContact CG1-CB 3.73Å; V85-L119 WeakPolarHBondContact CG1-O 3.47Å; V85-L119 HydrophobicContact CG2-CB 4.02Å; V85-L119 HydrophobicContact CG2-CD1 3.92Å; K116-L119 HydrophobicContact CB-CB 4.49Å; K116-L119 HydrophobicContact CB-CD1 4.01Å; K116-L119 HydrophobicContact CB-CG 4.21Å; K116-L119 HydrophobicContact CD-CD1 3.88Å; K116-L119 PolarHBondContact O-N 2.99Å; L117-L119 PolarHBondContact O-N 2.92Å; L119-D121 VanDerWaalsContact C-N 3.29Å; L119-D121 PolarHBondContact O-N 2.77Å; L119-E122 PolarHBondContact O-N 2.85Å; L119-T125 HydrophobicContact CB-CG2 4.34Å
120R97.9Very high97.9Very high38 Ų3852 Ų5214%0.14325%0.245CC..THydrogen-bonded Turntrans-59.5-42.6-176.9174.5-179.1-75.3155.3-5112.1L84 L117 P136 I137 E156L84-R120 VanDerWaalsContact CD1-NH2 3.32Å; L117-R120 VanDerWaalsContact CD1-NH1 3.28Å; L117-R120 WeakPolarHBondContact O-CB 3.1Å; L117-R120 PolarHBondContact O-N 3.32Å; R120-P136 HydrophobicContact CG-CB 4.06Å; R120-I137 PolarHBondContact NE-O 3.35Å; R120-I137 VanDerWaalsContact NE-O 3.09Å; R120-I137 PolarHBondContact NH2-O 3.2Å; R120-E156 IonicContact CZ-OE1 2.68Å; R120-E156 IonicContact CZ-OE2 2.78Å; R120-E156 IonicContact NH1-OE1 2.77Å; R120-E156 PolarHBondContact NH1-OE1 2.89Å; R120-E156 IonicContact NH1-OE2 3.15Å; R120-E156 PolarHBondContact NH1-OE2 2.97Å; R120-E156 IonicContact NH2-OE1 3.73Å; R120-E156 PolarHBondContact NH2-OE1 2.8Å; R120-E156 IonicContact NH2-OE2 2.69Å; R120-E156 PolarHBondContact NH2-OE2 2.89Å
121D95.5Very high97.8Very high130 Ų13059.5 Ų59.570%0.69528%0.28SS*.THydrogen-bonded Turntrans-102.35.8-176.4-58.1-45.4000111.9L119 K123L119-D121 VanDerWaalsContact C-N 3.29Å; L119-D121 PolarHBondContact O-N 2.77Å; D121-K123 PolarHBondContact O-N 2.92Å
122E97.6Very high97.8Very high76 Ų7667.1 Ų67.136%0.35531%0.312SS..  trans-74.5121.7178.9-173.5-165.4-128.700110.5L119 E124 T125 I126L119-E122 PolarHBondContact O-N 2.85Å; E122-E124 PolarHBondContact O-N 2.78Å; E122-T125 PolarHBondContact O-N 3.21Å; E122-T125 VanDerWaalsContact OE2-CB 3.3Å; E122-T125 WeakPolarHBondContact OE2-CB 3.23Å; E122-T125 PolarHBondContact OE2-OG1 3.48Å; E122-I126 WeakPolarHBondContact O-CG1 3.37Å; E122-I126 PolarHBondContact O-N 2.96Å
123K97.5Very high97.7Very high152 Ų15276.6 Ų76.666%0.66135%0.354SS*.Hα-helixtrans-54.4-48.3-174-174.9179.4173.2-1760113D121 T125 I126 E127D121-K123 PolarHBondContact O-N 2.92Å; K123-T125 PolarHBondContact O-N 2.97Å; K123-I126 PolarHBondContact O-N 2.89Å; K123-E127 WeakPolarHBondContact CE-OE1 3.17Å; K123-E127 WeakPolarHBondContact CG-OE1 3.36Å; K123-E127 IonicContact NZ-OE1 2.91Å; K123-E127 WeakPolarHBondContact O-CG 3.07Å; K123-E127 PolarHBondContact O-N 3.11Å
124E97.4Very high97.7Very high106 Ų10680.2 Ų80.250%0.49537%0.373SS..Hα-helixtrans-63.8-42.7-178.3-173.3-178.216200111.6E122 E127 K128E122-E124 PolarHBondContact O-N 2.78Å; E124-E127 PolarHBondContact O-N 2.95Å; E124-K128 HydrophobicContact CG-CD 4.38Å; E124-K128 WeakPolarHBondContact O-CG 3.35Å; E124-K128 PolarHBondContact O-N 2.76Å; E124-K128 WeakPolarHBondContact OE1-CE 3.48Å; E124-K128 IonicContact OE1-NZ 3.96Å; E124-K128 PolarHBondContact OE1-NZ 3.43Å
125T96.9Very high97.6Very high21 Ų2183.1 Ų83.113%0.12940%0.397CS..Hα-helixtrans-64-42175.8-730000112V85 L119 E122 K123 E127 K128 L129V85-T125 HydrophobicContact CB-CG2 3.59Å; V85-T125 HydrophobicContact CG1-CG2 3.52Å; V85-T125 HydrophobicContact CG2-CG2 4.14Å; L119-T125 HydrophobicContact CB-CG2 4.34Å; E122-T125 PolarHBondContact O-N 3.21Å; E122-T125 VanDerWaalsContact OE2-CB 3.3Å; E122-T125 WeakPolarHBondContact OE2-CB 3.23Å; E122-T125 PolarHBondContact OE2-OG1 3.48Å; K123-T125 PolarHBondContact O-N 2.97Å; T125-E127 PolarHBondContact O-N 3.23Å; T125-K128 PolarHBondContact O-N 3.42Å; T125-L129 HydrophobicContact CG2-CD1 4.14Å; T125-L129 WeakPolarHBondContact O-CG 3.22Å; T125-L129 PolarHBondContact O-N 3.33Å
126I97.3Very high97.6Very high42 Ų4284 Ų8422%0.21540%0.402CS..Hα-helixtrans-61.7-44175.9-68.6165.5000110.9E122 K123 L129 K130 P136E122-I126 WeakPolarHBondContact O-CG1 3.37Å; E122-I126 PolarHBondContact O-N 2.96Å; K123-I126 PolarHBondContact O-N 2.89Å; I126-L129 PolarHBondContact O-N 2.98Å; I126-K130 HydrophobicContact CG2-CD 4Å; I126-K130 HydrophobicContact CG2-CG 4.4Å; I126-K130 WeakPolarHBondContact O-CB 3.18Å; I126-K130 VanDerWaalsContact O-CG 3.31Å; I126-K130 WeakPolarHBondContact O-CG 3.43Å; I126-K130 PolarHBondContact O-N 3.15Å; I126-P136 HydrophobicContact CG1-CG 4.15Å
127E97.8Very high97.6Very high91 Ų9181 Ų8143%0.42539%0.39SS..Hα-helixtrans-62.1-48.3178.8-74.7171.117700111.4K123 E124 T125 L129 K130 E131K123-E127 WeakPolarHBondContact CE-OE1 3.17Å; K123-E127 WeakPolarHBondContact CG-OE1 3.36Å; K123-E127 IonicContact NZ-OE1 2.91Å; K123-E127 WeakPolarHBondContact O-CG 3.07Å; K123-E127 PolarHBondContact O-N 3.11Å; E124-E127 PolarHBondContact O-N 2.95Å; T125-E127 PolarHBondContact O-N 3.23Å; E127-L129 VanDerWaalsContact C-N 3.3Å; E127-L129 PolarHBondContact O-N 3.36Å; E127-K130 WeakPolarHBondContact O-CB 3.32Å; E127-K130 PolarHBondContact O-N 2.91Å; E127-K130 VanDerWaalsContact O-N 3.11Å; E127-E131 WeakPolarHBondContact O-CG 3.29Å; E127-E131 PolarHBondContact O-N 3.21Å
128K97.2Very high97.6Very high108 Ų10883.3 Ų83.347%0.4740%0.404SS..Hα-helixtrans-58.7-37.6176-73.4174.4-177168.60113.3E124 T125E124-K128 HydrophobicContact CG-CD 4.38Å; E124-K128 WeakPolarHBondContact O-CG 3.35Å; E124-K128 PolarHBondContact O-N 2.76Å; E124-K128 WeakPolarHBondContact OE1-CE 3.48Å; E124-K128 IonicContact OE1-NZ 3.96Å; E124-K128 PolarHBondContact OE1-NZ 3.43Å; T125-K128 PolarHBondContact O-N 3.42Å
129L97.4Very high97.6Very high15 Ų1586.2 Ų86.28%0.07941%0.412CS..Hα-helixtrans-70.5-41.6175.8-75.6170.6000111.4V85 T125 I126 E127 E131 K132 K133 L134 P136V85-L129 HydrophobicContact CB-CD1 4.17Å; T125-L129 HydrophobicContact CG2-CD1 4.14Å; T125-L129 WeakPolarHBondContact O-CG 3.22Å; T125-L129 PolarHBondContact O-N 3.33Å; I126-L129 PolarHBondContact O-N 2.98Å; E127-L129 VanDerWaalsContact C-N 3.3Å; E127-L129 PolarHBondContact O-N 3.36Å; L129-E131 VanDerWaalsContact C-N 3.33Å; L129-E131 PolarHBondContact O-N 3.42Å; L129-K132 CarbonylContact O-C 3.46Å; L129-K132 WeakPolarHBondContact O-CA 3.4Å; L129-K132 PolarHBondContact O-N 2.86Å; L129-K133 PolarHBondContact O-N 3.43Å; L129-L134 CarbonylContact C-O 3.23Å; L129-L134 VanDerWaalsContact C-O 3.23Å; L129-L134 HydrophobicContact CB-CB 4.26Å; L129-L134 HydrophobicContact CD2-CB 3.97Å; L129-L134 HydrophobicContact CD2-CD1 4.34Å; L129-L134 WeakPolarHBondContact O-CA 3.41Å; L129-L134 PolarHBondContact O-N 3.47Å; L129-P136 HydrophobicContact CD1-CB 4.49Å; L129-P136 HydrophobicContact CD1-CG 3.79Å
130K97.4Very high97.7Very high140 Ų14088.7 Ų88.761%0.60943%0.431SS*.Hα-helixtrans-61.3-38.4177.7-78.3175.4178.1176.60112.7I126 E127 K132 K133 L134I126-K130 HydrophobicContact CG2-CD 4Å; I126-K130 HydrophobicContact CG2-CG 4.4Å; I126-K130 WeakPolarHBondContact O-CB 3.18Å; I126-K130 VanDerWaalsContact O-CG 3.31Å; I126-K130 WeakPolarHBondContact O-CG 3.43Å; I126-K130 PolarHBondContact O-N 3.15Å; E127-K130 WeakPolarHBondContact O-CB 3.32Å; E127-K130 PolarHBondContact O-N 2.91Å; E127-K130 VanDerWaalsContact O-N 3.11Å; K130-K132 PolarHBondContact O-N 3.32Å; K130-K133 WeakPolarHBondContact O-CA 3.47Å; K130-K133 PolarHBondContact O-N 3.02Å; K130-L134 PolarHBondContact N-O 3.28Å
131E97.5Very high97.7Very high157 Ų15790.6 Ų90.673%0.73444%0.441SS*.Hα-helixtrans-55.7-33.6173.3-72.1174-179.500112.2E127 L129 K133E127-E131 WeakPolarHBondContact O-CG 3.29Å; E127-E131 PolarHBondContact O-N 3.21Å; L129-E131 VanDerWaalsContact C-N 3.33Å; L129-E131 PolarHBondContact O-N 3.42Å; E131-K133 VanDerWaalsContact C-N 3.33Å
132K97.2Very high97.9Very high159 Ų15984.4 Ų84.469%0.69141%0.408SS*.THydrogen-bonded Turntrans-90.68.3176.3-60.3-179-177.6-179.70113.5L129 K130 L134L129-K132 CarbonylContact O-C 3.46Å; L129-K132 WeakPolarHBondContact O-CA 3.4Å; L129-K132 PolarHBondContact O-N 2.86Å; K130-K132 PolarHBondContact O-N 3.32Å; K132-L134 HydrophobicContact CB-CD1 4.15Å; K132-L134 HydrophobicContact CB-CG 4.24Å; K132-L134 PolarHBondContact O-N 3.37Å
133K97.8Very high97.9Very high200 Ų20084.7 Ų84.787%0.8741%0.412SS*.THydrogen-bonded Turntrans57.832.4-173.6-53.6178.1-178.81770113.3L129 K130 E131L129-K133 PolarHBondContact O-N 3.43Å; K130-K133 WeakPolarHBondContact O-CA 3.47Å; K130-K133 PolarHBondContact O-N 3.02Å; E131-K133 VanDerWaalsContact C-N 3.33Å
134L97.8Very high98Very high75 Ų7580 Ų8039%0.39340%0.402SS..  trans-113.3165.6178.1-64.9176.8000110.6P87 L129 K130 K132P87-L134 HydrophobicContact CB-CD2 4.4Å; P87-L134 HydrophobicContact CG-CB 4.24Å; P87-L134 HydrophobicContact CG-CD1 4.27Å; P87-L134 HydrophobicContact CG-CD2 4.4Å; L129-L134 CarbonylContact C-O 3.23Å; L129-L134 VanDerWaalsContact C-O 3.23Å; L129-L134 HydrophobicContact CB-CB 4.26Å; L129-L134 HydrophobicContact CD2-CB 3.97Å; L129-L134 HydrophobicContact CD2-CD1 4.34Å; L129-L134 WeakPolarHBondContact O-CA 3.41Å; L129-L134 PolarHBondContact O-N 3.47Å; K130-L134 PolarHBondContact N-O 3.28Å; K132-L134 HydrophobicContact CB-CD1 4.15Å; K132-L134 HydrophobicContact CB-CG 4.24Å; K132-L134 PolarHBondContact O-N 3.37Å
135A98Very high98Very high62 Ų6275 Ų7551%0.51238%0.378SS..  trans-137.5156.1172.900000110.1P87P87-A135 WeakPolarHBondContact CG-O 3.07Å
136P98.5Very high98.1Very high21 Ų2174.3 Ų74.314%0.13638%0.375CS..PPolyproline II helixtrans-55.8146.7170.1-23.933.4000111.9L84 V85 R120 I126 L129 T138L84-P136 CarbonylContact O-C 3.57Å; L84-P136 WeakPolarHBondContact O-CA 3.44Å; V85-P136 HydrophobicContact CG1-CB 4.38Å; R120-P136 HydrophobicContact CG-CB 4.06Å; I126-P136 HydrophobicContact CG1-CG 4.15Å; L129-P136 HydrophobicContact CD1-CB 4.49Å; L129-P136 HydrophobicContact CD1-CG 3.79Å; P136-T138 PolarHBondContact O-N 3.16Å
137I98.7Very high98.2Very high6 Ų680.9 Ų80.93%0.03140%0.402CS..PPolyproline II helixtrans-68.5127.7175.3-56-57.8000109.4F82 L84 P87 Y90 R120 Q141F82-I137 HydrophobicContact CE2-CB 4.05Å; F82-I137 HydrophobicContact CE2-CG1 4.13Å; F82-I137 HydrophobicContact CE2-CG2 3.81Å; F82-I137 HydrophobicContact CZ-CG2 4.2Å; L84-I137 HydrophobicContact CD2-CB 4.2Å; L84-I137 HydrophobicContact CD2-CG2 4.45Å; L84-I137 PolarHBondContact O-N 3.04Å; P87-I137 HydrophobicContact CB-CD1 4.18Å; P87-I137 HydrophobicContact CG-CD1 4.32Å; Y90-I137 HydrophobicContact CD1-CD1 3.93Å; Y90-I137 HydrophobicContact CD2-CD1 4.36Å; Y90-I137 HydrophobicContact CD2-CG1 4.33Å; Y90-I137 HydrophobicContact CD2-CG2 3.89Å; Y90-I137 HydrophobicContact CE2-CG2 4.1Å; Y90-I137 HydrophobicContact CG-CD1 3.82Å; Y90-I137 HydrophobicContact CG-CG1 4.07Å; Y90-I137 HydrophobicContact CG-CG2 4.42Å; R120-I137 PolarHBondContact NE-O 3.35Å; R120-I137 VanDerWaalsContact NE-O 3.09Å; R120-I137 PolarHBondContact NH2-O 3.2Å; I137-Q141 HydrophobicContact CG2-CB 3.88Å
138T98.6Very high98.2Very high64 Ų6481.9 Ų81.939%0.39341%0.407SS..PPolyproline II helixtrans-85.3157.5178.765.20000111.7P136 Q141 G142P136-T138 PolarHBondContact O-N 3.16Å; T138-Q141 WeakPolarHBondContact O-CB 3.23Å; T138-Q141 PolarHBondContact O-N 2.89Å; T138-Q141 VanDerWaalsContact O-N 3.13Å; T138-Q141 WeakPolarHBondContact OG1-CG 3.31Å; T138-Q141 PolarHBondContact OG1-OE1 3.36Å; T138-G142 PolarHBondContact O-N 3.01Å; T138-G142 VanDerWaalsContact O-N 3.17Å
139Y98.6Very high98.2Very high110 Ų11076.9 Ų76.943%0.43139%0.385SS..Hα-helixtrans-56.2-42.9177.1-169.5-94.5000113.2Q141 G142 L143 Y154 E156Y139-Q141 VanDerWaalsContact C-N 3.33Å; Y139-Q141 PolarHBondContact O-N 3.23Å; Y139-G142 PolarHBondContact O-N 3.21Å; Y139-L143 HydrophobicContact CD1-CD1 3.71Å; Y139-L143 HydrophobicContact CD1-CG 3.98Å; Y139-L143 HydrophobicContact CE1-CD1 3.43Å; Y139-L143 VanDerWaalsContact CE1-CD1 3.43Å; Y139-L143 HydrophobicContact CE1-CD2 4.05Å; Y139-L143 HydrophobicContact CE1-CG 3.65Å; Y139-L143 PolarHBondContact O-N 2.91Å; Y139-Y154 HydrophobicContact CD2-CD1 4.24Å; Y139-Y154 AromaticContact CD2-CE1 3.75Å; Y139-Y154 HydrophobicContact CD2-CE1 3.75Å; Y139-Y154 AromaticContact CE2-CD1 3.88Å; Y139-Y154 HydrophobicContact CE2-CD1 3.88Å; Y139-Y154 AromaticContact CE2-CE1 3.83Å; Y139-Y154 HydrophobicContact CE2-CE1 3.83Å; Y139-Y154 HydrophobicContact CG-CE1 4.3Å; Y139-E156 HydrophobicContact CD2-CG 4.25Å; Y139-E156 VanDerWaalsContact CD2-OE1 3.29Å; Y139-E156 WeakPolarHBondContact CD2-OE1 3.43Å; Y139-E156 HydrophobicContact CE2-CG 4.5Å
140P98.8Very high98.1Very high89 Ų8980.9 Ų80.958%0.57841%0.406SS*.Hα-helixtrans-61.4-35.2175.5-25.836.9000114.4L143 A144P140-L143 PolarHBondContact O-N 2.89Å; P140-A144 WeakPolarHBondContact O-CB 3.49Å; P140-A144 PolarHBondContact O-N 2.9Å
141Q98.8Very high98.2Very high78 Ų7875 Ų7536%0.36438%0.384SS..Hα-helixtrans-65.3-44.3175.1-73.3169.1-65.400111.1Y90 I137 T138 Y139 L143 A144 L145Y90-Q141 HydrophobicContact CE2-CB 4.39Å; Y90-Q141 PolarHBondContact OH-O 3.2Å; Y90-Q141 VanDerWaalsContact OH-O 3.12Å; I137-Q141 HydrophobicContact CG2-CB 3.88Å; T138-Q141 WeakPolarHBondContact O-CB 3.23Å; T138-Q141 PolarHBondContact O-N 2.89Å; T138-Q141 VanDerWaalsContact O-N 3.13Å; T138-Q141 WeakPolarHBondContact OG1-CG 3.31Å; T138-Q141 PolarHBondContact OG1-OE1 3.36Å; Y139-Q141 VanDerWaalsContact C-N 3.33Å; Y139-Q141 PolarHBondContact O-N 3.23Å; Q141-L143 PolarHBondContact O-N 3.46Å; Q141-A144 PolarHBondContact O-N 3.39Å; Q141-L145 PolarHBondContact O-N 3.01Å
142G98.7Very high98.2Very high0 Ų071 Ų710%037%0.37CS..Hα-helixtrans-62.2-41.1175.500000113.3T138 Y139 L145 A146 Y154T138-G142 PolarHBondContact O-N 3.01Å; T138-G142 VanDerWaalsContact O-N 3.17Å; Y139-G142 PolarHBondContact O-N 3.21Å; G142-L145 PolarHBondContact O-N 2.65Å; G142-A146 WeakPolarHBondContact O-CB 3.21Å; G142-A146 PolarHBondContact O-N 3.14Å; G142-Y154 VanDerWaalsContact CA-CZ 3.49Å
143L98.6Very high98.2Very high82 Ų8267.3 Ų67.343%0.42935%0.354SS..Hα-helixtrans-61.1-43172.4-77.9177.8000112.6Y139 P140 Q141 A146 K147 Y154Y139-L143 HydrophobicContact CD1-CD1 3.71Å; Y139-L143 HydrophobicContact CD1-CG 3.98Å; Y139-L143 HydrophobicContact CE1-CD1 3.43Å; Y139-L143 VanDerWaalsContact CE1-CD1 3.43Å; Y139-L143 HydrophobicContact CE1-CD2 4.05Å; Y139-L143 HydrophobicContact CE1-CG 3.65Å; Y139-L143 PolarHBondContact O-N 2.91Å; P140-L143 PolarHBondContact O-N 2.89Å; Q141-L143 PolarHBondContact O-N 3.46Å; L143-A146 PolarHBondContact O-N 3.07Å; L143-K147 PolarHBondContact O-N 3.2Å; L143-Y154 HydrophobicContact CD2-CD1 4.09Å; L143-Y154 HydrophobicContact CG-CD1 4.09Å
144A98.7Very high98.2Very high55 Ų5558.1 Ų58.146%0.45531%0.314SS..Hα-helixtrans-62-46.2178.100000111.1P140 Q141 K147 E148P140-A144 WeakPolarHBondContact O-CB 3.49Å; P140-A144 PolarHBondContact O-N 2.9Å; Q141-A144 PolarHBondContact O-N 3.39Å; A144-K147 PolarHBondContact O-N 3.34Å; A144-E148 WeakPolarHBondContact O-CB 3.46Å; A144-E148 PolarHBondContact O-N 2.66Å
145L98.7Very high98.3Very high0 Ų055.5 Ų55.50%030%0.3CS..Hα-helixtrans-61.4-43.8175.6175.659.3000112Y90 V93 R94 L112 Q141 G142 K147 E148 I149Y90-L145 HydrophobicContact CD2-CD2 3.44Å; Y90-L145 VanDerWaalsContact CD2-CD2 3.44Å; Y90-L145 HydrophobicContact CE2-CB 3.64Å; Y90-L145 HydrophobicContact CE2-CD2 3.3Å; Y90-L145 HydrophobicContact CE2-CG 4.09Å; Y90-L145 HydrophobicContact CG-CD2 4.3Å; V93-L145 HydrophobicContact CB-CD1 4.4Å; V93-L145 HydrophobicContact CB-CD2 3.84Å; V93-L145 HydrophobicContact CG1-CD1 4.05Å; V93-L145 HydrophobicContact CG1-CD2 3.89Å; V93-L145 HydrophobicContact CG1-CG 4.22Å; V93-L145 HydrophobicContact CG2-CD2 4.11Å; R94-L145 HydrophobicContact CG-CD1 3.49Å; R94-L145 VanDerWaalsContact CG-CD1 3.49Å; L112-L145 HydrophobicContact CD1-CD2 4.26Å; L112-L145 HydrophobicContact CD2-CB 4Å; L112-L145 HydrophobicContact CD2-CD2 3.82Å; L112-L145 HydrophobicContact CD2-CG 3.69Å; Q141-L145 PolarHBondContact O-N 3.01Å; G142-L145 PolarHBondContact O-N 2.65Å; L145-K147 VanDerWaalsContact C-N 3.29Å; L145-K147 PolarHBondContact O-N 2.98Å; L145-E148 WeakPolarHBondContact O-CB 3.42Å; L145-E148 PolarHBondContact O-N 3.07Å; L145-E148 VanDerWaalsContact O-N 3.12Å; L145-I149 HydrophobicContact CD1-CG2 3.85Å; L145-I149 WeakPolarHBondContact O-CG1 3.32Å; L145-I149 PolarHBondContact O-N 3.37Å
146A98.6Very high98.3Very high7 Ų753.9 Ų53.96%0.05828%0.282CS..Hα-helixtrans-59.9-40.1177.700000112.5L112 G142 L143 D150 A151 Y154L112-A146 HydrophobicContact CB-CB 4.28Å; L112-A146 HydrophobicContact CD2-CB 3.83Å; G142-A146 WeakPolarHBondContact O-CB 3.21Å; G142-A146 PolarHBondContact O-N 3.14Å; L143-A146 PolarHBondContact O-N 3.07Å; A146-D150 PolarHBondContact O-N 3.44Å; A146-A151 HydrophobicContact CB-CB 4.08Å; A146-A151 PolarHBondContact O-N 3.29Å; A146-Y154 HydrophobicContact CB-CG 4.47Å
147K98.3Very high98.3Very high179 Ų17952.9 Ų52.978%0.77828%0.275SS*.Hα-helixtrans-65.3-40174.7-176.2-179.5177.8-176.30111.9L143 A144 L145 D150L143-K147 PolarHBondContact O-N 3.2Å; A144-K147 PolarHBondContact O-N 3.34Å; L145-K147 VanDerWaalsContact C-N 3.29Å; L145-K147 PolarHBondContact O-N 2.98Å; K147-D150 PolarHBondContact O-N 3.08Å
148E97.8Very high98.3Very high113 Ų11352.6 Ų52.653%0.52827%0.274SS..Hα-helixtrans-64.3-41.3-179.6-172.3-175.9159.100112.5R94 A144 L145 D150R94-E148 WeakPolarHBondContact CD-OE1 3.33Å; R94-E148 IonicContact CZ-OE2 3.44Å; R94-E148 VanDerWaalsContact CZ-OE2 3.27Å; R94-E148 IonicContact NE-OE1 3.13Å; R94-E148 PolarHBondContact NE-OE1 3.15Å; R94-E148 IonicContact NE-OE2 2.65Å; R94-E148 PolarHBondContact NE-OE2 3.45Å; R94-E148 IonicContact NH2-OE2 2.62Å; R94-E148 PolarHBondContact NH2-OE2 2.9Å; A144-E148 WeakPolarHBondContact O-CB 3.46Å; A144-E148 PolarHBondContact O-N 2.66Å; L145-E148 WeakPolarHBondContact O-CB 3.42Å; L145-E148 PolarHBondContact O-N 3.07Å; L145-E148 VanDerWaalsContact O-N 3.12Å; E148-D150 VanDerWaalsContact C-N 3.31Å
149I97.7Very high98.2Very high2 Ų250 Ų501%0.0126%0.26CS..THydrogen-bonded Turntrans-89.96.8179.873.2176.6000113.7V93 Y98 I110 L112 L145 A151V93-I149 HydrophobicContact CG1-CD1 3.9Å; V93-I149 HydrophobicContact CG1-CG2 4.44Å; Y98-I149 HydrophobicContact CD1-CB 4.2Å; Y98-I149 HydrophobicContact CD1-CG2 3.99Å; Y98-I149 HydrophobicContact CD2-CB 3.59Å; Y98-I149 HydrophobicContact CD2-CG1 4.48Å; Y98-I149 HydrophobicContact CD2-CG2 4.14Å; Y98-I149 HydrophobicContact CE1-CB 4.42Å; Y98-I149 HydrophobicContact CE2-CB 3.8Å; Y98-I149 WeakPolarHBondContact CE2-O 3.49Å; Y98-I149 HydrophobicContact CG-CB 3.77Å; Y98-I149 HydrophobicContact CG-CG2 3.77Å; I110-I149 HydrophobicContact CG2-CD1 4.49Å; L112-I149 HydrophobicContact CB-CD1 4.36Å; L112-I149 HydrophobicContact CD1-CD1 4.05Å; L112-I149 HydrophobicContact CD2-CD1 4.45Å; L145-I149 HydrophobicContact CD1-CG2 3.85Å; L145-I149 WeakPolarHBondContact O-CG1 3.32Å; L145-I149 PolarHBondContact O-N 3.37Å; I149-A151 HydrophobicContact CD1-CB 4.17Å; I149-A151 HydrophobicContact CG1-CB 3.89Å; I149-A151 PolarHBondContact O-N 3.21Å
150D96.4Very high98.1Very high100 Ų10049.2 Ų49.254%0.53526%0.262SS..THydrogen-bonded Turntrans50.843-175.2-158.836.2000112.4A146 K147 E148A146-D150 PolarHBondContact O-N 3.44Å; K147-D150 PolarHBondContact O-N 3.08Å; E148-D150 VanDerWaalsContact C-N 3.31Å
151A98.1Very high98Very high16 Ų1649 Ų4913%0.13226%0.259CS..  trans-70142.3172.200000109.9I110 L112 A146 I149 K153I110-A151 HydrophobicContact CG2-CB 4.28Å; I110-A151 CarbonylContact O-C 3.42Å; I110-A151 WeakPolarHBondContact O-CA 3.48Å; L112-A151 HydrophobicContact CB-CB 4.14Å; A146-A151 HydrophobicContact CB-CB 4.08Å; A146-A151 PolarHBondContact O-N 3.29Å; I149-A151 HydrophobicContact CD1-CB 4.17Å; I149-A151 HydrophobicContact CG1-CB 3.89Å; I149-A151 PolarHBondContact O-N 3.21Å; A151-K153 PolarHBondContact O-N 3.04Å
152V97.5Very high97.8Very high74 Ų7449.2 Ų49.245%0.44826%0.26SS..SBendtrans-61.6-37.5176.9176.30000110.4P109 I110 I111 A175P109-V152 HydrophobicContact CB-CG2 3.73Å; I110-V152 PolarHBondContact O-N 3.12Å; I111-V152 HydrophobicContact CD1-CB 3.95Å; I111-V152 HydrophobicContact CD1-CG1 4.27Å; V152-A175 HydrophobicContact CG1-CB 4.05Å; V152-A175 HydrophobicContact CG2-CB 4.49Å
153K97.9Very high97.8Very high80 Ų8057.2 Ų57.235%0.34829%0.29SS..EExtended strand (participates in β ladder)trans-154.2154.3178.2-146164.4-168.5172.90112I111 L112 A151 L155 E171I111-K153 HydrophobicContact CD1-CB 3.93Å; L112-K153 PolarHBondContact N-O 3.45Å; A151-K153 PolarHBondContact O-N 3.04Å; K153-L155 HydrophobicContact CD-CD1 4.49Å; K153-L155 HydrophobicContact CD-CD2 4.16Å; K153-L155 HydrophobicContact CD-CG 4.41Å; K153-L155 HydrophobicContact CG-CD2 4.34Å; K153-L155 HydrophobicContact CG-CG 4.32Å; K153-E171 HydrophobicContact CD-CB 4.27Å; K153-E171 HydrophobicContact CD-CG 3.93Å; K153-E171 WeakPolarHBondContact CD-OE2 3.33Å; K153-E171 IonicContact NZ-OE1 3.53Å; K153-E171 PolarHBondContact NZ-OE1 2.71Å; K153-E171 VanDerWaalsContact NZ-OE1 3.15Å; K153-E171 IonicContact NZ-OE2 2.85Å; K153-E171 PolarHBondContact NZ-OE2 2.78Å
154Y98.8Very high97.7Very high7 Ų754.6 Ų54.63%0.02728%0.283CS..EExtended strand (participates in β ladder)trans-106.7130.2163.4178.9-127.9000109.8F82 L112 Y139 G142 L143 A146 E156F82-Y154 AromaticContact CE1-CE2 3.82Å; F82-Y154 HydrophobicContact CE1-CE2 3.82Å; F82-Y154 AromaticContact CZ-CE2 3.91Å; F82-Y154 HydrophobicContact CZ-CE2 3.91Å; L112-Y154 HydrophobicContact CB-CD2 4.09Å; L112-Y154 HydrophobicContact CD2-CD2 3.78Å; L112-Y154 HydrophobicContact CD2-CE2 4.22Å; L112-Y154 HydrophobicContact CG-CD2 3.84Å; L112-Y154 HydrophobicContact CG-CE2 4.26Å; L112-Y154 WeakPolarHBondContact O-CA 3.5Å; L112-Y154 WeakPolarHBondContact O-CD2 3.28Å; Y139-Y154 HydrophobicContact CD2-CD1 4.24Å; Y139-Y154 AromaticContact CD2-CE1 3.75Å; Y139-Y154 HydrophobicContact CD2-CE1 3.75Å; Y139-Y154 AromaticContact CE2-CD1 3.88Å; Y139-Y154 HydrophobicContact CE2-CD1 3.88Å; Y139-Y154 AromaticContact CE2-CE1 3.83Å; Y139-Y154 HydrophobicContact CE2-CE1 3.83Å; Y139-Y154 HydrophobicContact CG-CE1 4.3Å; G142-Y154 VanDerWaalsContact CA-CZ 3.49Å; L143-Y154 HydrophobicContact CD2-CD1 4.09Å; L143-Y154 HydrophobicContact CG-CD1 4.09Å; A146-Y154 HydrophobicContact CB-CG 4.47Å; Y154-E156 HydrophobicContact CE1-CG 3.88Å; Y154-E156 WeakPolarHBondContact CE1-OE1 3.34Å; Y154-E156 HydrophobicContact CE2-CG 4.25Å; Y154-E156 VanDerWaalsContact OH-CG 3.29Å; Y154-E156 WeakPolarHBondContact OH-CG 3.34Å; Y154-E156 PolarHBondContact OH-OE1 3.28Å
155L98.8Very high97.6Very high21 Ų2152.3 Ų52.311%0.1126%0.263CS..EExtended strand (participates in β ladder)trans-136.1152.8177.4-63169.2000110I111 L112 V113 G114 K153 T167 V168 E171I111-L155 HydrophobicContact CG2-CD1 4.06Å; L112-L155 PolarHBondContact O-N 3.04Å; V113-L155 CarbonylContact C-O 3.51Å; V113-L155 VanDerWaalsContact CA-O 3.32Å; V113-L155 WeakPolarHBondContact CA-O 3.4Å; G114-L155 PolarHBondContact N-O 3.3Å; K153-L155 HydrophobicContact CD-CD1 4.49Å; K153-L155 HydrophobicContact CD-CD2 4.16Å; K153-L155 HydrophobicContact CD-CG 4.41Å; K153-L155 HydrophobicContact CG-CD2 4.34Å; K153-L155 HydrophobicContact CG-CG 4.32Å; L155-T167 HydrophobicContact CD2-CG2 4.11Å; L155-V168 HydrophobicContact CB-CG2 3.96Å; L155-V168 HydrophobicContact CD1-CG2 4.28Å; L155-E171 HydrophobicContact CD1-CB 3.68Å; L155-E171 HydrophobicContact CD1-CG 3.83Å
156E98.8Very high97.5Very high27 Ų2758 Ų5813%0.12629%0.288CS..EExtended strand (participates in β ladder)trans-123.7144.7175-65.9176.5175.600110L84 G114 L117 R120 Y139 Y154L84-E156 HydrophobicContact CD1-CB 4.31Å; L84-E156 HydrophobicContact CD1-CG 4.15Å; L84-E156 HydrophobicContact CD2-CG 4.38Å; G114-E156 CarbonylContact O-C 3.52Å; G114-E156 VanDerWaalsContact O-CA 3.22Å; G114-E156 WeakPolarHBondContact O-CA 3.31Å; L117-E156 HydrophobicContact CD1-CB 4.43Å; L117-E156 WeakPolarHBondContact CD1-OE2 3.25Å; L117-E156 HydrophobicContact CD2-CB 4.27Å; R120-E156 IonicContact CZ-OE1 2.68Å; R120-E156 IonicContact CZ-OE2 2.78Å; R120-E156 IonicContact NH1-OE1 2.77Å; R120-E156 PolarHBondContact NH1-OE1 2.89Å; R120-E156 IonicContact NH1-OE2 3.15Å; R120-E156 PolarHBondContact NH1-OE2 2.97Å; R120-E156 IonicContact NH2-OE1 3.73Å; R120-E156 PolarHBondContact NH2-OE1 2.8Å; R120-E156 IonicContact NH2-OE2 2.69Å; R120-E156 PolarHBondContact NH2-OE2 2.89Å; Y139-E156 HydrophobicContact CD2-CG 4.25Å; Y139-E156 VanDerWaalsContact CD2-OE1 3.29Å; Y139-E156 WeakPolarHBondContact CD2-OE1 3.43Å; Y139-E156 HydrophobicContact CE2-CG 4.5Å; Y154-E156 HydrophobicContact CE1-CG 3.88Å; Y154-E156 WeakPolarHBondContact CE1-OE1 3.34Å; Y154-E156 HydrophobicContact CE2-CG 4.25Å; Y154-E156 VanDerWaalsContact OH-CG 3.29Å; Y154-E156 WeakPolarHBondContact OH-CG 3.34Å; Y154-E156 PolarHBondContact OH-OE1 3.28Å
157C98.6Very high97.4Very high0 Ų060.8 Ų60.80%030%0.304CS..  trans-151161.7179.963.70000112.9L19 G114 T115 K116 L117 R163 V168L19-C157 WeakPolarHBondContact CD1-SG 3.48Å; G114-C157 PolarHBondContact O-N 3.07Å; T115-C157 CarbonylContact C-O 3.55Å; T115-C157 WeakPolarHBondContact CA-O 3.18Å; K116-C157 PolarHBondContact N-O 3.4Å; K116-C157 VanDerWaalsContact N-O 3.13Å; L117-C157 WeakPolarHBondContact CB-O 3.35Å; L117-C157 PolarHBondContact N-O 2.92Å; L117-C157 VanDerWaalsContact N-O 3.1Å; C157-R163 CarbonylContact C-O 3.58Å; C157-R163 WeakPolarHBondContact CA-O 3.02Å; C157-R163 VanDerWaalsContact CB-O 3.32Å; C157-R163 WeakPolarHBondContact CB-O 3.26Å; C157-V168 HydrophobicContact CB-CG2 4.11Å
158S98.3Very high97.5Very high0 Ų052.3 Ų52.30%027%0.267CS..  trans-121.4119167.8168.20000107.8D118 L160 T161 Q162 R163D118-S158 WeakPolarHBondContact CB-OG 3.12Å; D118-S158 WeakPolarHBondContact OD1-CB 3.39Å; D118-S158 PolarHBondContact OD1-OG 2.85Å; S158-L160 VanDerWaalsContact C-N 3.26Å; S158-L160 PolarHBondContact OG-N 3.25Å; S158-T161 WeakPolarHBondContact CB-OG1 3.49Å; S158-T161 PolarHBondContact OG-N 2.83Å; S158-T161 PolarHBondContact OG-OG1 3.25Å; S158-Q162 CarbonylContact O-C 3.58Å; S158-Q162 WeakPolarHBondContact O-CA 3.44Å; S158-Q162 PolarHBondContact O-N 2.63Å; S158-R163 PolarHBondContact N-O 3Å; S158-R163 PolarHBondContact O-N 2.96Å
159A96.8Very high97.4Very high11 Ų1146.9 Ų46.99%0.09124%0.242CC..THydrogen-bonded Turntrans-68.5-30.6171.600000111.2C18 S22 F28C18-A159 HydrophobicContact CB-CB 3.96Å; S22-A159 PolarHBondContact OG-O 3.32Å; F28-A159 HydrophobicContact CD2-CB 4.02Å; F28-A159 HydrophobicContact CE2-CB 3.94Å
160L95.4Very high97.4Very high92 Ų9247.7 Ų47.748%0.48225%0.246SC..THydrogen-bonded Turntrans-66.8-50-180179.162.5000111.8F28 S158F28-L160 HydrophobicContact CB-CD1 4.25Å; F28-L160 HydrophobicContact CD1-CD1 3.87Å; F28-L160 VanDerWaalsContact CD2-CA 3.44Å; F28-L160 HydrophobicContact CD2-CB 4.07Å; F28-L160 HydrophobicContact CD2-CD1 4.27Å; F28-L160 HydrophobicContact CE1-CD1 4.27Å; F28-L160 HydrophobicContact CE2-CB 4.1Å; F28-L160 HydrophobicContact CG-CD1 3.86Å; S158-L160 VanDerWaalsContact C-N 3.26Å; S158-L160 PolarHBondContact OG-N 3.25Å
161T96.1Very high97.5Very high84 Ų8444.4 Ų44.452%0.51523%0.228SC..THydrogen-bonded Turntrans-93.1-3-178.565.10000113D118 S158 R163D118-T161 HydrophobicContact CB-CG2 4.06Å; S158-T161 WeakPolarHBondContact CB-OG1 3.49Å; S158-T161 PolarHBondContact OG-N 2.83Å; S158-T161 PolarHBondContact OG-OG1 3.25Å; T161-R163 PolarHBondContact O-N 2.74Å; T161-R163 WeakPolarHBondContact OG1-CB 3.03Å
162Q95.6Very high97.5Very high84 Ų8443.7 Ų43.739%0.39322%0.221SC..  trans60.34.8-173.6-53.8176.623.600114.8N26 S158 G164 L165N26-Q162 PolarHBondContact O-NE2 3.36Å; S158-Q162 CarbonylContact O-C 3.58Å; S158-Q162 WeakPolarHBondContact O-CA 3.44Å; S158-Q162 PolarHBondContact O-N 2.63Å; Q162-G164 PolarHBondContact O-N 2.9Å; Q162-L165 WeakPolarHBondContact O-CB 3.28Å; Q162-L165 PolarHBondContact O-N 3.1Å
163R98.1Very high97.5Very high168 Ų16840.1 Ų40.163%0.63420%0.2SC*.THydrogen-bonded Turntrans-60.7126.4177.8-175.1178.4176.6-167.6-0.5110.2L117 C157 S158 T161 L165L117-R163 HydrophobicContact CD2-CG 4.34Å; C157-R163 CarbonylContact C-O 3.58Å; C157-R163 WeakPolarHBondContact CA-O 3.02Å; C157-R163 VanDerWaalsContact CB-O 3.32Å; C157-R163 WeakPolarHBondContact CB-O 3.26Å; S158-R163 PolarHBondContact N-O 3Å; S158-R163 PolarHBondContact O-N 2.96Å; T161-R163 PolarHBondContact O-N 2.74Å; T161-R163 WeakPolarHBondContact OG1-CB 3.03Å; R163-L165 PolarHBondContact O-N 3.34Å
164G97.7Very high97.4Very high26 Ų2639.6 Ų39.627%0.26820%0.196SC..THydrogen-bonded Turntrans75.6-6.2177.200000115.2Q162 T167 V168Q162-G164 PolarHBondContact O-N 2.9Å; G164-T167 WeakPolarHBondContact O-CB 3.35Å; G164-T167 PolarHBondContact O-N 2.92Å; G164-V168 PolarHBondContact O-N 2.87Å; G164-V168 VanDerWaalsContact O-N 3.16Å
165L96Very high97.3Very high7 Ų739.9 Ų39.94%0.03720%0.2CC..Hα-helixtrans-62.5-51.5-171.8-170.662.7000112.4L19 S22 Y23 Q162 R163 T167 V168 F169L19-L165 HydrophobicContact CD1-CD1 3.25Å; L19-L165 HydrophobicContact CG-CD1 3.84Å; S22-L165 VanDerWaalsContact OG-CD2 3.25Å; S22-L165 WeakPolarHBondContact OG-CD2 3.35Å; Y23-L165 HydrophobicContact CD2-CG 4.44Å; Q162-L165 WeakPolarHBondContact O-CB 3.28Å; Q162-L165 PolarHBondContact O-N 3.1Å; R163-L165 PolarHBondContact O-N 3.34Å; L165-T167 VanDerWaalsContact C-N 3.28Å; L165-T167 PolarHBondContact O-N 2.74Å; L165-V168 WeakPolarHBondContact O-CB 3.34Å; L165-V168 PolarHBondContact O-N 2.89Å; L165-F169 HydrophobicContact CD1-CE2 3.88Å; L165-F169 HydrophobicContact CG-CE2 4.32Å; L165-F169 VanDerWaalsContact O-CD2 3.28Å; L165-F169 WeakPolarHBondContact O-CD2 3.42Å
166K95.9Very high97.1Very high120 Ų12040.3 Ų40.352%0.52220%0.203SC..Hα-helixtrans-57.2-42.4176.6-171.2-171.9-174.1-52.40111.9V168 F169 D170K166-V168 VanDerWaalsContact C-N 3.3Å; K166-V168 PolarHBondContact O-N 3.4Å; K166-F169 PolarHBondContact O-N 2.93Å; K166-D170 IonicContact NZ-OD1 2.83Å; K166-D170 PolarHBondContact NZ-OD1 3.22Å; K166-D170 IonicContact NZ-OD2 2.63Å; K166-D170 PolarHBondContact NZ-OD2 3.19Å; K166-D170 WeakPolarHBondContact O-CB 3.41Å; K166-D170 PolarHBondContact O-N 2.84Å
167T97.9Very high96.8Very high66 Ų6640.2 Ų40.241%0.40520%0.204SC..Hα-helixtrans-61.6-37.4-179-50.20000111.9L155 G164 L165 F169 E171L155-T167 HydrophobicContact CD2-CG2 4.11Å; G164-T167 WeakPolarHBondContact O-CB 3.35Å; G164-T167 PolarHBondContact O-N 2.92Å; L165-T167 VanDerWaalsContact C-N 3.28Å; L165-T167 PolarHBondContact O-N 2.74Å; T167-F169 PolarHBondContact O-N 2.74Å; T167-E171 HydrophobicContact CG2-CG 4.14Å; T167-E171 WeakPolarHBondContact O-CB 3.46Å; T167-E171 WeakPolarHBondContact O-CG 3.45Å; T167-E171 PolarHBondContact O-N 3.45Å
168V98.5Very high96.3Very high0 Ų043.9 Ų43.90%023%0.228CC..Hα-helixtrans-56.6-50.3175.8170.90000111.2L79 V113 L155 C157 G164 L165 K166 A172L79-V168 HydrophobicContact CD1-CG1 3.81Å; L79-V168 HydrophobicContact CD2-CG1 4.18Å; V113-V168 HydrophobicContact CG1-CG1 4.37Å; V113-V168 HydrophobicContact CG1-CG2 4.06Å; V113-V168 HydrophobicContact CG2-CG1 3.84Å; L155-V168 HydrophobicContact CB-CG2 3.96Å; L155-V168 HydrophobicContact CD1-CG2 4.28Å; C157-V168 HydrophobicContact CB-CG2 4.11Å; G164-V168 PolarHBondContact O-N 2.87Å; G164-V168 VanDerWaalsContact O-N 3.16Å; L165-V168 WeakPolarHBondContact O-CB 3.34Å; L165-V168 PolarHBondContact O-N 2.89Å; K166-V168 VanDerWaalsContact C-N 3.3Å; K166-V168 PolarHBondContact O-N 3.4Å; V168-A172 WeakPolarHBondContact O-CB 3.27Å; V168-A172 PolarHBondContact O-N 3.16Å
169F97.7Very high95.4Very high0 Ų048.5 Ų48.50%026%0.258CS..Hα-helixtrans-77.2-35.8-176.6-64-77.5000113.1L19 L20 Y23 L53 L55 L79 L165 K166 T167 E171 A172 I173L19-F169 HydrophobicContact CD2-CE2 4.49Å; L19-F169 HydrophobicContact CD2-CZ 3.98Å; L19-F169 HydrophobicContact CG-CE2 4.13Å; L19-F169 HydrophobicContact CG-CZ 3.93Å; L20-F169 HydrophobicContact CD2-CE1 3.87Å; L20-F169 HydrophobicContact CD2-CZ 3.85Å; Y23-F169 VanDerWaalsContact CB-CE2 3.42Å; Y23-F169 HydrophobicContact CD1-CD1 4.27Å; Y23-F169 AromaticContact CD1-CD2 3.81Å; Y23-F169 HydrophobicContact CD1-CD2 3.81Å; Y23-F169 HydrophobicContact CD1-CE1 4.34Å; Y23-F169 AromaticContact CD1-CE2 3.91Å; Y23-F169 HydrophobicContact CD1-CE2 3.91Å; Y23-F169 AromaticContact CD1-CG 3.99Å; Y23-F169 HydrophobicContact CD1-CG 3.99Å; Y23-F169 HydrophobicContact CD1-CZ 4.16Å; Y23-F169 HydrophobicContact CD2-CB 4.31Å; Y23-F169 AromaticContact CD2-CD2 3.22Å; Y23-F169 HydrophobicContact CD2-CD2 3.22Å; Y23-F169 AromaticContact CD2-CE2 3.7Å; Y23-F169 HydrophobicContact CD2-CE2 3.7Å; Y23-F169 AromaticContact CD2-CG 3.93Å; Y23-F169 HydrophobicContact CD2-CG 3.93Å; Y23-F169 HydrophobicContact CE1-CB 4.12Å; Y23-F169 HydrophobicContact CE1-CD1 4.21Å; Y23-F169 HydrophobicContact CE1-CD2 4.07Å; Y23-F169 AromaticContact CE1-CG 3.85Å; Y23-F169 HydrophobicContact CE1-CG 3.85Å; Y23-F169 HydrophobicContact CE2-CB 3.67Å; Y23-F169 AromaticContact CE2-CD2 3.51Å; Y23-F169 HydrophobicContact CE2-CD2 3.51Å; Y23-F169 HydrophobicContact CE2-CE2 4.39Å; Y23-F169 AromaticContact CE2-CG 3.77Å; Y23-F169 HydrophobicContact CE2-CG 3.77Å; Y23-F169 AromaticContact CG-CD2 3.35Å; Y23-F169 HydrophobicContact CG-CD2 3.35Å; Y23-F169 AromaticContact CG-CE2 3.39Å; Y23-F169 HydrophobicContact CG-CE2 3.39Å; Y23-F169 HydrophobicContact CG-CG 4Å; Y23-F169 HydrophobicContact CG-CZ 4.04Å; Y23-F169 AromaticContact CZ-CD2 3.91Å; Y23-F169 AromaticContact CZ-CG 3.71Å; L53-F169 HydrophobicContact CD2-CB 4.19Å; L53-F169 HydrophobicContact CD2-CD1 3.88Å; L53-F169 HydrophobicContact CD2-CG 4.39Å; L55-F169 HydrophobicContact CD2-CD1 3.9Å; L55-F169 HydrophobicContact CD2-CE1 3.55Å; L79-F169 HydrophobicContact CD1-CD1 4.42Å; L79-F169 HydrophobicContact CD1-CE1 3.9Å; L79-F169 HydrophobicContact CD1-CZ 4.39Å; L165-F169 HydrophobicContact CD1-CE2 3.88Å; L165-F169 HydrophobicContact CG-CE2 4.32Å; L165-F169 VanDerWaalsContact O-CD2 3.28Å; L165-F169 WeakPolarHBondContact O-CD2 3.42Å; K166-F169 PolarHBondContact O-N 2.93Å; T167-F169 PolarHBondContact O-N 2.74Å; F169-E171 VanDerWaalsContact C-N 3.3Å; F169-E171 PolarHBondContact O-N 2.88Å; F169-A172 PolarHBondContact O-N 3.21Å; F169-I173 WeakPolarHBondContact O-CB 3.37Å; F169-I173 WeakPolarHBondContact O-CG1 3.21Å; F169-I173 PolarHBondContact O-N 3.11Å
170D97.3Very high94.1Very high18 Ų1855.5 Ų55.510%0.09629%0.289CS..Hα-helixtrans-57.9-44.9172.4-76.31.7000110.9K166 I173 R174K166-D170 IonicContact NZ-OD1 2.83Å; K166-D170 PolarHBondContact NZ-OD1 3.22Å; K166-D170 IonicContact NZ-OD2 2.63Å; K166-D170 PolarHBondContact NZ-OD2 3.19Å; K166-D170 WeakPolarHBondContact O-CB 3.41Å; K166-D170 PolarHBondContact O-N 2.84Å; D170-I173 PolarHBondContact O-N 2.9Å; D170-R174 WeakPolarHBondContact O-CG 3.5Å; D170-R174 PolarHBondContact O-N 2.88Å
171E97.9Very high92.4Very high32 Ų3256.8 Ų56.815%0.1530%0.303CS..Hα-helixtrans-72.9-33.6-179.7-67.8-66.6147.600112.8K153 L155 T167 F169 I173 R174 A175K153-E171 HydrophobicContact CD-CB 4.27Å; K153-E171 HydrophobicContact CD-CG 3.93Å; K153-E171 WeakPolarHBondContact CD-OE2 3.33Å; K153-E171 IonicContact NZ-OE1 3.53Å; K153-E171 PolarHBondContact NZ-OE1 2.71Å; K153-E171 VanDerWaalsContact NZ-OE1 3.15Å; K153-E171 IonicContact NZ-OE2 2.85Å; K153-E171 PolarHBondContact NZ-OE2 2.78Å; L155-E171 HydrophobicContact CD1-CB 3.68Å; L155-E171 HydrophobicContact CD1-CG 3.83Å; T167-E171 HydrophobicContact CG2-CG 4.14Å; T167-E171 WeakPolarHBondContact O-CB 3.46Å; T167-E171 WeakPolarHBondContact O-CG 3.45Å; T167-E171 PolarHBondContact O-N 3.45Å; F169-E171 VanDerWaalsContact C-N 3.3Å; F169-E171 PolarHBondContact O-N 2.88Å; E171-I173 VanDerWaalsContact C-N 3.35Å; E171-R174 PolarHBondContact O-N 2.87Å; E171-R174 IonicContact OE1-CZ 3.9Å; E171-R174 IonicContact OE1-NH1 2.89Å; E171-R174 PolarHBondContact OE1-NH1 3.45Å; E171-A175 WeakPolarHBondContact O-CB 3.36Å; E171-A175 PolarHBondContact O-N 2.88Å
172A97.8Very high90.6Very high0 Ų057.1 Ų57.10%031%0.314CS..Hα-helixtrans-62.1-43.4171.200000111.4V77 L79 I111 V168 F169 A175V77-A172 HydrophobicContact CG1-CB 4.13Å; V77-A172 HydrophobicContact CG2-CB 4.15Å; L79-A172 HydrophobicContact CD2-CB 3.96Å; I111-A172 HydrophobicContact CG1-CB 4.23Å; V168-A172 WeakPolarHBondContact O-CB 3.27Å; V168-A172 PolarHBondContact O-N 3.16Å; F169-A172 PolarHBondContact O-N 3.21Å; A172-A175 PolarHBondContact O-N 3.24Å
173I97.1Very high88.8Confident0 Ų061.6 Ų61.60%033%0.332CS..Hα-helixtrans-63.8-46.9174.3-71.5166.9000110.6I4 V44 V46 V51 L53 F169 D170 E171 A175 V176 L177I4-I173 HydrophobicContact CD1-CB 4.39Å; I4-I173 HydrophobicContact CD1-CG1 4.33Å; I4-I173 HydrophobicContact CD1-CG2 3.93Å; V44-I173 HydrophobicContact CG2-CD1 3.54Å; V46-I173 HydrophobicContact CB-CG2 3.84Å; V46-I173 HydrophobicContact CG1-CB 4.42Å; V46-I173 HydrophobicContact CG1-CG2 3.93Å; V46-I173 HydrophobicContact CG2-CB 4.24Å; V46-I173 HydrophobicContact CG2-CD1 3.59Å; V46-I173 HydrophobicContact CG2-CG2 3.97Å; V51-I173 HydrophobicContact CG1-CD1 4.13Å; V51-I173 HydrophobicContact CG1-CG1 4.29Å; V51-I173 HydrophobicContact CG1-CG2 4.42Å; V51-I173 HydrophobicContact CG2-CG2 3.97Å; L53-I173 HydrophobicContact CB-CD1 4.4Å; L53-I173 HydrophobicContact CD1-CD1 4.46Å; L53-I173 HydrophobicContact CD1-CG1 4.11Å; L53-I173 HydrophobicContact CD2-CD1 4.04Å; L53-I173 HydrophobicContact CD2-CG1 4.41Å; F169-I173 WeakPolarHBondContact O-CB 3.37Å; F169-I173 WeakPolarHBondContact O-CG1 3.21Å; F169-I173 PolarHBondContact O-N 3.11Å; D170-I173 PolarHBondContact O-N 2.9Å; E171-I173 VanDerWaalsContact C-N 3.35Å; I173-A175 VanDerWaalsContact C-N 3.28Å; I173-A175 PolarHBondContact O-N 3.05Å; I173-V176 PolarHBondContact O-N 2.9Å; I173-L177 HydrophobicContact CG2-CD1 3.55Å; I173-L177 HydrophobicContact CG2-CG 3.95Å; I173-L177 WeakPolarHBondContact O-CG 3.24Å; I173-L177 PolarHBondContact O-N 3.22Å
174R96.5Very high86.5Confident68 Ų6859.9 Ų59.926%0.25734%0.34SS..Hα-helixtrans-59.5-36.9177.8-76.6-179.9-173.5120.111.5112.8V46 D47 D170 E171 V176 L177 C178V46-R174 HydrophobicContact CG1-CG 4.09Å; D47-R174 IonicContact OD1-CZ 3.25Å; D47-R174 IonicContact OD1-NE 3.47Å; D47-R174 PolarHBondContact OD1-NE 2.86Å; D47-R174 IonicContact OD1-NH2 2.68Å; D47-R174 PolarHBondContact OD1-NH2 2.94Å; D47-R174 WeakPolarHBondContact OD2-CG 3.48Å; D47-R174 IonicContact OD2-CZ 3.49Å; D47-R174 IonicContact OD2-NE 3.28Å; D47-R174 PolarHBondContact OD2-NE 3.36Å; D47-R174 IonicContact OD2-NH2 2.8Å; D170-R174 WeakPolarHBondContact O-CG 3.5Å; D170-R174 PolarHBondContact O-N 2.88Å; E171-R174 PolarHBondContact O-N 2.87Å; E171-R174 IonicContact OE1-CZ 3.9Å; E171-R174 IonicContact OE1-NH1 2.89Å; E171-R174 PolarHBondContact OE1-NH1 3.45Å; R174-V176 PolarHBondContact O-N 2.86Å; R174-L177 PolarHBondContact O-N 2.87Å; R174-C178 WeakPolarHBondContact O-CA 3.48Å; R174-C178 WeakPolarHBondContact O-CB 3.47Å; R174-C178 PolarHBondContact O-N 2.9Å
175A96.1Very high84.3Confident14 Ų1467.7 Ų67.712%0.11637%0.367CS..Hα-helixtrans-60-27.8177.300000112.9P109 I111 V152 E171 A172 I173P109-A175 HydrophobicContact CB-CB 4.17Å; P109-A175 HydrophobicContact CG-CB 4.47Å; I111-A175 HydrophobicContact CD1-CB 4.34Å; V152-A175 HydrophobicContact CG1-CB 4.05Å; V152-A175 HydrophobicContact CG2-CB 4.49Å; E171-A175 WeakPolarHBondContact O-CB 3.36Å; E171-A175 PolarHBondContact O-N 2.88Å; A172-A175 PolarHBondContact O-N 3.24Å; I173-A175 VanDerWaalsContact C-N 3.28Å; I173-A175 PolarHBondContact O-N 3.05Å
176V95.5Very high81.8Confident30 Ų3077 Ų7718%0.18241%0.407CS..Hα-helixtrans-88.7-43.4176.4-178.10000111.5I4 D76 V77 I173 R174I4-V176 HydrophobicContact CD1-CB 4.06Å; I4-V176 HydrophobicContact CD1-CG1 4.09Å; I4-V176 HydrophobicContact CG1-CG1 4.27Å; I4-V176 HydrophobicContact CG2-CG2 4.1Å; D76-V176 HydrophobicContact CB-CG1 4.07Å; D76-V176 HydrophobicContact CB-CG2 3.88Å; D76-V176 WeakPolarHBondContact O-CG2 3.4Å; V77-V176 HydrophobicContact CB-CG2 3.82Å; V77-V176 HydrophobicContact CG1-CG2 4.1Å; I173-V176 PolarHBondContact O-N 2.9Å; R174-V176 PolarHBondContact O-N 2.86Å
177L92.8Very high79.6Confident25 Ų2577.5 Ų77.513%0.13142%0.42CS..Hα-helixtrans-74.4-28.7-176-64.1-174.5000113.8Q2 I4 K49 V51 I173 R174Q2-L177 VanDerWaalsContact CD-CD2 3.42Å; Q2-L177 HydrophobicContact CG-CD2 4.49Å; I4-L177 HydrophobicContact CD1-CD2 4.05Å; I4-L177 HydrophobicContact CD1-CG 4.22Å; K49-L177 HydrophobicContact CB-CD1 4.46Å; K49-L177 HydrophobicContact CD-CD1 4.05Å; V51-L177 HydrophobicContact CG2-CD1 4.09Å; I173-L177 HydrophobicContact CG2-CD1 3.55Å; I173-L177 HydrophobicContact CG2-CG 3.95Å; I173-L177 WeakPolarHBondContact O-CG 3.24Å; I173-L177 PolarHBondContact O-N 3.22Å; R174-L177 PolarHBondContact O-N 2.87Å
178C88.1Confident77.2Confident76 Ų7679.7 Ų79.751%0.51444%0.439SS..SBendtrans-13266.9-175.4-63.30000109.4R174 Q180R174-C178 WeakPolarHBondContact O-CA 3.48Å; R174-C178 WeakPolarHBondContact O-CB 3.47Å; R174-C178 PolarHBondContact O-N 2.9Å; C178-Q180 PolarHBondContact O-N 3.31Å
179P78.5Confident74.6Confident97 Ų9785.1 Ų85.163%0.6348%0.475SS*.PPolyproline II helixtrans-61.3128.7-176.924.5-32.4000110
180Q69.3Low72.5Confident159 Ų15989.8 Ų89.874%0.74351%0.508SS*.PPolyproline II helixtrans-66.3144.5173.1-66.8-142.4-5.200109.8C178 A182C178-Q180 PolarHBondContact O-N 3.31Å; Q180-A182 PolarHBondContact O-N 2.68Å
181P60.3Low70Confident119 Ų11997.7 Ų97.777%0.77355%0.546SS*.PPolyproline II helixtrans-54.9126.7174.5-15.124.1000109.3K183P181-K183 PolarHBondContact O-N 2.81Å
182A58.6Low67.6Low91 Ų91107.5 Ų107.575%0.75260%0.599SS**PPolyproline II helixtrans-55.6126.517800000109.5Q180 V184Q180-A182 PolarHBondContact O-N 2.68Å; A182-V184 PolarHBondContact O-N 3.24Å
183K57.3Low66.1Low177 Ų177112.9 Ų112.977%0.7763%0.629SS**  trans-63.3107.1171.7-70.5177.7-175.6163.20107.5P181 K185P181-K183 PolarHBondContact O-N 2.81Å; K183-K185 PolarHBondContact O-N 3.18Å
184V50.2Low64.4Low133 Ų133118.8 Ų118.881%0.80666%0.662SS**  trans-58.4108.9173.7-179.60000107.7A182 K186A182-V184 PolarHBondContact O-N 3.24Å; V184-K186 PolarHBondContact O-N 3.5Å
185K52.1Low62.7Low190 Ų190121.7 Ų121.783%0.82668%0.684SS**  trans-64.1109.2169.2-75.7-176.6178.2178.40106.6K183 T187K183-K185 PolarHBondContact O-N 3.18Å; K185-T187 PolarHBondContact O-N 2.9Å
186K43.3Very low60.7Low201 Ų201128 Ų12887%0.87472%0.718SS**  trans-60.6104.1168.6-74.8-176.5176.7-177.70107.3V184 S188V184-K186 PolarHBondContact O-N 3.5Å; K186-S188 PolarHBondContact O-N 3.36Å; K186-S188 VanDerWaalsContact O-N 3.14Å
187T49.1Very low58.5Low131 Ų131134.1 Ų134.180%0.80475%0.751SS**  trans-62.8112.5162.630.10000106.8K185 C189K185-T187 PolarHBondContact O-N 2.9Å; T187-C189 PolarHBondContact O-N 3.47Å
188S46.9Very low56.2Low113 Ų113141.4 Ų141.479%0.7979%0.793SS**  trans-59.9102.3166.2165.70000107.3K186 S190K186-S188 PolarHBondContact O-N 3.36Å; K186-S188 VanDerWaalsContact O-N 3.14Å; S188-S190 PolarHBondContact O-N 2.89Å; S188-S190 VanDerWaalsContact O-N 3.07Å
189C43.6Very low54Low113 Ų113146.1 Ų146.176%0.76481%0.813SS**  trans-68.8100.8171.6-159.90000107.3T187 M191T187-C189 PolarHBondContact O-N 3.47Å; C189-M191 PolarHBondContact O-N 2.91Å
190S54.1Low52.1Low99 Ų99149.8 Ų149.869%0.69283%0.827SS**  trans-78.6100.6163.2490000107.1S188 L192S188-S190 PolarHBondContact O-N 2.89Å; S188-S190 VanDerWaalsContact O-N 3.07Å; S190-L192 PolarHBondContact O-N 2.86Å
191M45.7Very low50.6Low183 Ų183149.1 Ų149.190%0.90183%0.834SS**  trans-65.1118164-69.4-162.9-70.400107.8C189C189-M191 PolarHBondContact O-N 2.91Å
192L46.6Very low49.8Very low239 Ų239151.8 Ų151.8100%1.25184%0.839SS**  trans-95.40159.6-84.6163.8000108S190S190-L192 PolarHBondContact O-N 2.86Å

Retrieved 192 of 192 residues in 125.7 ms (Link to these results)

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