RASN_CAVPO Loading...

GTPase NRas

Ras proteins bind GDP/GTP and possess intrinsic GTPase activity.

AlphaFold DB , UniProt , Accession P12825, Species CAVPO (Cavia porcellus, Guinea pig), Gene NRAS, Length 189 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
1M85.4Confident96.5Very high142 Ų14233.4 Ų33.470%0.717%0.167SC*.  0125.40178.8169.262.200106.9Q43 T50 L52M1-Q43 HydrophobicContact SD-CG 3.85Å; M1-T50 HydrophobicContact CG-CG2 4.5Å; M1-T50 HydrophobicContact SD-CG2 3.86Å; M1-L52 HydrophobicContact CE-CB 4Å; M1-L52 HydrophobicContact SD-CB 4.5Å
2T95.6Very high96.3Very high43 Ų4332.2 Ų32.226%0.26417%0.169SC..EExtended strand (participates in β ladder)trans-71.1134.9-179-49.30000109.8Y4 E49 C51 L52T2-Y4 HydrophobicContact CG2-CE1 4Å; T2-Y4 HydrophobicContact CG2-CE2 3.91Å; T2-E49 PolarHBondContact OG1-OE1 2.79Å; T2-C51 CarbonylContact O-C 3.31Å; T2-C51 VanDerWaalsContact O-CA 3.3Å; T2-C51 WeakPolarHBondContact O-CA 3.41Å; T2-C51 VanDerWaalsContact O-CB 3.29Å; T2-C51 WeakPolarHBondContact O-CB 3.29Å; T2-L52 PolarHBondContact O-N 2.78Å
3E97.9Very high96.2Very high67 Ų6731.7 Ų31.731%0.31318%0.177SC..EExtended strand (participates in β ladder)trans-102.4141171.5-172.7178.5130.200109.4K5 R41 L52 D54 R167E3-K5 WeakPolarHBondContact OE1-CE 3.42Å; E3-R41 IonicContact OE1-NH2 2.9Å; E3-L52 WeakPolarHBondContact CA-O 3.38Å; E3-L52 HydrophobicContact CB-CB 4.5Å; E3-L52 HydrophobicContact CG-CB 4.41Å; E3-L52 HydrophobicContact CG-CD2 4.22Å; E3-L52 HydrophobicContact CG-CG 4.47Å; E3-D54 HydrophobicContact CG-CB 4.22Å; E3-R167 PolarHBondContact O-NH2 3.38Å
4Y98.5Very high96.2Very high6 Ų629.5 Ų29.52%0.02417%0.165CC..EExtended strand (participates in β ladder)trans-125.3117.9175.2-63.2-73.1000109.9T2 L6 C51 L52 L53 D54 E76 V160 I163 R164T2-Y4 HydrophobicContact CG2-CE1 4Å; T2-Y4 HydrophobicContact CG2-CE2 3.91Å; Y4-L6 PolarHBondContact O-N 3.5Å; Y4-C51 HydrophobicContact CD2-CB 3.86Å; Y4-C51 HydrophobicContact CE2-CB 3.61Å; Y4-L52 PolarHBondContact N-O 3.46Å; Y4-L53 HydrophobicContact CD2-CD2 4.41Å; Y4-D54 PolarHBondContact O-N 3.36Å; Y4-E76 WeakPolarHBondContact CA-OE2 3.46Å; Y4-V160 HydrophobicContact CD1-CG1 4.42Å; Y4-V160 HydrophobicContact CD2-CG1 3.77Å; Y4-V160 HydrophobicContact CD2-CG2 4.13Å; Y4-V160 HydrophobicContact CE1-CG1 4.21Å; Y4-V160 HydrophobicContact CE2-CG1 3.52Å; Y4-V160 HydrophobicContact CG-CG1 4.21Å; Y4-V160 HydrophobicContact CG-CG2 4.23Å; Y4-I163 HydrophobicContact CD1-CB 4.29Å; Y4-I163 HydrophobicContact CD1-CD1 4.32Å; Y4-I163 HydrophobicContact CD1-CG2 3.82Å; Y4-I163 HydrophobicContact CE1-CB 4.49Å; Y4-I163 HydrophobicContact CE1-CG2 4.02Å; Y4-R164 HydrophobicContact CE1-CG 4.25Å; Y4-R164 VanDerWaalsContact OH-CG 3.31Å; Y4-R164 WeakPolarHBondContact OH-CG 3.26Å; Y4-R164 PolarHBondContact OH-NE 3.31Å
5K98.3Very high96.3Very high89 Ų8928.6 Ų28.639%0.38717%0.165SC..EExtended strand (participates in β ladder)trans-88.2103.8178-64.4178.8177.9-179.40110.6E3 D54 E76 G77E3-K5 WeakPolarHBondContact OE1-CE 3.42Å; K5-D54 CarbonylContact C-O 3.49Å; K5-D54 WeakPolarHBondContact CA-O 3.28Å; K5-D54 HydrophobicContact CG-CB 4.28Å; K5-E76 HydrophobicContact CB-CG 4.11Å; K5-E76 PolarHBondContact N-OE2 3.02Å; K5-E76 PolarHBondContact O-N 3.39Å; K5-G77 PolarHBondContact O-N 3.14Å
6L98.6Very high96.4Very high1 Ų127.4 Ų27.41%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-102.7138.5-177-47-173.7000109.4Y4 L53 D54 I55 L56 F156 L159 V160 I163Y4-L6 PolarHBondContact O-N 3.5Å; L6-L53 HydrophobicContact CD1-CD1 4.48Å; L6-L53 HydrophobicContact CD1-CD2 4.21Å; L6-D54 PolarHBondContact N-O 3.23Å; L6-I55 HydrophobicContact CB-CG1 4.37Å; L6-I55 HydrophobicContact CD1-CG1 4.38Å; L6-I55 CarbonylContact O-C 3.6Å; L6-I55 WeakPolarHBondContact O-CA 3.45Å; L6-L56 PolarHBondContact O-N 3.04Å; L6-F156 HydrophobicContact CD1-CD1 3.9Å; L6-L159 HydrophobicContact CB-CD2 4.17Å; L6-L159 HydrophobicContact CD1-CD2 4.4Å; L6-L159 HydrophobicContact CD2-CD2 3.86Å; L6-L159 HydrophobicContact CD2-CG 4.15Å; L6-L159 HydrophobicContact CG-CD2 4.36Å; L6-V160 HydrophobicContact CD1-CG2 4.31Å; L6-V160 HydrophobicContact CD2-CG2 4.43Å; L6-I163 HydrophobicContact CD2-CD1 3.39Å
7V98.2Very high96.4Very high2 Ų227.1 Ų27.11%0.01216%0.157CC..EExtended strand (participates in β ladder)trans-121.4129.6175.9-1750000109.3V9 L56 T58 G77 F78 L79V7-V9 HydrophobicContact CG1-CG1 3.84Å; V7-L56 HydrophobicContact CG1-CB 4.48Å; V7-L56 HydrophobicContact CG2-CB 4.23Å; V7-L56 HydrophobicContact CG2-CD2 4.41Å; V7-T58 HydrophobicContact CG1-CG2 3.73Å; V7-G77 PolarHBondContact N-O 3.36Å; V7-F78 HydrophobicContact CB-CD1 3.72Å; V7-F78 HydrophobicContact CB-CE1 3.78Å; V7-F78 HydrophobicContact CG1-CD1 4.24Å; V7-F78 HydrophobicContact CG1-CE1 4.27Å; V7-F78 HydrophobicContact CG2-CD1 4.39Å; V7-F78 HydrophobicContact CG2-CE1 3.98Å; V7-F78 CarbonylContact O-C 3.6Å; V7-F78 VanDerWaalsContact O-CA 3.31Å; V7-F78 WeakPolarHBondContact O-CA 2.84Å; V7-L79 PolarHBondContact O-N 3.4Å
8V98.1Very high96.4Very high0 Ų026.8 Ų26.80%016%0.158CC..EExtended strand (participates in β ladder)trans-99.2113.7178.2-166.90000108.6K16 I55 L56 T58 L79 V81 F156V8-K16 HydrophobicContact CB-CB 4.38Å; V8-K16 HydrophobicContact CG1-CB 3.63Å; V8-K16 HydrophobicContact CG1-CD 4.12Å; V8-K16 HydrophobicContact CG1-CG 3.84Å; V8-I55 HydrophobicContact CG2-CG2 3.87Å; V8-L56 PolarHBondContact N-O 3.27Å; V8-T58 PolarHBondContact O-OG1 3.31Å; V8-T58 VanDerWaalsContact O-OG1 3.1Å; V8-L79 HydrophobicContact CG1-CB 4.27Å; V8-V81 HydrophobicContact CG1-CG2 3.57Å; V8-F156 HydrophobicContact CG2-CE1 3.95Å; V8-F156 HydrophobicContact CG2-CZ 4.18Å
9V97.2Very high96.5Very high5 Ų525.5 Ų25.53%0.0315%0.15CC..EExtended strand (participates in β ladder)trans-119.3159.4-178.2-58.80000111.6V7 K16 F78 L79 V81 Y96 I100V7-V9 HydrophobicContact CG1-CG1 3.84Å; V9-K16 VanDerWaalsContact C-CD 3.47Å; V9-F78 HydrophobicContact CG1-CD1 4.44Å; V9-L79 WeakPolarHBondContact CG2-O 3.43Å; V9-L79 PolarHBondContact N-O 2.97Å; V9-V81 PolarHBondContact O-N 2.87Å; V9-Y96 HydrophobicContact CB-CD1 3.91Å; V9-Y96 HydrophobicContact CB-CE1 4.46Å; V9-Y96 HydrophobicContact CB-CG 4.48Å; V9-Y96 HydrophobicContact CG2-CD1 4.29Å; V9-Y96 HydrophobicContact CG2-CG 4.4Å; V9-I100 HydrophobicContact CG2-CD1 4.08Å
10G97.3Very high96.5Very high0 Ų024.2 Ų24.20%014%0.143CC..  trans142.8166.8-177.200000112.1K16 G60 V81 Y96G10-K16 PolarHBondContact O-NZ 3.43Å; G10-G60 VanDerWaalsContact O-CA 3.27Å; G10-G60 WeakPolarHBondContact O-CA 3.23Å; G10-V81 WeakPolarHBondContact CA-O 3.4Å; G10-Y96 VanDerWaalsContact C-OH 3.22Å; G10-Y96 PolarHBondContact O-OH 3.49Å
11A95.9Very high96.5Very high12 Ų1224.5 Ų24.510%0.09914%0.143CC..SBendtrans-58.9166.8-175.300000113.4V14 K16 Y96A11-V14 HydrophobicContact CB-CG1 3.93Å; A11-V14 VanDerWaalsContact O-CG2 3.27Å; A11-V14 WeakPolarHBondContact O-CG2 3.41Å; A11-K16 PolarHBondContact O-NZ 3.42Å; A11-Y96 WeakPolarHBondContact CA-OH 3.31Å; A11-Y96 PolarHBondContact N-OH 3.46Å
12G94.6Very high97.1Very high19 Ų1918.3 Ų18.320%0.19611%0.113CC..THydrogen-bonded Turntrans-56.2143.417100000111.9V14 G60G12-V14 PolarHBondContact O-N 3.26Å; G12-V14 VanDerWaalsContact O-N 3.11Å; G12-G60 PolarHBondContact N-O 3.18Å
13G94.6Very high97.1Very high26 Ų2616.3 Ų16.327%0.26810%0.1SC..THydrogen-bonded Turntrans69.54.5173.300000117G15 Y32 K117G13-G15 PolarHBondContact O-N 3.02Å; G13-Y32 PolarHBondContact N-OH 3.46Å; G13-Y32 VanDerWaalsContact N-OH 3.09Å; G13-K117 WeakPolarHBondContact O-CE 3.37Å; G13-K117 PolarHBondContact O-NZ 3.28Å
14V97.2Very high97Very high1 Ų114.7 Ų14.71%0.0069%0.094CC..SBendtrans-72.9-16.9178.5-57.60000113.6A11 G12 K16 V81 A83 N116A11-V14 HydrophobicContact CB-CG1 3.93Å; A11-V14 VanDerWaalsContact O-CG2 3.27Å; A11-V14 WeakPolarHBondContact O-CG2 3.41Å; G12-V14 PolarHBondContact O-N 3.26Å; G12-V14 VanDerWaalsContact O-N 3.11Å; V14-K16 HydrophobicContact CG2-CD 4.3Å; V14-K16 HydrophobicContact CG2-CG 3.6Å; V14-V81 HydrophobicContact CB-CG1 4.31Å; V14-V81 HydrophobicContact CG2-CB 4Å; V14-V81 HydrophobicContact CG2-CG1 3.85Å; V14-A83 HydrophobicContact CB-CB 4.37Å; V14-A83 HydrophobicContact CG1-CB 4.48Å; V14-N116 PolarHBondContact O-ND2 3.15Å
15G97.2Very high96.8Very high16 Ų1619.9 Ų19.917%0.16512%0.118CC..SBendtrans98.732.417700000115.2G13 A18 L19G13-G15 PolarHBondContact O-N 3.02Å; G15-A18 PolarHBondContact O-N 3.27Å; G15-L19 WeakPolarHBondContact O-CG 3.42Å; G15-L19 PolarHBondContact O-N 3.36Å
16K97.6Very high96.6Very high10 Ų1019.7 Ų19.74%0.04312%0.121CC..Hα-helixtrans-57.9-55.3175.6-57.2-169.9-59-72.70111.7V8 V9 G10 A11 V14 A18 L19 T20 D57 T58 V81V8-K16 HydrophobicContact CB-CB 4.38Å; V8-K16 HydrophobicContact CG1-CB 3.63Å; V8-K16 HydrophobicContact CG1-CD 4.12Å; V8-K16 HydrophobicContact CG1-CG 3.84Å; V9-K16 VanDerWaalsContact C-CD 3.47Å; G10-K16 PolarHBondContact O-NZ 3.43Å; A11-K16 PolarHBondContact O-NZ 3.42Å; V14-K16 HydrophobicContact CG2-CD 4.3Å; V14-K16 HydrophobicContact CG2-CG 3.6Å; K16-A18 VanDerWaalsContact C-N 3.33Å; K16-A18 PolarHBondContact O-N 3.17Å; K16-L19 WeakPolarHBondContact O-CB 3.48Å; K16-L19 PolarHBondContact O-N 3.42Å; K16-L19 VanDerWaalsContact O-N 3.14Å; K16-T20 PolarHBondContact O-N 3.08Å; K16-T20 PolarHBondContact O-OG1 3.27Å; K16-T20 VanDerWaalsContact O-OG1 3.14Å; K16-D57 VanDerWaalsContact CB-OD1 3.24Å; K16-D57 WeakPolarHBondContact CB-OD1 3.49Å; K16-T58 WeakPolarHBondContact CE-O 3.5Å; K16-T58 PolarHBondContact NZ-O 3.48Å; K16-V81 HydrophobicContact CG-CB 4.25Å; K16-V81 HydrophobicContact CG-CG2 4.38Å
17S96.5Very high96.2Very high22 Ų2224.3 Ų24.315%0.15414%0.143CC..Hα-helixtrans-59.5-42.7176.4-35.80000112L19 T20 I21 T35 D57S17-L19 VanDerWaalsContact C-N 3.35Å; S17-L19 PolarHBondContact O-N 2.93Å; S17-T20 PolarHBondContact O-N 3.37Å; S17-I21 WeakPolarHBondContact O-CB 3.34Å; S17-I21 VanDerWaalsContact O-CG1 3.24Å; S17-I21 WeakPolarHBondContact O-CG1 3.31Å; S17-I21 PolarHBondContact O-N 3.32Å; S17-T35 PolarHBondContact OG-OG1 2.95Å; S17-D57 WeakPolarHBondContact CA-OD2 3.41Å; S17-D57 WeakPolarHBondContact CB-OD2 3.36Å; S17-D57 PolarHBondContact N-OD1 3.25Å; S17-D57 PolarHBondContact OG-OD2 3.44Å
18A97Very high95.9Very high22 Ų2226.9 Ų26.918%0.18215%0.154CC..Hα-helixtrans-62.2-40.3176.900000112.4G15 K16 Q22 F28 A146G15-A18 PolarHBondContact O-N 3.27Å; K16-A18 VanDerWaalsContact C-N 3.33Å; K16-A18 PolarHBondContact O-N 3.17Å; A18-Q22 WeakPolarHBondContact O-CB 3.48Å; A18-Q22 PolarHBondContact O-N 3.02Å; A18-F28 HydrophobicContact CB-CD2 4.32Å; A18-F28 HydrophobicContact CB-CE2 3.97Å; A18-A146 HydrophobicContact CB-CB 3.7Å
19L98.1Very high95.2Very high1 Ų130.2 Ų30.21%0.00517%0.174CC..Hα-helixtrans-65.4-45.8174-73.7170.9000111.5G15 K16 S17 Q22 L23 V81 V114 N116 T144 A146 V152 F156G15-L19 WeakPolarHBondContact O-CG 3.42Å; G15-L19 PolarHBondContact O-N 3.36Å; K16-L19 WeakPolarHBondContact O-CB 3.48Å; K16-L19 PolarHBondContact O-N 3.42Å; K16-L19 VanDerWaalsContact O-N 3.14Å; S17-L19 VanDerWaalsContact C-N 3.35Å; S17-L19 PolarHBondContact O-N 2.93Å; L19-Q22 PolarHBondContact O-N 3.34Å; L19-L23 PolarHBondContact O-N 2.96Å; L19-V81 HydrophobicContact CD1-CG1 3.86Å; L19-V81 HydrophobicContact CD1-CG2 4.19Å; L19-V114 HydrophobicContact CD1-CG1 4.01Å; L19-N116 HydrophobicContact CD1-CB 4.24Å; L19-T144 HydrophobicContact CD2-CG2 4.48Å; L19-A146 HydrophobicContact CD2-CB 3.94Å; L19-A146 HydrophobicContact CG-CB 4.21Å; L19-V152 HydrophobicContact CD2-CG2 3.82Å; L19-F156 HydrophobicContact CB-CE2 4.3Å
20T97.1Very high94.5Very high0 Ų036.2 Ų36.20%021%0.206CC..Hα-helixtrans-62.2-51.2179.1-57.40000111.1K16 S17 Q22 L23 I24 Y40 I55K16-T20 PolarHBondContact O-N 3.08Å; K16-T20 PolarHBondContact O-OG1 3.27Å; K16-T20 VanDerWaalsContact O-OG1 3.14Å; S17-T20 PolarHBondContact O-N 3.37Å; T20-Q22 VanDerWaalsContact C-N 3.33Å; T20-Q22 PolarHBondContact O-N 3.33Å; T20-L23 WeakPolarHBondContact O-CB 3.33Å; T20-L23 PolarHBondContact O-N 3.26Å; T20-I24 HydrophobicContact CG2-CG1 4.24Å; T20-I24 WeakPolarHBondContact O-CB 3.41Å; T20-I24 WeakPolarHBondContact O-CG1 3.06Å; T20-I24 PolarHBondContact O-N 2.98Å; T20-Y40 HydrophobicContact CG2-CD2 3.34Å; T20-Y40 HydrophobicContact CG2-CE2 3.79Å; T20-Y40 HydrophobicContact CG2-CG 3.9Å; T20-I55 HydrophobicContact CG2-CB 4.4Å; T20-I55 HydrophobicContact CG2-CG2 3.81Å
21I95.6Very high93.9Very high31 Ų3144.4 Ų44.416%0.15924%0.244CC..Hα-helixtrans-61.8-41.7178-66.5165.5000110.6S17 L23 I24 Q25S17-I21 WeakPolarHBondContact O-CB 3.34Å; S17-I21 VanDerWaalsContact O-CG1 3.24Å; S17-I21 WeakPolarHBondContact O-CG1 3.31Å; S17-I21 PolarHBondContact O-N 3.32Å; I21-L23 VanDerWaalsContact C-N 3.31Å; I21-L23 PolarHBondContact O-N 2.89Å; I21-I24 PolarHBondContact O-N 2.94Å; I21-I24 VanDerWaalsContact O-N 3.17Å; I21-Q25 HydrophobicContact CG2-CB 4.35Å; I21-Q25 HydrophobicContact CG2-CG 4.42Å; I21-Q25 WeakPolarHBondContact O-CB 3.11Å; I21-Q25 PolarHBondContact O-N 2.77Å
22Q97.3Very high93.1Very high12 Ų1250.1 Ų50.16%0.05626%0.264CS..Hα-helixtrans-63.2-39.1178.1-174.468.5-55.300111.6A18 L19 T20 N26 H27 A146 R149 V152A18-Q22 WeakPolarHBondContact O-CB 3.48Å; A18-Q22 PolarHBondContact O-N 3.02Å; L19-Q22 PolarHBondContact O-N 3.34Å; T20-Q22 VanDerWaalsContact C-N 3.33Å; T20-Q22 PolarHBondContact O-N 3.33Å; Q22-N26 VanDerWaalsContact O-CA 3.3Å; Q22-N26 WeakPolarHBondContact O-CA 3.4Å; Q22-N26 PolarHBondContact O-N 3.14Å; Q22-N26 VanDerWaalsContact O-N 3.13Å; Q22-H27 WeakPolarHBondContact CA-O 2.92Å; Q22-H27 PolarHBondContact OE1-O 3.12Å; Q22-H27 VanDerWaalsContact OE1-O 3.1Å; Q22-A146 WeakPolarHBondContact CG-O 3.43Å; Q22-A146 PolarHBondContact NE2-O 3.42Å; Q22-R149 HydrophobicContact CG-CB 4.16Å; Q22-R149 HydrophobicContact CG-CG 4.1Å; Q22-V152 HydrophobicContact CB-CG1 4.39Å; Q22-V152 HydrophobicContact CG-CG1 4.37Å; Q22-V152 HydrophobicContact CG-CG2 4.09Å
23L97.3Very high92.6Very high1 Ų155.7 Ų55.71%0.00529%0.289CS..Hα-helixtrans-65-47.5172178.870.7000111.3L19 T20 I21 K42 L53 I55 V152 E153 F156L19-L23 PolarHBondContact O-N 2.96Å; T20-L23 WeakPolarHBondContact O-CB 3.33Å; T20-L23 PolarHBondContact O-N 3.26Å; I21-L23 VanDerWaalsContact C-N 3.31Å; I21-L23 PolarHBondContact O-N 2.89Å; L23-K42 PolarHBondContact O-NZ 3.33Å; L23-L53 HydrophobicContact CD2-CD1 4.08Å; L23-I55 HydrophobicContact CD2-CD1 3.52Å; L23-V152 HydrophobicContact CB-CG1 3.92Å; L23-E153 HydrophobicContact CD1-CG 3.86Å; L23-F156 HydrophobicContact CB-CD2 4.34Å; L23-F156 HydrophobicContact CB-CE2 4.17Å; L23-F156 HydrophobicContact CD2-CB 3.98Å; L23-F156 HydrophobicContact CD2-CD1 3.84Å; L23-F156 HydrophobicContact CD2-CD2 3.64Å; L23-F156 HydrophobicContact CD2-CE1 4.18Å; L23-F156 HydrophobicContact CD2-CE2 3.99Å; L23-F156 HydrophobicContact CD2-CG 3.56Å; L23-F156 HydrophobicContact CD2-CZ 4.25Å; L23-F156 HydrophobicContact CG-CD2 4.38Å
24I95.5Very high92.2Very high33 Ų3357.4 Ų57.417%0.16930%0.296CS..Hα-helixtrans-74-46.8-170-62.3-68.7000111.7T20 I21 Y40 K42 I55T20-I24 HydrophobicContact CG2-CG1 4.24Å; T20-I24 WeakPolarHBondContact O-CB 3.41Å; T20-I24 WeakPolarHBondContact O-CG1 3.06Å; T20-I24 PolarHBondContact O-N 2.98Å; I21-I24 PolarHBondContact O-N 2.94Å; I21-I24 VanDerWaalsContact O-N 3.17Å; I24-Y40 HydrophobicContact CG1-CD1 4.39Å; I24-Y40 HydrophobicContact CG1-CG 4.22Å; I24-Y40 HydrophobicContact CG2-CD1 4.38Å; I24-K42 HydrophobicContact CD1-CB 3.44Å; I24-K42 VanDerWaalsContact CD1-CB 3.44Å; I24-K42 HydrophobicContact CD1-CD 4.15Å; I24-K42 HydrophobicContact CD1-CG 4.39Å; I24-I55 HydrophobicContact CD1-CD1 4.1Å
25Q93.2Very high91.6Very high114 Ų11458.4 Ų58.453%0.53330%0.302SS..Hα-helixtrans-110.7-7.1-167.1-57.3-176.70.400113.8I21 H27I21-Q25 HydrophobicContact CG2-CB 4.35Å; I21-Q25 HydrophobicContact CG2-CG 4.42Å; I21-Q25 WeakPolarHBondContact O-CB 3.11Å; I21-Q25 PolarHBondContact O-N 2.77Å; Q25-H27 HydrophobicContact CB-CB 4.25Å; Q25-H27 PolarHBondContact O-N 3.13Å
26N93.7Very high90.9Very high85 Ų8562 Ų6246%0.45532%0.316SS..SBendtrans52.837.8-170.4-57.8-54.4000112.3Q22 R149Q22-N26 VanDerWaalsContact O-CA 3.3Å; Q22-N26 WeakPolarHBondContact O-CA 3.4Å; Q22-N26 PolarHBondContact O-N 3.14Å; Q22-N26 VanDerWaalsContact O-N 3.13Å; N26-R149 PolarHBondContact OD1-NH1 2.83Å; N26-R149 PolarHBondContact OD1-NH2 3.1Å; N26-R149 VanDerWaalsContact OD1-NH2 3.17Å
27H91.1Very high90.5Very high99 Ų9965.1 Ų65.146%0.45833%0.331SS..  trans-132.9145-179.9-174.757000111.2Q22 Q25Q22-H27 WeakPolarHBondContact CA-O 2.92Å; Q22-H27 PolarHBondContact OE1-O 3.12Å; Q22-H27 VanDerWaalsContact OE1-O 3.1Å; Q25-H27 HydrophobicContact CB-CB 4.25Å; Q25-H27 PolarHBondContact O-N 3.13Å
28F91Very high90.3Very high56 Ų5667.7 Ų67.725%0.24634%0.343CS..  trans-117122.5173.9-179-111.4000109.3A18 D30 A146 K147A18-F28 HydrophobicContact CB-CD2 4.32Å; A18-F28 HydrophobicContact CB-CE2 3.97Å; F28-D30 WeakPolarHBondContact CE1-OD1 3.38Å; F28-A146 HydrophobicContact CD2-CB 4.05Å; F28-A146 HydrophobicContact CE2-CB 3.94Å; F28-K147 HydrophobicContact CD1-CB 4.09Å; F28-K147 HydrophobicContact CD1-CG 3.9Å; F28-K147 HydrophobicContact CD2-CB 4.44Å; F28-K147 HydrophobicContact CE1-CB 3.72Å; F28-K147 HydrophobicContact CE1-CD 4.13Å; F28-K147 HydrophobicContact CE1-CG 3.64Å; F28-K147 HydrophobicContact CE2-CB 4.16Å; F28-K147 HydrophobicContact CG-CB 4.42Å; F28-K147 HydrophobicContact CZ-CB 3.8Å; F28-K147 HydrophobicContact CZ-CG 4.22Å
29V84.4Confident90.2Very high69 Ų6970.1 Ų70.142%0.41836%0.359SS..  trans-99.5119.8175.7-177.40000107.8E31V29-E31 VanDerWaalsContact C-N 3.33Å; V29-E31 HydrophobicContact CG1-CB 4.25Å
30D81.8Confident90.1Very high132 Ų13272.2 Ų72.271%0.70637%0.367SS*.  trans-72.3-26.7-179.3-80.5-41.2000112.7F28F28-D30 WeakPolarHBondContact CE1-OD1 3.38Å
31E85.8Confident90.1Very high172 Ų17279.1 Ų79.180%0.80439%0.393SS*.SBendtrans-75.3133.9-179.3-66.8-178.6-175.700111.6V29V29-E31 VanDerWaalsContact C-N 3.33Å; V29-E31 HydrophobicContact CG1-CB 4.25Å
32Y78.4Confident90.1Very high132 Ų13279.8 Ų79.852%0.51840%0.395SS..  trans-99.5108.6178.3179.6-109.1000110.8G13 P34G13-Y32 PolarHBondContact N-OH 3.46Å; G13-Y32 VanDerWaalsContact N-OH 3.09Å; Y32-P34 HydrophobicContact CD1-CG 4.37Å; Y32-P34 HydrophobicContact CE1-CB 4.42Å; Y32-P34 HydrophobicContact CE1-CG 3.73Å
33D84.7Confident90.1Very high136 Ų13685.2 Ų85.273%0.72742%0.42SS*.  trans-106.7119.8164.2-168.77.4000109.2T35D33-T35 PolarHBondContact O-N 3.23Å; D33-T35 VanDerWaalsContact O-N 3.11Å
34P86.2Confident90.2Very high62 Ų6285.7 Ų85.740%0.40342%0.423SS..  trans-59.2113178.1-22.932000113Y32Y32-P34 HydrophobicContact CD1-CG 4.37Å; Y32-P34 HydrophobicContact CE1-CB 4.42Å; Y32-P34 HydrophobicContact CE1-CG 3.73Å
35T84.3Confident90.3Very high22 Ų2288.3 Ų88.314%0.13544%0.44CS..  trans-65.6140.4174.2-530000112.2S17 D33 A59S17-T35 PolarHBondContact OG-OG1 2.95Å; D33-T35 PolarHBondContact O-N 3.23Å; D33-T35 VanDerWaalsContact O-N 3.11Å; T35-A59 WeakPolarHBondContact O-CA 3.46Å; T35-A59 VanDerWaalsContact O-CB 3.27Å; T35-A59 WeakPolarHBondContact O-CB 3.19Å
36I83.4Confident90.5Very high90 Ų9082.9 Ų82.946%0.46242%0.415SS..SBendtrans-90.6-61.2167.5-60.1179.3000108.9A59 Y64 M67I36-A59 VanDerWaalsContact O-CB 3.26Å; I36-A59 WeakPolarHBondContact O-CB 3.39Å; I36-A59 PolarHBondContact O-N 3.1Å; I36-Y64 HydrophobicContact CG1-CE1 4.43Å; I36-Y64 HydrophobicContact CG1-CE2 4.37Å; I36-Y64 HydrophobicContact CG2-CD1 4.28Å; I36-Y64 HydrophobicContact CG2-CE1 3.86Å; I36-M67 HydrophobicContact CG2-CE 4.22Å
37E87.4Confident90.7Very high76 Ų7683.7 Ų83.736%0.35542%0.419SS..EExtended strand (participates in β ladder)trans-162.9137.3171.7173.6179.487.200108.4L56 D57 Y71E37-L56 HydrophobicContact CG-CD1 3.64Å; E37-D57 WeakPolarHBondContact CA-O 3.43Å; E37-Y71 WeakPolarHBondContact OE2-CD1 3.37Å; E37-Y71 WeakPolarHBondContact OE2-CE1 3.26Å; E37-Y71 WeakPolarHBondContact OE2-CE2 2.93Å; E37-Y71 PolarHBondContact OE2-OH 3.15Å
38D93.1Very high90.9Very high77 Ų7782.3 Ų82.341%0.41243%0.432SS..EExtended strand (participates in β ladder)trans-138.7143.6166.5-80.7-58.7000111.3Y40 D57D38-Y40 HydrophobicContact CB-CD2 4.31Å; D38-Y40 HydrophobicContact CB-CE2 3.46Å; D38-Y40 VanDerWaalsContact CB-CE2 3.46Å; D38-D57 PolarHBondContact N-O 3.39Å; D38-D57 PolarHBondContact O-N 3.43Å
39S93.9Very high91.2Very high73 Ų7383.1 Ų83.151%0.5144%0.436SS..EExtended strand (participates in β ladder)trans-112.1130.4175.6175.50000110.6D54 I55S39-D54 PolarHBondContact OG-OD1 2.88Å; S39-I55 CarbonylContact C-O 3.52Å; S39-I55 WeakPolarHBondContact CA-O 3.45Å
40Y96.4Very high91.9Very high45 Ų4582.7 Ų82.718%0.17643%0.434CS..EExtended strand (participates in β ladder)trans-126.8142.7-179.9-59.3-89.8000111.1T20 I24 D38 I55 D57T20-Y40 HydrophobicContact CG2-CD2 3.34Å; T20-Y40 HydrophobicContact CG2-CE2 3.79Å; T20-Y40 HydrophobicContact CG2-CG 3.9Å; I24-Y40 HydrophobicContact CG1-CD1 4.39Å; I24-Y40 HydrophobicContact CG1-CG 4.22Å; I24-Y40 HydrophobicContact CG2-CD1 4.38Å; D38-Y40 HydrophobicContact CB-CD2 4.31Å; D38-Y40 HydrophobicContact CB-CE2 3.46Å; D38-Y40 VanDerWaalsContact CB-CE2 3.46Å; Y40-I55 PolarHBondContact N-O 3.09Å; Y40-I55 PolarHBondContact O-N 3.22Å; Y40-D57 HydrophobicContact CE2-CB 4.21Å
41R97.1Very high92.6Very high145 Ų14576.4 Ų76.455%0.54740%0.4SS..EExtended strand (participates in β ladder)trans-124.4133.5176.9-69.7179.4171.2-154.3-11.8111.2E3 L52 L53 D54E3-R41 IonicContact OE1-NH2 2.9Å; R41-L52 HydrophobicContact CB-CD1 4.25Å; R41-L53 VanDerWaalsContact CA-O 3.26Å; R41-L53 WeakPolarHBondContact CA-O 3.34Å; R41-D54 HydrophobicContact CG-CB 4.42Å; R41-D54 WeakPolarHBondContact CG-OD1 3.37Å; R41-D54 IonicContact CZ-OD1 3.56Å; R41-D54 IonicContact CZ-OD2 3.94Å; R41-D54 IonicContact NE-OD1 3.3Å; R41-D54 PolarHBondContact NE-OD1 2.95Å; R41-D54 VanDerWaalsContact NE-OD1 3.14Å; R41-D54 IonicContact NE-OD2 3.14Å; R41-D54 IonicContact NH2-OD1 2.83Å; R41-D54 IonicContact NH2-OD2 3.84Å; R41-D54 PolarHBondContact NH2-OD2 3.49Å
42K96.5Very high93.2Very high44 Ų4469.6 Ų69.619%0.19137%0.37CS..EExtended strand (participates in β ladder)trans-143.9127.8175.5-176.8178-179.1-176.50111.5L23 I24 V44 L53L23-K42 PolarHBondContact O-NZ 3.33Å; I24-K42 HydrophobicContact CD1-CB 3.44Å; I24-K42 VanDerWaalsContact CD1-CB 3.44Å; I24-K42 HydrophobicContact CD1-CD 4.15Å; I24-K42 HydrophobicContact CD1-CG 4.39Å; K42-V44 HydrophobicContact CD-CG1 3.93Å; K42-V44 HydrophobicContact CG-CG1 3.82Å; K42-L53 PolarHBondContact N-O 2.67Å; K42-L53 PolarHBondContact O-N 3.46Å
43Q97.9Very high94.2Very high127 Ų12763.3 Ų63.359%0.59335%0.345SS*.EExtended strand (participates in β ladder)trans-78.3130.1168.5-176.1177.8-24.600109.4M1 T50 C51M1-Q43 HydrophobicContact SD-CG 3.85Å; Q43-T50 HydrophobicContact CG-CG2 3.82Å; Q43-C51 WeakPolarHBondContact CA-O 3.3Å
44V97.5Very high94.8Very high10 Ų1057.8 Ų57.86%0.06132%0.315CS..EExtended strand (participates in β ladder)trans-139.1166.2-178.6-640000110.1K42 I46 T50 C51 L53 Y157K42-V44 HydrophobicContact CD-CG1 3.93Å; K42-V44 HydrophobicContact CG-CG1 3.82Å; V44-I46 HydrophobicContact CG2-CD1 3.73Å; V44-I46 HydrophobicContact CG2-CG1 3.75Å; V44-T50 WeakPolarHBondContact O-CA 3.43Å; V44-C51 PolarHBondContact N-O 2.94Å; V44-C51 PolarHBondContact O-N 2.94Å; V44-L53 HydrophobicContact CG1-CD1 4.28Å; V44-L53 HydrophobicContact CG2-CD1 3.91Å; V44-L53 HydrophobicContact CG2-CD2 4.05Å; V44-L53 HydrophobicContact CG2-CG 3.73Å; V44-Y157 HydrophobicContact CB-CE1 4.38Å; V44-Y157 HydrophobicContact CG1-CE1 4.38Å; V44-Y157 HydrophobicContact CG2-CE1 4.27Å
45V97.9Very high95.4Very high88 Ų8854.9 Ų54.953%0.53330%0.296SS..EExtended strand (participates in β ladder)trans-112.4114.6169.9-179.40000107.7E49V45-E49 WeakPolarHBondContact CA-O 3.28Å
46I97.8Very high96Very high1 Ų155 Ų551%0.00530%0.296CS..EExtended strand (participates in β ladder)trans-118.6115.1179.4-57.9173.6000108.3V44 G48 E49 L53 Y157 V160 R164V44-I46 HydrophobicContact CG2-CD1 3.73Å; V44-I46 HydrophobicContact CG2-CG1 3.75Å; I46-G48 VanDerWaalsContact C-N 3.27Å; I46-G48 PolarHBondContact O-N 3.09Å; I46-E49 PolarHBondContact N-O 3.41Å; I46-E49 PolarHBondContact O-N 2.73Å; I46-L53 HydrophobicContact CD1-CD2 4.11Å; I46-Y157 HydrophobicContact CD1-CD1 3.4Å; I46-Y157 VanDerWaalsContact CD1-CD1 3.4Å; I46-Y157 HydrophobicContact CD1-CE1 3.77Å; I46-Y157 HydrophobicContact CD1-CG 3.84Å; I46-Y157 HydrophobicContact CG1-CD1 3.71Å; I46-Y157 HydrophobicContact CG1-CD2 4.01Å; I46-Y157 HydrophobicContact CG1-CE1 3.82Å; I46-Y157 HydrophobicContact CG1-CE2 4.09Å; I46-Y157 HydrophobicContact CG1-CG 3.81Å; I46-Y157 HydrophobicContact CG2-CD2 4.43Å; I46-Y157 HydrophobicContact CG2-CG 4.25Å; I46-V160 HydrophobicContact CD1-CB 3.9Å; I46-V160 HydrophobicContact CD1-CG1 3.94Å; I46-V160 HydrophobicContact CD1-CG2 3.72Å; I46-V160 HydrophobicContact CG2-CG1 4.46Å; I46-R164 PolarHBondContact O-NH1 3.12Å; I46-R164 VanDerWaalsContact O-NH1 3.13Å; I46-R164 PolarHBondContact O-NH2 3.46Å; I46-R164 VanDerWaalsContact O-NH2 3.09Å
47D97.3Very high96.6Very high101 Ų10150.7 Ų50.754%0.5427%0.274SS..THydrogen-bonded Turntrans57.139.4-178.1-47-39000112.5E49 R161 R164D47-E49 VanDerWaalsContact C-N 3.28Å; D47-E49 PolarHBondContact O-N 3.02Å; D47-R161 IonicContact OD1-CZ 3.46Å; D47-R161 IonicContact OD1-NE 3.26Å; D47-R161 PolarHBondContact OD1-NE 3.12Å; D47-R161 IonicContact OD1-NH2 2.77Å; D47-R161 PolarHBondContact OD1-NH2 3.05Å; D47-R161 WeakPolarHBondContact OD2-CG 3.34Å; D47-R161 IonicContact OD2-CZ 3.77Å; D47-R161 IonicContact OD2-NE 2.89Å; D47-R161 PolarHBondContact OD2-NE 3.23Å; D47-R161 IonicContact OD2-NH2 3.79Å; D47-R164 IonicContact OD2-NH1 3.14Å; D47-R164 PolarHBondContact OD2-NH1 2.9Å; D47-R164 VanDerWaalsContact OD2-NH1 3.14Å
48G97Very high96.9Very high71 Ų7147.5 Ų47.573%0.73226%0.26SS*.THydrogen-bonded Turntrans82-7.2-18000000115.3I46I46-G48 VanDerWaalsContact C-N 3.27Å; I46-G48 PolarHBondContact O-N 3.09Å
49E96.8Very high96.8Very high72 Ų7244.2 Ų44.234%0.33624%0.243SC..EExtended strand (participates in β ladder)trans-97.6125.9175.9-172.6-167.9170.500110.8T2 V45 I46 D47 C51 R164T2-E49 PolarHBondContact OG1-OE1 2.79Å; V45-E49 WeakPolarHBondContact CA-O 3.28Å; I46-E49 PolarHBondContact N-O 3.41Å; I46-E49 PolarHBondContact O-N 2.73Å; D47-E49 VanDerWaalsContact C-N 3.28Å; D47-E49 PolarHBondContact O-N 3.02Å; E49-C51 PolarHBondContact O-N 3.5Å; E49-R164 IonicContact OE2-CZ 3.34Å; E49-R164 IonicContact OE2-NE 3.46Å; E49-R164 PolarHBondContact OE2-NE 2.69Å; E49-R164 IonicContact OE2-NH2 2.73Å; E49-R164 PolarHBondContact OE2-NH2 3.08Å
50T97.9Very high96.4Very high60 Ų6041.1 Ų41.137%0.36822%0.223SC..EExtended strand (participates in β ladder)trans-74.1123.1170.6-56.40000110.4M1 Q43 V44M1-T50 HydrophobicContact CG-CG2 4.5Å; M1-T50 HydrophobicContact SD-CG2 3.86Å; Q43-T50 HydrophobicContact CG-CG2 3.82Å; V44-T50 WeakPolarHBondContact O-CA 3.43Å
51C98.1Very high95.8Very high0 Ų042.2 Ų42.20%023%0.23CC..EExtended strand (participates in β ladder)trans-138.1162.5178.363.30000112.4T2 Y4 Q43 V44 E49T2-C51 CarbonylContact O-C 3.31Å; T2-C51 VanDerWaalsContact O-CA 3.3Å; T2-C51 WeakPolarHBondContact O-CA 3.41Å; T2-C51 VanDerWaalsContact O-CB 3.29Å; T2-C51 WeakPolarHBondContact O-CB 3.29Å; Y4-C51 HydrophobicContact CD2-CB 3.86Å; Y4-C51 HydrophobicContact CE2-CB 3.61Å; Q43-C51 WeakPolarHBondContact CA-O 3.3Å; V44-C51 PolarHBondContact N-O 2.94Å; V44-C51 PolarHBondContact O-N 2.94Å; E49-C51 PolarHBondContact O-N 3.5Å
52L98.4Very high95.1Very high30 Ų3041.8 Ų41.816%0.15723%0.234CC..EExtended strand (participates in β ladder)trans-101.9124.1172.1-175.166.5000109.4M1 T2 E3 Y4 R41M1-L52 HydrophobicContact CE-CB 4Å; M1-L52 HydrophobicContact SD-CB 4.5Å; T2-L52 PolarHBondContact O-N 2.78Å; E3-L52 WeakPolarHBondContact CA-O 3.38Å; E3-L52 HydrophobicContact CB-CB 4.5Å; E3-L52 HydrophobicContact CG-CB 4.41Å; E3-L52 HydrophobicContact CG-CD2 4.22Å; E3-L52 HydrophobicContact CG-CG 4.47Å; Y4-L52 PolarHBondContact N-O 3.46Å; R41-L52 HydrophobicContact CB-CD1 4.25Å
53L98.4Very high94.5Very high0 Ų047.1 Ų47.10%026%0.259CS..EExtended strand (participates in β ladder)trans-88.1125.4166.2-50.2-175.4000108Y4 L6 L23 R41 K42 V44 I46 I55 Y157 V160Y4-L53 HydrophobicContact CD2-CD2 4.41Å; L6-L53 HydrophobicContact CD1-CD1 4.48Å; L6-L53 HydrophobicContact CD1-CD2 4.21Å; L23-L53 HydrophobicContact CD2-CD1 4.08Å; R41-L53 VanDerWaalsContact CA-O 3.26Å; R41-L53 WeakPolarHBondContact CA-O 3.34Å; K42-L53 PolarHBondContact N-O 2.67Å; K42-L53 PolarHBondContact O-N 3.46Å; V44-L53 HydrophobicContact CG1-CD1 4.28Å; V44-L53 HydrophobicContact CG2-CD1 3.91Å; V44-L53 HydrophobicContact CG2-CD2 4.05Å; V44-L53 HydrophobicContact CG2-CG 3.73Å; I46-L53 HydrophobicContact CD1-CD2 4.11Å; L53-I55 HydrophobicContact CB-CD1 4.17Å; L53-I55 HydrophobicContact CB-CG1 3.98Å; L53-I55 HydrophobicContact CD1-CD1 4.42Å; L53-Y157 HydrophobicContact CD1-CE1 4.41Å; L53-V160 HydrophobicContact CD2-CG2 3.65Å
54D98.1Very high93.8Very high20 Ų2045.2 Ų45.211%0.10725%0.247CC..EExtended strand (participates in β ladder)trans-109.798.9169.2-167.814.2000107.4E3 Y4 K5 L6 S39 R41E3-D54 HydrophobicContact CG-CB 4.22Å; Y4-D54 PolarHBondContact O-N 3.36Å; K5-D54 CarbonylContact C-O 3.49Å; K5-D54 WeakPolarHBondContact CA-O 3.28Å; K5-D54 HydrophobicContact CG-CB 4.28Å; L6-D54 PolarHBondContact N-O 3.23Å; S39-D54 PolarHBondContact OG-OD1 2.88Å; R41-D54 HydrophobicContact CG-CB 4.42Å; R41-D54 WeakPolarHBondContact CG-OD1 3.37Å; R41-D54 IonicContact CZ-OD1 3.56Å; R41-D54 IonicContact CZ-OD2 3.94Å; R41-D54 IonicContact NE-OD1 3.3Å; R41-D54 PolarHBondContact NE-OD1 2.95Å; R41-D54 VanDerWaalsContact NE-OD1 3.14Å; R41-D54 IonicContact NE-OD2 3.14Å; R41-D54 IonicContact NH2-OD1 2.83Å; R41-D54 IonicContact NH2-OD2 3.84Å; R41-D54 PolarHBondContact NH2-OD2 3.49Å
55I98.3Very high93.1Very high0 Ų047.4 Ų47.40%026%0.263CS..EExtended strand (participates in β ladder)trans-103.9123.6-168.4-53.4177.3000108.9L6 V8 T20 L23 I24 S39 Y40 L53 F156L6-I55 HydrophobicContact CB-CG1 4.37Å; L6-I55 HydrophobicContact CD1-CG1 4.38Å; L6-I55 CarbonylContact O-C 3.6Å; L6-I55 WeakPolarHBondContact O-CA 3.45Å; V8-I55 HydrophobicContact CG2-CG2 3.87Å; T20-I55 HydrophobicContact CG2-CB 4.4Å; T20-I55 HydrophobicContact CG2-CG2 3.81Å; L23-I55 HydrophobicContact CD2-CD1 3.52Å; I24-I55 HydrophobicContact CD1-CD1 4.1Å; S39-I55 CarbonylContact C-O 3.52Å; S39-I55 WeakPolarHBondContact CA-O 3.45Å; Y40-I55 PolarHBondContact N-O 3.09Å; Y40-I55 PolarHBondContact O-N 3.22Å; L53-I55 HydrophobicContact CB-CD1 4.17Å; L53-I55 HydrophobicContact CB-CG1 3.98Å; L53-I55 HydrophobicContact CD1-CD1 4.42Å; I55-F156 HydrophobicContact CD1-CD1 3.93Å; I55-F156 HydrophobicContact CD1-CE1 3.77Å; I55-F156 HydrophobicContact CG1-CE1 4.45Å; I55-F156 HydrophobicContact CG2-CE1 3.97Å
56L97.3Very high92.4Very high25 Ų2547.7 Ų47.713%0.13128%0.275CS..EExtended strand (participates in β ladder)trans-101112.3171.7-16963.2000109.8L6 V7 V8 E37 T58 Y71L6-L56 PolarHBondContact O-N 3.04Å; V7-L56 HydrophobicContact CG1-CB 4.48Å; V7-L56 HydrophobicContact CG2-CB 4.23Å; V7-L56 HydrophobicContact CG2-CD2 4.41Å; V8-L56 PolarHBondContact N-O 3.27Å; E37-L56 HydrophobicContact CG-CD1 3.64Å; L56-T58 HydrophobicContact CG-CG2 4.3Å; L56-Y71 HydrophobicContact CD2-CD1 3.56Å; L56-Y71 HydrophobicContact CD2-CD2 4.28Å; L56-Y71 HydrophobicContact CD2-CE1 4.44Å; L56-Y71 HydrophobicContact CD2-CG 3.51Å
57D95.2Very high91.8Very high0 Ų050.4 Ų50.40%029%0.288CS..EExtended strand (participates in β ladder)trans-89.9125170.1-177.235.5000109.5K16 S17 E37 D38 Y40K16-D57 VanDerWaalsContact CB-OD1 3.24Å; K16-D57 WeakPolarHBondContact CB-OD1 3.49Å; S17-D57 WeakPolarHBondContact CA-OD2 3.41Å; S17-D57 WeakPolarHBondContact CB-OD2 3.36Å; S17-D57 PolarHBondContact N-OD1 3.25Å; S17-D57 PolarHBondContact OG-OD2 3.44Å; E37-D57 WeakPolarHBondContact CA-O 3.43Å; D38-D57 PolarHBondContact N-O 3.39Å; D38-D57 PolarHBondContact O-N 3.43Å; Y40-D57 HydrophobicContact CE2-CB 4.21Å
58T94.2Very high91.4Very high9 Ų946.7 Ų46.76%0.05527%0.266CS..EExtended strand (participates in β ladder)trans-110.8156.3-170.978.40000112.3V7 V8 K16 L56 G60 Y71V7-T58 HydrophobicContact CG1-CG2 3.73Å; V8-T58 PolarHBondContact O-OG1 3.31Å; V8-T58 VanDerWaalsContact O-OG1 3.1Å; K16-T58 WeakPolarHBondContact CE-O 3.5Å; K16-T58 PolarHBondContact NZ-O 3.48Å; L56-T58 HydrophobicContact CG-CG2 4.3Å; T58-G60 PolarHBondContact O-N 3.48Å; T58-Y71 HydrophobicContact CG2-CD2 3.84Å; T58-Y71 HydrophobicContact CG2-CG 4.48Å
59A91.2Very high91.1Very high7 Ų745.9 Ų45.96%0.05825%0.245CC..  trans-53.8140.9162.800000111.9T35 I36 Y64T35-A59 WeakPolarHBondContact O-CA 3.46Å; T35-A59 VanDerWaalsContact O-CB 3.27Å; T35-A59 WeakPolarHBondContact O-CB 3.19Å; I36-A59 VanDerWaalsContact O-CB 3.26Å; I36-A59 WeakPolarHBondContact O-CB 3.39Å; I36-A59 PolarHBondContact O-N 3.1Å; A59-Y64 HydrophobicContact CB-CD2 3.56Å; A59-Y64 HydrophobicContact CB-CE2 4.44Å; A59-Y64 HydrophobicContact CB-CG 3.78Å
60G84.7Confident90.9Very high8 Ų848.4 Ų48.48%0.08226%0.257CS..  trans-95-10.1170.900000114.2G10 G12 T58 Y96G10-G60 VanDerWaalsContact O-CA 3.27Å; G10-G60 WeakPolarHBondContact O-CA 3.23Å; G12-G60 PolarHBondContact N-O 3.18Å; T58-G60 PolarHBondContact O-N 3.48Å; G60-Y96 PolarHBondContact O-OH 2.66Å
61Q84.1Confident90.6Very high69 Ų6946.5 Ų46.532%0.32224%0.243SC..SBendtrans-81.9154.4-171.7-47.2-66.333.600111.9E63 Y64Q61-E63 VanDerWaalsContact C-N 3.32Å; Q61-E63 WeakPolarHBondContact CB-OE2 3.46Å; Q61-Y64 HydrophobicContact CB-CD2 4.26Å; Q61-Y64 PolarHBondContact O-N 3.3Å
62E82.2Confident90.4Very high136 Ų13646.6 Ų46.664%0.63624%0.244SC*.G310 helixtrans-72-28.4-176-70-173171.900112.2Y64 S65E62-Y64 PolarHBondContact O-N 2.93Å; E62-Y64 VanDerWaalsContact O-N 3.15Å; E62-S65 WeakPolarHBondContact O-CB 3.49Å; E62-S65 PolarHBondContact O-N 3.29Å; E62-S65 PolarHBondContact O-OG 2.98Å
63E85Confident90.2Very high155 Ų15553.5 Ų53.572%0.72427%0.268SS*.G310 helixtrans-59.2-27.3178.2-62.380.4-179.200112.1Q61Q61-E63 VanDerWaalsContact C-N 3.32Å; Q61-E63 WeakPolarHBondContact CB-OE2 3.46Å
64Y83.6Confident89.9Confident88 Ų8857.4 Ų57.435%0.34529%0.291SS..G310 helixtrans-98.811.3178.5-62.9-68.5000113.3I36 A59 Q61 E62 A66 M67I36-Y64 HydrophobicContact CG1-CE1 4.43Å; I36-Y64 HydrophobicContact CG1-CE2 4.37Å; I36-Y64 HydrophobicContact CG2-CD1 4.28Å; I36-Y64 HydrophobicContact CG2-CE1 3.86Å; A59-Y64 HydrophobicContact CB-CD2 3.56Å; A59-Y64 HydrophobicContact CB-CE2 4.44Å; A59-Y64 HydrophobicContact CB-CG 3.78Å; Q61-Y64 HydrophobicContact CB-CD2 4.26Å; Q61-Y64 PolarHBondContact O-N 3.3Å; E62-Y64 PolarHBondContact O-N 2.93Å; E62-Y64 VanDerWaalsContact O-N 3.15Å; Y64-A66 PolarHBondContact O-N 3.25Å; Y64-M67 HydrophobicContact CD1-CE 3.42Å; Y64-M67 VanDerWaalsContact CD1-CE 3.42Å; Y64-M67 HydrophobicContact CE1-CE 4.3Å; Y64-M67 HydrophobicContact CG-CE 3.97Å; Y64-M67 PolarHBondContact O-N 2.84Å; Y64-M67 VanDerWaalsContact O-N 3.11Å
65S82Confident89.9Confident56 Ų5656.5 Ų56.539%0.39229%0.287SS..G310 helixtrans-58.8-31.6-178.356.90000113.9E62 M67 R68E62-S65 WeakPolarHBondContact O-CB 3.49Å; E62-S65 PolarHBondContact O-N 3.29Å; E62-S65 PolarHBondContact O-OG 2.98Å; S65-M67 PolarHBondContact O-N 2.64Å; S65-R68 WeakPolarHBondContact O-CB 3.47Å; S65-R68 WeakPolarHBondContact O-CG 3.35Å; S65-R68 PolarHBondContact O-N 3.12Å
66A84.1Confident89.9Confident94 Ų9459.4 Ų59.478%0.77730%0.301SS*.G310 helixtrans-63.1-2417800000113.7Y64Y64-A66 PolarHBondContact O-N 3.25Å
67M84.8Confident89.9Confident57 Ų5758.2 Ų58.228%0.28129%0.294SS..G310 helixtrans-85.9-14.4179.6-58.5-168.1-56.400113I36 Y64 S65 D69 Q70 Y71I36-M67 HydrophobicContact CG2-CE 4.22Å; Y64-M67 HydrophobicContact CD1-CE 3.42Å; Y64-M67 VanDerWaalsContact CD1-CE 3.42Å; Y64-M67 HydrophobicContact CE1-CE 4.3Å; Y64-M67 HydrophobicContact CG-CE 3.97Å; Y64-M67 PolarHBondContact O-N 2.84Å; Y64-M67 VanDerWaalsContact O-N 3.11Å; S65-M67 PolarHBondContact O-N 2.64Å; M67-D69 VanDerWaalsContact C-N 3.31Å; M67-D69 PolarHBondContact O-N 3.33Å; M67-Q70 WeakPolarHBondContact O-CB 3.3Å; M67-Q70 PolarHBondContact O-N 3.05Å; M67-Q70 VanDerWaalsContact O-N 3.12Å; M67-Y71 HydrophobicContact CB-CE2 3.82Å
68R88.1Confident90.1Very high24 Ų2458.2 Ų58.29%0.09129%0.294CS..Hα-helixtrans-58.9-40.4-173.8-69.8178.4-174.7-178.83.5112.9S65 Q70 Y71 M72 Y96 Q99S65-R68 WeakPolarHBondContact O-CB 3.47Å; S65-R68 WeakPolarHBondContact O-CG 3.35Å; S65-R68 PolarHBondContact O-N 3.12Å; R68-Q70 PolarHBondContact O-N 2.92Å; R68-Y71 PolarHBondContact O-N 2.88Å; R68-M72 HydrophobicContact CB-CE 4.03Å; R68-M72 HydrophobicContact CB-SD 4.48Å; R68-M72 WeakPolarHBondContact O-CB 3.33Å; R68-M72 WeakPolarHBondContact O-CG 3.44Å; R68-M72 PolarHBondContact O-N 2.95Å; R68-Y96 PolarHBondContact NH2-OH 2.65Å; R68-Q99 VanDerWaalsContact CB-NE2 3.34Å; R68-Q99 VanDerWaalsContact CD-OE1 3.25Å
69D91.7Very high90.3Very high54 Ų5457.8 Ų57.829%0.28929%0.292SS..Hα-helixtrans-62.7-31.2-178.7-78.617.5000112.1M67 R73 Q99 R102 V103M67-D69 VanDerWaalsContact C-N 3.31Å; M67-D69 PolarHBondContact O-N 3.33Å; D69-R73 WeakPolarHBondContact O-CB 3.22Å; D69-R73 PolarHBondContact O-N 3.47Å; D69-R73 VanDerWaalsContact O-N 3.07Å; D69-Q99 PolarHBondContact OD1-NE2 3.21Å; D69-R102 IonicContact OD1-NH2 3.79Å; D69-R102 PolarHBondContact OD1-NH2 2.9Å; D69-R102 IonicContact OD2-NH2 3.94Å; D69-V103 HydrophobicContact CB-CG2 4.04Å; D69-V103 WeakPolarHBondContact O-CG1 3.42Å; D69-V103 WeakPolarHBondContact OD1-CG2 3.18Å
70Q91.7Very high90.7Very high124 Ų12457.5 Ų57.558%0.57929%0.289SS*.Hα-helixtrans-65.8-49.8177.5179.3176-36.600111.2M67 R68 R73 T74M67-Q70 WeakPolarHBondContact O-CB 3.3Å; M67-Q70 PolarHBondContact O-N 3.05Å; M67-Q70 VanDerWaalsContact O-N 3.12Å; R68-Q70 PolarHBondContact O-N 2.92Å; Q70-R73 WeakPolarHBondContact O-CB 3.5Å; Q70-R73 PolarHBondContact O-N 2.94Å; Q70-T74 PolarHBondContact O-N 3.38Å; Q70-T74 PolarHBondContact O-OG1 2.92Å
71Y91.2Very high91.3Very high20 Ų2057.1 Ų57.18%0.07829%0.285CS..Hα-helixtrans-70.6-36.6-177.6-51.1-27.6000111.7E37 L56 T58 M67 R68 R73 T74 G75E37-Y71 WeakPolarHBondContact OE2-CD1 3.37Å; E37-Y71 WeakPolarHBondContact OE2-CE1 3.26Å; E37-Y71 WeakPolarHBondContact OE2-CE2 2.93Å; E37-Y71 PolarHBondContact OE2-OH 3.15Å; L56-Y71 HydrophobicContact CD2-CD1 3.56Å; L56-Y71 HydrophobicContact CD2-CD2 4.28Å; L56-Y71 HydrophobicContact CD2-CE1 4.44Å; L56-Y71 HydrophobicContact CD2-CG 3.51Å; T58-Y71 HydrophobicContact CG2-CD2 3.84Å; T58-Y71 HydrophobicContact CG2-CG 4.48Å; M67-Y71 HydrophobicContact CB-CE2 3.82Å; R68-Y71 PolarHBondContact O-N 2.88Å; Y71-R73 VanDerWaalsContact C-N 3.28Å; Y71-R73 PolarHBondContact O-N 3.1Å; Y71-T74 PolarHBondContact O-N 3.45Å; Y71-T74 PolarHBondContact O-OG1 2.97Å; Y71-G75 PolarHBondContact O-N 2.87Å
72M93.5Very high92Very high2 Ų253.9 Ų53.91%0.0127%0.27CS..Hα-helixtrans-64.3-33173.4-69175-175.600112.3R68 F78 Q99 I100 V103 K104R68-M72 HydrophobicContact CB-CE 4.03Å; R68-M72 HydrophobicContact CB-SD 4.48Å; R68-M72 WeakPolarHBondContact O-CB 3.33Å; R68-M72 WeakPolarHBondContact O-CG 3.44Å; R68-M72 PolarHBondContact O-N 2.95Å; M72-F78 HydrophobicContact CB-CE1 4.32Å; M72-F78 HydrophobicContact CB-CZ 4.46Å; M72-F78 HydrophobicContact CG-CE1 4.13Å; M72-F78 WeakPolarHBondContact O-CZ 3.46Å; M72-Q99 HydrophobicContact CE-CB 3.92Å; M72-Q99 HydrophobicContact CE-CG 3.91Å; M72-Q99 HydrophobicContact SD-CB 3.85Å; M72-Q99 HydrophobicContact SD-CG 3.5Å; M72-Q99 WeakPolarHBondContact SD-CG 3.3Å; M72-I100 HydrophobicContact CE-CG1 3.89Å; M72-I100 HydrophobicContact CG-CG1 3.88Å; M72-I100 HydrophobicContact SD-CB 4.49Å; M72-I100 HydrophobicContact SD-CG1 3.84Å; M72-V103 HydrophobicContact CB-CB 3.88Å; M72-V103 HydrophobicContact CB-CG1 3.68Å; M72-V103 HydrophobicContact CB-CG2 4.17Å; M72-V103 HydrophobicContact SD-CG2 4.27Å; M72-K104 WeakPolarHBondContact O-CE 3.39Å; M72-K104 PolarHBondContact O-NZ 3.09Å
73R95.1Very high92.8Very high176 Ų17647.4 Ų47.466%0.66424%0.24SC*.Hα-helixtrans-67-42.6177.4-167.7177.6-59168.14.9111.9D69 Q70 Y71 V103 K104D69-R73 WeakPolarHBondContact O-CB 3.22Å; D69-R73 PolarHBondContact O-N 3.47Å; D69-R73 VanDerWaalsContact O-N 3.07Å; Q70-R73 WeakPolarHBondContact O-CB 3.5Å; Q70-R73 PolarHBondContact O-N 2.94Å; Y71-R73 VanDerWaalsContact C-N 3.28Å; Y71-R73 PolarHBondContact O-N 3.1Å; R73-V103 HydrophobicContact CB-CG1 3.99Å; R73-K104 PolarHBondContact O-NZ 2.81Å
74T92.7Very high93.5Very high81 Ų8140 Ų4050%0.49721%0.206SC..Hα-helixtrans-87-26.4-173.8570000114.4Q70 Y71Q70-T74 PolarHBondContact O-N 3.38Å; Q70-T74 PolarHBondContact O-OG1 2.92Å; Y71-T74 PolarHBondContact O-N 3.45Å; Y71-T74 PolarHBondContact O-OG1 2.97Å
75G96.9Very high94.2Very high1 Ų138.2 Ų38.21%0.0120%0.202CC..  trans-67.9135.5-179.100000114Y71 K104Y71-G75 PolarHBondContact O-N 2.87Å; G75-K104 WeakPolarHBondContact O-CE 3.42Å; G75-K104 PolarHBondContact O-NZ 3.18Å
76E97.9Very high94.9Very high62 Ų6238.5 Ų38.529%0.2920%0.199SC..SBendtrans-88.4-25177.8-65.4-178108.400113Y4 K5 I163 R167Y4-E76 WeakPolarHBondContact CA-OE2 3.46Å; K5-E76 HydrophobicContact CB-CG 4.11Å; K5-E76 PolarHBondContact N-OE2 3.02Å; K5-E76 PolarHBondContact O-N 3.39Å; E76-I163 HydrophobicContact CB-CD1 4.08Å; E76-I163 HydrophobicContact CB-CG1 4.48Å; E76-I163 HydrophobicContact CB-CG2 4.33Å; E76-R167 IonicContact OE1-CZ 3.5Å; E76-R167 IonicContact OE1-NE 3.64Å; E76-R167 IonicContact OE1-NH2 2.64Å; E76-R167 PolarHBondContact OE1-NH2 2.75Å; E76-R167 IonicContact OE2-NH2 3.12Å; E76-R167 PolarHBondContact OE2-NH2 3.47Å; E76-R167 VanDerWaalsContact OE2-NH2 3.12Å
77G98.6Very high95.6Very high0 Ų037 Ų370%018%0.183CC..EExtended strand (participates in β ladder)trans-152.8159.1171.900000112.1K5 V7 P110K5-G77 PolarHBondContact O-N 3.14Å; V7-G77 PolarHBondContact N-O 3.36Å; G77-P110 CarbonylContact C-O 3.53Å; G77-P110 VanDerWaalsContact CA-O 3.23Å; G77-P110 WeakPolarHBondContact CA-O 3.4Å
78F98.7Very high96.2Very high0 Ų040.1 Ų40.10%020%0.195CC..EExtended strand (participates in β ladder)trans-126.2128.4-170.6-56-91000112.6V7 V9 M72 I100 V109 P110 M111 V112V7-F78 HydrophobicContact CB-CD1 3.72Å; V7-F78 HydrophobicContact CB-CE1 3.78Å; V7-F78 HydrophobicContact CG1-CD1 4.24Å; V7-F78 HydrophobicContact CG1-CE1 4.27Å; V7-F78 HydrophobicContact CG2-CD1 4.39Å; V7-F78 HydrophobicContact CG2-CE1 3.98Å; V7-F78 CarbonylContact O-C 3.6Å; V7-F78 VanDerWaalsContact O-CA 3.31Å; V7-F78 WeakPolarHBondContact O-CA 2.84Å; V9-F78 HydrophobicContact CG1-CD1 4.44Å; M72-F78 HydrophobicContact CB-CE1 4.32Å; M72-F78 HydrophobicContact CB-CZ 4.46Å; M72-F78 HydrophobicContact CG-CE1 4.13Å; M72-F78 WeakPolarHBondContact O-CZ 3.46Å; F78-I100 HydrophobicContact CB-CD1 3.71Å; F78-I100 HydrophobicContact CD1-CD1 3.72Å; F78-I100 HydrophobicContact CD1-CG1 3.94Å; F78-I100 HydrophobicContact CD2-CD1 4.16Å; F78-I100 HydrophobicContact CD2-CG1 4.38Å; F78-I100 HydrophobicContact CD2-CG2 3.64Å; F78-I100 HydrophobicContact CE1-CD1 4.49Å; F78-I100 HydrophobicContact CE1-CG1 4.21Å; F78-I100 HydrophobicContact CE2-CG2 3.65Å; F78-I100 HydrophobicContact CG-CD1 3.56Å; F78-I100 HydrophobicContact CG-CG1 4.06Å; F78-I100 HydrophobicContact CG-CG2 4.17Å; F78-I100 HydrophobicContact CZ-CG2 4.18Å; F78-V109 HydrophobicContact CD2-CG1 3.77Å; F78-V109 HydrophobicContact CE2-CG1 3.7Å; F78-P110 PolarHBondContact N-O 2.63Å; F78-M111 HydrophobicContact CB-CG 4.17Å; F78-M111 HydrophobicContact CD2-CG 4.49Å; F78-M111 CarbonylContact O-C 3.57Å; F78-M111 WeakPolarHBondContact O-CA 3.39Å; F78-V112 PolarHBondContact O-N 3.26Å
79L98.8Very high96.7Very high0 Ų039 Ų390%019%0.191CC..EExtended strand (participates in β ladder)trans-87.6117.4161.4-67.9-171.3000108.5V7 V8 V9 V81 V112 V114 A155 F156 L159V7-L79 PolarHBondContact O-N 3.4Å; V8-L79 HydrophobicContact CG1-CB 4.27Å; V9-L79 WeakPolarHBondContact CG2-O 3.43Å; V9-L79 PolarHBondContact N-O 2.97Å; L79-V81 HydrophobicContact CB-CG2 4.2Å; L79-V112 HydrophobicContact CD2-CB 3.7Å; L79-V112 HydrophobicContact CD2-CG1 4.27Å; L79-V112 HydrophobicContact CD2-CG2 4.35Å; L79-V114 HydrophobicContact CB-CG2 4.36Å; L79-V114 HydrophobicContact CD2-CG2 3.97Å; L79-A155 HydrophobicContact CD1-CB 4.46Å; L79-F156 HydrophobicContact CD1-CD1 3.65Å; L79-F156 HydrophobicContact CD1-CD2 3.99Å; L79-F156 HydrophobicContact CD1-CE1 3.52Å; L79-F156 HydrophobicContact CD1-CE2 3.9Å; L79-F156 HydrophobicContact CD1-CG 3.89Å; L79-F156 HydrophobicContact CD1-CZ 3.66Å; L79-L159 HydrophobicContact CD2-CB 3.93Å; L79-L159 HydrophobicContact CD2-CD2 3.8Å; L79-L159 HydrophobicContact CD2-CG 4.38Å; L79-L159 HydrophobicContact CG-CD2 3.83Å
80C98.6Very high97Very high1 Ų138 Ų381%0.00718%0.184CC..EExtended strand (participates in β ladder)trans-95.898175.8-67.60000108.8I93 V112 L113 V114C80-I93 HydrophobicContact CB-CD1 4.24Å; C80-I93 HydrophobicContact CB-CG2 4.36Å; C80-V112 PolarHBondContact N-O 3Å; C80-L113 HydrophobicContact CB-CD1 4.38Å; C80-V114 PolarHBondContact O-N 2.9Å
81V98.8Very high97.3Very high0 Ų035.4 Ų35.40%018%0.184CC..EExtended strand (participates in β ladder)trans-98.7128.5-170.1-168.70000111.3V8 V9 G10 V14 K16 L19 L79 V114 N116V8-V81 HydrophobicContact CG1-CG2 3.57Å; V9-V81 PolarHBondContact O-N 2.87Å; G10-V81 WeakPolarHBondContact CA-O 3.4Å; V14-V81 HydrophobicContact CB-CG1 4.31Å; V14-V81 HydrophobicContact CG2-CB 4Å; V14-V81 HydrophobicContact CG2-CG1 3.85Å; K16-V81 HydrophobicContact CG-CB 4.25Å; K16-V81 HydrophobicContact CG-CG2 4.38Å; L19-V81 HydrophobicContact CD1-CG1 3.86Å; L19-V81 HydrophobicContact CD1-CG2 4.19Å; L79-V81 HydrophobicContact CB-CG2 4.2Å; V81-V114 WeakPolarHBondContact CA-O 3.49Å; V81-V114 HydrophobicContact CB-CB 4.48Å; V81-V114 HydrophobicContact CG1-CB 4.43Å; V81-V114 HydrophobicContact CG1-CG1 4.29Å; V81-V114 HydrophobicContact CG2-CB 4.15Å; V81-N116 HydrophobicContact CG1-CB 3.93Å
82F98.8Very high97.6Very high0 Ų036.3 Ų36.30%019%0.189CC..EExtended strand (participates in β ladder)trans-122.4167.7163.772.8-81.5000109.7I84 F90 I93 L113 V114 G115 N116 V125 A130 F141F82-I84 HydrophobicContact CE2-CG2 4.1Å; F82-F90 HydrophobicContact CB-CB 4.36Å; F82-F90 AromaticContact CD1-CD2 3.86Å; F82-F90 HydrophobicContact CD1-CD2 3.86Å; F82-F90 HydrophobicContact CD2-CB 3.75Å; F82-F90 AromaticContact CD2-CD2 3.73Å; F82-F90 HydrophobicContact CD2-CD2 3.73Å; F82-F90 HydrophobicContact CD2-CG 4.17Å; F82-F90 AromaticContact CE1-CD2 3.77Å; F82-F90 HydrophobicContact CE1-CD2 3.77Å; F82-F90 HydrophobicContact CE1-CE2 4.09Å; F82-F90 HydrophobicContact CE2-CB 4.28Å; F82-F90 AromaticContact CE2-CD2 3.65Å; F82-F90 HydrophobicContact CE2-CD2 3.65Å; F82-F90 HydrophobicContact CE2-CE2 4.38Å; F82-F90 HydrophobicContact CE2-CG 4.28Å; F82-F90 HydrophobicContact CG-CB 4.12Å; F82-F90 AromaticContact CG-CD2 3.84Å; F82-F90 HydrophobicContact CG-CD2 3.84Å; F82-F90 HydrophobicContact CG-CG 4.5Å; F82-F90 AromaticContact CZ-CD2 3.67Å; F82-F90 HydrophobicContact CZ-CD2 3.67Å; F82-F90 HydrophobicContact CZ-CE2 4.01Å; F82-I93 HydrophobicContact CB-CD1 4.04Å; F82-I93 HydrophobicContact CB-CG1 4.06Å; F82-I93 HydrophobicContact CD1-CG1 4.36Å; F82-L113 HydrophobicContact CD1-CD1 3.93Å; F82-L113 HydrophobicContact CD1-CG 4.37Å; F82-L113 HydrophobicContact CE1-CD1 4.04Å; F82-L113 HydrophobicContact CE1-CD2 4.25Å; F82-L113 HydrophobicContact CE1-CG 4Å; F82-V114 WeakPolarHBondContact CD1-O 3.34Å; F82-V114 PolarHBondContact N-O 3.21Å; F82-G115 VanDerWaalsContact CE1-CA 3.44Å; F82-G115 VanDerWaalsContact CZ-CA 3.49Å; F82-N116 PolarHBondContact O-N 2.9Å; F82-V125 HydrophobicContact CD2-CG2 4.5Å; F82-V125 HydrophobicContact CE2-CB 4.03Å; F82-V125 HydrophobicContact CE2-CG1 3.8Å; F82-V125 HydrophobicContact CE2-CG2 4.27Å; F82-V125 HydrophobicContact CZ-CG1 4.3Å; F82-A130 HydrophobicContact CE1-CB 4.32Å; F82-A130 HydrophobicContact CZ-CB 3.76Å; F82-F141 AromaticContact CE1-CE2 3.96Å; F82-F141 HydrophobicContact CE1-CE2 3.96Å; F82-F141 HydrophobicContact CZ-CE2 4.06Å; F82-F141 HydrophobicContact CZ-CZ 4.46Å
83A98.6Very high97.8Very high1 Ų136.2 Ų36.21%0.00819%0.189CC..EExtended strand (participates in β ladder)trans-103.5131.917100000110.3V14 N85 N86 S89 N116 K117V14-A83 HydrophobicContact CB-CB 4.37Å; V14-A83 HydrophobicContact CG1-CB 4.48Å; A83-N85 WeakPolarHBondContact CB-OD1 3.36Å; A83-N85 PolarHBondContact O-N 2.98Å; A83-N85 VanDerWaalsContact O-N 3.08Å; A83-N86 HydrophobicContact CB-CB 4.21Å; A83-N86 PolarHBondContact O-N 3.38Å; A83-S89 PolarHBondContact N-OG 2.82Å; A83-S89 VanDerWaalsContact N-OG 3.08Å; A83-N116 WeakPolarHBondContact CA-O 3.4Å; A83-K117 HydrophobicContact CB-CD 3.95Å; A83-K117 HydrophobicContact CB-CG 4.24Å
84I98.6Very high97.9Very high0 Ų031.6 Ų31.60%018%0.178CC..THydrogen-bonded Turntrans-62.5-18.5-177.260.1122.2000113.9F82 N116 K117 R123 T124 V125F82-I84 HydrophobicContact CE2-CG2 4.1Å; I84-N116 WeakPolarHBondContact CG1-O 3.34Å; I84-N116 PolarHBondContact N-O 2.98Å; I84-K117 VanDerWaalsContact CD1-O 3.32Å; I84-K117 WeakPolarHBondContact CD1-O 3.46Å; I84-K117 HydrophobicContact CG1-CB 4.46Å; I84-K117 VanDerWaalsContact CG1-O 3.23Å; I84-K117 WeakPolarHBondContact CG1-O 3.26Å; I84-R123 HydrophobicContact CD1-CB 3.89Å; I84-R123 HydrophobicContact CD1-CG 4.11Å; I84-T124 PolarHBondContact O-N 3.32Å; I84-T124 PolarHBondContact O-OG1 2.9Å; I84-V125 PolarHBondContact O-N 3.36Å
85N98.4Very high98.1Very high49 Ų4932.4 Ų32.426%0.26218%0.178SC..THydrogen-bonded Turntrans-96.510.8174.971.7-29.9000113.6A83 L120 T122 T124A83-N85 WeakPolarHBondContact CB-OD1 3.36Å; A83-N85 PolarHBondContact O-N 2.98Å; A83-N85 VanDerWaalsContact O-N 3.08Å; N85-L120 VanDerWaalsContact ND2-CD1 3.33Å; N85-L120 WeakPolarHBondContact ND2-CD1 3.46Å; N85-T122 WeakPolarHBondContact CA-O 3.29Å; N85-T122 WeakPolarHBondContact CB-O 3.43Å; N85-T124 WeakPolarHBondContact CA-OG1 3.11Å; N85-T124 PolarHBondContact O-OG1 3.27Å
86N98.1Very high98Very high63 Ų6332.7 Ų32.734%0.33718%0.179SC..  trans-136.393.7179.7-177.6-16.6000111.7A83 K88 S89 F90 T124A83-N86 HydrophobicContact CB-CB 4.21Å; A83-N86 PolarHBondContact O-N 3.38Å; N86-K88 VanDerWaalsContact C-N 3.28Å; N86-K88 PolarHBondContact O-N 3.29Å; N86-K88 WeakPolarHBondContact OD1-CB 3.01Å; N86-K88 PolarHBondContact OD1-N 3.49Å; N86-K88 VanDerWaalsContact OD1-N 3.13Å; N86-S89 WeakPolarHBondContact CB-OG 3.43Å; N86-S89 PolarHBondContact O-N 2.76Å; N86-S89 VanDerWaalsContact O-N 3.12Å; N86-S89 PolarHBondContact O-OG 3.07Å; N86-S89 PolarHBondContact OD1-N 3.44Å; N86-F90 PolarHBondContact O-N 3.3Å; N86-T124 PolarHBondContact N-OG1 2.88Å
87S98.1Very high98Very high62 Ų6230.9 Ų30.943%0.43417%0.17SC..Hα-helixtrans-60-31.4179.1-45.90000114F90 A91 T124S87-F90 PolarHBondContact O-N 2.95Å; S87-A91 PolarHBondContact O-N 3.42Å; S87-T124 PolarHBondContact N-OG1 3.28Å; S87-T124 WeakPolarHBondContact OG-CB 2.95Å; S87-T124 PolarHBondContact OG-O 3.38Å; S87-T124 PolarHBondContact OG-OG1 3.27Å
88K97.8Very high97.9Very high122 Ų12235 Ų3553%0.5319%0.189SC..Hα-helixtrans-64-45.4174.6171167170.143.70110.8N86 F90 A91 D92N86-K88 VanDerWaalsContact C-N 3.28Å; N86-K88 PolarHBondContact O-N 3.29Å; N86-K88 WeakPolarHBondContact OD1-CB 3.01Å; N86-K88 PolarHBondContact OD1-N 3.49Å; N86-K88 VanDerWaalsContact OD1-N 3.13Å; K88-F90 PolarHBondContact O-N 3.3Å; K88-A91 PolarHBondContact O-N 2.91Å; K88-A91 VanDerWaalsContact O-N 3.12Å; K88-D92 WeakPolarHBondContact CG-OD2 3.41Å; K88-D92 IonicContact NZ-OD1 3.94Å; K88-D92 PolarHBondContact NZ-OD1 3.36Å; K88-D92 IonicContact NZ-OD2 3.04Å; K88-D92 PolarHBondContact NZ-OD2 2.91Å; K88-D92 VanDerWaalsContact O-CG 3.25Å; K88-D92 PolarHBondContact O-N 3.06Å
89S98.1Very high97.7Very high1 Ų136 Ų361%0.00719%0.193CC..Hα-helixtrans-61.2-30.9178.674.40000112.9A83 N86A83-S89 PolarHBondContact N-OG 2.82Å; A83-S89 VanDerWaalsContact N-OG 3.08Å; N86-S89 WeakPolarHBondContact CB-OG 3.43Å; N86-S89 PolarHBondContact O-N 2.76Å; N86-S89 VanDerWaalsContact O-N 3.12Å; N86-S89 PolarHBondContact O-OG 3.07Å; N86-S89 PolarHBondContact OD1-N 3.44Å
90F98.6Very high97.6Very high34 Ų3436 Ų3615%0.14919%0.193CC..Hα-helixtrans-71.6-43.9173.9179.7-110.6000112.3F82 N86 S87 K88 D92 I93 L113 V125 A130 L133F82-F90 HydrophobicContact CB-CB 4.36Å; F82-F90 AromaticContact CD1-CD2 3.86Å; F82-F90 HydrophobicContact CD1-CD2 3.86Å; F82-F90 HydrophobicContact CD2-CB 3.75Å; F82-F90 AromaticContact CD2-CD2 3.73Å; F82-F90 HydrophobicContact CD2-CD2 3.73Å; F82-F90 HydrophobicContact CD2-CG 4.17Å; F82-F90 AromaticContact CE1-CD2 3.77Å; F82-F90 HydrophobicContact CE1-CD2 3.77Å; F82-F90 HydrophobicContact CE1-CE2 4.09Å; F82-F90 HydrophobicContact CE2-CB 4.28Å; F82-F90 AromaticContact CE2-CD2 3.65Å; F82-F90 HydrophobicContact CE2-CD2 3.65Å; F82-F90 HydrophobicContact CE2-CE2 4.38Å; F82-F90 HydrophobicContact CE2-CG 4.28Å; F82-F90 HydrophobicContact CG-CB 4.12Å; F82-F90 AromaticContact CG-CD2 3.84Å; F82-F90 HydrophobicContact CG-CD2 3.84Å; F82-F90 HydrophobicContact CG-CG 4.5Å; F82-F90 AromaticContact CZ-CD2 3.67Å; F82-F90 HydrophobicContact CZ-CD2 3.67Å; F82-F90 HydrophobicContact CZ-CE2 4.01Å; N86-F90 PolarHBondContact O-N 3.3Å; S87-F90 PolarHBondContact O-N 2.95Å; K88-F90 PolarHBondContact O-N 3.3Å; F90-D92 VanDerWaalsContact C-N 3.29Å; F90-D92 PolarHBondContact O-N 3.46Å; F90-I93 WeakPolarHBondContact O-CB 3.27Å; F90-I93 WeakPolarHBondContact O-CG1 3.43Å; F90-I93 PolarHBondContact O-N 2.94Å; F90-L113 HydrophobicContact CE2-CD2 4.5Å; F90-V125 HydrophobicContact CB-CG1 4.33Å; F90-V125 HydrophobicContact CB-CG2 3.74Å; F90-V125 HydrophobicContact CD1-CG1 3.86Å; F90-V125 HydrophobicContact CD1-CG2 4.34Å; F90-V125 HydrophobicContact CD2-CG1 3.86Å; F90-V125 HydrophobicContact CE1-CG1 4.06Å; F90-V125 HydrophobicContact CE2-CG1 4.05Å; F90-V125 HydrophobicContact CG-CG1 3.75Å; F90-V125 HydrophobicContact CG-CG2 4.06Å; F90-V125 HydrophobicContact CZ-CG1 4.14Å; F90-A130 HydrophobicContact CE2-CB 3.89Å; F90-A130 HydrophobicContact CZ-CB 4.34Å; F90-L133 HydrophobicContact CD2-CD2 4.28Å; F90-L133 HydrophobicContact CE1-CD2 4.23Å; F90-L133 HydrophobicContact CE2-CB 4.37Å; F90-L133 HydrophobicContact CE2-CD2 3.48Å; F90-L133 VanDerWaalsContact CE2-CD2 3.48Å; F90-L133 HydrophobicContact CZ-CB 3.92Å; F90-L133 HydrophobicContact CZ-CD2 3.46Å; F90-L133 VanDerWaalsContact CZ-CD2 3.46Å; F90-L133 HydrophobicContact CZ-CG 4.3Å
91A97.9Very high97.6Very high69 Ų6937.6 Ų37.657%0.5720%0.2SC*.Hα-helixtrans-61.4-38175.100000112.2S87 K88 I93S87-A91 PolarHBondContact O-N 3.42Å; K88-A91 PolarHBondContact O-N 2.91Å; K88-A91 VanDerWaalsContact O-N 3.12Å; A91-I93 PolarHBondContact O-N 2.73Å
92D97.2Very high97.5Very high38 Ų3845.3 Ų45.320%0.20323%0.229CC..THydrogen-bonded Turntrans-67.7-14.9-179.4-66.6-20.4000112.9K88 F90 N94 L95 Y96K88-D92 WeakPolarHBondContact CG-OD2 3.41Å; K88-D92 IonicContact NZ-OD1 3.94Å; K88-D92 PolarHBondContact NZ-OD1 3.36Å; K88-D92 IonicContact NZ-OD2 3.04Å; K88-D92 PolarHBondContact NZ-OD2 2.91Å; K88-D92 VanDerWaalsContact O-CG 3.25Å; K88-D92 PolarHBondContact O-N 3.06Å; F90-D92 VanDerWaalsContact C-N 3.29Å; F90-D92 PolarHBondContact O-N 3.46Å; D92-N94 PolarHBondContact O-N 3.31Å; D92-L95 WeakPolarHBondContact O-CB 3.37Å; D92-L95 PolarHBondContact O-N 3.47Å; D92-Y96 HydrophobicContact CB-CE2 4.34Å; D92-Y96 VanDerWaalsContact O-CD2 3.24Å; D92-Y96 WeakPolarHBondContact O-CD2 3.33Å; D92-Y96 PolarHBondContact O-N 2.89Å
93I98.1Very high97.4Very high1 Ų146.7 Ų46.71%0.00524%0.238CC..Hα-helixtrans-56.3-37.7178.2-68.2-58.7000112.4C80 F82 F90 A91 L95 Y96 R97 L113 Y137C80-I93 HydrophobicContact CB-CD1 4.24Å; C80-I93 HydrophobicContact CB-CG2 4.36Å; F82-I93 HydrophobicContact CB-CD1 4.04Å; F82-I93 HydrophobicContact CB-CG1 4.06Å; F82-I93 HydrophobicContact CD1-CG1 4.36Å; F90-I93 WeakPolarHBondContact O-CB 3.27Å; F90-I93 WeakPolarHBondContact O-CG1 3.43Å; F90-I93 PolarHBondContact O-N 2.94Å; A91-I93 PolarHBondContact O-N 2.73Å; I93-L95 VanDerWaalsContact C-N 3.26Å; I93-L95 PolarHBondContact O-N 3.17Å; I93-Y96 PolarHBondContact O-N 3.2Å; I93-R97 PolarHBondContact O-N 2.63Å; I93-L113 HydrophobicContact CD1-CD1 4.33Å; I93-L113 HydrophobicContact CG1-CD1 4.09Å; I93-L113 HydrophobicContact CG2-CD1 3.77Å; I93-Y137 HydrophobicContact CG2-CE2 4.12Å
94N97.3Very high97.2Very high79 Ų7949.5 Ų49.542%0.42225%0.25SC..Hα-helixtrans-60.6-37.9179-172.761.8000111.6D92 Y96 R97 E98 Y137D92-N94 PolarHBondContact O-N 3.31Å; N94-Y96 PolarHBondContact O-N 3.01Å; N94-R97 PolarHBondContact O-N 2.74Å; N94-E98 WeakPolarHBondContact O-CB 3.19Å; N94-E98 WeakPolarHBondContact O-CG 3.1Å; N94-E98 PolarHBondContact O-N 3.23Å; N94-Y137 WeakPolarHBondContact CB-OH 3.48Å; N94-Y137 PolarHBondContact OD1-OH 2.96Å; N94-Y137 VanDerWaalsContact OD1-OH 3.07Å
95L95.5Very high97.1Very high98 Ų9857 Ų5751%0.51329%0.29SS..Hα-helixtrans-61.5-46.6177.1177.965.9000111.4D92 I93 Q99D92-L95 WeakPolarHBondContact O-CB 3.37Å; D92-L95 PolarHBondContact O-N 3.47Å; I93-L95 VanDerWaalsContact C-N 3.26Å; I93-L95 PolarHBondContact O-N 3.17Å; L95-Q99 WeakPolarHBondContact O-CB 3.25Å; L95-Q99 PolarHBondContact O-N 2.93Å; L95-Q99 VanDerWaalsContact O-N 3.08Å
96Y96.1Very high97Very high7 Ų756.3 Ų56.33%0.02729%0.289CS..Hα-helixtrans-64.2-43.9178.2-68.9-81.1000111.7V9 G10 A11 G60 R68 D92 I93 N94 Q99 I100V9-Y96 HydrophobicContact CB-CD1 3.91Å; V9-Y96 HydrophobicContact CB-CE1 4.46Å; V9-Y96 HydrophobicContact CB-CG 4.48Å; V9-Y96 HydrophobicContact CG2-CD1 4.29Å; V9-Y96 HydrophobicContact CG2-CG 4.4Å; G10-Y96 VanDerWaalsContact C-OH 3.22Å; G10-Y96 PolarHBondContact O-OH 3.49Å; A11-Y96 WeakPolarHBondContact CA-OH 3.31Å; A11-Y96 PolarHBondContact N-OH 3.46Å; G60-Y96 PolarHBondContact O-OH 2.66Å; R68-Y96 PolarHBondContact NH2-OH 2.65Å; D92-Y96 HydrophobicContact CB-CE2 4.34Å; D92-Y96 VanDerWaalsContact O-CD2 3.24Å; D92-Y96 WeakPolarHBondContact O-CD2 3.33Å; D92-Y96 PolarHBondContact O-N 2.89Å; I93-Y96 PolarHBondContact O-N 3.2Å; N94-Y96 PolarHBondContact O-N 3.01Å; Y96-Q99 PolarHBondContact O-N 3.39Å; Y96-I100 WeakPolarHBondContact O-CD1 3.33Å; Y96-I100 VanDerWaalsContact O-CG1 3.26Å; Y96-I100 WeakPolarHBondContact O-CG1 3.36Å; Y96-I100 PolarHBondContact O-N 3.41Å
97R97.1Very high96.8Very high23 Ų2359.3 Ų59.39%0.08731%0.305CS..Hα-helixtrans-60.4-51.4178.6176.7176.9173.587.3-7.8111.8I93 N94 Q99 I100 K101 M111 Y137I93-R97 PolarHBondContact O-N 2.63Å; N94-R97 PolarHBondContact O-N 2.74Å; R97-Q99 VanDerWaalsContact C-N 3.27Å; R97-Q99 PolarHBondContact O-N 3.12Å; R97-I100 WeakPolarHBondContact O-CB 3.48Å; R97-I100 PolarHBondContact O-N 3.04Å; R97-I100 VanDerWaalsContact O-N 3.17Å; R97-K101 HydrophobicContact CG-CD 4.13Å; R97-K101 HydrophobicContact CG-CG 4.5Å; R97-K101 WeakPolarHBondContact O-CG 3.34Å; R97-K101 PolarHBondContact O-N 2.97Å; R97-M111 HydrophobicContact CG-CE 4.12Å; R97-M111 HydrophobicContact CG-SD 4.09Å; R97-Y137 PolarHBondContact NH2-O 3.08Å
98E96.4Very high96.6Very high86 Ų8660 Ų6040%0.40230%0.304SS..Hα-helixtrans-64.1-35.8-178.6-69.5-54.2118.200111.6N94 K101 R102N94-E98 WeakPolarHBondContact O-CB 3.19Å; N94-E98 WeakPolarHBondContact O-CG 3.1Å; N94-E98 PolarHBondContact O-N 3.23Å; E98-K101 PolarHBondContact O-N 3.39Å; E98-K101 IonicContact OE1-NZ 2.73Å; E98-R102 WeakPolarHBondContact O-CB 3.09Å; E98-R102 PolarHBondContact O-N 2.85Å
99Q95.2Very high96.6Very high21 Ų2154.7 Ų54.710%0.09828%0.282CS..Hα-helixtrans-64.3-43.9173.3-163.6178.81.200112R68 D69 M72 L95 Y96 R97 R102 V103R68-Q99 VanDerWaalsContact CB-NE2 3.34Å; R68-Q99 VanDerWaalsContact CD-OE1 3.25Å; D69-Q99 PolarHBondContact OD1-NE2 3.21Å; M72-Q99 HydrophobicContact CE-CB 3.92Å; M72-Q99 HydrophobicContact CE-CG 3.91Å; M72-Q99 HydrophobicContact SD-CB 3.85Å; M72-Q99 HydrophobicContact SD-CG 3.5Å; M72-Q99 WeakPolarHBondContact SD-CG 3.3Å; L95-Q99 WeakPolarHBondContact O-CB 3.25Å; L95-Q99 PolarHBondContact O-N 2.93Å; L95-Q99 VanDerWaalsContact O-N 3.08Å; Y96-Q99 PolarHBondContact O-N 3.39Å; R97-Q99 VanDerWaalsContact C-N 3.27Å; R97-Q99 PolarHBondContact O-N 3.12Å; Q99-R102 PolarHBondContact O-N 2.74Å; Q99-V103 VanDerWaalsContact O-CG2 3.29Å; Q99-V103 WeakPolarHBondContact O-CG2 3.48Å; Q99-V103 PolarHBondContact O-N 3Å
100I97.3Very high96.7Very high0 Ų055 Ų550%028%0.284CS..Hα-helixtrans-58-51.6175.7-72160.6000110.4V9 M72 F78 Y96 R97 R102 V103 K104 V109 M111V9-I100 HydrophobicContact CG2-CD1 4.08Å; M72-I100 HydrophobicContact CE-CG1 3.89Å; M72-I100 HydrophobicContact CG-CG1 3.88Å; M72-I100 HydrophobicContact SD-CB 4.49Å; M72-I100 HydrophobicContact SD-CG1 3.84Å; F78-I100 HydrophobicContact CB-CD1 3.71Å; F78-I100 HydrophobicContact CD1-CD1 3.72Å; F78-I100 HydrophobicContact CD1-CG1 3.94Å; F78-I100 HydrophobicContact CD2-CD1 4.16Å; F78-I100 HydrophobicContact CD2-CG1 4.38Å; F78-I100 HydrophobicContact CD2-CG2 3.64Å; F78-I100 HydrophobicContact CE1-CD1 4.49Å; F78-I100 HydrophobicContact CE1-CG1 4.21Å; F78-I100 HydrophobicContact CE2-CG2 3.65Å; F78-I100 HydrophobicContact CG-CD1 3.56Å; F78-I100 HydrophobicContact CG-CG1 4.06Å; F78-I100 HydrophobicContact CG-CG2 4.17Å; F78-I100 HydrophobicContact CZ-CG2 4.18Å; Y96-I100 WeakPolarHBondContact O-CD1 3.33Å; Y96-I100 VanDerWaalsContact O-CG1 3.26Å; Y96-I100 WeakPolarHBondContact O-CG1 3.36Å; Y96-I100 PolarHBondContact O-N 3.41Å; R97-I100 WeakPolarHBondContact O-CB 3.48Å; R97-I100 PolarHBondContact O-N 3.04Å; R97-I100 VanDerWaalsContact O-N 3.17Å; I100-R102 VanDerWaalsContact C-N 3.32Å; I100-R102 PolarHBondContact O-N 2.9Å; I100-V103 PolarHBondContact O-N 3.38Å; I100-K104 HydrophobicContact CG2-CG 4.24Å; I100-K104 WeakPolarHBondContact O-CB 3.48Å; I100-K104 WeakPolarHBondContact O-CG 3.46Å; I100-K104 PolarHBondContact O-N 3.49Å; I100-V109 HydrophobicContact CG2-CB 4.29Å; I100-V109 HydrophobicContact CG2-CG1 3.69Å; I100-V109 HydrophobicContact CG2-CG2 4.48Å; I100-M111 HydrophobicContact CD1-SD 4.37Å; I100-M111 HydrophobicContact CG2-CE 4.05Å
101K97.2Very high96.7Very high35 Ų3553.4 Ų53.415%0.15228%0.277CS..Hα-helixtrans-58.3-45.2-179.1-68.7177.274.3-151.10111.6R97 E98 K104 D105 S106 D107 M111R97-K101 HydrophobicContact CG-CD 4.13Å; R97-K101 HydrophobicContact CG-CG 4.5Å; R97-K101 WeakPolarHBondContact O-CG 3.34Å; R97-K101 PolarHBondContact O-N 2.97Å; E98-K101 PolarHBondContact O-N 3.39Å; E98-K101 IonicContact OE1-NZ 2.73Å; K101-K104 PolarHBondContact O-N 3.21Å; K101-D105 WeakPolarHBondContact O-CA 3.4Å; K101-D105 PolarHBondContact O-N 2.87Å; K101-S106 WeakPolarHBondContact CA-O 3.3Å; K101-S106 PolarHBondContact O-N 3.34Å; K101-D107 WeakPolarHBondContact CE-OD1 3.49Å; K101-D107 IonicContact NZ-OD1 3.97Å; K101-D107 PolarHBondContact NZ-OD1 3.38Å; K101-M111 HydrophobicContact CG-CE 4.13Å
102R96.7Very high96.7Very high162 Ų16250.1 Ų50.161%0.61125%0.25SC*.Hα-helixtrans-60-46.4176.4-175.7-172.471.4-166.74112.2D69 E98 Q99 I100 K104 D105D69-R102 IonicContact OD1-NH2 3.79Å; D69-R102 PolarHBondContact OD1-NH2 2.9Å; D69-R102 IonicContact OD2-NH2 3.94Å; E98-R102 WeakPolarHBondContact O-CB 3.09Å; E98-R102 PolarHBondContact O-N 2.85Å; Q99-R102 PolarHBondContact O-N 2.74Å; I100-R102 VanDerWaalsContact C-N 3.32Å; I100-R102 PolarHBondContact O-N 2.9Å; R102-K104 VanDerWaalsContact C-N 3.35Å; R102-D105 PolarHBondContact O-N 2.97Å
103V96.4Very high96.8Very high29 Ų2948.3 Ų48.318%0.17624%0.24CC..Hα-helixtrans-70.6-33.2-178.5173.20000111.8D69 M72 R73 Q99 I100 D105D69-V103 HydrophobicContact CB-CG2 4.04Å; D69-V103 WeakPolarHBondContact O-CG1 3.42Å; D69-V103 WeakPolarHBondContact OD1-CG2 3.18Å; M72-V103 HydrophobicContact CB-CB 3.88Å; M72-V103 HydrophobicContact CB-CG1 3.68Å; M72-V103 HydrophobicContact CB-CG2 4.17Å; M72-V103 HydrophobicContact SD-CG2 4.27Å; R73-V103 HydrophobicContact CB-CG1 3.99Å; Q99-V103 VanDerWaalsContact O-CG2 3.29Å; Q99-V103 WeakPolarHBondContact O-CG2 3.48Å; Q99-V103 PolarHBondContact O-N 3Å; I100-V103 PolarHBondContact O-N 3.38Å; V103-D105 VanDerWaalsContact C-N 3.34Å
104K96.2Very high96.8Very high60 Ų6048.2 Ų48.226%0.26124%0.24SC..Hα-helixtrans-80.9-13.4176.2-70.9-54.3-163.1-172.80114.3M72 R73 G75 I100 K101 R102 S106 V109M72-K104 WeakPolarHBondContact O-CE 3.39Å; M72-K104 PolarHBondContact O-NZ 3.09Å; R73-K104 PolarHBondContact O-NZ 2.81Å; G75-K104 WeakPolarHBondContact O-CE 3.42Å; G75-K104 PolarHBondContact O-NZ 3.18Å; I100-K104 HydrophobicContact CG2-CG 4.24Å; I100-K104 WeakPolarHBondContact O-CB 3.48Å; I100-K104 WeakPolarHBondContact O-CG 3.46Å; I100-K104 PolarHBondContact O-N 3.49Å; K101-K104 PolarHBondContact O-N 3.21Å; R102-K104 VanDerWaalsContact C-N 3.35Å; K104-S106 PolarHBondContact O-N 2.87Å; K104-V109 HydrophobicContact CB-CG2 3.66Å; K104-V109 HydrophobicContact CG-CG1 4.03Å; K104-V109 HydrophobicContact CG-CG2 3.88Å
105D96.3Very high96.9Very high157 Ų15744.5 Ų44.584%0.8422%0.219SC*.THydrogen-bonded Turntrans49.446.3-171.2-164.931.9000111.4K101 R102 V103K101-D105 WeakPolarHBondContact O-CA 3.4Å; K101-D105 PolarHBondContact O-N 2.87Å; R102-D105 PolarHBondContact O-N 2.97Å; V103-D105 VanDerWaalsContact C-N 3.34Å
106S95.2Very high97.1Very high36 Ų3640 Ų4025%0.25220%0.196SC..  trans-156.6139.5-174.3-165.70000112.6K101 K104 D108 V109K101-S106 WeakPolarHBondContact CA-O 3.3Å; K101-S106 PolarHBondContact O-N 3.34Å; K104-S106 PolarHBondContact O-N 2.87Å; S106-D108 PolarHBondContact OG-N 2.89Å; S106-D108 PolarHBondContact OG-O 3.02Å; S106-V109 WeakPolarHBondContact O-CG2 3.43Å
107D94.1Very high97.2Very high125 Ų12542.4 Ų42.467%0.66821%0.207SC*.SBendtrans-81.8-25170.7-71.4-45.2000113.1K101K101-D107 WeakPolarHBondContact CE-OD1 3.49Å; K101-D107 IonicContact NZ-OD1 3.97Å; K101-D107 PolarHBondContact NZ-OD1 3.38Å
108D94.5Very high97.2Very high78 Ų7842.5 Ų42.542%0.41721%0.21SC..  trans-100.385.1179.4-170.422.5000108.9S106 Y166S106-D108 PolarHBondContact OG-N 2.89Å; S106-D108 PolarHBondContact OG-O 3.02Å; D108-Y166 HydrophobicContact CB-CE2 4.29Å; D108-Y166 WeakPolarHBondContact O-CE2 3.03Å
109V97.8Very high97.3Very high9 Ų941 Ų416%0.05521%0.205CC..  trans-119.3128.3177.1-177.90000108.4F78 I100 K104 S106 M111F78-V109 HydrophobicContact CD2-CG1 3.77Å; F78-V109 HydrophobicContact CE2-CG1 3.7Å; I100-V109 HydrophobicContact CG2-CB 4.29Å; I100-V109 HydrophobicContact CG2-CG1 3.69Å; I100-V109 HydrophobicContact CG2-CG2 4.48Å; K104-V109 HydrophobicContact CB-CG2 3.66Å; K104-V109 HydrophobicContact CG-CG1 4.03Å; K104-V109 HydrophobicContact CG-CG2 3.88Å; S106-V109 WeakPolarHBondContact O-CG2 3.43Å; V109-M111 HydrophobicContact CB-CE 3.75Å; V109-M111 HydrophobicContact CG1-CE 4.28Å; V109-M111 WeakPolarHBondContact O-CG 3.47Å; V109-M111 PolarHBondContact O-N 2.79Å; V109-M111 VanDerWaalsContact O-N 3.14Å
110P98.6Very high97.3Very high7 Ų742.7 Ų42.75%0.04521%0.214CC..  trans-56.4118176.8-27.435.8000112G77 F78 L159 E162 I163 Y166G77-P110 CarbonylContact C-O 3.53Å; G77-P110 VanDerWaalsContact CA-O 3.23Å; G77-P110 WeakPolarHBondContact CA-O 3.4Å; F78-P110 PolarHBondContact N-O 2.63Å; P110-L159 HydrophobicContact CB-CD1 4.4Å; P110-E162 HydrophobicContact CB-CB 4.06Å; P110-I163 HydrophobicContact CB-CG1 3.71Å; P110-I163 HydrophobicContact CG-CG1 4.06Å; P110-Y166 HydrophobicContact CG-CD1 4.07Å; P110-Y166 HydrophobicContact CG-CD2 4.47Å; P110-Y166 HydrophobicContact CG-CG 3.81Å
111M98.8Very high97.3Very high1 Ų148.6 Ų48.61%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-143.4156.4177-56.8179.6-134.100110.9F78 R97 I100 K101 V109 I139 P140F78-M111 HydrophobicContact CB-CG 4.17Å; F78-M111 HydrophobicContact CD2-CG 4.49Å; F78-M111 CarbonylContact O-C 3.57Å; F78-M111 WeakPolarHBondContact O-CA 3.39Å; R97-M111 HydrophobicContact CG-CE 4.12Å; R97-M111 HydrophobicContact CG-SD 4.09Å; I100-M111 HydrophobicContact CD1-SD 4.37Å; I100-M111 HydrophobicContact CG2-CE 4.05Å; K101-M111 HydrophobicContact CG-CE 4.13Å; V109-M111 HydrophobicContact CB-CE 3.75Å; V109-M111 HydrophobicContact CG1-CE 4.28Å; V109-M111 WeakPolarHBondContact O-CG 3.47Å; V109-M111 PolarHBondContact O-N 2.79Å; V109-M111 VanDerWaalsContact O-N 3.14Å; M111-I139 HydrophobicContact CB-CD1 4.12Å; M111-I139 HydrophobicContact CB-CG2 4.12Å; M111-P140 WeakPolarHBondContact O-CD 3.33Å
112V98.9Very high97.2Very high0 Ų051.2 Ų51.20%027%0.272CS..EExtended strand (participates in β ladder)trans-132.3131.6166.5175.70000108.4F78 L79 C80 V114 P140 I142 T158 L159 E162F78-V112 PolarHBondContact O-N 3.26Å; L79-V112 HydrophobicContact CD2-CB 3.7Å; L79-V112 HydrophobicContact CD2-CG1 4.27Å; L79-V112 HydrophobicContact CD2-CG2 4.35Å; C80-V112 PolarHBondContact N-O 3Å; V112-V114 HydrophobicContact CG1-CG2 4.09Å; V112-P140 HydrophobicContact CG1-CB 4.35Å; V112-P140 HydrophobicContact CG2-CB 4.34Å; V112-P140 HydrophobicContact CG2-CG 4.35Å; V112-I142 HydrophobicContact CG1-CD1 4.18Å; V112-I142 HydrophobicContact CG1-CG1 4.31Å; V112-T158 HydrophobicContact CG2-CG2 3.91Å; V112-L159 HydrophobicContact CG2-CB 3.93Å; V112-L159 HydrophobicContact CG2-CD1 4.16Å; V112-E162 HydrophobicContact CG2-CG 4.45Å
113L98.9Very high97.2Very high0 Ų047.5 Ų47.50%026%0.258CS..EExtended strand (participates in β ladder)trans-79.8129170.5-176.164.7000109.3C80 F82 F90 I93 A130 L133 A134 I139 P140 F141 I142C80-L113 HydrophobicContact CB-CD1 4.38Å; F82-L113 HydrophobicContact CD1-CD1 3.93Å; F82-L113 HydrophobicContact CD1-CG 4.37Å; F82-L113 HydrophobicContact CE1-CD1 4.04Å; F82-L113 HydrophobicContact CE1-CD2 4.25Å; F82-L113 HydrophobicContact CE1-CG 4Å; F90-L113 HydrophobicContact CE2-CD2 4.5Å; I93-L113 HydrophobicContact CD1-CD1 4.33Å; I93-L113 HydrophobicContact CG1-CD1 4.09Å; I93-L113 HydrophobicContact CG2-CD1 3.77Å; L113-A130 WeakPolarHBondContact CD2-O 3.47Å; L113-L133 HydrophobicContact CD2-CD2 4.33Å; L113-A134 HydrophobicContact CB-CB 4.18Å; L113-A134 HydrophobicContact CD2-CB 3.86Å; L113-I139 HydrophobicContact CB-CD1 4.04Å; L113-I139 HydrophobicContact CB-CG1 4.46Å; L113-P140 PolarHBondContact N-O 3.38Å; L113-F141 HydrophobicContact CB-CD2 4.11Å; L113-F141 HydrophobicContact CD2-CD2 3.91Å; L113-F141 HydrophobicContact CD2-CE2 4.47Å; L113-F141 HydrophobicContact CG-CD2 3.87Å; L113-F141 HydrophobicContact CG-CE2 4.44Å; L113-F141 WeakPolarHBondContact O-CA 3.46Å; L113-F141 WeakPolarHBondContact O-CD2 3.39Å; L113-I142 PolarHBondContact O-N 2.95Å
114V98.9Very high97.3Very high0 Ų049.7 Ų49.70%027%0.271CS..EExtended strand (participates in β ladder)trans-122.7116.5-177-179.40000110.7L19 L79 C80 V81 F82 V112 I142 T144 A155L19-V114 HydrophobicContact CD1-CG1 4.01Å; L79-V114 HydrophobicContact CB-CG2 4.36Å; L79-V114 HydrophobicContact CD2-CG2 3.97Å; C80-V114 PolarHBondContact O-N 2.9Å; V81-V114 WeakPolarHBondContact CA-O 3.49Å; V81-V114 HydrophobicContact CB-CB 4.48Å; V81-V114 HydrophobicContact CG1-CB 4.43Å; V81-V114 HydrophobicContact CG1-CG1 4.29Å; V81-V114 HydrophobicContact CG2-CB 4.15Å; F82-V114 WeakPolarHBondContact CD1-O 3.34Å; F82-V114 PolarHBondContact N-O 3.21Å; V112-V114 HydrophobicContact CG1-CG2 4.09Å; V114-I142 WeakPolarHBondContact CA-O 3.44Å; V114-T144 HydrophobicContact CG1-CG2 3.65Å; V114-T144 WeakPolarHBondContact CG1-OG1 3.24Å; V114-A155 HydrophobicContact CG2-CB 4.08Å
115G98.9Very high97.4Very high0 Ų046.9 Ų46.90%026%0.259CS..EExtended strand (participates in β ladder)trans-94.792.4173.100000110.6F82 I142 E143 T144F82-G115 VanDerWaalsContact CE1-CA 3.44Å; F82-G115 VanDerWaalsContact CZ-CA 3.49Å; G115-I142 PolarHBondContact N-O 3.05Å; G115-E143 WeakPolarHBondContact O-CA 3.49Å; G115-T144 PolarHBondContact O-N 2.96Å
116N98.8Very high97.4Very high3 Ų343.7 Ų43.72%0.01624%0.242CC..EExtended strand (participates in β ladder)trans-83.3165.7-176-166.332.2000113V14 L19 V81 F82 A83 I84 T144 A146V14-N116 PolarHBondContact O-ND2 3.15Å; L19-N116 HydrophobicContact CD1-CB 4.24Å; V81-N116 HydrophobicContact CG1-CB 3.93Å; F82-N116 PolarHBondContact O-N 2.9Å; A83-N116 WeakPolarHBondContact CA-O 3.4Å; I84-N116 WeakPolarHBondContact CG1-O 3.34Å; I84-N116 PolarHBondContact N-O 2.98Å; N116-T144 CarbonylContact C-O 3.55Å; N116-T144 VanDerWaalsContact C-O 3.31Å; N116-T144 VanDerWaalsContact CA-O 3.27Å; N116-T144 WeakPolarHBondContact CA-O 3.24Å; N116-T144 WeakPolarHBondContact CA-OG1 3.34Å; N116-T144 PolarHBondContact OD1-O 2.99Å; N116-T144 PolarHBondContact OD1-OG1 2.83Å; N116-A146 PolarHBondContact OD1-N 3.08Å
117K98.1Very high97.5Very high59 Ų5944.7 Ų44.726%0.25725%0.247SC..  trans67.232.3-179.4-44.3-171.2-173.3-176.70113.3G13 A83 I84 D119 L120 T144G13-K117 WeakPolarHBondContact O-CE 3.37Å; G13-K117 PolarHBondContact O-NZ 3.28Å; A83-K117 HydrophobicContact CB-CD 3.95Å; A83-K117 HydrophobicContact CB-CG 4.24Å; I84-K117 VanDerWaalsContact CD1-O 3.32Å; I84-K117 WeakPolarHBondContact CD1-O 3.46Å; I84-K117 HydrophobicContact CG1-CB 4.46Å; I84-K117 VanDerWaalsContact CG1-O 3.23Å; I84-K117 WeakPolarHBondContact CG1-O 3.26Å; K117-D119 WeakPolarHBondContact CA-OD1 3.47Å; K117-D119 PolarHBondContact O-N 2.86Å; K117-D119 VanDerWaalsContact O-N 3.08Å; K117-L120 HydrophobicContact CB-CD1 3.81Å; K117-L120 HydrophobicContact CB-CG 4.09Å; K117-L120 HydrophobicContact CD-CD1 3.92Å; K117-L120 HydrophobicContact CG-CD1 4.47Å; K117-L120 WeakPolarHBondContact O-CB 3.36Å; K117-L120 PolarHBondContact O-N 2.93Å; K117-T144 PolarHBondContact N-O 2.91Å
118C98.3Very high97.7Very high24 Ų2445.1 Ų45.116%0.16224%0.243CC..THydrogen-bonded Turntrans-63.8-11.7179.169.20000113.6L120 E143 T144C118-L120 VanDerWaalsContact C-N 3.3Å; C118-E143 HydrophobicContact CB-CB 4.18Å; C118-T144 PolarHBondContact N-O 2.93Å; C118-T144 PolarHBondContact SG-O 2.97Å
119D97.7Very high97.8Very high56 Ų5646.4 Ų46.430%0.29925%0.246SC..THydrogen-bonded Turntrans-72-18.2170.759.7-77000114K117 S145 K147 T148K117-D119 WeakPolarHBondContact CA-OD1 3.47Å; K117-D119 PolarHBondContact O-N 2.86Å; K117-D119 VanDerWaalsContact O-N 3.08Å; D119-S145 WeakPolarHBondContact CB-OG 3.32Å; D119-S145 WeakPolarHBondContact OD1-CB 3.12Å; D119-S145 PolarHBondContact OD1-OG 3.25Å; D119-K147 WeakPolarHBondContact OD2-CD 3.34Å; D119-T148 HydrophobicContact CB-CG2 4.11Å
120L96.7Very high97.9Very high55 Ų5546 Ų4629%0.28824%0.244SC..  trans-81.8135.9-177.8-63.3-178.3000111.6N85 K117 C118 T122N85-L120 VanDerWaalsContact ND2-CD1 3.33Å; N85-L120 WeakPolarHBondContact ND2-CD1 3.46Å; K117-L120 HydrophobicContact CB-CD1 3.81Å; K117-L120 HydrophobicContact CB-CG 4.09Å; K117-L120 HydrophobicContact CD-CD1 3.92Å; K117-L120 HydrophobicContact CG-CD1 4.47Å; K117-L120 WeakPolarHBondContact O-CB 3.36Å; K117-L120 PolarHBondContact O-N 2.93Å; C118-L120 VanDerWaalsContact C-N 3.3Å; L120-T122 PolarHBondContact O-N 3Å
121P95.7Very high97.8Very high125 Ų12551 Ų5181%0.81227%0.266SS*.SBendtrans-73-16.7177.429.8-35.2000113.1R123P121-R123 PolarHBondContact O-N 3.5Å
122T95.8Very high97.8Very high89 Ų8955.9 Ų55.955%0.54629%0.289SS..  trans-84.445.9-174.649.80000113.2N85 L120 T124N85-T122 WeakPolarHBondContact CA-O 3.29Å; N85-T122 WeakPolarHBondContact CB-O 3.43Å; L120-T122 PolarHBondContact O-N 3Å; T122-T124 PolarHBondContact O-N 3.37Å
123R97.8Very high97.8Very high85 Ų8557.5 Ų57.532%0.32130%0.298SS..  trans-63.5129.6179.1-179.7178.5-73.4-96.910.3111.4I84 P121 V125 T127 E143I84-R123 HydrophobicContact CD1-CB 3.89Å; I84-R123 HydrophobicContact CD1-CG 4.11Å; P121-R123 PolarHBondContact O-N 3.5Å; R123-V125 WeakPolarHBondContact CD-O 3.21Å; R123-V125 WeakPolarHBondContact CG-O 3.19Å; R123-V125 PolarHBondContact NH1-O 2.84Å; R123-T127 PolarHBondContact NH1-OG1 3.21Å; R123-E143 IonicContact CZ-OE1 3.55Å; R123-E143 VanDerWaalsContact CZ-OE1 3.28Å; R123-E143 IonicContact CZ-OE2 2.81Å; R123-E143 IonicContact NH1-OE1 2.79Å; R123-E143 PolarHBondContact NH1-OE1 3.5Å; R123-E143 IonicContact NH2-OE1 3.51Å; R123-E143 PolarHBondContact NH2-OE1 3.46Å; R123-E143 IonicContact NH2-OE2 3.28Å; R123-E143 PolarHBondContact NH2-OE2 3Å
124T97.9Very high97.8Very high74 Ų7457.6 Ų57.645%0.45430%0.299SS..  trans-120.3-5.9174.457.40000113I84 N85 N86 S87 T122I84-T124 PolarHBondContact O-N 3.32Å; I84-T124 PolarHBondContact O-OG1 2.9Å; N85-T124 WeakPolarHBondContact CA-OG1 3.11Å; N85-T124 PolarHBondContact O-OG1 3.27Å; N86-T124 PolarHBondContact N-OG1 2.88Å; S87-T124 PolarHBondContact N-OG1 3.28Å; S87-T124 WeakPolarHBondContact OG-CB 2.95Å; S87-T124 PolarHBondContact OG-O 3.38Å; S87-T124 PolarHBondContact OG-OG1 3.27Å; T122-T124 PolarHBondContact O-N 3.37Å
125V98Very high97.8Very high2 Ų265.5 Ų65.51%0.01233%0.333CS..SBendtrans-120117.2173.2-177.10000108.9F82 I84 F90 R123 A130F82-V125 HydrophobicContact CD2-CG2 4.5Å; F82-V125 HydrophobicContact CE2-CB 4.03Å; F82-V125 HydrophobicContact CE2-CG1 3.8Å; F82-V125 HydrophobicContact CE2-CG2 4.27Å; F82-V125 HydrophobicContact CZ-CG1 4.3Å; I84-V125 PolarHBondContact O-N 3.36Å; F90-V125 HydrophobicContact CB-CG1 4.33Å; F90-V125 HydrophobicContact CB-CG2 3.74Å; F90-V125 HydrophobicContact CD1-CG1 3.86Å; F90-V125 HydrophobicContact CD1-CG2 4.34Å; F90-V125 HydrophobicContact CD2-CG1 3.86Å; F90-V125 HydrophobicContact CE1-CG1 4.06Å; F90-V125 HydrophobicContact CE2-CG1 4.05Å; F90-V125 HydrophobicContact CG-CG1 3.75Å; F90-V125 HydrophobicContact CG-CG2 4.06Å; F90-V125 HydrophobicContact CZ-CG1 4.14Å; R123-V125 WeakPolarHBondContact CD-O 3.21Å; R123-V125 WeakPolarHBondContact CG-O 3.19Å; R123-V125 PolarHBondContact NH1-O 2.84Å; V125-A130 HydrophobicContact CG1-CB 4.49Å
126D96.7Very high97.7Very high89 Ų8969.7 Ų69.748%0.47636%0.362SS..  trans-68.1138.4178.9-168.1124.3000110.5K128 Q129 A130D126-K128 PolarHBondContact O-N 3.41Å; D126-K128 VanDerWaalsContact OD2-CB 3.22Å; D126-K128 WeakPolarHBondContact OD2-CB 3.44Å; D126-K128 PolarHBondContact OD2-N 2.75Å; D126-Q129 HydrophobicContact CB-CB 4.36Å; D126-Q129 HydrophobicContact CB-CG 4.01Å; D126-Q129 VanDerWaalsContact N-OE1 3.16Å; D126-Q129 WeakPolarHBondContact O-CB 3.22Å; D126-Q129 PolarHBondContact O-N 2.85Å; D126-A130 PolarHBondContact O-N 3.17Å; D126-A130 VanDerWaalsContact O-N 3.12Å
127T96.8Very high97.7Very high58 Ų5871.3 Ų71.336%0.35637%0.368SS..Hα-helixtrans-53.7-37.8175.5-57.60000111.7R123 A130 H131 F141 E143R123-T127 PolarHBondContact NH1-OG1 3.21Å; T127-A130 PolarHBondContact O-N 2.96Å; T127-H131 WeakPolarHBondContact O-CB 3.39Å; T127-H131 PolarHBondContact O-N 3.4Å; T127-F141 HydrophobicContact CG2-CE1 4.12Å; T127-E143 PolarHBondContact OG1-OE1 3.39Å
128K97.9Very high97.7Very high134 Ų13471.6 Ų71.658%0.58339%0.388SS*.Hα-helixtrans-62.1-44.8176-177179.5170.9-177.10111.7D126 A130 H131 E132D126-K128 PolarHBondContact O-N 3.41Å; D126-K128 VanDerWaalsContact OD2-CB 3.22Å; D126-K128 WeakPolarHBondContact OD2-CB 3.44Å; D126-K128 PolarHBondContact OD2-N 2.75Å; K128-A130 VanDerWaalsContact C-N 3.34Å; K128-A130 PolarHBondContact O-N 2.95Å; K128-H131 PolarHBondContact O-N 3.41Å; K128-E132 WeakPolarHBondContact CE-OE1 3.46Å; K128-E132 HydrophobicContact CG-CG 4.48Å; K128-E132 IonicContact NZ-OE1 3.75Å; K128-E132 WeakPolarHBondContact O-CB 3.4Å; K128-E132 WeakPolarHBondContact O-CG 3.44Å; K128-E132 PolarHBondContact O-N 2.87Å
129Q97.6Very high97.7Very high104 Ų10471.4 Ų71.449%0.48639%0.385SS..Hα-helixtrans-62-43.3178-69.8174.4-43.600111.3D126 E132 L133D126-Q129 HydrophobicContact CB-CB 4.36Å; D126-Q129 HydrophobicContact CB-CG 4.01Å; D126-Q129 VanDerWaalsContact N-OE1 3.16Å; D126-Q129 WeakPolarHBondContact O-CB 3.22Å; D126-Q129 PolarHBondContact O-N 2.85Å; Q129-E132 PolarHBondContact O-N 3.14Å; Q129-L133 WeakPolarHBondContact O-CB 3.41Å; Q129-L133 PolarHBondContact O-N 3.45Å
130A98.4Very high97.7Very high0 Ų070.3 Ų70.30%038%0.381CS..Hα-helixtrans-66.3-39.5177.700000112.4F82 F90 L113 V125 D126 T127 K128 L133 A134 F141F82-A130 HydrophobicContact CE1-CB 4.32Å; F82-A130 HydrophobicContact CZ-CB 3.76Å; F90-A130 HydrophobicContact CE2-CB 3.89Å; F90-A130 HydrophobicContact CZ-CB 4.34Å; L113-A130 WeakPolarHBondContact CD2-O 3.47Å; V125-A130 HydrophobicContact CG1-CB 4.49Å; D126-A130 PolarHBondContact O-N 3.17Å; D126-A130 VanDerWaalsContact O-N 3.12Å; T127-A130 PolarHBondContact O-N 2.96Å; K128-A130 VanDerWaalsContact C-N 3.34Å; K128-A130 PolarHBondContact O-N 2.95Å; A130-L133 PolarHBondContact O-N 3.1Å; A130-A134 PolarHBondContact O-N 2.79Å; A130-F141 HydrophobicContact CB-CD1 4.4Å; A130-F141 HydrophobicContact CB-CD2 4.28Å; A130-F141 HydrophobicContact CB-CE1 3.79Å; A130-F141 HydrophobicContact CB-CE2 3.68Å; A130-F141 HydrophobicContact CB-CZ 3.39Å
131H98.3Very high97.8Very high112 Ų11269.3 Ų69.352%0.51937%0.374SS..Hα-helixtrans-66.1-42.6176-166.587.2000112.2T127 K128 L133 A134 K135 F141T127-H131 WeakPolarHBondContact O-CB 3.39Å; T127-H131 PolarHBondContact O-N 3.4Å; K128-H131 PolarHBondContact O-N 3.41Å; H131-L133 VanDerWaalsContact C-N 3.34Å; H131-L133 PolarHBondContact O-N 3.31Å; H131-A134 PolarHBondContact O-N 2.79Å; H131-K135 WeakPolarHBondContact O-CB 3.32Å; H131-K135 PolarHBondContact O-N 2.77Å; H131-F141 HydrophobicContact CB-CD1 4.2Å
132E98.5Very high98Very high104 Ų10464.7 Ų64.749%0.48634%0.342SS..Hα-helixtrans-61.7-41.3175-75.4173.6174.300111.7K128 Q129 K135 S136K128-E132 WeakPolarHBondContact CE-OE1 3.46Å; K128-E132 HydrophobicContact CG-CG 4.48Å; K128-E132 IonicContact NZ-OE1 3.75Å; K128-E132 WeakPolarHBondContact O-CB 3.4Å; K128-E132 WeakPolarHBondContact O-CG 3.44Å; K128-E132 PolarHBondContact O-N 2.87Å; Q129-E132 PolarHBondContact O-N 3.14Å; E132-K135 PolarHBondContact O-N 3.17Å; E132-S136 PolarHBondContact O-N 3.25Å
133L98.4Very high98.1Very high35 Ų3562.4 Ų62.418%0.18333%0.326CS..Hα-helixtrans-62.1-50.4175.1-175.166.6000111.5F90 L113 Q129 A130 H131 K135 S136 Y137F90-L133 HydrophobicContact CD2-CD2 4.28Å; F90-L133 HydrophobicContact CE1-CD2 4.23Å; F90-L133 HydrophobicContact CE2-CB 4.37Å; F90-L133 HydrophobicContact CE2-CD2 3.48Å; F90-L133 VanDerWaalsContact CE2-CD2 3.48Å; F90-L133 HydrophobicContact CZ-CB 3.92Å; F90-L133 HydrophobicContact CZ-CD2 3.46Å; F90-L133 VanDerWaalsContact CZ-CD2 3.46Å; F90-L133 HydrophobicContact CZ-CG 4.3Å; L113-L133 HydrophobicContact CD2-CD2 4.33Å; Q129-L133 WeakPolarHBondContact O-CB 3.41Å; Q129-L133 PolarHBondContact O-N 3.45Å; A130-L133 PolarHBondContact O-N 3.1Å; H131-L133 VanDerWaalsContact C-N 3.34Å; H131-L133 PolarHBondContact O-N 3.31Å; L133-K135 VanDerWaalsContact C-N 3.3Å; L133-K135 PolarHBondContact O-N 3.07Å; L133-S136 WeakPolarHBondContact O-CB 3.23Å; L133-S136 PolarHBondContact O-N 3.23Å; L133-S136 VanDerWaalsContact O-N 3.09Å; L133-S136 PolarHBondContact O-OG 2.99Å; L133-Y137 HydrophobicContact CD1-CE1 4.09Å; L133-Y137 HydrophobicContact CD1-CE2 3.82Å; L133-Y137 HydrophobicContact CD2-CE2 4.02Å; L133-Y137 HydrophobicContact CG-CD2 4.18Å; L133-Y137 HydrophobicContact CG-CE2 3.69Å; L133-Y137 PolarHBondContact O-N 3.23Å
134A98.6Very high98.2Very high2 Ų258.4 Ų58.42%0.01731%0.31CS..Hα-helixtrans-60.8-40.6179.400000112.1L113 A130 H131 S136 Y137 G138 I139 F141L113-A134 HydrophobicContact CB-CB 4.18Å; L113-A134 HydrophobicContact CD2-CB 3.86Å; A130-A134 PolarHBondContact O-N 2.79Å; H131-A134 PolarHBondContact O-N 2.79Å; A134-S136 PolarHBondContact O-N 3.34Å; A134-Y137 CarbonylContact O-C 3.6Å; A134-Y137 PolarHBondContact O-N 3.38Å; A134-Y137 VanDerWaalsContact O-N 3.15Å; A134-G138 PolarHBondContact O-N 3.17Å; A134-I139 CarbonylContact C-O 3.57Å; A134-I139 HydrophobicContact CB-CG1 4.27Å; A134-I139 WeakPolarHBondContact CB-O 3.47Å; A134-I139 PolarHBondContact O-N 3.13Å; A134-F141 HydrophobicContact CB-CB 3.58Å; A134-F141 HydrophobicContact CB-CG 4.49Å
135K98.3Very high98.2Very high166 Ų16654.9 Ų54.972%0.72229%0.289SS*.Hα-helixtrans-60.1-43.4172.9-175.5179.6179.8-179.70111.9H131 E132 L133 Y137 G138H131-K135 WeakPolarHBondContact O-CB 3.32Å; H131-K135 PolarHBondContact O-N 2.77Å; E132-K135 PolarHBondContact O-N 3.17Å; L133-K135 VanDerWaalsContact C-N 3.3Å; L133-K135 PolarHBondContact O-N 3.07Å; K135-Y137 PolarHBondContact O-N 3.39Å; K135-G138 PolarHBondContact O-N 3.41Å; K135-G138 VanDerWaalsContact O-N 3.1Å
136S97.9Very high98.2Very high87 Ų8754.9 Ų54.961%0.60829%0.289SS*.Hα-helixtrans-63.2-29.2176.9800000112.9E132 L133 A134E132-S136 PolarHBondContact O-N 3.25Å; L133-S136 WeakPolarHBondContact O-CB 3.23Å; L133-S136 PolarHBondContact O-N 3.23Å; L133-S136 VanDerWaalsContact O-N 3.09Å; L133-S136 PolarHBondContact O-OG 2.99Å; A134-S136 PolarHBondContact O-N 3.34Å
137Y97.9Very high98.2Very high38 Ų3856 Ų5615%0.14929%0.29CS..Hα-helixtrans-85.8-12.4175.7-70.9-14.4000113.8I93 N94 R97 L133 A134 K135 I139I93-Y137 HydrophobicContact CG2-CE2 4.12Å; N94-Y137 WeakPolarHBondContact CB-OH 3.48Å; N94-Y137 PolarHBondContact OD1-OH 2.96Å; N94-Y137 VanDerWaalsContact OD1-OH 3.07Å; R97-Y137 PolarHBondContact NH2-O 3.08Å; L133-Y137 HydrophobicContact CD1-CE1 4.09Å; L133-Y137 HydrophobicContact CD1-CE2 3.82Å; L133-Y137 HydrophobicContact CD2-CE2 4.02Å; L133-Y137 HydrophobicContact CG-CD2 4.18Å; L133-Y137 HydrophobicContact CG-CE2 3.69Å; L133-Y137 PolarHBondContact O-N 3.23Å; A134-Y137 CarbonylContact O-C 3.6Å; A134-Y137 PolarHBondContact O-N 3.38Å; A134-Y137 VanDerWaalsContact O-N 3.15Å; K135-Y137 PolarHBondContact O-N 3.39Å; Y137-I139 HydrophobicContact CD2-CD1 4.14Å
138G97.8Very high98.2Very high64 Ų6457.2 Ų57.266%0.6630%0.297SS*.THydrogen-bonded Turntrans69.431.6-174.900000113.5A134 K135A134-G138 PolarHBondContact O-N 3.17Å; K135-G138 PolarHBondContact O-N 3.41Å; K135-G138 VanDerWaalsContact O-N 3.1Å
139I98.6Very high98.2Very high20 Ų2055.8 Ų55.810%0.10329%0.288CS..  trans-125.3155-176.768.4178.2000111.7M111 L113 A134 Y137M111-I139 HydrophobicContact CB-CD1 4.12Å; M111-I139 HydrophobicContact CB-CG2 4.12Å; L113-I139 HydrophobicContact CB-CD1 4.04Å; L113-I139 HydrophobicContact CB-CG1 4.46Å; A134-I139 CarbonylContact C-O 3.57Å; A134-I139 HydrophobicContact CB-CG1 4.27Å; A134-I139 WeakPolarHBondContact CB-O 3.47Å; A134-I139 PolarHBondContact O-N 3.13Å; Y137-I139 HydrophobicContact CD2-CD1 4.14Å
140P98.7Very high98.3Very high34 Ų3456 Ų5622%0.22129%0.289CS..  trans-63.3151.3173.2-22.134.2000112.7M111 V112 L113 T158 E162M111-P140 WeakPolarHBondContact O-CD 3.33Å; V112-P140 HydrophobicContact CG1-CB 4.35Å; V112-P140 HydrophobicContact CG2-CB 4.34Å; V112-P140 HydrophobicContact CG2-CG 4.35Å; L113-P140 PolarHBondContact N-O 3.38Å; P140-T158 HydrophobicContact CB-CG2 3.76Å; P140-T158 HydrophobicContact CG-CG2 3.8Å; P140-E162 HydrophobicContact CG-CG 3.97Å
141F98.8Very high98.2Very high34 Ų3456.6 Ų56.615%0.14930%0.295CS..EExtended strand (participates in β ladder)trans-121.5131.3170.8171.8-124000110.5F82 L113 T127 A130 H131 A134 E143F82-F141 AromaticContact CE1-CE2 3.96Å; F82-F141 HydrophobicContact CE1-CE2 3.96Å; F82-F141 HydrophobicContact CZ-CE2 4.06Å; F82-F141 HydrophobicContact CZ-CZ 4.46Å; L113-F141 HydrophobicContact CB-CD2 4.11Å; L113-F141 HydrophobicContact CD2-CD2 3.91Å; L113-F141 HydrophobicContact CD2-CE2 4.47Å; L113-F141 HydrophobicContact CG-CD2 3.87Å; L113-F141 HydrophobicContact CG-CE2 4.44Å; L113-F141 WeakPolarHBondContact O-CA 3.46Å; L113-F141 WeakPolarHBondContact O-CD2 3.39Å; T127-F141 HydrophobicContact CG2-CE1 4.12Å; A130-F141 HydrophobicContact CB-CD1 4.4Å; A130-F141 HydrophobicContact CB-CD2 4.28Å; A130-F141 HydrophobicContact CB-CE1 3.79Å; A130-F141 HydrophobicContact CB-CE2 3.68Å; A130-F141 HydrophobicContact CB-CZ 3.39Å; H131-F141 HydrophobicContact CB-CD1 4.2Å; A134-F141 HydrophobicContact CB-CB 3.58Å; A134-F141 HydrophobicContact CB-CG 4.49Å; F141-E143 HydrophobicContact CE1-CG 3.78Å; F141-E143 HydrophobicContact CE2-CG 4.23Å; F141-E143 HydrophobicContact CZ-CG 3.39Å
142I98.8Very high98.3Very high27 Ų2751.3 Ų51.314%0.13827%0.271CS..EExtended strand (participates in β ladder)trans-132.7128.3178.3-63.3175.7000108.9V112 L113 V114 G115 T144 D154 A155 T158V112-I142 HydrophobicContact CG1-CD1 4.18Å; V112-I142 HydrophobicContact CG1-CG1 4.31Å; L113-I142 PolarHBondContact O-N 2.95Å; V114-I142 WeakPolarHBondContact CA-O 3.44Å; G115-I142 PolarHBondContact N-O 3.05Å; I142-T144 HydrophobicContact CG2-CG2 3.89Å; I142-D154 HydrophobicContact CD1-CB 4.34Å; I142-D154 WeakPolarHBondContact CD1-O 3.04Å; I142-A155 HydrophobicContact CG2-CB 4.28Å; I142-T158 HydrophobicContact CD1-CG2 4.03Å; I142-T158 WeakPolarHBondContact CD1-OG1 3.41Å
143E98.7Very high98.2Very high42 Ų4249.4 Ų49.420%0.19626%0.262CS..EExtended strand (participates in β ladder)trans-85.5137167.8-69.4-162.3161.100110.2G115 C118 R123 T127 F141G115-E143 WeakPolarHBondContact O-CA 3.49Å; C118-E143 HydrophobicContact CB-CB 4.18Å; R123-E143 IonicContact CZ-OE1 3.55Å; R123-E143 VanDerWaalsContact CZ-OE1 3.28Å; R123-E143 IonicContact CZ-OE2 2.81Å; R123-E143 IonicContact NH1-OE1 2.79Å; R123-E143 PolarHBondContact NH1-OE1 3.5Å; R123-E143 IonicContact NH2-OE1 3.51Å; R123-E143 PolarHBondContact NH2-OE1 3.46Å; R123-E143 IonicContact NH2-OE2 3.28Å; R123-E143 PolarHBondContact NH2-OE2 3Å; T127-E143 PolarHBondContact OG1-OE1 3.39Å; F141-E143 HydrophobicContact CE1-CG 3.78Å; F141-E143 HydrophobicContact CE2-CG 4.23Å; F141-E143 HydrophobicContact CZ-CG 3.39Å
144T98.8Very high98.2Very high0 Ų052.2 Ų52.20%028%0.277CS..EExtended strand (participates in β ladder)trans-133.3155.4-176.164.80000112.1L19 V114 G115 N116 K117 C118 I142 Q150 G151 A155L19-T144 HydrophobicContact CD2-CG2 4.48Å; V114-T144 HydrophobicContact CG1-CG2 3.65Å; V114-T144 WeakPolarHBondContact CG1-OG1 3.24Å; G115-T144 PolarHBondContact O-N 2.96Å; N116-T144 CarbonylContact C-O 3.55Å; N116-T144 VanDerWaalsContact C-O 3.31Å; N116-T144 VanDerWaalsContact CA-O 3.27Å; N116-T144 WeakPolarHBondContact CA-O 3.24Å; N116-T144 WeakPolarHBondContact CA-OG1 3.34Å; N116-T144 PolarHBondContact OD1-O 2.99Å; N116-T144 PolarHBondContact OD1-OG1 2.83Å; K117-T144 PolarHBondContact N-O 2.91Å; C118-T144 PolarHBondContact N-O 2.93Å; C118-T144 PolarHBondContact SG-O 2.97Å; I142-T144 HydrophobicContact CG2-CG2 3.89Å; T144-Q150 CarbonylContact C-O 3.54Å; T144-Q150 VanDerWaalsContact CA-O 3.25Å; T144-Q150 WeakPolarHBondContact CA-O 3.33Å; T144-G151 WeakPolarHBondContact CG2-O 3.37Å; T144-A155 HydrophobicContact CG2-CB 4.02Å
145S98.4Very high98.2Very high0 Ų052.1 Ų52.10%028%0.277CS..  trans-131.9107.1163.8169.50000107.9D119 K147 T148 R149 Q150D119-S145 WeakPolarHBondContact CB-OG 3.32Å; D119-S145 WeakPolarHBondContact OD1-CB 3.12Å; D119-S145 PolarHBondContact OD1-OG 3.25Å; S145-K147 PolarHBondContact O-N 2.97Å; S145-K147 PolarHBondContact OG-N 3.41Å; S145-T148 WeakPolarHBondContact CB-OG1 3.33Å; S145-T148 PolarHBondContact O-N 3.29Å; S145-T148 PolarHBondContact OG-N 3.34Å; S145-T148 PolarHBondContact OG-OG1 3Å; S145-R149 CarbonylContact O-C 3.6Å; S145-R149 VanDerWaalsContact O-CA 3.3Å; S145-R149 WeakPolarHBondContact O-CA 3.24Å; S145-R149 PolarHBondContact O-N 3.28Å; S145-Q150 PolarHBondContact N-O 3.12Å; S145-Q150 PolarHBondContact O-N 3.07Å
146A98Very high98.3Very high3 Ų344.3 Ų44.33%0.02524%0.242CC..THydrogen-bonded Turntrans-55.9-3517000000111.1A18 L19 Q22 F28 N116A18-A146 HydrophobicContact CB-CB 3.7Å; L19-A146 HydrophobicContact CD2-CB 3.94Å; L19-A146 HydrophobicContact CG-CB 4.21Å; Q22-A146 WeakPolarHBondContact CG-O 3.43Å; Q22-A146 PolarHBondContact NE2-O 3.42Å; F28-A146 HydrophobicContact CD2-CB 4.05Å; F28-A146 HydrophobicContact CE2-CB 3.94Å; N116-A146 PolarHBondContact OD1-N 3.08Å
147K97.4Very high98.3Very high113 Ų11341.7 Ų41.749%0.49122%0.22SC..THydrogen-bonded Turntrans-63.5-46180-175.5173.9-173.9174.30113.4F28 D119 S145F28-K147 HydrophobicContact CD1-CB 4.09Å; F28-K147 HydrophobicContact CD1-CG 3.9Å; F28-K147 HydrophobicContact CD2-CB 4.44Å; F28-K147 HydrophobicContact CE1-CB 3.72Å; F28-K147 HydrophobicContact CE1-CD 4.13Å; F28-K147 HydrophobicContact CE1-CG 3.64Å; F28-K147 HydrophobicContact CE2-CB 4.16Å; F28-K147 HydrophobicContact CG-CB 4.42Å; F28-K147 HydrophobicContact CZ-CB 3.8Å; F28-K147 HydrophobicContact CZ-CG 4.22Å; D119-K147 WeakPolarHBondContact OD2-CD 3.34Å; S145-K147 PolarHBondContact O-N 2.97Å; S145-K147 PolarHBondContact OG-N 3.41Å
148T97.2Very high98.3Very high82 Ų8241 Ų4150%0.50322%0.219SC..THydrogen-bonded Turntrans-99.30.7-176.3640000113.4D119 S145 Q150D119-T148 HydrophobicContact CB-CG2 4.11Å; S145-T148 WeakPolarHBondContact CB-OG1 3.33Å; S145-T148 PolarHBondContact O-N 3.29Å; S145-T148 PolarHBondContact OG-N 3.34Å; S145-T148 PolarHBondContact OG-OG1 3Å; T148-Q150 PolarHBondContact O-N 2.94Å; T148-Q150 VanDerWaalsContact O-N 3.17Å; T148-Q150 WeakPolarHBondContact OG1-CB 3.5Å
149R97.3Very high98.4Very high104 Ų10438 Ų3839%0.39219%0.188SC..  trans65.12.1-172.4-167.2172.5169.2-168.3-2.6114.5Q22 N26 S145 G151 V152 E153Q22-R149 HydrophobicContact CG-CB 4.16Å; Q22-R149 HydrophobicContact CG-CG 4.1Å; N26-R149 PolarHBondContact OD1-NH1 2.83Å; N26-R149 PolarHBondContact OD1-NH2 3.1Å; N26-R149 VanDerWaalsContact OD1-NH2 3.17Å; S145-R149 CarbonylContact O-C 3.6Å; S145-R149 VanDerWaalsContact O-CA 3.3Å; S145-R149 WeakPolarHBondContact O-CA 3.24Å; S145-R149 PolarHBondContact O-N 3.28Å; R149-G151 PolarHBondContact O-N 2.57Å; R149-V152 HydrophobicContact CG-CB 4.45Å; R149-V152 WeakPolarHBondContact O-CG2 3.35Å; R149-V152 PolarHBondContact O-N 3.42Å; R149-E153 IonicContact CZ-OE1 2.65Å; R149-E153 IonicContact NE-OE1 3.93Å; R149-E153 IonicContact NH2-OE1 2.85Å; R149-E153 PolarHBondContact NH2-OE1 2.95Å
150Q98.5Very high98.4Very high110 Ų11037 Ų3751%0.51418%0.183SC..THydrogen-bonded Turntrans-57.1127.9177.8-178.5-179.1-15.800111.3T144 S145 T148 V152T144-Q150 CarbonylContact C-O 3.54Å; T144-Q150 VanDerWaalsContact CA-O 3.25Å; T144-Q150 WeakPolarHBondContact CA-O 3.33Å; S145-Q150 PolarHBondContact N-O 3.12Å; S145-Q150 PolarHBondContact O-N 3.07Å; T148-Q150 PolarHBondContact O-N 2.94Å; T148-Q150 VanDerWaalsContact O-N 3.17Å; T148-Q150 WeakPolarHBondContact OG1-CB 3.5Å; Q150-V152 PolarHBondContact O-N 3.26Å
151G98.4Very high98.4Very high12 Ų1239.2 Ų39.212%0.12419%0.187CC..THydrogen-bonded Turntrans67.61.3174.500000115.6T144 R149 D154 A155T144-G151 WeakPolarHBondContact CG2-O 3.37Å; R149-G151 PolarHBondContact O-N 2.57Å; G151-D154 PolarHBondContact O-N 2.95Å; G151-A155 WeakPolarHBondContact O-CB 3.47Å; G151-A155 PolarHBondContact O-N 3.06Å
152V98.5Very high98.4Very high1 Ų139.6 Ų39.61%0.00619%0.189CC..Hα-helixtrans-62.5-55.3-175.4176.30000110.4L19 Q22 L23 R149 Q150 D154 A155 F156L19-V152 HydrophobicContact CD2-CG2 3.82Å; Q22-V152 HydrophobicContact CB-CG1 4.39Å; Q22-V152 HydrophobicContact CG-CG1 4.37Å; Q22-V152 HydrophobicContact CG-CG2 4.09Å; L23-V152 HydrophobicContact CB-CG1 3.92Å; R149-V152 HydrophobicContact CG-CB 4.45Å; R149-V152 WeakPolarHBondContact O-CG2 3.35Å; R149-V152 PolarHBondContact O-N 3.42Å; Q150-V152 PolarHBondContact O-N 3.26Å; V152-D154 VanDerWaalsContact C-N 3.33Å; V152-D154 PolarHBondContact O-N 3.43Å; V152-A155 PolarHBondContact O-N 3.14Å; V152-F156 HydrophobicContact CG1-CE2 4.39Å; V152-F156 VanDerWaalsContact O-CD2 3.3Å; V152-F156 WeakPolarHBondContact O-CD2 3.46Å; V152-F156 PolarHBondContact O-N 3.14Å
153E98Very high98.4Very high63 Ų6338.4 Ų38.429%0.29418%0.183SC..Hα-helixtrans-62.4-42.2177.8-71.7180-179.700111.6L23 R149 A155 F156 Y157L23-E153 HydrophobicContact CD1-CG 3.86Å; R149-E153 IonicContact CZ-OE1 2.65Å; R149-E153 IonicContact NE-OE1 3.93Å; R149-E153 IonicContact NH2-OE1 2.85Å; R149-E153 PolarHBondContact NH2-OE1 2.95Å; E153-A155 VanDerWaalsContact C-N 3.29Å; E153-A155 PolarHBondContact O-N 2.95Å; E153-F156 PolarHBondContact O-N 3.39Å; E153-Y157 HydrophobicContact CB-CD2 4.44Å; E153-Y157 HydrophobicContact CB-CE2 4.24Å; E153-Y157 VanDerWaalsContact O-CB 3.28Å; E153-Y157 WeakPolarHBondContact O-CB 3.42Å; E153-Y157 WeakPolarHBondContact O-CD1 3.41Å; E153-Y157 VanDerWaalsContact O-CG 3.24Å; E153-Y157 PolarHBondContact O-N 2.97Å
154D98.5Very high98.3Very high94 Ų9438.3 Ų38.350%0.50318%0.181SC..Hα-helixtrans-57.7-40.9179.7-65-33000112.3I142 G151 V152 T158I142-D154 HydrophobicContact CD1-CB 4.34Å; I142-D154 WeakPolarHBondContact CD1-O 3.04Å; G151-D154 PolarHBondContact O-N 2.95Å; V152-D154 VanDerWaalsContact C-N 3.33Å; V152-D154 PolarHBondContact O-N 3.43Å; D154-T158 WeakPolarHBondContact O-CB 3.33Å; D154-T158 PolarHBondContact O-N 3.34Å; D154-T158 PolarHBondContact O-OG1 2.84Å
155A98.8Very high98.3Very high1 Ų142.7 Ų42.71%0.00820%0.201CC..Hα-helixtrans-60.2-53.617800000112L79 V114 I142 T144 G151 V152 E153 L159L79-A155 HydrophobicContact CD1-CB 4.46Å; V114-A155 HydrophobicContact CG2-CB 4.08Å; I142-A155 HydrophobicContact CG2-CB 4.28Å; T144-A155 HydrophobicContact CG2-CB 4.02Å; G151-A155 WeakPolarHBondContact O-CB 3.47Å; G151-A155 PolarHBondContact O-N 3.06Å; V152-A155 PolarHBondContact O-N 3.14Å; E153-A155 VanDerWaalsContact C-N 3.29Å; E153-A155 PolarHBondContact O-N 2.95Å; A155-L159 PolarHBondContact O-N 3.42Å
156F98.7Very high98.2Very high1 Ų144.7 Ų44.70%0.00421%0.209CC..Hα-helixtrans-69.3-38-179.1-72.1-90.2000112.2L6 V8 L19 L23 I55 L79 V152 E153 L159 V160L6-F156 HydrophobicContact CD1-CD1 3.9Å; V8-F156 HydrophobicContact CG2-CE1 3.95Å; V8-F156 HydrophobicContact CG2-CZ 4.18Å; L19-F156 HydrophobicContact CB-CE2 4.3Å; L23-F156 HydrophobicContact CB-CD2 4.34Å; L23-F156 HydrophobicContact CB-CE2 4.17Å; L23-F156 HydrophobicContact CD2-CB 3.98Å; L23-F156 HydrophobicContact CD2-CD1 3.84Å; L23-F156 HydrophobicContact CD2-CD2 3.64Å; L23-F156 HydrophobicContact CD2-CE1 4.18Å; L23-F156 HydrophobicContact CD2-CE2 3.99Å; L23-F156 HydrophobicContact CD2-CG 3.56Å; L23-F156 HydrophobicContact CD2-CZ 4.25Å; L23-F156 HydrophobicContact CG-CD2 4.38Å; I55-F156 HydrophobicContact CD1-CD1 3.93Å; I55-F156 HydrophobicContact CD1-CE1 3.77Å; I55-F156 HydrophobicContact CG1-CE1 4.45Å; I55-F156 HydrophobicContact CG2-CE1 3.97Å; L79-F156 HydrophobicContact CD1-CD1 3.65Å; L79-F156 HydrophobicContact CD1-CD2 3.99Å; L79-F156 HydrophobicContact CD1-CE1 3.52Å; L79-F156 HydrophobicContact CD1-CE2 3.9Å; L79-F156 HydrophobicContact CD1-CG 3.89Å; L79-F156 HydrophobicContact CD1-CZ 3.66Å; V152-F156 HydrophobicContact CG1-CE2 4.39Å; V152-F156 VanDerWaalsContact O-CD2 3.3Å; V152-F156 WeakPolarHBondContact O-CD2 3.46Å; V152-F156 PolarHBondContact O-N 3.14Å; E153-F156 PolarHBondContact O-N 3.39Å; F156-L159 WeakPolarHBondContact O-CB 3.33Å; F156-L159 PolarHBondContact O-N 2.78Å; F156-V160 PolarHBondContact O-N 3.02Å; F156-V160 VanDerWaalsContact O-N 3.1Å
157Y98.6Very high98.1Very high33 Ų3348.2 Ų48.213%0.12922%0.222CC..Hα-helixtrans-73.4-35.8-178-68.96.9000111.3V44 I46 L53 E153 L159 V160 R161V44-Y157 HydrophobicContact CB-CE1 4.38Å; V44-Y157 HydrophobicContact CG1-CE1 4.38Å; V44-Y157 HydrophobicContact CG2-CE1 4.27Å; I46-Y157 HydrophobicContact CD1-CD1 3.4Å; I46-Y157 VanDerWaalsContact CD1-CD1 3.4Å; I46-Y157 HydrophobicContact CD1-CE1 3.77Å; I46-Y157 HydrophobicContact CD1-CG 3.84Å; I46-Y157 HydrophobicContact CG1-CD1 3.71Å; I46-Y157 HydrophobicContact CG1-CD2 4.01Å; I46-Y157 HydrophobicContact CG1-CE1 3.82Å; I46-Y157 HydrophobicContact CG1-CE2 4.09Å; I46-Y157 HydrophobicContact CG1-CG 3.81Å; I46-Y157 HydrophobicContact CG2-CD2 4.43Å; I46-Y157 HydrophobicContact CG2-CG 4.25Å; L53-Y157 HydrophobicContact CD1-CE1 4.41Å; E153-Y157 HydrophobicContact CB-CD2 4.44Å; E153-Y157 HydrophobicContact CB-CE2 4.24Å; E153-Y157 VanDerWaalsContact O-CB 3.28Å; E153-Y157 WeakPolarHBondContact O-CB 3.42Å; E153-Y157 WeakPolarHBondContact O-CD1 3.41Å; E153-Y157 VanDerWaalsContact O-CG 3.24Å; E153-Y157 PolarHBondContact O-N 2.97Å; Y157-L159 VanDerWaalsContact C-N 3.3Å; Y157-L159 PolarHBondContact O-N 3.25Å; Y157-V160 PolarHBondContact O-N 3.23Å; Y157-R161 WeakPolarHBondContact O-CG 3.27Å; Y157-R161 PolarHBondContact O-N 3.33Å
158T98.8Very high97.9Very high24 Ų2448.3 Ų48.315%0.14723%0.226CC..Hα-helixtrans-61-41.9170.7-60.70000110.8V112 P140 I142 D154 V160 R161 E162V112-T158 HydrophobicContact CG2-CG2 3.91Å; P140-T158 HydrophobicContact CB-CG2 3.76Å; P140-T158 HydrophobicContact CG-CG2 3.8Å; I142-T158 HydrophobicContact CD1-CG2 4.03Å; I142-T158 WeakPolarHBondContact CD1-OG1 3.41Å; D154-T158 WeakPolarHBondContact O-CB 3.33Å; D154-T158 PolarHBondContact O-N 3.34Å; D154-T158 PolarHBondContact O-OG1 2.84Å; T158-V160 VanDerWaalsContact C-N 3.32Å; T158-V160 PolarHBondContact O-N 3.22Å; T158-R161 WeakPolarHBondContact O-CB 3.27Å; T158-R161 PolarHBondContact O-N 3.05Å; T158-R161 VanDerWaalsContact O-N 3.09Å; T158-E162 WeakPolarHBondContact O-CG 3.39Å; T158-E162 PolarHBondContact O-N 3.3Å
159L98.8Very high97.7Very high0 Ų049.6 Ų49.60%022%0.224CC..Hα-helixtrans-61.4-40.2175.6-177.461.7000112.4L6 L79 P110 V112 A155 F156 Y157 R161 E162 I163L6-L159 HydrophobicContact CB-CD2 4.17Å; L6-L159 HydrophobicContact CD1-CD2 4.4Å; L6-L159 HydrophobicContact CD2-CD2 3.86Å; L6-L159 HydrophobicContact CD2-CG 4.15Å; L6-L159 HydrophobicContact CG-CD2 4.36Å; L79-L159 HydrophobicContact CD2-CB 3.93Å; L79-L159 HydrophobicContact CD2-CD2 3.8Å; L79-L159 HydrophobicContact CD2-CG 4.38Å; L79-L159 HydrophobicContact CG-CD2 3.83Å; P110-L159 HydrophobicContact CB-CD1 4.4Å; V112-L159 HydrophobicContact CG2-CB 3.93Å; V112-L159 HydrophobicContact CG2-CD1 4.16Å; A155-L159 PolarHBondContact O-N 3.42Å; F156-L159 WeakPolarHBondContact O-CB 3.33Å; F156-L159 PolarHBondContact O-N 2.78Å; Y157-L159 VanDerWaalsContact C-N 3.3Å; Y157-L159 PolarHBondContact O-N 3.25Å; L159-R161 VanDerWaalsContact C-N 3.3Å; L159-R161 PolarHBondContact O-N 2.94Å; L159-E162 PolarHBondContact O-N 3.04Å; L159-I163 HydrophobicContact CG-CD1 4.39Å; L159-I163 WeakPolarHBondContact O-CG1 3.4Å; L159-I163 PolarHBondContact O-N 3.39Å
160V98.7Very high97.3Very high0 Ų049.9 Ų49.90%023%0.228CC..Hα-helixtrans-60.3-41.3173.6170.60000111.4Y4 L6 I46 L53 F156 Y157 T158 E162 I163 R164Y4-V160 HydrophobicContact CD1-CG1 4.42Å; Y4-V160 HydrophobicContact CD2-CG1 3.77Å; Y4-V160 HydrophobicContact CD2-CG2 4.13Å; Y4-V160 HydrophobicContact CE1-CG1 4.21Å; Y4-V160 HydrophobicContact CE2-CG1 3.52Å; Y4-V160 HydrophobicContact CG-CG1 4.21Å; Y4-V160 HydrophobicContact CG-CG2 4.23Å; L6-V160 HydrophobicContact CD1-CG2 4.31Å; L6-V160 HydrophobicContact CD2-CG2 4.43Å; I46-V160 HydrophobicContact CD1-CB 3.9Å; I46-V160 HydrophobicContact CD1-CG1 3.94Å; I46-V160 HydrophobicContact CD1-CG2 3.72Å; I46-V160 HydrophobicContact CG2-CG1 4.46Å; L53-V160 HydrophobicContact CD2-CG2 3.65Å; F156-V160 PolarHBondContact O-N 3.02Å; F156-V160 VanDerWaalsContact O-N 3.1Å; Y157-V160 PolarHBondContact O-N 3.23Å; T158-V160 VanDerWaalsContact C-N 3.32Å; T158-V160 PolarHBondContact O-N 3.22Å; V160-E162 VanDerWaalsContact C-N 3.35Å; V160-E162 PolarHBondContact O-N 3.2Å; V160-I163 PolarHBondContact O-N 3.21Å; V160-R164 WeakPolarHBondContact O-CG 2.71Å; V160-R164 PolarHBondContact O-N 3.42Å
161R98.7Very high96.8Very high80 Ų8050 Ų5030%0.30223%0.231SC..Hα-helixtrans-63.5-39175.6-66.2174.1-169.2120.6-2.3112.1D47 Y157 T158 L159 R164 Q165D47-R161 IonicContact OD1-CZ 3.46Å; D47-R161 IonicContact OD1-NE 3.26Å; D47-R161 PolarHBondContact OD1-NE 3.12Å; D47-R161 IonicContact OD1-NH2 2.77Å; D47-R161 PolarHBondContact OD1-NH2 3.05Å; D47-R161 WeakPolarHBondContact OD2-CG 3.34Å; D47-R161 IonicContact OD2-CZ 3.77Å; D47-R161 IonicContact OD2-NE 2.89Å; D47-R161 PolarHBondContact OD2-NE 3.23Å; D47-R161 IonicContact OD2-NH2 3.79Å; Y157-R161 WeakPolarHBondContact O-CG 3.27Å; Y157-R161 PolarHBondContact O-N 3.33Å; T158-R161 WeakPolarHBondContact O-CB 3.27Å; T158-R161 PolarHBondContact O-N 3.05Å; T158-R161 VanDerWaalsContact O-N 3.09Å; L159-R161 VanDerWaalsContact C-N 3.3Å; L159-R161 PolarHBondContact O-N 2.94Å; R161-R164 WeakPolarHBondContact O-CB 3.21Å; R161-R164 PolarHBondContact O-N 3.21Å; R161-Q165 WeakPolarHBondContact O-CG 3.01Å; R161-Q165 PolarHBondContact O-N 3Å
162E98.6Very high96.2Very high41 Ų4154.8 Ų54.819%0.19225%0.254CS..Hα-helixtrans-64.1-42.1174.3-66.1-57.7103.600111.7P110 V112 P140 T158 L159 V160 R164 Q165 Y166P110-E162 HydrophobicContact CB-CB 4.06Å; V112-E162 HydrophobicContact CG2-CG 4.45Å; P140-E162 HydrophobicContact CG-CG 3.97Å; T158-E162 WeakPolarHBondContact O-CG 3.39Å; T158-E162 PolarHBondContact O-N 3.3Å; L159-E162 PolarHBondContact O-N 3.04Å; V160-E162 VanDerWaalsContact C-N 3.35Å; V160-E162 PolarHBondContact O-N 3.2Å; E162-R164 VanDerWaalsContact C-N 3.35Å; E162-R164 PolarHBondContact O-N 3.48Å; E162-Q165 PolarHBondContact O-N 3.36Å; E162-Q165 PolarHBondContact OE1-NE2 3.22Å; E162-Y166 WeakPolarHBondContact O-CB 2.82Å; E162-Y166 PolarHBondContact O-N 2.76Å
163I98.5Very high95.4Very high2 Ų258.9 Ų58.91%0.0128%0.283CS..Hα-helixtrans-62.3-42.8174.8-63.6165.6000110.9Y4 L6 E76 P110 L159 V160 Y166 R167Y4-I163 HydrophobicContact CD1-CB 4.29Å; Y4-I163 HydrophobicContact CD1-CD1 4.32Å; Y4-I163 HydrophobicContact CD1-CG2 3.82Å; Y4-I163 HydrophobicContact CE1-CB 4.49Å; Y4-I163 HydrophobicContact CE1-CG2 4.02Å; L6-I163 HydrophobicContact CD2-CD1 3.39Å; E76-I163 HydrophobicContact CB-CD1 4.08Å; E76-I163 HydrophobicContact CB-CG1 4.48Å; E76-I163 HydrophobicContact CB-CG2 4.33Å; P110-I163 HydrophobicContact CB-CG1 3.71Å; P110-I163 HydrophobicContact CG-CG1 4.06Å; L159-I163 HydrophobicContact CG-CD1 4.39Å; L159-I163 WeakPolarHBondContact O-CG1 3.4Å; L159-I163 PolarHBondContact O-N 3.39Å; V160-I163 PolarHBondContact O-N 3.21Å; I163-Y166 PolarHBondContact O-N 3.27Å; I163-R167 HydrophobicContact CG2-CG 4.39Å; I163-R167 WeakPolarHBondContact O-CG 3.49Å; I163-R167 PolarHBondContact O-N 2.91Å
164R97.8Very high94Very high40 Ų4061.8 Ų61.815%0.15130%0.301CS..Hα-helixtrans-58.6-49.7175.5-73.6170.1173.2171.7-4.1110.9Y4 I46 D47 E49 V160 R161 E162 Y166 R167 M168Y4-R164 HydrophobicContact CE1-CG 4.25Å; Y4-R164 VanDerWaalsContact OH-CG 3.31Å; Y4-R164 WeakPolarHBondContact OH-CG 3.26Å; Y4-R164 PolarHBondContact OH-NE 3.31Å; I46-R164 PolarHBondContact O-NH1 3.12Å; I46-R164 VanDerWaalsContact O-NH1 3.13Å; I46-R164 PolarHBondContact O-NH2 3.46Å; I46-R164 VanDerWaalsContact O-NH2 3.09Å; D47-R164 IonicContact OD2-NH1 3.14Å; D47-R164 PolarHBondContact OD2-NH1 2.9Å; D47-R164 VanDerWaalsContact OD2-NH1 3.14Å; E49-R164 IonicContact OE2-CZ 3.34Å; E49-R164 IonicContact OE2-NE 3.46Å; E49-R164 PolarHBondContact OE2-NE 2.69Å; E49-R164 IonicContact OE2-NH2 2.73Å; E49-R164 PolarHBondContact OE2-NH2 3.08Å; V160-R164 WeakPolarHBondContact O-CG 2.71Å; V160-R164 PolarHBondContact O-N 3.42Å; R161-R164 WeakPolarHBondContact O-CB 3.21Å; R161-R164 PolarHBondContact O-N 3.21Å; E162-R164 VanDerWaalsContact C-N 3.35Å; E162-R164 PolarHBondContact O-N 3.48Å; R164-Y166 VanDerWaalsContact C-N 3.35Å; R164-Y166 PolarHBondContact O-N 3.25Å; R164-R167 PolarHBondContact O-N 2.85Å; R164-M168 VanDerWaalsContact O-CG 3.28Å; R164-M168 WeakPolarHBondContact O-CG 3.09Å; R164-M168 PolarHBondContact O-N 3.08Å
165Q97.2Very high92.3Very high92 Ų9263 Ų6343%0.4331%0.307SS..Hα-helixtrans-58.9-45.1177.9-73.2176.750.600111.9R161 E162 M168 K169R161-Q165 WeakPolarHBondContact O-CG 3.01Å; R161-Q165 PolarHBondContact O-N 3Å; E162-Q165 PolarHBondContact O-N 3.36Å; E162-Q165 PolarHBondContact OE1-NE2 3.22Å; Q165-M168 PolarHBondContact O-N 3.43Å; Q165-K169 WeakPolarHBondContact O-CG 3.12Å; Q165-K169 PolarHBondContact O-N 3.18Å
166Y97Very high90.4Very high43 Ų4370.1 Ų70.117%0.16935%0.345CS..Hα-helixtrans-60.7-46.4177.8177.1-105.4000112.9D108 P110 E162 I163 R164 M168 K169 K170D108-Y166 HydrophobicContact CB-CE2 4.29Å; D108-Y166 WeakPolarHBondContact O-CE2 3.03Å; P110-Y166 HydrophobicContact CG-CD1 4.07Å; P110-Y166 HydrophobicContact CG-CD2 4.47Å; P110-Y166 HydrophobicContact CG-CG 3.81Å; E162-Y166 WeakPolarHBondContact O-CB 2.82Å; E162-Y166 PolarHBondContact O-N 2.76Å; I163-Y166 PolarHBondContact O-N 3.27Å; R164-Y166 VanDerWaalsContact C-N 3.35Å; R164-Y166 PolarHBondContact O-N 3.25Å; Y166-M168 VanDerWaalsContact C-N 3.31Å; Y166-M168 PolarHBondContact O-N 3.18Å; Y166-K169 PolarHBondContact O-N 3.41Å; Y166-K170 HydrophobicContact CD1-CD 4.44Å; Y166-K170 HydrophobicContact CE1-CD 3.75Å; Y166-K170 HydrophobicContact CE2-CD 4.42Å; Y166-K170 PolarHBondContact O-N 2.81Å; Y166-K170 VanDerWaalsContact O-N 3.08Å; Y166-K170 WeakPolarHBondContact OH-CE 3.47Å; Y166-K170 PolarHBondContact OH-NZ 3.18Å
167R95.4Very high88.3Confident76 Ų7673.3 Ų73.329%0.28738%0.379SS..Hα-helixtrans-60.8-40.2176.2-72.3-179.9179.71734.6111.5E3 E76 I163 R164 K170 L171E3-R167 PolarHBondContact O-NH2 3.38Å; E76-R167 IonicContact OE1-CZ 3.5Å; E76-R167 IonicContact OE1-NE 3.64Å; E76-R167 IonicContact OE1-NH2 2.64Å; E76-R167 PolarHBondContact OE1-NH2 2.75Å; E76-R167 IonicContact OE2-NH2 3.12Å; E76-R167 PolarHBondContact OE2-NH2 3.47Å; E76-R167 VanDerWaalsContact OE2-NH2 3.12Å; I163-R167 HydrophobicContact CG2-CG 4.39Å; I163-R167 WeakPolarHBondContact O-CG 3.49Å; I163-R167 PolarHBondContact O-N 2.91Å; R164-R167 PolarHBondContact O-N 2.85Å; R167-K170 PolarHBondContact O-N 2.91Å; R167-L171 WeakPolarHBondContact O-CG 3.27Å; R167-L171 PolarHBondContact O-N 3.11Å; R167-L171 VanDerWaalsContact O-N 3.12Å
168M93.8Very high86.1Confident116 Ų11677.1 Ų77.157%0.57141%0.405SS*.Hα-helixtrans-65.1-43.9177.2-67.4-62161.600112.5R164 Q165 Y166 K170 L171 N172R164-M168 VanDerWaalsContact O-CG 3.28Å; R164-M168 WeakPolarHBondContact O-CG 3.09Å; R164-M168 PolarHBondContact O-N 3.08Å; Q165-M168 PolarHBondContact O-N 3.43Å; Y166-M168 VanDerWaalsContact C-N 3.31Å; Y166-M168 PolarHBondContact O-N 3.18Å; M168-K170 VanDerWaalsContact C-N 3.34Å; M168-K170 PolarHBondContact O-N 2.87Å; M168-L171 PolarHBondContact O-N 2.97Å; M168-L171 HydrophobicContact SD-CD1 4.4Å; M168-N172 PolarHBondContact O-N 3.28Å; M168-N172 VanDerWaalsContact O-N 3.15Å
169K92.5Very high83.7Confident108 Ų10885.3 Ų85.347%0.4744%0.442SS..Hα-helixtrans-58.4-45175.2-70.5175.7-172.9173.60111.7Q165 Y166 L171 N172 S173Q165-K169 WeakPolarHBondContact O-CG 3.12Å; Q165-K169 PolarHBondContact O-N 3.18Å; Y166-K169 PolarHBondContact O-N 3.41Å; K169-L171 VanDerWaalsContact C-N 3.33Å; K169-L171 PolarHBondContact O-N 2.61Å; K169-N172 PolarHBondContact O-N 2.83Å; K169-S173 PolarHBondContact O-N 3.15Å; K169-S173 PolarHBondContact O-OG 2.73Å
170K89.1Confident81Confident111 Ų11188.5 Ų88.548%0.48348%0.475SS..Hα-helixtrans-62.7-36.2178.1-84.4-168.6158.1177.70113.8Y166 R167 M168 N174Y166-K170 HydrophobicContact CD1-CD 4.44Å; Y166-K170 HydrophobicContact CE1-CD 3.75Å; Y166-K170 HydrophobicContact CE2-CD 4.42Å; Y166-K170 PolarHBondContact O-N 2.81Å; Y166-K170 VanDerWaalsContact O-N 3.08Å; Y166-K170 WeakPolarHBondContact OH-CE 3.47Å; Y166-K170 PolarHBondContact OH-NZ 3.18Å; R167-K170 PolarHBondContact O-N 2.91Å; M168-K170 VanDerWaalsContact C-N 3.34Å; M168-K170 PolarHBondContact O-N 2.87Å; K170-N174 PolarHBondContact O-N 2.94Å; K170-N174 PolarHBondContact O-ND2 3.13Å
171L87.8Confident78.5Confident111 Ų11195 Ų9558%0.58152%0.519SS*.Hα-helixtrans-65.9-44175.7-73.4166.3000111R167 M168 K169 N174R167-L171 WeakPolarHBondContact O-CG 3.27Å; R167-L171 PolarHBondContact O-N 3.11Å; R167-L171 VanDerWaalsContact O-N 3.12Å; M168-L171 PolarHBondContact O-N 2.97Å; M168-L171 HydrophobicContact SD-CD1 4.4Å; K169-L171 VanDerWaalsContact C-N 3.33Å; K169-L171 PolarHBondContact O-N 2.61Å; L171-N174 PolarHBondContact O-N 3.22Å
172N86Confident76.3Confident113 Ų113100.4 Ų100.460%0.60455%0.55SS*.Hα-helixtrans-66.8-38.8179.8-66.5-8.7000112.6M168 K169 N174 D175M168-N172 PolarHBondContact O-N 3.28Å; M168-N172 VanDerWaalsContact O-N 3.15Å; K169-N172 PolarHBondContact O-N 2.83Å; N172-N174 PolarHBondContact O-N 3.09Å; N172-D175 PolarHBondContact O-N 3.04Å
173S80.9Confident73.7Confident87 Ų87102 Ų10261%0.60858%0.577SS**Hα-helixtrans-63.6-25.9177.2-62.30000114K169K169-S173 PolarHBondContact O-N 3.15Å; K169-S173 PolarHBondContact O-OG 2.73Å
174N70.2Confident71.5Confident124 Ų124109.4 Ų109.466%0.66362%0.616SS**Hα-helixtrans-82.5-22.8179.9-74.1-15.7000112.9K170 L171 N172K170-N174 PolarHBondContact O-N 2.94Å; K170-N174 PolarHBondContact O-ND2 3.13Å; L171-N174 PolarHBondContact O-N 3.22Å; N172-N174 PolarHBondContact O-N 3.09Å
175D61.4Low69.1Low121 Ų121113.1 Ų113.165%0.64765%0.646SS**Hα-helixtrans-79.9-29.9-177.8-149.213.8000112N172 G177 T178N172-D175 PolarHBondContact O-N 3.04Å; D175-G177 PolarHBondContact O-N 3.22Å; D175-T178 PolarHBondContact O-N 3.48Å; D175-T178 PolarHBondContact O-OG1 3.11Å
176D59.1Low67.1Low149 Ų149114.3 Ų114.380%0.79766%0.663SS**THydrogen-bonded Turntrans-70.3-11.3175.2-77.3-21.9000113.5
177G54.3Low65.2Low69 Ų69118.8 Ų118.871%0.71169%0.694SS**THydrogen-bonded Turntrans-84.1-5.9179.600000115.6D175D175-G177 PolarHBondContact O-N 3.22Å
178T53.4Low62.9Low112 Ų112121.7 Ų121.769%0.68772%0.72SS**SBendtrans-1142.6-1698.10000116.1D175 G180D175-T178 PolarHBondContact O-N 3.48Å; D175-T178 PolarHBondContact O-OG1 3.11Å; T178-G180 PolarHBondContact O-N 3.11Å
179Q47.5Very low60.9Low196 Ų196128.4 Ų128.492%0.91675%0.753SS**  trans-97.778.2172.1-73.2-176.81600111.3
180G43.1Very low59.3Low68 Ų68129.4 Ų129.470%0.70177%0.767SS**SBendtrans-173.138.1-178.900000116.6T178T178-G180 PolarHBondContact O-N 3.11Å
181C46.7Very low57.7Low135 Ų135130.4 Ų130.491%0.91278%0.782SS**  trans-16673.6162.3-116.20000109.9
182M52Low56.1Low194 Ų194131.4 Ų131.496%0.95679%0.793SS**  trans-79.7126.7161.5-89.5-168.7-86.200108.6
183G44.7Very low54.3Low75 Ų75132.5 Ų132.577%0.77380%0.804SS**  trans-62.4145.3-166.200000115.3
184L50.5Low52.6Low158 Ų158135.4 Ų135.483%0.82782%0.817SS**  trans-115.2113.7153.4-95.7140.1000107
185P49.4Very low51.5Low118 Ų118136.1 Ų136.177%0.76683%0.827SS**  trans-90101160.331.7-21000107.1
186C54.2Low50.8Low116 Ų116137.2 Ų137.278%0.78484%0.84SS**  trans-104.3106.9161.8-93.10000108.8
187V56.9Low50.1Low138 Ų138136.3 Ų136.384%0.83684%0.843SS**  trans-51.7138.6174169.30000111.2
188V48.2Very low49.8Very low136 Ų136141.9 Ų141.982%0.82485%0.854SS**  trans-69.7128.7168.1179.80000109.4
189M50.7Low49.4Very low257 Ų257144.6 Ų144.6100%1.26687%0.869SS**  trans-142.50149.5-130177.8167.600108.7

Retrieved 189 of 189 residues in 56.3 ms (Link to these results)

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