A0A096N2L3_PAPAN Loading...

Glutathione S-transferase

Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles. May govern uptake and detoxification of both endogenous compounds and xenobiotics at the testis and brain blood barriers.

AlphaFold DB (A0A2I3MSP2), UniProt , Accession A0A096N2L3, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 225 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
1M41Very low75.1Confident247 Ų24775.4 Ų75.4100%1.21743%0.431SS*.  086.20-72.2168.9137.600107.1C3M1-C3 PolarHBondContact O-N 3.45Å
2S42.8Very low77Confident102 Ų10271.9 Ų71.971%0.71341%0.406SS*.  trans-68.3126.4168.944.80000107E4S2-E4 PolarHBondContact O-N 2.86Å
3C42.9Very low78.6Confident129 Ų12971.2 Ų71.287%0.87240%0.401SS*.  trans-62.593.1165.1-165.50000105.8M1 S5M1-C3 PolarHBondContact O-N 3.45Å; C3-S5 PolarHBondContact O-N 3.22Å
4E56.4Low79.9Confident175 Ų17567 Ų6782%0.81838%0.376SS*.  trans-62.8107.6167.2-78.7-176.5164.900105.4S2 S6S2-E4 PolarHBondContact O-N 2.86Å; E4-S6 PolarHBondContact O-N 3Å
5S64.8Low81.1Confident75 Ų7562.5 Ų62.552%0.52435%0.351SS..PPolyproline II helixtrans-58.9122.9172.852.70000107.7C3C3-S5 PolarHBondContact O-N 3.22Å
6S87Confident82.1Confident35 Ų3559.1 Ų59.125%0.24533%0.334CS..PPolyproline II helixtrans-54.4145.9171.846.80000110.1E4 E33E4-S6 PolarHBondContact O-N 3Å; S6-E33 PolarHBondContact OG-OE1 2.65Å
7M96.6Very high83.1Confident11 Ų1159.1 Ų59.15%0.05433%0.333CS..EExtended strand (participates in β ladder)trans-62.2146.6173.7-67-172.5-174.300109.6L25 T30 S31 Y32 E33 L67 M68 D69 Y83 K87M7-L25 HydrophobicContact SD-CD2 4.05Å; M7-T30 HydrophobicContact CE-CG2 3.69Å; M7-T30 HydrophobicContact CG-CG2 4.26Å; M7-T30 HydrophobicContact SD-CG2 3.57Å; M7-T30 VanDerWaalsContact SD-CG2 3.57Å; M7-S31 PolarHBondContact N-O 2.9Å; M7-Y32 CarbonylContact O-C 3.5Å; M7-Y32 WeakPolarHBondContact O-CA 3.41Å; M7-Y32 WeakPolarHBondContact O-CB 3.38Å; M7-E33 PolarHBondContact O-N 2.89Å; M7-L67 HydrophobicContact CB-CD1 4.15Å; M7-L67 HydrophobicContact SD-CD1 4.33Å; M7-L67 HydrophobicContact SD-CD2 3.98Å; M7-M68 CarbonylContact C-O 3.57Å; M7-M68 VanDerWaalsContact CA-O 3.31Å; M7-M68 WeakPolarHBondContact CA-O 3.12Å; M7-D69 WeakPolarHBondContact CE-OD2 3.33Å; M7-D69 HydrophobicContact CG-CB 4.01Å; M7-Y83 HydrophobicContact CE-CE1 4.35Å; M7-K87 HydrophobicContact CE-CD 4.18Å
8V98.3Very high84Confident39 Ų3955.8 Ų55.824%0.23631%0.314CS..EExtended strand (participates in β ladder)trans-114.2113.1173.7-176.60000109.9E33 K35 Y66 L67 M68V8-E33 WeakPolarHBondContact CA-O 3.48Å; V8-K35 HydrophobicContact CG1-CB 4.19Å; V8-Y66 HydrophobicContact CG1-CE2 4.48Å; V8-L67 CarbonylContact O-C 3.49Å; V8-L67 WeakPolarHBondContact O-CA 3.43Å; V8-M68 HydrophobicContact CB-CB 4.25Å; V8-M68 PolarHBondContact N-O 2.92Å; V8-M68 PolarHBondContact O-N 3.01Å
9L98.8Very high84.7Confident0 Ų052.8 Ų52.80%030%0.298CS..EExtended strand (participates in β ladder)trans-90.4119.4170.917660.5000109.5I21 R22 L25 Y32 E33 E34 K35 P65 Y66 L67L9-I21 HydrophobicContact CD1-CD1 4.43Å; L9-I21 HydrophobicContact CD1-CG2 3.94Å; L9-I21 HydrophobicContact CD2-CG2 3.98Å; L9-R22 HydrophobicContact CD2-CG 3.81Å; L9-L25 HydrophobicContact CD2-CD1 4.16Å; L9-Y32 HydrophobicContact CB-CD2 4.26Å; L9-E33 PolarHBondContact N-O 2.77Å; L9-E34 HydrophobicContact CB-CG 4.44Å; L9-E34 HydrophobicContact CG-CG 4.44Å; L9-E34 CarbonylContact O-C 3.42Å; L9-E34 VanDerWaalsContact O-CA 3.32Å; L9-E34 WeakPolarHBondContact O-CA 3.28Å; L9-E34 WeakPolarHBondContact O-CG 3.26Å; L9-K35 PolarHBondContact O-N 3.38Å; L9-P65 HydrophobicContact CD1-CB 4.25Å; L9-Y66 WeakPolarHBondContact CD1-O 3.14Å; L9-L67 HydrophobicContact CB-CD1 4.27Å
10G98.8Very high85.4Confident0 Ų050.3 Ų50.30%028%0.283CS..EExtended strand (participates in β ladder)trans-102.7123.7173.600000112.1K35 L64 P65 Y66G10-K35 WeakPolarHBondContact CA-O 3.29Å; G10-L64 WeakPolarHBondContact O-CD2 3.49Å; G10-P65 VanDerWaalsContact O-CA 3.22Å; G10-P65 WeakPolarHBondContact O-CA 3.45Å; G10-Y66 VanDerWaalsContact CA-CZ 3.48Å; G10-Y66 PolarHBondContact N-O 2.8Å; G10-Y66 PolarHBondContact O-N 3.12Å; G10-Y66 VanDerWaalsContact O-N 3.08Å
11Y98.8Very high86.1Confident16 Ų1647.9 Ų47.96%0.06327%0.27CS..EExtended strand (participates in β ladder)trans-155.7172.8173.1-159.2-119.9000112.6I14 L17 A18 K35 R36 Y37 L64 P65Y11-I14 HydrophobicContact CD1-CG1 4.41Å; Y11-I14 HydrophobicContact CE1-CD1 4.27Å; Y11-I14 HydrophobicContact CE1-CG1 3.86Å; Y11-L17 HydrophobicContact CE2-CB 4.19Å; Y11-L17 WeakPolarHBondContact OH-CB 3.42Å; Y11-L17 PolarHBondContact OH-N 2.5Å; Y11-A18 HydrophobicContact CD1-CB 3.37Å; Y11-A18 HydrophobicContact CD2-CB 4.21Å; Y11-A18 HydrophobicContact CE1-CB 3.98Å; Y11-A18 HydrophobicContact CG-CB 3.5Å; Y11-K35 PolarHBondContact N-O 3.08Å; Y11-K35 VanDerWaalsContact N-O 3.08Å; Y11-R36 WeakPolarHBondContact O-CA 3.14Å; Y11-Y37 WeakPolarHBondContact O-CD2 3.5Å; Y11-Y37 PolarHBondContact O-N 3.11Å; Y11-L64 HydrophobicContact CD2-CB 3.81Å; Y11-L64 HydrophobicContact CE2-CB 4.08Å; Y11-P65 HydrophobicContact CD2-CB 3.61Å; Y11-P65 HydrophobicContact CD2-CG 4.23Å; Y11-P65 HydrophobicContact CE2-CB 4.24Å; Y11-P65 HydrophobicContact CE2-CG 4.37Å; Y11-P65 HydrophobicContact CG-CB 4.31Å
12W98.4Very high88.8Confident34 Ų3436.1 Ų36.113%0.12921%0.212CC..EExtended strand (participates in β ladder)trans-63.4152167-63.6115.6000110.8I14 Y37 R47 W50 L64W12-I14 HydrophobicContact CB-CD1 4Å; W12-I14 HydrophobicContact CB-CG1 3.87Å; W12-I14 PolarHBondContact O-N 2.61Å; W12-Y37 CarbonylContact C-O 3.43Å; W12-Y37 WeakPolarHBondContact CA-O 3.37Å; W12-R47 HydrophobicContact CH2-CB 3.88Å; W12-R47 HydrophobicContact CH2-CG 3.71Å; W12-R47 HydrophobicContact CZ2-CG 4.29Å; W12-R47 HydrophobicContact CZ3-CG 4.33Å; W12-W50 HydrophobicContact CH2-CB 3.41Å; W12-W50 VanDerWaalsContact CH2-CB 3.41Å; W12-W50 AromaticContact CH2-CD1 3.85Å; W12-W50 AromaticContact CH2-CG 3.95Å; W12-W50 HydrophobicContact CH2-CG 3.95Å; W12-W50 HydrophobicContact CZ2-CB 4.06Å; W12-W50 AromaticContact CZ2-CD1 3.64Å; W12-W50 HydrophobicContact CZ2-CG 4.09Å; W12-W50 HydrophobicContact CZ3-CB 3.94Å; W12-L64 HydrophobicContact CD2-CD1 3.9Å; W12-L64 VanDerWaalsContact CE2-CD1 3.48Å; W12-L64 HydrophobicContact CG-CD1 4.22Å; W12-L64 HydrophobicContact CH2-CD1 4.43Å; W12-L64 HydrophobicContact CZ2-CD1 3.79Å
13D97.4Very high91.5Very high63 Ų6331.2 Ų31.234%0.33718%0.178SC..SBendtrans-73.556.4174.7-166.724.1000112.1R36 Y37 T38 F208D13-R36 HydrophobicContact CB-CB 4.11Å; D13-R36 VanDerWaalsContact OD1-CD 3.29Å; D13-R36 WeakPolarHBondContact OD1-CD 3.33Å; D13-Y37 PolarHBondContact N-O 3.4Å; D13-T38 HydrophobicContact CB-CG2 4.04Å; D13-F208 WeakPolarHBondContact OD1-CE1 3.18Å; D13-F208 VanDerWaalsContact OD1-CZ 3.26Å; D13-F208 WeakPolarHBondContact OD1-CZ 3.14Å
14I97.3Very high94.2Very high12 Ų1225.1 Ų25.16%0.06214%0.136CC..SBendtrans-144.9169.7179.671-176.5000108Y11 W12 R22 P211 N214Y11-I14 HydrophobicContact CD1-CG1 4.41Å; Y11-I14 HydrophobicContact CE1-CD1 4.27Å; Y11-I14 HydrophobicContact CE1-CG1 3.86Å; W12-I14 HydrophobicContact CB-CD1 4Å; W12-I14 HydrophobicContact CB-CG1 3.87Å; W12-I14 PolarHBondContact O-N 2.61Å; I14-R22 PolarHBondContact O-NH1 3.34Å; I14-R22 PolarHBondContact O-NH2 3.41Å; I14-P211 HydrophobicContact CB-CG 4.08Å; I14-P211 HydrophobicContact CG2-CG 3.77Å; I14-N214 HydrophobicContact CD1-CB 3.84Å
15R97.8Very high96.2Very high0 Ų016.8 Ų16.80%010%0.097CC..SBendtrans-64-64170.5172.1176.6170.71667112A18 H19 R22 D166 D169 F208 K209 P211R15-A18 PolarHBondContact O-N 2.88Å; R15-H19 HydrophobicContact CG-CB 3.55Å; R15-H19 PolarHBondContact NE-CD2 2.87Å; R15-H19 PolarHBondContact O-N 3.43Å; R15-R22 PolarHBondContact O-NH1 3.22Å; R15-D166 IonicContact CZ-OD1 2.8Å; R15-D166 VanDerWaalsContact CZ-OD1 3.25Å; R15-D166 IonicContact NE-OD1 2.84Å; R15-D166 PolarHBondContact NE-OD1 3.36Å; R15-D166 PolarHBondContact NH2-O 2.95Å; R15-D166 IonicContact NH2-OD1 3.43Å; R15-D166 PolarHBondContact NH2-OD1 3.37Å; R15-D169 IonicContact CZ-OD2 3.58Å; R15-D169 IonicContact NH1-OD2 3.27Å; R15-D169 PolarHBondContact NH1-OD2 2.95Å; R15-D169 IonicContact NH2-OD2 2.7Å; R15-D169 PolarHBondContact NH2-OD2 3.41Å; R15-F208 HydrophobicContact CB-CB 4.29Å; R15-K209 WeakPolarHBondContact CD-O 3.32Å; R15-K209 PolarHBondContact NH1-O 3.27Å; R15-P211 VanDerWaalsContact CB-O 3.31Å; R15-P211 WeakPolarHBondContact CB-O 3.5Å; R15-P211 PolarHBondContact N-O 3.39Å
16G97.5Very high97.8Very high8 Ų815.4 Ų15.48%0.0828%0.083CC..G310 helixtrans40.1-141.5174.700000116.4A18 I212G16-A18 VanDerWaalsContact C-N 3.27Å; G16-A18 PolarHBondContact O-N 3.22Å; G16-I212 VanDerWaalsContact CA-O 3.26Å; G16-I212 WeakPolarHBondContact CA-O 3.36Å; G16-I212 PolarHBondContact N-O 3.22Å
17L98.3Very high98.3Very high58 Ų5816.2 Ų16.230%0.3048%0.082SC..G310 helixtrans-74.2-13.5-178.3-65.4171.6000113.8Y11Y11-L17 HydrophobicContact CE2-CB 4.19Å; Y11-L17 WeakPolarHBondContact OH-CB 3.42Å; Y11-L17 PolarHBondContact OH-N 2.5Å
18A98.6Very high98.4Very high0 Ų016.5 Ų16.50%08%0.084CC..G310 helixtrans-84.5-10.6-17900000113.5Y11 R15 G16 A20 I21 R22Y11-A18 HydrophobicContact CD1-CB 3.37Å; Y11-A18 HydrophobicContact CD2-CB 4.21Å; Y11-A18 HydrophobicContact CE1-CB 3.98Å; Y11-A18 HydrophobicContact CG-CB 3.5Å; R15-A18 PolarHBondContact O-N 2.88Å; G16-A18 VanDerWaalsContact C-N 3.27Å; G16-A18 PolarHBondContact O-N 3.22Å; A18-A20 PolarHBondContact O-N 3.46Å; A18-I21 WeakPolarHBondContact O-CA 3.34Å; A18-I21 WeakPolarHBondContact O-CB 3.44Å; A18-I21 PolarHBondContact O-N 2.83Å; A18-R22 WeakPolarHBondContact O-CG 3.48Å; A18-R22 PolarHBondContact O-N 3.31Å
19H98.7Very high98.3Very high0 Ų020.8 Ų20.80%011%0.106CC..Hα-helixtrans-58.9-50.4-173.4-165.266.4000113.5R15 I21 R22 L23 D166 F207 F208R15-H19 HydrophobicContact CG-CB 3.55Å; R15-H19 PolarHBondContact NE-CD2 2.87Å; R15-H19 PolarHBondContact O-N 3.43Å; H19-I21 PolarHBondContact O-N 2.88Å; H19-R22 PolarHBondContact O-N 3.45Å; H19-L23 WeakPolarHBondContact O-CG 3.47Å; H19-L23 PolarHBondContact O-N 2.92Å; H19-D166 IonicContact CD2-OD1 3.3Å; H19-D166 PolarHBondContact CD2-OD1 2.78Å; H19-D166 IonicContact CG-OD1 3.11Å; H19-F207 AromaticContact CE1-CE2 3.5Å; H19-F207 VanDerWaalsContact CE1-CE2 3.5Å; H19-F207 WeakPolarHBondContact CE1-CE2 3.48Å; H19-F207 AromaticContact CE1-CZ 3.92Å; H19-F207 AromaticContact NE2-CE2 4Å; H19-F208 PolarHBondContact CE1-O 3.03Å; H19-F208 VanDerWaalsContact CE1-O 3.28Å; H19-F208 PolarHBondContact ND1-O 3.25Å
20A98.8Very high98.2Very high1 Ų121.9 Ų21.91%0.00811%0.113CC..Hα-helixtrans-61.2-32.2176.700000112.3A18 L24 L81 F162 L163 D166A18-A20 PolarHBondContact O-N 3.46Å; A20-L24 WeakPolarHBondContact O-CB 3.39Å; A20-L24 PolarHBondContact O-N 3.4Å; A20-L81 HydrophobicContact CB-CD1 4.18Å; A20-L81 HydrophobicContact CB-CD2 4.24Å; A20-F162 HydrophobicContact CB-CB 4.23Å; A20-L163 HydrophobicContact CB-CD2 4.02Å; A20-L163 HydrophobicContact CB-CG 4.44Å; A20-D166 HydrophobicContact CB-CB 4.47Å
21I98.9Very high98Very high0 Ų026.3 Ų26.30%014%0.144CC..Hα-helixtrans-69.1-48.1177.4-60.6165.6000110L9 A18 H19 L24 L25 P65 I80 L81 I84L9-I21 HydrophobicContact CD1-CD1 4.43Å; L9-I21 HydrophobicContact CD1-CG2 3.94Å; L9-I21 HydrophobicContact CD2-CG2 3.98Å; A18-I21 WeakPolarHBondContact O-CA 3.34Å; A18-I21 WeakPolarHBondContact O-CB 3.44Å; A18-I21 PolarHBondContact O-N 2.83Å; H19-I21 PolarHBondContact O-N 2.88Å; I21-L24 PolarHBondContact O-N 3.05Å; I21-L25 HydrophobicContact CG2-CD1 3.89Å; I21-L25 HydrophobicContact CG2-CG 4.36Å; I21-L25 WeakPolarHBondContact O-CG 3.45Å; I21-L25 PolarHBondContact O-N 2.98Å; I21-P65 HydrophobicContact CD1-CB 4.1Å; I21-P65 HydrophobicContact CD1-CG 3.75Å; I21-I80 HydrophobicContact CD1-CB 4.08Å; I21-I80 HydrophobicContact CD1-CD1 4.18Å; I21-I80 HydrophobicContact CD1-CG2 3.82Å; I21-I80 HydrophobicContact CG1-CG2 4.06Å; I21-I80 HydrophobicContact CG2-CG2 3.79Å; I21-L81 HydrophobicContact CB-CD2 4.44Å; I21-L81 HydrophobicContact CG1-CD2 3.9Å; I21-L81 HydrophobicContact CG1-CG 3.84Å; I21-I84 HydrophobicContact CG2-CD1 3.97Å
22R98.8Very high97.9Very high0 Ų027.3 Ų27.30%015%0.148CC..Hα-helixtrans-57.2-51.5176.1-65.4173.6-170137.5-0110.4L9 I14 R15 A18 H19 L24 L25 E26 E34L9-R22 HydrophobicContact CD2-CG 3.81Å; I14-R22 PolarHBondContact O-NH1 3.34Å; I14-R22 PolarHBondContact O-NH2 3.41Å; R15-R22 PolarHBondContact O-NH1 3.22Å; A18-R22 WeakPolarHBondContact O-CG 3.48Å; A18-R22 PolarHBondContact O-N 3.31Å; H19-R22 PolarHBondContact O-N 3.45Å; R22-L24 VanDerWaalsContact C-N 3.27Å; R22-L24 PolarHBondContact O-N 3.21Å; R22-L25 PolarHBondContact O-N 2.91Å; R22-E26 WeakPolarHBondContact O-CG 3.31Å; R22-E26 PolarHBondContact O-N 3.07Å; R22-E34 IonicContact CZ-OE1 3.69Å; R22-E34 IonicContact NE-OE1 3.41Å; R22-E34 PolarHBondContact NE-OE1 2.88Å; R22-E34 IonicContact NE-OE2 2.95Å; R22-E34 IonicContact NH2-OE1 3.18Å; R22-E34 PolarHBondContact NH2-OE1 2.77Å
23L98.8Very high97.9Very high0 Ų031.5 Ų31.50%017%0.169CC..Hα-helixtrans-55.3-42176.8-69.8168.6000112.4H19 F27 F162 Y165 F192 I198 Y201 F207H19-L23 WeakPolarHBondContact O-CG 3.47Å; H19-L23 PolarHBondContact O-N 2.92Å; L23-F27 WeakPolarHBondContact O-CB 3.4Å; L23-F27 PolarHBondContact O-N 3.02Å; L23-F162 HydrophobicContact CB-CD1 3.7Å; L23-F162 HydrophobicContact CB-CE1 4.28Å; L23-F162 WeakPolarHBondContact O-CE1 3.32Å; L23-Y165 HydrophobicContact CD1-CD1 3.66Å; L23-Y165 HydrophobicContact CD1-CE1 3.93Å; L23-F192 HydrophobicContact CD1-CE1 4.22Å; L23-F192 HydrophobicContact CD1-CZ 4.41Å; L23-I198 HydrophobicContact CB-CD1 4.26Å; L23-I198 HydrophobicContact CD2-CD1 4.08Å; L23-I198 HydrophobicContact CD2-CG2 4.37Å; L23-I198 WeakPolarHBondContact O-CD1 3.37Å; L23-Y201 HydrophobicContact CD2-CD1 3.81Å; L23-Y201 HydrophobicContact CD2-CE1 3.93Å; L23-F207 HydrophobicContact CD2-CE2 4.48Å
24L98.8Very high97.9Very high0 Ų030.3 Ų30.30%016%0.161CC..Hα-helixtrans-68.4-43.2179.4-175.662.3000112A20 I21 R22 E26 F27 T28 L81 I84 M90 F159 F162A20-L24 WeakPolarHBondContact O-CB 3.39Å; A20-L24 PolarHBondContact O-N 3.4Å; I21-L24 PolarHBondContact O-N 3.05Å; R22-L24 VanDerWaalsContact C-N 3.27Å; R22-L24 PolarHBondContact O-N 3.21Å; L24-E26 VanDerWaalsContact C-N 3.33Å; L24-E26 PolarHBondContact O-N 2.83Å; L24-F27 PolarHBondContact O-N 3.35Å; L24-T28 HydrophobicContact CD1-CG2 4.07Å; L24-T28 HydrophobicContact CG-CG2 4.46Å; L24-T28 WeakPolarHBondContact O-CG2 3.44Å; L24-T28 PolarHBondContact O-N 3.21Å; L24-T28 PolarHBondContact O-OG1 2.68Å; L24-L81 HydrophobicContact CB-CD2 4.13Å; L24-L81 HydrophobicContact CD2-CD2 3.68Å; L24-I84 HydrophobicContact CD2-CB 3.84Å; L24-I84 HydrophobicContact CD2-CG2 3.77Å; L24-I84 HydrophobicContact CG-CB 4.43Å; L24-I84 HydrophobicContact CG-CG2 3.83Å; L24-M90 HydrophobicContact CD1-CE 3.88Å; L24-M90 HydrophobicContact CD1-SD 3.93Å; L24-F159 HydrophobicContact CD2-CB 4.08Å; L24-F162 HydrophobicContact CB-CD1 3.9Å; L24-F162 HydrophobicContact CB-CE1 4.15Å; L24-F162 HydrophobicContact CB-CG 4.3Å; L24-F162 HydrophobicContact CD1-CD1 4.25Å; L24-F162 HydrophobicContact CD1-CD2 4.03Å; L24-F162 HydrophobicContact CD1-CE1 3.97Å; L24-F162 HydrophobicContact CD1-CE2 3.74Å; L24-F162 HydrophobicContact CD1-CG 4.31Å; L24-F162 HydrophobicContact CD1-CZ 3.72Å
25L98.6Very high97.9Very high0 Ų035 Ų350%018%0.181CC..Hα-helixtrans-59.5-44.4176.4-71.9166.5000111.5M7 L9 I21 R22 T28 D29 T30 Y32 I84M7-L25 HydrophobicContact SD-CD2 4.05Å; L9-L25 HydrophobicContact CD2-CD1 4.16Å; I21-L25 HydrophobicContact CG2-CD1 3.89Å; I21-L25 HydrophobicContact CG2-CG 4.36Å; I21-L25 WeakPolarHBondContact O-CG 3.45Å; I21-L25 PolarHBondContact O-N 2.98Å; R22-L25 PolarHBondContact O-N 2.91Å; L25-T28 PolarHBondContact O-N 2.76Å; L25-T28 PolarHBondContact O-OG1 3.05Å; L25-D29 PolarHBondContact O-N 3.26Å; L25-D29 VanDerWaalsContact O-N 3.09Å; L25-T30 HydrophobicContact CD2-CG2 3.66Å; L25-T30 PolarHBondContact O-N 3.39Å; L25-Y32 HydrophobicContact CB-CD1 3.89Å; L25-Y32 HydrophobicContact CB-CE1 3.91Å; L25-Y32 HydrophobicContact CB-CG 4.46Å; L25-Y32 HydrophobicContact CD1-CD1 4.05Å; L25-Y32 HydrophobicContact CD1-CD2 3.8Å; L25-Y32 HydrophobicContact CD1-CE1 4.37Å; L25-Y32 HydrophobicContact CD1-CE2 4.12Å; L25-Y32 HydrophobicContact CD1-CG 3.77Å; L25-Y32 HydrophobicContact CG-CD1 4.44Å; L25-I84 HydrophobicContact CD2-CD1 3.7Å; L25-I84 HydrophobicContact CD2-CG1 4.23Å; L25-I84 HydrophobicContact CG-CD1 3.94Å
26E98.4Very high97.9Very high46 Ų4639.3 Ų39.322%0.21520%0.197CC..Hα-helixtrans-63.8-46.8176.2-63.9-69.5156.200111.3R22 L24 T28 D29 Y32 Y201R22-E26 WeakPolarHBondContact O-CG 3.31Å; R22-E26 PolarHBondContact O-N 3.07Å; L24-E26 VanDerWaalsContact C-N 3.33Å; L24-E26 PolarHBondContact O-N 2.83Å; E26-T28 VanDerWaalsContact C-N 3.31Å; E26-T28 PolarHBondContact O-N 2.7Å; E26-D29 PolarHBondContact O-N 3.27Å; E26-Y32 VanDerWaalsContact OE1-CE1 3.26Å; E26-Y32 WeakPolarHBondContact OE1-CE1 3.19Å; E26-Y32 PolarHBondContact OE1-OH 3.48Å; E26-Y201 HydrophobicContact CB-CD1 4.36Å; E26-Y201 HydrophobicContact CB-CD2 4.34Å; E26-Y201 HydrophobicContact CB-CG 4.04Å; E26-Y201 HydrophobicContact CG-CD1 3.94Å; E26-Y201 HydrophobicContact CG-CD2 3.45Å; E26-Y201 VanDerWaalsContact CG-CD2 3.45Å; E26-Y201 HydrophobicContact CG-CE1 4.12Å; E26-Y201 HydrophobicContact CG-CE2 3.68Å; E26-Y201 HydrophobicContact CG-CG 3.58Å
27F98.6Very high97.9Very high52 Ų5239.2 Ų39.223%0.22819%0.194CC..Hα-helixtrans-61.9-38.5177.5178.9-96.7000112.9L23 L24 D29 M90 L157 F162 L195 K197 I198L23-F27 WeakPolarHBondContact O-CB 3.4Å; L23-F27 PolarHBondContact O-N 3.02Å; L24-F27 PolarHBondContact O-N 3.35Å; F27-D29 PolarHBondContact O-N 3.26Å; F27-M90 HydrophobicContact CD1-CE 3.87Å; F27-M90 HydrophobicContact CD1-SD 4.23Å; F27-M90 HydrophobicContact CE1-CE 3.65Å; F27-M90 HydrophobicContact CE1-SD 4.11Å; F27-L157 HydrophobicContact CD1-CD2 4.32Å; F27-L157 HydrophobicContact CD2-CD2 4.36Å; F27-L157 HydrophobicContact CE1-CD2 3.69Å; F27-L157 HydrophobicContact CE2-CD2 3.74Å; F27-L157 HydrophobicContact CZ-CD2 3.36Å; F27-F162 HydrophobicContact CB-CE1 3.62Å; F27-F162 HydrophobicContact CB-CZ 3.7Å; F27-F162 HydrophobicContact CD1-CE1 4.46Å; F27-F162 AromaticContact CD1-CZ 3.67Å; F27-F162 HydrophobicContact CD1-CZ 3.67Å; F27-F162 HydrophobicContact CD2-CZ 4.25Å; F27-F162 HydrophobicContact CE1-CZ 4.4Å; F27-F162 HydrophobicContact CG-CE1 4.04Å; F27-F162 AromaticContact CG-CZ 3.59Å; F27-F162 HydrophobicContact CG-CZ 3.59Å; F27-L195 HydrophobicContact CD2-CD1 4.23Å; F27-L195 HydrophobicContact CE2-CB 4.38Å; F27-L195 HydrophobicContact CE2-CD1 3.98Å; F27-L195 HydrophobicContact CE2-CD2 4.36Å; F27-L195 HydrophobicContact CE2-CG 4.48Å; F27-K197 WeakPolarHBondContact O-CD 3.35Å; F27-K197 PolarHBondContact O-NZ 2.9Å; F27-I198 HydrophobicContact CB-CD1 3.9Å; F27-I198 HydrophobicContact CB-CG1 4.49Å; F27-I198 HydrophobicContact CD2-CG1 4.21Å
28T98.1Very high97.8Very high18 Ų1839.2 Ų39.211%0.1120%0.197CC..Hα-helixtrans-80.8-3.617858.50000113L24 L25 E26 T30 I84 H88 M90L24-T28 HydrophobicContact CD1-CG2 4.07Å; L24-T28 HydrophobicContact CG-CG2 4.46Å; L24-T28 WeakPolarHBondContact O-CG2 3.44Å; L24-T28 PolarHBondContact O-N 3.21Å; L24-T28 PolarHBondContact O-OG1 2.68Å; L25-T28 PolarHBondContact O-N 2.76Å; L25-T28 PolarHBondContact O-OG1 3.05Å; E26-T28 VanDerWaalsContact C-N 3.31Å; E26-T28 PolarHBondContact O-N 2.7Å; T28-T30 PolarHBondContact O-N 3.46Å; T28-T30 PolarHBondContact OG1-OG1 3.34Å; T28-I84 HydrophobicContact CG2-CG2 4.41Å; T28-H88 HydrophobicContact CG2-CB 4.15Å; T28-H88 VanDerWaalsContact CG2-CD2 3.44Å; T28-H88 WeakPolarHBondContact CG2-CD2 3.43Å; T28-M90 HydrophobicContact CG2-SD 3.98Å
29D96.5Very high97.7Very high128 Ų12839.5 Ų39.568%0.68420%0.199SC*.THydrogen-bonded Turntrans52.641.5-173.7-171.839.8000111.7L25 E26 F27 K197L25-D29 PolarHBondContact O-N 3.26Å; L25-D29 VanDerWaalsContact O-N 3.09Å; E26-D29 PolarHBondContact O-N 3.27Å; F27-D29 PolarHBondContact O-N 3.26Å; D29-K197 HydrophobicContact CB-CD 4.49Å
30T95.9Very high97.6Very high23 Ų2340.6 Ų40.614%0.14121%0.21CC..  trans-85.7122.2178.9-65.30000108.6M7 L25 T28 Y32M7-T30 HydrophobicContact CE-CG2 3.69Å; M7-T30 HydrophobicContact CG-CG2 4.26Å; M7-T30 HydrophobicContact SD-CG2 3.57Å; M7-T30 VanDerWaalsContact SD-CG2 3.57Å; L25-T30 HydrophobicContact CD2-CG2 3.66Å; L25-T30 PolarHBondContact O-N 3.39Å; T28-T30 PolarHBondContact O-N 3.46Å; T28-T30 PolarHBondContact OG1-OG1 3.34Å; T30-Y32 WeakPolarHBondContact O-CD1 3.4Å; T30-Y32 PolarHBondContact O-N 2.77Å
31S95.2Very high97.4Very high94 Ų9446.9 Ų46.966%0.65724%0.239SC*.  trans-66123.7173.7-174.10000111.1M7M7-S31 PolarHBondContact N-O 2.9Å
32Y97.3Very high97.1Very high36 Ų3649.7 Ų49.714%0.14126%0.263CS..EExtended strand (participates in β ladder)trans-143.6154.5177.474.5-72.5000111.8M7 L9 L25 E26 T30 E34M7-Y32 CarbonylContact O-C 3.5Å; M7-Y32 WeakPolarHBondContact O-CA 3.41Å; M7-Y32 WeakPolarHBondContact O-CB 3.38Å; L9-Y32 HydrophobicContact CB-CD2 4.26Å; L25-Y32 HydrophobicContact CB-CD1 3.89Å; L25-Y32 HydrophobicContact CB-CE1 3.91Å; L25-Y32 HydrophobicContact CB-CG 4.46Å; L25-Y32 HydrophobicContact CD1-CD1 4.05Å; L25-Y32 HydrophobicContact CD1-CD2 3.8Å; L25-Y32 HydrophobicContact CD1-CE1 4.37Å; L25-Y32 HydrophobicContact CD1-CE2 4.12Å; L25-Y32 HydrophobicContact CD1-CG 3.77Å; L25-Y32 HydrophobicContact CG-CD1 4.44Å; E26-Y32 VanDerWaalsContact OE1-CE1 3.26Å; E26-Y32 WeakPolarHBondContact OE1-CE1 3.19Å; E26-Y32 PolarHBondContact OE1-OH 3.48Å; T30-Y32 WeakPolarHBondContact O-CD1 3.4Å; T30-Y32 PolarHBondContact O-N 2.77Å; Y32-E34 HydrophobicContact CE2-CB 4.37Å
33E97.3Very high96.9Very high122 Ų12255 Ų5557%0.5730%0.297SS*.EExtended strand (participates in β ladder)trans-107.3150.3163.6-67.8-179.7-168.900109.2S6 M7 V8 L9S6-E33 PolarHBondContact OG-OE1 2.65Å; M7-E33 PolarHBondContact O-N 2.89Å; V8-E33 WeakPolarHBondContact CA-O 3.48Å; L9-E33 PolarHBondContact N-O 2.77Å
34E97.4Very high96.7Very high38 Ų3861.6 Ų61.618%0.17833%0.332CS..EExtended strand (participates in β ladder)trans-113.7118.4176.8-163177.6-171.800111.7L9 R22 Y32 R36L9-E34 HydrophobicContact CB-CG 4.44Å; L9-E34 HydrophobicContact CG-CG 4.44Å; L9-E34 CarbonylContact O-C 3.42Å; L9-E34 VanDerWaalsContact O-CA 3.32Å; L9-E34 WeakPolarHBondContact O-CA 3.28Å; L9-E34 WeakPolarHBondContact O-CG 3.26Å; R22-E34 IonicContact CZ-OE1 3.69Å; R22-E34 IonicContact NE-OE1 3.41Å; R22-E34 PolarHBondContact NE-OE1 2.88Å; R22-E34 IonicContact NE-OE2 2.95Å; R22-E34 IonicContact NH2-OE1 3.18Å; R22-E34 PolarHBondContact NH2-OE1 2.77Å; Y32-E34 HydrophobicContact CE2-CB 4.37Å; E34-R36 HydrophobicContact CB-CG 4.4Å; E34-R36 HydrophobicContact CG-CG 3.83Å; E34-R36 PolarHBondContact O-N 2.85Å; E34-R36 IonicContact OE1-NE 2.68Å; E34-R36 IonicContact OE2-CZ 2.74Å; E34-R36 VanDerWaalsContact OE2-CZ 3.27Å; E34-R36 IonicContact OE2-NE 2.69Å; E34-R36 PolarHBondContact OE2-NE 3.32Å; E34-R36 IonicContact OE2-NH2 2.85Å; E34-R36 PolarHBondContact OE2-NH2 2.96Å
35K98.1Very high96.6Very high110 Ų11065 Ų6548%0.47835%0.346SS..EExtended strand (participates in β ladder)trans-86.899.4168.5-17465175.7-1780109.1V8 L9 G10 Y11 Y37V8-K35 HydrophobicContact CG1-CB 4.19Å; L9-K35 PolarHBondContact O-N 3.38Å; G10-K35 WeakPolarHBondContact CA-O 3.29Å; Y11-K35 PolarHBondContact N-O 3.08Å; Y11-K35 VanDerWaalsContact N-O 3.08Å; K35-Y37 HydrophobicContact CG-CE1 4.18Å; K35-Y37 HydrophobicContact CG-CE2 3.89Å; K35-Y37 WeakPolarHBondContact CG-OH 3.38Å
36R97.7Very high96.6Very high92 Ų9269 Ų6935%0.34737%0.367SS..EExtended strand (participates in β ladder)trans-90.3126177.9-58.9-174-172.8156.15.4111.1Y11 D13 E34 F208Y11-R36 WeakPolarHBondContact O-CA 3.14Å; D13-R36 HydrophobicContact CB-CB 4.11Å; D13-R36 VanDerWaalsContact OD1-CD 3.29Å; D13-R36 WeakPolarHBondContact OD1-CD 3.33Å; E34-R36 HydrophobicContact CB-CG 4.4Å; E34-R36 HydrophobicContact CG-CG 3.83Å; E34-R36 PolarHBondContact O-N 2.85Å; E34-R36 IonicContact OE1-NE 2.68Å; E34-R36 IonicContact OE2-CZ 2.74Å; E34-R36 VanDerWaalsContact OE2-CZ 3.27Å; E34-R36 IonicContact OE2-NE 2.69Å; E34-R36 PolarHBondContact OE2-NE 3.32Å; E34-R36 IonicContact OE2-NH2 2.85Å; E34-R36 PolarHBondContact OE2-NH2 2.96Å; R36-F208 VanDerWaalsContact CZ-CZ 3.5Å; R36-F208 VanDerWaalsContact NH1-CE2 3.31Å; R36-F208 VanDerWaalsContact NH1-CZ 3.32Å; R36-F208 VanDerWaalsContact NH2-CE2 3.33Å
37Y98.3Very high96.5Very high5 Ų573.1 Ų73.12%0.0238%0.381CS..EExtended strand (participates in β ladder)trans-100.8138.1172.4-59.6-79.1000109.2Y11 W12 D13 K35 Q49 W50 V53 L64 Y66Y11-Y37 WeakPolarHBondContact O-CD2 3.5Å; Y11-Y37 PolarHBondContact O-N 3.11Å; W12-Y37 CarbonylContact C-O 3.43Å; W12-Y37 WeakPolarHBondContact CA-O 3.37Å; D13-Y37 PolarHBondContact N-O 3.4Å; K35-Y37 HydrophobicContact CG-CE1 4.18Å; K35-Y37 HydrophobicContact CG-CE2 3.89Å; K35-Y37 WeakPolarHBondContact CG-OH 3.38Å; Y37-Q49 HydrophobicContact CD1-CB 4.07Å; Y37-Q49 WeakPolarHBondContact CD1-O 3Å; Y37-Q49 WeakPolarHBondContact CE1-O 3.38Å; Y37-W50 HydrophobicContact CD1-CB 3.99Å; Y37-W50 HydrophobicContact CD2-CE3 4.35Å; Y37-W50 HydrophobicContact CE1-CE3 4.11Å; Y37-W50 AromaticContact CE2-CE3 3.89Å; Y37-W50 HydrophobicContact CE2-CE3 3.89Å; Y37-W50 HydrophobicContact CE2-CZ3 4.34Å; Y37-W50 HydrophobicContact CG-CB 4.03Å; Y37-W50 AromaticContact CZ-CE3 3.74Å; Y37-V53 HydrophobicContact CE1-CG2 3.63Å; Y37-V53 WeakPolarHBondContact OH-CG2 3.45Å; Y37-L64 HydrophobicContact CD2-CD1 4.04Å; Y37-L64 HydrophobicContact CD2-CD2 3.92Å; Y37-L64 HydrophobicContact CE2-CD2 3.81Å; Y37-Y66 AromaticContact CE2-CE1 3.86Å; Y37-Y66 HydrophobicContact CE2-CE1 3.86Å; Y37-Y66 PolarHBondContact OH-OH 2.85Å
38T96.4Very high96.5Very high58 Ų5872.4 Ų72.436%0.35638%0.382SS..PPolyproline II helixtrans-101.814717661.30000111.4D13 Q49D13-T38 HydrophobicContact CB-CG2 4.04Å; T38-Q49 VanDerWaalsContact OG1-CD 3.27Å; T38-Q49 PolarHBondContact OG1-NE2 3Å; T38-Q49 VanDerWaalsContact OG1-NE2 3.07Å; T38-Q49 PolarHBondContact OG1-OE1 2.8Å
39C96Very high96.5Very high7 Ų775.9 Ų75.95%0.04740%0.397CS..PPolyproline II helixtrans-95.9134.6166.7-172.70000108.3D46 N214 K215 M216C39-D46 CarbonylContact C-O 3.45Å; C39-D46 WeakPolarHBondContact CA-O 3.48Å; C39-N214 WeakPolarHBondContact CB-OD1 3.48Å; C39-K215 WeakPolarHBondContact O-CE 3.43Å; C39-K215 PolarHBondContact O-NZ 3.09Å; C39-M216 VanDerWaalsContact SG-SD 3.69Å
40G95.2Very high96.5Very high23 Ų2370.3 Ų70.324%0.23737%0.367CS..PPolyproline II helixtrans-63.8173.7174.600000113.1D46 K215G40-D46 PolarHBondContact N-O 2.95Å; G40-K215 VanDerWaalsContact O-CD 3.25Å; G40-K215 WeakPolarHBondContact O-CD 3.15Å
41E95Very high96.6Very high132 Ų13273.4 Ų73.462%0.61738%0.382SS*.PPolyproline II helixtrans-75.7164.6177-63.3-54.6143.200112.6D44 Y45 K215E41-D44 PolarHBondContact O-N 3.07Å; E41-Y45 PolarHBondContact O-N 3.21Å; E41-K215 WeakPolarHBondContact OE1-CE 3.38Å; E41-K215 IonicContact OE1-NZ 3.51Å; E41-K215 PolarHBondContact OE1-NZ 2.92Å; E41-K215 IonicContact OE2-NZ 2.8Å
42A93Very high96.8Very high59 Ų5973.6 Ų73.649%0.48838%0.375SS..THydrogen-bonded Turntrans-61.9150.3169.400000111.2Y45A42-Y45 HydrophobicContact CB-CE1 3.78Å; A42-Y45 HydrophobicContact CB-CE2 4.24Å; A42-Y45 WeakPolarHBondContact CB-OH 3.45Å
43P94.1Very high96.8Very high111 Ų11174 Ų7472%0.72138%0.381SS*.THydrogen-bonded Turncis-86.3-10.91.334.9-35.3000114.3Y45P43-Y45 WeakPolarHBondContact O-CD2 3.42Å
44D95.9Very high96.8Very high139 Ų13970.6 Ų70.674%0.74337%0.365SS*.THydrogen-bonded Turntrans-78.9-31.7-166.9-62-30000113.1E41 D46E41-D44 PolarHBondContact O-N 3.07Å; D44-D46 VanDerWaalsContact C-N 3.29Å; D44-D46 PolarHBondContact O-N 3.41Å
45Y96Very high96.8Very high73 Ų7376.3 Ų76.329%0.28639%0.389SS..  trans47.552.7-178.5-58.7-67.6000111.9E41 A42 P43 R47 K215 M216E41-Y45 PolarHBondContact O-N 3.21Å; A42-Y45 HydrophobicContact CB-CE1 3.78Å; A42-Y45 HydrophobicContact CB-CE2 4.24Å; A42-Y45 WeakPolarHBondContact CB-OH 3.45Å; P43-Y45 WeakPolarHBondContact O-CD2 3.42Å; Y45-R47 WeakPolarHBondContact O-CG 3.34Å; Y45-R47 PolarHBondContact O-N 3.42Å; Y45-K215 HydrophobicContact CD1-CB 4.01Å; Y45-K215 HydrophobicContact CE1-CB 3.89Å; Y45-M216 HydrophobicContact CD1-CG 3.78Å; Y45-M216 HydrophobicContact CD1-SD 3.42Å; Y45-M216 WeakPolarHBondContact CD1-SD 3.35Å; Y45-M216 HydrophobicContact CD2-CG 3.79Å; Y45-M216 HydrophobicContact CD2-SD 4.32Å; Y45-M216 HydrophobicContact CE1-CG 3.92Å; Y45-M216 HydrophobicContact CE1-SD 3.99Å; Y45-M216 HydrophobicContact CE2-CG 3.93Å; Y45-M216 HydrophobicContact CG-CG 3.69Å; Y45-M216 HydrophobicContact CG-SD 3.59Å; Y45-M216 VanDerWaalsContact CG-SD 3.59Å
46D97.4Very high96.8Very high84 Ų8478.8 Ų78.845%0.44940%0.4SS..  trans-56131.9-174.6178.237.5000111.6C39 G40 D44 S48C39-D46 CarbonylContact C-O 3.45Å; C39-D46 WeakPolarHBondContact CA-O 3.48Å; G40-D46 PolarHBondContact N-O 2.95Å; D44-D46 VanDerWaalsContact C-N 3.29Å; D44-D46 PolarHBondContact O-N 3.41Å; D46-S48 VanDerWaalsContact OD1-CB 3.28Å; D46-S48 WeakPolarHBondContact OD1-CB 3.38Å; D46-S48 PolarHBondContact OD1-N 2.9Å; D46-S48 PolarHBondContact OD1-OG 3.32Å; D46-S48 WeakPolarHBondContact OD2-CB 2.95Å; D46-S48 PolarHBondContact OD2-OG 3.48Å
47R97.4Very high96.8Very high131 Ų13176.2 Ų76.249%0.49439%0.393SS..  trans-122.913-178.6-73.9173.1-65167.53.2111.8W12 Y45 Q49 W50 L51W12-R47 HydrophobicContact CH2-CB 3.88Å; W12-R47 HydrophobicContact CH2-CG 3.71Å; W12-R47 HydrophobicContact CZ2-CG 4.29Å; W12-R47 HydrophobicContact CZ3-CG 4.33Å; Y45-R47 WeakPolarHBondContact O-CG 3.34Å; Y45-R47 PolarHBondContact O-N 3.42Å; R47-Q49 PolarHBondContact O-N 3.03Å; R47-W50 PolarHBondContact O-N 3.48Å; R47-L51 HydrophobicContact CB-CD1 4.04Å; R47-L51 HydrophobicContact CB-CG 4.17Å; R47-L51 WeakPolarHBondContact O-CG 3.17Å; R47-L51 PolarHBondContact O-N 3.18Å
48S97.8Very high96.7Very high38 Ų3881.7 Ų81.727%0.26642%0.423SS..Hα-helixtrans-47.4-45-178.360.70000112.6D46 W50 L51 D52D46-S48 VanDerWaalsContact OD1-CB 3.28Å; D46-S48 WeakPolarHBondContact OD1-CB 3.38Å; D46-S48 PolarHBondContact OD1-N 2.9Å; D46-S48 PolarHBondContact OD1-OG 3.32Å; D46-S48 WeakPolarHBondContact OD2-CB 2.95Å; D46-S48 PolarHBondContact OD2-OG 3.48Å; S48-W50 CarbonylContact O-C 3.56Å; S48-W50 PolarHBondContact O-N 3.37Å; S48-L51 PolarHBondContact O-N 3.18Å; S48-L51 VanDerWaalsContact O-N 3.07Å; S48-D52 VanDerWaalsContact O-CB 3.24Å; S48-D52 WeakPolarHBondContact O-CB 3.36Å; S48-D52 PolarHBondContact O-N 2.91Å
49Q97.8Very high96.8Very high90 Ų9079.6 Ų79.642%0.42141%0.409SS..Hα-helixtrans-49.7-39.3179.3-67.2-166.8-1.300113.6Y37 T38 R47Y37-Q49 HydrophobicContact CD1-CB 4.07Å; Y37-Q49 WeakPolarHBondContact CD1-O 3Å; Y37-Q49 WeakPolarHBondContact CE1-O 3.38Å; T38-Q49 VanDerWaalsContact OG1-CD 3.27Å; T38-Q49 PolarHBondContact OG1-NE2 3Å; T38-Q49 VanDerWaalsContact OG1-NE2 3.07Å; T38-Q49 PolarHBondContact OG1-OE1 2.8Å; R47-Q49 PolarHBondContact O-N 3.03Å
50W98.3Very high96.9Very high12 Ų1286 Ų865%0.04544%0.443CS..Hα-helixtrans-86.3-47.7175168.9-131000111.9W12 Y37 R47 S48 D52 V53 K54 L57 L59 L64 Y66W12-W50 HydrophobicContact CH2-CB 3.41Å; W12-W50 VanDerWaalsContact CH2-CB 3.41Å; W12-W50 AromaticContact CH2-CD1 3.85Å; W12-W50 AromaticContact CH2-CG 3.95Å; W12-W50 HydrophobicContact CH2-CG 3.95Å; W12-W50 HydrophobicContact CZ2-CB 4.06Å; W12-W50 AromaticContact CZ2-CD1 3.64Å; W12-W50 HydrophobicContact CZ2-CG 4.09Å; W12-W50 HydrophobicContact CZ3-CB 3.94Å; Y37-W50 HydrophobicContact CD1-CB 3.99Å; Y37-W50 HydrophobicContact CD2-CE3 4.35Å; Y37-W50 HydrophobicContact CE1-CE3 4.11Å; Y37-W50 AromaticContact CE2-CE3 3.89Å; Y37-W50 HydrophobicContact CE2-CE3 3.89Å; Y37-W50 HydrophobicContact CE2-CZ3 4.34Å; Y37-W50 HydrophobicContact CG-CB 4.03Å; Y37-W50 AromaticContact CZ-CE3 3.74Å; R47-W50 PolarHBondContact O-N 3.48Å; S48-W50 CarbonylContact O-C 3.56Å; S48-W50 PolarHBondContact O-N 3.37Å; W50-D52 PolarHBondContact O-N 3.3Å; W50-V53 HydrophobicContact CE3-CG2 3.82Å; W50-V53 HydrophobicContact CZ3-CG2 4.15Å; W50-V53 WeakPolarHBondContact O-CG2 3.33Å; W50-V53 PolarHBondContact O-N 3.4Å; W50-V53 VanDerWaalsContact O-N 3.11Å; W50-K54 HydrophobicContact CD2-CB 4.16Å; W50-K54 HydrophobicContact CE3-CB 4.36Å; W50-K54 HydrophobicContact CH2-CB 4.05Å; W50-K54 HydrophobicContact CH2-CG 4Å; W50-K54 HydrophobicContact CZ2-CB 3.83Å; W50-K54 HydrophobicContact CZ2-CD 3.96Å; W50-K54 HydrophobicContact CZ2-CG 3.51Å; W50-K54 HydrophobicContact CZ3-CB 4.3Å; W50-K54 WeakPolarHBondContact O-CB 3.35Å; W50-K54 PolarHBondContact O-N 3.35Å; W50-L57 HydrophobicContact CH2-CD1 4.23Å; W50-L57 HydrophobicContact CZ3-CD1 3.67Å; W50-L59 HydrophobicContact CH2-CD1 4.34Å; W50-L64 HydrophobicContact CB-CD1 4.36Å; W50-L64 HydrophobicContact CD2-CD1 3.74Å; W50-L64 HydrophobicContact CD2-CD2 4.19Å; W50-L64 HydrophobicContact CD2-CG 3.9Å; W50-L64 HydrophobicContact CE3-CD1 4.32Å; W50-L64 HydrophobicContact CE3-CD2 4.04Å; W50-L64 HydrophobicContact CE3-CG 4.27Å; W50-L64 HydrophobicContact CG-CD1 3.71Å; W50-L64 HydrophobicContact CG-CG 4.38Å; W50-L64 HydrophobicContact CH2-CD2 4.1Å; W50-L64 HydrophobicContact CH2-CG 4.26Å; W50-L64 HydrophobicContact CZ2-CD2 4.23Å; W50-L64 HydrophobicContact CZ2-CG 3.88Å; W50-L64 HydrophobicContact CZ3-CD2 4Å; W50-L64 HydrophobicContact CZ3-CG 4.44Å; W50-Y66 HydrophobicContact CH2-CD1 4.14Å; W50-Y66 HydrophobicContact CH2-CE1 4.26Å; W50-Y66 HydrophobicContact CZ3-CD1 4.12Å; W50-Y66 AromaticContact CZ3-CE1 3.77Å; W50-Y66 HydrophobicContact CZ3-CE1 3.77Å
51L97.8Very high97Very high88 Ų8892.3 Ų92.346%0.46146%0.464SS..Hα-helixtrans-61.4-32.9-173.7-65.3178.9000112.5R47 S48 V53R47-L51 HydrophobicContact CB-CD1 4.04Å; R47-L51 HydrophobicContact CB-CG 4.17Å; R47-L51 WeakPolarHBondContact O-CG 3.17Å; R47-L51 PolarHBondContact O-N 3.18Å; S48-L51 PolarHBondContact O-N 3.18Å; S48-L51 VanDerWaalsContact O-N 3.07Å; L51-V53 VanDerWaalsContact C-N 3.29Å; L51-V53 PolarHBondContact O-N 2.93Å
52D98Very high97.2Very high97 Ų9787.4 Ų87.452%0.51944%0.444SS..THydrogen-bonded Turntrans-70.7-23.6179.8-69.2-14.8000113.3S48 W50 K56S48-D52 VanDerWaalsContact O-CB 3.24Å; S48-D52 WeakPolarHBondContact O-CB 3.36Å; S48-D52 PolarHBondContact O-N 2.91Å; W50-D52 PolarHBondContact O-N 3.3Å; D52-K56 WeakPolarHBondContact O-CD 3.39Å; D52-K56 WeakPolarHBondContact O-CE 3.38Å; D52-K56 PolarHBondContact O-NZ 2.9Å
53V97.8Very high97.5Very high44 Ų4488 Ų8827%0.26744%0.439SS..THydrogen-bonded Turntrans-109.9-17.7-179.4-56.70000113.3Y37 W50 L51 F55 K56 L57Y37-V53 HydrophobicContact CE1-CG2 3.63Å; Y37-V53 WeakPolarHBondContact OH-CG2 3.45Å; W50-V53 HydrophobicContact CE3-CG2 3.82Å; W50-V53 HydrophobicContact CZ3-CG2 4.15Å; W50-V53 WeakPolarHBondContact O-CG2 3.33Å; W50-V53 PolarHBondContact O-N 3.4Å; W50-V53 VanDerWaalsContact O-N 3.11Å; L51-V53 VanDerWaalsContact C-N 3.29Å; L51-V53 PolarHBondContact O-N 2.93Å; V53-F55 VanDerWaalsContact C-N 3.29Å; V53-F55 PolarHBondContact O-N 3Å; V53-F55 VanDerWaalsContact O-N 3.08Å; V53-K56 WeakPolarHBondContact O-CA 3.48Å; V53-K56 WeakPolarHBondContact O-CB 3.29Å; V53-K56 PolarHBondContact O-N 3.15Å; V53-L57 PolarHBondContact O-N 3.28Å
54K97.8Very high97.7Very high51 Ų5183.2 Ų83.222%0.22241%0.407CS..THydrogen-bonded Turntrans-43.4-49.6-172.6176.4171.8-174.9-177.70114W50 P62W50-K54 HydrophobicContact CD2-CB 4.16Å; W50-K54 HydrophobicContact CE3-CB 4.36Å; W50-K54 HydrophobicContact CH2-CB 4.05Å; W50-K54 HydrophobicContact CH2-CG 4Å; W50-K54 HydrophobicContact CZ2-CB 3.83Å; W50-K54 HydrophobicContact CZ2-CD 3.96Å; W50-K54 HydrophobicContact CZ2-CG 3.51Å; W50-K54 HydrophobicContact CZ3-CB 4.3Å; W50-K54 WeakPolarHBondContact O-CB 3.35Å; W50-K54 PolarHBondContact O-N 3.35Å; K54-P62 HydrophobicContact CD-CB 4.48Å; K54-P62 WeakPolarHBondContact CE-O 3.3Å; K54-P62 HydrophobicContact CG-CB 3.66Å; K54-P62 WeakPolarHBondContact O-CB 3.36Å
55F98.1Very high97.8Very high158 Ų15876.8 Ų76.869%0.69337%0.373SS*.THydrogen-bonded Turntrans-945.2-177-59.2-74.9000114.1V53 P62V53-F55 VanDerWaalsContact C-N 3.29Å; V53-F55 PolarHBondContact O-N 3Å; V53-F55 VanDerWaalsContact O-N 3.08Å; F55-P62 HydrophobicContact CD1-CB 4.27Å; F55-P62 HydrophobicContact CD1-CG 3.9Å; F55-P62 HydrophobicContact CE1-CB 4.31Å; F55-P62 HydrophobicContact CE1-CG 4.13Å
56K97.7Very high98Very high163 Ų16373.6 Ų73.671%0.70936%0.36SS*.THydrogen-bonded Turntrans-101.8-7.1179.5-59.2177.8-176.8156.60113D52 V53D52-K56 WeakPolarHBondContact O-CD 3.39Å; D52-K56 WeakPolarHBondContact O-CE 3.38Å; D52-K56 PolarHBondContact O-NZ 2.9Å; V53-K56 WeakPolarHBondContact O-CA 3.48Å; V53-K56 WeakPolarHBondContact O-CB 3.29Å; V53-K56 PolarHBondContact O-N 3.15Å
57L96.5Very high98Very high37 Ų3769.6 Ų69.619%0.19434%0.339CS..SBendtrans-86.9-5.3-179-63.8-178.3000113.7W50 V53 L59 Y66 M68W50-L57 HydrophobicContact CH2-CD1 4.23Å; W50-L57 HydrophobicContact CZ3-CD1 3.67Å; V53-L57 PolarHBondContact O-N 3.28Å; L57-L59 VanDerWaalsContact C-N 3.33Å; L57-L59 HydrophobicContact CB-CD1 4.01Å; L57-L59 HydrophobicContact CB-CG 3.97Å; L57-L59 HydrophobicContact CD1-CD1 4.17Å; L57-L59 PolarHBondContact O-N 3.09Å; L57-Y66 HydrophobicContact CD1-CD1 4.06Å; L57-Y66 HydrophobicContact CD1-CE1 3.46Å; L57-Y66 VanDerWaalsContact CD1-CE1 3.46Å; L57-Y66 HydrophobicContact CD1-CE2 4.33Å; L57-M68 HydrophobicContact CB-CE 3.64Å; L57-M68 HydrophobicContact CD1-CE 4.1Å; L57-M68 HydrophobicContact CD2-CE 3.8Å; L57-M68 HydrophobicContact CG-CE 4.03Å
58D96.3Very high98.1Very high121 Ų12165.4 Ų65.465%0.64733%0.326SS*.  trans5549.1179.6-177.553000111.7K73D58-K73 VanDerWaalsContact CB-NZ 3.35Å; D58-K73 WeakPolarHBondContact O-CD 3.4Å; D58-K73 IonicContact OD2-NZ 2.76Å; D58-K73 PolarHBondContact OD2-NZ 2.82Å
59L98.1Very high98Very high13 Ų1364.9 Ų64.97%0.06832%0.32CS..  trans-93.1138.1172.5-62165.9000108.4W50 L57 F61 P62 Y66 K73 T75W50-L59 HydrophobicContact CH2-CD1 4.34Å; L57-L59 VanDerWaalsContact C-N 3.33Å; L57-L59 HydrophobicContact CB-CD1 4.01Å; L57-L59 HydrophobicContact CB-CG 3.97Å; L57-L59 HydrophobicContact CD1-CD1 4.17Å; L57-L59 PolarHBondContact O-N 3.09Å; L59-F61 VanDerWaalsContact C-N 3.33Å; L59-F61 PolarHBondContact O-N 3.11Å; L59-P62 HydrophobicContact CB-CB 4.44Å; L59-P62 HydrophobicContact CB-CG 4.2Å; L59-P62 WeakPolarHBondContact O-CD 3.35Å; L59-P62 WeakPolarHBondContact O-CG 3.43Å; L59-Y66 HydrophobicContact CD1-CD1 4.11Å; L59-Y66 HydrophobicContact CD1-CG 4.14Å; L59-K73 HydrophobicContact CD2-CB 3.96Å; L59-T75 HydrophobicContact CB-CG2 4.19Å; L59-T75 HydrophobicContact CD1-CG2 3.96Å; L59-T75 HydrophobicContact CD2-CG2 3.98Å; L59-T75 HydrophobicContact CG-CG2 4.27Å
60D98.3Very high97.9Very high143 Ų14363.2 Ų63.277%0.76533%0.327SS*.SBendtrans-60.4-42.5178.3-63.9-54.6000112.2
61F98.5Very high97.7Very high155 Ų15571.5 Ų71.568%0.6836%0.363SS*.SBendtrans-126.679176.9-58.6-77.4000110.3L59 N63 T75L59-F61 VanDerWaalsContact C-N 3.33Å; L59-F61 PolarHBondContact O-N 3.11Å; F61-N63 PolarHBondContact O-N 2.66Å; F61-T75 WeakPolarHBondContact O-CG2 3.3Å; F61-T75 PolarHBondContact O-OG1 3.37Å
62P98.6Very high97.7Very high28 Ų2870.3 Ų70.318%0.18236%0.357CS..  trans-53.6111.1-170.8-28.636000113.7K54 F55 L59K54-P62 HydrophobicContact CD-CB 4.48Å; K54-P62 WeakPolarHBondContact CE-O 3.3Å; K54-P62 HydrophobicContact CG-CB 3.66Å; K54-P62 WeakPolarHBondContact O-CB 3.36Å; F55-P62 HydrophobicContact CD1-CB 4.27Å; F55-P62 HydrophobicContact CD1-CG 3.9Å; F55-P62 HydrophobicContact CE1-CB 4.31Å; F55-P62 HydrophobicContact CE1-CG 4.13Å; L59-P62 HydrophobicContact CB-CB 4.44Å; L59-P62 HydrophobicContact CB-CG 4.2Å; L59-P62 WeakPolarHBondContact O-CD 3.35Å; L59-P62 WeakPolarHBondContact O-CG 3.43Å
63N98.7Very high97.7Very high71 Ų7169.1 Ų69.138%0.3835%0.347SS..  trans-156170.2-176.3-1530.9000111.9F61F61-N63 PolarHBondContact O-N 2.66Å
64L98.8Very high97.7Very high12 Ų1268.4 Ų68.46%0.06334%0.342CS..SBendtrans-115.4135.3171-66.5173.6000109.6G10 Y11 W12 Y37 W50 Y66G10-L64 WeakPolarHBondContact O-CD2 3.49Å; Y11-L64 HydrophobicContact CD2-CB 3.81Å; Y11-L64 HydrophobicContact CE2-CB 4.08Å; W12-L64 HydrophobicContact CD2-CD1 3.9Å; W12-L64 VanDerWaalsContact CE2-CD1 3.48Å; W12-L64 HydrophobicContact CG-CD1 4.22Å; W12-L64 HydrophobicContact CH2-CD1 4.43Å; W12-L64 HydrophobicContact CZ2-CD1 3.79Å; Y37-L64 HydrophobicContact CD2-CD1 4.04Å; Y37-L64 HydrophobicContact CD2-CD2 3.92Å; Y37-L64 HydrophobicContact CE2-CD2 3.81Å; W50-L64 HydrophobicContact CB-CD1 4.36Å; W50-L64 HydrophobicContact CD2-CD1 3.74Å; W50-L64 HydrophobicContact CD2-CD2 4.19Å; W50-L64 HydrophobicContact CD2-CG 3.9Å; W50-L64 HydrophobicContact CE3-CD1 4.32Å; W50-L64 HydrophobicContact CE3-CD2 4.04Å; W50-L64 HydrophobicContact CE3-CG 4.27Å; W50-L64 HydrophobicContact CG-CD1 3.71Å; W50-L64 HydrophobicContact CG-CG 4.38Å; W50-L64 HydrophobicContact CH2-CD2 4.1Å; W50-L64 HydrophobicContact CH2-CG 4.26Å; W50-L64 HydrophobicContact CZ2-CD2 4.23Å; W50-L64 HydrophobicContact CZ2-CG 3.88Å; W50-L64 HydrophobicContact CZ3-CD2 4Å; W50-L64 HydrophobicContact CZ3-CG 4.44Å; L64-Y66 HydrophobicContact CD2-CD1 3.63Å; L64-Y66 HydrophobicContact CD2-CE1 3.75Å
65P98.8Very high97.8Very high3 Ų366.7 Ų66.72%0.01934%0.336CS..SBendcis-74.2155.5-1.630.5-33.2000113.4L9 G10 Y11 I21 I80L9-P65 HydrophobicContact CD1-CB 4.25Å; G10-P65 VanDerWaalsContact O-CA 3.22Å; G10-P65 WeakPolarHBondContact O-CA 3.45Å; Y11-P65 HydrophobicContact CD2-CB 3.61Å; Y11-P65 HydrophobicContact CD2-CG 4.23Å; Y11-P65 HydrophobicContact CE2-CB 4.24Å; Y11-P65 HydrophobicContact CE2-CG 4.37Å; Y11-P65 HydrophobicContact CG-CB 4.31Å; I21-P65 HydrophobicContact CD1-CB 4.1Å; I21-P65 HydrophobicContact CD1-CG 3.75Å; P65-I80 HydrophobicContact CB-CD1 4.11Å; P65-I80 HydrophobicContact CG-CD1 4.12Å
66Y98.9Very high97.8Very high6 Ų664.2 Ų64.22%0.02433%0.326CS..EExtended strand (participates in β ladder)trans-123.5154.5163.668.8-104.4000110.8V8 L9 G10 Y37 W50 L57 L59 L64 M68 I74V8-Y66 HydrophobicContact CG1-CE2 4.48Å; L9-Y66 WeakPolarHBondContact CD1-O 3.14Å; G10-Y66 VanDerWaalsContact CA-CZ 3.48Å; G10-Y66 PolarHBondContact N-O 2.8Å; G10-Y66 PolarHBondContact O-N 3.12Å; G10-Y66 VanDerWaalsContact O-N 3.08Å; Y37-Y66 AromaticContact CE2-CE1 3.86Å; Y37-Y66 HydrophobicContact CE2-CE1 3.86Å; Y37-Y66 PolarHBondContact OH-OH 2.85Å; W50-Y66 HydrophobicContact CH2-CD1 4.14Å; W50-Y66 HydrophobicContact CH2-CE1 4.26Å; W50-Y66 HydrophobicContact CZ3-CD1 4.12Å; W50-Y66 AromaticContact CZ3-CE1 3.77Å; W50-Y66 HydrophobicContact CZ3-CE1 3.77Å; L57-Y66 HydrophobicContact CD1-CD1 4.06Å; L57-Y66 HydrophobicContact CD1-CE1 3.46Å; L57-Y66 VanDerWaalsContact CD1-CE1 3.46Å; L57-Y66 HydrophobicContact CD1-CE2 4.33Å; L59-Y66 HydrophobicContact CD1-CD1 4.11Å; L59-Y66 HydrophobicContact CD1-CG 4.14Å; L64-Y66 HydrophobicContact CD2-CD1 3.63Å; L64-Y66 HydrophobicContact CD2-CE1 3.75Å; Y66-M68 HydrophobicContact CD2-CE 4.29Å; Y66-M68 HydrophobicContact CD2-CG 4.05Å; Y66-M68 HydrophobicContact CE2-CE 4.05Å; Y66-M68 HydrophobicContact CE2-CG 4.14Å; Y66-I74 CarbonylContact C-O 3.54Å; Y66-I74 WeakPolarHBondContact CA-O 3.28Å
67L98.8Very high97.9Very high0 Ų056.9 Ų56.90%030%0.296CS..EExtended strand (participates in β ladder)trans-125.7129.8169.9-171.878.6000109M7 V8 L9 I74 I80 Y83 I84M7-L67 HydrophobicContact CB-CD1 4.15Å; M7-L67 HydrophobicContact SD-CD1 4.33Å; M7-L67 HydrophobicContact SD-CD2 3.98Å; V8-L67 CarbonylContact O-C 3.49Å; V8-L67 WeakPolarHBondContact O-CA 3.43Å; L9-L67 HydrophobicContact CB-CD1 4.27Å; L67-I74 PolarHBondContact N-O 3.38Å; L67-I74 PolarHBondContact O-N 2.87Å; L67-I80 HydrophobicContact CB-CD1 4.13Å; L67-I80 HydrophobicContact CB-CG1 3.96Å; L67-I80 HydrophobicContact CB-CG2 3.86Å; L67-I80 HydrophobicContact CD2-CG2 4.03Å; L67-I80 HydrophobicContact CG-CG2 4.38Å; L67-Y83 HydrophobicContact CD2-CD1 3.77Å; L67-Y83 HydrophobicContact CD2-CE1 4Å; L67-I84 HydrophobicContact CD2-CD1 4.37Å; L67-I84 HydrophobicContact CD2-CG1 4.21Å
68M98.3Very high98Very high44 Ų4456.5 Ų56.522%0.21729%0.294CS..EExtended strand (participates in β ladder)trans-107.5129.9168.1-57.9-168.4175.500109.9M7 V8 L57 Y66M7-M68 CarbonylContact C-O 3.57Å; M7-M68 VanDerWaalsContact CA-O 3.31Å; M7-M68 WeakPolarHBondContact CA-O 3.12Å; V8-M68 HydrophobicContact CB-CB 4.25Å; V8-M68 PolarHBondContact N-O 2.92Å; V8-M68 PolarHBondContact O-N 3.01Å; L57-M68 HydrophobicContact CB-CE 3.64Å; L57-M68 HydrophobicContact CD1-CE 4.1Å; L57-M68 HydrophobicContact CD2-CE 3.8Å; L57-M68 HydrophobicContact CG-CE 4.03Å; Y66-M68 HydrophobicContact CD2-CE 4.29Å; Y66-M68 HydrophobicContact CD2-CG 4.05Å; Y66-M68 HydrophobicContact CE2-CE 4.05Å; Y66-M68 HydrophobicContact CE2-CG 4.14Å
69D97.3Very high98.1Very high26 Ų2652.7 Ų52.714%0.13928%0.279CS..EExtended strand (participates in β ladder)trans-144.593.3176.3178.813.3000109.3M7 K71 N72 Y83 K87M7-D69 WeakPolarHBondContact CE-OD2 3.33Å; M7-D69 HydrophobicContact CG-CB 4.01Å; D69-K71 PolarHBondContact O-N 3.47Å; D69-K71 VanDerWaalsContact O-N 3.12Å; D69-N72 PolarHBondContact N-O 3.34Å; D69-N72 WeakPolarHBondContact O-CB 3.5Å; D69-N72 PolarHBondContact O-N 2.7Å; D69-Y83 HydrophobicContact CB-CE1 4.15Å; D69-Y83 WeakPolarHBondContact OD2-CE1 3.43Å; D69-Y83 PolarHBondContact OD2-OH 2.77Å; D69-K87 WeakPolarHBondContact OD2-CE 3.5Å; D69-K87 IonicContact OD2-NZ 3.99Å; D69-K87 PolarHBondContact OD2-NZ 2.99Å
70G94.4Very high98.2Very high55 Ų5552 Ų5257%0.56728%0.275SS*.THydrogen-bonded Turntrans56.1-115-171.500000111.7
71K94.8Very high98.2Very high187 Ų18745.2 Ų45.281%0.81324%0.239SC*.THydrogen-bonded Turntrans-80.4-15.5177.670-179.7-177.2178.10114D69D69-K71 PolarHBondContact O-N 3.47Å; D69-K71 VanDerWaalsContact O-N 3.12Å
72N97.3Very high98.2Very high63 Ų6340.5 Ų40.534%0.33722%0.216SC..EExtended strand (participates in β ladder)trans-85.3120.7-176.5-57.9-48.6000108.9D69 I74 Y83D69-N72 PolarHBondContact N-O 3.34Å; D69-N72 WeakPolarHBondContact O-CB 3.5Å; D69-N72 PolarHBondContact O-N 2.7Å; N72-I74 HydrophobicContact CB-CD1 4.41Å; N72-I74 HydrophobicContact CB-CG1 4.49Å; N72-Y83 HydrophobicContact CB-CE2 4.41Å; N72-Y83 PolarHBondContact ND2-OH 2.84Å
73K98.1Very high98.2Very high72 Ų7240.5 Ų40.531%0.31321%0.213SC..EExtended strand (participates in β ladder)trans-124.2107.6179.7-57178.8-174.6-1790108.1D58 L59D58-K73 VanDerWaalsContact CB-NZ 3.35Å; D58-K73 WeakPolarHBondContact O-CD 3.4Å; D58-K73 IonicContact OD2-NZ 2.76Å; D58-K73 PolarHBondContact OD2-NZ 2.82Å; L59-K73 HydrophobicContact CD2-CB 3.96Å
74I98.8Very high98.2Very high28 Ų2837.1 Ų37.114%0.14420%0.195CC..EExtended strand (participates in β ladder)trans-121.6130.8-163.9-50.4170.3000108.9Y66 L67 N72 A79 I80 Y83Y66-I74 CarbonylContact C-O 3.54Å; Y66-I74 WeakPolarHBondContact CA-O 3.28Å; L67-I74 PolarHBondContact N-O 3.38Å; L67-I74 PolarHBondContact O-N 2.87Å; N72-I74 HydrophobicContact CB-CD1 4.41Å; N72-I74 HydrophobicContact CB-CG1 4.49Å; I74-A79 HydrophobicContact CG2-CB 4.08Å; I74-I80 HydrophobicContact CB-CG1 4.12Å; I74-I80 HydrophobicContact CG2-CG1 3.73Å; I74-Y83 HydrophobicContact CD1-CD1 3.54Å; I74-Y83 HydrophobicContact CD1-CD2 3.5Å; I74-Y83 HydrophobicContact CD1-CE1 3.98Å; I74-Y83 HydrophobicContact CD1-CE2 3.94Å; I74-Y83 HydrophobicContact CD1-CG 3.27Å
75T98.8Very high98.2Very high16 Ų1636.5 Ų36.510%0.09819%0.192CC..EExtended strand (participates in β ladder)trans-114.3170.9167.653.60000109.8L59 F61L59-T75 HydrophobicContact CB-CG2 4.19Å; L59-T75 HydrophobicContact CD1-CG2 3.96Å; L59-T75 HydrophobicContact CD2-CG2 3.98Å; L59-T75 HydrophobicContact CG-CG2 4.27Å; F61-T75 WeakPolarHBondContact O-CG2 3.3Å; F61-T75 PolarHBondContact O-OG1 3.37Å
76Q98.8Very high98.2Very high106 Ų10643.4 Ų43.450%0.49522%0.217SC..SBendtrans77120.8-172.2-53.4-67.9-14.200112.6N78 A79 I80Q76-N78 VanDerWaalsContact C-N 3.32Å; Q76-N78 PolarHBondContact O-N 2.9Å; Q76-A79 HydrophobicContact CB-CB 4.07Å; Q76-A79 PolarHBondContact O-N 2.87Å; Q76-A79 VanDerWaalsContact O-N 3.15Å; Q76-I80 WeakPolarHBondContact O-CG1 3.41Å; Q76-I80 PolarHBondContact O-N 3.44Å
77S98.8Very high98.1Very high9 Ų947.9 Ų47.96%0.06324%0.237CC..Hα-helixtrans-57.1-43.4-174.151.70000112.9I80 L81S77-I80 PolarHBondContact O-N 3.22Å; S77-L81 WeakPolarHBondContact O-CG 3.24Å; S77-L81 PolarHBondContact O-N 3.03Å
78N98.8Very high98.1Very high29 Ų2951.3 Ų51.316%0.15525%0.253CS..Hα-helixtrans-68.2-38.3-179.7-70.98.6000112.1Q76 L81 R82 E105 M109Q76-N78 VanDerWaalsContact C-N 3.32Å; Q76-N78 PolarHBondContact O-N 2.9Å; N78-L81 PolarHBondContact O-N 2.82Å; N78-R82 WeakPolarHBondContact O-CB 3.44Å; N78-R82 WeakPolarHBondContact O-CG 3.36Å; N78-R82 PolarHBondContact O-N 3.22Å; N78-E105 HydrophobicContact CB-CG 4.38Å; N78-E105 WeakPolarHBondContact CB-OE1 3.33Å; N78-E105 VanDerWaalsContact ND2-CG 3.32Å; N78-E105 WeakPolarHBondContact ND2-CG 3.47Å; N78-M109 VanDerWaalsContact ND2-CG 3.35Å; N78-M109 WeakPolarHBondContact ND2-CG 3.49Å
79A98.9Very high98.1Very high40 Ų4055.6 Ų55.633%0.33128%0.277SS..Hα-helixtrans-65.6-40.2175.600000111.6I74 Q76 Y83I74-A79 HydrophobicContact CG2-CB 4.08Å; Q76-A79 HydrophobicContact CB-CB 4.07Å; Q76-A79 PolarHBondContact O-N 2.87Å; Q76-A79 VanDerWaalsContact O-N 3.15Å; A79-Y83 WeakPolarHBondContact O-CB 3.32Å; A79-Y83 PolarHBondContact O-N 3.36Å
80I98.9Very high98.1Very high0 Ų054.9 Ų54.90%027%0.273CS..Hα-helixtrans-62.3-48.8174.5-66.8167.2000110.6I21 P65 L67 I74 Q76 S77 R82 Y83 I84I21-I80 HydrophobicContact CD1-CB 4.08Å; I21-I80 HydrophobicContact CD1-CD1 4.18Å; I21-I80 HydrophobicContact CD1-CG2 3.82Å; I21-I80 HydrophobicContact CG1-CG2 4.06Å; I21-I80 HydrophobicContact CG2-CG2 3.79Å; P65-I80 HydrophobicContact CB-CD1 4.11Å; P65-I80 HydrophobicContact CG-CD1 4.12Å; L67-I80 HydrophobicContact CB-CD1 4.13Å; L67-I80 HydrophobicContact CB-CG1 3.96Å; L67-I80 HydrophobicContact CB-CG2 3.86Å; L67-I80 HydrophobicContact CD2-CG2 4.03Å; L67-I80 HydrophobicContact CG-CG2 4.38Å; I74-I80 HydrophobicContact CB-CG1 4.12Å; I74-I80 HydrophobicContact CG2-CG1 3.73Å; Q76-I80 WeakPolarHBondContact O-CG1 3.41Å; Q76-I80 PolarHBondContact O-N 3.44Å; S77-I80 PolarHBondContact O-N 3.22Å; I80-R82 PolarHBondContact O-N 3.09Å; I80-Y83 WeakPolarHBondContact O-CB 3.26Å; I80-Y83 PolarHBondContact O-N 3.07Å; I80-I84 HydrophobicContact CG2-CD1 3.97Å; I80-I84 WeakPolarHBondContact O-CG1 3.42Å; I80-I84 PolarHBondContact O-N 2.8Å
81L98.9Very high98.3Very high0 Ų053.5 Ų53.50%025%0.254CS..Hα-helixtrans-59-48.7177.2-75.2166000111.8A20 I21 L24 S77 N78 Y83 I84 A85 F159 L163A20-L81 HydrophobicContact CB-CD1 4.18Å; A20-L81 HydrophobicContact CB-CD2 4.24Å; I21-L81 HydrophobicContact CB-CD2 4.44Å; I21-L81 HydrophobicContact CG1-CD2 3.9Å; I21-L81 HydrophobicContact CG1-CG 3.84Å; L24-L81 HydrophobicContact CB-CD2 4.13Å; L24-L81 HydrophobicContact CD2-CD2 3.68Å; S77-L81 WeakPolarHBondContact O-CG 3.24Å; S77-L81 PolarHBondContact O-N 3.03Å; N78-L81 PolarHBondContact O-N 2.82Å; L81-Y83 VanDerWaalsContact C-N 3.27Å; L81-Y83 PolarHBondContact O-N 3.08Å; L81-I84 PolarHBondContact O-N 2.75Å; L81-A85 WeakPolarHBondContact O-CB 3.22Å; L81-A85 PolarHBondContact O-N 2.99Å; L81-F159 HydrophobicContact CB-CD2 3.71Å; L81-F159 HydrophobicContact CB-CE2 4.31Å; L81-F159 HydrophobicContact CB-CG 4.41Å; L81-F159 HydrophobicContact CD1-CD2 4.42Å; L81-L163 HydrophobicContact CD1-CD1 3.85Å; L81-L163 HydrophobicContact CD1-CD2 3.38Å; L81-L163 HydrophobicContact CD1-CG 3.52Å
82R98.8Very high98.4Very high55 Ų5545.3 Ų45.321%0.20822%0.222CC..Hα-helixtrans-61-35.8176.6-74.4-177.3177.4-99.24.9112.3N78 I80 R86 D102 E105 F159N78-R82 WeakPolarHBondContact O-CB 3.44Å; N78-R82 WeakPolarHBondContact O-CG 3.36Å; N78-R82 PolarHBondContact O-N 3.22Å; I80-R82 PolarHBondContact O-N 3.09Å; R82-R86 WeakPolarHBondContact O-CB 3.45Å; R82-R86 WeakPolarHBondContact O-CG 3.22Å; R82-R86 PolarHBondContact O-N 2.82Å; R82-D102 IonicContact CZ-OD1 2.7Å; R82-D102 IonicContact NH1-OD1 2.65Å; R82-D102 PolarHBondContact NH1-OD1 3.38Å; R82-D102 IonicContact NH2-OD1 3.2Å; R82-D102 PolarHBondContact NH2-OD1 3.07Å; R82-E105 IonicContact CZ-OE1 2.84Å; R82-E105 IonicContact CZ-OE2 3.18Å; R82-E105 VanDerWaalsContact CZ-OE2 3.3Å; R82-E105 VanDerWaalsContact NE-CD 3.3Å; R82-E105 IonicContact NE-OE1 2.66Å; R82-E105 PolarHBondContact NE-OE1 3.36Å; R82-E105 IonicContact NE-OE2 3.64Å; R82-E105 PolarHBondContact NE-OE2 3.36Å; R82-E105 VanDerWaalsContact NE-OE2 3.11Å; R82-E105 VanDerWaalsContact NH2-CD 3.29Å; R82-E105 IonicContact NH2-OE1 3.25Å; R82-E105 IonicContact NH2-OE2 3.21Å; R82-E105 PolarHBondContact NH2-OE2 2.9Å; R82-F159 HydrophobicContact CG-CE1 3.78Å; R82-F159 HydrophobicContact CG-CE2 3.89Å; R82-F159 HydrophobicContact CG-CZ 3.42Å; R82-F159 VanDerWaalsContact CG-CZ 3.42Å
83Y98.8Very high98.4Very high28 Ų2847.4 Ų47.411%0.1123%0.23CC..Hα-helixtrans-62.6-50.8176.1172.8-102.5000112M7 L67 D69 N72 I74 A79 I80 L81 R86 K87M7-Y83 HydrophobicContact CE-CE1 4.35Å; L67-Y83 HydrophobicContact CD2-CD1 3.77Å; L67-Y83 HydrophobicContact CD2-CE1 4Å; D69-Y83 HydrophobicContact CB-CE1 4.15Å; D69-Y83 WeakPolarHBondContact OD2-CE1 3.43Å; D69-Y83 PolarHBondContact OD2-OH 2.77Å; N72-Y83 HydrophobicContact CB-CE2 4.41Å; N72-Y83 PolarHBondContact ND2-OH 2.84Å; I74-Y83 HydrophobicContact CD1-CD1 3.54Å; I74-Y83 HydrophobicContact CD1-CD2 3.5Å; I74-Y83 HydrophobicContact CD1-CE1 3.98Å; I74-Y83 HydrophobicContact CD1-CE2 3.94Å; I74-Y83 HydrophobicContact CD1-CG 3.27Å; A79-Y83 WeakPolarHBondContact O-CB 3.32Å; A79-Y83 PolarHBondContact O-N 3.36Å; I80-Y83 WeakPolarHBondContact O-CB 3.26Å; I80-Y83 PolarHBondContact O-N 3.07Å; L81-Y83 VanDerWaalsContact C-N 3.27Å; L81-Y83 PolarHBondContact O-N 3.08Å; Y83-R86 PolarHBondContact O-N 2.78Å; Y83-K87 HydrophobicContact CE1-CD 4.48Å; Y83-K87 VanDerWaalsContact CZ-CE 3.42Å; Y83-K87 WeakPolarHBondContact OH-CE 3.47Å; Y83-K87 PolarHBondContact OH-NZ 2.96Å
84I98.6Very high98.4Very high0 Ų047 Ų470%023%0.234CC..Hα-helixtrans-61.7-49.4176.8-60.9160.5000108.9I21 L24 L25 T28 L67 I80 L81 R86 K87 H88I21-I84 HydrophobicContact CG2-CD1 3.97Å; L24-I84 HydrophobicContact CD2-CB 3.84Å; L24-I84 HydrophobicContact CD2-CG2 3.77Å; L24-I84 HydrophobicContact CG-CB 4.43Å; L24-I84 HydrophobicContact CG-CG2 3.83Å; L25-I84 HydrophobicContact CD2-CD1 3.7Å; L25-I84 HydrophobicContact CD2-CG1 4.23Å; L25-I84 HydrophobicContact CG-CD1 3.94Å; T28-I84 HydrophobicContact CG2-CG2 4.41Å; L67-I84 HydrophobicContact CD2-CD1 4.37Å; L67-I84 HydrophobicContact CD2-CG1 4.21Å; I80-I84 HydrophobicContact CG2-CD1 3.97Å; I80-I84 WeakPolarHBondContact O-CG1 3.42Å; I80-I84 PolarHBondContact O-N 2.8Å; L81-I84 PolarHBondContact O-N 2.75Å; I84-R86 VanDerWaalsContact C-N 3.31Å; I84-R86 PolarHBondContact O-N 3.24Å; I84-K87 WeakPolarHBondContact O-CB 3.46Å; I84-K87 PolarHBondContact O-N 2.66Å; I84-H88 PolarHBondContact O-CD2 2.9Å
85A98.7Very high98.4Very high0 Ų051.1 Ų51.10%025%0.253CS..Hα-helixtrans-55.5-40.6-179.300000113.8L81 K87 H88 N89 M90 C91 F159L81-A85 WeakPolarHBondContact O-CB 3.22Å; L81-A85 PolarHBondContact O-N 2.99Å; A85-K87 VanDerWaalsContact C-N 3.27Å; A85-K87 PolarHBondContact O-N 2.76Å; A85-H88 CarbonylContact O-C 3.55Å; A85-H88 PolarHBondContact O-N 3.26Å; A85-N89 PolarHBondContact O-N 3.04Å; A85-M90 HydrophobicContact CB-CB 3.96Å; A85-M90 PolarHBondContact O-N 3.08Å; A85-C91 VanDerWaalsContact CB-SG 3.55Å; A85-F159 HydrophobicContact CB-CB 3.73Å; A85-F159 HydrophobicContact CB-CD1 3.8Å; A85-F159 HydrophobicContact CB-CG 4.01Å
86R98.7Very high98.4Very high147 Ų14756.4 Ų56.456%0.55528%0.276SS*.Hα-helixtrans-63.2-30.7176.4-79.6-171.4-61.3-900.8113.1R82 Y83 I84 H88R82-R86 WeakPolarHBondContact O-CB 3.45Å; R82-R86 WeakPolarHBondContact O-CG 3.22Å; R82-R86 PolarHBondContact O-N 2.82Å; Y83-R86 PolarHBondContact O-N 2.78Å; I84-R86 VanDerWaalsContact C-N 3.31Å; I84-R86 PolarHBondContact O-N 3.24Å; R86-H88 PolarHBondContact O-N 2.99Å
87K97.7Very high98.4Very high100 Ų10052.9 Ų52.944%0.43526%0.26SS..Hα-helixtrans-69.4-17.4175.1-66.1-171170.2-1580113.2M7 D69 Y83 I84 A85M7-K87 HydrophobicContact CE-CD 4.18Å; D69-K87 WeakPolarHBondContact OD2-CE 3.5Å; D69-K87 IonicContact OD2-NZ 3.99Å; D69-K87 PolarHBondContact OD2-NZ 2.99Å; Y83-K87 HydrophobicContact CE1-CD 4.48Å; Y83-K87 VanDerWaalsContact CZ-CE 3.42Å; Y83-K87 WeakPolarHBondContact OH-CE 3.47Å; Y83-K87 PolarHBondContact OH-NZ 2.96Å; I84-K87 WeakPolarHBondContact O-CB 3.46Å; I84-K87 PolarHBondContact O-N 2.66Å; A85-K87 VanDerWaalsContact C-N 3.27Å; A85-K87 PolarHBondContact O-N 2.76Å
88H97.8Very high98.4Very high72 Ų7256.5 Ų56.533%0.33327%0.274SS..THydrogen-bonded Turntrans-12514-174.2-57.4-79000113.4T28 I84 A85 R86 M90T28-H88 HydrophobicContact CG2-CB 4.15Å; T28-H88 VanDerWaalsContact CG2-CD2 3.44Å; T28-H88 WeakPolarHBondContact CG2-CD2 3.43Å; I84-H88 PolarHBondContact O-CD2 2.9Å; A85-H88 CarbonylContact O-C 3.55Å; A85-H88 PolarHBondContact O-N 3.26Å; R86-H88 PolarHBondContact O-N 2.99Å; H88-M90 VanDerWaalsContact C-N 3.34Å; H88-M90 HydrophobicContact CB-CG 4.05Å; H88-M90 HydrophobicContact CB-SD 4.03Å; H88-M90 WeakPolarHBondContact O-CG 3.34Å; H88-M90 PolarHBondContact O-N 3.25Å
89N97.6Very high98.4Very high134 Ų13459 Ų5972%0.71729%0.287SS*.THydrogen-bonded Turntrans57.338.4-178.6-57.1-48.2000114.6A85A85-N89 PolarHBondContact O-N 3.04Å
90M98.6Very high98.4Very high12 Ų1259.2 Ų59.26%0.05928%0.279CS..  trans-105.828.9-174.9-60.9-179.771.800113.8L24 F27 T28 A85 H88 L157 T158 F159 F162L24-M90 HydrophobicContact CD1-CE 3.88Å; L24-M90 HydrophobicContact CD1-SD 3.93Å; F27-M90 HydrophobicContact CD1-CE 3.87Å; F27-M90 HydrophobicContact CD1-SD 4.23Å; F27-M90 HydrophobicContact CE1-CE 3.65Å; F27-M90 HydrophobicContact CE1-SD 4.11Å; T28-M90 HydrophobicContact CG2-SD 3.98Å; A85-M90 HydrophobicContact CB-CB 3.96Å; A85-M90 PolarHBondContact O-N 3.08Å; H88-M90 VanDerWaalsContact C-N 3.34Å; H88-M90 HydrophobicContact CB-CG 4.05Å; H88-M90 HydrophobicContact CB-SD 4.03Å; H88-M90 WeakPolarHBondContact O-CG 3.34Å; H88-M90 PolarHBondContact O-N 3.25Å; M90-L157 HydrophobicContact CE-CD2 4.07Å; M90-L157 HydrophobicContact CE-CG 4.13Å; M90-T158 WeakPolarHBondContact O-CA 3.4Å; M90-T158 VanDerWaalsContact O-CB 3.29Å; M90-T158 WeakPolarHBondContact O-CB 3.5Å; M90-F159 WeakPolarHBondContact O-CD1 3.37Å; M90-F159 PolarHBondContact O-N 3.35Å; M90-F159 VanDerWaalsContact O-N 3.09Å; M90-F162 HydrophobicContact CE-CE2 3.61Å; M90-F162 HydrophobicContact CE-CZ 4.05Å
91C98.2Very high98.4Very high26 Ų2659.2 Ų59.218%0.17628%0.279CS..SBendtrans-108.48.6-176.9-67.40000114.8A85A85-C91 VanDerWaalsContact CB-SG 3.55Å
92G97.4Very high98.4Very high14 Ų1462.5 Ų62.514%0.14430%0.297CS..  trans83.6139.2-166.400000111.7
93E97.3Very high98.4Very high108 Ų10863.8 Ų63.851%0.50531%0.307SS..SBendtrans-99.8-45.1-175.9-64.9176.1-174.700110.8E97 K156E93-E97 WeakPolarHBondContact CB-OE2 3.38Å; E93-E97 PolarHBondContact N-OE2 2.94Å; E93-K156 IonicContact OE1-NZ 3.21Å; E93-K156 PolarHBondContact OE1-NZ 3.35Å; E93-K156 IonicContact OE2-NZ 2.61Å; E93-K156 PolarHBondContact OE2-NZ 3.42Å
94T98.3Very high98.4Very high62 Ų6262.6 Ų62.638%0.3830%0.302SS..SBendtrans-88.6166.2178860000112.1E96 E97 K98T94-E96 VanDerWaalsContact C-N 3.29Å; T94-E96 VanDerWaalsContact CB-OE2 3.26Å; T94-E96 WeakPolarHBondContact CB-OE2 3.35Å; T94-E96 PolarHBondContact O-N 3.49Å; T94-E96 PolarHBondContact OG1-N 2.86Å; T94-E96 PolarHBondContact OG1-OE2 3.13Å; T94-E97 PolarHBondContact N-OE2 3.28Å; T94-E97 PolarHBondContact O-N 3.26Å; T94-E97 PolarHBondContact OG1-N 3.43Å; T94-K98 VanDerWaalsContact O-CG 3.28Å; T94-K98 WeakPolarHBondContact O-CG 3.4Å; T94-K98 PolarHBondContact O-N 3Å
95E98.5Very high98.4Very high116 Ų11663.3 Ų63.354%0.54231%0.305SS..Hα-helixtrans-63.2-39175.7-173.659.7-164.700111.4E97 K98 I99E95-E97 PolarHBondContact O-N 3.06Å; E95-K98 PolarHBondContact O-N 3.38Å; E95-I99 HydrophobicContact CG-CD1 4.1Å; E95-I99 VanDerWaalsContact O-CG1 3.29Å; E95-I99 WeakPolarHBondContact O-CG1 3.35Å; E95-I99 PolarHBondContact O-N 3.18Å
96E98.4Very high98.4Very high126 Ų12667.7 Ų67.759%0.58933%0.329SS*.Hα-helixtrans-63.6-41.4177.6-58.974.7-163.400111.7T94 R100T94-E96 VanDerWaalsContact C-N 3.29Å; T94-E96 VanDerWaalsContact CB-OE2 3.26Å; T94-E96 WeakPolarHBondContact CB-OE2 3.35Å; T94-E96 PolarHBondContact O-N 3.49Å; T94-E96 PolarHBondContact OG1-N 2.86Å; T94-E96 PolarHBondContact OG1-OE2 3.13Å; E96-R100 VanDerWaalsContact O-CG 3.3Å; E96-R100 WeakPolarHBondContact O-CG 3.33Å; E96-R100 PolarHBondContact O-N 3.49Å; E96-R100 VanDerWaalsContact O-N 3.09Å
97E98.6Very high98.4Very high33 Ų3363.8 Ų63.815%0.15432%0.317CS..Hα-helixtrans-66.1-41175.8-67.4-179.5153.200111.4E93 T94 E95 R100 V101E93-E97 WeakPolarHBondContact CB-OE2 3.38Å; E93-E97 PolarHBondContact N-OE2 2.94Å; T94-E97 PolarHBondContact N-OE2 3.28Å; T94-E97 PolarHBondContact O-N 3.26Å; T94-E97 PolarHBondContact OG1-N 3.43Å; E95-E97 PolarHBondContact O-N 3.06Å; E97-R100 PolarHBondContact O-N 3.2Å; E97-V101 WeakPolarHBondContact O-CB 3.32Å; E97-V101 VanDerWaalsContact O-CG2 3.3Å; E97-V101 WeakPolarHBondContact O-CG2 3.46Å; E97-V101 PolarHBondContact O-N 3.16Å
98K98.8Very high98.4Very high84 Ų8459 Ų5937%0.36530%0.297SS..Hα-helixtrans-63.4-44176.5-70.4167-166.5162.30111.9T94 E95 R100 V101 D102T94-K98 VanDerWaalsContact O-CG 3.28Å; T94-K98 WeakPolarHBondContact O-CG 3.4Å; T94-K98 PolarHBondContact O-N 3Å; E95-K98 PolarHBondContact O-N 3.38Å; K98-R100 VanDerWaalsContact C-N 3.27Å; K98-R100 PolarHBondContact O-N 3.41Å; K98-V101 WeakPolarHBondContact O-CB 3.49Å; K98-V101 PolarHBondContact O-N 2.7Å; K98-D102 WeakPolarHBondContact O-CB 3.47Å; K98-D102 VanDerWaalsContact O-CG 3.29Å; K98-D102 PolarHBondContact O-N 3.31Å
99I98.8Very high98.4Very high82 Ų8257.7 Ų57.742%0.42129%0.291SS..Hα-helixtrans-56.6-45.1173.9-71.5165.3000110.1E95 D102 I103E95-I99 HydrophobicContact CG-CD1 4.1Å; E95-I99 VanDerWaalsContact O-CG1 3.29Å; E95-I99 WeakPolarHBondContact O-CG1 3.35Å; E95-I99 PolarHBondContact O-N 3.18Å; I99-D102 PolarHBondContact O-N 3.09Å; I99-I103 HydrophobicContact CG2-CD1 3.73Å; I99-I103 HydrophobicContact CG2-CG1 4.49Å; I99-I103 VanDerWaalsContact O-CG1 3.28Å; I99-I103 WeakPolarHBondContact O-CG1 3.42Å; I99-I103 PolarHBondContact O-N 3.1Å
100R98.8Very high98.4Very high44 Ų4456 Ų5617%0.16628%0.282CS..Hα-helixtrans-66-41.5179.3-69.5176.46779.22.2112.5E96 E97 K98 I104 F145 F152 A153E96-R100 VanDerWaalsContact O-CG 3.3Å; E96-R100 WeakPolarHBondContact O-CG 3.33Å; E96-R100 PolarHBondContact O-N 3.49Å; E96-R100 VanDerWaalsContact O-N 3.09Å; E97-R100 PolarHBondContact O-N 3.2Å; K98-R100 VanDerWaalsContact C-N 3.27Å; K98-R100 PolarHBondContact O-N 3.41Å; R100-I104 WeakPolarHBondContact O-CB 3.45Å; R100-I104 PolarHBondContact O-N 3.38Å; R100-F145 HydrophobicContact CB-CE1 4.25Å; R100-F145 HydrophobicContact CB-CZ 3.91Å; R100-F145 HydrophobicContact CG-CE1 4.39Å; R100-F145 HydrophobicContact CG-CZ 3.88Å; R100-F145 VanDerWaalsContact CZ-CE1 3.49Å; R100-F145 PolarHBondContact NH1-O 3.39Å; R100-F145 VanDerWaalsContact NH2-CE1 3.34Å; R100-F145 PolarHBondContact NH2-O 3.15Å; R100-F152 PolarHBondContact NE-O 3.39Å; R100-F152 PolarHBondContact NH2-O 3.41Å; R100-A153 WeakPolarHBondContact CD-O 3.38Å; R100-A153 PolarHBondContact NE-O 3.49Å
101V98.9Very high98.4Very high0 Ų055.4 Ų55.40%028%0.279CS..Hα-helixtrans-56.9-50.9173.2162.90000110.4E97 K98 I103 I104 E105 A153 T158 F159 V160E97-V101 WeakPolarHBondContact O-CB 3.32Å; E97-V101 VanDerWaalsContact O-CG2 3.3Å; E97-V101 WeakPolarHBondContact O-CG2 3.46Å; E97-V101 PolarHBondContact O-N 3.16Å; K98-V101 WeakPolarHBondContact O-CB 3.49Å; K98-V101 PolarHBondContact O-N 2.7Å; V101-I103 PolarHBondContact O-N 3.36Å; V101-I104 PolarHBondContact O-N 2.9Å; V101-E105 WeakPolarHBondContact O-CB 3.33Å; V101-E105 PolarHBondContact O-N 2.79Å; V101-A153 HydrophobicContact CG2-CB 3.76Å; V101-T158 HydrophobicContact CG2-CG2 4.34Å; V101-F159 HydrophobicContact CG1-CD1 4.48Å; V101-F159 HydrophobicContact CG1-CE1 3.47Å; V101-F159 VanDerWaalsContact CG1-CE1 3.47Å; V101-F159 HydrophobicContact CG1-CZ 3.77Å; V101-V160 HydrophobicContact CB-CG1 4.36Å; V101-V160 HydrophobicContact CG1-CG1 3.86Å; V101-V160 HydrophobicContact CG2-CG2 4.06Å; V101-V160 WeakPolarHBondContact O-CG1 3.31Å
102D98.9Very high98.4Very high69 Ų6954.6 Ų54.637%0.36927%0.272SS..Hα-helixtrans-65.6-41.3-176.4-68.3-14.9000111.7R82 K98 I99 N106R82-D102 IonicContact CZ-OD1 2.7Å; R82-D102 IonicContact NH1-OD1 2.65Å; R82-D102 PolarHBondContact NH1-OD1 3.38Å; R82-D102 IonicContact NH2-OD1 3.2Å; R82-D102 PolarHBondContact NH2-OD1 3.07Å; K98-D102 WeakPolarHBondContact O-CB 3.47Å; K98-D102 VanDerWaalsContact O-CG 3.29Å; K98-D102 PolarHBondContact O-N 3.31Å; I99-D102 PolarHBondContact O-N 3.09Å; D102-N106 PolarHBondContact O-N 2.99Å; D102-N106 PolarHBondContact O-ND2 3.07Å
103I98.8Very high98.4Very high83 Ų8356.5 Ų56.543%0.42628%0.281SS..Hα-helixtrans-61.8-50.7175.6-69.8168000110.8I99 V101 N106 Q107 F145I99-I103 HydrophobicContact CG2-CD1 3.73Å; I99-I103 HydrophobicContact CG2-CG1 4.49Å; I99-I103 VanDerWaalsContact O-CG1 3.28Å; I99-I103 WeakPolarHBondContact O-CG1 3.42Å; I99-I103 PolarHBondContact O-N 3.1Å; V101-I103 PolarHBondContact O-N 3.36Å; I103-N106 PolarHBondContact O-N 3.01Å; I103-Q107 WeakPolarHBondContact O-CB 3.33Å; I103-Q107 PolarHBondContact O-N 2.63Å; I103-F145 HydrophobicContact CB-CE2 4.4Å; I103-F145 HydrophobicContact CB-CZ 4.4Å; I103-F145 HydrophobicContact CD1-CE2 4.47Å; I103-F145 HydrophobicContact CG2-CE2 3.83Å; I103-F145 HydrophobicContact CG2-CZ 4.2Å
104I98.7Very high98.4Very high2 Ų254.5 Ų54.51%0.0127%0.271CS..Hα-helixtrans-69.7-38.5-175.2-73-57.4000112.3R100 V101 N106 Q107 V108 F142 F145 F152 V160 T164R100-I104 WeakPolarHBondContact O-CB 3.45Å; R100-I104 PolarHBondContact O-N 3.38Å; V101-I104 PolarHBondContact O-N 2.9Å; I104-N106 VanDerWaalsContact C-N 3.27Å; I104-N106 PolarHBondContact O-N 2.79Å; I104-Q107 PolarHBondContact O-N 3.34Å; I104-V108 HydrophobicContact CG2-CG2 3.96Å; I104-V108 WeakPolarHBondContact O-CB 3.34Å; I104-V108 VanDerWaalsContact O-CG2 3.27Å; I104-V108 WeakPolarHBondContact O-CG2 3.47Å; I104-V108 PolarHBondContact O-N 2.92Å; I104-F142 HydrophobicContact CD1-CD1 4.41Å; I104-F142 HydrophobicContact CD1-CE1 4.45Å; I104-F145 HydrophobicContact CD1-CD1 3.46Å; I104-F145 VanDerWaalsContact CD1-CD1 3.46Å; I104-F145 HydrophobicContact CD1-CD2 4.43Å; I104-F145 HydrophobicContact CD1-CE1 3.54Å; I104-F145 HydrophobicContact CD1-CE2 4.49Å; I104-F145 HydrophobicContact CD1-CG 3.92Å; I104-F145 HydrophobicContact CD1-CZ 4.06Å; I104-F145 HydrophobicContact CG1-CD1 3.66Å; I104-F145 HydrophobicContact CG1-CE1 3.19Å; I104-F145 HydrophobicContact CG1-CG 4.5Å; I104-F145 HydrophobicContact CG1-CZ 3.7Å; I104-F152 HydrophobicContact CD1-CD1 3.86Å; I104-F152 HydrophobicContact CD1-CE1 4.35Å; I104-F152 HydrophobicContact CG1-CB 4.31Å; I104-F152 HydrophobicContact CG1-CD1 3.92Å; I104-F152 HydrophobicContact CG2-CB 4.32Å; I104-F152 HydrophobicContact CG2-CD1 4.35Å; I104-F152 HydrophobicContact CG2-CG 4.43Å; I104-V160 HydrophobicContact CB-CB 4.47Å; I104-V160 HydrophobicContact CG2-CB 3.91Å; I104-V160 HydrophobicContact CG2-CG2 4.3Å; I104-T164 VanDerWaalsContact CG2-OG1 3.31Å; I104-T164 WeakPolarHBondContact CG2-OG1 3.29Å
105E98.8Very high98.4Very high15 Ų1551.6 Ų51.67%0.0725%0.254CS..Hα-helixtrans-54-48174.8-178-174.8-119.400110.8N78 R82 V101 M109 F159 V160 L163N78-E105 HydrophobicContact CB-CG 4.38Å; N78-E105 WeakPolarHBondContact CB-OE1 3.33Å; N78-E105 VanDerWaalsContact ND2-CG 3.32Å; N78-E105 WeakPolarHBondContact ND2-CG 3.47Å; R82-E105 IonicContact CZ-OE1 2.84Å; R82-E105 IonicContact CZ-OE2 3.18Å; R82-E105 VanDerWaalsContact CZ-OE2 3.3Å; R82-E105 VanDerWaalsContact NE-CD 3.3Å; R82-E105 IonicContact NE-OE1 2.66Å; R82-E105 PolarHBondContact NE-OE1 3.36Å; R82-E105 IonicContact NE-OE2 3.64Å; R82-E105 PolarHBondContact NE-OE2 3.36Å; R82-E105 VanDerWaalsContact NE-OE2 3.11Å; R82-E105 VanDerWaalsContact NH2-CD 3.29Å; R82-E105 IonicContact NH2-OE1 3.25Å; R82-E105 IonicContact NH2-OE2 3.21Å; R82-E105 PolarHBondContact NH2-OE2 2.9Å; V101-E105 WeakPolarHBondContact O-CB 3.33Å; V101-E105 PolarHBondContact O-N 2.79Å; E105-M109 WeakPolarHBondContact O-CG 3.48Å; E105-M109 PolarHBondContact O-N 3.34Å; E105-F159 HydrophobicContact CG-CE2 4.34Å; E105-F159 WeakPolarHBondContact OE1-CE2 3.47Å; E105-F159 WeakPolarHBondContact OE1-CZ 3.33Å; E105-V160 HydrophobicContact CB-CG1 4.01Å; E105-L163 HydrophobicContact CG-CD1 4.09Å
106N98.8Very high98.3Very high93 Ų9348.5 Ų48.550%0.49724%0.241SC..Hα-helixtrans-72.6-43.3-178.7-71.9-80.2000112D102 I103 I104 V108 M109 D110D102-N106 PolarHBondContact O-N 2.99Å; D102-N106 PolarHBondContact O-ND2 3.07Å; I103-N106 PolarHBondContact O-N 3.01Å; I104-N106 VanDerWaalsContact C-N 3.27Å; I104-N106 PolarHBondContact O-N 2.79Å; N106-V108 VanDerWaalsContact C-N 3.32Å; N106-V108 PolarHBondContact O-N 2.89Å; N106-M109 PolarHBondContact O-N 2.81Å; N106-M109 VanDerWaalsContact O-N 3.1Å; N106-D110 PolarHBondContact O-N 3.42Å; N106-D110 VanDerWaalsContact O-N 3.07Å
107Q98.6Very high98.3Very high65 Ų6551.4 Ų51.430%0.30425%0.246SC..Hα-helixtrans-61.9-38.5179-174.961.637.200112.5I103 I104 M109 D110 F111 F142I103-Q107 WeakPolarHBondContact O-CB 3.33Å; I103-Q107 PolarHBondContact O-N 2.63Å; I104-Q107 PolarHBondContact O-N 3.34Å; Q107-M109 VanDerWaalsContact C-N 3.32Å; Q107-D110 PolarHBondContact O-N 2.91Å; Q107-F111 WeakPolarHBondContact O-CB 3.48Å; Q107-F111 PolarHBondContact O-N 3.15Å; Q107-F142 HydrophobicContact CG-CE1 4.09Å; Q107-F142 HydrophobicContact CG-CE2 4.46Å; Q107-F142 HydrophobicContact CG-CZ 3.79Å
108V98.3Very high98.3Very high0 Ų050.2 Ų50.20%024%0.241CC..Hα-helixtrans-64.8-37.8175.5165.80000111.2I104 N106 F111 R112 F142 L163 T164 I167I104-V108 HydrophobicContact CG2-CG2 3.96Å; I104-V108 WeakPolarHBondContact O-CB 3.34Å; I104-V108 VanDerWaalsContact O-CG2 3.27Å; I104-V108 WeakPolarHBondContact O-CG2 3.47Å; I104-V108 PolarHBondContact O-N 2.92Å; N106-V108 VanDerWaalsContact C-N 3.32Å; N106-V108 PolarHBondContact O-N 2.89Å; V108-F111 PolarHBondContact O-N 3.2Å; V108-R112 VanDerWaalsContact O-CB 3.26Å; V108-R112 WeakPolarHBondContact O-CB 3.28Å; V108-R112 PolarHBondContact O-N 3.19Å; V108-F142 HydrophobicContact CG2-CE1 3.81Å; V108-F142 HydrophobicContact CG2-CZ 4.32Å; V108-L163 HydrophobicContact CG1-CB 4.05Å; V108-T164 HydrophobicContact CG2-CG2 4.47Å; V108-I167 HydrophobicContact CB-CG2 4.47Å; V108-I167 HydrophobicContact CG1-CB 4.14Å; V108-I167 HydrophobicContact CG1-CG2 3.73Å; V108-I167 HydrophobicContact CG2-CG2 4.15Å
109M97.8Very high98.2Very high43 Ų4346.2 Ų46.221%0.21222%0.223CC..Hα-helixtrans-68.4-39.3178.1-68.1-50.8-61.400112.5N78 E105 N106 Q107 T113N78-M109 VanDerWaalsContact ND2-CG 3.35Å; N78-M109 WeakPolarHBondContact ND2-CG 3.49Å; E105-M109 WeakPolarHBondContact O-CG 3.48Å; E105-M109 PolarHBondContact O-N 3.34Å; N106-M109 PolarHBondContact O-N 2.81Å; N106-M109 VanDerWaalsContact O-N 3.1Å; Q107-M109 VanDerWaalsContact C-N 3.32Å; M109-T113 WeakPolarHBondContact O-CB 3.29Å; M109-T113 PolarHBondContact O-N 3.28Å; M109-T113 PolarHBondContact O-OG1 3.2Å
110D98.3Very high98.2Very high98 Ų9846.6 Ų46.652%0.52422%0.22SC..Hα-helixtrans-63.7-46.2174-74.9-20.1000111.1N106 Q107 R112 T113 Q114N106-D110 PolarHBondContact O-N 3.42Å; N106-D110 VanDerWaalsContact O-N 3.07Å; Q107-D110 PolarHBondContact O-N 2.91Å; D110-R112 PolarHBondContact O-N 3.26Å; D110-T113 WeakPolarHBondContact O-CB 3.36Å; D110-T113 PolarHBondContact O-N 2.71Å; D110-Q114 WeakPolarHBondContact O-CG 3.39Å; D110-Q114 PolarHBondContact O-N 3.21Å
111F98.3Very high98.1Very high1 Ų145.8 Ų45.80%0.00422%0.221CC..Hα-helixtrans-63.8-42.8178.4-176.5-144.6000112.3Q107 V108 T113 Q114 L115 Y131 L135 Q138 L139 F142 I167 N171Q107-F111 WeakPolarHBondContact O-CB 3.48Å; Q107-F111 PolarHBondContact O-N 3.15Å; V108-F111 PolarHBondContact O-N 3.2Å; F111-T113 VanDerWaalsContact C-N 3.33Å; F111-T113 PolarHBondContact O-N 2.95Å; F111-Q114 PolarHBondContact O-N 2.97Å; F111-L115 PolarHBondContact O-N 3.27Å; F111-Y131 WeakPolarHBondContact CE2-OH 3.45Å; F111-L135 HydrophobicContact CE2-CD1 3.9Å; F111-L135 HydrophobicContact CZ-CD1 3.59Å; F111-Q138 HydrophobicContact CE2-CB 4.23Å; F111-L139 HydrophobicContact CE1-CD2 4.25Å; F111-L139 HydrophobicContact CZ-CD2 4.24Å; F111-F142 HydrophobicContact CB-CE2 4.21Å; F111-F142 HydrophobicContact CB-CZ 4.08Å; F111-F142 HydrophobicContact CD1-CD2 4.47Å; F111-F142 AromaticContact CD1-CE2 3.51Å; F111-F142 HydrophobicContact CD1-CE2 3.51Å; F111-F142 AromaticContact CD1-CZ 3.78Å; F111-F142 HydrophobicContact CD1-CZ 3.78Å; F111-F142 HydrophobicContact CE1-CE2 4.05Å; F111-F142 AromaticContact CG-CE2 3.97Å; F111-F142 HydrophobicContact CG-CE2 3.97Å; F111-F142 HydrophobicContact CG-CZ 4.25Å; F111-I167 HydrophobicContact CD1-CD1 4.42Å; F111-I167 HydrophobicContact CD1-CG1 3.46Å; F111-I167 VanDerWaalsContact CD1-CG1 3.46Å; F111-I167 HydrophobicContact CD1-CG2 4.25Å; F111-I167 HydrophobicContact CE1-CG1 3.84Å; F111-I167 HydrophobicContact CG-CG1 4.18Å; F111-N171 WeakPolarHBondContact CE1-ND2 3.33Å; F111-N171 WeakPolarHBondContact CZ-ND2 3.45Å
112R97.9Very high98.1Very high9 Ų951.3 Ų51.33%0.03426%0.26CS..Hα-helixtrans-58.8-45172.9-177.6-176.1-61.4-108.9-2.6111.7V108 D110 Q114 L115 I116 D166 I167V108-R112 VanDerWaalsContact O-CB 3.26Å; V108-R112 WeakPolarHBondContact O-CB 3.28Å; V108-R112 PolarHBondContact O-N 3.19Å; D110-R112 PolarHBondContact O-N 3.26Å; R112-Q114 PolarHBondContact O-N 3.39Å; R112-L115 PolarHBondContact O-N 3.27Å; R112-I116 HydrophobicContact CG-CG1 3.99Å; R112-I116 WeakPolarHBondContact O-CB 3.34Å; R112-I116 VanDerWaalsContact O-CG1 3.29Å; R112-I116 WeakPolarHBondContact O-CG1 3.44Å; R112-I116 PolarHBondContact O-N 3.42Å; R112-D166 IonicContact CZ-OD2 2.66Å; R112-D166 IonicContact NH1-OD2 3.57Å; R112-D166 PolarHBondContact NH1-OD2 3.08Å; R112-D166 IonicContact NH2-OD2 2.71Å; R112-D166 PolarHBondContact NH2-OD2 2.89Å; R112-I167 HydrophobicContact CB-CD1 3.87Å; R112-I167 HydrophobicContact CB-CG1 4.41Å; R112-I167 HydrophobicContact CG-CD1 4.24Å
113T96.8Very high98Very high53 Ų5352.3 Ų52.333%0.32526%0.262SS..Hα-helixtrans-58.8-36.7-178.4-64.10000111.6M109 D110 F111 R117M109-T113 WeakPolarHBondContact O-CB 3.29Å; M109-T113 PolarHBondContact O-N 3.28Å; M109-T113 PolarHBondContact O-OG1 3.2Å; D110-T113 WeakPolarHBondContact O-CB 3.36Å; D110-T113 PolarHBondContact O-N 2.71Å; F111-T113 VanDerWaalsContact C-N 3.33Å; F111-T113 PolarHBondContact O-N 2.95Å; T113-R117 HydrophobicContact CG2-CG 4.35Å; T113-R117 WeakPolarHBondContact O-CB 3.26Å; T113-R117 VanDerWaalsContact O-CG 3.24Å; T113-R117 WeakPolarHBondContact O-CG 3.4Å; T113-R117 PolarHBondContact O-N 3.28Å
114Q97.6Very high97.9Very high66 Ų6648.7 Ų48.731%0.30824%0.243SC..Hα-helixtrans-64.6-49.8177.2-64.717549.500112.3D110 F111 R112 I116 R117 L118 Y131D110-Q114 WeakPolarHBondContact O-CG 3.39Å; D110-Q114 PolarHBondContact O-N 3.21Å; F111-Q114 PolarHBondContact O-N 2.97Å; R112-Q114 PolarHBondContact O-N 3.39Å; Q114-I116 PolarHBondContact O-N 2.96Å; Q114-R117 PolarHBondContact O-N 2.97Å; Q114-L118 PolarHBondContact O-N 2.81Å; Q114-L118 VanDerWaalsContact O-N 3.1Å; Q114-Y131 HydrophobicContact CB-CE2 4.26Å
115L97.8Very high97.9Very high1 Ų155.3 Ų55.31%0.00528%0.275CS..Hα-helixtrans-61.2-44.3176.8-177.357.6000111.4F111 R112 R117 L118 C119 Y131 I167 Q170 F174F111-L115 PolarHBondContact O-N 3.27Å; R112-L115 PolarHBondContact O-N 3.27Å; L115-R117 PolarHBondContact O-N 3.35Å; L115-L118 WeakPolarHBondContact O-CB 3.33Å; L115-L118 PolarHBondContact O-N 2.79Å; L115-C119 PolarHBondContact O-N 2.82Å; L115-C119 PolarHBondContact O-SG 3.42Å; L115-Y131 HydrophobicContact CB-CE2 4.39Å; L115-Y131 HydrophobicContact CD1-CE1 3.91Å; L115-I167 HydrophobicContact CD2-CD1 4.4Å; L115-Q170 HydrophobicContact CD2-CB 4.05Å; L115-F174 HydrophobicContact CD1-CD1 4.26Å; L115-F174 HydrophobicContact CD1-CD2 4.23Å; L115-F174 HydrophobicContact CD1-CE1 4.49Å; L115-F174 HydrophobicContact CD1-CE2 4.49Å; L115-F174 HydrophobicContact CD1-CG 4.13Å
116I97.3Very high97.9Very high52 Ų5261.7 Ų61.727%0.26730%0.302SS..Hα-helixtrans-62.5-43.9179.1-67.3-64000111.4R112 Q114 L118 C119 Y120 N213R112-I116 HydrophobicContact CG-CG1 3.99Å; R112-I116 WeakPolarHBondContact O-CB 3.34Å; R112-I116 VanDerWaalsContact O-CG1 3.29Å; R112-I116 WeakPolarHBondContact O-CG1 3.44Å; R112-I116 PolarHBondContact O-N 3.42Å; Q114-I116 PolarHBondContact O-N 2.96Å; I116-L118 VanDerWaalsContact C-N 3.29Å; I116-L118 PolarHBondContact O-N 2.95Å; I116-C119 PolarHBondContact O-N 3.29Å; I116-Y120 HydrophobicContact CG2-CD2 3.85Å; I116-Y120 HydrophobicContact CG2-CE2 4.06Å; I116-Y120 WeakPolarHBondContact O-CD2 3.44Å; I116-Y120 PolarHBondContact O-N 2.8Å; I116-N213 WeakPolarHBondContact CD1-OD1 3.27Å
117R97.6Very high97.8Very high186 Ų18660.1 Ų60.170%0.70229%0.293SS*.Hα-helixtrans-59-42175.9-77.1175.4-177.5-175.24.1111.7T113 Q114 L115 S121T113-R117 HydrophobicContact CG2-CG 4.35Å; T113-R117 WeakPolarHBondContact O-CB 3.26Å; T113-R117 VanDerWaalsContact O-CG 3.24Å; T113-R117 WeakPolarHBondContact O-CG 3.4Å; T113-R117 PolarHBondContact O-N 3.28Å; Q114-R117 PolarHBondContact O-N 2.97Å; L115-R117 PolarHBondContact O-N 3.35Å; R117-S121 WeakPolarHBondContact O-CB 3.34Å; R117-S121 PolarHBondContact O-N 3.29Å; R117-S121 VanDerWaalsContact O-N 3.11Å
118L98.2Very high97.8Very high9 Ų959.6 Ų59.65%0.04729%0.29CS..Hα-helixtrans-62.2-47174172.263.5000111.8Q114 L115 I116 Y120 S121 H124 L127 K128 Y131 F174Q114-L118 PolarHBondContact O-N 2.81Å; Q114-L118 VanDerWaalsContact O-N 3.1Å; L115-L118 WeakPolarHBondContact O-CB 3.33Å; L115-L118 PolarHBondContact O-N 2.79Å; I116-L118 VanDerWaalsContact C-N 3.29Å; I116-L118 PolarHBondContact O-N 2.95Å; L118-Y120 VanDerWaalsContact C-N 3.32Å; L118-Y120 PolarHBondContact O-N 2.94Å; L118-S121 PolarHBondContact O-N 3.41Å; L118-H124 PolarHBondContact O-ND1 2.84Å; L118-L127 HydrophobicContact CD1-CB 3.56Å; L118-K128 HydrophobicContact CD1-CB 4.27Å; L118-K128 HydrophobicContact CD2-CB 4.49Å; L118-Y131 HydrophobicContact CD2-CD1 3.87Å; L118-Y131 HydrophobicContact CD2-CD2 4.2Å; L118-Y131 HydrophobicContact CD2-CG 3.62Å; L118-F174 HydrophobicContact CD2-CE1 4.1Å; L118-F174 HydrophobicContact CD2-CZ 3.74Å
119C98Very high97.8Very high0 Ų063.4 Ų63.40%032%0.315CS..Hα-helixtrans-67-29.1-176.8-66.10000113.6L115 I116 N213 A217 Q218L115-C119 PolarHBondContact O-N 2.82Å; L115-C119 PolarHBondContact O-SG 3.42Å; I116-C119 PolarHBondContact O-N 3.29Å; C119-N213 WeakPolarHBondContact CB-ND2 3.42Å; C119-A217 CarbonylContact O-C 3.56Å; C119-Q218 PolarHBondContact O-N 2.84Å
120Y98Very high97.8Very high89 Ų8966.3 Ų66.335%0.34933%0.328SS..Hα-helixtrans-98.7-3.8179.5-76.8-94.4000114I116 L118 N213 N214 M216 A217I116-Y120 HydrophobicContact CG2-CD2 3.85Å; I116-Y120 HydrophobicContact CG2-CE2 4.06Å; I116-Y120 WeakPolarHBondContact O-CD2 3.44Å; I116-Y120 PolarHBondContact O-N 2.8Å; L118-Y120 VanDerWaalsContact C-N 3.32Å; L118-Y120 PolarHBondContact O-N 2.94Å; Y120-N213 HydrophobicContact CE2-CB 3.98Å; Y120-N213 WeakPolarHBondContact CE2-OD1 3.33Å; Y120-N214 PolarHBondContact OH-N 3.5Å; Y120-M216 HydrophobicContact CE1-CB 4.41Å; Y120-M216 HydrophobicContact CE1-CE 4.39Å; Y120-A217 HydrophobicContact CD1-CB 3.94Å; Y120-A217 HydrophobicContact CD2-CB 4.07Å; Y120-A217 HydrophobicContact CE1-CB 3.78Å; Y120-A217 HydrophobicContact CE2-CB 3.92Å; Y120-A217 HydrophobicContact CG-CB 4.1Å
121S97.9Very high97.8Very high27 Ų2762.3 Ų62.319%0.18931%0.305CS..  trans-73.2137177-179.90000111.5R117 L118 E123 H124 Q218R117-S121 WeakPolarHBondContact O-CB 3.34Å; R117-S121 PolarHBondContact O-N 3.29Å; R117-S121 VanDerWaalsContact O-N 3.11Å; L118-S121 PolarHBondContact O-N 3.41Å; S121-E123 PolarHBondContact O-N 3.44Å; S121-E123 PolarHBondContact OG-N 3.46Å; S121-H124 PolarHBondContact O-N 3.28Å; S121-Q218 WeakPolarHBondContact O-CG 3.41Å
122S97.1Very high97.9Very high116 Ų11664.7 Ų64.781%0.81132%0.318SS*.THydrogen-bonded Turntrans-64.2-17.3168.355.20000113
123E97.6Very high97.9Very high91 Ų9171.9 Ų71.943%0.42535%0.352SS..THydrogen-bonded Turntrans-96.323.4175.2-64.2-17398.700112.6S121 E125 K126 L127S121-E123 PolarHBondContact O-N 3.44Å; S121-E123 PolarHBondContact OG-N 3.46Å; E123-E125 PolarHBondContact O-N 2.66Å; E123-K126 HydrophobicContact CB-CB 4.42Å; E123-K126 WeakPolarHBondContact O-CB 3.48Å; E123-K126 PolarHBondContact O-N 3.18Å; E123-K126 WeakPolarHBondContact OE1-CD 3.32Å; E123-K126 IonicContact OE1-NZ 2.77Å; E123-K126 PolarHBondContact OE1-NZ 3.17Å; E123-L127 HydrophobicContact CB-CD1 4.17Å; E123-L127 HydrophobicContact CB-CG 4.21Å; E123-L127 PolarHBondContact O-N 2.97Å
124H97.4Very high97.9Very high6 Ų673.3 Ų73.33%0.02836%0.355CS..Hα-helixtrans-43.8-55-176.2-179.874.4000113.7L118 S121 K126 L127 K128 F174 Q218L118-H124 PolarHBondContact O-ND1 2.84Å; S121-H124 PolarHBondContact O-N 3.28Å; H124-K126 PolarHBondContact O-N 3.46Å; H124-L127 PolarHBondContact O-N 3.39Å; H124-K128 VanDerWaalsContact O-CB 3.32Å; H124-K128 WeakPolarHBondContact O-CB 3.45Å; H124-K128 PolarHBondContact O-N 3.03Å; H124-F174 AromaticContact CE1-CE2 3.89Å; H124-Q218 HydrophobicContact CB-CB 3.69Å; H124-Q218 HydrophobicContact CB-CG 3.93Å
125E97.6Very high98Very high142 Ų14270.3 Ų70.366%0.66434%0.341SS*.Hα-helixtrans-62.8-30.2-177.3-66.3-57.8145.200113.3E123 P129E123-E125 PolarHBondContact O-N 2.66Å; E125-P129 WeakPolarHBondContact O-CD 3.44Å
126K98.1Very high98Very high149 Ų14972.9 Ų72.965%0.64836%0.358SS*.Hα-helixtrans-78.6-35.7178.5178.7-176.1165.6-165.90112.1E123 H124E123-K126 HydrophobicContact CB-CB 4.42Å; E123-K126 WeakPolarHBondContact O-CB 3.48Å; E123-K126 PolarHBondContact O-N 3.18Å; E123-K126 WeakPolarHBondContact OE1-CD 3.32Å; E123-K126 IonicContact OE1-NZ 2.77Å; E123-K126 PolarHBondContact OE1-NZ 3.17Å; H124-K126 PolarHBondContact O-N 3.46Å
127L98.1Very high98.1Very high59 Ų5972.4 Ų72.431%0.30937%0.365SS..Hα-helixtrans-86.4-24.2-176.9-64.2174.9000112.9L118 E123 H124 Q130 Y131L118-L127 HydrophobicContact CD1-CB 3.56Å; E123-L127 HydrophobicContact CB-CD1 4.17Å; E123-L127 HydrophobicContact CB-CG 4.21Å; E123-L127 PolarHBondContact O-N 2.97Å; H124-L127 PolarHBondContact O-N 3.39Å; L127-Q130 PolarHBondContact O-N 3.14Å; L127-Y131 PolarHBondContact O-N 3.19Å
128K98.3Very high98.1Very high55 Ų5564.8 Ų64.824%0.23934%0.338CS..Hα-helixtrans-55.8-43.8-177.7176.2174.7-178-179.60114.1L118 H124 Q130 Y131 L132 F174L118-K128 HydrophobicContact CD1-CB 4.27Å; L118-K128 HydrophobicContact CD2-CB 4.49Å; H124-K128 VanDerWaalsContact O-CB 3.32Å; H124-K128 WeakPolarHBondContact O-CB 3.45Å; H124-K128 PolarHBondContact O-N 3.03Å; K128-Q130 VanDerWaalsContact C-N 3.33Å; K128-Q130 PolarHBondContact O-N 3.43Å; K128-Y131 WeakPolarHBondContact O-CB 3.35Å; K128-Y131 PolarHBondContact O-N 3.24Å; K128-L132 HydrophobicContact CG-CD1 4.02Å; K128-L132 HydrophobicContact CG-CG 4.31Å; K128-L132 WeakPolarHBondContact O-CG 3.28Å; K128-L132 PolarHBondContact O-N 3.47Å; K128-F174 HydrophobicContact CD-CE1 4.5Å; K128-F174 HydrophobicContact CD-CZ 3.84Å; K128-F174 HydrophobicContact CG-CE1 4.23Å; K128-F174 HydrophobicContact CG-CZ 3.86Å
129P98.6Very high98.1Very high80 Ų8064.4 Ų64.452%0.51934%0.336SS..Hα-helixtrans-58.2-42.9178.8-26.435.8000113.3E125 Y131 L132 E133E125-P129 WeakPolarHBondContact O-CD 3.44Å; P129-Y131 PolarHBondContact O-N 3.46Å; P129-L132 PolarHBondContact O-N 2.98Å; P129-E133 PolarHBondContact O-N 3.12Å
130Q98.1Very high98.2Very high104 Ų10470.7 Ų70.749%0.48636%0.363SS..Hα-helixtrans-63.1-43.6177.6-177.8-176.9-4.700111.3L127 K128 L132 E133 E134L127-Q130 PolarHBondContact O-N 3.14Å; K128-Q130 VanDerWaalsContact C-N 3.33Å; K128-Q130 PolarHBondContact O-N 3.43Å; Q130-L132 VanDerWaalsContact C-N 3.31Å; Q130-L132 PolarHBondContact O-N 2.66Å; Q130-E133 WeakPolarHBondContact O-CB 3.41Å; Q130-E133 PolarHBondContact O-N 3.43Å; Q130-E134 WeakPolarHBondContact CG-OE1 3.24Å; Q130-E134 PolarHBondContact NE2-OE1 3.4Å; Q130-E134 WeakPolarHBondContact O-CG 3.38Å; Q130-E134 PolarHBondContact O-N 2.82Å
131Y98.5Very high98.2Very high13 Ų1371.8 Ų71.85%0.05137%0.372CS..Hα-helixtrans-58.8-43.7176.4-177.8-95.7000112F111 Q114 L115 L118 L127 K128 P129 E133 E134 L135 N171 F174F111-Y131 WeakPolarHBondContact CE2-OH 3.45Å; Q114-Y131 HydrophobicContact CB-CE2 4.26Å; L115-Y131 HydrophobicContact CB-CE2 4.39Å; L115-Y131 HydrophobicContact CD1-CE1 3.91Å; L118-Y131 HydrophobicContact CD2-CD1 3.87Å; L118-Y131 HydrophobicContact CD2-CD2 4.2Å; L118-Y131 HydrophobicContact CD2-CG 3.62Å; L127-Y131 PolarHBondContact O-N 3.19Å; K128-Y131 WeakPolarHBondContact O-CB 3.35Å; K128-Y131 PolarHBondContact O-N 3.24Å; P129-Y131 PolarHBondContact O-N 3.46Å; Y131-E133 VanDerWaalsContact C-N 3.32Å; Y131-E133 PolarHBondContact O-N 2.91Å; Y131-E134 PolarHBondContact O-N 3.32Å; Y131-L135 HydrophobicContact CE1-CD1 4.33Å; Y131-L135 HydrophobicContact CE1-CD2 4.31Å; Y131-L135 VanDerWaalsContact O-CB 3.27Å; Y131-L135 WeakPolarHBondContact O-CB 3.25Å; Y131-L135 PolarHBondContact O-N 3.01Å; Y131-N171 PolarHBondContact OH-OD1 2.86Å; Y131-F174 HydrophobicContact CD1-CD1 4.23Å; Y131-F174 AromaticContact CD1-CE1 3.8Å; Y131-F174 HydrophobicContact CD1-CE1 3.8Å; Y131-F174 HydrophobicContact CE1-CD1 4.06Å; Y131-F174 HydrophobicContact CE1-CE1 4.08Å
132L98.5Very high98.3Very high52 Ų5270.6 Ų70.627%0.27236%0.363SS..Hα-helixtrans-67.8-31.1178.7-66.4176.9000112.8K128 P129 Q130 L135 P136 F174 E175K128-L132 HydrophobicContact CG-CD1 4.02Å; K128-L132 HydrophobicContact CG-CG 4.31Å; K128-L132 WeakPolarHBondContact O-CG 3.28Å; K128-L132 PolarHBondContact O-N 3.47Å; P129-L132 PolarHBondContact O-N 2.98Å; Q130-L132 VanDerWaalsContact C-N 3.31Å; Q130-L132 PolarHBondContact O-N 2.66Å; L132-L135 HydrophobicContact CD2-CD2 4.36Å; L132-P136 WeakPolarHBondContact O-CD 3.26Å; L132-F174 HydrophobicContact CD2-CD1 4.1Å; L132-F174 HydrophobicContact CD2-CE1 3.89Å; L132-F174 HydrophobicContact CG-CE1 4.47Å; L132-E175 HydrophobicContact CD2-CB 3.87Å; L132-E175 HydrophobicContact CD2-CG 4.1Å
133E98.3Very high98.3Very high159 Ų15966 Ų6674%0.74333%0.331SS*.Hα-helixtrans-67.7-40.3173.2-174.7179.9176.500111.9P129 Q130 Y131P129-E133 PolarHBondContact O-N 3.12Å; Q130-E133 WeakPolarHBondContact O-CB 3.41Å; Q130-E133 PolarHBondContact O-N 3.43Å; Y131-E133 VanDerWaalsContact C-N 3.32Å; Y131-E133 PolarHBondContact O-N 2.91Å
134E98.1Very high98.4Very high84 Ų8466.8 Ų66.839%0.39334%0.341SS..Hα-helixtrans-80.4-26.9-178.5-67.7174.2-171.500113.3Q130 Y131 G137 Q138Q130-E134 WeakPolarHBondContact CG-OE1 3.24Å; Q130-E134 PolarHBondContact NE2-OE1 3.4Å; Q130-E134 WeakPolarHBondContact O-CG 3.38Å; Q130-E134 PolarHBondContact O-N 2.82Å; Y131-E134 PolarHBondContact O-N 3.32Å; E134-G137 PolarHBondContact O-N 2.79Å; E134-Q138 PolarHBondContact O-N 3.5Å
135L98.5Very high98.5Very high3 Ų368.8 Ų68.82%0.01635%0.35CS..Hα-helixtrans-53.9-46.7-172.6176.862.4000114.3F111 Y131 L132 G137 Q138 L139 N171 E175 C178F111-L135 HydrophobicContact CE2-CD1 3.9Å; F111-L135 HydrophobicContact CZ-CD1 3.59Å; Y131-L135 HydrophobicContact CE1-CD1 4.33Å; Y131-L135 HydrophobicContact CE1-CD2 4.31Å; Y131-L135 VanDerWaalsContact O-CB 3.27Å; Y131-L135 WeakPolarHBondContact O-CB 3.25Å; Y131-L135 PolarHBondContact O-N 3.01Å; L132-L135 HydrophobicContact CD2-CD2 4.36Å; L135-G137 VanDerWaalsContact C-N 3.26Å; L135-G137 PolarHBondContact O-N 3.45Å; L135-Q138 PolarHBondContact O-N 2.88Å; L135-Q138 VanDerWaalsContact O-N 3.13Å; L135-L139 HydrophobicContact CD1-CD1 3.85Å; L135-L139 HydrophobicContact CD1-CD2 4.41Å; L135-L139 HydrophobicContact CD1-CG 3.89Å; L135-L139 HydrophobicContact CG-CD1 3.83Å; L135-L139 HydrophobicContact CG-CG 4.31Å; L135-L139 WeakPolarHBondContact O-CG 3.44Å; L135-L139 PolarHBondContact O-N 3.17Å; L135-N171 VanDerWaalsContact CD1-OD1 3.28Å; L135-N171 WeakPolarHBondContact CD1-OD1 3.34Å; L135-E175 HydrophobicContact CD2-CB 4.28Å; L135-C178 HydrophobicContact CD2-CB 3.64Å; L135-C178 HydrophobicContact CG-CB 4.33Å
136P98.6Very high98.5Very high54 Ų5462.1 Ų62.135%0.35132%0.319SS..Hα-helixtrans-59.6-36.7177.4-2434.4000112.9L132 Q138 L139 K140 F182L132-P136 WeakPolarHBondContact O-CD 3.26Å; P136-Q138 VanDerWaalsContact C-N 3.33Å; P136-Q138 PolarHBondContact O-N 3.28Å; P136-L139 PolarHBondContact O-N 3.41Å; P136-K140 VanDerWaalsContact O-CB 3.3Å; P136-K140 WeakPolarHBondContact O-CB 3.26Å; P136-K140 PolarHBondContact O-N 2.92Å; P136-F182 HydrophobicContact CB-CZ 4.5Å; P136-F182 WeakPolarHBondContact O-CZ 3.44Å
137G98.5Very high98.5Very high42 Ų4256.9 Ų56.943%0.43331%0.307SS..Hα-helixtrans-63.7-39.117700000112.3E134 L135 Q141E134-G137 PolarHBondContact O-N 2.79Å; L135-G137 VanDerWaalsContact C-N 3.26Å; L135-G137 PolarHBondContact O-N 3.45Å; G137-Q141 PolarHBondContact O-N 2.75Å
138Q98.3Very high98.5Very high27 Ų2762.8 Ų62.813%0.12633%0.33CS..Hα-helixtrans-70.8-47.2177-62.2-176.4-2500111.5F111 E134 L135 P136 K140 Q141 F142F111-Q138 HydrophobicContact CE2-CB 4.23Å; E134-Q138 PolarHBondContact O-N 3.5Å; L135-Q138 PolarHBondContact O-N 2.88Å; L135-Q138 VanDerWaalsContact O-N 3.13Å; P136-Q138 VanDerWaalsContact C-N 3.33Å; P136-Q138 PolarHBondContact O-N 3.28Å; Q138-K140 VanDerWaalsContact C-N 3.25Å; Q138-K140 PolarHBondContact O-N 3.06Å; Q138-Q141 WeakPolarHBondContact O-CB 3.27Å; Q138-Q141 PolarHBondContact O-N 3.13Å; Q138-F142 WeakPolarHBondContact O-CD2 3.31Å; Q138-F142 PolarHBondContact O-N 2.82Å
139L98.8Very high98.5Very high0 Ų063.1 Ų63.10%033%0.332CS..Hα-helixtrans-61.4-34.7177-67.1173.1000112.1F111 L135 P136 Q141 F142 S143 L168 C178 L179 F182 L185F111-L139 HydrophobicContact CE1-CD2 4.25Å; F111-L139 HydrophobicContact CZ-CD2 4.24Å; L135-L139 HydrophobicContact CD1-CD1 3.85Å; L135-L139 HydrophobicContact CD1-CD2 4.41Å; L135-L139 HydrophobicContact CD1-CG 3.89Å; L135-L139 HydrophobicContact CG-CD1 3.83Å; L135-L139 HydrophobicContact CG-CG 4.31Å; L135-L139 WeakPolarHBondContact O-CG 3.44Å; L135-L139 PolarHBondContact O-N 3.17Å; P136-L139 PolarHBondContact O-N 3.41Å; L139-Q141 VanDerWaalsContact C-N 3.28Å; L139-Q141 PolarHBondContact O-N 2.97Å; L139-F142 PolarHBondContact O-N 3.27Å; L139-S143 WeakPolarHBondContact O-CB 3.48Å; L139-S143 PolarHBondContact O-N 3.42Å; L139-L168 HydrophobicContact CD2-CD2 3.57Å; L139-C178 HydrophobicContact CD1-CB 3.8Å; L139-C178 WeakPolarHBondContact CD1-O 3.25Å; L139-L179 HydrophobicContact CD1-CD2 4.12Å; L139-L179 HydrophobicContact CD2-CD2 3.99Å; L139-F182 HydrophobicContact CB-CD2 3.87Å; L139-F182 HydrophobicContact CB-CE2 3.46Å; L139-F182 VanDerWaalsContact CB-CE2 3.46Å; L139-F182 HydrophobicContact CB-CZ 3.87Å; L139-F182 HydrophobicContact CD1-CD2 4.38Å; L139-F182 HydrophobicContact CD1-CE2 4.03Å; L139-F182 HydrophobicContact CG-CE2 4.42Å; L139-L185 HydrophobicContact CB-CD1 4.4Å
140K98.8Very high98.4Very high133 Ų13360.9 Ų60.958%0.57832%0.318SS*.Hα-helixtrans-59.2-37.7172.2-173.8175.7-179.3176.90112.4P136 Q138 S143 V144 F182P136-K140 VanDerWaalsContact O-CB 3.3Å; P136-K140 WeakPolarHBondContact O-CB 3.26Å; P136-K140 PolarHBondContact O-N 2.92Å; Q138-K140 VanDerWaalsContact C-N 3.25Å; Q138-K140 PolarHBondContact O-N 3.06Å; K140-S143 PolarHBondContact O-N 3.01Å; K140-V144 HydrophobicContact CG-CG2 4.41Å; K140-V144 WeakPolarHBondContact O-CB 3.25Å; K140-V144 VanDerWaalsContact O-CG2 3.29Å; K140-V144 WeakPolarHBondContact O-CG2 3.38Å; K140-V144 PolarHBondContact O-N 3.23Å; K140-F182 HydrophobicContact CB-CE1 3.77Å; K140-F182 HydrophobicContact CB-CZ 4.2Å; K140-F182 HydrophobicContact CG-CE1 4.36Å
141Q98.8Very high98.5Very high112 Ų11257 Ų5752%0.52330%0.299SS..Hα-helixtrans-64.2-44.9176.7-63.117213.100111.3G137 Q138 L139 V144 F145G137-Q141 PolarHBondContact O-N 2.75Å; Q138-Q141 WeakPolarHBondContact O-CB 3.27Å; Q138-Q141 PolarHBondContact O-N 3.13Å; L139-Q141 VanDerWaalsContact C-N 3.28Å; L139-Q141 PolarHBondContact O-N 2.97Å; Q141-V144 PolarHBondContact O-N 3.31Å; Q141-F145 WeakPolarHBondContact O-CB 3.33Å; Q141-F145 PolarHBondContact O-N 2.79Å
142F98.8Very high98.5Very high2 Ų256.4 Ų56.41%0.00930%0.297CS..Hα-helixtrans-62.3-43.3174-72.5-83.9000112.1I104 Q107 V108 F111 Q138 L139 V144 F145 L146 F152 T164 L185I104-F142 HydrophobicContact CD1-CD1 4.41Å; I104-F142 HydrophobicContact CD1-CE1 4.45Å; Q107-F142 HydrophobicContact CG-CE1 4.09Å; Q107-F142 HydrophobicContact CG-CE2 4.46Å; Q107-F142 HydrophobicContact CG-CZ 3.79Å; V108-F142 HydrophobicContact CG2-CE1 3.81Å; V108-F142 HydrophobicContact CG2-CZ 4.32Å; F111-F142 HydrophobicContact CB-CE2 4.21Å; F111-F142 HydrophobicContact CB-CZ 4.08Å; F111-F142 HydrophobicContact CD1-CD2 4.47Å; F111-F142 AromaticContact CD1-CE2 3.51Å; F111-F142 HydrophobicContact CD1-CE2 3.51Å; F111-F142 AromaticContact CD1-CZ 3.78Å; F111-F142 HydrophobicContact CD1-CZ 3.78Å; F111-F142 HydrophobicContact CE1-CE2 4.05Å; F111-F142 AromaticContact CG-CE2 3.97Å; F111-F142 HydrophobicContact CG-CE2 3.97Å; F111-F142 HydrophobicContact CG-CZ 4.25Å; Q138-F142 WeakPolarHBondContact O-CD2 3.31Å; Q138-F142 PolarHBondContact O-N 2.82Å; L139-F142 PolarHBondContact O-N 3.27Å; F142-V144 PolarHBondContact O-N 3.28Å; F142-F145 PolarHBondContact O-N 3.34Å; F142-L146 WeakPolarHBondContact O-CB 3.32Å; F142-L146 PolarHBondContact O-N 2.85Å; F142-F152 HydrophobicContact CB-CE1 4.37Å; F142-F152 HydrophobicContact CD1-CE1 4.09Å; F142-T164 HydrophobicContact CD1-CG2 4.39Å; F142-L185 HydrophobicContact CB-CD1 4.32Å; F142-L185 HydrophobicContact CB-CD2 4.29Å
143S98.9Very high98.5Very high19 Ų1954 Ų5413%0.13329%0.285CS..Hα-helixtrans-60.4-45.5177.5176.20000111.7L139 K140 G147 N184L139-S143 WeakPolarHBondContact O-CB 3.48Å; L139-S143 PolarHBondContact O-N 3.42Å; K140-S143 PolarHBondContact O-N 3.01Å; S143-G147 PolarHBondContact O-N 2.69Å; S143-N184 PolarHBondContact O-ND2 2.73Å; S143-N184 PolarHBondContact OG-ND2 2.97Å; S143-N184 PolarHBondContact OG-OD1 2.74Å
144V98.8Very high98.4Very high107 Ų10746.6 Ų46.665%0.64825%0.251SS*.Hα-helixtrans-64.9-42.2176.31690000111K140 Q141 F142 G147K140-V144 HydrophobicContact CG-CG2 4.41Å; K140-V144 WeakPolarHBondContact O-CB 3.25Å; K140-V144 VanDerWaalsContact O-CG2 3.29Å; K140-V144 WeakPolarHBondContact O-CG2 3.38Å; K140-V144 PolarHBondContact O-N 3.23Å; Q141-V144 PolarHBondContact O-N 3.31Å; F142-V144 PolarHBondContact O-N 3.28Å; V144-G147 PolarHBondContact O-N 2.95Å
145F98.8Very high98.3Very high49 Ų4948.2 Ų48.222%0.21526%0.258CS..Hα-helixtrans-66.2-42.5-179.6-173-83.6000112.7R100 I103 I104 Q141 F142 G147 F152R100-F145 HydrophobicContact CB-CE1 4.25Å; R100-F145 HydrophobicContact CB-CZ 3.91Å; R100-F145 HydrophobicContact CG-CE1 4.39Å; R100-F145 HydrophobicContact CG-CZ 3.88Å; R100-F145 VanDerWaalsContact CZ-CE1 3.49Å; R100-F145 PolarHBondContact NH1-O 3.39Å; R100-F145 VanDerWaalsContact NH2-CE1 3.34Å; R100-F145 PolarHBondContact NH2-O 3.15Å; I103-F145 HydrophobicContact CB-CE2 4.4Å; I103-F145 HydrophobicContact CB-CZ 4.4Å; I103-F145 HydrophobicContact CD1-CE2 4.47Å; I103-F145 HydrophobicContact CG2-CE2 3.83Å; I103-F145 HydrophobicContact CG2-CZ 4.2Å; I104-F145 HydrophobicContact CD1-CD1 3.46Å; I104-F145 VanDerWaalsContact CD1-CD1 3.46Å; I104-F145 HydrophobicContact CD1-CD2 4.43Å; I104-F145 HydrophobicContact CD1-CE1 3.54Å; I104-F145 HydrophobicContact CD1-CE2 4.49Å; I104-F145 HydrophobicContact CD1-CG 3.92Å; I104-F145 HydrophobicContact CD1-CZ 4.06Å; I104-F145 HydrophobicContact CG1-CD1 3.66Å; I104-F145 HydrophobicContact CG1-CE1 3.19Å; I104-F145 HydrophobicContact CG1-CG 4.5Å; I104-F145 HydrophobicContact CG1-CZ 3.7Å; Q141-F145 WeakPolarHBondContact O-CB 3.33Å; Q141-F145 PolarHBondContact O-N 2.79Å; F142-F145 PolarHBondContact O-N 3.34Å; F145-G147 VanDerWaalsContact C-N 3.32Å; F145-F152 AromaticContact CD1-CD1 3.95Å; F145-F152 HydrophobicContact CD1-CD1 3.95Å; F145-F152 HydrophobicContact CE1-CD1 4.44Å
146L98.8Very high98.3Very high2 Ų253 Ų531%0.0128%0.279CS..Hα-helixtrans-60.8-45.7172.1179.964000110.1F142 K148 F149 F152 N184 L185 F188F142-L146 WeakPolarHBondContact O-CB 3.32Å; F142-L146 PolarHBondContact O-N 2.85Å; L146-K148 PolarHBondContact O-N 3.18Å; L146-F149 WeakPolarHBondContact CD1-O 3.41Å; L146-F149 PolarHBondContact O-N 2.71Å; L146-F152 HydrophobicContact CB-CD1 4.44Å; L146-F152 HydrophobicContact CB-CE1 3.94Å; L146-F152 HydrophobicContact CB-CZ 4.05Å; L146-F152 HydrophobicContact CD1-CD2 4.16Å; L146-F152 HydrophobicContact CD1-CE2 4.19Å; L146-F152 HydrophobicContact CD1-CG 4.34Å; L146-F152 HydrophobicContact CD1-CZ 4.4Å; L146-F152 HydrophobicContact CD2-CE2 4.44Å; L146-F152 HydrophobicContact CD2-CZ 4.37Å; L146-N184 HydrophobicContact CD2-CB 4.39Å; L146-L185 HydrophobicContact CD2-CD2 4.02Å; L146-F188 HydrophobicContact CD2-CB 3.92Å
147G98.1Very high98.3Very high38 Ų3851.7 Ų51.739%0.39227%0.269SS..THydrogen-bonded Turntrans57.3-119.1175.300000111.6S143 V144 F145 N184S143-G147 PolarHBondContact O-N 2.69Å; V144-G147 PolarHBondContact O-N 2.95Å; F145-G147 VanDerWaalsContact C-N 3.32Å; G147-N184 PolarHBondContact O-ND2 2.87Å
148K97Very high98.3Very high183 Ų18349.9 Ų49.980%0.79625%0.25SC*.THydrogen-bonded Turntrans-90.6-10-179.268.4175.9-177.7176.50114.5L146L146-K148 PolarHBondContact O-N 3.18Å
149F98.3Very high98.3Very high62 Ų6248.6 Ų48.627%0.27224%0.244SC..  trans-76.4154.8-172.6-67.3-63.2000111.9L146 W151 E155L146-F149 WeakPolarHBondContact CD1-O 3.41Å; L146-F149 PolarHBondContact O-N 2.71Å; F149-W151 WeakPolarHBondContact CB-O 3.5Å; F149-E155 WeakPolarHBondContact CD1-OE1 3.47Å
150S97.6Very high98.3Very high34 Ų3448.6 Ų48.624%0.23824%0.244CC..SBendtrans-76.1-31.1172.6-630000112.1R191S150-R191 PolarHBondContact O-NH1 3.45Å
151W98.8Very high98.3Very high23 Ų2342.3 Ų42.39%0.08722%0.216CC..SBendtrans-131.7159.4-177.6-55.4110.5000110.1F149 A153 G154 E155 K156 L157 D161 F188 R191 F192 L195F149-W151 WeakPolarHBondContact CB-O 3.5Å; W151-A153 VanDerWaalsContact C-N 3.28Å; W151-A153 PolarHBondContact O-N 2.89Å; W151-G154 CarbonylContact C-O 3.54Å; W151-G154 WeakPolarHBondContact CA-O 3.43Å; W151-G154 WeakPolarHBondContact CB-O 3.43Å; W151-G154 PolarHBondContact N-O 2.84Å; W151-G154 PolarHBondContact O-N 2.97Å; W151-G154 VanDerWaalsContact O-N 3.09Å; W151-G154 VanDerWaalsContact O-O 3.05Å; W151-E155 VanDerWaalsContact CD1-O 3.29Å; W151-K156 WeakPolarHBondContact CB-O 3.42Å; W151-L157 HydrophobicContact CD2-CB 4.17Å; W151-L157 HydrophobicContact CD2-CD1 3.66Å; W151-L157 HydrophobicContact CE3-CD1 3.38Å; W151-L157 HydrophobicContact CG-CB 4.36Å; W151-L157 HydrophobicContact CG-CD1 4.43Å; W151-L157 HydrophobicContact CH2-CD1 3.82Å; W151-L157 HydrophobicContact CZ2-CB 4.45Å; W151-L157 HydrophobicContact CZ2-CD1 4.06Å; W151-L157 HydrophobicContact CZ3-CD1 3.49Å; W151-L157 VanDerWaalsContact CZ3-CD1 3.49Å; W151-D161 WeakPolarHBondContact CA-OD1 3.44Å; W151-D161 WeakPolarHBondContact CB-OD1 3.48Å; W151-D161 HydrophobicContact CE3-CB 4.12Å; W151-F188 HydrophobicContact CE3-CD2 4.09Å; W151-F188 AromaticContact CE3-CE2 3.85Å; W151-F188 HydrophobicContact CE3-CE2 3.85Å; W151-F188 HydrophobicContact CZ3-CD2 4.26Å; W151-F188 HydrophobicContact CZ3-CE2 4.06Å; W151-R191 HydrophobicContact CH2-CB 4.36Å; W151-R191 HydrophobicContact CH2-CG 3.67Å; W151-R191 VanDerWaalsContact CZ2-CD 3.47Å; W151-R191 HydrophobicContact CZ2-CG 3.83Å; W151-R191 HydrophobicContact CZ3-CG 4.43Å; W151-F192 HydrophobicContact CZ3-CB 4.21Å; W151-F192 HydrophobicContact CZ3-CD2 4.06Å; W151-L195 HydrophobicContact CH2-CD1 4.01Å; W151-L195 HydrophobicContact CH2-CD2 4.23Å; W151-L195 HydrophobicContact CH2-CG 4.29Å; W151-L195 HydrophobicContact CZ2-CD2 4.24Å
152F98.7Very high98.3Very high0 Ų037 Ų370%019%0.191CC..SBendtrans-66.2-31.4-172.8-85.9-89.7000112.6R100 I104 F142 F145 L146 V160 D161 T164 L185 F188R100-F152 PolarHBondContact NE-O 3.39Å; R100-F152 PolarHBondContact NH2-O 3.41Å; I104-F152 HydrophobicContact CD1-CD1 3.86Å; I104-F152 HydrophobicContact CD1-CE1 4.35Å; I104-F152 HydrophobicContact CG1-CB 4.31Å; I104-F152 HydrophobicContact CG1-CD1 3.92Å; I104-F152 HydrophobicContact CG2-CB 4.32Å; I104-F152 HydrophobicContact CG2-CD1 4.35Å; I104-F152 HydrophobicContact CG2-CG 4.43Å; F142-F152 HydrophobicContact CB-CE1 4.37Å; F142-F152 HydrophobicContact CD1-CE1 4.09Å; F145-F152 AromaticContact CD1-CD1 3.95Å; F145-F152 HydrophobicContact CD1-CD1 3.95Å; F145-F152 HydrophobicContact CE1-CD1 4.44Å; L146-F152 HydrophobicContact CB-CD1 4.44Å; L146-F152 HydrophobicContact CB-CE1 3.94Å; L146-F152 HydrophobicContact CB-CZ 4.05Å; L146-F152 HydrophobicContact CD1-CD2 4.16Å; L146-F152 HydrophobicContact CD1-CE2 4.19Å; L146-F152 HydrophobicContact CD1-CG 4.34Å; L146-F152 HydrophobicContact CD1-CZ 4.4Å; L146-F152 HydrophobicContact CD2-CE2 4.44Å; L146-F152 HydrophobicContact CD2-CZ 4.37Å; F152-V160 HydrophobicContact CB-CG2 4.42Å; F152-D161 PolarHBondContact N-OD1 3.45Å; F152-T164 HydrophobicContact CD1-CG2 4.48Å; F152-T164 HydrophobicContact CD2-CG2 3.8Å; F152-T164 HydrophobicContact CE1-CG2 4.05Å; F152-T164 HydrophobicContact CE2-CG2 3.3Å; F152-T164 HydrophobicContact CG-CG2 4.38Å; F152-T164 HydrophobicContact CZ-CG2 3.44Å; F152-T164 VanDerWaalsContact CZ-CG2 3.44Å; F152-L185 HydrophobicContact CZ-CD2 3.98Å; F152-F188 HydrophobicContact CD2-CD2 4.07Å; F152-F188 AromaticContact CD2-CE2 3.67Å; F152-F188 HydrophobicContact CD2-CE2 3.67Å; F152-F188 AromaticContact CD2-CZ 3.97Å; F152-F188 HydrophobicContact CD2-CZ 3.97Å; F152-F188 HydrophobicContact CE2-CD1 4.06Å; F152-F188 AromaticContact CE2-CD2 3.84Å; F152-F188 HydrophobicContact CE2-CD2 3.84Å; F152-F188 AromaticContact CE2-CE1 3.96Å; F152-F188 HydrophobicContact CE2-CE1 3.96Å; F152-F188 AromaticContact CE2-CE2 3.72Å; F152-F188 HydrophobicContact CE2-CE2 3.72Å; F152-F188 HydrophobicContact CE2-CG 4.01Å; F152-F188 AromaticContact CE2-CZ 3.79Å; F152-F188 HydrophobicContact CE2-CZ 3.79Å
153A98.3Very high98.3Very high2 Ų237 Ų372%0.01719%0.192CC..SBendtrans-80.2-22.717400000113.6R100 V101 W151 T158R100-A153 WeakPolarHBondContact CD-O 3.38Å; R100-A153 PolarHBondContact NE-O 3.49Å; V101-A153 HydrophobicContact CG2-CB 3.76Å; W151-A153 VanDerWaalsContact C-N 3.28Å; W151-A153 PolarHBondContact O-N 2.89Å; A153-T158 HydrophobicContact CB-CG2 3.59Å; A153-T158 WeakPolarHBondContact CB-OG1 3.35Å
154G97.1Very high98.3Very high3 Ų336.1 Ų36.13%0.03119%0.185CC..SBendtrans151.8-132.6-174.700000112.7W151W151-G154 CarbonylContact C-O 3.54Å; W151-G154 WeakPolarHBondContact CA-O 3.43Å; W151-G154 WeakPolarHBondContact CB-O 3.43Å; W151-G154 PolarHBondContact N-O 2.84Å; W151-G154 PolarHBondContact O-N 2.97Å; W151-G154 VanDerWaalsContact O-N 3.09Å; W151-G154 VanDerWaalsContact O-O 3.05Å
155E96Very high98.3Very high118 Ų11831.2 Ų31.255%0.55116%0.155SC*.SBendtrans-87.7-14.4-179.5-61.2-58.6161.200113.8F149 W151F149-E155 WeakPolarHBondContact CD1-OE1 3.47Å; W151-E155 VanDerWaalsContact CD1-O 3.29Å
156K97.8Very high98.3Very high103 Ų10328.9 Ų28.945%0.44815%0.145SC..SBendtrans-106.2141.7178.5-68.2179.4177178.30111.2E93 W151E93-K156 IonicContact OE1-NZ 3.21Å; E93-K156 PolarHBondContact OE1-NZ 3.35Å; E93-K156 IonicContact OE2-NZ 2.61Å; E93-K156 PolarHBondContact OE2-NZ 3.42Å; W151-K156 WeakPolarHBondContact CB-O 3.42Å
157L98.6Very high98.3Very high27 Ų2728.8 Ų28.814%0.14114%0.144CC..  trans-66.7135.8173.8-177.472.9000110.1F27 M90 W151 D161 F162 F192 L195F27-L157 HydrophobicContact CD1-CD2 4.32Å; F27-L157 HydrophobicContact CD2-CD2 4.36Å; F27-L157 HydrophobicContact CE1-CD2 3.69Å; F27-L157 HydrophobicContact CE2-CD2 3.74Å; F27-L157 HydrophobicContact CZ-CD2 3.36Å; M90-L157 HydrophobicContact CE-CD2 4.07Å; M90-L157 HydrophobicContact CE-CG 4.13Å; W151-L157 HydrophobicContact CD2-CB 4.17Å; W151-L157 HydrophobicContact CD2-CD1 3.66Å; W151-L157 HydrophobicContact CE3-CD1 3.38Å; W151-L157 HydrophobicContact CG-CB 4.36Å; W151-L157 HydrophobicContact CG-CD1 4.43Å; W151-L157 HydrophobicContact CH2-CD1 3.82Å; W151-L157 HydrophobicContact CZ2-CB 4.45Å; W151-L157 HydrophobicContact CZ2-CD1 4.06Å; W151-L157 HydrophobicContact CZ3-CD1 3.49Å; W151-L157 VanDerWaalsContact CZ3-CD1 3.49Å; L157-D161 HydrophobicContact CD1-CB 3.48Å; L157-D161 VanDerWaalsContact CD1-CB 3.48Å; L157-F162 HydrophobicContact CD1-CE2 4.17Å; L157-F162 HydrophobicContact CD2-CE2 3.86Å; L157-F162 HydrophobicContact CD2-CZ 3.96Å; L157-F162 HydrophobicContact CG-CE2 3.97Å; L157-F192 HydrophobicContact CD1-CD2 4.4Å; L157-F192 HydrophobicContact CD1-CE2 4.47Å; L157-L195 HydrophobicContact CD1-CD1 4.43Å; L157-L195 HydrophobicContact CD2-CD1 3.75Å
158T98.9Very high98.3Very high4 Ų427 Ų273%0.02513%0.126CC..  trans-132.8171177.459.10000110.7M90 V101 A153 V160 D161 F162M90-T158 WeakPolarHBondContact O-CA 3.4Å; M90-T158 VanDerWaalsContact O-CB 3.29Å; M90-T158 WeakPolarHBondContact O-CB 3.5Å; V101-T158 HydrophobicContact CG2-CG2 4.34Å; A153-T158 HydrophobicContact CB-CG2 3.59Å; A153-T158 WeakPolarHBondContact CB-OG1 3.35Å; T158-V160 PolarHBondContact O-N 3.25Å; T158-V160 VanDerWaalsContact O-N 3.16Å; T158-V160 WeakPolarHBondContact OG1-CG2 3.36Å; T158-D161 PolarHBondContact N-OD2 2.93Å; T158-D161 WeakPolarHBondContact O-CB 3.35Å; T158-D161 PolarHBondContact O-N 2.91Å; T158-D161 VanDerWaalsContact O-N 3.15Å; T158-D161 PolarHBondContact OG1-OD2 2.99Å; T158-F162 WeakPolarHBondContact O-CD2 3.32Å
159F98.9Very high98.4Very high0 Ų018.6 Ų18.60%09%0.089CC..Hα-helixtrans-62.9-23.3-17980.4-87.8000113.8L24 L81 R82 A85 M90 V101 E105 D161 F162 L163L24-F159 HydrophobicContact CD2-CB 4.08Å; L81-F159 HydrophobicContact CB-CD2 3.71Å; L81-F159 HydrophobicContact CB-CE2 4.31Å; L81-F159 HydrophobicContact CB-CG 4.41Å; L81-F159 HydrophobicContact CD1-CD2 4.42Å; R82-F159 HydrophobicContact CG-CE1 3.78Å; R82-F159 HydrophobicContact CG-CE2 3.89Å; R82-F159 HydrophobicContact CG-CZ 3.42Å; R82-F159 VanDerWaalsContact CG-CZ 3.42Å; A85-F159 HydrophobicContact CB-CB 3.73Å; A85-F159 HydrophobicContact CB-CD1 3.8Å; A85-F159 HydrophobicContact CB-CG 4.01Å; M90-F159 WeakPolarHBondContact O-CD1 3.37Å; M90-F159 PolarHBondContact O-N 3.35Å; M90-F159 VanDerWaalsContact O-N 3.09Å; V101-F159 HydrophobicContact CG1-CD1 4.48Å; V101-F159 HydrophobicContact CG1-CE1 3.47Å; V101-F159 VanDerWaalsContact CG1-CE1 3.47Å; V101-F159 HydrophobicContact CG1-CZ 3.77Å; E105-F159 HydrophobicContact CG-CE2 4.34Å; E105-F159 WeakPolarHBondContact OE1-CE2 3.47Å; E105-F159 WeakPolarHBondContact OE1-CZ 3.33Å; F159-D161 PolarHBondContact O-N 3.45Å; F159-F162 WeakPolarHBondContact O-CB 3.35Å; F159-F162 PolarHBondContact O-N 2.93Å; F159-L163 HydrophobicContact CD2-CD1 4.12Å; F159-L163 HydrophobicContact CE2-CD1 3.94Å; F159-L163 PolarHBondContact O-N 3.39Å
160V98.8Very high98.4Very high0 Ų015.7 Ų15.70%08%0.077CC..Hα-helixtrans-71.3-21.1179.1-66.20000112.7V101 I104 E105 F152 T158 F162 L163 T164V101-V160 HydrophobicContact CB-CG1 4.36Å; V101-V160 HydrophobicContact CG1-CG1 3.86Å; V101-V160 HydrophobicContact CG2-CG2 4.06Å; V101-V160 WeakPolarHBondContact O-CG1 3.31Å; I104-V160 HydrophobicContact CB-CB 4.47Å; I104-V160 HydrophobicContact CG2-CB 3.91Å; I104-V160 HydrophobicContact CG2-CG2 4.3Å; E105-V160 HydrophobicContact CB-CG1 4.01Å; F152-V160 HydrophobicContact CB-CG2 4.42Å; T158-V160 PolarHBondContact O-N 3.25Å; T158-V160 VanDerWaalsContact O-N 3.16Å; T158-V160 WeakPolarHBondContact OG1-CG2 3.36Å; V160-F162 VanDerWaalsContact C-N 3.29Å; V160-F162 PolarHBondContact O-N 3.24Å; V160-L163 PolarHBondContact O-N 3.44Å; V160-T164 WeakPolarHBondContact O-CB 3.15Å; V160-T164 PolarHBondContact O-N 3.47Å; V160-T164 PolarHBondContact O-OG1 3.35Å
161D98.9Very high98.4Very high0 Ų014.1 Ų14.10%07%0.066CC..Hα-helixtrans-66.8-33.4171.9-61.3-70.5000111.2W151 F152 L157 T158 F159 T164 Y165 F188 F192W151-D161 WeakPolarHBondContact CA-OD1 3.44Å; W151-D161 WeakPolarHBondContact CB-OD1 3.48Å; W151-D161 HydrophobicContact CE3-CB 4.12Å; F152-D161 PolarHBondContact N-OD1 3.45Å; L157-D161 HydrophobicContact CD1-CB 3.48Å; L157-D161 VanDerWaalsContact CD1-CB 3.48Å; T158-D161 PolarHBondContact N-OD2 2.93Å; T158-D161 WeakPolarHBondContact O-CB 3.35Å; T158-D161 PolarHBondContact O-N 2.91Å; T158-D161 VanDerWaalsContact O-N 3.15Å; T158-D161 PolarHBondContact OG1-OD2 2.99Å; F159-D161 PolarHBondContact O-N 3.45Å; D161-T164 PolarHBondContact O-N 2.92Å; D161-Y165 VanDerWaalsContact O-CB 3.25Å; D161-Y165 WeakPolarHBondContact O-CB 3.3Å; D161-Y165 PolarHBondContact O-N 3.5Å; D161-F188 HydrophobicContact CB-CE2 4.06Å; D161-F188 HydrophobicContact CB-CZ 4.29Å; D161-F188 WeakPolarHBondContact O-CZ 3.5Å; D161-F192 HydrophobicContact CB-CE2 4.49Å
162F98.9Very high98.4Very high0 Ų016.5 Ų16.50%08%0.075CC..Hα-helixtrans-69.8-41.4175.7-63.2-108.3000111.4A20 L23 L24 F27 M90 L157 T158 F159 V160 T164 D166 F192 I198A20-F162 HydrophobicContact CB-CB 4.23Å; L23-F162 HydrophobicContact CB-CD1 3.7Å; L23-F162 HydrophobicContact CB-CE1 4.28Å; L23-F162 WeakPolarHBondContact O-CE1 3.32Å; L24-F162 HydrophobicContact CB-CD1 3.9Å; L24-F162 HydrophobicContact CB-CE1 4.15Å; L24-F162 HydrophobicContact CB-CG 4.3Å; L24-F162 HydrophobicContact CD1-CD1 4.25Å; L24-F162 HydrophobicContact CD1-CD2 4.03Å; L24-F162 HydrophobicContact CD1-CE1 3.97Å; L24-F162 HydrophobicContact CD1-CE2 3.74Å; L24-F162 HydrophobicContact CD1-CG 4.31Å; L24-F162 HydrophobicContact CD1-CZ 3.72Å; F27-F162 HydrophobicContact CB-CE1 3.62Å; F27-F162 HydrophobicContact CB-CZ 3.7Å; F27-F162 HydrophobicContact CD1-CE1 4.46Å; F27-F162 AromaticContact CD1-CZ 3.67Å; F27-F162 HydrophobicContact CD1-CZ 3.67Å; F27-F162 HydrophobicContact CD2-CZ 4.25Å; F27-F162 HydrophobicContact CE1-CZ 4.4Å; F27-F162 HydrophobicContact CG-CE1 4.04Å; F27-F162 AromaticContact CG-CZ 3.59Å; F27-F162 HydrophobicContact CG-CZ 3.59Å; M90-F162 HydrophobicContact CE-CE2 3.61Å; M90-F162 HydrophobicContact CE-CZ 4.05Å; L157-F162 HydrophobicContact CD1-CE2 4.17Å; L157-F162 HydrophobicContact CD2-CE2 3.86Å; L157-F162 HydrophobicContact CD2-CZ 3.96Å; L157-F162 HydrophobicContact CG-CE2 3.97Å; T158-F162 WeakPolarHBondContact O-CD2 3.32Å; F159-F162 WeakPolarHBondContact O-CB 3.35Å; F159-F162 PolarHBondContact O-N 2.93Å; V160-F162 VanDerWaalsContact C-N 3.29Å; V160-F162 PolarHBondContact O-N 3.24Å; F162-T164 VanDerWaalsContact C-N 3.34Å; F162-D166 PolarHBondContact O-N 3.45Å; F162-D166 VanDerWaalsContact O-N 3.12Å; F162-F192 HydrophobicContact CB-CE2 4.47Å; F162-F192 HydrophobicContact CB-CZ 4.33Å; F162-F192 AromaticContact CD1-CE2 3.96Å; F162-F192 HydrophobicContact CD1-CE2 3.96Å; F162-F192 AromaticContact CD1-CZ 3.55Å; F162-F192 HydrophobicContact CD1-CZ 3.55Å; F162-F192 HydrophobicContact CD2-CE2 4.06Å; F162-F192 HydrophobicContact CD2-CZ 4.46Å; F162-F192 HydrophobicContact CE1-CE2 4.11Å; F162-F192 AromaticContact CE1-CZ 3.82Å; F162-F192 HydrophobicContact CE1-CZ 3.82Å; F162-F192 HydrophobicContact CE2-CE2 4.2Å; F162-F192 AromaticContact CG-CE2 3.91Å; F162-F192 HydrophobicContact CG-CE2 3.91Å; F162-F192 AromaticContact CG-CZ 3.88Å; F162-F192 HydrophobicContact CG-CZ 3.88Å; F162-F192 HydrophobicContact CZ-CE2 4.21Å; F162-F192 HydrophobicContact CZ-CZ 4.38Å; F162-I198 HydrophobicContact CE1-CD1 4.09Å
163L98.6Very high98.3Very high4 Ų418.8 Ų18.82%0.0219%0.087CC..Hα-helixtrans-61.3-44.7172.7-78.9172.7000111.5A20 L81 E105 V108 F159 V160 D166 I167A20-L163 HydrophobicContact CB-CD2 4.02Å; A20-L163 HydrophobicContact CB-CG 4.44Å; L81-L163 HydrophobicContact CD1-CD1 3.85Å; L81-L163 HydrophobicContact CD1-CD2 3.38Å; L81-L163 HydrophobicContact CD1-CG 3.52Å; E105-L163 HydrophobicContact CG-CD1 4.09Å; V108-L163 HydrophobicContact CG1-CB 4.05Å; F159-L163 HydrophobicContact CD2-CD1 4.12Å; F159-L163 HydrophobicContact CE2-CD1 3.94Å; F159-L163 PolarHBondContact O-N 3.39Å; V160-L163 PolarHBondContact O-N 3.44Å; L163-D166 PolarHBondContact O-N 3.23Å; L163-I167 PolarHBondContact O-N 2.93Å
164T98.9Very high98.2Very high0 Ų019.2 Ų19.20%09%0.088CC..Hα-helixtrans-71.6-42.3-175.9-52.60000111.1I104 V108 F142 F152 V160 D161 F162 D166 I167 L168 F188I104-T164 VanDerWaalsContact CG2-OG1 3.31Å; I104-T164 WeakPolarHBondContact CG2-OG1 3.29Å; V108-T164 HydrophobicContact CG2-CG2 4.47Å; F142-T164 HydrophobicContact CD1-CG2 4.39Å; F152-T164 HydrophobicContact CD1-CG2 4.48Å; F152-T164 HydrophobicContact CD2-CG2 3.8Å; F152-T164 HydrophobicContact CE1-CG2 4.05Å; F152-T164 HydrophobicContact CE2-CG2 3.3Å; F152-T164 HydrophobicContact CG-CG2 4.38Å; F152-T164 HydrophobicContact CZ-CG2 3.44Å; F152-T164 VanDerWaalsContact CZ-CG2 3.44Å; V160-T164 WeakPolarHBondContact O-CB 3.15Å; V160-T164 PolarHBondContact O-N 3.47Å; V160-T164 PolarHBondContact O-OG1 3.35Å; D161-T164 PolarHBondContact O-N 2.92Å; F162-T164 VanDerWaalsContact C-N 3.34Å; T164-D166 VanDerWaalsContact C-N 3.33Å; T164-D166 PolarHBondContact O-N 3.19Å; T164-I167 VanDerWaalsContact O-CG2 3.32Å; T164-I167 WeakPolarHBondContact O-CG2 3.46Å; T164-I167 PolarHBondContact O-N 2.87Å; T164-L168 HydrophobicContact CG2-CD1 3.91Å; T164-L168 HydrophobicContact CG2-CG 4.17Å; T164-L168 WeakPolarHBondContact O-CB 3.45Å; T164-L168 VanDerWaalsContact O-CG 3.25Å; T164-L168 WeakPolarHBondContact O-CG 3.14Å; T164-L168 PolarHBondContact O-N 3.26Å; T164-F188 HydrophobicContact CG2-CE1 4.36Å; T164-F188 HydrophobicContact CG2-CZ 4.47Å
165Y98.9Very high98.3Very high4 Ų422 Ų222%0.01610%0.1CC..Hα-helixtrans-54.1-49.8171173.6-98.2000111.4L23 D161 I167 L168 D169 M189 F192 E193L23-Y165 HydrophobicContact CD1-CD1 3.66Å; L23-Y165 HydrophobicContact CD1-CE1 3.93Å; D161-Y165 VanDerWaalsContact O-CB 3.25Å; D161-Y165 WeakPolarHBondContact O-CB 3.3Å; D161-Y165 PolarHBondContact O-N 3.5Å; Y165-I167 PolarHBondContact O-N 3.09Å; Y165-L168 PolarHBondContact O-N 2.87Å; Y165-D169 HydrophobicContact CE1-CB 4.48Å; Y165-D169 VanDerWaalsContact O-CB 3.3Å; Y165-D169 WeakPolarHBondContact O-CB 3.48Å; Y165-D169 PolarHBondContact O-N 3.23Å; Y165-M189 HydrophobicContact CD2-CE 3.46Å; Y165-M189 VanDerWaalsContact CD2-CE 3.46Å; Y165-M189 HydrophobicContact CD2-SD 3.69Å; Y165-M189 HydrophobicContact CE2-CE 3.36Å; Y165-M189 HydrophobicContact CE2-SD 4.14Å; Y165-M189 HydrophobicContact CG-CE 4.4Å; Y165-F192 AromaticContact CD1-CD1 3.77Å; Y165-F192 HydrophobicContact CD1-CD1 3.77Å; Y165-F192 AromaticContact CD1-CE1 3.49Å; Y165-F192 HydrophobicContact CD1-CE1 3.49Å; Y165-F192 VanDerWaalsContact CD1-CE1 3.49Å; Y165-F192 HydrophobicContact CD1-CZ 4.26Å; Y165-F192 HydrophobicContact CD2-CB 4.03Å; Y165-F192 AromaticContact CD2-CD1 3.34Å; Y165-F192 HydrophobicContact CD2-CD1 3.34Å; Y165-F192 AromaticContact CD2-CE1 3.98Å; Y165-F192 HydrophobicContact CD2-CE1 3.98Å; Y165-F192 AromaticContact CD2-CG 3.81Å; Y165-F192 HydrophobicContact CD2-CG 3.81Å; Y165-F192 HydrophobicContact CE1-CD1 4.15Å; Y165-F192 AromaticContact CE1-CE1 3.99Å; Y165-F192 HydrophobicContact CE1-CE1 3.99Å; Y165-F192 AromaticContact CE2-CD1 3.77Å; Y165-F192 HydrophobicContact CE2-CD1 3.77Å; Y165-F192 HydrophobicContact CE2-CE1 4.43Å; Y165-F192 AromaticContact CG-CD1 3.34Å; Y165-F192 HydrophobicContact CG-CD1 3.34Å; Y165-F192 AromaticContact CG-CE1 3.48Å; Y165-F192 HydrophobicContact CG-CE1 3.48Å; Y165-F192 VanDerWaalsContact CG-CE1 3.48Å; Y165-F192 AromaticContact CG-CG 3.93Å; Y165-F192 HydrophobicContact CG-CG 3.93Å; Y165-F192 HydrophobicContact CG-CZ 4.17Å; Y165-E193 HydrophobicContact CE2-CG 3.57Å; Y165-E193 WeakPolarHBondContact CE2-OE1 3.34Å; Y165-E193 WeakPolarHBondContact OH-CG 3.29Å; Y165-E193 PolarHBondContact OH-OE1 3.02Å
166D98.6Very high98.3Very high0 Ų020.8 Ų20.80%010%0.102CC..Hα-helixtrans-59.9-45.8-178-179.534000112.2R15 H19 A20 R112 F162 L163 T164 D169 Q170R15-D166 IonicContact CZ-OD1 2.8Å; R15-D166 VanDerWaalsContact CZ-OD1 3.25Å; R15-D166 IonicContact NE-OD1 2.84Å; R15-D166 PolarHBondContact NE-OD1 3.36Å; R15-D166 PolarHBondContact NH2-O 2.95Å; R15-D166 IonicContact NH2-OD1 3.43Å; R15-D166 PolarHBondContact NH2-OD1 3.37Å; H19-D166 IonicContact CD2-OD1 3.3Å; H19-D166 PolarHBondContact CD2-OD1 2.78Å; H19-D166 IonicContact CG-OD1 3.11Å; A20-D166 HydrophobicContact CB-CB 4.47Å; R112-D166 IonicContact CZ-OD2 2.66Å; R112-D166 IonicContact NH1-OD2 3.57Å; R112-D166 PolarHBondContact NH1-OD2 3.08Å; R112-D166 IonicContact NH2-OD2 2.71Å; R112-D166 PolarHBondContact NH2-OD2 2.89Å; F162-D166 PolarHBondContact O-N 3.45Å; F162-D166 VanDerWaalsContact O-N 3.12Å; L163-D166 PolarHBondContact O-N 3.23Å; T164-D166 VanDerWaalsContact C-N 3.33Å; T164-D166 PolarHBondContact O-N 3.19Å; D166-D169 PolarHBondContact O-N 3.43Å; D166-Q170 VanDerWaalsContact O-CG 3.29Å; D166-Q170 WeakPolarHBondContact O-CG 3.43Å; D166-Q170 PolarHBondContact O-N 2.87Å; D166-Q170 PolarHBondContact OD1-NE2 3.32Å; D166-Q170 PolarHBondContact OD2-NE2 3.43Å; D166-Q170 VanDerWaalsContact OD2-NE2 3.14Å
167I98.3Very high98.3Very high0 Ų023.1 Ų23.10%011%0.112CC..Hα-helixtrans-72.1-35.4-179.4-169.954.3000112.8V108 F111 R112 L115 L163 T164 Y165 N171V108-I167 HydrophobicContact CB-CG2 4.47Å; V108-I167 HydrophobicContact CG1-CB 4.14Å; V108-I167 HydrophobicContact CG1-CG2 3.73Å; V108-I167 HydrophobicContact CG2-CG2 4.15Å; F111-I167 HydrophobicContact CD1-CD1 4.42Å; F111-I167 HydrophobicContact CD1-CG1 3.46Å; F111-I167 VanDerWaalsContact CD1-CG1 3.46Å; F111-I167 HydrophobicContact CD1-CG2 4.25Å; F111-I167 HydrophobicContact CE1-CG1 3.84Å; F111-I167 HydrophobicContact CG-CG1 4.18Å; R112-I167 HydrophobicContact CB-CD1 3.87Å; R112-I167 HydrophobicContact CB-CG1 4.41Å; R112-I167 HydrophobicContact CG-CD1 4.24Å; L115-I167 HydrophobicContact CD2-CD1 4.4Å; L163-I167 PolarHBondContact O-N 2.93Å; T164-I167 VanDerWaalsContact O-CG2 3.32Å; T164-I167 WeakPolarHBondContact O-CG2 3.46Å; T164-I167 PolarHBondContact O-N 2.87Å; Y165-I167 PolarHBondContact O-N 3.09Å; I167-N171 PolarHBondContact O-N 3.37Å; I167-N171 VanDerWaalsContact O-N 3.11Å; I167-N171 PolarHBondContact O-ND2 3.29Å
168L98.8Very high98.3Very high0 Ų022.5 Ų22.50%011%0.11CC..Hα-helixtrans-67.9-39.7175.3-69.4-179000110.9L139 T164 Y165 N171 R172 L179 L185 F188 M189L139-L168 HydrophobicContact CD2-CD2 3.57Å; T164-L168 HydrophobicContact CG2-CD1 3.91Å; T164-L168 HydrophobicContact CG2-CG 4.17Å; T164-L168 WeakPolarHBondContact O-CB 3.45Å; T164-L168 VanDerWaalsContact O-CG 3.25Å; T164-L168 WeakPolarHBondContact O-CG 3.14Å; T164-L168 PolarHBondContact O-N 3.26Å; Y165-L168 PolarHBondContact O-N 2.87Å; L168-N171 PolarHBondContact O-N 2.85Å; L168-R172 WeakPolarHBondContact O-CB 3.29Å; L168-R172 PolarHBondContact O-N 3.43Å; L168-L179 HydrophobicContact CD2-CD2 4.26Å; L168-L185 HydrophobicContact CD1-CD2 4.31Å; L168-F188 HydrophobicContact CD1-CD1 3.92Å; L168-F188 HydrophobicContact CD1-CE1 3.95Å; L168-M189 HydrophobicContact CB-CE 4.19Å; L168-M189 HydrophobicContact CB-SD 3.61Å; L168-M189 HydrophobicContact CD1-SD 3.98Å; L168-M189 HydrophobicContact CG-SD 4.46Å
169D98.6Very high98.3Very high6 Ų622.7 Ų22.73%0.03211%0.111CC..Hα-helixtrans-66.9-41.2175.7-176.953000112.1R15 Y165 D166 N171 R172 I173 M189R15-D169 IonicContact CZ-OD2 3.58Å; R15-D169 IonicContact NH1-OD2 3.27Å; R15-D169 PolarHBondContact NH1-OD2 2.95Å; R15-D169 IonicContact NH2-OD2 2.7Å; R15-D169 PolarHBondContact NH2-OD2 3.41Å; Y165-D169 HydrophobicContact CE1-CB 4.48Å; Y165-D169 VanDerWaalsContact O-CB 3.3Å; Y165-D169 WeakPolarHBondContact O-CB 3.48Å; Y165-D169 PolarHBondContact O-N 3.23Å; D166-D169 PolarHBondContact O-N 3.43Å; D169-N171 VanDerWaalsContact C-N 3.28Å; D169-N171 PolarHBondContact O-N 3.36Å; D169-R172 CarbonylContact O-C 3.51Å; D169-R172 WeakPolarHBondContact O-CB 3.34Å; D169-R172 PolarHBondContact O-N 3.24Å; D169-R172 VanDerWaalsContact O-N 3.17Å; D169-R172 IonicContact OD1-CZ 3.08Å; D169-R172 VanDerWaalsContact OD1-CZ 3.31Å; D169-R172 IonicContact OD1-NE 3.18Å; D169-R172 PolarHBondContact OD1-NE 3.36Å; D169-R172 IonicContact OD1-NH2 2.66Å; D169-R172 PolarHBondContact OD1-NH2 3.32Å; D169-I173 VanDerWaalsContact O-CG1 3.28Å; D169-I173 WeakPolarHBondContact O-CG1 3.45Å; D169-I173 PolarHBondContact O-N 2.89Å; D169-I173 WeakPolarHBondContact OD2-CD1 3.24Å; D169-M189 HydrophobicContact CB-CE 3.75Å
170Q98.2Very high98.3Very high2 Ų226.6 Ų26.61%0.00913%0.132CC..Hα-helixtrans-58.2-42.4173.3-74.5174.842.700111.8L115 D166 I173 F174 I212L115-Q170 HydrophobicContact CD2-CB 4.05Å; D166-Q170 VanDerWaalsContact O-CG 3.29Å; D166-Q170 WeakPolarHBondContact O-CG 3.43Å; D166-Q170 PolarHBondContact O-N 2.87Å; D166-Q170 PolarHBondContact OD1-NE2 3.32Å; D166-Q170 PolarHBondContact OD2-NE2 3.43Å; D166-Q170 VanDerWaalsContact OD2-NE2 3.14Å; Q170-I173 PolarHBondContact O-N 2.63Å; Q170-F174 WeakPolarHBondContact O-CB 3.4Å; Q170-F174 PolarHBondContact O-N 2.69Å; Q170-I212 HydrophobicContact CG-CD1 4.14Å; Q170-I212 HydrophobicContact CG-CG1 4.24Å; Q170-I212 HydrophobicContact CG-CG2 4.03Å
171N98.4Very high98.2Very high0 Ų033.9 Ų33.90%017%0.166CC..Hα-helixtrans-68.2-37.1175.5-84.7-81.4000113F111 Y131 L135 I167 L168 D169 I173 F174 E175 C178F111-N171 WeakPolarHBondContact CE1-ND2 3.33Å; F111-N171 WeakPolarHBondContact CZ-ND2 3.45Å; Y131-N171 PolarHBondContact OH-OD1 2.86Å; L135-N171 VanDerWaalsContact CD1-OD1 3.28Å; L135-N171 WeakPolarHBondContact CD1-OD1 3.34Å; I167-N171 PolarHBondContact O-N 3.37Å; I167-N171 VanDerWaalsContact O-N 3.11Å; I167-N171 PolarHBondContact O-ND2 3.29Å; L168-N171 PolarHBondContact O-N 2.85Å; D169-N171 VanDerWaalsContact C-N 3.28Å; D169-N171 PolarHBondContact O-N 3.36Å; N171-I173 VanDerWaalsContact C-N 3.3Å; N171-I173 PolarHBondContact O-N 2.94Å; N171-F174 PolarHBondContact O-N 3.38Å; N171-E175 PolarHBondContact O-N 3.48Å; N171-C178 PolarHBondContact O-SG 3Å
172R97.9Very high98.2Very high73 Ų7334.7 Ų34.728%0.27517%0.17SC..Hα-helixtrans-64.3-34.9172.4-178.3177.766.5175.22.2111.5L168 D169 E175 P176 L179 E193L168-R172 WeakPolarHBondContact O-CB 3.29Å; L168-R172 PolarHBondContact O-N 3.43Å; D169-R172 CarbonylContact O-C 3.51Å; D169-R172 WeakPolarHBondContact O-CB 3.34Å; D169-R172 PolarHBondContact O-N 3.24Å; D169-R172 VanDerWaalsContact O-N 3.17Å; D169-R172 IonicContact OD1-CZ 3.08Å; D169-R172 VanDerWaalsContact OD1-CZ 3.31Å; D169-R172 IonicContact OD1-NE 3.18Å; D169-R172 PolarHBondContact OD1-NE 3.36Å; D169-R172 IonicContact OD1-NH2 2.66Å; D169-R172 PolarHBondContact OD1-NH2 3.32Å; R172-E175 CarbonylContact O-C 3.47Å; R172-P176 WeakPolarHBondContact O-CA 3.41Å; R172-L179 HydrophobicContact CB-CD1 4.33Å; R172-E193 IonicContact CZ-OE1 3.31Å; R172-E193 IonicContact NH1-OE1 2.63Å; R172-E193 PolarHBondContact NH1-OE1 2.95Å; R172-E193 IonicContact NH1-OE2 3.94Å; R172-E193 IonicContact NH2-OE1 2.67Å; R172-E193 PolarHBondContact NH2-OE1 3.48Å
173I96.9Very high98.2Very high49 Ų4939.2 Ų39.225%0.25120%0.199SC..Hα-helixtrans-73.2-36.2174.2-66164.7000110.6D169 Q170 N171 M210 I212 W219D169-I173 VanDerWaalsContact O-CG1 3.28Å; D169-I173 WeakPolarHBondContact O-CG1 3.45Å; D169-I173 PolarHBondContact O-N 2.89Å; D169-I173 WeakPolarHBondContact OD2-CD1 3.24Å; Q170-I173 PolarHBondContact O-N 2.63Å; N171-I173 VanDerWaalsContact C-N 3.3Å; N171-I173 PolarHBondContact O-N 2.94Å; I173-M210 HydrophobicContact CG2-SD 4.49Å; I173-I212 HydrophobicContact CB-CD1 4.31Å; I173-I212 HydrophobicContact CD1-CD1 4.12Å; I173-I212 HydrophobicContact CG2-CD1 4.04Å; I173-W219 HydrophobicContact CB-CH2 4.32Å; I173-W219 HydrophobicContact CG2-CH2 3.84Å; I173-W219 HydrophobicContact CG2-CZ2 3.91Å
174F97Very high98.2Very high11 Ų1141 Ų415%0.04821%0.208CC..Hα-helixtrans-70.9-44.7179.1-169.6-105.8000113.2L115 L118 H124 K128 Y131 L132 Q170 N171 W219L115-F174 HydrophobicContact CD1-CD1 4.26Å; L115-F174 HydrophobicContact CD1-CD2 4.23Å; L115-F174 HydrophobicContact CD1-CE1 4.49Å; L115-F174 HydrophobicContact CD1-CE2 4.49Å; L115-F174 HydrophobicContact CD1-CG 4.13Å; L118-F174 HydrophobicContact CD2-CE1 4.1Å; L118-F174 HydrophobicContact CD2-CZ 3.74Å; H124-F174 AromaticContact CE1-CE2 3.89Å; K128-F174 HydrophobicContact CD-CE1 4.5Å; K128-F174 HydrophobicContact CD-CZ 3.84Å; K128-F174 HydrophobicContact CG-CE1 4.23Å; K128-F174 HydrophobicContact CG-CZ 3.86Å; Y131-F174 HydrophobicContact CD1-CD1 4.23Å; Y131-F174 AromaticContact CD1-CE1 3.8Å; Y131-F174 HydrophobicContact CD1-CE1 3.8Å; Y131-F174 HydrophobicContact CE1-CD1 4.06Å; Y131-F174 HydrophobicContact CE1-CE1 4.08Å; L132-F174 HydrophobicContact CD2-CD1 4.1Å; L132-F174 HydrophobicContact CD2-CE1 3.89Å; L132-F174 HydrophobicContact CG-CE1 4.47Å; Q170-F174 WeakPolarHBondContact O-CB 3.4Å; Q170-F174 PolarHBondContact O-N 2.69Å; N171-F174 PolarHBondContact O-N 3.38Å; F174-W219 HydrophobicContact CB-CH2 3.83Å; F174-W219 HydrophobicContact CB-CZ2 3.98Å; F174-W219 HydrophobicContact CB-CZ3 4.42Å; F174-W219 AromaticContact CD2-CD2 3.57Å; F174-W219 HydrophobicContact CD2-CD2 3.57Å; F174-W219 AromaticContact CD2-CE2 3.48Å; F174-W219 VanDerWaalsContact CD2-CE2 3.48Å; F174-W219 AromaticContact CD2-CE3 3.82Å; F174-W219 HydrophobicContact CD2-CE3 3.82Å; F174-W219 HydrophobicContact CD2-CG 4.14Å; F174-W219 AromaticContact CD2-CH2 3.87Å; F174-W219 HydrophobicContact CD2-CH2 3.87Å; F174-W219 AromaticContact CD2-CZ2 3.66Å; F174-W219 HydrophobicContact CD2-CZ2 3.66Å; F174-W219 AromaticContact CD2-CZ3 3.96Å; F174-W219 HydrophobicContact CD2-CZ3 3.96Å; F174-W219 AromaticContact CD2-NE1 3.94Å; F174-W219 AromaticContact CE2-CD2 3.89Å; F174-W219 HydrophobicContact CE2-CD2 3.89Å; F174-W219 HydrophobicContact CE2-CE3 4.34Å; F174-W219 AromaticContact CE2-CG 3.98Å; F174-W219 HydrophobicContact CE2-CG 3.98Å; F174-W219 HydrophobicContact CG-CH2 4.38Å; F174-W219 HydrophobicContact CG-CZ2 4.31Å
175E97.8Very high98.2Very high62 Ų6241 Ų4129%0.2921%0.208SC..SBendtrans-136.395.4177.2176.444.8-117.200109.1L132 L135 N171 R172 K177 C178L132-E175 HydrophobicContact CD2-CB 3.87Å; L132-E175 HydrophobicContact CD2-CG 4.1Å; L135-E175 HydrophobicContact CD2-CB 4.28Å; N171-E175 PolarHBondContact O-N 3.48Å; R172-E175 CarbonylContact O-C 3.47Å; E175-K177 PolarHBondContact O-N 3.43Å; E175-K177 PolarHBondContact OE1-N 2.97Å; E175-C178 HydrophobicContact CB-CB 4.07Å; E175-C178 HydrophobicContact CG-CB 3.9Å; E175-C178 WeakPolarHBondContact O-CB 3.42Å; E175-C178 PolarHBondContact O-N 3Å; E175-C178 PolarHBondContact O-SG 2.97Å
176P97.7Very high98.2Very high91 Ų9144.3 Ų44.359%0.59122%0.223SC*.THydrogen-bonded Turntrans-53.6-27.5-172.5-31.537.9000116.5R172R172-P176 WeakPolarHBondContact O-CA 3.41Å
177K97.8Very high98.2Very high152 Ų15246.3 Ų46.366%0.66124%0.24SC*.THydrogen-bonded Turntrans-98.12.9-178-62.6-175.6179.6178.50113.6E175 L179 D180E175-K177 PolarHBondContact O-N 3.43Å; E175-K177 PolarHBondContact OE1-N 2.97Å; K177-L179 PolarHBondContact O-N 3.45Å; K177-D180 WeakPolarHBondContact O-CB 3.47Å; K177-D180 PolarHBondContact O-N 2.67Å
178C98.4Very high98.2Very high15 Ų1546.3 Ų46.310%0.10124%0.24CC..THydrogen-bonded Turntrans-60.5-25-172.969.50000113.7L135 L139 N171 E175 F182L135-C178 HydrophobicContact CD2-CB 3.64Å; L135-C178 HydrophobicContact CG-CB 4.33Å; L139-C178 HydrophobicContact CD1-CB 3.8Å; L139-C178 WeakPolarHBondContact CD1-O 3.25Å; N171-C178 PolarHBondContact O-SG 3Å; E175-C178 HydrophobicContact CB-CB 4.07Å; E175-C178 HydrophobicContact CG-CB 3.9Å; E175-C178 WeakPolarHBondContact O-CB 3.42Å; E175-C178 PolarHBondContact O-N 3Å; E175-C178 PolarHBondContact O-SG 2.97Å; C178-F182 WeakPolarHBondContact O-CE2 3.27Å
179L98.4Very high98.2Very high7 Ų746.4 Ų46.44%0.03724%0.24CC..THydrogen-bonded Turntrans-92.3-1.2179.2-59.5-179.6000114L139 L168 R172 K177 E181 F182 L185 K186 M189L139-L179 HydrophobicContact CD1-CD2 4.12Å; L139-L179 HydrophobicContact CD2-CD2 3.99Å; L168-L179 HydrophobicContact CD2-CD2 4.26Å; R172-L179 HydrophobicContact CB-CD1 4.33Å; K177-L179 PolarHBondContact O-N 3.45Å; L179-E181 VanDerWaalsContact C-N 3.29Å; L179-E181 PolarHBondContact O-N 2.88Å; L179-F182 PolarHBondContact O-N 2.86Å; L179-L185 HydrophobicContact CD2-CB 4.33Å; L179-L185 HydrophobicContact CD2-CD1 4.24Å; L179-K186 HydrophobicContact CB-CD 4.49Å; L179-K186 HydrophobicContact CB-CG 3.86Å; L179-K186 WeakPolarHBondContact O-CD 3.25Å; L179-K186 WeakPolarHBondContact O-CE 3.28Å; L179-K186 WeakPolarHBondContact O-CG 3.22Å; L179-M189 HydrophobicContact CD1-CG 3.96Å
180D98.2Very high98.2Very high83 Ų8350 Ų5044%0.44427%0.265SS..THydrogen-bonded Turntrans-64.6-34.2-167.7-87.5-24.8000114.2K177 F182 K186K177-D180 WeakPolarHBondContact O-CB 3.47Å; K177-D180 PolarHBondContact O-N 2.67Å; D180-F182 VanDerWaalsContact C-N 3.27Å; D180-F182 PolarHBondContact O-N 3.18Å; D180-K186 WeakPolarHBondContact O-CE 3.45Å; D180-K186 PolarHBondContact O-NZ 3.17Å; D180-K186 IonicContact OD1-NZ 3.18Å; D180-K186 PolarHBondContact OD1-NZ 2.96Å
181E97.8Very high98.3Very high153 Ų15353.9 Ų53.972%0.71528%0.28SS*.THydrogen-bonded Turntrans-81.4-2.9178.1-58-169.2138.600113.5L179 P183L179-E181 VanDerWaalsContact C-N 3.29Å; L179-E181 PolarHBondContact O-N 2.88Å; E181-P183 VanDerWaalsContact C-CD 3.49Å; E181-P183 VanDerWaalsContact O-CD 3.26Å; E181-P183 WeakPolarHBondContact O-CD 3.35Å
182F98.6Very high98.3Very high16 Ų1653.9 Ų53.97%0.0728%0.28CS..  trans-120.376.6-176-50.3-70.7000111.7P136 L139 K140 C178 L179 D180 N184 L185 K186P136-F182 HydrophobicContact CB-CZ 4.5Å; P136-F182 WeakPolarHBondContact O-CZ 3.44Å; L139-F182 HydrophobicContact CB-CD2 3.87Å; L139-F182 HydrophobicContact CB-CE2 3.46Å; L139-F182 VanDerWaalsContact CB-CE2 3.46Å; L139-F182 HydrophobicContact CB-CZ 3.87Å; L139-F182 HydrophobicContact CD1-CD2 4.38Å; L139-F182 HydrophobicContact CD1-CE2 4.03Å; L139-F182 HydrophobicContact CG-CE2 4.42Å; K140-F182 HydrophobicContact CB-CE1 3.77Å; K140-F182 HydrophobicContact CB-CZ 4.2Å; K140-F182 HydrophobicContact CG-CE1 4.36Å; C178-F182 WeakPolarHBondContact O-CE2 3.27Å; L179-F182 PolarHBondContact O-N 2.86Å; D180-F182 VanDerWaalsContact C-N 3.27Å; D180-F182 PolarHBondContact O-N 3.18Å; F182-N184 PolarHBondContact O-N 3.2Å; F182-N184 VanDerWaalsContact O-N 3.17Å; F182-L185 HydrophobicContact CB-CB 3.92Å; F182-L185 HydrophobicContact CB-CD1 3.84Å; F182-L185 HydrophobicContact CB-CG 3.94Å; F182-L185 HydrophobicContact CD2-CD1 4.47Å; F182-L185 HydrophobicContact CG-CD1 4.12Å; F182-L185 PolarHBondContact O-N 3.31Å; F182-L185 VanDerWaalsContact O-N 3.09Å; F182-K186 PolarHBondContact O-N 3.36Å
183P98.5Very high98.3Very high95 Ų9552.9 Ų52.962%0.61728%0.278SS*.Hα-helixtrans-55.2-35.4-177.9-26.933.9000114.4E181 K186 A187E181-P183 VanDerWaalsContact C-CD 3.49Å; E181-P183 VanDerWaalsContact O-CD 3.26Å; E181-P183 WeakPolarHBondContact O-CD 3.35Å; P183-K186 PolarHBondContact O-N 3.11Å; P183-A187 WeakPolarHBondContact O-CB 3.36Å; P183-A187 PolarHBondContact O-N 2.83Å
184N98.8Very high98.4Very high41 Ų4154.1 Ų54.122%0.21930%0.295CS..Hα-helixtrans-71.9-34.5179.366.3-21.1000112.8S143 L146 G147 F182 A187 F188S143-N184 PolarHBondContact O-ND2 2.73Å; S143-N184 PolarHBondContact OG-ND2 2.97Å; S143-N184 PolarHBondContact OG-OD1 2.74Å; L146-N184 HydrophobicContact CD2-CB 4.39Å; G147-N184 PolarHBondContact O-ND2 2.87Å; F182-N184 PolarHBondContact O-N 3.2Å; F182-N184 VanDerWaalsContact O-N 3.17Å; N184-A187 PolarHBondContact O-N 3.11Å; N184-F188 WeakPolarHBondContact O-CB 3.28Å; N184-F188 PolarHBondContact O-N 3.43Å
185L98.8Very high98.5Very high0 Ų055.3 Ų55.30%030%0.302CS..Hα-helixtrans-68.8-42171.8-64.2-175000111L139 F142 L146 F152 L168 L179 F182 A187 F188 M189L139-L185 HydrophobicContact CB-CD1 4.4Å; F142-L185 HydrophobicContact CB-CD1 4.32Å; F142-L185 HydrophobicContact CB-CD2 4.29Å; L146-L185 HydrophobicContact CD2-CD2 4.02Å; F152-L185 HydrophobicContact CZ-CD2 3.98Å; L168-L185 HydrophobicContact CD1-CD2 4.31Å; L179-L185 HydrophobicContact CD2-CB 4.33Å; L179-L185 HydrophobicContact CD2-CD1 4.24Å; F182-L185 HydrophobicContact CB-CB 3.92Å; F182-L185 HydrophobicContact CB-CD1 3.84Å; F182-L185 HydrophobicContact CB-CG 3.94Å; F182-L185 HydrophobicContact CD2-CD1 4.47Å; F182-L185 HydrophobicContact CG-CD1 4.12Å; F182-L185 PolarHBondContact O-N 3.31Å; F182-L185 VanDerWaalsContact O-N 3.09Å; L185-A187 VanDerWaalsContact C-N 3.32Å; L185-A187 PolarHBondContact O-N 2.82Å; L185-F188 WeakPolarHBondContact O-CB 3.37Å; L185-F188 PolarHBondContact O-N 3.5Å; L185-M189 WeakPolarHBondContact O-CG 3.43Å; L185-M189 PolarHBondContact O-N 2.88Å
186K98.6Very high98.5Very high74 Ų7460.5 Ų60.532%0.32233%0.327SS..Hα-helixtrans-58.5-44.4171.7-74.4-169.3-76.3-170.20111.7L179 D180 F182 P183 F188 M189 C190L179-K186 HydrophobicContact CB-CD 4.49Å; L179-K186 HydrophobicContact CB-CG 3.86Å; L179-K186 WeakPolarHBondContact O-CD 3.25Å; L179-K186 WeakPolarHBondContact O-CE 3.28Å; L179-K186 WeakPolarHBondContact O-CG 3.22Å; D180-K186 WeakPolarHBondContact O-CE 3.45Å; D180-K186 PolarHBondContact O-NZ 3.17Å; D180-K186 IonicContact OD1-NZ 3.18Å; D180-K186 PolarHBondContact OD1-NZ 2.96Å; F182-K186 PolarHBondContact O-N 3.36Å; P183-K186 PolarHBondContact O-N 3.11Å; K186-F188 VanDerWaalsContact C-N 3.33Å; K186-F188 PolarHBondContact O-N 3.34Å; K186-M189 PolarHBondContact O-N 3.38Å; K186-C190 PolarHBondContact O-N 3.1Å; K186-C190 PolarHBondContact O-SG 2.91Å; K186-C190 VanDerWaalsContact O-SG 3.35Å
187A98.7Very high98.5Very high43 Ų4360.2 Ų60.236%0.35532%0.316SS..Hα-helixtrans-62.7-39176.300000112.3P183 N184 L185 R191P183-A187 WeakPolarHBondContact O-CB 3.36Å; P183-A187 PolarHBondContact O-N 2.83Å; N184-A187 PolarHBondContact O-N 3.11Å; L185-A187 VanDerWaalsContact C-N 3.32Å; L185-A187 PolarHBondContact O-N 2.82Å; A187-R191 VanDerWaalsContact O-CB 3.25Å; A187-R191 WeakPolarHBondContact O-CB 3.4Å; A187-R191 PolarHBondContact O-N 2.78Å
188F98.9Very high98.6Very high0 Ų053 Ų530%028%0.284CS..Hα-helixtrans-60-48.6172.1164-93.7000111.8L146 W151 F152 D161 T164 L168 N184 L185 K186 C190 R191 F192L146-F188 HydrophobicContact CD2-CB 3.92Å; W151-F188 HydrophobicContact CE3-CD2 4.09Å; W151-F188 AromaticContact CE3-CE2 3.85Å; W151-F188 HydrophobicContact CE3-CE2 3.85Å; W151-F188 HydrophobicContact CZ3-CD2 4.26Å; W151-F188 HydrophobicContact CZ3-CE2 4.06Å; F152-F188 HydrophobicContact CD2-CD2 4.07Å; F152-F188 AromaticContact CD2-CE2 3.67Å; F152-F188 HydrophobicContact CD2-CE2 3.67Å; F152-F188 AromaticContact CD2-CZ 3.97Å; F152-F188 HydrophobicContact CD2-CZ 3.97Å; F152-F188 HydrophobicContact CE2-CD1 4.06Å; F152-F188 AromaticContact CE2-CD2 3.84Å; F152-F188 HydrophobicContact CE2-CD2 3.84Å; F152-F188 AromaticContact CE2-CE1 3.96Å; F152-F188 HydrophobicContact CE2-CE1 3.96Å; F152-F188 AromaticContact CE2-CE2 3.72Å; F152-F188 HydrophobicContact CE2-CE2 3.72Å; F152-F188 HydrophobicContact CE2-CG 4.01Å; F152-F188 AromaticContact CE2-CZ 3.79Å; F152-F188 HydrophobicContact CE2-CZ 3.79Å; D161-F188 HydrophobicContact CB-CE2 4.06Å; D161-F188 HydrophobicContact CB-CZ 4.29Å; D161-F188 WeakPolarHBondContact O-CZ 3.5Å; T164-F188 HydrophobicContact CG2-CE1 4.36Å; T164-F188 HydrophobicContact CG2-CZ 4.47Å; L168-F188 HydrophobicContact CD1-CD1 3.92Å; L168-F188 HydrophobicContact CD1-CE1 3.95Å; N184-F188 WeakPolarHBondContact O-CB 3.28Å; N184-F188 PolarHBondContact O-N 3.43Å; L185-F188 WeakPolarHBondContact O-CB 3.37Å; L185-F188 PolarHBondContact O-N 3.5Å; K186-F188 VanDerWaalsContact C-N 3.33Å; K186-F188 PolarHBondContact O-N 3.34Å; F188-C190 PolarHBondContact O-N 3.4Å; F188-R191 PolarHBondContact O-N 3Å; F188-F192 WeakPolarHBondContact O-CB 3.49Å; F188-F192 PolarHBondContact O-N 3.17Å
189M98.8Very high98.6Very high2 Ų253.4 Ų53.41%0.0129%0.289CS..Hα-helixtrans-57.5-50.1177.6-64.7-58.6-73.100111.2Y165 L168 D169 L179 L185 K186 R191 F192 E193Y165-M189 HydrophobicContact CD2-CE 3.46Å; Y165-M189 VanDerWaalsContact CD2-CE 3.46Å; Y165-M189 HydrophobicContact CD2-SD 3.69Å; Y165-M189 HydrophobicContact CE2-CE 3.36Å; Y165-M189 HydrophobicContact CE2-SD 4.14Å; Y165-M189 HydrophobicContact CG-CE 4.4Å; L168-M189 HydrophobicContact CB-CE 4.19Å; L168-M189 HydrophobicContact CB-SD 3.61Å; L168-M189 HydrophobicContact CD1-SD 3.98Å; L168-M189 HydrophobicContact CG-SD 4.46Å; D169-M189 HydrophobicContact CB-CE 3.75Å; L179-M189 HydrophobicContact CD1-CG 3.96Å; L185-M189 WeakPolarHBondContact O-CG 3.43Å; L185-M189 PolarHBondContact O-N 2.88Å; K186-M189 PolarHBondContact O-N 3.38Å; M189-R191 VanDerWaalsContact C-N 3.34Å; M189-R191 PolarHBondContact O-N 3.22Å; M189-F192 PolarHBondContact O-N 3.17Å; M189-E193 WeakPolarHBondContact O-CB 3.36Å; M189-E193 VanDerWaalsContact O-CG 3.32Å; M189-E193 WeakPolarHBondContact O-CG 3.42Å; M189-E193 PolarHBondContact O-N 3.17Å
190C98.6Very high98.6Very high81 Ų8156 Ų5655%0.54731%0.312SS..Hα-helixtrans-62.1-40.7178.4-64.90000112.4K186 F188 A194K186-C190 PolarHBondContact O-N 3.1Å; K186-C190 PolarHBondContact O-SG 2.91Å; K186-C190 VanDerWaalsContact O-SG 3.35Å; F188-C190 PolarHBondContact O-N 3.4Å; C190-A194 VanDerWaalsContact O-CB 3.24Å; C190-A194 WeakPolarHBondContact O-CB 3.4Å; C190-A194 PolarHBondContact O-N 3.29Å
191R98.8Very high98.5Very high84 Ų8452.3 Ų52.332%0.31729%0.291SS..Hα-helixtrans-64.2-43.4178.4-173.3-170.4-60107.93.5111.4S150 W151 A187 F188 M189 A194 L195S150-R191 PolarHBondContact O-NH1 3.45Å; W151-R191 HydrophobicContact CH2-CB 4.36Å; W151-R191 HydrophobicContact CH2-CG 3.67Å; W151-R191 VanDerWaalsContact CZ2-CD 3.47Å; W151-R191 HydrophobicContact CZ2-CG 3.83Å; W151-R191 HydrophobicContact CZ3-CG 4.43Å; A187-R191 VanDerWaalsContact O-CB 3.25Å; A187-R191 WeakPolarHBondContact O-CB 3.4Å; A187-R191 PolarHBondContact O-N 2.78Å; F188-R191 PolarHBondContact O-N 3Å; M189-R191 VanDerWaalsContact C-N 3.34Å; M189-R191 PolarHBondContact O-N 3.22Å; R191-A194 PolarHBondContact O-N 3.13Å; R191-L195 PolarHBondContact O-N 3.26Å
192F98.9Very high98.5Very high0 Ų047.3 Ų47.30%027%0.269CS..Hα-helixtrans-64.6-46.4178.1-171.7-85.4000111.3L23 W151 L157 D161 F162 Y165 F188 M189 A194 L195 I198L23-F192 HydrophobicContact CD1-CE1 4.22Å; L23-F192 HydrophobicContact CD1-CZ 4.41Å; W151-F192 HydrophobicContact CZ3-CB 4.21Å; W151-F192 HydrophobicContact CZ3-CD2 4.06Å; L157-F192 HydrophobicContact CD1-CD2 4.4Å; L157-F192 HydrophobicContact CD1-CE2 4.47Å; D161-F192 HydrophobicContact CB-CE2 4.49Å; F162-F192 HydrophobicContact CB-CE2 4.47Å; F162-F192 HydrophobicContact CB-CZ 4.33Å; F162-F192 AromaticContact CD1-CE2 3.96Å; F162-F192 HydrophobicContact CD1-CE2 3.96Å; F162-F192 AromaticContact CD1-CZ 3.55Å; F162-F192 HydrophobicContact CD1-CZ 3.55Å; F162-F192 HydrophobicContact CD2-CE2 4.06Å; F162-F192 HydrophobicContact CD2-CZ 4.46Å; F162-F192 HydrophobicContact CE1-CE2 4.11Å; F162-F192 AromaticContact CE1-CZ 3.82Å; F162-F192 HydrophobicContact CE1-CZ 3.82Å; F162-F192 HydrophobicContact CE2-CE2 4.2Å; F162-F192 AromaticContact CG-CE2 3.91Å; F162-F192 HydrophobicContact CG-CE2 3.91Å; F162-F192 AromaticContact CG-CZ 3.88Å; F162-F192 HydrophobicContact CG-CZ 3.88Å; F162-F192 HydrophobicContact CZ-CE2 4.21Å; F162-F192 HydrophobicContact CZ-CZ 4.38Å; Y165-F192 AromaticContact CD1-CD1 3.77Å; Y165-F192 HydrophobicContact CD1-CD1 3.77Å; Y165-F192 AromaticContact CD1-CE1 3.49Å; Y165-F192 HydrophobicContact CD1-CE1 3.49Å; Y165-F192 VanDerWaalsContact CD1-CE1 3.49Å; Y165-F192 HydrophobicContact CD1-CZ 4.26Å; Y165-F192 HydrophobicContact CD2-CB 4.03Å; Y165-F192 AromaticContact CD2-CD1 3.34Å; Y165-F192 HydrophobicContact CD2-CD1 3.34Å; Y165-F192 AromaticContact CD2-CE1 3.98Å; Y165-F192 HydrophobicContact CD2-CE1 3.98Å; Y165-F192 AromaticContact CD2-CG 3.81Å; Y165-F192 HydrophobicContact CD2-CG 3.81Å; Y165-F192 HydrophobicContact CE1-CD1 4.15Å; Y165-F192 AromaticContact CE1-CE1 3.99Å; Y165-F192 HydrophobicContact CE1-CE1 3.99Å; Y165-F192 AromaticContact CE2-CD1 3.77Å; Y165-F192 HydrophobicContact CE2-CD1 3.77Å; Y165-F192 HydrophobicContact CE2-CE1 4.43Å; Y165-F192 AromaticContact CG-CD1 3.34Å; Y165-F192 HydrophobicContact CG-CD1 3.34Å; Y165-F192 AromaticContact CG-CE1 3.48Å; Y165-F192 HydrophobicContact CG-CE1 3.48Å; Y165-F192 VanDerWaalsContact CG-CE1 3.48Å; Y165-F192 AromaticContact CG-CG 3.93Å; Y165-F192 HydrophobicContact CG-CG 3.93Å; Y165-F192 HydrophobicContact CG-CZ 4.17Å; F188-F192 WeakPolarHBondContact O-CB 3.49Å; F188-F192 PolarHBondContact O-N 3.17Å; M189-F192 PolarHBondContact O-N 3.17Å; F192-A194 PolarHBondContact O-N 3.26Å; F192-L195 HydrophobicContact CD2-CD1 4.17Å; F192-L195 HydrophobicContact CE2-CD1 4.47Å; F192-L195 HydrophobicContact CG-CD1 4.49Å; F192-L195 WeakPolarHBondContact O-CB 3.28Å; F192-L195 WeakPolarHBondContact O-CG 3.21Å; F192-L195 PolarHBondContact O-N 3.02Å; F192-I198 HydrophobicContact CD1-CG2 4.07Å; F192-I198 HydrophobicContact CE1-CD1 4.39Å; F192-I198 HydrophobicContact CE1-CG1 4.22Å; F192-I198 HydrophobicContact CE1-CG2 3.86Å; F192-I198 HydrophobicContact CZ-CD1 4.41Å; F192-I198 HydrophobicContact CZ-CG1 4.4Å
193E98.7Very high98.4Very high51 Ų5154.3 Ų54.324%0.23830%0.302CS..Hα-helixtrans-65.6-23.7178.4-71171173.100113.1Y165 R172 M189 A199 I202Y165-E193 HydrophobicContact CE2-CG 3.57Å; Y165-E193 WeakPolarHBondContact CE2-OE1 3.34Å; Y165-E193 WeakPolarHBondContact OH-CG 3.29Å; Y165-E193 PolarHBondContact OH-OE1 3.02Å; R172-E193 IonicContact CZ-OE1 3.31Å; R172-E193 IonicContact NH1-OE1 2.63Å; R172-E193 PolarHBondContact NH1-OE1 2.95Å; R172-E193 IonicContact NH1-OE2 3.94Å; R172-E193 IonicContact NH2-OE1 2.67Å; R172-E193 PolarHBondContact NH2-OE1 3.48Å; M189-E193 WeakPolarHBondContact O-CB 3.36Å; M189-E193 VanDerWaalsContact O-CG 3.32Å; M189-E193 WeakPolarHBondContact O-CG 3.42Å; M189-E193 PolarHBondContact O-N 3.17Å; E193-A199 WeakPolarHBondContact O-CB 3.35Å; E193-I202 HydrophobicContact CB-CD1 4.44Å; E193-I202 HydrophobicContact CG-CD1 4.09Å
194A98.6Very high98.2Very high75 Ų7551.8 Ų51.862%0.6229%0.287SS*.THydrogen-bonded Turntrans-86.4-4.3177.100000114.3C190 R191 F192 E196C190-A194 VanDerWaalsContact O-CB 3.24Å; C190-A194 WeakPolarHBondContact O-CB 3.4Å; C190-A194 PolarHBondContact O-N 3.29Å; R191-A194 PolarHBondContact O-N 3.13Å; F192-A194 PolarHBondContact O-N 3.26Å; A194-E196 PolarHBondContact O-N 3.47Å
195L98.6Very high98Very high36 Ų3658.3 Ų58.319%0.18832%0.321CS..SBendtrans-62.4123.6171.7-65.6171.2000108.6F27 W151 L157 R191 F192 K197 I198 A199F27-L195 HydrophobicContact CD2-CD1 4.23Å; F27-L195 HydrophobicContact CE2-CB 4.38Å; F27-L195 HydrophobicContact CE2-CD1 3.98Å; F27-L195 HydrophobicContact CE2-CD2 4.36Å; F27-L195 HydrophobicContact CE2-CG 4.48Å; W151-L195 HydrophobicContact CH2-CD1 4.01Å; W151-L195 HydrophobicContact CH2-CD2 4.23Å; W151-L195 HydrophobicContact CH2-CG 4.29Å; W151-L195 HydrophobicContact CZ2-CD2 4.24Å; L157-L195 HydrophobicContact CD1-CD1 4.43Å; L157-L195 HydrophobicContact CD2-CD1 3.75Å; R191-L195 PolarHBondContact O-N 3.26Å; F192-L195 HydrophobicContact CD2-CD1 4.17Å; F192-L195 HydrophobicContact CE2-CD1 4.47Å; F192-L195 HydrophobicContact CG-CD1 4.49Å; F192-L195 WeakPolarHBondContact O-CB 3.28Å; F192-L195 WeakPolarHBondContact O-CG 3.21Å; F192-L195 PolarHBondContact O-N 3.02Å; L195-K197 VanDerWaalsContact C-N 3.34Å; L195-K197 PolarHBondContact O-N 3.04Å; L195-K197 VanDerWaalsContact O-N 3.13Å; L195-I198 HydrophobicContact CB-CB 4.03Å; L195-I198 HydrophobicContact CB-CG1 3.92Å; L195-I198 HydrophobicContact CD1-CG1 4.18Å; L195-I198 CarbonylContact O-C 3.58Å; L195-I198 WeakPolarHBondContact O-CA 3.43Å; L195-I198 WeakPolarHBondContact O-CB 3.32Å; L195-I198 PolarHBondContact O-N 2.91Å; L195-A199 PolarHBondContact O-N 3.25Å
196E98.4Very high97.6Very high172 Ų17263.4 Ų63.480%0.80435%0.345SS*.Hα-helixtrans-46.1-51.6-169.2-175.9-179.1173.100113.9A194 I198 A199 A200A194-E196 PolarHBondContact O-N 3.47Å; E196-I198 PolarHBondContact O-N 2.81Å; E196-A199 PolarHBondContact O-N 3.17Å; E196-A200 WeakPolarHBondContact O-CB 3.4Å; E196-A200 PolarHBondContact O-N 3.24Å
197K98.2Very high97.4Very high84 Ų8461.7 Ų61.737%0.36534%0.338SS..Hα-helixtrans-67.2-34.7179.1-68.4177.5174.2-176.50113.4F27 D29 L195 Y201F27-K197 WeakPolarHBondContact O-CD 3.35Å; F27-K197 PolarHBondContact O-NZ 2.9Å; D29-K197 HydrophobicContact CB-CD 4.49Å; L195-K197 VanDerWaalsContact C-N 3.34Å; L195-K197 PolarHBondContact O-N 3.04Å; L195-K197 VanDerWaalsContact O-N 3.13Å; K197-Y201 WeakPolarHBondContact O-CB 3.32Å; K197-Y201 PolarHBondContact O-N 2.91Å
198I98.6Very high96.9Very high0 Ų061 Ų610%033%0.327CS..Hα-helixtrans-71-45.3175.8-62-55.3000110.4L23 F27 F162 F192 L195 E196 A200 Y201 I202L23-I198 HydrophobicContact CB-CD1 4.26Å; L23-I198 HydrophobicContact CD2-CD1 4.08Å; L23-I198 HydrophobicContact CD2-CG2 4.37Å; L23-I198 WeakPolarHBondContact O-CD1 3.37Å; F27-I198 HydrophobicContact CB-CD1 3.9Å; F27-I198 HydrophobicContact CB-CG1 4.49Å; F27-I198 HydrophobicContact CD2-CG1 4.21Å; F162-I198 HydrophobicContact CE1-CD1 4.09Å; F192-I198 HydrophobicContact CD1-CG2 4.07Å; F192-I198 HydrophobicContact CE1-CD1 4.39Å; F192-I198 HydrophobicContact CE1-CG1 4.22Å; F192-I198 HydrophobicContact CE1-CG2 3.86Å; F192-I198 HydrophobicContact CZ-CD1 4.41Å; F192-I198 HydrophobicContact CZ-CG1 4.4Å; L195-I198 HydrophobicContact CB-CB 4.03Å; L195-I198 HydrophobicContact CB-CG1 3.92Å; L195-I198 HydrophobicContact CD1-CG1 4.18Å; L195-I198 CarbonylContact O-C 3.58Å; L195-I198 WeakPolarHBondContact O-CA 3.43Å; L195-I198 WeakPolarHBondContact O-CB 3.32Å; L195-I198 PolarHBondContact O-N 2.91Å; E196-I198 PolarHBondContact O-N 2.81Å; I198-A200 VanDerWaalsContact C-N 3.31Å; I198-A200 PolarHBondContact O-N 2.94Å; I198-Y201 PolarHBondContact O-N 3Å; I198-I202 HydrophobicContact CG2-CD1 3.61Å; I198-I202 HydrophobicContact CG2-CG1 4.18Å; I198-I202 WeakPolarHBondContact O-CB 3.5Å; I198-I202 VanDerWaalsContact O-CG1 3.28Å; I198-I202 WeakPolarHBondContact O-CG1 3.37Å; I198-I202 PolarHBondContact O-N 3.18Å
199A98.4Very high96.6Very high25 Ų2566.4 Ų66.421%0.20735%0.351CS..Hα-helixtrans-58.1-45.1176.700000111.1E193 L195 E196 Q203E193-A199 WeakPolarHBondContact O-CB 3.35Å; L195-A199 PolarHBondContact O-N 3.25Å; E196-A199 PolarHBondContact O-N 3.17Å; A199-Q203 WeakPolarHBondContact O-CG 3.2Å; A199-Q203 PolarHBondContact O-N 3.05Å
200A98.2Very high96.4Very high61 Ų6168 Ų6850%0.50436%0.359SS..Hα-helixtrans-62-46.7175.200000111.7E196 I198 Q203 S204E196-A200 WeakPolarHBondContact O-CB 3.4Å; E196-A200 PolarHBondContact O-N 3.24Å; I198-A200 VanDerWaalsContact C-N 3.31Å; I198-A200 PolarHBondContact O-N 2.94Å; A200-Q203 PolarHBondContact O-N 3.22Å; A200-S204 PolarHBondContact O-N 3.26Å
201Y97.7Very high96.3Very high5 Ų565.1 Ų65.12%0.0234%0.339CS..Hα-helixtrans-62.9-45.1178.7176.2-118.8000112.4L23 E26 K197 I198 Q203 S204 Q206 F207L23-Y201 HydrophobicContact CD2-CD1 3.81Å; L23-Y201 HydrophobicContact CD2-CE1 3.93Å; E26-Y201 HydrophobicContact CB-CD1 4.36Å; E26-Y201 HydrophobicContact CB-CD2 4.34Å; E26-Y201 HydrophobicContact CB-CG 4.04Å; E26-Y201 HydrophobicContact CG-CD1 3.94Å; E26-Y201 HydrophobicContact CG-CD2 3.45Å; E26-Y201 VanDerWaalsContact CG-CD2 3.45Å; E26-Y201 HydrophobicContact CG-CE1 4.12Å; E26-Y201 HydrophobicContact CG-CE2 3.68Å; E26-Y201 HydrophobicContact CG-CG 3.58Å; K197-Y201 WeakPolarHBondContact O-CB 3.32Å; K197-Y201 PolarHBondContact O-N 2.91Å; I198-Y201 PolarHBondContact O-N 3Å; Y201-Q203 PolarHBondContact O-N 3.02Å; Y201-S204 WeakPolarHBondContact O-CB 3.26Å; Y201-S204 PolarHBondContact O-N 3.29Å; Y201-S204 PolarHBondContact O-OG 2.98Å; Y201-Q206 HydrophobicContact CE2-CB 3.9Å; Y201-Q206 PolarHBondContact OH-O 3.45Å; Y201-F207 AromaticContact CD1-CD2 3.89Å; Y201-F207 HydrophobicContact CD1-CD2 3.89Å; Y201-F207 AromaticContact CE1-CD2 3.65Å; Y201-F207 HydrophobicContact CE1-CD2 3.65Å; Y201-F207 HydrophobicContact CE1-CE2 4.32Å; Y201-F207 WeakPolarHBondContact O-CB 3.46Å
202I96.6Very high96.3Very high48 Ų4861.2 Ų61.225%0.24632%0.324CS..Hα-helixtrans-57.7-32.5178-72.1171000111.9E193 I198 S204 F207E193-I202 HydrophobicContact CB-CD1 4.44Å; E193-I202 HydrophobicContact CG-CD1 4.09Å; I198-I202 HydrophobicContact CG2-CD1 3.61Å; I198-I202 HydrophobicContact CG2-CG1 4.18Å; I198-I202 WeakPolarHBondContact O-CB 3.5Å; I198-I202 VanDerWaalsContact O-CG1 3.28Å; I198-I202 WeakPolarHBondContact O-CG1 3.37Å; I198-I202 PolarHBondContact O-N 3.18Å; I202-S204 VanDerWaalsContact C-N 3.34Å; I202-F207 HydrophobicContact CB-CD2 4.49Å; I202-F207 HydrophobicContact CG1-CD2 4.08Å; I202-F207 HydrophobicContact CG1-CE2 3.75Å; I202-F207 HydrophobicContact CG1-CZ 4Å; I202-F207 HydrophobicContact CG2-CD1 4.4Å; I202-F207 HydrophobicContact CG2-CE1 4.25Å; I202-F207 HydrophobicContact CG2-CZ 4.49Å
203Q96.3Very high96.2Very high164 Ų16461.4 Ų61.477%0.76633%0.325SS*.THydrogen-bonded Turntrans-84.6-7.7178.6-67.5173.931.700113.6A199 A200 Y201A199-Q203 WeakPolarHBondContact O-CG 3.2Å; A199-Q203 PolarHBondContact O-N 3.05Å; A200-Q203 PolarHBondContact O-N 3.22Å; Y201-Q203 PolarHBondContact O-N 3.02Å
204S95.7Very high96.1Very high42 Ų4259.5 Ų59.529%0.29432%0.316SS..SBendtrans-85.5157.8-178.280.20000112.7A200 Y201 I202 Q206 F207A200-S204 PolarHBondContact O-N 3.26Å; Y201-S204 WeakPolarHBondContact O-CB 3.26Å; Y201-S204 PolarHBondContact O-N 3.29Å; Y201-S204 PolarHBondContact O-OG 2.98Å; I202-S204 VanDerWaalsContact C-N 3.34Å; S204-Q206 PolarHBondContact O-N 3.05Å; S204-Q206 VanDerWaalsContact O-N 3.08Å; S204-Q206 PolarHBondContact OG-N 2.92Å; S204-F207 WeakPolarHBondContact O-CB 3.3Å; S204-F207 PolarHBondContact O-N 2.98Å; S204-F207 VanDerWaalsContact O-N 3.15Å
205D93Very high96Very high177 Ų17759 Ų5995%0.94730%0.3SS*.THydrogen-bonded Turntrans-66.2-8.4173.5-61.3-32.1000113.4
206Q91Very high95.8Very high107 Ų10759.9 Ų59.950%0.530%0.304SS..THydrogen-bonded Turntrans-86.1-11.9177.7-55.2-171.528.700112.4Y201 S204 F208Y201-Q206 HydrophobicContact CE2-CB 3.9Å; Y201-Q206 PolarHBondContact OH-O 3.45Å; S204-Q206 PolarHBondContact O-N 3.05Å; S204-Q206 VanDerWaalsContact O-N 3.08Å; S204-Q206 PolarHBondContact OG-N 2.92Å; Q206-F208 WeakPolarHBondContact O-CD2 3.17Å; Q206-F208 PolarHBondContact O-N 3.03Å
207F93.6Very high95.8Very high39 Ų3951.8 Ų51.817%0.17127%0.267CS..  trans-71.6114.4-175-176.5-117.3000113.4H19 L23 Y201 I202 S204 K209H19-F207 AromaticContact CE1-CE2 3.5Å; H19-F207 VanDerWaalsContact CE1-CE2 3.5Å; H19-F207 WeakPolarHBondContact CE1-CE2 3.48Å; H19-F207 AromaticContact CE1-CZ 3.92Å; H19-F207 AromaticContact NE2-CE2 4Å; L23-F207 HydrophobicContact CD2-CE2 4.48Å; Y201-F207 AromaticContact CD1-CD2 3.89Å; Y201-F207 HydrophobicContact CD1-CD2 3.89Å; Y201-F207 AromaticContact CE1-CD2 3.65Å; Y201-F207 HydrophobicContact CE1-CD2 3.65Å; Y201-F207 HydrophobicContact CE1-CE2 4.32Å; Y201-F207 WeakPolarHBondContact O-CB 3.46Å; I202-F207 HydrophobicContact CB-CD2 4.49Å; I202-F207 HydrophobicContact CG1-CD2 4.08Å; I202-F207 HydrophobicContact CG1-CE2 3.75Å; I202-F207 HydrophobicContact CG1-CZ 4Å; I202-F207 HydrophobicContact CG2-CD1 4.4Å; I202-F207 HydrophobicContact CG2-CE1 4.25Å; I202-F207 HydrophobicContact CG2-CZ 4.49Å; S204-F207 WeakPolarHBondContact O-CB 3.3Å; S204-F207 PolarHBondContact O-N 2.98Å; S204-F207 VanDerWaalsContact O-N 3.15Å; F207-K209 HydrophobicContact CD1-CB 4.02Å; F207-K209 HydrophobicContact CE1-CB 3.69Å; F207-K209 HydrophobicContact CE1-CG 4.1Å; F207-K209 PolarHBondContact O-N 3.28Å; F207-K209 VanDerWaalsContact O-N 3.13Å
208F88.7Confident95.8Very high27 Ų2753.1 Ų53.112%0.11827%0.274CS..  trans-82.786.3172.8-84.8-96.5000112.2D13 R15 H19 R36 Q206D13-F208 WeakPolarHBondContact OD1-CE1 3.18Å; D13-F208 VanDerWaalsContact OD1-CZ 3.26Å; D13-F208 WeakPolarHBondContact OD1-CZ 3.14Å; R15-F208 HydrophobicContact CB-CB 4.29Å; H19-F208 PolarHBondContact CE1-O 3.03Å; H19-F208 VanDerWaalsContact CE1-O 3.28Å; H19-F208 PolarHBondContact ND1-O 3.25Å; R36-F208 VanDerWaalsContact CZ-CZ 3.5Å; R36-F208 VanDerWaalsContact NH1-CE2 3.31Å; R36-F208 VanDerWaalsContact NH1-CZ 3.32Å; R36-F208 VanDerWaalsContact NH2-CE2 3.33Å; Q206-F208 WeakPolarHBondContact O-CD2 3.17Å; Q206-F208 PolarHBondContact O-N 3.03Å
209K93.2Very high95.7Very high115 Ų11555.5 Ų55.550%0.528%0.283SS..  trans-71.8-47.9168.7-166175.4-174.91770111.8R15 F207R15-K209 WeakPolarHBondContact CD-O 3.32Å; R15-K209 PolarHBondContact NH1-O 3.27Å; F207-K209 HydrophobicContact CD1-CB 4.02Å; F207-K209 HydrophobicContact CE1-CB 3.69Å; F207-K209 HydrophobicContact CE1-CG 4.1Å; F207-K209 PolarHBondContact O-N 3.28Å; F207-K209 VanDerWaalsContact O-N 3.13Å
210M94.9Very high95.6Very high36 Ų3654.6 Ų54.618%0.17728%0.276CS..SBendtrans-146.5157.9-174.6-73.6-72.9-70.300109.8I173 I212 K222 V224I173-M210 HydrophobicContact CG2-SD 4.49Å; M210-I212 HydrophobicContact SD-CB 4.24Å; M210-I212 HydrophobicContact SD-CD1 3.58Å; M210-I212 VanDerWaalsContact SD-CD1 3.58Å; M210-I212 HydrophobicContact SD-CG1 3.54Å; M210-I212 VanDerWaalsContact SD-CG1 3.54Å; M210-K222 VanDerWaalsContact CE-O 3.27Å; M210-K222 WeakPolarHBondContact CE-O 3.38Å; M210-V224 HydrophobicContact CB-CG2 3.89Å; M210-V224 HydrophobicContact CE-CG2 4.47Å; M210-V224 HydrophobicContact CG-CG2 3.54Å
211P96.7Very high95.5Very high20 Ų2053.7 Ų53.713%0.1326%0.263CS..  cis-72.1143.2-4.331.8-36.8000112.4I14 R15 N213 G220I14-P211 HydrophobicContact CB-CG 4.08Å; I14-P211 HydrophobicContact CG2-CG 3.77Å; R15-P211 VanDerWaalsContact CB-O 3.31Å; R15-P211 WeakPolarHBondContact CB-O 3.5Å; R15-P211 PolarHBondContact N-O 3.39Å; P211-N213 WeakPolarHBondContact CB-O 3.4Å; P211-G220 CarbonylContact C-O 3.44Å; P211-G220 WeakPolarHBondContact CA-O 3.32Å; P211-G220 VanDerWaalsContact CB-O 3.28Å; P211-G220 WeakPolarHBondContact CB-O 3.47Å
212I97.3Very high95.2Very high1 Ų160.4 Ų60.41%0.00529%0.292CS..SBendtrans-66.1-46.6173-72.5159.1000110.4G16 Q170 I173 M210 W219 G220G16-I212 VanDerWaalsContact CA-O 3.26Å; G16-I212 WeakPolarHBondContact CA-O 3.36Å; G16-I212 PolarHBondContact N-O 3.22Å; Q170-I212 HydrophobicContact CG-CD1 4.14Å; Q170-I212 HydrophobicContact CG-CG1 4.24Å; Q170-I212 HydrophobicContact CG-CG2 4.03Å; I173-I212 HydrophobicContact CB-CD1 4.31Å; I173-I212 HydrophobicContact CD1-CD1 4.12Å; I173-I212 HydrophobicContact CG2-CD1 4.04Å; M210-I212 HydrophobicContact SD-CB 4.24Å; M210-I212 HydrophobicContact SD-CD1 3.58Å; M210-I212 VanDerWaalsContact SD-CD1 3.58Å; M210-I212 HydrophobicContact SD-CG1 3.54Å; M210-I212 VanDerWaalsContact SD-CG1 3.54Å; I212-W219 HydrophobicContact CD1-CH2 3.54Å; I212-W219 HydrophobicContact CD1-CZ3 3.62Å; I212-G220 PolarHBondContact N-O 3.2Å
213N97.7Very high94.6Very high4 Ų462.7 Ų62.72%0.02131%0.31CS..SBendtrans-112.7166.4-174.6-69.2-49.6000111.5I116 C119 Y120 P211 A217 W219 G220I116-N213 WeakPolarHBondContact CD1-OD1 3.27Å; C119-N213 WeakPolarHBondContact CB-ND2 3.42Å; Y120-N213 HydrophobicContact CE2-CB 3.98Å; Y120-N213 WeakPolarHBondContact CE2-OD1 3.33Å; P211-N213 WeakPolarHBondContact CB-O 3.4Å; N213-A217 HydrophobicContact CB-CB 3.48Å; N213-A217 VanDerWaalsContact CB-CB 3.48Å; N213-W219 PolarHBondContact ND2-O 3.04Å; N213-G220 PolarHBondContact N-O 3.22Å
214N96.3Very high93.5Very high11 Ų1159.7 Ų59.76%0.05930%0.303CS..  trans-83167.6177.4-155.3-28.4000110.4I14 C39 Y120 M216 A217 N221I14-N214 HydrophobicContact CD1-CB 3.84Å; C39-N214 WeakPolarHBondContact CB-OD1 3.48Å; Y120-N214 PolarHBondContact OH-N 3.5Å; N214-M216 HydrophobicContact CB-CE 3.37Å; N214-M216 VanDerWaalsContact CG-CE 3.46Å; N214-M216 PolarHBondContact O-N 3.31Å; N214-A217 WeakPolarHBondContact O-CB 3.39Å; N214-A217 PolarHBondContact O-N 3.47Å; N214-N221 WeakPolarHBondContact O-CB 3.45Å
215K96.4Very high91.2Very high64 Ų6467 Ų6728%0.27835%0.352SS..THydrogen-bonded Turntrans-53.9-30.5-164.6-69.3178.7177.9176.50115.4C39 G40 E41 Y45 A217 N221C39-K215 WeakPolarHBondContact O-CE 3.43Å; C39-K215 PolarHBondContact O-NZ 3.09Å; G40-K215 VanDerWaalsContact O-CD 3.25Å; G40-K215 WeakPolarHBondContact O-CD 3.15Å; E41-K215 WeakPolarHBondContact OE1-CE 3.38Å; E41-K215 IonicContact OE1-NZ 3.51Å; E41-K215 PolarHBondContact OE1-NZ 2.92Å; E41-K215 IonicContact OE2-NZ 2.8Å; Y45-K215 HydrophobicContact CD1-CB 4.01Å; Y45-K215 HydrophobicContact CE1-CB 3.89Å; K215-A217 VanDerWaalsContact C-N 3.31Å; K215-A217 PolarHBondContact O-N 2.84Å; K215-N221 PolarHBondContact O-ND2 3.38Å
216M95.8Very high91.1Very high56 Ų5661.5 Ų61.528%0.27632%0.322SS..THydrogen-bonded Turntrans-72.5-16179.6-54.666.242.200114.5C39 Y45 Y120 N214C39-M216 VanDerWaalsContact SG-SD 3.69Å; Y45-M216 HydrophobicContact CD1-CG 3.78Å; Y45-M216 HydrophobicContact CD1-SD 3.42Å; Y45-M216 WeakPolarHBondContact CD1-SD 3.35Å; Y45-M216 HydrophobicContact CD2-CG 3.79Å; Y45-M216 HydrophobicContact CD2-SD 4.32Å; Y45-M216 HydrophobicContact CE1-CG 3.92Å; Y45-M216 HydrophobicContact CE1-SD 3.99Å; Y45-M216 HydrophobicContact CE2-CG 3.93Å; Y45-M216 HydrophobicContact CG-CG 3.69Å; Y45-M216 HydrophobicContact CG-SD 3.59Å; Y45-M216 VanDerWaalsContact CG-SD 3.59Å; Y120-M216 HydrophobicContact CE1-CB 4.41Å; Y120-M216 HydrophobicContact CE1-CE 4.39Å; N214-M216 HydrophobicContact CB-CE 3.37Å; N214-M216 VanDerWaalsContact CG-CE 3.46Å; N214-M216 PolarHBondContact O-N 3.31Å
217A97.5Very high91.1Very high2 Ų259.1 Ų59.12%0.01731%0.313CS..SBendtrans-70.8147.817800000111.2C119 Y120 N213 N214 K215 W219 N221C119-A217 CarbonylContact O-C 3.56Å; Y120-A217 HydrophobicContact CD1-CB 3.94Å; Y120-A217 HydrophobicContact CD2-CB 4.07Å; Y120-A217 HydrophobicContact CE1-CB 3.78Å; Y120-A217 HydrophobicContact CE2-CB 3.92Å; Y120-A217 HydrophobicContact CG-CB 4.1Å; N213-A217 HydrophobicContact CB-CB 3.48Å; N213-A217 VanDerWaalsContact CB-CB 3.48Å; N214-A217 WeakPolarHBondContact O-CB 3.39Å; N214-A217 PolarHBondContact O-N 3.47Å; K215-A217 VanDerWaalsContact C-N 3.31Å; K215-A217 PolarHBondContact O-N 2.84Å; A217-W219 VanDerWaalsContact C-N 3.29Å; A217-N221 HydrophobicContact CB-CB 4.33Å; A217-N221 VanDerWaalsContact O-CG 3.26Å; A217-N221 PolarHBondContact O-ND2 3Å
218Q97.4Very high90.9Very high112 Ų11260.2 Ų60.252%0.52332%0.321SS..SBendtrans-74.1-22.2173.4-56.8-53.4-57.100112.5C119 S121 H124C119-Q218 PolarHBondContact O-N 2.84Å; S121-Q218 WeakPolarHBondContact O-CG 3.41Å; H124-Q218 HydrophobicContact CB-CB 3.69Å; H124-Q218 HydrophobicContact CB-CG 3.93Å
219W97.3Very high91.1Very high49 Ų4962.2 Ų62.219%0.18633%0.332CS..SBendtrans-138.1146.4178.5-175.791.8000112.6I173 F174 I212 N213 A217 N221I173-W219 HydrophobicContact CB-CH2 4.32Å; I173-W219 HydrophobicContact CG2-CH2 3.84Å; I173-W219 HydrophobicContact CG2-CZ2 3.91Å; F174-W219 HydrophobicContact CB-CH2 3.83Å; F174-W219 HydrophobicContact CB-CZ2 3.98Å; F174-W219 HydrophobicContact CB-CZ3 4.42Å; F174-W219 AromaticContact CD2-CD2 3.57Å; F174-W219 HydrophobicContact CD2-CD2 3.57Å; F174-W219 AromaticContact CD2-CE2 3.48Å; F174-W219 VanDerWaalsContact CD2-CE2 3.48Å; F174-W219 AromaticContact CD2-CE3 3.82Å; F174-W219 HydrophobicContact CD2-CE3 3.82Å; F174-W219 HydrophobicContact CD2-CG 4.14Å; F174-W219 AromaticContact CD2-CH2 3.87Å; F174-W219 HydrophobicContact CD2-CH2 3.87Å; F174-W219 AromaticContact CD2-CZ2 3.66Å; F174-W219 HydrophobicContact CD2-CZ2 3.66Å; F174-W219 AromaticContact CD2-CZ3 3.96Å; F174-W219 HydrophobicContact CD2-CZ3 3.96Å; F174-W219 AromaticContact CD2-NE1 3.94Å; F174-W219 AromaticContact CE2-CD2 3.89Å; F174-W219 HydrophobicContact CE2-CD2 3.89Å; F174-W219 HydrophobicContact CE2-CE3 4.34Å; F174-W219 AromaticContact CE2-CG 3.98Å; F174-W219 HydrophobicContact CE2-CG 3.98Å; F174-W219 HydrophobicContact CG-CH2 4.38Å; F174-W219 HydrophobicContact CG-CZ2 4.31Å; I212-W219 HydrophobicContact CD1-CH2 3.54Å; I212-W219 HydrophobicContact CD1-CZ3 3.62Å; N213-W219 PolarHBondContact ND2-O 3.04Å; A217-W219 VanDerWaalsContact C-N 3.29Å; W219-N221 VanDerWaalsContact C-N 3.3Å; W219-N221 PolarHBondContact O-N 2.77Å
220G96.4Very high90.9Very high6 Ų658.9 Ų58.96%0.06232%0.322CS..SBendtrans75.714.9175.700000114.3P211 I212 N213P211-G220 CarbonylContact C-O 3.44Å; P211-G220 WeakPolarHBondContact CA-O 3.32Å; P211-G220 VanDerWaalsContact CB-O 3.28Å; P211-G220 WeakPolarHBondContact CB-O 3.47Å; I212-G220 PolarHBondContact N-O 3.2Å; N213-G220 PolarHBondContact N-O 3.22Å
221N95.6Very high90.7Very high42 Ų4260.4 Ų60.423%0.22533%0.332CS..  trans-93.8-1.2-174.568-22.2000114.9N214 K215 A217 W219N214-N221 WeakPolarHBondContact O-CB 3.45Å; K215-N221 PolarHBondContact O-ND2 3.38Å; A217-N221 HydrophobicContact CB-CB 4.33Å; A217-N221 VanDerWaalsContact O-CG 3.26Å; A217-N221 PolarHBondContact O-ND2 3Å; W219-N221 VanDerWaalsContact C-N 3.3Å; W219-N221 PolarHBondContact O-N 2.77Å
222K92Very high90.2Very high147 Ų14763.3 Ų63.364%0.63935%0.346SS*.SBendtrans-114.4147.1-178.8-66.6178.4-173.8-1800111.2M210M210-K222 VanDerWaalsContact CE-O 3.27Å; M210-K222 WeakPolarHBondContact CE-O 3.38Å
223P84.8Confident89.7Confident96 Ų9668.1 Ų68.162%0.62337%0.372SS*.  trans-62.7158166.929.1-33.7000110.1
224V73.3Confident89Confident101 Ų10173.4 Ų73.461%0.61240%0.401SS*.  trans-88.7124.4169.5175.30000106.6M210M210-V224 HydrophobicContact CB-CG2 3.89Å; M210-V224 HydrophobicContact CE-CG2 4.47Å; M210-V224 HydrophobicContact CG-CG2 3.54Å
225C45.5Very low88.4Confident195 Ų19579.1 Ų79.1100%1.31843%0.433SS*.  trans-68.50170.2-61.20000111

Retrieved 225 of 225 residues in 1284.5 ms (Link to these results)

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