A0A5K4F8U1_SCHMA Loading...

Glutathione S-transferase class-mu 26 kDa isozyme

Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles. GST isoenzymes appear to play a central role in the parasite detoxification system. Other functions are also suspected including a role in increasing the solubility of haematin in the parasite gut.

AlphaFold DB , UniProt , Accession A0A5K4F8U1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 218 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
1M82.5Confident96.9Very high206 Ų20645.5 Ų45.5100%1.01522%0.218SC*.  0135.10-163.1175.9-68.600105.8
2A94.8Very high97Very high30 Ų3041.9 Ų41.925%0.24820%0.202CC..  trans-61.5139.8178.400000109.6A27 E29A2-A27 HydrophobicContact CB-CB 4.37Å; A2-E29 HydrophobicContact CB-CG 4.3Å
3P98.1Very high97.1Very high11 Ų1143.1 Ų43.17%0.07121%0.21CC..  trans-56.1146.6173.6-2836.5000112.5A27 Y28 E29 Y58 I59 D60P3-A27 VanDerWaalsContact CD-O 3.29Å; P3-A27 WeakPolarHBondContact CD-O 3.48Å; P3-Y28 WeakPolarHBondContact O-CA 3.42Å; P3-E29 PolarHBondContact O-N 2.9Å; P3-Y58 HydrophobicContact CB-CE1 3.95Å; P3-Y58 HydrophobicContact CB-CE2 3.64Å; P3-Y58 WeakPolarHBondContact CB-OH 3.34Å; P3-Y58 VanDerWaalsContact CG-OH 3.27Å; P3-Y58 WeakPolarHBondContact CG-OH 3.39Å; P3-I59 CarbonylContact C-O 3.41Å; P3-I59 VanDerWaalsContact CA-O 3.24Å; P3-I59 WeakPolarHBondContact CA-O 3.42Å; P3-D60 HydrophobicContact CB-CB 4Å; P3-D60 HydrophobicContact CG-CB 3.98Å
4K98.6Very high97.3Very high86 Ų8640 Ų4037%0.37420%0.195SC..EExtended strand (participates in β ladder)trans-104.6120.3179.9-67.7-175.8179-177.10111.2E29 Y58 I59K4-E29 CarbonylContact C-O 3.54Å; K4-E29 WeakPolarHBondContact CA-O 3.27Å; K4-E29 WeakPolarHBondContact CE-OE2 3.38Å; K4-E29 HydrophobicContact CG-CB 4.29Å; K4-Y58 CarbonylContact O-C 3.55Å; K4-Y58 VanDerWaalsContact O-CA 3.28Å; K4-Y58 WeakPolarHBondContact O-CA 3.08Å; K4-I59 HydrophobicContact CB-CB 4.48Å; K4-I59 PolarHBondContact N-O 2.89Å; K4-I59 PolarHBondContact O-N 2.97Å
5L98.9Very high97.4Very high0 Ų037.5 Ų37.50%018%0.183CC..EExtended strand (participates in β ladder)trans-101111173-177.964000109.7V14 T17 R18 L21 Y28 E29 E30 R31 Y58 I71L5-V14 HydrophobicContact CD1-CG2 3.62Å; L5-V14 HydrophobicContact CD2-CG2 3.76Å; L5-V14 HydrophobicContact CG-CG2 3.92Å; L5-T17 HydrophobicContact CD1-CG2 4.34Å; L5-T17 HydrophobicContact CD2-CG2 4.29Å; L5-R18 HydrophobicContact CD2-CG 4.14Å; L5-L21 HydrophobicContact CD2-CD1 4.08Å; L5-Y28 HydrophobicContact CB-CD2 4.27Å; L5-Y28 HydrophobicContact CD2-CD2 4.35Å; L5-Y28 HydrophobicContact CD2-CE2 4.24Å; L5-E29 PolarHBondContact N-O 3.05Å; L5-E30 HydrophobicContact CB-CG 4.49Å; L5-E30 CarbonylContact O-C 3.42Å; L5-E30 VanDerWaalsContact O-CA 3.26Å; L5-E30 WeakPolarHBondContact O-CA 3.19Å; L5-R31 PolarHBondContact O-N 3.48Å; L5-Y58 HydrophobicContact CB-CD2 4.23Å; L5-Y58 HydrophobicContact CD1-CD2 4.04Å; L5-I71 HydrophobicContact CD1-CG2 4.32Å
6G98.8Very high97.5Very high0 Ų035.9 Ų35.90%018%0.176CC..EExtended strand (participates in β ladder)trans-99124.2179.700000112.3R31 L55 P56 Y57G6-R31 WeakPolarHBondContact CA-O 3.43Å; G6-L55 WeakPolarHBondContact O-CD2 3.33Å; G6-P56 WeakPolarHBondContact O-CA 3.45Å; G6-P56 WeakPolarHBondContact O-CB 3.36Å; G6-Y57 VanDerWaalsContact CA-CZ 3.49Å; G6-Y57 PolarHBondContact N-O 3Å; G6-Y57 PolarHBondContact O-N 3.28Å
7Y98.9Very high97.6Very high14 Ų1433.9 Ų33.96%0.05517%0.166CC..EExtended strand (participates in β ladder)trans-158.7169.1175.2-159.4-125.2000112.5I10 L13 V14 R31 L32 Y33 L55 P56Y7-I10 HydrophobicContact CD1-CG1 4.16Å; Y7-I10 HydrophobicContact CE1-CD1 3.92Å; Y7-I10 HydrophobicContact CE1-CG1 3.58Å; Y7-L13 HydrophobicContact CE2-CB 4.47Å; Y7-L13 WeakPolarHBondContact OH-CB 3.4Å; Y7-L13 WeakPolarHBondContact OH-CG 3.45Å; Y7-L13 PolarHBondContact OH-N 3.21Å; Y7-V14 HydrophobicContact CD1-CB 3.71Å; Y7-V14 HydrophobicContact CD1-CG1 3.24Å; Y7-V14 HydrophobicContact CD2-CB 4.45Å; Y7-V14 HydrophobicContact CE1-CB 4.1Å; Y7-V14 HydrophobicContact CE1-CG1 3.9Å; Y7-V14 HydrophobicContact CG-CB 3.88Å; Y7-V14 HydrophobicContact CG-CG1 3.72Å; Y7-R31 PolarHBondContact N-O 3.27Å; Y7-R31 VanDerWaalsContact N-O 3.08Å; Y7-L32 WeakPolarHBondContact O-CA 3.28Å; Y7-Y33 WeakPolarHBondContact O-CD2 3.31Å; Y7-Y33 PolarHBondContact O-N 2.79Å; Y7-L55 HydrophobicContact CD2-CB 3.9Å; Y7-L55 HydrophobicContact CE2-CB 4.17Å; Y7-P56 HydrophobicContact CD2-CB 3.61Å; Y7-P56 HydrophobicContact CD2-CG 4.21Å; Y7-P56 HydrophobicContact CE2-CB 4.25Å; Y7-P56 HydrophobicContact CE2-CG 4.36Å; Y7-P56 HydrophobicContact CG-CB 4.22Å
8W98.8Very high97.6Very high62 Ų6232 Ų3224%0.23516%0.157CC..EExtended strand (participates in β ladder)trans-60.3149.9164.2-59114.9000110.4I10 Y33 W41 L55 W206W8-I10 HydrophobicContact CB-CD1 4.02Å; W8-I10 HydrophobicContact CB-CG1 3.93Å; W8-I10 HydrophobicContact CB-CG2 4.13Å; W8-I10 PolarHBondContact O-N 2.75Å; W8-Y33 WeakPolarHBondContact CA-O 3.41Å; W8-Y33 HydrophobicContact CE3-CG 4.42Å; W8-Y33 VanDerWaalsContact CZ3-CB 3.41Å; W8-Y33 HydrophobicContact CZ3-CG 4.27Å; W8-W41 HydrophobicContact CH2-CB 3.79Å; W8-W41 AromaticContact CH2-CD1 3.88Å; W8-W41 HydrophobicContact CH2-CG 4.08Å; W8-W41 HydrophobicContact CZ2-CB 4.44Å; W8-W41 AromaticContact CZ2-CD1 3.73Å; W8-W41 HydrophobicContact CZ2-CG 4.25Å; W8-W41 HydrophobicContact CZ3-CB 4.45Å; W8-L55 HydrophobicContact CD2-CD1 4.02Å; W8-L55 VanDerWaalsContact CE2-CD1 3.44Å; W8-L55 HydrophobicContact CG-CD1 4.4Å; W8-L55 HydrophobicContact CH2-CD1 4.29Å; W8-L55 HydrophobicContact CZ2-CD1 3.6Å; W8-W206 HydrophobicContact CB-CH2 4.14Å; W8-W206 HydrophobicContact CB-CZ3 4.05Å; W8-W206 HydrophobicContact CD2-CZ3 4.42Å; W8-W206 HydrophobicContact CE3-CZ3 4.12Å; W8-W206 HydrophobicContact CG-CZ3 4.41Å
9K98.7Very high97.7Very high86 Ų8630.3 Ų30.337%0.37415%0.149SC..SBendtrans-74.557.5173.8-162.5179.1-172.1178.20112.7L32 Y33 D34 I199 W206K9-L32 HydrophobicContact CB-CB 4.24Å; K9-L32 HydrophobicContact CG-CB 4.41Å; K9-L32 HydrophobicContact CG-CD1 4.16Å; K9-Y33 PolarHBondContact N-O 3.49Å; K9-D34 WeakPolarHBondContact CD-OD1 3.42Å; K9-D34 IonicContact NZ-OD1 2.92Å; K9-I199 HydrophobicContact CG-CD1 3.84Å; K9-I199 HydrophobicContact CG-CG1 4.28Å; K9-W206 HydrophobicContact CB-CH2 4.23Å; K9-W206 HydrophobicContact CB-CZ2 4.13Å; K9-W206 WeakPolarHBondContact O-CZ2 3.28Å
10I98.8Very high97.8Very high4 Ų428.8 Ų28.82%0.02114%0.141CC..SBendtrans-134.6167.5179.473.4-179.2000108.2Y7 W8 R18 P202 W206Y7-I10 HydrophobicContact CD1-CG1 4.16Å; Y7-I10 HydrophobicContact CE1-CD1 3.92Å; Y7-I10 HydrophobicContact CE1-CG1 3.58Å; W8-I10 HydrophobicContact CB-CD1 4.02Å; W8-I10 HydrophobicContact CB-CG1 3.93Å; W8-I10 HydrophobicContact CB-CG2 4.13Å; W8-I10 PolarHBondContact O-N 2.75Å; I10-R18 PolarHBondContact O-NH1 2.78Å; I10-R18 PolarHBondContact O-NH2 3.2Å; I10-P202 HydrophobicContact CB-CG 3.88Å; I10-P202 HydrophobicContact CG2-CG 3.44Å; I10-P202 VanDerWaalsContact CG2-CG 3.44Å; I10-W206 HydrophobicContact CG2-CD2 4.09Å; I10-W206 HydrophobicContact CG2-CE3 4.02Å; I10-W206 HydrophobicContact CG2-CH2 3.62Å; I10-W206 HydrophobicContact CG2-CZ2 3.67Å; I10-W206 HydrophobicContact CG2-CZ3 3.8Å
11K98.8Very high97.8Very high1 Ų127.4 Ų27.40%0.00413%0.134CC..SBendtrans-64.6-68.8166.4-74.3-175.2169166.40110.7V14 Q15 D160 Y198 I199 K200 P202 L203K11-V14 PolarHBondContact O-N 2.96Å; K11-Q15 HydrophobicContact CB-CB 3.89Å; K11-Q15 HydrophobicContact CB-CG 4.12Å; K11-Q15 HydrophobicContact CD-CG 4.27Å; K11-Q15 HydrophobicContact CG-CB 4.31Å; K11-Q15 HydrophobicContact CG-CG 3.98Å; K11-Q15 PolarHBondContact O-N 2.97Å; K11-D160 IonicContact NZ-OD2 3.82Å; K11-D160 PolarHBondContact NZ-OD2 3.17Å; K11-Y198 WeakPolarHBondContact CE-OH 3.3Å; K11-Y198 PolarHBondContact NZ-OH 3.13Å; K11-I199 VanDerWaalsContact CE-O 3.24Å; K11-I199 WeakPolarHBondContact CE-O 2.96Å; K11-I199 VanDerWaalsContact CG-O 3.22Å; K11-I199 WeakPolarHBondContact CG-O 3.42Å; K11-K200 VanDerWaalsContact CE-O 3.23Å; K11-K200 WeakPolarHBondContact CE-O 3.25Å; K11-K200 PolarHBondContact NZ-O 3.48Å; K11-P202 PolarHBondContact N-O 2.92Å; K11-L203 HydrophobicContact CD-CD2 3.89Å
12G98.5Very high98.6Very high3 Ų318.3 Ų18.33%0.0319%0.089CC..THydrogen-bonded Turntrans50.8-138.6172.800000113.8V14 L203G12-V14 VanDerWaalsContact C-N 3.32Å; G12-V14 PolarHBondContact O-N 3.24Å; G12-L203 WeakPolarHBondContact CA-O 3.44Å; G12-L203 PolarHBondContact N-O 2.93Å
13L98.7Very high98.8Very high57 Ų5720.4 Ų20.430%0.2989%0.091SC..THydrogen-bonded Turntrans-75.9-18.7-175.7-61.6174.1000113.8Y7 Y104Y7-L13 HydrophobicContact CE2-CB 4.47Å; Y7-L13 WeakPolarHBondContact OH-CB 3.4Å; Y7-L13 WeakPolarHBondContact OH-CG 3.45Å; Y7-L13 PolarHBondContact OH-N 3.21Å; L13-Y104 HydrophobicContact CD2-CE1 3.74Å
14V98.8Very high98.8Very high0 Ų022 Ų220%010%0.099CC..THydrogen-bonded Turntrans-100.3-11.9-167.388.90000112.9L5 Y7 K11 G12 T17 R18 P56L5-V14 HydrophobicContact CD1-CG2 3.62Å; L5-V14 HydrophobicContact CD2-CG2 3.76Å; L5-V14 HydrophobicContact CG-CG2 3.92Å; Y7-V14 HydrophobicContact CD1-CB 3.71Å; Y7-V14 HydrophobicContact CD1-CG1 3.24Å; Y7-V14 HydrophobicContact CD2-CB 4.45Å; Y7-V14 HydrophobicContact CE1-CB 4.1Å; Y7-V14 HydrophobicContact CE1-CG1 3.9Å; Y7-V14 HydrophobicContact CG-CB 3.88Å; Y7-V14 HydrophobicContact CG-CG1 3.72Å; K11-V14 PolarHBondContact O-N 2.96Å; G12-V14 VanDerWaalsContact C-N 3.32Å; G12-V14 PolarHBondContact O-N 3.24Å; V14-T17 WeakPolarHBondContact O-CA 3.37Å; V14-T17 VanDerWaalsContact O-CB 3.25Å; V14-T17 WeakPolarHBondContact O-CB 3.41Å; V14-T17 PolarHBondContact O-N 3.11Å; V14-R18 HydrophobicContact CG1-CG 4.41Å; V14-R18 PolarHBondContact O-N 2.86Å; V14-P56 HydrophobicContact CB-CB 4.35Å; V14-P56 HydrophobicContact CG2-CB 3.88Å; V14-P56 HydrophobicContact CG2-CG 4.26Å
15Q98.9Very high98.8Very high3 Ų321 Ų211%0.01411%0.113CC..Hα-helixtrans-57.1-41.7-177.3-170.164.317.100113.6K11 T17 R18 L19 D157 Y192K11-Q15 HydrophobicContact CB-CB 3.89Å; K11-Q15 HydrophobicContact CB-CG 4.12Å; K11-Q15 HydrophobicContact CD-CG 4.27Å; K11-Q15 HydrophobicContact CG-CB 4.31Å; K11-Q15 HydrophobicContact CG-CG 3.98Å; K11-Q15 PolarHBondContact O-N 2.97Å; Q15-T17 PolarHBondContact O-N 3.04Å; Q15-R18 PolarHBondContact O-N 3.22Å; Q15-L19 HydrophobicContact CG-CD1 4.35Å; Q15-L19 WeakPolarHBondContact O-CG 3.46Å; Q15-L19 PolarHBondContact O-N 3.22Å; Q15-D157 WeakPolarHBondContact CB-OD1 3.4Å; Q15-D157 WeakPolarHBondContact CG-OD1 3.48Å; Q15-Y192 PolarHBondContact NE2-OH 3.45Å
16P98.9Very high98.7Very high12 Ų1223.9 Ų23.98%0.07813%0.127CC..Hα-helixtrans-59.4-33.9172.1-25.836.2000113.5L20 L72 F153 M154 D157P16-L20 PolarHBondContact O-N 3.47Å; P16-L72 HydrophobicContact CB-CD2 4.26Å; P16-F153 HydrophobicContact CB-CB 4.46Å; P16-M154 HydrophobicContact CB-CB 4.49Å; P16-M154 HydrophobicContact CB-CG 3.89Å; P16-M154 HydrophobicContact CG-CG 4.27Å; P16-D157 HydrophobicContact CG-CB 3.89Å
17T98.9Very high98.7Very high1 Ų127.1 Ų27.11%0.00615%0.154CC..Hα-helixtrans-70.4-42.8178-55.20000111.6L5 V14 Q15 L19 L20 L21 I71 I75L5-T17 HydrophobicContact CD1-CG2 4.34Å; L5-T17 HydrophobicContact CD2-CG2 4.29Å; V14-T17 WeakPolarHBondContact O-CA 3.37Å; V14-T17 VanDerWaalsContact O-CB 3.25Å; V14-T17 WeakPolarHBondContact O-CB 3.41Å; V14-T17 PolarHBondContact O-N 3.11Å; Q15-T17 PolarHBondContact O-N 3.04Å; T17-L19 VanDerWaalsContact C-N 3.34Å; T17-L19 PolarHBondContact O-N 2.91Å; T17-L20 PolarHBondContact O-N 3.3Å; T17-L21 HydrophobicContact CG2-CD1 4.09Å; T17-L21 WeakPolarHBondContact O-CG 3.36Å; T17-L21 PolarHBondContact O-N 2.9Å; T17-I71 HydrophobicContact CG2-CG2 3.93Å; T17-I75 HydrophobicContact CG2-CD1 3.5Å
18R98.9Very high98.6Very high0 Ų028.2 Ų28.20%016%0.158CC..Hα-helixtrans-56.8-51.4172.6-64.6-179.8-177.5128.6-0110.2L5 I10 V14 Q15 L20 L21 E22 E30 Y192L5-R18 HydrophobicContact CD2-CG 4.14Å; I10-R18 PolarHBondContact O-NH1 2.78Å; I10-R18 PolarHBondContact O-NH2 3.2Å; V14-R18 HydrophobicContact CG1-CG 4.41Å; V14-R18 PolarHBondContact O-N 2.86Å; Q15-R18 PolarHBondContact O-N 3.22Å; R18-L20 VanDerWaalsContact C-N 3.29Å; R18-L20 PolarHBondContact O-N 2.8Å; R18-L21 PolarHBondContact O-N 3.06Å; R18-E22 WeakPolarHBondContact O-CB 3.47Å; R18-E22 WeakPolarHBondContact O-CG 3.4Å; R18-E22 PolarHBondContact O-N 3.49Å; R18-E30 IonicContact CZ-OE1 2.61Å; R18-E30 IonicContact NE-OE1 2.96Å; R18-E30 PolarHBondContact NE-OE1 3.13Å; R18-E30 IonicContact NE-OE2 2.71Å; R18-E30 PolarHBondContact NE-OE2 2.99Å; R18-E30 IonicContact NH2-OE1 3.21Å; R18-E30 PolarHBondContact NH2-OE1 2.83Å; R18-Y192 VanDerWaalsContact CD-OH 3.27Å; R18-Y192 WeakPolarHBondContact CD-OH 3.23Å
19L98.9Very high98.6Very high0 Ų030 Ų300%017%0.169CC..Hα-helixtrans-57.6-39.9179.3-68.2165.5000112.7Q15 T17 Y23 F153 Y156 I189 Y192Q15-L19 HydrophobicContact CG-CD1 4.35Å; Q15-L19 WeakPolarHBondContact O-CG 3.46Å; Q15-L19 PolarHBondContact O-N 3.22Å; T17-L19 VanDerWaalsContact C-N 3.34Å; T17-L19 PolarHBondContact O-N 2.91Å; L19-Y23 WeakPolarHBondContact O-CB 3.46Å; L19-Y23 PolarHBondContact O-N 3.5Å; L19-F153 HydrophobicContact CB-CB 3.95Å; L19-F153 HydrophobicContact CB-CD1 3.76Å; L19-F153 HydrophobicContact CB-CG 3.92Å; L19-F153 HydrophobicContact CD1-CB 4.36Å; L19-Y156 HydrophobicContact CD1-CD1 3.45Å; L19-Y156 VanDerWaalsContact CD1-CD1 3.45Å; L19-Y156 HydrophobicContact CD1-CE1 3.8Å; L19-Y156 HydrophobicContact CD2-CE1 4.27Å; L19-I189 HydrophobicContact CB-CD1 4.38Å; L19-I189 HydrophobicContact CD2-CD1 4.15Å; L19-I189 HydrophobicContact CD2-CG2 4.14Å; L19-I189 VanDerWaalsContact O-CD1 3.31Å; L19-I189 WeakPolarHBondContact O-CD1 3.43Å; L19-Y192 HydrophobicContact CD2-CD1 3.83Å; L19-Y192 HydrophobicContact CD2-CE1 3.79Å; L19-Y192 HydrophobicContact CG-CE1 4.4Å
20L98.9Very high98.6Very high0 Ų028.2 Ų28.20%016%0.162CC..Hα-helixtrans-65.3-47.9176.1-179.763.6000112P16 T17 R18 E22 Y23 L24 L72 I75 A76 M81 H150 F153P16-L20 PolarHBondContact O-N 3.47Å; T17-L20 PolarHBondContact O-N 3.3Å; R18-L20 VanDerWaalsContact C-N 3.29Å; R18-L20 PolarHBondContact O-N 2.8Å; L20-E22 VanDerWaalsContact C-N 3.27Å; L20-E22 PolarHBondContact O-N 3.18Å; L20-Y23 PolarHBondContact O-N 3.38Å; L20-L24 HydrophobicContact CD1-CD1 3.8Å; L20-L24 HydrophobicContact CD1-CG 4.12Å; L20-L24 HydrophobicContact CD2-CD1 4.48Å; L20-L24 HydrophobicContact CG-CD1 3.78Å; L20-L24 HydrophobicContact CG-CG 4.45Å; L20-L24 WeakPolarHBondContact O-CB 3.32Å; L20-L24 VanDerWaalsContact O-CG 3.23Å; L20-L24 WeakPolarHBondContact O-CG 3.37Å; L20-L24 PolarHBondContact O-N 3.22Å; L20-L72 HydrophobicContact CB-CD1 4.01Å; L20-L72 HydrophobicContact CD2-CD1 3.57Å; L20-L72 HydrophobicContact CD2-CG 4.44Å; L20-L72 HydrophobicContact CG-CD1 4.44Å; L20-I75 HydrophobicContact CD2-CB 4.06Å; L20-I75 HydrophobicContact CD2-CG2 3.69Å; L20-I75 HydrophobicContact CG-CG2 4.04Å; L20-A76 HydrophobicContact CD2-CB 4.22Å; L20-M81 HydrophobicContact CD1-CE 3.92Å; L20-M81 HydrophobicContact CD1-SD 4.12Å; L20-H150 HydrophobicContact CD1-CB 4.36Å; L20-H150 HydrophobicContact CD2-CB 3.86Å; L20-F153 HydrophobicContact CB-CD2 3.92Å; L20-F153 HydrophobicContact CB-CE2 4.3Å; L20-F153 HydrophobicContact CD1-CD2 3.87Å; L20-F153 HydrophobicContact CD1-CE2 3.65Å
21L98.8Very high98.6Very high0 Ų032.4 Ų32.40%018%0.178CC..Hα-helixtrans-58.2-42.8177.7-72.8162.6000111.2L5 T17 R18 L24 G25 E26 Y28 I75L5-L21 HydrophobicContact CD2-CD1 4.08Å; T17-L21 HydrophobicContact CG2-CD1 4.09Å; T17-L21 WeakPolarHBondContact O-CG 3.36Å; T17-L21 PolarHBondContact O-N 2.9Å; R18-L21 PolarHBondContact O-N 3.06Å; L21-L24 PolarHBondContact O-N 2.72Å; L21-G25 PolarHBondContact O-N 2.93Å; L21-G25 VanDerWaalsContact O-N 3.07Å; L21-E26 HydrophobicContact CD2-CB 3.77Å; L21-E26 HydrophobicContact CD2-CG 4.41Å; L21-E26 PolarHBondContact O-N 3.43Å; L21-Y28 HydrophobicContact CB-CD1 3.8Å; L21-Y28 HydrophobicContact CB-CE1 3.8Å; L21-Y28 HydrophobicContact CB-CG 4.43Å; L21-Y28 HydrophobicContact CD1-CD1 4Å; L21-Y28 HydrophobicContact CD1-CD2 3.83Å; L21-Y28 HydrophobicContact CD1-CE1 4.31Å; L21-Y28 HydrophobicContact CD1-CE2 4.12Å; L21-Y28 HydrophobicContact CD1-CG 3.77Å; L21-Y28 HydrophobicContact CG-CD1 4.34Å; L21-I75 HydrophobicContact CD1-CD1 4.19Å; L21-I75 HydrophobicContact CD2-CD1 3.9Å; L21-I75 HydrophobicContact CD2-CG1 4.27Å; L21-I75 HydrophobicContact CD2-CG2 4Å; L21-I75 HydrophobicContact CG-CD1 4.03Å; L21-I75 HydrophobicContact CG-CG2 4.49Å
22E98.8Very high98.6Very high14 Ų1434.5 Ų34.57%0.06519%0.189CC..Hα-helixtrans-61.8-47.5176.2-69.4-67.2170.800112.9R18 L20 L24 G25 Y28 P188 I189 Y192 R197R18-E22 WeakPolarHBondContact O-CB 3.47Å; R18-E22 WeakPolarHBondContact O-CG 3.4Å; R18-E22 PolarHBondContact O-N 3.49Å; L20-E22 VanDerWaalsContact C-N 3.27Å; L20-E22 PolarHBondContact O-N 3.18Å; E22-L24 VanDerWaalsContact C-N 3.27Å; E22-L24 PolarHBondContact O-N 3.35Å; E22-G25 PolarHBondContact O-N 3.17Å; E22-G25 VanDerWaalsContact O-N 3.17Å; E22-Y28 PolarHBondContact OE1-OH 3.47Å; E22-P188 WeakPolarHBondContact O-CB 3.48Å; E22-I189 HydrophobicContact CB-CD1 4.33Å; E22-Y192 HydrophobicContact CB-CD1 4.48Å; E22-Y192 HydrophobicContact CB-CG 4.22Å; E22-Y192 VanDerWaalsContact CD-CD2 3.46Å; E22-Y192 HydrophobicContact CG-CD1 3.93Å; E22-Y192 HydrophobicContact CG-CD2 3.63Å; E22-Y192 HydrophobicContact CG-CE1 4.35Å; E22-Y192 HydrophobicContact CG-CE2 4.1Å; E22-Y192 HydrophobicContact CG-CG 3.52Å; E22-Y192 VanDerWaalsContact OE1-CD2 3.26Å; E22-Y192 WeakPolarHBondContact OE1-CD2 3.32Å; E22-R197 IonicContact OE1-CZ 3.27Å; E22-R197 IonicContact OE1-NE 3.85Å; E22-R197 PolarHBondContact OE1-NE 3.37Å; E22-R197 IonicContact OE1-NH2 2.7Å; E22-R197 PolarHBondContact OE1-NH2 3.2Å; E22-R197 IonicContact OE2-CZ 3.7Å; E22-R197 IonicContact OE2-NE 2.63Å; E22-R197 IonicContact OE2-NH2 3.1Å; E22-R197 PolarHBondContact OE2-NH2 3.33Å
23Y98.8Very high98.6Very high74 Ų7434.4 Ų34.429%0.2919%0.187SC..Hα-helixtrans-58.8-40.7176.2172.5-105.6000112.4L19 L20 G25 M81 V148 F153 L186 P188L19-Y23 WeakPolarHBondContact O-CB 3.46Å; L19-Y23 PolarHBondContact O-N 3.5Å; L20-Y23 PolarHBondContact O-N 3.38Å; Y23-G25 VanDerWaalsContact C-N 3.27Å; Y23-G25 PolarHBondContact O-N 2.99Å; Y23-M81 HydrophobicContact CE1-CE 4.4Å; Y23-V148 HydrophobicContact CD1-CG1 4.32Å; Y23-V148 HydrophobicContact CE1-CB 4.01Å; Y23-V148 HydrophobicContact CE1-CG1 3.96Å; Y23-V148 HydrophobicContact CE2-CB 4.31Å; Y23-V148 HydrophobicContact CE2-CG1 4.41Å; Y23-V148 HydrophobicContact CE2-CG2 4.04Å; Y23-F153 AromaticContact CD1-CE2 3.97Å; Y23-F153 HydrophobicContact CD1-CE2 3.97Å; Y23-F153 AromaticContact CD1-CZ 3.83Å; Y23-F153 HydrophobicContact CD1-CZ 3.83Å; Y23-F153 AromaticContact CD2-CZ 3.85Å; Y23-F153 HydrophobicContact CD2-CZ 3.85Å; Y23-F153 HydrophobicContact CG-CE1 4.42Å; Y23-F153 AromaticContact CG-CE2 3.97Å; Y23-F153 HydrophobicContact CG-CE2 3.97Å; Y23-F153 AromaticContact CG-CZ 3.4Å; Y23-F153 HydrophobicContact CG-CZ 3.4Å; Y23-L186 HydrophobicContact CD2-CD1 4.04Å; Y23-L186 HydrophobicContact CE2-CD1 4.07Å; Y23-L186 HydrophobicContact CE2-CD2 4.43Å; Y23-P188 HydrophobicContact CD2-CG 4.11Å
24L98.5Very high98.6Very high44 Ų4435.1 Ų35.123%0.2319%0.191CC..Hα-helixtrans-77.1-12.2-179.6-66.4170.8000113.3L20 L21 E22 E26 I75 H79 M81L20-L24 HydrophobicContact CD1-CD1 3.8Å; L20-L24 HydrophobicContact CD1-CG 4.12Å; L20-L24 HydrophobicContact CD2-CD1 4.48Å; L20-L24 HydrophobicContact CG-CD1 3.78Å; L20-L24 HydrophobicContact CG-CG 4.45Å; L20-L24 WeakPolarHBondContact O-CB 3.32Å; L20-L24 VanDerWaalsContact O-CG 3.23Å; L20-L24 WeakPolarHBondContact O-CG 3.37Å; L20-L24 PolarHBondContact O-N 3.22Å; L21-L24 PolarHBondContact O-N 2.72Å; E22-L24 VanDerWaalsContact C-N 3.27Å; E22-L24 PolarHBondContact O-N 3.35Å; L24-E26 HydrophobicContact CB-CG 3.96Å; L24-E26 PolarHBondContact O-N 3.03Å; L24-I75 HydrophobicContact CD1-CG2 3.75Å; L24-H79 HydrophobicContact CD1-CB 4.4Å; L24-H79 HydrophobicContact CD2-CB 4.14Å; L24-M81 HydrophobicContact CD2-SD 3.84Å
25G98Very high98.5Very high66 Ų6641.1 Ų41.168%0.6821%0.214SC*.THydrogen-bonded Turntrans6724.8-173.900000113L21 E22 Y23L21-G25 PolarHBondContact O-N 2.93Å; L21-G25 VanDerWaalsContact O-N 3.07Å; E22-G25 PolarHBondContact O-N 3.17Å; E22-G25 VanDerWaalsContact O-N 3.17Å; Y23-G25 VanDerWaalsContact C-N 3.27Å; Y23-G25 PolarHBondContact O-N 2.99Å
26E97.9Very high98.5Very high61 Ų6147.9 Ų47.929%0.28525%0.25SS..  trans-73.5136.4-179.3-83-73.8-168.600110.9L21 L24 Y28 H79L21-E26 HydrophobicContact CD2-CB 3.77Å; L21-E26 HydrophobicContact CD2-CG 4.41Å; L21-E26 PolarHBondContact O-N 3.43Å; L24-E26 HydrophobicContact CB-CG 3.96Å; L24-E26 PolarHBondContact O-N 3.03Å; E26-Y28 PolarHBondContact O-N 3.17Å; E26-H79 IonicContact OE1-CE1 3.9Å; E26-H79 PolarHBondContact OE1-CE1 3.04Å; E26-H79 IonicContact OE1-NE2 2.86Å; E26-H79 PolarHBondContact OE1-NE2 3.07Å; E26-H79 VanDerWaalsContact OE1-NE2 3.13Å
27A97.7Very high98.5Very high68 Ų6849.2 Ų49.256%0.56226%0.257SS*.  trans-78.2123.5173.400000109A2 P3A2-A27 HydrophobicContact CB-CB 4.37Å; P3-A27 VanDerWaalsContact CD-O 3.29Å; P3-A27 WeakPolarHBondContact CD-O 3.48Å
28Y98.6Very high98.4Very high36 Ų3649.9 Ų49.914%0.14126%0.264CS..  trans-143.8152175.972.7-76.1000111.1P3 L5 L21 E22 E26 E30P3-Y28 WeakPolarHBondContact O-CA 3.42Å; L5-Y28 HydrophobicContact CB-CD2 4.27Å; L5-Y28 HydrophobicContact CD2-CD2 4.35Å; L5-Y28 HydrophobicContact CD2-CE2 4.24Å; L21-Y28 HydrophobicContact CB-CD1 3.8Å; L21-Y28 HydrophobicContact CB-CE1 3.8Å; L21-Y28 HydrophobicContact CB-CG 4.43Å; L21-Y28 HydrophobicContact CD1-CD1 4Å; L21-Y28 HydrophobicContact CD1-CD2 3.83Å; L21-Y28 HydrophobicContact CD1-CE1 4.31Å; L21-Y28 HydrophobicContact CD1-CE2 4.12Å; L21-Y28 HydrophobicContact CD1-CG 3.77Å; L21-Y28 HydrophobicContact CG-CD1 4.34Å; E22-Y28 PolarHBondContact OE1-OH 3.47Å; E26-Y28 PolarHBondContact O-N 3.17Å; Y28-E30 HydrophobicContact CD2-CG 3.88Å; Y28-E30 HydrophobicContact CE2-CG 3.44Å; Y28-E30 VanDerWaalsContact CE2-CG 3.44Å
29E98.3Very high98.4Very high100 Ų10054.5 Ų54.547%0.46729%0.288SS..EExtended strand (participates in β ladder)trans-107.5138.2171.9-71.9177.3-172.300109.5A2 P3 K4 L5A2-E29 HydrophobicContact CB-CG 4.3Å; P3-E29 PolarHBondContact O-N 2.9Å; K4-E29 CarbonylContact C-O 3.54Å; K4-E29 WeakPolarHBondContact CA-O 3.27Å; K4-E29 WeakPolarHBondContact CE-OE2 3.38Å; K4-E29 HydrophobicContact CG-CB 4.29Å; L5-E29 PolarHBondContact N-O 3.05Å
30E98.3Very high98.3Very high48 Ų4856.9 Ų56.922%0.22430%0.303CS..EExtended strand (participates in β ladder)trans-99.9127172.6-64.8-162.481.400112.1L5 R18 Y28 L32L5-E30 HydrophobicContact CB-CG 4.49Å; L5-E30 CarbonylContact O-C 3.42Å; L5-E30 VanDerWaalsContact O-CA 3.26Å; L5-E30 WeakPolarHBondContact O-CA 3.19Å; R18-E30 IonicContact CZ-OE1 2.61Å; R18-E30 IonicContact NE-OE1 2.96Å; R18-E30 PolarHBondContact NE-OE1 3.13Å; R18-E30 IonicContact NE-OE2 2.71Å; R18-E30 PolarHBondContact NE-OE2 2.99Å; R18-E30 IonicContact NH2-OE1 3.21Å; R18-E30 PolarHBondContact NH2-OE1 2.83Å; Y28-E30 HydrophobicContact CD2-CG 3.88Å; Y28-E30 HydrophobicContact CE2-CG 3.44Å; Y28-E30 VanDerWaalsContact CE2-CG 3.44Å; E30-L32 HydrophobicContact CB-CD1 4.32Å; E30-L32 HydrophobicContact CB-CD2 3.98Å; E30-L32 HydrophobicContact CB-CG 3.79Å; E30-L32 PolarHBondContact O-N 3.04Å; E30-L32 WeakPolarHBondContact OE1-CD2 3.22Å
31R98.3Very high98.3Very high93 Ų9357.9 Ų57.935%0.35131%0.307SS..EExtended strand (participates in β ladder)trans-91.590.7161.4179.554.8170.4160.7-1.8107.9L5 G6 Y7 Y33 E44 Y57L5-R31 PolarHBondContact O-N 3.48Å; G6-R31 WeakPolarHBondContact CA-O 3.43Å; Y7-R31 PolarHBondContact N-O 3.27Å; Y7-R31 VanDerWaalsContact N-O 3.08Å; R31-Y33 HydrophobicContact CG-CE1 4.37Å; R31-Y33 HydrophobicContact CG-CE2 3.96Å; R31-E44 IonicContact CZ-OE1 2.73Å; R31-E44 IonicContact NE-OE1 3.66Å; R31-E44 IonicContact NE-OE2 3.62Å; R31-E44 IonicContact NH2-OE1 3.7Å; R31-E44 PolarHBondContact NH2-OE1 2.96Å; R31-E44 IonicContact NH2-OE2 3.52Å; R31-Y57 WeakPolarHBondContact CB-OH 3.32Å; R31-Y57 WeakPolarHBondContact CG-OH 3.43Å
32L98.7Very high98.3Very high45 Ų4564.8 Ų64.824%0.23633%0.333CS..EExtended strand (participates in β ladder)trans-86124.8178.8-62.4172.7000110.3Y7 K9 E30 I199Y7-L32 WeakPolarHBondContact O-CA 3.28Å; K9-L32 HydrophobicContact CB-CB 4.24Å; K9-L32 HydrophobicContact CG-CB 4.41Å; K9-L32 HydrophobicContact CG-CD1 4.16Å; E30-L32 HydrophobicContact CB-CD1 4.32Å; E30-L32 HydrophobicContact CB-CD2 3.98Å; E30-L32 HydrophobicContact CB-CG 3.79Å; E30-L32 PolarHBondContact O-N 3.04Å; E30-L32 WeakPolarHBondContact OE1-CD2 3.22Å; L32-I199 HydrophobicContact CD1-CD1 4.23Å; L32-I199 HydrophobicContact CD2-CD1 4.02Å
33Y98.8Very high98.3Very high0 Ų069 Ų690%036%0.356CS..EExtended strand (participates in β ladder)trans-95.7121.1170.2-58.9-84.9000108.7Y7 W8 K9 R31 D37 V40 W41 E44 L55 Y57Y7-Y33 WeakPolarHBondContact O-CD2 3.31Å; Y7-Y33 PolarHBondContact O-N 2.79Å; W8-Y33 WeakPolarHBondContact CA-O 3.41Å; W8-Y33 HydrophobicContact CE3-CG 4.42Å; W8-Y33 VanDerWaalsContact CZ3-CB 3.41Å; W8-Y33 HydrophobicContact CZ3-CG 4.27Å; K9-Y33 PolarHBondContact N-O 3.49Å; R31-Y33 HydrophobicContact CG-CE1 4.37Å; R31-Y33 HydrophobicContact CG-CE2 3.96Å; Y33-D37 HydrophobicContact CD1-CB 4.37Å; Y33-V40 HydrophobicContact CD1-CG1 4.34Å; Y33-V40 HydrophobicContact CE1-CG1 4.25Å; Y33-W41 HydrophobicContact CD1-CB 3.89Å; Y33-W41 HydrophobicContact CE1-CB 4.01Å; Y33-W41 HydrophobicContact CE1-CE3 4.26Å; Y33-W41 HydrophobicContact CE2-CE3 4.05Å; Y33-W41 HydrophobicContact CG-CB 4.31Å; Y33-W41 AromaticContact CZ-CE3 3.73Å; Y33-E44 VanDerWaalsContact CE1-OE2 3.28Å; Y33-E44 WeakPolarHBondContact CE1-OE2 3.49Å; Y33-E44 PolarHBondContact OH-OE2 3.37Å; Y33-L55 HydrophobicContact CD2-CD1 4.12Å; Y33-L55 HydrophobicContact CD2-CD2 4.03Å; Y33-L55 HydrophobicContact CE2-CD1 4.42Å; Y33-L55 HydrophobicContact CE2-CD2 3.7Å; Y33-Y57 AromaticContact CE2-CE1 3.92Å; Y33-Y57 HydrophobicContact CE2-CE1 3.92Å; Y33-Y57 PolarHBondContact OH-OH 3.06Å
34D98.5Very high98.3Very high73 Ų7367.8 Ų67.839%0.3935%0.353SS..PPolyproline II helixtrans-75.3171.6177.3-82.5-53.6000111.7K9 N36 D37K9-D34 WeakPolarHBondContact CD-OD1 3.42Å; K9-D34 IonicContact NZ-OD1 2.92Å; D34-N36 PolarHBondContact O-N 3.09Å; D34-D37 PolarHBondContact N-OD2 2.74Å; D34-D37 WeakPolarHBondContact O-CB 3.1Å; D34-D37 PolarHBondContact O-N 3.44Å
35R97.9Very high98.2Very high125 Ų12568.7 Ų68.747%0.47236%0.355SS..THydrogen-bonded Turntrans-50.6-36.5-176.4-177.7175.6176.8177.9-4.2114.1W206 D214R35-W206 HydrophobicContact CB-CD2 3.69Å; R35-W206 HydrophobicContact CB-CE3 3.99Å; R35-W206 HydrophobicContact CB-CG 4.06Å; R35-W206 HydrophobicContact CB-CH2 4.39Å; R35-W206 HydrophobicContact CB-CZ2 4.13Å; R35-W206 HydrophobicContact CB-CZ3 4.33Å; R35-W206 HydrophobicContact CG-CB 4.04Å; R35-W206 HydrophobicContact CG-CD2 3.84Å; R35-W206 HydrophobicContact CG-CE3 4.14Å; R35-W206 HydrophobicContact CG-CG 3.78Å; R35-D214 IonicContact CZ-OD1 2.8Å; R35-D214 IonicContact NH1-OD1 3.91Å; R35-D214 PolarHBondContact NH1-OD1 3.03Å; R35-D214 IonicContact NH1-OD2 2.66Å; R35-D214 PolarHBondContact NH1-OD2 3.03Å
36N97.8Very high98.3Very high145 Ų14572.9 Ų72.978%0.77536%0.355SS*.THydrogen-bonded Turntrans-97.11.5-176.7-61.7-29.1000113.1D34 G38D34-N36 PolarHBondContact O-N 3.09Å; N36-G38 PolarHBondContact O-N 3.33Å; N36-G38 VanDerWaalsContact O-N 3.13Å
37D98.4Very high98.3Very high41 Ų4178 Ų7822%0.21938%0.376CS..THydrogen-bonded Turntrans-84.321.9-178.1-72.3-18.4000113.1Y33 D34 D39 V40 W41Y33-D37 HydrophobicContact CD1-CB 4.37Å; D34-D37 PolarHBondContact N-OD2 2.74Å; D34-D37 WeakPolarHBondContact O-CB 3.1Å; D34-D37 PolarHBondContact O-N 3.44Å; D37-D39 VanDerWaalsContact C-N 3.28Å; D37-D39 PolarHBondContact O-N 3.03Å; D37-V40 HydrophobicContact CB-CB 4Å; D37-V40 HydrophobicContact CB-CG2 4.1Å; D37-V40 WeakPolarHBondContact O-CB 3.4Å; D37-V40 PolarHBondContact O-N 2.82Å; D37-V40 VanDerWaalsContact O-N 3.13Å; D37-W41 PolarHBondContact O-N 3.37Å
38G97.7Very high98.3Very high15 Ų1576.8 Ų76.816%0.15536%0.36CS..Hα-helixtrans-54.4-44.1177.700000112.5N36 R42N36-G38 PolarHBondContact O-N 3.33Å; N36-G38 VanDerWaalsContact O-N 3.13Å; G38-R42 WeakPolarHBondContact O-CG 3.4Å; G38-R42 VanDerWaalsContact O-CZ 3.31Å; G38-R42 PolarHBondContact O-N 3.24Å; G38-R42 VanDerWaalsContact O-N 3.1Å; G38-R42 PolarHBondContact O-NE 2.96Å; G38-R42 PolarHBondContact O-NH1 2.8Å
39D98.3Very high98.2Very high96 Ų9677 Ų7751%0.51337%0.374SS..Hα-helixtrans-72.9-35.5177.1-73.1-48.5000112.8D37 W41 R42 N43D37-D39 VanDerWaalsContact C-N 3.28Å; D37-D39 PolarHBondContact O-N 3.03Å; D39-W41 PolarHBondContact O-N 3.4Å; D39-R42 PolarHBondContact O-N 2.94Å; D39-R42 IonicContact OD1-CZ 3.16Å; D39-R42 IonicContact OD1-NE 2.92Å; D39-R42 PolarHBondContact OD1-NE 2.86Å; D39-R42 IonicContact OD1-NH2 2.64Å; D39-R42 PolarHBondContact OD1-NH2 2.63Å; D39-R42 IonicContact OD2-NH2 3.38Å; D39-R42 PolarHBondContact OD2-NH2 3.27Å; D39-N43 VanDerWaalsContact O-CB 3.32Å; D39-N43 WeakPolarHBondContact O-CB 3.41Å; D39-N43 PolarHBondContact O-N 3.28Å; D39-N43 PolarHBondContact O-ND2 2.63Å; D39-N43 VanDerWaalsContact O-ND2 3.15Å
40V98.6Very high98.3Very high50 Ų5073 Ų7330%0.30336%0.355SS..Hα-helixtrans-59.1-49.6175.4-178.30000109.7Y33 D37 N43 E44Y33-V40 HydrophobicContact CD1-CG1 4.34Å; Y33-V40 HydrophobicContact CE1-CG1 4.25Å; D37-V40 HydrophobicContact CB-CB 4Å; D37-V40 HydrophobicContact CB-CG2 4.1Å; D37-V40 WeakPolarHBondContact O-CB 3.4Å; D37-V40 PolarHBondContact O-N 2.82Å; D37-V40 VanDerWaalsContact O-N 3.13Å; V40-N43 PolarHBondContact O-N 3.4Å; V40-E44 WeakPolarHBondContact O-CG 3.47Å; V40-E44 PolarHBondContact O-N 3.11Å; V40-E44 VanDerWaalsContact O-N 3.11Å
41W98.5Very high98.3Very high22 Ų2277.4 Ų77.48%0.08338%0.38CS..Hα-helixtrans-59.9-48.9175.1167.2-127.4000112W8 Y33 D37 D39 N43 E44 K45 L48 L55 Y57W8-W41 HydrophobicContact CH2-CB 3.79Å; W8-W41 AromaticContact CH2-CD1 3.88Å; W8-W41 HydrophobicContact CH2-CG 4.08Å; W8-W41 HydrophobicContact CZ2-CB 4.44Å; W8-W41 AromaticContact CZ2-CD1 3.73Å; W8-W41 HydrophobicContact CZ2-CG 4.25Å; W8-W41 HydrophobicContact CZ3-CB 4.45Å; Y33-W41 HydrophobicContact CD1-CB 3.89Å; Y33-W41 HydrophobicContact CE1-CB 4.01Å; Y33-W41 HydrophobicContact CE1-CE3 4.26Å; Y33-W41 HydrophobicContact CE2-CE3 4.05Å; Y33-W41 HydrophobicContact CG-CB 4.31Å; Y33-W41 AromaticContact CZ-CE3 3.73Å; D37-W41 PolarHBondContact O-N 3.37Å; D39-W41 PolarHBondContact O-N 3.4Å; W41-N43 PolarHBondContact O-N 3Å; W41-E44 PolarHBondContact O-N 3.1Å; W41-E44 VanDerWaalsContact O-N 3.1Å; W41-K45 HydrophobicContact CD2-CB 4.27Å; W41-K45 HydrophobicContact CE3-CB 4.28Å; W41-K45 HydrophobicContact CH2-CB 3.92Å; W41-K45 HydrophobicContact CH2-CG 3.82Å; W41-K45 HydrophobicContact CZ2-CB 3.87Å; W41-K45 HydrophobicContact CZ2-CD 3.82Å; W41-K45 HydrophobicContact CZ2-CG 3.57Å; W41-K45 HydrophobicContact CZ3-CB 4.12Å; W41-K45 WeakPolarHBondContact O-CB 3.44Å; W41-K45 PolarHBondContact O-N 3.2Å; W41-L48 HydrophobicContact CZ3-CD1 3.97Å; W41-L55 HydrophobicContact CD2-CD1 3.7Å; W41-L55 HydrophobicContact CD2-CD2 4.35Å; W41-L55 HydrophobicContact CD2-CG 3.97Å; W41-L55 HydrophobicContact CE3-CD1 4.28Å; W41-L55 HydrophobicContact CE3-CD2 4.13Å; W41-L55 HydrophobicContact CE3-CG 4.24Å; W41-L55 HydrophobicContact CG-CD1 3.83Å; W41-L55 HydrophobicContact CH2-CD2 4.11Å; W41-L55 HydrophobicContact CH2-CG 4.01Å; W41-L55 HydrophobicContact CZ2-CD1 4.28Å; W41-L55 HydrophobicContact CZ2-CD2 4.33Å; W41-L55 HydrophobicContact CZ2-CG 3.71Å; W41-L55 HydrophobicContact CZ3-CD2 4.01Å; W41-L55 HydrophobicContact CZ3-CG 4.26Å; W41-Y57 HydrophobicContact CE3-CE1 4.47Å; W41-Y57 HydrophobicContact CH2-CD1 4.18Å; W41-Y57 HydrophobicContact CH2-CE1 4.44Å; W41-Y57 AromaticContact CZ3-CD1 3.95Å; W41-Y57 HydrophobicContact CZ3-CD1 3.95Å; W41-Y57 AromaticContact CZ3-CE1 3.76Å; W41-Y57 HydrophobicContact CZ3-CE1 3.76Å
42R98.5Very high98.3Very high144 Ų14480.6 Ų80.654%0.54340%0.397SS..Hα-helixtrans-55.3-37.9178.7-77.8-176.6-74.3-89.912.3112.3G38 D39G38-R42 WeakPolarHBondContact O-CG 3.4Å; G38-R42 VanDerWaalsContact O-CZ 3.31Å; G38-R42 PolarHBondContact O-N 3.24Å; G38-R42 VanDerWaalsContact O-N 3.1Å; G38-R42 PolarHBondContact O-NE 2.96Å; G38-R42 PolarHBondContact O-NH1 2.8Å; D39-R42 PolarHBondContact O-N 2.94Å; D39-R42 IonicContact OD1-CZ 3.16Å; D39-R42 IonicContact OD1-NE 2.92Å; D39-R42 PolarHBondContact OD1-NE 2.86Å; D39-R42 IonicContact OD1-NH2 2.64Å; D39-R42 PolarHBondContact OD1-NH2 2.63Å; D39-R42 IonicContact OD2-NH2 3.38Å; D39-R42 PolarHBondContact OD2-NH2 3.27Å
43N98.3Very high98.3Very high102 Ų10280 Ų8055%0.54540%0.396SS..Hα-helixtrans-75.9-25.6-179.6-71.9-26.3000114.1D39 V40 W41 K47D39-N43 VanDerWaalsContact O-CB 3.32Å; D39-N43 WeakPolarHBondContact O-CB 3.41Å; D39-N43 PolarHBondContact O-N 3.28Å; D39-N43 PolarHBondContact O-ND2 2.63Å; D39-N43 VanDerWaalsContact O-ND2 3.15Å; V40-N43 PolarHBondContact O-N 3.4Å; W41-N43 PolarHBondContact O-N 3Å; N43-K47 VanDerWaalsContact O-CD 3.3Å; N43-K47 WeakPolarHBondContact O-CD 3.48Å; N43-K47 WeakPolarHBondContact O-CE 3.38Å; N43-K47 PolarHBondContact O-NZ 2.7Å
44E97.9Very high98.3Very high50 Ų5083.5 Ų83.523%0.23441%0.414CS..Hα-helixtrans-92.3-29.8178.1-71.8179.3-172.800113R31 Y33 V40 W41 F46 K47R31-E44 IonicContact CZ-OE1 2.73Å; R31-E44 IonicContact NE-OE1 3.66Å; R31-E44 IonicContact NE-OE2 3.62Å; R31-E44 IonicContact NH2-OE1 3.7Å; R31-E44 PolarHBondContact NH2-OE1 2.96Å; R31-E44 IonicContact NH2-OE2 3.52Å; Y33-E44 VanDerWaalsContact CE1-OE2 3.28Å; Y33-E44 WeakPolarHBondContact CE1-OE2 3.49Å; Y33-E44 PolarHBondContact OH-OE2 3.37Å; V40-E44 WeakPolarHBondContact O-CG 3.47Å; V40-E44 PolarHBondContact O-N 3.11Å; V40-E44 VanDerWaalsContact O-N 3.11Å; W41-E44 PolarHBondContact O-N 3.1Å; W41-E44 VanDerWaalsContact O-N 3.1Å; E44-F46 VanDerWaalsContact C-N 3.28Å; E44-F46 PolarHBondContact O-N 3.37Å; E44-K47 PolarHBondContact O-N 3Å
45K98.2Very high98.3Very high62 Ų6280.6 Ų80.627%0.2740%0.399SS..THydrogen-bonded Turntrans-42.9-47.5-168.9178.5172.2-178178.60114.6W41 P53W41-K45 HydrophobicContact CD2-CB 4.27Å; W41-K45 HydrophobicContact CE3-CB 4.28Å; W41-K45 HydrophobicContact CH2-CB 3.92Å; W41-K45 HydrophobicContact CH2-CG 3.82Å; W41-K45 HydrophobicContact CZ2-CB 3.87Å; W41-K45 HydrophobicContact CZ2-CD 3.82Å; W41-K45 HydrophobicContact CZ2-CG 3.57Å; W41-K45 HydrophobicContact CZ3-CB 4.12Å; W41-K45 WeakPolarHBondContact O-CB 3.44Å; W41-K45 PolarHBondContact O-N 3.2Å; K45-P53 HydrophobicContact CD-CB 4.37Å; K45-P53 WeakPolarHBondContact CE-O 3.21Å; K45-P53 HydrophobicContact CG-CB 3.58Å; K45-P53 WeakPolarHBondContact O-CB 3.4Å
46F98.4Very high98.3Very high155 Ų15574.8 Ų74.868%0.6838%0.377SS*.THydrogen-bonded Turntrans-96.27.6-175.6-58.8-74.5000114.2E44 P53E44-F46 VanDerWaalsContact C-N 3.28Å; E44-F46 PolarHBondContact O-N 3.37Å; F46-P53 HydrophobicContact CD1-CB 4.22Å; F46-P53 HydrophobicContact CD1-CG 3.83Å; F46-P53 HydrophobicContact CE1-CB 4.21Å; F46-P53 HydrophobicContact CE1-CG 4.02Å
47K98.3Very high98.4Very high168 Ų16868.2 Ų68.273%0.7334%0.341SS*.THydrogen-bonded Turntrans-109.5-5.6-177.1-59.7178.6-174.2158.10113.6N43 E44 G49N43-K47 VanDerWaalsContact O-CD 3.3Å; N43-K47 WeakPolarHBondContact O-CD 3.48Å; N43-K47 WeakPolarHBondContact O-CE 3.38Å; N43-K47 PolarHBondContact O-NZ 2.7Å; E44-K47 PolarHBondContact O-N 3Å; K47-G49 VanDerWaalsContact C-N 3.33Å
48L97.7Very high98.4Very high42 Ų4266.4 Ų66.422%0.2233%0.332CS..SBendtrans-84.1-8.2-178.5-65.2170.9000113.2W41 L50 Y57 I59W41-L48 HydrophobicContact CZ3-CD1 3.97Å; L48-L50 HydrophobicContact CB-CD1 4.03Å; L48-L50 HydrophobicContact CB-CG 3.87Å; L48-L50 HydrophobicContact CD1-CD1 4.05Å; L48-Y57 HydrophobicContact CD1-CD1 3.96Å; L48-Y57 HydrophobicContact CD1-CE1 3.52Å; L48-Y57 HydrophobicContact CD1-CE2 4.17Å; L48-Y57 HydrophobicContact CD1-CG 4.45Å; L48-I59 HydrophobicContact CB-CD1 4.41Å; L48-I59 HydrophobicContact CD2-CD1 4.45Å
49G98Very high98.5Very high42 Ų4267.4 Ų67.443%0.43333%0.333SS..  trans69.635.9-175.800000113.1K47 K64K47-G49 VanDerWaalsContact C-N 3.33Å; G49-K64 WeakPolarHBondContact O-CD 3.27Å
50L98.4Very high98.5Very high14 Ų1464.2 Ų64.27%0.07332%0.316CS..  trans-87132.5175.3-57.1168.8000109.3L48 F52 P53 Y57 K64 T66L48-L50 HydrophobicContact CB-CD1 4.03Å; L48-L50 HydrophobicContact CB-CG 3.87Å; L48-L50 HydrophobicContact CD1-CD1 4.05Å; L50-F52 VanDerWaalsContact C-N 3.34Å; L50-P53 HydrophobicContact CB-CB 4.39Å; L50-P53 HydrophobicContact CB-CG 4.16Å; L50-P53 HydrophobicContact CD1-CB 4.5Å; L50-P53 WeakPolarHBondContact O-CD 3.29Å; L50-P53 WeakPolarHBondContact O-CG 3.43Å; L50-Y57 HydrophobicContact CD1-CD1 4.3Å; L50-Y57 HydrophobicContact CD1-CG 4.2Å; L50-K64 HydrophobicContact CD2-CB 4.2Å; L50-T66 HydrophobicContact CB-CG2 4.27Å; L50-T66 HydrophobicContact CD1-CG2 3.92Å; L50-T66 HydrophobicContact CD2-CG2 4.03Å; L50-T66 HydrophobicContact CG-CG2 4.29Å
51D98.4Very high98.4Very high141 Ų14164.8 Ų64.875%0.75433%0.332SS*.SBendtrans-68.4-35.1176.3-64.1-36.4000112.2
52F98.7Very high98.3Very high160 Ų16070.9 Ų70.970%0.70237%0.367SS*.SBendtrans-124.874.1176.9-59.8-85000110.6L50 N54 T66L50-F52 VanDerWaalsContact C-N 3.34Å; F52-N54 PolarHBondContact O-N 3.24Å; F52-N54 VanDerWaalsContact O-N 3.1Å; F52-T66 WeakPolarHBondContact O-CB 3.41Å; F52-T66 WeakPolarHBondContact O-CG2 3.31Å; F52-T66 PolarHBondContact O-OG1 3.34Å
53P98.6Very high98.2Very high33 Ų3365.9 Ų65.921%0.21435%0.352CS..  trans-55.1115-171.4-27.134.7000113.9K45 F46 L50K45-P53 HydrophobicContact CD-CB 4.37Å; K45-P53 WeakPolarHBondContact CE-O 3.21Å; K45-P53 HydrophobicContact CG-CB 3.58Å; K45-P53 WeakPolarHBondContact O-CB 3.4Å; F46-P53 HydrophobicContact CD1-CB 4.22Å; F46-P53 HydrophobicContact CD1-CG 3.83Å; F46-P53 HydrophobicContact CE1-CB 4.21Å; F46-P53 HydrophobicContact CE1-CG 4.02Å; L50-P53 HydrophobicContact CB-CB 4.39Å; L50-P53 HydrophobicContact CB-CG 4.16Å; L50-P53 HydrophobicContact CD1-CB 4.5Å; L50-P53 WeakPolarHBondContact O-CD 3.29Å; L50-P53 WeakPolarHBondContact O-CG 3.43Å
54N98.8Very high98.3Very high73 Ų7365.1 Ų65.139%0.3934%0.344SS..  trans-158.7171.7-176.7-149.4-12.2000111.7F52 T66F52-N54 PolarHBondContact O-N 3.24Å; F52-N54 VanDerWaalsContact O-N 3.1Å; N54-T66 HydrophobicContact CB-CG2 4.31Å
55L98.8Very high98.3Very high13 Ų1365 Ų657%0.06834%0.344CS..SBendtrans-115.2131.6168.6-71171.5000109.6G6 Y7 W8 Y33 W41 Y57G6-L55 WeakPolarHBondContact O-CD2 3.33Å; Y7-L55 HydrophobicContact CD2-CB 3.9Å; Y7-L55 HydrophobicContact CE2-CB 4.17Å; W8-L55 HydrophobicContact CD2-CD1 4.02Å; W8-L55 VanDerWaalsContact CE2-CD1 3.44Å; W8-L55 HydrophobicContact CG-CD1 4.4Å; W8-L55 HydrophobicContact CH2-CD1 4.29Å; W8-L55 HydrophobicContact CZ2-CD1 3.6Å; Y33-L55 HydrophobicContact CD2-CD1 4.12Å; Y33-L55 HydrophobicContact CD2-CD2 4.03Å; Y33-L55 HydrophobicContact CE2-CD1 4.42Å; Y33-L55 HydrophobicContact CE2-CD2 3.7Å; W41-L55 HydrophobicContact CD2-CD1 3.7Å; W41-L55 HydrophobicContact CD2-CD2 4.35Å; W41-L55 HydrophobicContact CD2-CG 3.97Å; W41-L55 HydrophobicContact CE3-CD1 4.28Å; W41-L55 HydrophobicContact CE3-CD2 4.13Å; W41-L55 HydrophobicContact CE3-CG 4.24Å; W41-L55 HydrophobicContact CG-CD1 3.83Å; W41-L55 HydrophobicContact CH2-CD2 4.11Å; W41-L55 HydrophobicContact CH2-CG 4.01Å; W41-L55 HydrophobicContact CZ2-CD1 4.28Å; W41-L55 HydrophobicContact CZ2-CD2 4.33Å; W41-L55 HydrophobicContact CZ2-CG 3.71Å; W41-L55 HydrophobicContact CZ3-CD2 4.01Å; W41-L55 HydrophobicContact CZ3-CG 4.26Å; L55-Y57 HydrophobicContact CD2-CD1 3.58Å; L55-Y57 HydrophobicContact CD2-CE1 3.71Å
56P98.9Very high98.3Very high2 Ų262.6 Ų62.61%0.01334%0.335CS..SBendcis-73.6158.1-0.130.6-33.8000113.4G6 Y7 V14 T66 I71G6-P56 WeakPolarHBondContact O-CA 3.45Å; G6-P56 WeakPolarHBondContact O-CB 3.36Å; Y7-P56 HydrophobicContact CD2-CB 3.61Å; Y7-P56 HydrophobicContact CD2-CG 4.21Å; Y7-P56 HydrophobicContact CE2-CB 4.25Å; Y7-P56 HydrophobicContact CE2-CG 4.36Å; Y7-P56 HydrophobicContact CG-CB 4.22Å; V14-P56 HydrophobicContact CB-CB 4.35Å; V14-P56 HydrophobicContact CG2-CB 3.88Å; V14-P56 HydrophobicContact CG2-CG 4.26Å; P56-T66 WeakPolarHBondContact O-CA 3.07Å; P56-I71 HydrophobicContact CB-CD1 4.07Å; P56-I71 HydrophobicContact CG-CD1 4.01Å
57Y98.9Very high98.4Very high7 Ų760.8 Ų60.83%0.02733%0.329CS..EExtended strand (participates in β ladder)trans-122.2156.4163.665.4-104.2000110.6G6 R31 Y33 W41 L48 L50 L55 I59 L65G6-Y57 VanDerWaalsContact CA-CZ 3.49Å; G6-Y57 PolarHBondContact N-O 3Å; G6-Y57 PolarHBondContact O-N 3.28Å; R31-Y57 WeakPolarHBondContact CB-OH 3.32Å; R31-Y57 WeakPolarHBondContact CG-OH 3.43Å; Y33-Y57 AromaticContact CE2-CE1 3.92Å; Y33-Y57 HydrophobicContact CE2-CE1 3.92Å; Y33-Y57 PolarHBondContact OH-OH 3.06Å; W41-Y57 HydrophobicContact CE3-CE1 4.47Å; W41-Y57 HydrophobicContact CH2-CD1 4.18Å; W41-Y57 HydrophobicContact CH2-CE1 4.44Å; W41-Y57 AromaticContact CZ3-CD1 3.95Å; W41-Y57 HydrophobicContact CZ3-CD1 3.95Å; W41-Y57 AromaticContact CZ3-CE1 3.76Å; W41-Y57 HydrophobicContact CZ3-CE1 3.76Å; L48-Y57 HydrophobicContact CD1-CD1 3.96Å; L48-Y57 HydrophobicContact CD1-CE1 3.52Å; L48-Y57 HydrophobicContact CD1-CE2 4.17Å; L48-Y57 HydrophobicContact CD1-CG 4.45Å; L50-Y57 HydrophobicContact CD1-CD1 4.3Å; L50-Y57 HydrophobicContact CD1-CG 4.2Å; L55-Y57 HydrophobicContact CD2-CD1 3.58Å; L55-Y57 HydrophobicContact CD2-CE1 3.71Å; Y57-I59 HydrophobicContact CD2-CD1 4.11Å; Y57-I59 HydrophobicContact CD2-CG1 4.13Å; Y57-I59 HydrophobicContact CE2-CD1 4.15Å; Y57-L65 CarbonylContact C-O 3.57Å; Y57-L65 WeakPolarHBondContact CA-O 3.41Å
58Y98.9Very high98.4Very high4 Ų453.1 Ų53.12%0.01630%0.296CS..EExtended strand (participates in β ladder)trans-137.9126.7176.2-173.2-99.8000110.2P3 K4 L5 D60 L65 I71 Y74 I75P3-Y58 HydrophobicContact CB-CE1 3.95Å; P3-Y58 HydrophobicContact CB-CE2 3.64Å; P3-Y58 WeakPolarHBondContact CB-OH 3.34Å; P3-Y58 VanDerWaalsContact CG-OH 3.27Å; P3-Y58 WeakPolarHBondContact CG-OH 3.39Å; K4-Y58 CarbonylContact O-C 3.55Å; K4-Y58 VanDerWaalsContact O-CA 3.28Å; K4-Y58 WeakPolarHBondContact O-CA 3.08Å; L5-Y58 HydrophobicContact CB-CD2 4.23Å; L5-Y58 HydrophobicContact CD1-CD2 4.04Å; Y58-D60 HydrophobicContact CD1-CB 4.2Å; Y58-D60 HydrophobicContact CE1-CB 3.57Å; Y58-L65 PolarHBondContact N-O 3.41Å; Y58-L65 PolarHBondContact O-N 3.11Å; Y58-I71 HydrophobicContact CD2-CG2 4.11Å; Y58-I71 HydrophobicContact CG-CG2 3.88Å; Y58-Y74 HydrophobicContact CD1-CD1 4.24Å; Y58-Y74 HydrophobicContact CD1-CE1 4.3Å; Y58-Y74 AromaticContact CE1-CD1 3.95Å; Y58-Y74 HydrophobicContact CE1-CD1 3.95Å; Y58-Y74 AromaticContact CE1-CE1 3.75Å; Y58-Y74 HydrophobicContact CE1-CE1 3.75Å; Y58-I75 HydrophobicContact CD2-CD1 4.5Å; Y58-I75 HydrophobicContact CE1-CG1 4.48Å; Y58-I75 HydrophobicContact CE2-CD1 4.08Å
59I98.7Very high98.5Very high35 Ų3552.7 Ų52.718%0.17929%0.294CS..EExtended strand (participates in β ladder)trans-121.9111.3-178.3-59.9173.3000108.9P3 K4 L48 Y57 V63 K64P3-I59 CarbonylContact C-O 3.41Å; P3-I59 VanDerWaalsContact CA-O 3.24Å; P3-I59 WeakPolarHBondContact CA-O 3.42Å; K4-I59 HydrophobicContact CB-CB 4.48Å; K4-I59 PolarHBondContact N-O 2.89Å; K4-I59 PolarHBondContact O-N 2.97Å; L48-I59 HydrophobicContact CB-CD1 4.41Å; L48-I59 HydrophobicContact CD2-CD1 4.45Å; Y57-I59 HydrophobicContact CD2-CD1 4.11Å; Y57-I59 HydrophobicContact CD2-CG1 4.13Å; Y57-I59 HydrophobicContact CE2-CD1 4.15Å; I59-V63 WeakPolarHBondContact CA-O 3.24Å; I59-K64 HydrophobicContact CG1-CG 4.34Å; I59-K64 HydrophobicContact CG2-CG 4.25Å
60D98.2Very high98.5Very high29 Ų2952.8 Ų52.816%0.15529%0.29CS..EExtended strand (participates in β ladder)trans-126.390.8177.7-179.215.7000108.4P3 Y58 D62 V63 Y74 K78P3-D60 HydrophobicContact CB-CB 4Å; P3-D60 HydrophobicContact CG-CB 3.98Å; Y58-D60 HydrophobicContact CD1-CB 4.2Å; Y58-D60 HydrophobicContact CE1-CB 3.57Å; D60-D62 PolarHBondContact O-N 3.45Å; D60-V63 PolarHBondContact N-O 3.32Å; D60-V63 WeakPolarHBondContact O-CB 3.32Å; D60-V63 PolarHBondContact O-N 3.45Å; D60-Y74 HydrophobicContact CB-CE1 4.39Å; D60-Y74 PolarHBondContact OD2-OH 3Å; D60-Y74 VanDerWaalsContact OD2-OH 3.05Å; D60-K78 IonicContact OD2-NZ 3.22Å; D60-K78 PolarHBondContact OD2-NZ 2.93Å
61G96.7Very high98.5Very high63 Ų6352.1 Ų52.165%0.64929%0.287SS*.THydrogen-bonded Turntrans64-116-174.300000112.7
62D96.2Very high98.5Very high150 Ų15045.6 Ų45.680%0.80225%0.252SS*.THydrogen-bonded Turntrans-82.9-19.9176.257.3-24.3000113.2D60 K64D60-D62 PolarHBondContact O-N 3.45Å; D62-K64 PolarHBondContact O-N 3.49Å
63V98.3Very high98.6Very high38 Ų3841 Ų4123%0.2323%0.23CC..EExtended strand (participates in β ladder)trans-76.3116.3175.8177.60000110.2I59 D60 L65 Y74I59-V63 WeakPolarHBondContact CA-O 3.24Å; D60-V63 PolarHBondContact N-O 3.32Å; D60-V63 WeakPolarHBondContact O-CB 3.32Å; D60-V63 PolarHBondContact O-N 3.45Å; V63-L65 HydrophobicContact CG1-CD1 3.74Å; V63-L65 HydrophobicContact CG1-CD2 4.4Å; V63-L65 HydrophobicContact CG1-CG 3.66Å; V63-Y74 HydrophobicContact CG1-CD2 4.43Å; V63-Y74 HydrophobicContact CG1-CE1 4.22Å; V63-Y74 HydrophobicContact CG1-CE2 3.96Å; V63-Y74 HydrophobicContact CG2-CE2 4.22Å
64K98.7Very high98.6Very high86 Ų8642.2 Ų42.237%0.37423%0.23SC..EExtended strand (participates in β ladder)trans-127.887.7-177.5-64.9-178.7-173.8179.50110.8G49 L50 I59 D62G49-K64 WeakPolarHBondContact O-CD 3.27Å; L50-K64 HydrophobicContact CD2-CB 4.2Å; I59-K64 HydrophobicContact CG1-CG 4.34Å; I59-K64 HydrophobicContact CG2-CG 4.25Å; D62-K64 PolarHBondContact O-N 3.49Å
65L98.9Very high98.6Very high47 Ų4738.9 Ų38.925%0.24621%0.213CC..EExtended strand (participates in β ladder)trans-99.6149-172.2-65.1172.9000112.1Y57 Y58 V63 I71 Y74Y57-L65 CarbonylContact C-O 3.57Å; Y57-L65 WeakPolarHBondContact CA-O 3.41Å; Y58-L65 PolarHBondContact N-O 3.41Å; Y58-L65 PolarHBondContact O-N 3.11Å; V63-L65 HydrophobicContact CG1-CD1 3.74Å; V63-L65 HydrophobicContact CG1-CD2 4.4Å; V63-L65 HydrophobicContact CG1-CG 3.66Å; L65-I71 HydrophobicContact CB-CG1 3.91Å; L65-Y74 HydrophobicContact CD1-CD1 4.09Å; L65-Y74 HydrophobicContact CD1-CD2 4.14Å; L65-Y74 HydrophobicContact CD1-CG 3.68Å
66T98.9Very high98.6Very high13 Ų1338.2 Ų38.28%0.0821%0.209CC..EExtended strand (participates in β ladder)trans-122.3-171.2156.765.60000108.4L50 F52 N54 P56L50-T66 HydrophobicContact CB-CG2 4.27Å; L50-T66 HydrophobicContact CD1-CG2 3.92Å; L50-T66 HydrophobicContact CD2-CG2 4.03Å; L50-T66 HydrophobicContact CG-CG2 4.29Å; F52-T66 WeakPolarHBondContact O-CB 3.41Å; F52-T66 WeakPolarHBondContact O-CG2 3.31Å; F52-T66 PolarHBondContact O-OG1 3.34Å; N54-T66 HydrophobicContact CB-CG2 4.31Å; P56-T66 WeakPolarHBondContact O-CA 3.07Å
67Q98.8Very high98.6Very high116 Ų11642.6 Ų42.654%0.54223%0.232SC..SBendtrans67.4112.8-169.6-59.1-69.3-14.100112.3M69 A70 I71Q67-M69 VanDerWaalsContact C-N 3.26Å; Q67-M69 PolarHBondContact O-N 2.96Å; Q67-M69 VanDerWaalsContact O-N 3.17Å; Q67-A70 HydrophobicContact CB-CB 4.01Å; Q67-A70 PolarHBondContact O-N 2.83Å; Q67-I71 WeakPolarHBondContact O-CG1 3.44Å; Q67-I71 PolarHBondContact O-N 2.97Å
68S98.9Very high98.5Very high8 Ų846.9 Ų46.96%0.05625%0.251CS..Hα-helixtrans-53.7-41.5-175.8510000113.2I71 L72S68-I71 PolarHBondContact O-N 3.3Å; S68-L72 WeakPolarHBondContact O-CB 3.39Å; S68-L72 PolarHBondContact O-N 3.01Å
69M98.9Very high98.5Very high33 Ų3349.4 Ų49.416%0.16326%0.263CS..Hα-helixtrans-70.3-35.3178.9-68.4-53.3-5800113.1Q67 L72 R73 E96 L100 M154Q67-M69 VanDerWaalsContact C-N 3.26Å; Q67-M69 PolarHBondContact O-N 2.96Å; Q67-M69 VanDerWaalsContact O-N 3.17Å; M69-L72 HydrophobicContact CE-CD2 4.39Å; M69-L72 HydrophobicContact SD-CD2 4.39Å; M69-R73 VanDerWaalsContact O-CB 3.22Å; M69-R73 WeakPolarHBondContact O-CB 3.33Å; M69-R73 WeakPolarHBondContact O-CG 3.39Å; M69-R73 PolarHBondContact O-N 3.39Å; M69-E96 HydrophobicContact CE-CB 4Å; M69-E96 HydrophobicContact CE-CG 3.81Å; M69-E96 WeakPolarHBondContact CE-OE2 3.35Å; M69-L100 HydrophobicContact CE-CD1 4.49Å; M69-L100 HydrophobicContact CG-CD1 4.04Å; M69-L100 HydrophobicContact SD-CD1 4.08Å; M69-L100 HydrophobicContact SD-CD2 4.2Å; M69-M154 HydrophobicContact CE-CE 3.65Å; M69-M154 HydrophobicContact CE-SD 3.77Å; M69-M154 HydrophobicContact SD-CE 3.66Å; M69-M154 HydrophobicContact SD-SD 4.19Å
70A98.9Very high98.5Very high44 Ų4454.9 Ų54.936%0.36429%0.293SS..Hα-helixtrans-66.6-41.7175.500000110.7Q67 Y74Q67-A70 HydrophobicContact CB-CB 4.01Å; Q67-A70 PolarHBondContact O-N 2.83Å; A70-Y74 VanDerWaalsContact O-CB 3.27Å; A70-Y74 WeakPolarHBondContact O-CB 3.46Å; A70-Y74 PolarHBondContact O-N 2.86Å
71I98.9Very high98.5Very high0 Ų054.7 Ų54.70%029%0.291CS..Hα-helixtrans-61.9-51.8175.6-64.1166.5000110.7L5 T17 P56 Y58 L65 Q67 S68 R73 Y74 I75L5-I71 HydrophobicContact CD1-CG2 4.32Å; T17-I71 HydrophobicContact CG2-CG2 3.93Å; P56-I71 HydrophobicContact CB-CD1 4.07Å; P56-I71 HydrophobicContact CG-CD1 4.01Å; Y58-I71 HydrophobicContact CD2-CG2 4.11Å; Y58-I71 HydrophobicContact CG-CG2 3.88Å; L65-I71 HydrophobicContact CB-CG1 3.91Å; Q67-I71 WeakPolarHBondContact O-CG1 3.44Å; Q67-I71 PolarHBondContact O-N 2.97Å; S68-I71 PolarHBondContact O-N 3.3Å; I71-R73 VanDerWaalsContact C-N 3.33Å; I71-R73 PolarHBondContact O-N 3.21Å; I71-Y74 PolarHBondContact O-N 3.34Å; I71-I75 HydrophobicContact CG2-CD1 3.98Å; I71-I75 WeakPolarHBondContact O-CG1 3.48Å; I71-I75 PolarHBondContact O-N 2.9Å; I71-I75 VanDerWaalsContact O-N 3.09Å
72L98.9Very high98.6Very high3 Ų352.3 Ų52.32%0.01626%0.263CS..Hα-helixtrans-59.2-45.5-179.7-176.465.7000111.3P16 L20 S68 M69 I75 A76 H150 M154P16-L72 HydrophobicContact CB-CD2 4.26Å; L20-L72 HydrophobicContact CB-CD1 4.01Å; L20-L72 HydrophobicContact CD2-CD1 3.57Å; L20-L72 HydrophobicContact CD2-CG 4.44Å; L20-L72 HydrophobicContact CG-CD1 4.44Å; S68-L72 WeakPolarHBondContact O-CB 3.39Å; S68-L72 PolarHBondContact O-N 3.01Å; M69-L72 HydrophobicContact CE-CD2 4.39Å; M69-L72 HydrophobicContact SD-CD2 4.39Å; L72-I75 PolarHBondContact O-N 2.87Å; L72-A76 WeakPolarHBondContact O-CB 3.37Å; L72-A76 PolarHBondContact O-N 3.38Å; L72-H150 HydrophobicContact CD1-CB 4.05Å; L72-H150 HydrophobicContact CD2-CB 4.24Å; L72-H150 HydrophobicContact CG-CB 3.97Å; L72-M154 HydrophobicContact CD2-CG 3.65Å; L72-M154 HydrophobicContact CD2-SD 3.66Å
73R98.9Very high98.6Very high65 Ų6545.8 Ų45.825%0.24523%0.232CC..Hα-helixtrans-68.1-36.4178.6-72.2176.863.396.92.1112.6M69 I71 A76 D77 L82 S93 E96M69-R73 VanDerWaalsContact O-CB 3.22Å; M69-R73 WeakPolarHBondContact O-CB 3.33Å; M69-R73 WeakPolarHBondContact O-CG 3.39Å; M69-R73 PolarHBondContact O-N 3.39Å; I71-R73 VanDerWaalsContact C-N 3.33Å; I71-R73 PolarHBondContact O-N 3.21Å; R73-A76 PolarHBondContact O-N 2.94Å; R73-D77 VanDerWaalsContact O-CB 3.31Å; R73-D77 WeakPolarHBondContact O-CB 3.48Å; R73-D77 PolarHBondContact O-N 2.98Å; R73-L82 HydrophobicContact CB-CD1 4.49Å; R73-L82 HydrophobicContact CB-CD2 4.05Å; R73-L82 HydrophobicContact CG-CD2 4.08Å; R73-S93 PolarHBondContact NH1-OG 2.93Å; R73-S93 VanDerWaalsContact NH1-OG 3.11Å; R73-E96 IonicContact CZ-OE1 2.6Å; R73-E96 VanDerWaalsContact NH1-CD 3.27Å; R73-E96 IonicContact NH1-OE1 2.6Å; R73-E96 PolarHBondContact NH1-OE1 3.22Å; R73-E96 IonicContact NH1-OE2 3.13Å; R73-E96 PolarHBondContact NH1-OE2 3.26Å; R73-E96 VanDerWaalsContact NH1-OE2 3.1Å
74Y98.9Very high98.5Very high57 Ų5747.4 Ų47.422%0.22426%0.256CS..Hα-helixtrans-60.9-45.6174.7170.6-101.1000111.6Y58 D60 V63 L65 A70 I71 D77 K78Y58-Y74 HydrophobicContact CD1-CD1 4.24Å; Y58-Y74 HydrophobicContact CD1-CE1 4.3Å; Y58-Y74 AromaticContact CE1-CD1 3.95Å; Y58-Y74 HydrophobicContact CE1-CD1 3.95Å; Y58-Y74 AromaticContact CE1-CE1 3.75Å; Y58-Y74 HydrophobicContact CE1-CE1 3.75Å; D60-Y74 HydrophobicContact CB-CE1 4.39Å; D60-Y74 PolarHBondContact OD2-OH 3Å; D60-Y74 VanDerWaalsContact OD2-OH 3.05Å; V63-Y74 HydrophobicContact CG1-CD2 4.43Å; V63-Y74 HydrophobicContact CG1-CE1 4.22Å; V63-Y74 HydrophobicContact CG1-CE2 3.96Å; V63-Y74 HydrophobicContact CG2-CE2 4.22Å; L65-Y74 HydrophobicContact CD1-CD1 4.09Å; L65-Y74 HydrophobicContact CD1-CD2 4.14Å; L65-Y74 HydrophobicContact CD1-CG 3.68Å; A70-Y74 VanDerWaalsContact O-CB 3.27Å; A70-Y74 WeakPolarHBondContact O-CB 3.46Å; A70-Y74 PolarHBondContact O-N 2.86Å; I71-Y74 PolarHBondContact O-N 3.34Å; Y74-D77 PolarHBondContact O-N 3.19Å; Y74-K78 HydrophobicContact CD1-CD 4.4Å; Y74-K78 HydrophobicContact CE1-CD 3.66Å; Y74-K78 HydrophobicContact CE1-CG 4.4Å; Y74-K78 HydrophobicContact CE2-CD 4.29Å; Y74-K78 HydrophobicContact CE2-CG 4.35Å; Y74-K78 PolarHBondContact O-N 3.28Å
75I98.8Very high98.5Very high3 Ų346 Ų462%0.01526%0.256CS..Hα-helixtrans-63.2-44.1176.8-66157.8000110.3T17 L20 L21 L24 Y58 I71 L72 D77 H79T17-I75 HydrophobicContact CG2-CD1 3.5Å; L20-I75 HydrophobicContact CD2-CB 4.06Å; L20-I75 HydrophobicContact CD2-CG2 3.69Å; L20-I75 HydrophobicContact CG-CG2 4.04Å; L21-I75 HydrophobicContact CD1-CD1 4.19Å; L21-I75 HydrophobicContact CD2-CD1 3.9Å; L21-I75 HydrophobicContact CD2-CG1 4.27Å; L21-I75 HydrophobicContact CD2-CG2 4Å; L21-I75 HydrophobicContact CG-CD1 4.03Å; L21-I75 HydrophobicContact CG-CG2 4.49Å; L24-I75 HydrophobicContact CD1-CG2 3.75Å; Y58-I75 HydrophobicContact CD2-CD1 4.5Å; Y58-I75 HydrophobicContact CE1-CG1 4.48Å; Y58-I75 HydrophobicContact CE2-CD1 4.08Å; I71-I75 HydrophobicContact CG2-CD1 3.98Å; I71-I75 WeakPolarHBondContact O-CG1 3.48Å; I71-I75 PolarHBondContact O-N 2.9Å; I71-I75 VanDerWaalsContact O-N 3.09Å; L72-I75 PolarHBondContact O-N 2.87Å; I75-D77 VanDerWaalsContact C-N 3.35Å; I75-D77 PolarHBondContact O-N 3.26Å; I75-H79 PolarHBondContact O-ND1 3.42Å
76A98.8Very high98.5Very high0 Ų048.3 Ų48.30%027%0.274CS..Hα-helixtrans-61.5-40.2175.200000112.5L20 L72 R73 H79 N80 M81 L82 H150L20-A76 HydrophobicContact CD2-CB 4.22Å; L72-A76 WeakPolarHBondContact O-CB 3.37Å; L72-A76 PolarHBondContact O-N 3.38Å; R73-A76 PolarHBondContact O-N 2.94Å; A76-H79 CarbonylContact O-C 3.48Å; A76-H79 PolarHBondContact O-N 2.99Å; A76-H79 VanDerWaalsContact O-N 3.11Å; A76-N80 PolarHBondContact O-N 3.26Å; A76-M81 HydrophobicContact CB-CB 4.01Å; A76-M81 WeakPolarHBondContact O-CB 3.22Å; A76-M81 PolarHBondContact O-N 3.02Å; A76-L82 HydrophobicContact CB-CD2 3.83Å; A76-L82 HydrophobicContact CB-CG 4.4Å; A76-H150 HydrophobicContact CB-CB 4.24Å; A76-H150 WeakPolarHBondContact CB-ND1 3.42Å
77D98.7Very high98.5Very high93 Ų9354.8 Ų54.850%0.49730%0.302SS..Hα-helixtrans-66.9-42.7-178.9-157.523.7000112.1R73 Y74 I75 H79 N80 L82R73-D77 VanDerWaalsContact O-CB 3.31Å; R73-D77 WeakPolarHBondContact O-CB 3.48Å; R73-D77 PolarHBondContact O-N 2.98Å; Y74-D77 PolarHBondContact O-N 3.19Å; I75-D77 VanDerWaalsContact C-N 3.35Å; I75-D77 PolarHBondContact O-N 3.26Å; D77-H79 PolarHBondContact O-N 3.29Å; D77-N80 PolarHBondContact O-N 3.49Å; D77-L82 HydrophobicContact CB-CD1 3.57Å; D77-L82 HydrophobicContact CB-CG 3.89Å
78K98.3Very high98.4Very high98 Ų9852.6 Ų52.643%0.42629%0.291SS..Hα-helixtrans-54.4-23.1172-77.1-173.868.5179.70113.2D60 Y74D60-K78 IonicContact OD2-NZ 3.22Å; D60-K78 PolarHBondContact OD2-NZ 2.93Å; Y74-K78 HydrophobicContact CD1-CD 4.4Å; Y74-K78 HydrophobicContact CE1-CD 3.66Å; Y74-K78 HydrophobicContact CE1-CG 4.4Å; Y74-K78 HydrophobicContact CE2-CD 4.29Å; Y74-K78 HydrophobicContact CE2-CG 4.35Å; Y74-K78 PolarHBondContact O-N 3.28Å
79H98.4Very high98.4Very high57 Ų5756.9 Ų56.926%0.26431%0.306SS..THydrogen-bonded Turntrans-108.313.1-179.2-6581.3000113.3L24 E26 I75 A76 D77 M81L24-H79 HydrophobicContact CD1-CB 4.4Å; L24-H79 HydrophobicContact CD2-CB 4.14Å; E26-H79 IonicContact OE1-CE1 3.9Å; E26-H79 PolarHBondContact OE1-CE1 3.04Å; E26-H79 IonicContact OE1-NE2 2.86Å; E26-H79 PolarHBondContact OE1-NE2 3.07Å; E26-H79 VanDerWaalsContact OE1-NE2 3.13Å; I75-H79 PolarHBondContact O-ND1 3.42Å; A76-H79 CarbonylContact O-C 3.48Å; A76-H79 PolarHBondContact O-N 2.99Å; A76-H79 VanDerWaalsContact O-N 3.11Å; D77-H79 PolarHBondContact O-N 3.29Å; H79-M81 HydrophobicContact CB-CG 3.96Å; H79-M81 HydrophobicContact CB-SD 3.9Å; H79-M81 PolarHBondContact O-N 2.91Å
80N98Very high98.4Very high150 Ų15058.2 Ų58.280%0.80232%0.322SS*.THydrogen-bonded Turntrans5733.5-178.4-57.2-68.9000113.7A76 D77A76-N80 PolarHBondContact O-N 3.26Å; D77-N80 PolarHBondContact O-N 3.49Å
81M98.5Very high98.4Very high24 Ų2458.5 Ų58.512%0.11832%0.316CS..  trans-99.41.7-176.7-60.717569.200113.9L20 Y23 L24 A76 H79 V148L20-M81 HydrophobicContact CD1-CE 3.92Å; L20-M81 HydrophobicContact CD1-SD 4.12Å; Y23-M81 HydrophobicContact CE1-CE 4.4Å; L24-M81 HydrophobicContact CD2-SD 3.84Å; A76-M81 HydrophobicContact CB-CB 4.01Å; A76-M81 WeakPolarHBondContact O-CB 3.22Å; A76-M81 PolarHBondContact O-N 3.02Å; H79-M81 HydrophobicContact CB-CG 3.96Å; H79-M81 HydrophobicContact CB-SD 3.9Å; H79-M81 PolarHBondContact O-N 2.91Å; M81-V148 WeakPolarHBondContact CE-O 3.32Å
82L98.2Very high98.4Very high13 Ų1358.6 Ų58.67%0.06832%0.316CS..SBendtrans-80.8-13.6177.8-70.3-167.2000114.2R73 A76 D77 R89 I92R73-L82 HydrophobicContact CB-CD1 4.49Å; R73-L82 HydrophobicContact CB-CD2 4.05Å; R73-L82 HydrophobicContact CG-CD2 4.08Å; A76-L82 HydrophobicContact CB-CD2 3.83Å; A76-L82 HydrophobicContact CB-CG 4.4Å; D77-L82 HydrophobicContact CB-CD1 3.57Å; D77-L82 HydrophobicContact CB-CG 3.89Å; L82-R89 WeakPolarHBondContact O-CA 3.42Å; L82-R89 VanDerWaalsContact O-CG 3.25Å; L82-R89 WeakPolarHBondContact O-CG 3.27Å; L82-I92 VanDerWaalsContact C-CD1 3.49Å; L82-I92 VanDerWaalsContact O-CD1 3.28Å; L82-I92 WeakPolarHBondContact O-CD1 3.5Å
83G97.3Very high98.4Very high14 Ų1460.6 Ų60.614%0.14433%0.331CS..  trans110.4138.2-178.400000113.4C85 E88 R89G83-C85 PolarHBondContact O-N 3.4Å; G83-E88 WeakPolarHBondContact CA-OE2 3.49Å; G83-R89 WeakPolarHBondContact O-CG 3.37Å; G83-R89 PolarHBondContact O-NH1 3.09Å
84G97.1Very high98.4Very high71 Ų7163.5 Ų63.573%0.73235%0.348SS*.SBendtrans-78.8-16.3-171.300000114.9E88G84-E88 PolarHBondContact N-OE2 2.94Å
85C98.1Very high98.3Very high56 Ų5661.3 Ų61.338%0.37834%0.341SS..SBendtrans-140.5165.6179.869.30000112.2G83 K87 E88 R89G83-C85 PolarHBondContact O-N 3.4Å; C85-K87 VanDerWaalsContact C-N 3.25Å; C85-K87 PolarHBondContact O-N 3.37Å; C85-E88 PolarHBondContact O-N 3.2Å; C85-E88 PolarHBondContact SG-N 3.26Å; C85-R89 WeakPolarHBondContact O-CG 3.49Å; C85-R89 PolarHBondContact O-N 3.04Å
86P98.7Very high98.3Very high97 Ų9762 Ų6263%0.6334%0.344SS*.Hα-helixtrans-54.7-39179.4-27.635.6000113.8A90P86-A90 WeakPolarHBondContact O-CB 3.35Å; P86-A90 PolarHBondContact O-N 2.76Å
87K98.5Very high98.3Very high149 Ų14963.4 Ų63.465%0.64836%0.359SS*.Hα-helixtrans-61.8-51.3177.6179.6-179.5172.1-175.70111.4C85 R89 A90 E91C85-K87 VanDerWaalsContact C-N 3.25Å; C85-K87 PolarHBondContact O-N 3.37Å; K87-R89 PolarHBondContact O-N 3.5Å; K87-A90 WeakPolarHBondContact O-CB 3.33Å; K87-A90 PolarHBondContact O-N 3.36Å; K87-E91 WeakPolarHBondContact CE-OE1 3.24Å; K87-E91 PolarHBondContact O-N 3.29Å
88E97.9Very high98.3Very high69 Ų6960.4 Ų60.432%0.32235%0.347SS..Hα-helixtrans-65.6-39.9-179.2-171.7176.6-152.300112G83 G84 C85 A90 E91 I92 N144G83-E88 WeakPolarHBondContact CA-OE2 3.49Å; G84-E88 PolarHBondContact N-OE2 2.94Å; C85-E88 PolarHBondContact O-N 3.2Å; C85-E88 PolarHBondContact SG-N 3.26Å; E88-A90 VanDerWaalsContact C-N 3.26Å; E88-A90 PolarHBondContact O-N 3.42Å; E88-E91 PolarHBondContact O-N 3.42Å; E88-I92 HydrophobicContact CG-CD1 4.19Å; E88-I92 PolarHBondContact O-N 2.81Å; E88-N144 PolarHBondContact OE1-ND2 3.22Å
89R98.6Very high98.4Very high99 Ų9955.8 Ų55.837%0.37433%0.327SS..Hα-helixtrans-60.2-36.5173.1-73.1-169.2-73.1-86.89.3112.6L82 G83 C85 K87 S93L82-R89 WeakPolarHBondContact O-CA 3.42Å; L82-R89 VanDerWaalsContact O-CG 3.25Å; L82-R89 WeakPolarHBondContact O-CG 3.27Å; G83-R89 WeakPolarHBondContact O-CG 3.37Å; G83-R89 PolarHBondContact O-NH1 3.09Å; C85-R89 WeakPolarHBondContact O-CG 3.49Å; C85-R89 PolarHBondContact O-N 3.04Å; K87-R89 PolarHBondContact O-N 3.5Å; R89-S93 WeakPolarHBondContact O-CB 3.29Å; R89-S93 PolarHBondContact O-N 3.3Å; R89-S93 PolarHBondContact O-OG 2.92Å
90A98.6Very high98.4Very high60 Ų6054.6 Ų54.650%0.49632%0.322SS..Hα-helixtrans-70.8-41175.300000111.4P86 K87 E88 S93 M94P86-A90 WeakPolarHBondContact O-CB 3.35Å; P86-A90 PolarHBondContact O-N 2.76Å; K87-A90 WeakPolarHBondContact O-CB 3.33Å; K87-A90 PolarHBondContact O-N 3.36Å; E88-A90 VanDerWaalsContact C-N 3.26Å; E88-A90 PolarHBondContact O-N 3.42Å; A90-S93 PolarHBondContact O-N 3.01Å; A90-M94 WeakPolarHBondContact O-CB 3.47Å; A90-M94 PolarHBondContact O-N 3.23Å
91E98.1Very high98.4Very high51 Ų5152.3 Ų52.324%0.23831%0.31CS..Hα-helixtrans-61.2-45.4174.7-72.2-174-152.300111.9K87 E88 M94 L95 R136K87-E91 WeakPolarHBondContact CE-OE1 3.24Å; K87-E91 PolarHBondContact O-N 3.29Å; E88-E91 PolarHBondContact O-N 3.42Å; E91-M94 WeakPolarHBondContact O-CB 3.26Å; E91-M94 PolarHBondContact O-N 3.36Å; E91-L95 WeakPolarHBondContact O-CG 3.28Å; E91-L95 PolarHBondContact O-N 3.2Å; E91-R136 IonicContact OE2-NH1 3.58Å; E91-R136 IonicContact OE2-NH2 3.01Å; E91-R136 PolarHBondContact OE2-NH2 2.96Å
92I98.5Very high98.4Very high1 Ų151.2 Ų51.21%0.00530%0.304CS..Hα-helixtrans-62.5-45.2176.5-73.7167.2000111L82 E88 M94 L95 E96 T149 P151L82-I92 VanDerWaalsContact C-CD1 3.49Å; L82-I92 VanDerWaalsContact O-CD1 3.28Å; L82-I92 WeakPolarHBondContact O-CD1 3.5Å; E88-I92 HydrophobicContact CG-CD1 4.19Å; E88-I92 PolarHBondContact O-N 2.81Å; I92-M94 VanDerWaalsContact C-N 3.28Å; I92-M94 PolarHBondContact O-N 2.92Å; I92-L95 WeakPolarHBondContact O-CB 3.45Å; I92-L95 PolarHBondContact O-N 3.44Å; I92-E96 WeakPolarHBondContact O-CG 3.41Å; I92-E96 PolarHBondContact O-N 3.04Å; I92-T149 HydrophobicContact CD1-CG2 4.32Å; I92-P151 HydrophobicContact CG2-CG 4.01Å
93S98.7Very high98.5Very high45 Ų4551.2 Ų51.232%0.31530%0.303SS..Hα-helixtrans-64.2-32.9176.9-52.90000112.6R73 R89 A90 E96 G97R73-S93 PolarHBondContact NH1-OG 2.93Å; R73-S93 VanDerWaalsContact NH1-OG 3.11Å; R89-S93 WeakPolarHBondContact O-CB 3.29Å; R89-S93 PolarHBondContact O-N 3.3Å; R89-S93 PolarHBondContact O-OG 2.92Å; A90-S93 PolarHBondContact O-N 3.01Å; S93-E96 WeakPolarHBondContact O-CB 3.46Å; S93-E96 PolarHBondContact O-N 3.13Å; S93-G97 PolarHBondContact O-N 3.06Å
94M98.7Very high98.5Very high126 Ų12654.9 Ų54.962%0.62131%0.314SS*.Hα-helixtrans-67.5-41.3174.2-178.4173.96400111.5A90 E91 I92 G97 A98A90-M94 WeakPolarHBondContact O-CB 3.47Å; A90-M94 PolarHBondContact O-N 3.23Å; E91-M94 WeakPolarHBondContact O-CB 3.26Å; E91-M94 PolarHBondContact O-N 3.36Å; I92-M94 VanDerWaalsContact C-N 3.28Å; I92-M94 PolarHBondContact O-N 2.92Å; M94-G97 PolarHBondContact O-N 3.38Å; M94-A98 PolarHBondContact O-N 3.26Å
95L98.7Very high98.6Very high12 Ų1251.7 Ų51.76%0.06328%0.281CS..Hα-helixtrans-60.6-45.7172.8-68167.5000111E91 I92 G97 A98 I99 R136 L143 N144 P151E91-L95 WeakPolarHBondContact O-CG 3.28Å; E91-L95 PolarHBondContact O-N 3.2Å; I92-L95 WeakPolarHBondContact O-CB 3.45Å; I92-L95 PolarHBondContact O-N 3.44Å; L95-G97 PolarHBondContact O-N 3.43Å; L95-A98 PolarHBondContact O-N 3.25Å; L95-I99 VanDerWaalsContact O-CD1 3.29Å; L95-I99 WeakPolarHBondContact O-CD1 3.26Å; L95-I99 WeakPolarHBondContact O-CG1 3.34Å; L95-I99 PolarHBondContact O-N 2.85Å; L95-I99 VanDerWaalsContact O-N 3.09Å; L95-R136 HydrophobicContact CD2-CG 4.44Å; L95-L143 HydrophobicContact CD1-CB 3.84Å; L95-L143 HydrophobicContact CD2-CB 4.21Å; L95-N144 HydrophobicContact CD1-CB 4.43Å; L95-P151 HydrophobicContact CB-CB 3.98Å; L95-P151 HydrophobicContact CB-CG 4.19Å
96E98.9Very high98.6Very high16 Ų1649.1 Ų49.18%0.07526%0.263CS..Hα-helixtrans-53.7-52175.1-68.3168.1-164.200111.5M69 R73 I92 S93 A98 I99 L100 H150 P151 M154M69-E96 HydrophobicContact CE-CB 4Å; M69-E96 HydrophobicContact CE-CG 3.81Å; M69-E96 WeakPolarHBondContact CE-OE2 3.35Å; R73-E96 IonicContact CZ-OE1 2.6Å; R73-E96 VanDerWaalsContact NH1-CD 3.27Å; R73-E96 IonicContact NH1-OE1 2.6Å; R73-E96 PolarHBondContact NH1-OE1 3.22Å; R73-E96 IonicContact NH1-OE2 3.13Å; R73-E96 PolarHBondContact NH1-OE2 3.26Å; R73-E96 VanDerWaalsContact NH1-OE2 3.1Å; I92-E96 WeakPolarHBondContact O-CG 3.41Å; I92-E96 PolarHBondContact O-N 3.04Å; S93-E96 WeakPolarHBondContact O-CB 3.46Å; S93-E96 PolarHBondContact O-N 3.13Å; E96-A98 PolarHBondContact O-N 2.9Å; E96-I99 PolarHBondContact O-N 3.13Å; E96-L100 VanDerWaalsContact O-CG 3.28Å; E96-L100 WeakPolarHBondContact O-CG 3.18Å; E96-L100 PolarHBondContact O-N 2.92Å; E96-H150 IonicContact OE1-CD2 2.63Å; E96-H150 IonicContact OE1-CE1 3.04Å; E96-H150 PolarHBondContact OE1-CE1 3.49Å; E96-H150 VanDerWaalsContact OE1-CE1 3.27Å; E96-H150 IonicContact OE1-NE2 2.9Å; E96-H150 PolarHBondContact OE1-NE2 2.96Å; E96-P151 HydrophobicContact CG-CG 4.09Å; E96-M154 HydrophobicContact CB-CE 4.14Å; E96-M154 HydrophobicContact CB-SD 4.39Å; E96-M154 HydrophobicContact CG-CE 4.4Å; E96-M154 HydrophobicContact CG-SD 4.02Å
97G98.7Very high98.6Very high31 Ų3145.7 Ų45.732%0.3224%0.242SC..Hα-helixtrans-58.3-49.9-178.700000112.5S93 M94 L95 I99 L100 D101S93-G97 PolarHBondContact O-N 3.06Å; M94-G97 PolarHBondContact O-N 3.38Å; L95-G97 PolarHBondContact O-N 3.43Å; G97-I99 VanDerWaalsContact C-N 3.26Å; G97-I99 PolarHBondContact O-N 3.49Å; G97-L100 WeakPolarHBondContact O-CB 3.33Å; G97-L100 PolarHBondContact O-N 3.41Å; G97-L100 VanDerWaalsContact O-N 3.1Å; G97-D101 PolarHBondContact O-N 2.97Å
98A98.8Very high98.6Very high29 Ų2947.4 Ų47.424%0.2424%0.244CC..Hα-helixtrans-62-33.5-179.600000112.7M94 L95 E96 F133M94-A98 PolarHBondContact O-N 3.26Å; L95-A98 PolarHBondContact O-N 3.25Å; E96-A98 PolarHBondContact O-N 2.9Å; A98-F133 HydrophobicContact CB-CE1 4.31Å; A98-F133 HydrophobicContact CB-CE2 4.42Å; A98-F133 HydrophobicContact CB-CZ 3.63Å
99I98.9Very high98.6Very high1 Ų145 Ų451%0.00523%0.234CC..Hα-helixtrans-74-37.8176.9-63.5160.8000110.6L95 E96 G97 D101 I102 R103 F133 L143 P151 M154 L155 A158L95-I99 VanDerWaalsContact O-CD1 3.29Å; L95-I99 WeakPolarHBondContact O-CD1 3.26Å; L95-I99 WeakPolarHBondContact O-CG1 3.34Å; L95-I99 PolarHBondContact O-N 2.85Å; L95-I99 VanDerWaalsContact O-N 3.09Å; E96-I99 PolarHBondContact O-N 3.13Å; G97-I99 VanDerWaalsContact C-N 3.26Å; G97-I99 PolarHBondContact O-N 3.49Å; I99-D101 VanDerWaalsContact C-N 3.25Å; I99-D101 PolarHBondContact O-N 3.44Å; I99-I102 PolarHBondContact O-N 3.09Å; I99-R103 PolarHBondContact O-N 3.41Å; I99-F133 HydrophobicContact CB-CZ 4.34Å; I99-F133 HydrophobicContact CD1-CE1 4.25Å; I99-F133 HydrophobicContact CG1-CE1 3.53Å; I99-F133 HydrophobicContact CG1-CE2 4.46Å; I99-F133 HydrophobicContact CG1-CZ 3.46Å; I99-F133 VanDerWaalsContact CG1-CZ 3.46Å; I99-L143 HydrophobicContact CD1-CD1 3.84Å; I99-P151 HydrophobicContact CD1-CB 3.75Å; I99-P151 VanDerWaalsContact CD1-O 3.24Å; I99-P151 WeakPolarHBondContact CD1-O 3.24Å; I99-M154 HydrophobicContact CB-CB 4.44Å; I99-M154 HydrophobicContact CB-CE 4.45Å; I99-M154 HydrophobicContact CD1-CB 4.09Å; I99-M154 HydrophobicContact CG2-CB 3.7Å; I99-M154 HydrophobicContact CG2-CE 4.47Å; I99-L155 HydrophobicContact CD1-CB 3.89Å; I99-L155 HydrophobicContact CG1-CB 4.15Å; I99-L155 HydrophobicContact CG1-CD1 4.44Å; I99-A158 HydrophobicContact CG2-CB 4.09Å
100L98.8Very high98.6Very high33 Ų3340.3 Ų40.317%0.17322%0.216CC..Hα-helixtrans-64-30.8175.6-70.8175.1000111.9M69 E96 G97 I102 R103 Y104 M154M69-L100 HydrophobicContact CE-CD1 4.49Å; M69-L100 HydrophobicContact CG-CD1 4.04Å; M69-L100 HydrophobicContact SD-CD1 4.08Å; M69-L100 HydrophobicContact SD-CD2 4.2Å; E96-L100 VanDerWaalsContact O-CG 3.28Å; E96-L100 WeakPolarHBondContact O-CG 3.18Å; E96-L100 PolarHBondContact O-N 2.92Å; G97-L100 WeakPolarHBondContact O-CB 3.33Å; G97-L100 PolarHBondContact O-N 3.41Å; G97-L100 VanDerWaalsContact O-N 3.1Å; L100-I102 VanDerWaalsContact C-N 3.29Å; L100-I102 PolarHBondContact O-N 2.96Å; L100-R103 PolarHBondContact O-N 3.38Å; L100-Y104 HydrophobicContact CB-CD2 3.92Å; L100-Y104 HydrophobicContact CB-CE2 3.98Å; L100-Y104 HydrophobicContact CD1-CE2 4.11Å; L100-Y104 HydrophobicContact CD2-CD2 4.33Å; L100-Y104 HydrophobicContact CD2-CE1 4.25Å; L100-Y104 HydrophobicContact CD2-CE2 3.82Å; L100-Y104 HydrophobicContact CG-CE2 4.18Å; L100-Y104 WeakPolarHBondContact O-CA 3.33Å; L100-Y104 WeakPolarHBondContact O-CB 3.28Å; L100-Y104 PolarHBondContact O-N 2.62Å; L100-M154 HydrophobicContact CD1-CE 4.39Å; L100-M154 HydrophobicContact CD2-CE 3.87Å; L100-M154 HydrophobicContact CG-CE 3.79Å
101D98.7Very high98.6Very high101 Ų10142.8 Ų42.854%0.5421%0.213SC..Hα-helixtrans-59-40.9172.8-72.1-32.7000112G97 I99 G105 M129G97-D101 PolarHBondContact O-N 2.97Å; I99-D101 VanDerWaalsContact C-N 3.25Å; I99-D101 PolarHBondContact O-N 3.44Å; D101-G105 WeakPolarHBondContact O-CA 3.1Å; D101-G105 PolarHBondContact O-N 2.86Å; D101-M129 HydrophobicContact CB-SD 4.37Å
102I98.9Very high98.6Very high1 Ų143.4 Ų43.41%0.00522%0.218CC..Hα-helixtrans-68.7-55.3173.6-59.8174.1000110.1I99 L100 Y104 G105 V106 F122 L126 M129 L130 F133 A158 V162I99-I102 PolarHBondContact O-N 3.09Å; L100-I102 VanDerWaalsContact C-N 3.29Å; L100-I102 PolarHBondContact O-N 2.96Å; I102-Y104 PolarHBondContact O-N 3.06Å; I102-G105 WeakPolarHBondContact O-CA 3.3Å; I102-G105 PolarHBondContact O-N 2.6Å; I102-G105 VanDerWaalsContact O-N 3.15Å; I102-V106 PolarHBondContact O-N 2.95Å; I102-V106 VanDerWaalsContact O-N 3.07Å; I102-F122 HydrophobicContact CG2-CZ 4.4Å; I102-L126 HydrophobicContact CG1-CD1 4.48Å; I102-L126 HydrophobicContact CG2-CD1 4.02Å; I102-M129 HydrophobicContact CD1-CB 4.06Å; I102-M129 HydrophobicContact CG1-CB 3.84Å; I102-M129 HydrophobicContact CG1-CE 4.41Å; I102-M129 HydrophobicContact CG1-CG 4.44Å; I102-M129 HydrophobicContact CG1-SD 3.87Å; I102-L130 HydrophobicContact CD1-CD2 4.13Å; I102-F133 HydrophobicContact CD1-CD2 4.04Å; I102-F133 HydrophobicContact CD1-CE2 3.6Å; I102-A158 HydrophobicContact CG2-CB 4.15Å; I102-V162 HydrophobicContact CG2-CG1 3.87Å
103R98.7Very high98.6Very high13 Ų1353 Ų535%0.04926%0.259CS..Hα-helixtrans-66.9-40.5-170.1-174.162.8-169.477.1-2.2112.4I99 L100 S107 D157 A158 L203I99-R103 PolarHBondContact O-N 3.41Å; L100-R103 PolarHBondContact O-N 3.38Å; R103-S107 PolarHBondContact NH1-OG 3.07Å; R103-S107 PolarHBondContact O-N 3.43Å; R103-D157 VanDerWaalsContact CD-OD2 3.3Å; R103-D157 WeakPolarHBondContact CD-OD2 3.47Å; R103-D157 IonicContact NE-OD2 3.8Å; R103-D157 PolarHBondContact NE-OD2 3.15Å; R103-A158 HydrophobicContact CB-CB 4.42Å; R103-L203 PolarHBondContact NH2-O 2.81Å
104Y98.4Very high98.5Very high91 Ų9156.7 Ų56.736%0.35727%0.272SS..Hα-helixtrans-75.8-29.3172.5-66-29.9000112.5L13 L100 I102 V106 S107 R108L13-Y104 HydrophobicContact CD2-CE1 3.74Å; L100-Y104 HydrophobicContact CB-CD2 3.92Å; L100-Y104 HydrophobicContact CB-CE2 3.98Å; L100-Y104 HydrophobicContact CD1-CE2 4.11Å; L100-Y104 HydrophobicContact CD2-CD2 4.33Å; L100-Y104 HydrophobicContact CD2-CE1 4.25Å; L100-Y104 HydrophobicContact CD2-CE2 3.82Å; L100-Y104 HydrophobicContact CG-CE2 4.18Å; L100-Y104 WeakPolarHBondContact O-CA 3.33Å; L100-Y104 WeakPolarHBondContact O-CB 3.28Å; L100-Y104 PolarHBondContact O-N 2.62Å; I102-Y104 PolarHBondContact O-N 3.06Å; Y104-V106 VanDerWaalsContact C-N 3.29Å; Y104-V106 PolarHBondContact O-N 2.66Å; Y104-S107 PolarHBondContact O-N 2.78Å; Y104-R108 VanDerWaalsContact O-CB 3.29Å; Y104-R108 WeakPolarHBondContact O-CB 3.35Å; Y104-R108 PolarHBondContact O-N 3.41Å
105G98.6Very high98.5Very high5 Ų550.9 Ų50.95%0.05224%0.243CC..Hα-helixtrans-52.8-48.8169.200000111.5D101 I102D101-G105 WeakPolarHBondContact O-CA 3.1Å; D101-G105 PolarHBondContact O-N 2.86Å; I102-G105 WeakPolarHBondContact O-CA 3.3Å; I102-G105 PolarHBondContact O-N 2.6Å; I102-G105 VanDerWaalsContact O-N 3.15Å
106V98.7Very high98.4Very high1 Ų156.2 Ų56.21%0.00627%0.268CS..Hα-helixtrans-61.8-52.2173.4178.30000111.7I102 Y104 R108 I109 A110 F122 V161 V162 M165 F210I102-V106 PolarHBondContact O-N 2.95Å; I102-V106 VanDerWaalsContact O-N 3.07Å; Y104-V106 VanDerWaalsContact C-N 3.29Å; Y104-V106 PolarHBondContact O-N 2.66Å; V106-R108 PolarHBondContact O-N 3.29Å; V106-I109 WeakPolarHBondContact O-CG1 3.37Å; V106-I109 PolarHBondContact O-N 3.15Å; V106-A110 VanDerWaalsContact O-CB 3.28Å; V106-A110 WeakPolarHBondContact O-CB 3.41Å; V106-A110 PolarHBondContact O-N 3.3Å; V106-F122 HydrophobicContact CG2-CE1 3.76Å; V106-F122 HydrophobicContact CG2-CE2 4.22Å; V106-F122 HydrophobicContact CG2-CZ 3.48Å; V106-F122 VanDerWaalsContact CG2-CZ 3.48Å; V106-V161 HydrophobicContact CB-CG1 4.32Å; V106-V161 HydrophobicContact CG1-CG1 3.75Å; V106-V161 HydrophobicContact CG2-CG1 4.24Å; V106-V162 HydrophobicContact CG2-CG1 3.9Å; V106-M165 HydrophobicContact CB-CE 4.27Å; V106-M165 HydrophobicContact CG1-CE 3.65Å; V106-M165 HydrophobicContact CG2-CE 3.95Å; V106-F210 HydrophobicContact CG1-CD1 3.84Å; V106-F210 HydrophobicContact CG1-CE1 3.66Å
107S98.4Very high98.4Very high25 Ų2560.1 Ų60.118%0.17529%0.293CS..Hα-helixtrans-61.6-30.3-176.1-77.10000113.8R103 Y104 I109 Y111 Q204R103-S107 PolarHBondContact NH1-OG 3.07Å; R103-S107 PolarHBondContact O-N 3.43Å; Y104-S107 PolarHBondContact O-N 2.78Å; S107-I109 VanDerWaalsContact C-N 3.3Å; S107-I109 PolarHBondContact O-N 3.33Å; S107-Y111 WeakPolarHBondContact O-CD2 3.15Å; S107-Q204 PolarHBondContact OG-NE2 2.77Å; S107-Q204 VanDerWaalsContact OG-NE2 3.11Å; S107-Q204 PolarHBondContact OG-OE1 3.2Å; S107-Q204 VanDerWaalsContact OG-OE1 3.12Å
108R98.3Very high98.4Very high186 Ų18661 Ų6170%0.70229%0.29SS*.Hα-helixtrans-65.2-34179.4-164.6-175.3-45.5143.19.4112.6Y104 V106Y104-R108 VanDerWaalsContact O-CB 3.29Å; Y104-R108 WeakPolarHBondContact O-CB 3.35Å; Y104-R108 PolarHBondContact O-N 3.41Å; V106-R108 PolarHBondContact O-N 3.29Å
109I98.5Very high98.4Very high19 Ų1961.9 Ų61.910%0.09729%0.288CS..Hα-helixtrans-99.2-22.8-177.866.9169000112.7V106 S107 Y111 N112 F115 L118 F122 M165V106-I109 WeakPolarHBondContact O-CG1 3.37Å; V106-I109 PolarHBondContact O-N 3.15Å; S107-I109 VanDerWaalsContact C-N 3.3Å; S107-I109 PolarHBondContact O-N 3.33Å; I109-Y111 VanDerWaalsContact C-N 3.26Å; I109-Y111 PolarHBondContact O-N 2.6Å; I109-Y111 VanDerWaalsContact O-N 3.13Å; I109-N112 WeakPolarHBondContact O-CB 3.2Å; I109-N112 PolarHBondContact O-N 2.88Å; I109-F115 HydrophobicContact CD1-CD2 4.17Å; I109-F115 HydrophobicContact CD1-CE2 3.92Å; I109-F115 HydrophobicContact CG1-CD2 4.09Å; I109-F115 HydrophobicContact CG1-CE2 4.11Å; I109-L118 HydrophobicContact CB-CB 3.98Å; I109-L118 HydrophobicContact CB-CD1 4.25Å; I109-L118 HydrophobicContact CG2-CB 3.87Å; I109-L118 HydrophobicContact CG2-CD1 4.17Å; I109-F122 HydrophobicContact CD1-CB 3.83Å; I109-F122 HydrophobicContact CD1-CG 4.2Å; I109-M165 HydrophobicContact CD1-CE 4.34Å
110A98.6Very high98.4Very high0 Ų065.7 Ų65.70%031%0.311CS..Hα-helixtrans-63.8-22.9-169.500000115.4V106 Q204 A208 T209 F210V106-A110 VanDerWaalsContact O-CB 3.28Å; V106-A110 WeakPolarHBondContact O-CB 3.41Å; V106-A110 PolarHBondContact O-N 3.3Å; A110-Q204 HydrophobicContact CB-CG 3.98Å; A110-A208 CarbonylContact O-C 3.57Å; A110-T209 WeakPolarHBondContact O-CA 3.45Å; A110-T209 WeakPolarHBondContact O-CB 3.25Å; A110-T209 PolarHBondContact O-N 3.25Å; A110-F210 HydrophobicContact CB-CB 4.16Å; A110-F210 HydrophobicContact CB-CD1 4.22Å; A110-F210 PolarHBondContact O-N 2.79Å
111Y98.4Very high98.3Very high112 Ų11268.5 Ų68.544%0.43933%0.327SS..THydrogen-bonded Turntrans-98.9-2.1178.8-61.5-92.4000113.1S107 I109 Q204 G205 A208S107-Y111 WeakPolarHBondContact O-CD2 3.15Å; I109-Y111 VanDerWaalsContact C-N 3.26Å; I109-Y111 PolarHBondContact O-N 2.6Å; I109-Y111 VanDerWaalsContact O-N 3.13Å; Y111-Q204 HydrophobicContact CE2-CB 4.45Å; Y111-G205 PolarHBondContact OH-N 3.45Å; Y111-A208 HydrophobicContact CD1-CB 3.69Å; Y111-A208 HydrophobicContact CE1-CB 3.6Å; Y111-A208 HydrophobicContact CG-CB 4.2Å
112N98.2Very high98.3Very high64 Ų6464.4 Ų64.434%0.34230%0.304SS..  trans-78.6140.4179.6-163-42.3000109.9I109 E114 F115 L118 T209I109-N112 WeakPolarHBondContact O-CB 3.2Å; I109-N112 PolarHBondContact O-N 2.88Å; N112-E114 PolarHBondContact O-N 3.23Å; N112-E114 PolarHBondContact OD1-N 3.14Å; N112-F115 WeakPolarHBondContact O-CB 3.39Å; N112-F115 PolarHBondContact O-N 2.91Å; N112-L118 HydrophobicContact CB-CD1 3.75Å; N112-L118 WeakPolarHBondContact ND2-CD1 3.42Å; N112-T209 WeakPolarHBondContact O-CB 3.45Å; N112-T209 PolarHBondContact O-OG1 3.29Å
113K97.2Very high98.3Very high201 Ų20166 Ų6687%0.87431%0.313SS*.THydrogen-bonded Turntrans-65.1-25.9173.3-64.6-177.8-179.7-179.80112.1F115K113-F115 VanDerWaalsContact C-N 3.27Å; K113-F115 PolarHBondContact O-N 2.99Å
114E97.7Very high98.3Very high124 Ų12471.1 Ų71.158%0.57934%0.341SS*.THydrogen-bonded Turntrans-9124.8175.2-58.4178.7176.200112.5N112 E116 T117 L118N112-E114 PolarHBondContact O-N 3.23Å; N112-E114 PolarHBondContact OD1-N 3.14Å; E114-E116 VanDerWaalsContact C-N 3.25Å; E114-E116 PolarHBondContact O-N 3.09Å; E114-T117 PolarHBondContact O-N 2.87Å; E114-L118 PolarHBondContact O-N 2.83Å; E114-L118 VanDerWaalsContact O-N 3.13Å
115F98.4Very high98.2Very high4 Ų472.9 Ų72.92%0.01835%0.352CS..Hα-helixtrans-49.7-43.5-177.8165.9-101.6000112.9I109 N112 K113 T117 L118 K119 M165 T209 F210I109-F115 HydrophobicContact CD1-CD2 4.17Å; I109-F115 HydrophobicContact CD1-CE2 3.92Å; I109-F115 HydrophobicContact CG1-CD2 4.09Å; I109-F115 HydrophobicContact CG1-CE2 4.11Å; N112-F115 WeakPolarHBondContact O-CB 3.39Å; N112-F115 PolarHBondContact O-N 2.91Å; K113-F115 VanDerWaalsContact C-N 3.27Å; K113-F115 PolarHBondContact O-N 2.99Å; F115-T117 VanDerWaalsContact C-N 3.27Å; F115-T117 PolarHBondContact O-N 3.28Å; F115-L118 PolarHBondContact O-N 3.05Å; F115-K119 HydrophobicContact CE1-CB 4.38Å; F115-K119 HydrophobicContact CE1-CD 3.91Å; F115-K119 HydrophobicContact CE2-CB 4.18Å; F115-K119 HydrophobicContact CZ-CB 4.04Å; F115-K119 HydrophobicContact CZ-CD 3.81Å; F115-K119 HydrophobicContact CZ-CG 4.19Å; F115-K119 WeakPolarHBondContact O-CB 3.47Å; F115-K119 PolarHBondContact O-N 2.63Å; F115-M165 HydrophobicContact CE2-CE 3.82Å; F115-M165 HydrophobicContact CZ-CE 3.99Å; F115-M165 HydrophobicContact CZ-CG 4.3Å; F115-M165 HydrophobicContact CZ-SD 4.44Å; F115-T209 HydrophobicContact CB-CG2 3.76Å; F115-T209 HydrophobicContact CD1-CG2 4.39Å; F115-T209 HydrophobicContact CG-CG2 4.35Å; F115-F210 HydrophobicContact CD1-CB 3.94Å; F115-F210 HydrophobicContact CD2-CB 3.73Å; F115-F210 HydrophobicContact CE1-CB 3.61Å; F115-F210 AromaticContact CE1-CD2 3.92Å; F115-F210 HydrophobicContact CE1-CD2 3.92Å; F115-F210 HydrophobicContact CE1-CG 4.01Å; F115-F210 HydrophobicContact CE2-CB 3.38Å; F115-F210 HydrophobicContact CE2-CD1 4.2Å; F115-F210 HydrophobicContact CE2-CD2 4.29Å; F115-F210 AromaticContact CE2-CG 3.69Å; F115-F210 HydrophobicContact CE2-CG 3.69Å; F115-F210 HydrophobicContact CG-CB 4Å; F115-F210 HydrophobicContact CZ-CB 3.32Å; F115-F210 HydrophobicContact CZ-CD1 4.21Å; F115-F210 AromaticContact CZ-CD2 3.52Å; F115-F210 HydrophobicContact CZ-CD2 3.52Å; F115-F210 HydrophobicContact CZ-CE2 4.43Å; F115-F210 AromaticContact CZ-CG 3.39Å; F115-F210 HydrophobicContact CZ-CG 3.39Å
116E97.7Very high98.2Very high124 Ų12472.7 Ų72.758%0.57935%0.35SS*.Hα-helixtrans-62-32.7-178.6-66.7-57.6149.300113E114E114-E116 VanDerWaalsContact C-N 3.25Å; E114-E116 PolarHBondContact O-N 3.09Å
117T98Very high98.3Very high97 Ų9775.6 Ų75.660%0.59537%0.369SS*.Hα-helixtrans-73.7-49.5174.5-53.40000110.7E114 F115 K119 V120E114-T117 PolarHBondContact O-N 2.87Å; F115-T117 VanDerWaalsContact C-N 3.27Å; F115-T117 PolarHBondContact O-N 3.28Å; T117-K119 VanDerWaalsContact C-N 3.26Å; T117-K119 PolarHBondContact O-N 3.39Å; T117-V120 WeakPolarHBondContact O-CB 3.46Å; T117-V120 PolarHBondContact O-N 2.85Å
118L98.5Very high98.3Very high50 Ų5076.7 Ų76.726%0.26238%0.384SS..Hα-helixtrans-66.7-28-177.9-64.8172.7000113.1I109 N112 E114 F115 V120 D121 F122I109-L118 HydrophobicContact CB-CB 3.98Å; I109-L118 HydrophobicContact CB-CD1 4.25Å; I109-L118 HydrophobicContact CG2-CB 3.87Å; I109-L118 HydrophobicContact CG2-CD1 4.17Å; N112-L118 HydrophobicContact CB-CD1 3.75Å; N112-L118 WeakPolarHBondContact ND2-CD1 3.42Å; E114-L118 PolarHBondContact O-N 2.83Å; E114-L118 VanDerWaalsContact O-N 3.13Å; F115-L118 PolarHBondContact O-N 3.05Å; L118-V120 PolarHBondContact O-N 2.82Å; L118-D121 PolarHBondContact O-N 2.9Å; L118-F122 PolarHBondContact O-N 3.42Å
119K98.4Very high98.3Very high48 Ų4869.2 Ų69.221%0.20936%0.357CS..Hα-helixtrans-57.5-37.6174.7171.7-179.4171.5-179.80111.5F115 T117 F122 L123 M165F115-K119 HydrophobicContact CE1-CB 4.38Å; F115-K119 HydrophobicContact CE1-CD 3.91Å; F115-K119 HydrophobicContact CE2-CB 4.18Å; F115-K119 HydrophobicContact CZ-CB 4.04Å; F115-K119 HydrophobicContact CZ-CD 3.81Å; F115-K119 HydrophobicContact CZ-CG 4.19Å; F115-K119 WeakPolarHBondContact O-CB 3.47Å; F115-K119 PolarHBondContact O-N 2.63Å; T117-K119 VanDerWaalsContact C-N 3.26Å; T117-K119 PolarHBondContact O-N 3.39Å; K119-F122 PolarHBondContact O-N 3.35Å; K119-L123 HydrophobicContact CD-CD1 4.3Å; K119-L123 HydrophobicContact CG-CD1 3.75Å; K119-L123 HydrophobicContact CG-CG 4.14Å; K119-L123 WeakPolarHBondContact O-CB 3.34Å; K119-L123 WeakPolarHBondContact O-CG 3.48Å; K119-L123 PolarHBondContact O-N 2.71Å; K119-M165 HydrophobicContact CD-CG 3.99Å; K119-M165 WeakPolarHBondContact CE-O 3.47Å; K119-M165 HydrophobicContact CG-CG 4.02Å; K119-M165 HydrophobicContact CG-SD 4Å; K119-M165 PolarHBondContact NZ-O 2.85Å
120V98.4Very high98.3Very high80 Ų8068.4 Ų68.449%0.48535%0.353SS..Hα-helixtrans-60.4-48.8-179.6177.90000110.7T117 L118 F122 L123 N124T117-V120 WeakPolarHBondContact O-CB 3.46Å; T117-V120 PolarHBondContact O-N 2.85Å; L118-V120 PolarHBondContact O-N 2.82Å; V120-F122 PolarHBondContact O-N 2.97Å; V120-L123 PolarHBondContact O-N 3.17Å; V120-N124 VanDerWaalsContact O-CG 3.24Å; V120-N124 PolarHBondContact O-N 3.2Å; V120-N124 PolarHBondContact O-ND2 2.96Å
121D97.8Very high98.3Very high93 Ų9373 Ų7350%0.49737%0.373SS..Hα-helixtrans-65.2-41.5-180-69.2-23.8000112.1L118 N124 Q125L118-D121 PolarHBondContact O-N 2.9Å; D121-N124 PolarHBondContact O-N 3.3Å; D121-Q125 WeakPolarHBondContact O-CG 3.12Å; D121-Q125 PolarHBondContact O-N 3.09Å
122F98.6Very high98.3Very high15 Ų1573.1 Ų73.17%0.06638%0.379CS..Hα-helixtrans-61.8-47175.9175-98000111.6I102 V106 I109 L118 K119 V120 N124 Q125 L126 M129 V162 M165I102-F122 HydrophobicContact CG2-CZ 4.4Å; V106-F122 HydrophobicContact CG2-CE1 3.76Å; V106-F122 HydrophobicContact CG2-CE2 4.22Å; V106-F122 HydrophobicContact CG2-CZ 3.48Å; V106-F122 VanDerWaalsContact CG2-CZ 3.48Å; I109-F122 HydrophobicContact CD1-CB 3.83Å; I109-F122 HydrophobicContact CD1-CG 4.2Å; L118-F122 PolarHBondContact O-N 3.42Å; K119-F122 PolarHBondContact O-N 3.35Å; V120-F122 PolarHBondContact O-N 2.97Å; F122-N124 VanDerWaalsContact C-N 3.28Å; F122-N124 PolarHBondContact O-N 3.43Å; F122-Q125 PolarHBondContact O-N 3.11Å; F122-Q125 VanDerWaalsContact O-N 3.13Å; F122-L126 HydrophobicContact CE1-CB 4.45Å; F122-L126 HydrophobicContact CE1-CD1 4.29Å; F122-L126 HydrophobicContact CE1-CD2 4.08Å; F122-L126 HydrophobicContact CZ-CD1 4Å; F122-L126 WeakPolarHBondContact O-CB 3.43Å; F122-L126 PolarHBondContact O-N 2.85Å; F122-M129 HydrophobicContact CD2-CE 4.42Å; F122-M129 HydrophobicContact CE2-CE 3.89Å; F122-M129 HydrophobicContact CZ-CE 4.44Å; F122-V162 HydrophobicContact CE1-CG1 4.12Å; F122-V162 HydrophobicContact CZ-CG1 4.14Å; F122-M165 HydrophobicContact CD1-CE 4.33Å; F122-M165 HydrophobicContact CD1-SD 3.52Å; F122-M165 VanDerWaalsContact CD1-SD 3.52Å; F122-M165 HydrophobicContact CE1-CE 4.35Å; F122-M165 HydrophobicContact CE1-SD 3.79Å
123L98.4Very high98.3Very high35 Ų3570.3 Ų70.318%0.18336%0.364CS..Hα-helixtrans-67.2-27.5179.1-70.7179.8000112.9K119 V120 Q125 L126 P127 M165 D166K119-L123 HydrophobicContact CD-CD1 4.3Å; K119-L123 HydrophobicContact CG-CD1 3.75Å; K119-L123 HydrophobicContact CG-CG 4.14Å; K119-L123 WeakPolarHBondContact O-CB 3.34Å; K119-L123 WeakPolarHBondContact O-CG 3.48Å; K119-L123 PolarHBondContact O-N 2.71Å; V120-L123 PolarHBondContact O-N 3.17Å; L123-Q125 VanDerWaalsContact C-N 3.33Å; L123-L126 HydrophobicContact CD2-CD2 3.89Å; L123-P127 WeakPolarHBondContact O-CD 3.49Å; L123-M165 HydrophobicContact CD2-CG 4.28Å; L123-M165 HydrophobicContact CD2-SD 4.09Å; L123-M165 HydrophobicContact CG-SD 4.31Å; L123-D166 HydrophobicContact CD1-CB 3.99Å; L123-D166 HydrophobicContact CD2-CB 3.9Å
124N98.2Very high98.4Very high120 Ų12061.4 Ų61.464%0.64233%0.325SS*.Hα-helixtrans-68.2-32.5172-74.2-25.3000112.6V120 D121 F122V120-N124 VanDerWaalsContact O-CG 3.24Å; V120-N124 PolarHBondContact O-N 3.2Å; V120-N124 PolarHBondContact O-ND2 2.96Å; D121-N124 PolarHBondContact O-N 3.3Å; F122-N124 VanDerWaalsContact C-N 3.28Å; F122-N124 PolarHBondContact O-N 3.43Å
125Q98.2Very high98.4Very high127 Ų12759 Ų5959%0.59332%0.316SS*.Hα-helixtrans-87-28.8179.3-65.317422.800112.8D121 F122 L123 G128 M129D121-Q125 WeakPolarHBondContact O-CG 3.12Å; D121-Q125 PolarHBondContact O-N 3.09Å; F122-Q125 PolarHBondContact O-N 3.11Å; F122-Q125 VanDerWaalsContact O-N 3.13Å; L123-Q125 VanDerWaalsContact C-N 3.33Å; Q125-G128 PolarHBondContact O-N 3.1Å; Q125-M129 HydrophobicContact CB-CE 4.44Å; Q125-M129 PolarHBondContact O-N 2.96Å
126L98.7Very high98.4Very high2 Ų262.3 Ų62.31%0.0133%0.329CS..Hα-helixtrans-53-43.1-174.3-178.263.9000114I102 F122 L123 G128 M129 L130 V162 C169I102-L126 HydrophobicContact CG1-CD1 4.48Å; I102-L126 HydrophobicContact CG2-CD1 4.02Å; F122-L126 HydrophobicContact CE1-CB 4.45Å; F122-L126 HydrophobicContact CE1-CD1 4.29Å; F122-L126 HydrophobicContact CE1-CD2 4.08Å; F122-L126 HydrophobicContact CZ-CD1 4Å; F122-L126 WeakPolarHBondContact O-CB 3.43Å; F122-L126 PolarHBondContact O-N 2.85Å; L123-L126 HydrophobicContact CD2-CD2 3.89Å; L126-G128 VanDerWaalsContact C-N 3.26Å; L126-G128 PolarHBondContact O-N 2.85Å; L126-M129 HydrophobicContact CB-CE 4.36Å; L126-M129 HydrophobicContact CD1-CE 4.09Å; L126-M129 WeakPolarHBondContact O-CB 3.26Å; L126-M129 PolarHBondContact O-N 3.07Å; L126-L130 HydrophobicContact CD1-CD1 4.14Å; L126-L130 HydrophobicContact CD1-CD2 4.11Å; L126-L130 HydrophobicContact CD1-CG 3.85Å; L126-L130 HydrophobicContact CD2-CD1 4.19Å; L126-L130 HydrophobicContact CG-CD1 3.73Å; L126-L130 HydrophobicContact CG-CG 3.93Å; L126-L130 WeakPolarHBondContact O-CG 3.47Å; L126-L130 PolarHBondContact O-N 3.28Å; L126-V162 HydrophobicContact CD1-CG1 4.25Å; L126-V162 HydrophobicContact CD2-CB 4Å; L126-V162 HydrophobicContact CD2-CG1 4.13Å; L126-V162 HydrophobicContact CD2-CG2 4.38Å; L126-C169 HydrophobicContact CD2-CB 4.02Å
127P98.7Very high98.4Very high62 Ų6257 Ų5740%0.40330%0.304SS..Hα-helixtrans-56.7-37.7177.1-28.135.2000113.6L123 M129 L130 K131 F173L123-P127 WeakPolarHBondContact O-CD 3.49Å; P127-M129 VanDerWaalsContact C-N 3.35Å; P127-L130 PolarHBondContact O-N 3.34Å; P127-K131 VanDerWaalsContact O-CB 3.28Å; P127-K131 WeakPolarHBondContact O-CB 3.36Å; P127-K131 PolarHBondContact O-N 2.92Å; P127-F173 HydrophobicContact CB-CE2 4.47Å; P127-F173 HydrophobicContact CB-CZ 4.06Å; P127-F173 WeakPolarHBondContact O-CZ 3.49Å
128G98.5Very high98.3Very high47 Ų4754.6 Ų54.649%0.48529%0.291SS..Hα-helixtrans-64.7-39.5176.200000112.1Q125 L126Q125-G128 PolarHBondContact O-N 3.1Å; L126-G128 VanDerWaalsContact C-N 3.26Å; L126-G128 PolarHBondContact O-N 2.85Å
129M98.7Very high97.9Very high30 Ų3060.3 Ų60.315%0.14832%0.316CS..Hα-helixtrans-67.9-47.3175-64.7-174.7-77.500112.1D101 I102 F122 Q125 L126 P127 K131 M132 F133D101-M129 HydrophobicContact CB-SD 4.37Å; I102-M129 HydrophobicContact CD1-CB 4.06Å; I102-M129 HydrophobicContact CG1-CB 3.84Å; I102-M129 HydrophobicContact CG1-CE 4.41Å; I102-M129 HydrophobicContact CG1-CG 4.44Å; I102-M129 HydrophobicContact CG1-SD 3.87Å; F122-M129 HydrophobicContact CD2-CE 4.42Å; F122-M129 HydrophobicContact CE2-CE 3.89Å; F122-M129 HydrophobicContact CZ-CE 4.44Å; Q125-M129 HydrophobicContact CB-CE 4.44Å; Q125-M129 PolarHBondContact O-N 2.96Å; L126-M129 HydrophobicContact CB-CE 4.36Å; L126-M129 HydrophobicContact CD1-CE 4.09Å; L126-M129 WeakPolarHBondContact O-CB 3.26Å; L126-M129 PolarHBondContact O-N 3.07Å; P127-M129 VanDerWaalsContact C-N 3.35Å; M129-K131 VanDerWaalsContact C-N 3.33Å; M129-K131 PolarHBondContact O-N 3.17Å; M129-M132 HydrophobicContact CB-CE 4.47Å; M129-M132 HydrophobicContact CG-CE 4.48Å; M129-M132 PolarHBondContact O-N 3.4Å; M129-F133 WeakPolarHBondContact O-CD2 3.47Å
130L98.8Very high97.8Very high1 Ų160.1 Ų60.11%0.00532%0.318CS..Hα-helixtrans-63.9-36.6-180-65.9177.2000112.3I102 L126 P127 M132 F133 E134 L159 L170 F173 L176I102-L130 HydrophobicContact CD1-CD2 4.13Å; L126-L130 HydrophobicContact CD1-CD1 4.14Å; L126-L130 HydrophobicContact CD1-CD2 4.11Å; L126-L130 HydrophobicContact CD1-CG 3.85Å; L126-L130 HydrophobicContact CD2-CD1 4.19Å; L126-L130 HydrophobicContact CG-CD1 3.73Å; L126-L130 HydrophobicContact CG-CG 3.93Å; L126-L130 WeakPolarHBondContact O-CG 3.47Å; L126-L130 PolarHBondContact O-N 3.28Å; P127-L130 PolarHBondContact O-N 3.34Å; L130-M132 PolarHBondContact O-N 3.42Å; L130-F133 PolarHBondContact O-N 3.24Å; L130-F133 VanDerWaalsContact O-N 3.07Å; L130-E134 PolarHBondContact O-N 3.47Å; L130-L159 HydrophobicContact CD2-CD2 3.89Å; L130-L170 HydrophobicContact CD1-CD2 3.66Å; L130-L170 HydrophobicContact CD2-CD2 4.21Å; L130-F173 HydrophobicContact CB-CD1 4.3Å; L130-F173 HydrophobicContact CB-CD2 4.11Å; L130-F173 HydrophobicContact CB-CE1 4.05Å; L130-F173 HydrophobicContact CB-CE2 3.85Å; L130-F173 HydrophobicContact CB-CG 4.33Å; L130-F173 HydrophobicContact CB-CZ 3.82Å; L130-F173 HydrophobicContact CD1-CD2 3.93Å; L130-F173 HydrophobicContact CD1-CE2 3.76Å; L130-F173 HydrophobicContact CD1-CZ 4.5Å; L130-F173 HydrophobicContact CG-CE2 4.48Å; L130-L176 HydrophobicContact CB-CD1 3.81Å; L130-L176 HydrophobicContact CD2-CD1 3.88Å; L130-L176 HydrophobicContact CG-CD1 4.33Å
131K98.7Very high97.8Very high98 Ų9859 Ų5943%0.42631%0.311SS..Hα-helixtrans-56.5-37.2178.6-175.959.8167.270.70112.7P127 M129 F133 E134 D135 F173P127-K131 VanDerWaalsContact O-CB 3.28Å; P127-K131 WeakPolarHBondContact O-CB 3.36Å; P127-K131 PolarHBondContact O-N 2.92Å; M129-K131 VanDerWaalsContact C-N 3.33Å; M129-K131 PolarHBondContact O-N 3.17Å; K131-F133 VanDerWaalsContact C-N 3.32Å; K131-F133 PolarHBondContact O-N 2.87Å; K131-E134 PolarHBondContact O-N 3.03Å; K131-D135 IonicContact NZ-OD1 3.44Å; K131-D135 PolarHBondContact NZ-OD1 2.64Å; K131-D135 IonicContact NZ-OD2 3.33Å; K131-D135 PolarHBondContact NZ-OD2 3.4Å; K131-D135 WeakPolarHBondContact O-CB 3.3Å; K131-D135 VanDerWaalsContact O-CG 3.25Å; K131-D135 PolarHBondContact O-N 3.05Å; K131-F173 HydrophobicContact CB-CE1 4.09Å; K131-F173 HydrophobicContact CD-CE1 4.32Å
132M98.3Very high97.8Very high113 Ų11355.7 Ų55.756%0.55729%0.292SS*.Hα-helixtrans-62.5-39.6178.3-65.8-175.1-90.300112M129 L130 R136M129-M132 HydrophobicContact CB-CE 4.47Å; M129-M132 HydrophobicContact CG-CE 4.48Å; M129-M132 PolarHBondContact O-N 3.4Å; L130-M132 PolarHBondContact O-N 3.42Å; M132-R136 WeakPolarHBondContact O-CB 3.26Å; M132-R136 PolarHBondContact O-N 2.93Å
133F98.7Very high97.8Very high5 Ų555 Ų552%0.02229%0.289CS..Hα-helixtrans-77-37.5177.4-62.7-73.3000112.5A98 I99 I102 M129 L130 K131 D135 R136 L137 L143 L155 L176A98-F133 HydrophobicContact CB-CE1 4.31Å; A98-F133 HydrophobicContact CB-CE2 4.42Å; A98-F133 HydrophobicContact CB-CZ 3.63Å; I99-F133 HydrophobicContact CB-CZ 4.34Å; I99-F133 HydrophobicContact CD1-CE1 4.25Å; I99-F133 HydrophobicContact CG1-CE1 3.53Å; I99-F133 HydrophobicContact CG1-CE2 4.46Å; I99-F133 HydrophobicContact CG1-CZ 3.46Å; I99-F133 VanDerWaalsContact CG1-CZ 3.46Å; I102-F133 HydrophobicContact CD1-CD2 4.04Å; I102-F133 HydrophobicContact CD1-CE2 3.6Å; M129-F133 WeakPolarHBondContact O-CD2 3.47Å; L130-F133 PolarHBondContact O-N 3.24Å; L130-F133 VanDerWaalsContact O-N 3.07Å; K131-F133 VanDerWaalsContact C-N 3.32Å; K131-F133 PolarHBondContact O-N 2.87Å; F133-D135 VanDerWaalsContact C-N 3.28Å; F133-D135 PolarHBondContact O-N 3.46Å; F133-R136 PolarHBondContact O-N 3.15Å; F133-L137 WeakPolarHBondContact O-CB 3.35Å; F133-L137 VanDerWaalsContact O-CG 3.28Å; F133-L137 WeakPolarHBondContact O-CG 3.16Å; F133-L137 PolarHBondContact O-N 3.43Å; F133-L143 HydrophobicContact CD1-CD2 3.9Å; F133-L155 HydrophobicContact CB-CD2 4.13Å; F133-L155 HydrophobicContact CD1-CD1 4.35Å; F133-L155 HydrophobicContact CD1-CD2 3.94Å; F133-L155 HydrophobicContact CD2-CD1 4.2Å; F133-L155 HydrophobicContact CE2-CD1 4.46Å; F133-L155 HydrophobicContact CG-CD1 4.15Å; F133-L155 HydrophobicContact CG-CD2 4.09Å; F133-L176 HydrophobicContact CB-CD2 3.75Å
134E98.7Very high97.8Very high15 Ų1554.7 Ų54.77%0.0729%0.287CS..Hα-helixtrans-56.3-44.5171.8-176.171.3-169.800110.9L130 K131 L137 S138 F173 P174 K175 L176L130-E134 PolarHBondContact O-N 3.47Å; K131-E134 PolarHBondContact O-N 3.03Å; E134-L137 PolarHBondContact O-N 3.2Å; E134-S138 PolarHBondContact O-N 2.95Å; E134-S138 PolarHBondContact O-OG 3.41Å; E134-S138 VanDerWaalsContact O-OG 3.11Å; E134-F173 HydrophobicContact CB-CD1 3.83Å; E134-F173 HydrophobicContact CG-CD1 3.97Å; E134-F173 VanDerWaalsContact OE2-C 3.26Å; E134-F173 WeakPolarHBondContact OE2-CA 3.28Å; E134-F173 WeakPolarHBondContact OE2-CB 3.12Å; E134-P174 VanDerWaalsContact OE1-CD 3.26Å; E134-P174 WeakPolarHBondContact OE1-CD 3.35Å; E134-K175 WeakPolarHBondContact OE1-CB 3.42Å; E134-K175 VanDerWaalsContact OE1-CG 3.27Å; E134-K175 WeakPolarHBondContact OE1-CG 3.16Å; E134-K175 PolarHBondContact OE1-N 3.38Å; E134-K175 WeakPolarHBondContact OE2-CA 3.48Å; E134-K175 WeakPolarHBondContact OE2-CB 3.22Å; E134-K175 PolarHBondContact OE2-N 3.21Å; E134-K175 VanDerWaalsContact OE2-N 3.13Å; E134-L176 PolarHBondContact OE2-N 3.11Å
135D98.3Very high97.7Very high73 Ų7349.7 Ų49.739%0.3926%0.264SS..Hα-helixtrans-66.7-45.3177-70.2-21.1000111.9K131 F133 L137 S138K131-D135 IonicContact NZ-OD1 3.44Å; K131-D135 PolarHBondContact NZ-OD1 2.64Å; K131-D135 IonicContact NZ-OD2 3.33Å; K131-D135 PolarHBondContact NZ-OD2 3.4Å; K131-D135 WeakPolarHBondContact O-CB 3.3Å; K131-D135 VanDerWaalsContact O-CG 3.25Å; K131-D135 PolarHBondContact O-N 3.05Å; F133-D135 VanDerWaalsContact C-N 3.28Å; F133-D135 PolarHBondContact O-N 3.46Å; D135-L137 PolarHBondContact O-N 3.44Å; D135-S138 WeakPolarHBondContact O-CB 3.26Å; D135-S138 PolarHBondContact O-N 3.08Å; D135-S138 PolarHBondContact O-OG 3.35Å
136R98Very high97.5Very high73 Ų7349.7 Ų49.728%0.27527%0.268SS..Hα-helixtrans-57.5-39.3176.5-175.566175.4-167.1-2.6111.6E91 L95 M132 F133 S138 N140 L143 N144E91-R136 IonicContact OE2-NH1 3.58Å; E91-R136 IonicContact OE2-NH2 3.01Å; E91-R136 PolarHBondContact OE2-NH2 2.96Å; L95-R136 HydrophobicContact CD2-CG 4.44Å; M132-R136 WeakPolarHBondContact O-CB 3.26Å; M132-R136 PolarHBondContact O-N 2.93Å; F133-R136 PolarHBondContact O-N 3.15Å; R136-S138 VanDerWaalsContact C-N 3.26Å; R136-S138 PolarHBondContact O-N 2.92Å; R136-N140 PolarHBondContact O-ND2 3.07Å; R136-L143 HydrophobicContact CG-CD2 4.36Å; R136-L143 PolarHBondContact NE-O 3.45Å; R136-L143 PolarHBondContact NH2-O 2.74Å; R136-N144 PolarHBondContact NH2-OD1 3Å
137L98.4Very high97.3Very high12 Ų1257.8 Ų57.86%0.06330%0.303CS..THydrogen-bonded Turntrans-78.4-4.5179.2-69.2167.2000113.8F133 E134 D135 H139 L143 K175 L176 F179F133-L137 WeakPolarHBondContact O-CB 3.35Å; F133-L137 VanDerWaalsContact O-CG 3.28Å; F133-L137 WeakPolarHBondContact O-CG 3.16Å; F133-L137 PolarHBondContact O-N 3.43Å; E134-L137 PolarHBondContact O-N 3.2Å; D135-L137 PolarHBondContact O-N 3.44Å; L137-H139 PolarHBondContact O-N 2.85Å; L137-L143 HydrophobicContact CD2-CD2 4.18Å; L137-L143 HydrophobicContact CG-CD2 4.24Å; L137-K175 HydrophobicContact CB-CB 4.04Å; L137-K175 HydrophobicContact CB-CD 4.49Å; L137-L176 HydrophobicContact CD1-CD2 3.68Å; L137-L176 HydrophobicContact CD1-CG 4.47Å; L137-F179 HydrophobicContact CD1-CB 3.68Å; L137-F179 HydrophobicContact CD1-CD2 4.06Å; L137-F179 HydrophobicContact CD1-CG 3.89Å; L137-F179 HydrophobicContact CD2-CB 4.48Å; L137-F179 HydrophobicContact CD2-CD2 3.68Å; L137-F179 HydrophobicContact CD2-CE2 4.34Å; L137-F179 HydrophobicContact CD2-CG 4.35Å
138S95.8Very high97.3Very high47 Ų4755.3 Ų55.333%0.32929%0.287SS..THydrogen-bonded Turntrans-68.2-24.5176-65.30000113.3E134 D135 R136 K175E134-S138 PolarHBondContact O-N 2.95Å; E134-S138 PolarHBondContact O-OG 3.41Å; E134-S138 VanDerWaalsContact O-OG 3.11Å; D135-S138 WeakPolarHBondContact O-CB 3.26Å; D135-S138 PolarHBondContact O-N 3.08Å; D135-S138 PolarHBondContact O-OG 3.35Å; R136-S138 VanDerWaalsContact C-N 3.26Å; R136-S138 PolarHBondContact O-N 2.92Å; S138-K175 WeakPolarHBondContact OG-CD 3.3Å; S138-K175 WeakPolarHBondContact OG-CE 3.37Å
139H90.5Very high97.3Very high170 Ų17053.5 Ų53.579%0.78727%0.266SS*.SBendtrans-121.73-177.3-56.6-59.7000113.2L137L137-H139 PolarHBondContact O-N 2.85Å
140N96.5Very high97.3Very high45 Ų4552 Ų5224%0.24126%0.259CS..  trans-136.6146.9-173.9-59-66.5000112.1R136 Y142 G145R136-N140 PolarHBondContact O-ND2 3.07Å; N140-Y142 WeakPolarHBondContact CB-O 3.39Å; N140-G145 WeakPolarHBondContact OD1-CA 3.47Å
141T97.7Very high97.3Very high55 Ų5552 Ų5234%0.33726%0.259SS..SBendtrans-73.3-39.1173.4-55.50000111.4G145 D146 R182T141-G145 PolarHBondContact N-O 2.61Å; T141-D146 PolarHBondContact OG1-OD1 3.05Å; T141-R182 PolarHBondContact O-NH1 2.71Å
142Y98.6Very high97.3Very high25 Ų2547.3 Ų47.310%0.09824%0.239CC..BIsolated β-bridgetrans-125.3-179.4174.1-64.4-71000108.9N140 N144 G145 D146 V148 D152 F179 R182 I183N140-Y142 WeakPolarHBondContact CB-O 3.39Å; Y142-N144 PolarHBondContact O-N 3.45Å; Y142-G145 PolarHBondContact N-O 3.21Å; Y142-G145 PolarHBondContact O-N 3.2Å; Y142-D146 WeakPolarHBondContact CD2-O 3.27Å; Y142-V148 HydrophobicContact CD1-CG2 3.89Å; Y142-V148 HydrophobicContact CD2-CG2 4.04Å; Y142-V148 HydrophobicContact CE1-CG2 3.54Å; Y142-V148 HydrophobicContact CE2-CG2 3.69Å; Y142-V148 HydrophobicContact CG-CG2 4.13Å; Y142-V148 VanDerWaalsContact CZ-CG2 3.43Å; Y142-D152 WeakPolarHBondContact CB-OD1 3.42Å; Y142-F179 HydrophobicContact CD1-CE2 4.38Å; Y142-R182 HydrophobicContact CE1-CG 4.18Å; Y142-I183 HydrophobicContact CD1-CD1 4.14Å; Y142-I183 HydrophobicContact CE1-CD1 3.9Å
143L98.5Very high97.3Very high0 Ų042 Ų420%021%0.212CC..THydrogen-bonded Turntrans-65.6-25-176.3-68.2176.8000113.8L95 I99 F133 R136 L137 P151 D152 L155 F179L95-L143 HydrophobicContact CD1-CB 3.84Å; L95-L143 HydrophobicContact CD2-CB 4.21Å; I99-L143 HydrophobicContact CD1-CD1 3.84Å; F133-L143 HydrophobicContact CD1-CD2 3.9Å; R136-L143 HydrophobicContact CG-CD2 4.36Å; R136-L143 PolarHBondContact NE-O 3.45Å; R136-L143 PolarHBondContact NH2-O 2.74Å; L137-L143 HydrophobicContact CD2-CD2 4.18Å; L137-L143 HydrophobicContact CG-CD2 4.24Å; L143-P151 HydrophobicContact CD1-CB 4.04Å; L143-D152 WeakPolarHBondContact CB-OD1 3.31Å; L143-D152 WeakPolarHBondContact CG-OD1 3.35Å; L143-D152 PolarHBondContact N-OD1 3.29Å; L143-L155 HydrophobicContact CD1-CB 3.95Å; L143-L155 HydrophobicContact CD1-CD2 3.83Å; L143-L155 HydrophobicContact CD2-CD2 3.76Å; L143-L155 HydrophobicContact CG-CD2 4.14Å; L143-F179 HydrophobicContact CG-CE2 4.42Å
144N97.5Very high97.3Very high28 Ų2842 Ų4215%0.1521%0.213CC..THydrogen-bonded Turntrans-119.641.3178.8-159.546.7000113.4E88 L95 R136 Y142 T149E88-N144 PolarHBondContact OE1-ND2 3.22Å; L95-N144 HydrophobicContact CD1-CB 4.43Å; R136-N144 PolarHBondContact NH2-OD1 3Å; Y142-N144 PolarHBondContact O-N 3.45Å; N144-T149 HydrophobicContact CB-CG2 3.99Å
145G95.7Very high97.4Very high15 Ų1541.3 Ų41.316%0.15521%0.21CC..BIsolated β-bridgetrans100.3-132.4176.100000112.9N140 T141 Y142N140-G145 WeakPolarHBondContact OD1-CA 3.47Å; T141-G145 PolarHBondContact N-O 2.61Å; Y142-G145 PolarHBondContact N-O 3.21Å; Y142-G145 PolarHBondContact O-N 3.2Å
146D95.4Very high97.4Very high128 Ų12838.1 Ų38.168%0.68419%0.192SC*.SBendtrans-93.9-8-173.5-66-38.8000114.6T141 Y142T141-D146 PolarHBondContact OG1-OD1 3.05Å; Y142-D146 WeakPolarHBondContact CD2-O 3.27Å
147K94.2Very high97.4Very high171 Ų17134.9 Ų34.974%0.74318%0.18SC*.SBendtrans-109.9143.3179.3-64-176.1-177.6179.10110.8
148V98Very high97.5Very high10 Ų1034.3 Ų34.36%0.06118%0.178CC..  trans-64.6141.9171.8177.30000109.6Y23 M81 Y142 D152 F153 L186Y23-V148 HydrophobicContact CD1-CG1 4.32Å; Y23-V148 HydrophobicContact CE1-CB 4.01Å; Y23-V148 HydrophobicContact CE1-CG1 3.96Å; Y23-V148 HydrophobicContact CE2-CB 4.31Å; Y23-V148 HydrophobicContact CE2-CG1 4.41Å; Y23-V148 HydrophobicContact CE2-CG2 4.04Å; M81-V148 WeakPolarHBondContact CE-O 3.32Å; Y142-V148 HydrophobicContact CD1-CG2 3.89Å; Y142-V148 HydrophobicContact CD2-CG2 4.04Å; Y142-V148 HydrophobicContact CE1-CG2 3.54Å; Y142-V148 HydrophobicContact CE2-CG2 3.69Å; Y142-V148 HydrophobicContact CG-CG2 4.13Å; Y142-V148 VanDerWaalsContact CZ-CG2 3.43Å; V148-D152 HydrophobicContact CG1-CB 4.36Å; V148-F153 HydrophobicContact CG1-CD2 4.49Å; V148-F153 HydrophobicContact CG1-CE1 4.41Å; V148-F153 HydrophobicContact CG1-CE2 3.55Å; V148-F153 HydrophobicContact CG1-CZ 3.5Å; V148-F153 VanDerWaalsContact CG1-CZ 3.5Å; V148-L186 HydrophobicContact CG2-CD1 4.21Å
149T98.2Very high97.6Very high9 Ų932.1 Ų32.16%0.05516%0.162CC..  trans-131.8164.7171.153.80000109I92 N144 P151 D152I92-T149 HydrophobicContact CD1-CG2 4.32Å; N144-T149 HydrophobicContact CB-CG2 3.99Å; T149-P151 VanDerWaalsContact C-N 3.33Å; T149-P151 WeakPolarHBondContact OG1-CD 3.17Å; T149-D152 PolarHBondContact N-OD2 3.07Å; T149-D152 VanDerWaalsContact O-CB 3.32Å; T149-D152 WeakPolarHBondContact O-CB 3.23Å; T149-D152 PolarHBondContact O-N 3.22Å; T149-D152 VanDerWaalsContact O-OD2 3.12Å; T149-D152 PolarHBondContact OG1-OD2 3.43Å
150H98.8Very high98Very high0 Ų024.9 Ų24.90%013%0.129CC..Hα-helixtrans-63.4-26.5-179.565.6-80000115.3L20 L72 A76 E96 D152 F153 M154L20-H150 HydrophobicContact CD1-CB 4.36Å; L20-H150 HydrophobicContact CD2-CB 3.86Å; L72-H150 HydrophobicContact CD1-CB 4.05Å; L72-H150 HydrophobicContact CD2-CB 4.24Å; L72-H150 HydrophobicContact CG-CB 3.97Å; A76-H150 HydrophobicContact CB-CB 4.24Å; A76-H150 WeakPolarHBondContact CB-ND1 3.42Å; E96-H150 IonicContact OE1-CD2 2.63Å; E96-H150 IonicContact OE1-CE1 3.04Å; E96-H150 PolarHBondContact OE1-CE1 3.49Å; E96-H150 VanDerWaalsContact OE1-CE1 3.27Å; E96-H150 IonicContact OE1-NE2 2.9Å; E96-H150 PolarHBondContact OE1-NE2 2.96Å; H150-D152 PolarHBondContact O-N 3.4Å; H150-F153 PolarHBondContact O-N 3.1Å; H150-M154 WeakPolarHBondContact O-CG 3.5Å; H150-M154 PolarHBondContact O-N 2.96Å
151P98.8Very high98.1Very high0 Ų022.7 Ų22.70%012%0.117CC..Hα-helixtrans-58.5-27.6169.1-26.737.8000113.5I92 L95 E96 I99 L143 T149 F153 M154 L155I92-P151 HydrophobicContact CG2-CG 4.01Å; L95-P151 HydrophobicContact CB-CB 3.98Å; L95-P151 HydrophobicContact CB-CG 4.19Å; E96-P151 HydrophobicContact CG-CG 4.09Å; I99-P151 HydrophobicContact CD1-CB 3.75Å; I99-P151 VanDerWaalsContact CD1-O 3.24Å; I99-P151 WeakPolarHBondContact CD1-O 3.24Å; L143-P151 HydrophobicContact CD1-CB 4.04Å; T149-P151 VanDerWaalsContact C-N 3.33Å; T149-P151 WeakPolarHBondContact OG1-CD 3.17Å; P151-F153 VanDerWaalsContact C-N 3.31Å; P151-F153 PolarHBondContact O-N 3.02Å; P151-M154 WeakPolarHBondContact O-CB 3.48Å; P151-M154 PolarHBondContact O-N 3Å; P151-L155 PolarHBondContact O-N 3.34Å
152D98.9Very high98.2Very high0 Ų020.1 Ų20.10%010%0.101CC..Hα-helixtrans-63.7-39.9178.2-63.6-66.9000111.5Y142 L143 V148 T149 H150 L155 Y156 F179 I183Y142-D152 WeakPolarHBondContact CB-OD1 3.42Å; L143-D152 WeakPolarHBondContact CB-OD1 3.31Å; L143-D152 WeakPolarHBondContact CG-OD1 3.35Å; L143-D152 PolarHBondContact N-OD1 3.29Å; V148-D152 HydrophobicContact CG1-CB 4.36Å; T149-D152 PolarHBondContact N-OD2 3.07Å; T149-D152 VanDerWaalsContact O-CB 3.32Å; T149-D152 WeakPolarHBondContact O-CB 3.23Å; T149-D152 PolarHBondContact O-N 3.22Å; T149-D152 VanDerWaalsContact O-OD2 3.12Å; T149-D152 PolarHBondContact OG1-OD2 3.43Å; H150-D152 PolarHBondContact O-N 3.4Å; D152-L155 PolarHBondContact O-N 3.4Å; D152-Y156 WeakPolarHBondContact O-CB 3.5Å; D152-Y156 PolarHBondContact O-N 3.43Å; D152-F179 HydrophobicContact CB-CE2 4.19Å; D152-F179 HydrophobicContact CB-CZ 3.91Å; D152-F179 WeakPolarHBondContact O-CZ 3.47Å; D152-F179 VanDerWaalsContact OD1-CE2 3.32Å; D152-F179 WeakPolarHBondContact OD1-CE2 3.43Å; D152-I183 HydrophobicContact CB-CD1 4.03Å
153F98.9Very high98.1Very high0 Ų020.9 Ų20.90%011%0.107CC..Hα-helixtrans-72.8-30.8175.1-58.4-57.5000112.7P16 L19 L20 Y23 V148 H150 P151 D157 I183 L186 I189P16-F153 HydrophobicContact CB-CB 4.46Å; L19-F153 HydrophobicContact CB-CB 3.95Å; L19-F153 HydrophobicContact CB-CD1 3.76Å; L19-F153 HydrophobicContact CB-CG 3.92Å; L19-F153 HydrophobicContact CD1-CB 4.36Å; L20-F153 HydrophobicContact CB-CD2 3.92Å; L20-F153 HydrophobicContact CB-CE2 4.3Å; L20-F153 HydrophobicContact CD1-CD2 3.87Å; L20-F153 HydrophobicContact CD1-CE2 3.65Å; Y23-F153 AromaticContact CD1-CE2 3.97Å; Y23-F153 HydrophobicContact CD1-CE2 3.97Å; Y23-F153 AromaticContact CD1-CZ 3.83Å; Y23-F153 HydrophobicContact CD1-CZ 3.83Å; Y23-F153 AromaticContact CD2-CZ 3.85Å; Y23-F153 HydrophobicContact CD2-CZ 3.85Å; Y23-F153 HydrophobicContact CG-CE1 4.42Å; Y23-F153 AromaticContact CG-CE2 3.97Å; Y23-F153 HydrophobicContact CG-CE2 3.97Å; Y23-F153 AromaticContact CG-CZ 3.4Å; Y23-F153 HydrophobicContact CG-CZ 3.4Å; V148-F153 HydrophobicContact CG1-CD2 4.49Å; V148-F153 HydrophobicContact CG1-CE1 4.41Å; V148-F153 HydrophobicContact CG1-CE2 3.55Å; V148-F153 HydrophobicContact CG1-CZ 3.5Å; V148-F153 VanDerWaalsContact CG1-CZ 3.5Å; H150-F153 PolarHBondContact O-N 3.1Å; P151-F153 VanDerWaalsContact C-N 3.31Å; P151-F153 PolarHBondContact O-N 3.02Å; F153-D157 PolarHBondContact O-N 2.77Å; F153-D157 VanDerWaalsContact O-N 3.09Å; F153-I183 HydrophobicContact CD1-CG2 4.22Å; F153-I183 HydrophobicContact CE1-CG2 4.27Å; F153-L186 HydrophobicContact CE1-CD1 4.48Å; F153-I189 HydrophobicContact CD1-CD1 4.43Å; F153-I189 HydrophobicContact CE1-CD1 3.79Å; F153-I189 HydrophobicContact CE1-CG1 4.03Å; F153-I189 HydrophobicContact CZ-CD1 4.42Å
154M98.9Very high98.1Very high7 Ų724.6 Ų24.63%0.03412%0.122CC..Hα-helixtrans-65.8-46.5172.4-62.6171.662.700111P16 M69 L72 E96 I99 L100 H150 P151 D157 A158P16-M154 HydrophobicContact CB-CB 4.49Å; P16-M154 HydrophobicContact CB-CG 3.89Å; P16-M154 HydrophobicContact CG-CG 4.27Å; M69-M154 HydrophobicContact CE-CE 3.65Å; M69-M154 HydrophobicContact CE-SD 3.77Å; M69-M154 HydrophobicContact SD-CE 3.66Å; M69-M154 HydrophobicContact SD-SD 4.19Å; L72-M154 HydrophobicContact CD2-CG 3.65Å; L72-M154 HydrophobicContact CD2-SD 3.66Å; E96-M154 HydrophobicContact CB-CE 4.14Å; E96-M154 HydrophobicContact CB-SD 4.39Å; E96-M154 HydrophobicContact CG-CE 4.4Å; E96-M154 HydrophobicContact CG-SD 4.02Å; I99-M154 HydrophobicContact CB-CB 4.44Å; I99-M154 HydrophobicContact CB-CE 4.45Å; I99-M154 HydrophobicContact CD1-CB 4.09Å; I99-M154 HydrophobicContact CG2-CB 3.7Å; I99-M154 HydrophobicContact CG2-CE 4.47Å; L100-M154 HydrophobicContact CD1-CE 4.39Å; L100-M154 HydrophobicContact CD2-CE 3.87Å; L100-M154 HydrophobicContact CG-CE 3.79Å; H150-M154 WeakPolarHBondContact O-CG 3.5Å; H150-M154 PolarHBondContact O-N 2.96Å; P151-M154 WeakPolarHBondContact O-CB 3.48Å; P151-M154 PolarHBondContact O-N 3Å; M154-D157 PolarHBondContact O-N 3.45Å; M154-A158 PolarHBondContact O-N 2.97Å
155L98.9Very high98.1Very high0 Ų023.5 Ų23.50%012%0.116CC..Hα-helixtrans-66.4-41.1178.7179.960.6000110.4I99 F133 L143 P151 D152 D157 A158 L159 L176 F179I99-L155 HydrophobicContact CD1-CB 3.89Å; I99-L155 HydrophobicContact CG1-CB 4.15Å; I99-L155 HydrophobicContact CG1-CD1 4.44Å; F133-L155 HydrophobicContact CB-CD2 4.13Å; F133-L155 HydrophobicContact CD1-CD1 4.35Å; F133-L155 HydrophobicContact CD1-CD2 3.94Å; F133-L155 HydrophobicContact CD2-CD1 4.2Å; F133-L155 HydrophobicContact CE2-CD1 4.46Å; F133-L155 HydrophobicContact CG-CD1 4.15Å; F133-L155 HydrophobicContact CG-CD2 4.09Å; L143-L155 HydrophobicContact CD1-CB 3.95Å; L143-L155 HydrophobicContact CD1-CD2 3.83Å; L143-L155 HydrophobicContact CD2-CD2 3.76Å; L143-L155 HydrophobicContact CG-CD2 4.14Å; P151-L155 PolarHBondContact O-N 3.34Å; D152-L155 PolarHBondContact O-N 3.4Å; L155-D157 VanDerWaalsContact C-N 3.35Å; L155-D157 PolarHBondContact O-N 3.23Å; L155-A158 PolarHBondContact O-N 3.07Å; L155-L159 HydrophobicContact CD1-CD1 4.38Å; L155-L159 HydrophobicContact CD1-CD2 4.28Å; L155-L159 HydrophobicContact CD1-CG 4Å; L155-L159 HydrophobicContact CG-CD1 4.05Å; L155-L159 HydrophobicContact CG-CG 4.14Å; L155-L159 WeakPolarHBondContact O-CB 3.48Å; L155-L159 VanDerWaalsContact O-CG 3.26Å; L155-L159 WeakPolarHBondContact O-CG 3.3Å; L155-L159 PolarHBondContact O-N 3.1Å; L155-L176 HydrophobicContact CD2-CD2 4.04Å; L155-F179 HydrophobicContact CB-CE1 4.03Å; L155-F179 HydrophobicContact CB-CZ 4.28Å; L155-F179 HydrophobicContact CD2-CD1 4.13Å; L155-F179 HydrophobicContact CD2-CE1 3.77Å; L155-F179 HydrophobicContact CD2-CZ 4.1Å; L155-F179 HydrophobicContact CG-CD1 4.42Å; L155-F179 HydrophobicContact CG-CE1 3.85Å; L155-F179 HydrophobicContact CG-CZ 4.43Å
156Y99Very high98.3Very high6 Ų625.2 Ų25.22%0.02412%0.121CC..Hα-helixtrans-55-48.2173.8171.1-94.9000112.2L19 D152 L159 D160 K180 I183 E184L19-Y156 HydrophobicContact CD1-CD1 3.45Å; L19-Y156 VanDerWaalsContact CD1-CD1 3.45Å; L19-Y156 HydrophobicContact CD1-CE1 3.8Å; L19-Y156 HydrophobicContact CD2-CE1 4.27Å; D152-Y156 WeakPolarHBondContact O-CB 3.5Å; D152-Y156 PolarHBondContact O-N 3.43Å; Y156-L159 PolarHBondContact O-N 3.03Å; Y156-D160 WeakPolarHBondContact O-CB 3.44Å; Y156-D160 PolarHBondContact O-N 3.01Å; Y156-K180 HydrophobicContact CD2-CG 3.87Å; Y156-K180 HydrophobicContact CE2-CG 3.81Å; Y156-I183 HydrophobicContact CD1-CG2 4.32Å; Y156-I183 HydrophobicContact CD2-CB 3.86Å; Y156-I183 HydrophobicContact CD2-CG2 3.67Å; Y156-I183 HydrophobicContact CE2-CG2 4.3Å; Y156-I183 HydrophobicContact CG-CB 4.27Å; Y156-I183 HydrophobicContact CG-CG2 3.68Å; Y156-E184 HydrophobicContact CE2-CG 3.52Å
157D98.9Very high98.4Very high4 Ų423.7 Ų23.72%0.02112%0.118CC..Hα-helixtrans-61.1-45.6175.6179.776.3000111.6Q15 P16 R103 F153 M154 L155 L159 D160 V161Q15-D157 WeakPolarHBondContact CB-OD1 3.4Å; Q15-D157 WeakPolarHBondContact CG-OD1 3.48Å; P16-D157 HydrophobicContact CG-CB 3.89Å; R103-D157 VanDerWaalsContact CD-OD2 3.3Å; R103-D157 WeakPolarHBondContact CD-OD2 3.47Å; R103-D157 IonicContact NE-OD2 3.8Å; R103-D157 PolarHBondContact NE-OD2 3.15Å; F153-D157 PolarHBondContact O-N 2.77Å; F153-D157 VanDerWaalsContact O-N 3.09Å; M154-D157 PolarHBondContact O-N 3.45Å; L155-D157 VanDerWaalsContact C-N 3.35Å; L155-D157 PolarHBondContact O-N 3.23Å; D157-L159 PolarHBondContact O-N 3.35Å; D157-D160 PolarHBondContact O-N 3.39Å; D157-V161 VanDerWaalsContact O-CG2 3.31Å; D157-V161 WeakPolarHBondContact O-CG2 3.41Å; D157-V161 PolarHBondContact O-N 2.89Å
158A98.9Very high98.6Very high1 Ų122.5 Ų22.51%0.00811%0.113CC..Hα-helixtrans-59.9-44.8178.900000112.1I99 I102 R103 M154 L155 V161 V162I99-A158 HydrophobicContact CG2-CB 4.09Å; I102-A158 HydrophobicContact CG2-CB 4.15Å; R103-A158 HydrophobicContact CB-CB 4.42Å; M154-A158 PolarHBondContact O-N 2.97Å; L155-A158 PolarHBondContact O-N 3.07Å; A158-V161 PolarHBondContact O-N 3.32Å; A158-V162 WeakPolarHBondContact O-CG2 3.49Å; A158-V162 PolarHBondContact O-N 2.73Å
159L98.9Very high98.6Very high1 Ų122.8 Ų22.81%0.00512%0.116CC..Hα-helixtrans-62.7-45.4176.4-67.8176.6000111.7L130 L155 Y156 D157 V161 V162 L163 L170 L176 F179 K180L130-L159 HydrophobicContact CD2-CD2 3.89Å; L155-L159 HydrophobicContact CD1-CD1 4.38Å; L155-L159 HydrophobicContact CD1-CD2 4.28Å; L155-L159 HydrophobicContact CD1-CG 4Å; L155-L159 HydrophobicContact CG-CD1 4.05Å; L155-L159 HydrophobicContact CG-CG 4.14Å; L155-L159 WeakPolarHBondContact O-CB 3.48Å; L155-L159 VanDerWaalsContact O-CG 3.26Å; L155-L159 WeakPolarHBondContact O-CG 3.3Å; L155-L159 PolarHBondContact O-N 3.1Å; Y156-L159 PolarHBondContact O-N 3.03Å; D157-L159 PolarHBondContact O-N 3.35Å; L159-V161 VanDerWaalsContact C-N 3.28Å; L159-V161 PolarHBondContact O-N 2.58Å; L159-V162 WeakPolarHBondContact O-CG2 3.3Å; L159-V162 PolarHBondContact O-N 3.03Å; L159-L163 WeakPolarHBondContact O-CB 3.43Å; L159-L163 WeakPolarHBondContact O-CD1 3.39Å; L159-L163 VanDerWaalsContact O-CG 3.3Å; L159-L163 WeakPolarHBondContact O-CG 3.5Å; L159-L163 PolarHBondContact O-N 3.24Å; L159-L163 VanDerWaalsContact O-N 3.07Å; L159-L170 HydrophobicContact CD2-CD1 4.09Å; L159-L170 HydrophobicContact CD2-CD2 3.84Å; L159-L176 HydrophobicContact CD1-CB 4.44Å; L159-L176 HydrophobicContact CD1-CD2 4.16Å; L159-L176 HydrophobicContact CD2-CB 4.48Å; L159-L176 HydrophobicContact CD2-CD1 4.24Å; L159-L176 HydrophobicContact CD2-CD2 4.31Å; L159-F179 HydrophobicContact CD1-CD1 3.86Å; L159-F179 HydrophobicContact CD1-CE1 4.3Å; L159-K180 HydrophobicContact CB-CD 4.48Å; L159-K180 HydrophobicContact CD1-CB 4.36Å
160D98.7Very high98.6Very high17 Ų1722.6 Ų22.69%0.09111%0.114CC..Hα-helixtrans-58.2-43.2176.8-167.662.4000111.2K11 Y156 D157 Y164 K180K11-D160 IonicContact NZ-OD2 3.82Å; K11-D160 PolarHBondContact NZ-OD2 3.17Å; Y156-D160 WeakPolarHBondContact O-CB 3.44Å; Y156-D160 PolarHBondContact O-N 3.01Å; D157-D160 PolarHBondContact O-N 3.39Å; D160-Y164 WeakPolarHBondContact O-CD2 3.47Å; D160-K180 IonicContact OD1-NZ 2.62Å; D160-K180 PolarHBondContact OD1-NZ 3.44Å
161V98.7Very high98.6Very high0 Ų027.5 Ų27.50%014%0.14CC..Hα-helixtrans-67.7-46.3179.3171.60000112.6V106 D157 A158 L159 L163 Y164 M165 L203 F210V106-V161 HydrophobicContact CB-CG1 4.32Å; V106-V161 HydrophobicContact CG1-CG1 3.75Å; V106-V161 HydrophobicContact CG2-CG1 4.24Å; D157-V161 VanDerWaalsContact O-CG2 3.31Å; D157-V161 WeakPolarHBondContact O-CG2 3.41Å; D157-V161 PolarHBondContact O-N 2.89Å; A158-V161 PolarHBondContact O-N 3.32Å; L159-V161 VanDerWaalsContact C-N 3.28Å; L159-V161 PolarHBondContact O-N 2.58Å; V161-L163 VanDerWaalsContact C-N 3.3Å; V161-L163 PolarHBondContact O-N 2.92Å; V161-Y164 PolarHBondContact O-N 2.8Å; V161-M165 PolarHBondContact O-N 3.03Å; V161-L203 HydrophobicContact CG1-CD1 4.36Å; V161-L203 HydrophobicContact CG2-CB 4.37Å; V161-L203 HydrophobicContact CG2-CD1 4.49Å; V161-F210 HydrophobicContact CG1-CE1 4.16Å
162V98.7Very high98.6Very high0 Ų034.2 Ų34.20%018%0.176CC..Hα-helixtrans-69.8-27.7-178.7-62.40000112.5I102 V106 F122 L126 A158 L159 Y164 M165 D166I102-V162 HydrophobicContact CG2-CG1 3.87Å; V106-V162 HydrophobicContact CG2-CG1 3.9Å; F122-V162 HydrophobicContact CE1-CG1 4.12Å; F122-V162 HydrophobicContact CZ-CG1 4.14Å; L126-V162 HydrophobicContact CD1-CG1 4.25Å; L126-V162 HydrophobicContact CD2-CB 4Å; L126-V162 HydrophobicContact CD2-CG1 4.13Å; L126-V162 HydrophobicContact CD2-CG2 4.38Å; A158-V162 WeakPolarHBondContact O-CG2 3.49Å; A158-V162 PolarHBondContact O-N 2.73Å; L159-V162 WeakPolarHBondContact O-CG2 3.3Å; L159-V162 PolarHBondContact O-N 3.03Å; V162-Y164 VanDerWaalsContact C-N 3.27Å; V162-Y164 PolarHBondContact O-N 2.84Å; V162-M165 WeakPolarHBondContact O-CA 3.43Å; V162-M165 WeakPolarHBondContact O-CB 3.17Å; V162-M165 PolarHBondContact O-N 2.94Å; V162-D166 PolarHBondContact O-N 2.95Å
163L98.5Very high98.6Very high42 Ų4235 Ų3522%0.2218%0.179CC..Hα-helixtrans-64.9-29.1172.9-78.8168.1000113.1L159 V161 M165 D166 P167 L170 K180L159-L163 WeakPolarHBondContact O-CB 3.43Å; L159-L163 WeakPolarHBondContact O-CD1 3.39Å; L159-L163 VanDerWaalsContact O-CG 3.3Å; L159-L163 WeakPolarHBondContact O-CG 3.5Å; L159-L163 PolarHBondContact O-N 3.24Å; L159-L163 VanDerWaalsContact O-N 3.07Å; V161-L163 VanDerWaalsContact C-N 3.3Å; V161-L163 PolarHBondContact O-N 2.92Å; L163-M165 VanDerWaalsContact C-N 3.3Å; L163-D166 CarbonylContact O-C 3.56Å; L163-P167 WeakPolarHBondContact O-CA 3.49Å; L163-L170 HydrophobicContact CD1-CD1 3.82Å; L163-L170 HydrophobicContact CD2-CB 4.36Å; L163-L170 HydrophobicContact CD2-CD1 3.89Å; L163-L170 HydrophobicContact CD2-CG 3.83Å; L163-L170 HydrophobicContact CG-CD1 3.9Å; L163-L170 HydrophobicContact CG-CG 4.21Å; L163-K180 HydrophobicContact CD1-CD 3.73Å
164Y98.1Very high98.5Very high78 Ų7838.6 Ų38.631%0.30620%0.203SC..Hα-helixtrans-71.8-25.5169.4-86.6-83.4000112.6D160 V161 V162 W201 L203 P216D160-Y164 WeakPolarHBondContact O-CD2 3.47Å; V161-Y164 PolarHBondContact O-N 2.8Å; V162-Y164 VanDerWaalsContact C-N 3.27Å; V162-Y164 PolarHBondContact O-N 2.84Å; Y164-W201 HydrophobicContact CD1-CH2 4.47Å; Y164-W201 AromaticContact CD1-CZ3 3.72Å; Y164-W201 HydrophobicContact CD1-CZ3 3.72Å; Y164-W201 HydrophobicContact CE1-CE3 4.24Å; Y164-W201 AromaticContact CE1-CZ3 3.74Å; Y164-W201 HydrophobicContact CE1-CZ3 3.74Å; Y164-W201 HydrophobicContact CG-CZ3 4.2Å; Y164-L203 HydrophobicContact CD2-CD1 3.85Å; Y164-L203 HydrophobicContact CD2-CD2 4.09Å; Y164-L203 HydrophobicContact CE2-CD2 4.19Å; Y164-L203 HydrophobicContact CG-CD1 3.8Å; Y164-P216 HydrophobicContact CE1-CB 4.31Å
165M97.9Very high98.5Very high5 Ų542.1 Ų42.13%0.02522%0.218CC..Hα-helixtrans-80.1-44.5178.6-173.1175.7-63.600111.7V106 I109 F115 K119 F122 L123 V161 V162 L163 F210V106-M165 HydrophobicContact CB-CE 4.27Å; V106-M165 HydrophobicContact CG1-CE 3.65Å; V106-M165 HydrophobicContact CG2-CE 3.95Å; I109-M165 HydrophobicContact CD1-CE 4.34Å; F115-M165 HydrophobicContact CE2-CE 3.82Å; F115-M165 HydrophobicContact CZ-CE 3.99Å; F115-M165 HydrophobicContact CZ-CG 4.3Å; F115-M165 HydrophobicContact CZ-SD 4.44Å; K119-M165 HydrophobicContact CD-CG 3.99Å; K119-M165 WeakPolarHBondContact CE-O 3.47Å; K119-M165 HydrophobicContact CG-CG 4.02Å; K119-M165 HydrophobicContact CG-SD 4Å; K119-M165 PolarHBondContact NZ-O 2.85Å; F122-M165 HydrophobicContact CD1-CE 4.33Å; F122-M165 HydrophobicContact CD1-SD 3.52Å; F122-M165 VanDerWaalsContact CD1-SD 3.52Å; F122-M165 HydrophobicContact CE1-CE 4.35Å; F122-M165 HydrophobicContact CE1-SD 3.79Å; L123-M165 HydrophobicContact CD2-CG 4.28Å; L123-M165 HydrophobicContact CD2-SD 4.09Å; L123-M165 HydrophobicContact CG-SD 4.31Å; V161-M165 PolarHBondContact O-N 3.03Å; V162-M165 WeakPolarHBondContact O-CA 3.43Å; V162-M165 WeakPolarHBondContact O-CB 3.17Å; V162-M165 PolarHBondContact O-N 2.94Å; L163-M165 VanDerWaalsContact C-N 3.3Å; M165-F210 HydrophobicContact CB-CE1 4.3Å; M165-F210 HydrophobicContact CB-CE2 3.83Å; M165-F210 HydrophobicContact CB-CZ 3.59Å; M165-F210 HydrophobicContact CE-CD1 3.79Å; M165-F210 HydrophobicContact CE-CE1 3.63Å; M165-F210 HydrophobicContact CE-CG 4.32Å; M165-F210 HydrophobicContact CE-CZ 4.04Å; M165-F210 HydrophobicContact CG-CE2 4.33Å; M165-F210 HydrophobicContact CG-CZ 4.36Å
166D98.1Very high98.5Very high50 Ų5042.1 Ų42.127%0.26722%0.218SC..  trans-145.3106.4173.6175.212.8000109.5L123 V162 L163 K168 C169L123-D166 HydrophobicContact CD1-CB 3.99Å; L123-D166 HydrophobicContact CD2-CB 3.9Å; V162-D166 PolarHBondContact O-N 2.95Å; L163-D166 CarbonylContact O-C 3.56Å; D166-K168 PolarHBondContact O-N 3.1Å; D166-K168 PolarHBondContact OD1-N 3.2Å; D166-C169 HydrophobicContact CB-CB 4.07Å; D166-C169 WeakPolarHBondContact O-CB 3.49Å; D166-C169 PolarHBondContact O-N 3.11Å; D166-C169 VanDerWaalsContact O-N 3.13Å; D166-C169 PolarHBondContact O-SG 2.98Å
167P97.8Very high98.5Very high96 Ų9644.8 Ų44.862%0.62323%0.232SC*.THydrogen-bonded Turntrans-61.1-17.2-179.6-25.435000114.8L163L163-P167 WeakPolarHBondContact O-CA 3.49Å
168K98.3Very high98.5Very high147 Ų14747.1 Ų47.164%0.63925%0.249SC*.THydrogen-bonded Turntrans-100.1-0.6-178.6-62.7-174.9179.6-178.40113.4D166 L170 D171D166-K168 PolarHBondContact O-N 3.1Å; D166-K168 PolarHBondContact OD1-N 3.2Å; K168-L170 PolarHBondContact O-N 3.02Å; K168-D171 WeakPolarHBondContact CB-OD2 3.01Å; K168-D171 WeakPolarHBondContact O-CB 3.07Å; K168-D171 PolarHBondContact O-N 2.87Å
169C98.5Very high98.5Very high16 Ų1647.1 Ų47.111%0.10825%0.249CC..THydrogen-bonded Turntrans-62.3-17.7-175.2680000113.6L126 D166 F173L126-C169 HydrophobicContact CD2-CB 4.02Å; D166-C169 HydrophobicContact CB-CB 4.07Å; D166-C169 WeakPolarHBondContact O-CB 3.49Å; D166-C169 PolarHBondContact O-N 3.11Å; D166-C169 VanDerWaalsContact O-N 3.13Å; D166-C169 PolarHBondContact O-SG 2.98Å; C169-F173 WeakPolarHBondContact O-CD2 3.42Å; C169-F173 WeakPolarHBondContact O-CE2 3.38Å
170L98.7Very high98.5Very high5 Ų548.2 Ų48.23%0.02625%0.254CS..THydrogen-bonded Turntrans-99.4-1.7178-56.2-169.1000114.7L130 L159 L163 K168 N172 F173 L176 I177L130-L170 HydrophobicContact CD1-CD2 3.66Å; L130-L170 HydrophobicContact CD2-CD2 4.21Å; L159-L170 HydrophobicContact CD2-CD1 4.09Å; L159-L170 HydrophobicContact CD2-CD2 3.84Å; L163-L170 HydrophobicContact CD1-CD1 3.82Å; L163-L170 HydrophobicContact CD2-CB 4.36Å; L163-L170 HydrophobicContact CD2-CD1 3.89Å; L163-L170 HydrophobicContact CD2-CG 3.83Å; L163-L170 HydrophobicContact CG-CD1 3.9Å; L163-L170 HydrophobicContact CG-CG 4.21Å; K168-L170 PolarHBondContact O-N 3.02Å; L170-N172 PolarHBondContact O-N 3.31Å; L170-N172 VanDerWaalsContact O-N 3.07Å; L170-F173 WeakPolarHBondContact O-CA 3.28Å; L170-F173 PolarHBondContact O-N 2.9Å; L170-L176 HydrophobicContact CD2-CD1 4.41Å; L170-I177 HydrophobicContact CB-CD1 4.4Å; L170-I177 HydrophobicContact CB-CG1 3.94Å; L170-I177 WeakPolarHBondContact O-CD1 3.46Å
171D98.5Very high98.5Very high102 Ų10252.2 Ų52.255%0.54527%0.271SS..THydrogen-bonded Turntrans-57.9-30.3-172.8-750.4000112.9K168K168-D171 WeakPolarHBondContact CB-OD2 3.01Å; K168-D171 WeakPolarHBondContact O-CB 3.07Å; K168-D171 PolarHBondContact O-N 2.87Å
172N98.2Very high98.5Very high141 Ų14155.8 Ų55.875%0.75429%0.285SS*.THydrogen-bonded Turntrans-93.27.7178-64.2-44.7000114L170L170-N172 PolarHBondContact O-N 3.31Å; L170-N172 VanDerWaalsContact O-N 3.07Å
173F98.7Very high98.5Very high16 Ų1655.8 Ų55.87%0.0729%0.285CS..  trans-13067.1-172.7-56-73.4000111.6P127 L130 K131 E134 C169 L170 K175 L176 I177P127-F173 HydrophobicContact CB-CE2 4.47Å; P127-F173 HydrophobicContact CB-CZ 4.06Å; P127-F173 WeakPolarHBondContact O-CZ 3.49Å; L130-F173 HydrophobicContact CB-CD1 4.3Å; L130-F173 HydrophobicContact CB-CD2 4.11Å; L130-F173 HydrophobicContact CB-CE1 4.05Å; L130-F173 HydrophobicContact CB-CE2 3.85Å; L130-F173 HydrophobicContact CB-CG 4.33Å; L130-F173 HydrophobicContact CB-CZ 3.82Å; L130-F173 HydrophobicContact CD1-CD2 3.93Å; L130-F173 HydrophobicContact CD1-CE2 3.76Å; L130-F173 HydrophobicContact CD1-CZ 4.5Å; L130-F173 HydrophobicContact CG-CE2 4.48Å; K131-F173 HydrophobicContact CB-CE1 4.09Å; K131-F173 HydrophobicContact CD-CE1 4.32Å; E134-F173 HydrophobicContact CB-CD1 3.83Å; E134-F173 HydrophobicContact CG-CD1 3.97Å; E134-F173 VanDerWaalsContact OE2-C 3.26Å; E134-F173 WeakPolarHBondContact OE2-CA 3.28Å; E134-F173 WeakPolarHBondContact OE2-CB 3.12Å; C169-F173 WeakPolarHBondContact O-CD2 3.42Å; C169-F173 WeakPolarHBondContact O-CE2 3.38Å; L170-F173 WeakPolarHBondContact O-CA 3.28Å; L170-F173 PolarHBondContact O-N 2.9Å; F173-K175 VanDerWaalsContact C-N 3.26Å; F173-K175 PolarHBondContact O-N 3.12Å; F173-L176 HydrophobicContact CB-CB 4.01Å; F173-L176 HydrophobicContact CB-CD1 3.81Å; F173-L176 HydrophobicContact CB-CG 4.18Å; F173-L176 HydrophobicContact CD1-CD1 4.48Å; F173-L176 HydrophobicContact CG-CD1 4.13Å; F173-L176 PolarHBondContact O-N 2.8Å; F173-L176 VanDerWaalsContact O-N 3.13Å; F173-I177 PolarHBondContact O-N 2.95Å; F173-I177 VanDerWaalsContact O-N 3.11Å
174P98.5Very high98.5Very high76 Ų7656.5 Ų56.549%0.49429%0.287SS..Hα-helixtrans-61.9-27.5-174.425.2-35.5000114E134 S178E134-P174 VanDerWaalsContact OE1-CD 3.26Å; E134-P174 WeakPolarHBondContact OE1-CD 3.35Å; P174-S178 WeakPolarHBondContact O-CB 3.32Å; P174-S178 PolarHBondContact O-N 3.47Å; P174-S178 PolarHBondContact O-OG 2.9Å
175K98.7Very high98.5Very high82 Ų8257.6 Ų57.636%0.35730%0.299SS..Hα-helixtrans-75.1-34176.4-58.3178.9-169.3-55.90111.6E134 L137 S138 F173 S178 F179E134-K175 WeakPolarHBondContact OE1-CB 3.42Å; E134-K175 VanDerWaalsContact OE1-CG 3.27Å; E134-K175 WeakPolarHBondContact OE1-CG 3.16Å; E134-K175 PolarHBondContact OE1-N 3.38Å; E134-K175 WeakPolarHBondContact OE2-CA 3.48Å; E134-K175 WeakPolarHBondContact OE2-CB 3.22Å; E134-K175 PolarHBondContact OE2-N 3.21Å; E134-K175 VanDerWaalsContact OE2-N 3.13Å; L137-K175 HydrophobicContact CB-CB 4.04Å; L137-K175 HydrophobicContact CB-CD 4.49Å; S138-K175 WeakPolarHBondContact OG-CD 3.3Å; S138-K175 WeakPolarHBondContact OG-CE 3.37Å; F173-K175 VanDerWaalsContact C-N 3.26Å; F173-K175 PolarHBondContact O-N 3.12Å; K175-S178 PolarHBondContact O-N 3.43Å; K175-F179 WeakPolarHBondContact O-CB 3.09Å; K175-F179 PolarHBondContact O-N 3.13Å
176L98.9Very high98.6Very high0 Ų058.6 Ų58.60%030%0.304CS..Hα-helixtrans-64.8-40.7170.3-71.7177.7000112.3L130 F133 E134 L137 L155 L159 L170 F173 F179 K180L130-L176 HydrophobicContact CB-CD1 3.81Å; L130-L176 HydrophobicContact CD2-CD1 3.88Å; L130-L176 HydrophobicContact CG-CD1 4.33Å; F133-L176 HydrophobicContact CB-CD2 3.75Å; E134-L176 PolarHBondContact OE2-N 3.11Å; L137-L176 HydrophobicContact CD1-CD2 3.68Å; L137-L176 HydrophobicContact CD1-CG 4.47Å; L155-L176 HydrophobicContact CD2-CD2 4.04Å; L159-L176 HydrophobicContact CD1-CB 4.44Å; L159-L176 HydrophobicContact CD1-CD2 4.16Å; L159-L176 HydrophobicContact CD2-CB 4.48Å; L159-L176 HydrophobicContact CD2-CD1 4.24Å; L159-L176 HydrophobicContact CD2-CD2 4.31Å; L170-L176 HydrophobicContact CD2-CD1 4.41Å; F173-L176 HydrophobicContact CB-CB 4.01Å; F173-L176 HydrophobicContact CB-CD1 3.81Å; F173-L176 HydrophobicContact CB-CG 4.18Å; F173-L176 HydrophobicContact CD1-CD1 4.48Å; F173-L176 HydrophobicContact CG-CD1 4.13Å; F173-L176 PolarHBondContact O-N 2.8Å; F173-L176 VanDerWaalsContact O-N 3.13Å; L176-F179 PolarHBondContact O-N 3.07Å; L176-K180 PolarHBondContact O-N 2.87Å
177I98.7Very high98.6Very high61 Ų6160.5 Ų60.531%0.31332%0.319SS..Hα-helixtrans-58.7-50.2172-64.1173.2000110L170 F173 F179 K180 Q181L170-I177 HydrophobicContact CB-CD1 4.4Å; L170-I177 HydrophobicContact CB-CG1 3.94Å; L170-I177 WeakPolarHBondContact O-CD1 3.46Å; F173-I177 PolarHBondContact O-N 2.95Å; F173-I177 VanDerWaalsContact O-N 3.11Å; I177-F179 VanDerWaalsContact C-N 3.29Å; I177-F179 PolarHBondContact O-N 2.99Å; I177-K180 PolarHBondContact O-N 3.23Å; I177-Q181 WeakPolarHBondContact O-CG 3.32Å; I177-Q181 PolarHBondContact O-N 3.24Å; I177-Q181 VanDerWaalsContact O-N 3.09Å
178S98.4Very high98.6Very high54 Ų5458 Ų5838%0.37830%0.302SS..Hα-helixtrans-61.5-37.3178.6-58.10000112.2P174 K175 R182P174-S178 WeakPolarHBondContact O-CB 3.32Å; P174-S178 PolarHBondContact O-N 3.47Å; P174-S178 PolarHBondContact O-OG 2.9Å; K175-S178 PolarHBondContact O-N 3.43Å; S178-R182 WeakPolarHBondContact O-CB 3.44Å; S178-R182 PolarHBondContact O-N 2.97Å
179F98.8Very high98.7Very high0 Ų051 Ų510%027%0.272CS..Hα-helixtrans-65.3-48176.4170.5-90.3000111.9L137 Y142 L143 D152 L155 L159 K175 L176 I177 Q181 R182 I183L137-F179 HydrophobicContact CD1-CB 3.68Å; L137-F179 HydrophobicContact CD1-CD2 4.06Å; L137-F179 HydrophobicContact CD1-CG 3.89Å; L137-F179 HydrophobicContact CD2-CB 4.48Å; L137-F179 HydrophobicContact CD2-CD2 3.68Å; L137-F179 HydrophobicContact CD2-CE2 4.34Å; L137-F179 HydrophobicContact CD2-CG 4.35Å; Y142-F179 HydrophobicContact CD1-CE2 4.38Å; L143-F179 HydrophobicContact CG-CE2 4.42Å; D152-F179 HydrophobicContact CB-CE2 4.19Å; D152-F179 HydrophobicContact CB-CZ 3.91Å; D152-F179 WeakPolarHBondContact O-CZ 3.47Å; D152-F179 VanDerWaalsContact OD1-CE2 3.32Å; D152-F179 WeakPolarHBondContact OD1-CE2 3.43Å; L155-F179 HydrophobicContact CB-CE1 4.03Å; L155-F179 HydrophobicContact CB-CZ 4.28Å; L155-F179 HydrophobicContact CD2-CD1 4.13Å; L155-F179 HydrophobicContact CD2-CE1 3.77Å; L155-F179 HydrophobicContact CD2-CZ 4.1Å; L155-F179 HydrophobicContact CG-CD1 4.42Å; L155-F179 HydrophobicContact CG-CE1 3.85Å; L155-F179 HydrophobicContact CG-CZ 4.43Å; L159-F179 HydrophobicContact CD1-CD1 3.86Å; L159-F179 HydrophobicContact CD1-CE1 4.3Å; K175-F179 WeakPolarHBondContact O-CB 3.09Å; K175-F179 PolarHBondContact O-N 3.13Å; L176-F179 PolarHBondContact O-N 3.07Å; I177-F179 VanDerWaalsContact C-N 3.29Å; I177-F179 PolarHBondContact O-N 2.99Å; F179-Q181 VanDerWaalsContact C-N 3.31Å; F179-Q181 PolarHBondContact O-N 3.43Å; F179-R182 WeakPolarHBondContact O-CB 3.48Å; F179-R182 PolarHBondContact O-N 3.21Å; F179-R182 VanDerWaalsContact O-N 3.09Å; F179-I183 HydrophobicContact CD1-CG1 4.49Å; F179-I183 HydrophobicContact CE1-CG1 4Å; F179-I183 HydrophobicContact CE2-CD1 4.25Å; F179-I183 HydrophobicContact CE2-CG1 4.18Å; F179-I183 HydrophobicContact CZ-CD1 4.11Å; F179-I183 HydrophobicContact CZ-CG1 3.83Å; F179-I183 WeakPolarHBondContact O-CG1 3.35Å; F179-I183 PolarHBondContact O-N 3.39Å
180K98.9Very high98.7Very high25 Ų2555.2 Ų55.211%0.10929%0.289CS..Hα-helixtrans-56.8-48176.8-170.2178.3-164.7-76.40110.8Y156 L159 D160 L163 L176 I177 R182 I183 E184Y156-K180 HydrophobicContact CD2-CG 3.87Å; Y156-K180 HydrophobicContact CE2-CG 3.81Å; L159-K180 HydrophobicContact CB-CD 4.48Å; L159-K180 HydrophobicContact CD1-CB 4.36Å; D160-K180 IonicContact OD1-NZ 2.62Å; D160-K180 PolarHBondContact OD1-NZ 3.44Å; L163-K180 HydrophobicContact CD1-CD 3.73Å; L176-K180 PolarHBondContact O-N 2.87Å; I177-K180 PolarHBondContact O-N 3.23Å; K180-R182 VanDerWaalsContact C-N 3.32Å; K180-R182 PolarHBondContact O-N 3.13Å; K180-I183 PolarHBondContact O-N 3.39Å; K180-E184 IonicContact NZ-OE1 3.07Å; K180-E184 PolarHBondContact NZ-OE1 3.24Å; K180-E184 WeakPolarHBondContact O-CG 3.28Å; K180-E184 PolarHBondContact O-N 3.22Å
181Q98.7Very high98.7Very high100 Ų10060.5 Ų60.547%0.46732%0.317SS..Hα-helixtrans-61.6-37.9176.5-69.8174.7-13.500112.6I177 F179 E184 N185I177-Q181 WeakPolarHBondContact O-CG 3.32Å; I177-Q181 PolarHBondContact O-N 3.24Å; I177-Q181 VanDerWaalsContact O-N 3.09Å; F179-Q181 VanDerWaalsContact C-N 3.31Å; F179-Q181 PolarHBondContact O-N 3.43Å; Q181-E184 PolarHBondContact O-N 3.49Å; Q181-N185 VanDerWaalsContact O-CB 3.32Å; Q181-N185 WeakPolarHBondContact O-CB 3.34Å; Q181-N185 VanDerWaalsContact O-CG 3.32Å; Q181-N185 PolarHBondContact O-N 3.34Å; Q181-N185 PolarHBondContact O-ND2 2.9Å
182R98.7Very high98.7Very high76 Ų7655.6 Ų55.629%0.28729%0.291SS..Hα-helixtrans-62.3-44.3176.9-171-175.3-56.7109.57.1111.4T141 Y142 S178 F179 K180 N185 L186T141-R182 PolarHBondContact O-NH1 2.71Å; Y142-R182 HydrophobicContact CE1-CG 4.18Å; S178-R182 WeakPolarHBondContact O-CB 3.44Å; S178-R182 PolarHBondContact O-N 2.97Å; F179-R182 WeakPolarHBondContact O-CB 3.48Å; F179-R182 PolarHBondContact O-N 3.21Å; F179-R182 VanDerWaalsContact O-N 3.09Å; K180-R182 VanDerWaalsContact C-N 3.32Å; K180-R182 PolarHBondContact O-N 3.13Å; R182-N185 PolarHBondContact O-N 2.96Å; R182-L186 PolarHBondContact O-N 2.87Å
183I98.8Very high98.7Very high0 Ų050.4 Ų50.40%026%0.263CS..Hα-helixtrans-64.2-45.1176.9-61.9-64.3000110.9Y142 D152 F153 Y156 F179 K180 N185 L186 I189Y142-I183 HydrophobicContact CD1-CD1 4.14Å; Y142-I183 HydrophobicContact CE1-CD1 3.9Å; D152-I183 HydrophobicContact CB-CD1 4.03Å; F153-I183 HydrophobicContact CD1-CG2 4.22Å; F153-I183 HydrophobicContact CE1-CG2 4.27Å; Y156-I183 HydrophobicContact CD1-CG2 4.32Å; Y156-I183 HydrophobicContact CD2-CB 3.86Å; Y156-I183 HydrophobicContact CD2-CG2 3.67Å; Y156-I183 HydrophobicContact CE2-CG2 4.3Å; Y156-I183 HydrophobicContact CG-CB 4.27Å; Y156-I183 HydrophobicContact CG-CG2 3.68Å; F179-I183 HydrophobicContact CD1-CG1 4.49Å; F179-I183 HydrophobicContact CE1-CG1 4Å; F179-I183 HydrophobicContact CE2-CD1 4.25Å; F179-I183 HydrophobicContact CE2-CG1 4.18Å; F179-I183 HydrophobicContact CZ-CD1 4.11Å; F179-I183 HydrophobicContact CZ-CG1 3.83Å; F179-I183 WeakPolarHBondContact O-CG1 3.35Å; F179-I183 PolarHBondContact O-N 3.39Å; K180-I183 PolarHBondContact O-N 3.39Å; I183-N185 PolarHBondContact O-N 3.35Å; I183-L186 HydrophobicContact CD1-CD1 4.17Å; I183-L186 WeakPolarHBondContact O-CB 3.41Å; I183-L186 PolarHBondContact O-N 3.06Å; I183-I189 HydrophobicContact CG2-CG2 4.39Å; I183-I189 WeakPolarHBondContact O-CB 3.38Å; I183-I189 WeakPolarHBondContact O-CG2 3.29Å
184E98.8Very high98.7Very high56 Ų5656.1 Ų56.126%0.26229%0.294SS..Hα-helixtrans-62.7-27.8177.8-69.6169.6169.400113.4Y156 K180 Q181 K190 L193Y156-E184 HydrophobicContact CE2-CG 3.52Å; K180-E184 IonicContact NZ-OE1 3.07Å; K180-E184 PolarHBondContact NZ-OE1 3.24Å; K180-E184 WeakPolarHBondContact O-CG 3.28Å; K180-E184 PolarHBondContact O-N 3.22Å; Q181-E184 PolarHBondContact O-N 3.49Å; E184-K190 WeakPolarHBondContact O-CB 3.32Å; E184-L193 HydrophobicContact CB-CD1 4.48Å; E184-L193 HydrophobicContact CG-CD1 4.12Å
185N98.7Very high98.7Very high102 Ų10254 Ų5455%0.54528%0.281SS..THydrogen-bonded Turntrans-90.1-4.9-179.7-76.1-48.8000114.2Q181 R182 I183 P187Q181-N185 VanDerWaalsContact O-CB 3.32Å; Q181-N185 WeakPolarHBondContact O-CB 3.34Å; Q181-N185 VanDerWaalsContact O-CG 3.32Å; Q181-N185 PolarHBondContact O-N 3.34Å; Q181-N185 PolarHBondContact O-ND2 2.9Å; R182-N185 PolarHBondContact O-N 2.96Å; I183-N185 PolarHBondContact O-N 3.35Å; N185-P187 WeakPolarHBondContact O-CD 3.45Å
186L98.6Very high98.6Very high26 Ų2658 Ų5814%0.13631%0.307CS..SBendtrans-60122.4167.6-72171.6000108.4Y23 V148 F153 R182 I183 I189 K190Y23-L186 HydrophobicContact CD2-CD1 4.04Å; Y23-L186 HydrophobicContact CE2-CD1 4.07Å; Y23-L186 HydrophobicContact CE2-CD2 4.43Å; V148-L186 HydrophobicContact CG2-CD1 4.21Å; F153-L186 HydrophobicContact CE1-CD1 4.48Å; R182-L186 PolarHBondContact O-N 2.87Å; I183-L186 HydrophobicContact CD1-CD1 4.17Å; I183-L186 WeakPolarHBondContact O-CB 3.41Å; I183-L186 PolarHBondContact O-N 3.06Å; L186-I189 HydrophobicContact CB-CB 4.09Å; L186-I189 HydrophobicContact CB-CG1 3.9Å; L186-I189 HydrophobicContact CD1-CG1 4.21Å; L186-I189 PolarHBondContact O-N 3.28Å; L186-K190 PolarHBondContact O-N 2.92Å
187P98.7Very high98.5Very high89 Ų8963.8 Ų63.858%0.57833%0.328SS*.Hα-helixtrans-48.6-47.2-175.8-28.434.3000115.4N185 I189 K190 N191N185-P187 WeakPolarHBondContact O-CD 3.45Å; P187-I189 PolarHBondContact O-N 2.94Å; P187-K190 PolarHBondContact O-N 3.2Å; P187-N191 WeakPolarHBondContact O-CB 3.35Å; P187-N191 PolarHBondContact O-N 3.17Å; P187-N191 PolarHBondContact O-ND2 3.15Å
188P98.6Very high98.5Very high43 Ų4363 Ų6328%0.27932%0.321SS..Hα-helixtrans-62.8-40177.122.6-32.9000112.8E22 Y23 N191 Y192E22-P188 WeakPolarHBondContact O-CB 3.48Å; Y23-P188 HydrophobicContact CD2-CG 4.11Å; P188-N191 PolarHBondContact O-N 3.1Å; P188-Y192 PolarHBondContact O-N 2.8Å
189I98.8Very high98.5Very high0 Ų061 Ų610%031%0.307CS..Hα-helixtrans-68.8-45.5178.9-58.2-54.8000110.9L19 E22 F153 I183 L186 P187 N191 Y192 L193L19-I189 HydrophobicContact CB-CD1 4.38Å; L19-I189 HydrophobicContact CD2-CD1 4.15Å; L19-I189 HydrophobicContact CD2-CG2 4.14Å; L19-I189 VanDerWaalsContact O-CD1 3.31Å; L19-I189 WeakPolarHBondContact O-CD1 3.43Å; E22-I189 HydrophobicContact CB-CD1 4.33Å; F153-I189 HydrophobicContact CD1-CD1 4.43Å; F153-I189 HydrophobicContact CE1-CD1 3.79Å; F153-I189 HydrophobicContact CE1-CG1 4.03Å; F153-I189 HydrophobicContact CZ-CD1 4.42Å; I183-I189 HydrophobicContact CG2-CG2 4.39Å; I183-I189 WeakPolarHBondContact O-CB 3.38Å; I183-I189 WeakPolarHBondContact O-CG2 3.29Å; L186-I189 HydrophobicContact CB-CB 4.09Å; L186-I189 HydrophobicContact CB-CG1 3.9Å; L186-I189 HydrophobicContact CD1-CG1 4.21Å; L186-I189 PolarHBondContact O-N 3.28Å; P187-I189 PolarHBondContact O-N 2.94Å; I189-N191 VanDerWaalsContact C-N 3.26Å; I189-N191 PolarHBondContact O-N 3.49Å; I189-Y192 PolarHBondContact O-N 3.36Å; I189-Y192 VanDerWaalsContact O-N 3.14Å; I189-L193 HydrophobicContact CG2-CD1 3.85Å; I189-L193 HydrophobicContact CG2-CG 4.09Å; I189-L193 VanDerWaalsContact O-CG 3.3Å; I189-L193 WeakPolarHBondContact O-CG 3.27Å; I189-L193 PolarHBondContact O-N 3.3Å
190K98.7Very high98.5Very high106 Ų10666.8 Ų66.846%0.46133%0.332SS..Hα-helixtrans-56.2-43.5175.6-169171.9-178.7171.40111.3E184 L186 P187 N194E184-K190 WeakPolarHBondContact O-CB 3.32Å; L186-K190 PolarHBondContact O-N 2.92Å; P187-K190 PolarHBondContact O-N 3.2Å; K190-N194 PolarHBondContact O-N 3.29Å; K190-N194 PolarHBondContact O-ND2 2.88Å
191N98.7Very high98.5Very high115 Ų11567 Ų6762%0.61533%0.332SS*.Hα-helixtrans-64-45.6176.9-70.1-15.4000111.4P187 P188 I189 N194 S195P187-N191 WeakPolarHBondContact O-CB 3.35Å; P187-N191 PolarHBondContact O-N 3.17Å; P187-N191 PolarHBondContact O-ND2 3.15Å; P188-N191 PolarHBondContact O-N 3.1Å; I189-N191 VanDerWaalsContact C-N 3.26Å; I189-N191 PolarHBondContact O-N 3.49Å; N191-N194 PolarHBondContact O-N 2.94Å; N191-S195 PolarHBondContact O-N 3.13Å; N191-S195 VanDerWaalsContact O-N 3.15Å
192Y98.7Very high98.5Very high0 Ų062.3 Ų62.30%031%0.31CS..Hα-helixtrans-59.8-49.1176.8169.6-119.8000112.3Q15 R18 L19 E22 P188 I189 N194 S195 R197 Y198Q15-Y192 PolarHBondContact NE2-OH 3.45Å; R18-Y192 VanDerWaalsContact CD-OH 3.27Å; R18-Y192 WeakPolarHBondContact CD-OH 3.23Å; L19-Y192 HydrophobicContact CD2-CD1 3.83Å; L19-Y192 HydrophobicContact CD2-CE1 3.79Å; L19-Y192 HydrophobicContact CG-CE1 4.4Å; E22-Y192 HydrophobicContact CB-CD1 4.48Å; E22-Y192 HydrophobicContact CB-CG 4.22Å; E22-Y192 VanDerWaalsContact CD-CD2 3.46Å; E22-Y192 HydrophobicContact CG-CD1 3.93Å; E22-Y192 HydrophobicContact CG-CD2 3.63Å; E22-Y192 HydrophobicContact CG-CE1 4.35Å; E22-Y192 HydrophobicContact CG-CE2 4.1Å; E22-Y192 HydrophobicContact CG-CG 3.52Å; E22-Y192 VanDerWaalsContact OE1-CD2 3.26Å; E22-Y192 WeakPolarHBondContact OE1-CD2 3.32Å; P188-Y192 PolarHBondContact O-N 2.8Å; I189-Y192 PolarHBondContact O-N 3.36Å; I189-Y192 VanDerWaalsContact O-N 3.14Å; Y192-N194 PolarHBondContact O-N 3.25Å; Y192-N194 VanDerWaalsContact O-N 3.15Å; Y192-S195 VanDerWaalsContact O-CB 3.3Å; Y192-S195 WeakPolarHBondContact O-CB 3.32Å; Y192-S195 PolarHBondContact O-N 2.96Å; Y192-S195 PolarHBondContact O-OG 2.91Å; Y192-R197 HydrophobicContact CD2-CG 4.04Å; Y192-R197 HydrophobicContact CE2-CG 3.98Å; Y192-Y198 AromaticContact CE1-CD2 3.92Å; Y192-Y198 HydrophobicContact CE1-CD2 3.92Å; Y192-Y198 WeakPolarHBondContact O-CB 3.22Å
193L98.6Very high98.5Very high32 Ų3258.7 Ų58.717%0.16830%0.297CS..Hα-helixtrans-62.5-22.8-178.9-65.5176.6000113.5E184 I189 Y198E184-L193 HydrophobicContact CB-CD1 4.48Å; E184-L193 HydrophobicContact CG-CD1 4.12Å; I189-L193 HydrophobicContact CG2-CD1 3.85Å; I189-L193 HydrophobicContact CG2-CG 4.09Å; I189-L193 VanDerWaalsContact O-CG 3.3Å; I189-L193 WeakPolarHBondContact O-CG 3.27Å; I189-L193 PolarHBondContact O-N 3.3Å; L193-Y198 HydrophobicContact CD2-CD1 4.27Å; L193-Y198 HydrophobicContact CD2-CD2 3.85Å; L193-Y198 HydrophobicContact CD2-CE1 4Å; L193-Y198 HydrophobicContact CD2-CE2 3.59Å; L193-Y198 HydrophobicContact CD2-CG 4.2Å; L193-Y198 VanDerWaalsContact O-CD1 3.26Å; L193-Y198 WeakPolarHBondContact O-CD1 3.3Å
194N98.5Very high98.5Very high135 Ų13558.9 Ų58.972%0.72230%0.298SS*.THydrogen-bonded Turntrans-97.71.7175.2-70-70.3000113.5K190 N191 Y192K190-N194 PolarHBondContact O-N 3.29Å; K190-N194 PolarHBondContact O-ND2 2.88Å; N191-N194 PolarHBondContact O-N 2.94Å; Y192-N194 PolarHBondContact O-N 3.25Å; Y192-N194 VanDerWaalsContact O-N 3.15Å
195S98.4Very high98.4Very high33 Ų3356.8 Ų56.823%0.23129%0.29CS..SBendtrans-87.5163.6-179.9770000112.5N191 Y192 R197 Y198N191-S195 PolarHBondContact O-N 3.13Å; N191-S195 VanDerWaalsContact O-N 3.15Å; Y192-S195 VanDerWaalsContact O-CB 3.3Å; Y192-S195 WeakPolarHBondContact O-CB 3.32Å; Y192-S195 PolarHBondContact O-N 2.96Å; Y192-S195 PolarHBondContact O-OG 2.91Å; S195-R197 PolarHBondContact O-N 3.13Å; S195-R197 WeakPolarHBondContact OG-CG 3.14Å; S195-R197 PolarHBondContact OG-N 3.05Å; S195-Y198 PolarHBondContact O-N 3Å
196N97.5Very high98.4Very high166 Ų16653.8 Ų53.889%0.88827%0.272SS*.THydrogen-bonded Turntrans-70.5-15.4175.764.6-10.2000114.2
197R96.8Very high98.4Very high121 Ų12157.6 Ų57.646%0.45730%0.3SS..THydrogen-bonded Turntrans-87.8-10.617860.2173.5-173.7-116.41.3113.3E22 Y192 S195 I199E22-R197 IonicContact OE1-CZ 3.27Å; E22-R197 IonicContact OE1-NE 3.85Å; E22-R197 PolarHBondContact OE1-NE 3.37Å; E22-R197 IonicContact OE1-NH2 2.7Å; E22-R197 PolarHBondContact OE1-NH2 3.2Å; E22-R197 IonicContact OE2-CZ 3.7Å; E22-R197 IonicContact OE2-NE 2.63Å; E22-R197 IonicContact OE2-NH2 3.1Å; E22-R197 PolarHBondContact OE2-NH2 3.33Å; Y192-R197 HydrophobicContact CD2-CG 4.04Å; Y192-R197 HydrophobicContact CE2-CG 3.98Å; S195-R197 PolarHBondContact O-N 3.13Å; S195-R197 WeakPolarHBondContact OG-CG 3.14Å; S195-R197 PolarHBondContact OG-N 3.05Å; R197-I199 PolarHBondContact O-N 3.37Å
198Y98.6Very high98.4Very high43 Ų4353.8 Ų53.817%0.16928%0.276CS..  trans-69.5116.1176.2172.7-128.9000111.5K11 Y192 L193 S195 K200K11-Y198 WeakPolarHBondContact CE-OH 3.3Å; K11-Y198 PolarHBondContact NZ-OH 3.13Å; Y192-Y198 AromaticContact CE1-CD2 3.92Å; Y192-Y198 HydrophobicContact CE1-CD2 3.92Å; Y192-Y198 WeakPolarHBondContact O-CB 3.22Å; L193-Y198 HydrophobicContact CD2-CD1 4.27Å; L193-Y198 HydrophobicContact CD2-CD2 3.85Å; L193-Y198 HydrophobicContact CD2-CE1 4Å; L193-Y198 HydrophobicContact CD2-CE2 3.59Å; L193-Y198 HydrophobicContact CD2-CG 4.2Å; L193-Y198 VanDerWaalsContact O-CD1 3.26Å; L193-Y198 WeakPolarHBondContact O-CD1 3.3Å; S195-Y198 PolarHBondContact O-N 3Å; Y198-K200 HydrophobicContact CD1-CB 4.19Å; Y198-K200 HydrophobicContact CE1-CB 3.67Å; Y198-K200 HydrophobicContact CE1-CD 4.41Å; Y198-K200 HydrophobicContact CE1-CG 3.93Å; Y198-K200 PolarHBondContact O-N 3.3Å
199I98.6Very high98.4Very high14 Ų1455.4 Ų55.47%0.07229%0.286CS..  trans-85.499.2172.3-62.9161.4000108.4K9 K11 L32 R197K9-I199 HydrophobicContact CG-CD1 3.84Å; K9-I199 HydrophobicContact CG-CG1 4.28Å; K11-I199 VanDerWaalsContact CE-O 3.24Å; K11-I199 WeakPolarHBondContact CE-O 2.96Å; K11-I199 VanDerWaalsContact CG-O 3.22Å; K11-I199 WeakPolarHBondContact CG-O 3.42Å; L32-I199 HydrophobicContact CD1-CD1 4.23Å; L32-I199 HydrophobicContact CD2-CD1 4.02Å; R197-I199 PolarHBondContact O-N 3.37Å
200K97.9Very high98.4Very high120 Ų12056.3 Ų56.352%0.52229%0.29SS..  trans-75.1-32.7178.1-171.6173.9-179.3177.30113.1K11 Y198K11-K200 VanDerWaalsContact CE-O 3.23Å; K11-K200 WeakPolarHBondContact CE-O 3.25Å; K11-K200 PolarHBondContact NZ-O 3.48Å; Y198-K200 HydrophobicContact CD1-CB 4.19Å; Y198-K200 HydrophobicContact CE1-CB 3.67Å; Y198-K200 HydrophobicContact CE1-CD 4.41Å; Y198-K200 HydrophobicContact CE1-CG 3.93Å; Y198-K200 PolarHBondContact O-N 3.3Å
201W98.7Very high98.3Very high30 Ų3051.5 Ų51.511%0.11427%0.27CS..SBendtrans-151.2149.3-174.7-166.7-91.2000110.1Y164 L203 G212 G213 A215 P216Y164-W201 HydrophobicContact CD1-CH2 4.47Å; Y164-W201 AromaticContact CD1-CZ3 3.72Å; Y164-W201 HydrophobicContact CD1-CZ3 3.72Å; Y164-W201 HydrophobicContact CE1-CE3 4.24Å; Y164-W201 AromaticContact CE1-CZ3 3.74Å; Y164-W201 HydrophobicContact CE1-CZ3 3.74Å; Y164-W201 HydrophobicContact CG-CZ3 4.2Å; W201-L203 HydrophobicContact CE3-CD1 4.48Å; W201-L203 HydrophobicContact CE3-CD2 3.88Å; W201-L203 HydrophobicContact CE3-CG 3.78Å; W201-L203 HydrophobicContact CH2-CD1 4.27Å; W201-L203 HydrophobicContact CH2-CG 4.17Å; W201-L203 HydrophobicContact CZ3-CD1 3.76Å; W201-L203 HydrophobicContact CZ3-CD2 3.99Å; W201-L203 HydrophobicContact CZ3-CG 3.52Å; W201-G212 WeakPolarHBondContact CZ2-O 3.2Å; W201-G212 PolarHBondContact NE1-O 2.92Å; W201-G213 PolarHBondContact NE1-O 2.8Å; W201-G213 VanDerWaalsContact NE1-O 3.17Å; W201-A215 VanDerWaalsContact CD1-C 3.45Å; W201-A215 PolarHBondContact NE1-O 3.38Å; W201-P216 HydrophobicContact CB-CG 4.23Å; W201-P216 HydrophobicContact CD2-CB 4.15Å; W201-P216 HydrophobicContact CD2-CG 3.73Å; W201-P216 HydrophobicContact CE3-CB 3.98Å; W201-P216 HydrophobicContact CE3-CG 3.71Å; W201-P216 HydrophobicContact CG-CG 3.96Å; W201-P216 HydrophobicContact CH2-CB 4.34Å; W201-P216 HydrophobicContact CZ3-CB 4.07Å; W201-P216 HydrophobicContact CZ3-CG 4.31Å
202P98.7Very high98.3Very high2 Ų246.5 Ų46.51%0.01325%0.246CC..  cis-76.7159.5-2.231-34.6000114.5I10 K11 Q204 W206 G211I10-P202 HydrophobicContact CB-CG 3.88Å; I10-P202 HydrophobicContact CG2-CG 3.44Å; I10-P202 VanDerWaalsContact CG2-CG 3.44Å; K11-P202 PolarHBondContact N-O 2.92Å; P202-Q204 VanDerWaalsContact CB-O 3.32Å; P202-Q204 WeakPolarHBondContact CB-O 3.4Å; P202-Q204 VanDerWaalsContact CG-O 3.27Å; P202-Q204 WeakPolarHBondContact CG-O 3.42Å; P202-W206 HydrophobicContact CG-CD2 4.41Å; P202-W206 HydrophobicContact CG-CG 4.27Å; P202-G211 WeakPolarHBondContact CB-O 3.34Å
203L98.7Very high98.3Very high0 Ų047.8 Ų47.80%026%0.259CS..SBendtrans-73.4-38.2175.1-50.4-178.1000110.8K11 G12 R103 V161 Y164 W201 F210 G211K11-L203 HydrophobicContact CD-CD2 3.89Å; G12-L203 WeakPolarHBondContact CA-O 3.44Å; G12-L203 PolarHBondContact N-O 2.93Å; R103-L203 PolarHBondContact NH2-O 2.81Å; V161-L203 HydrophobicContact CG1-CD1 4.36Å; V161-L203 HydrophobicContact CG2-CB 4.37Å; V161-L203 HydrophobicContact CG2-CD1 4.49Å; Y164-L203 HydrophobicContact CD2-CD1 3.85Å; Y164-L203 HydrophobicContact CD2-CD2 4.09Å; Y164-L203 HydrophobicContact CE2-CD2 4.19Å; Y164-L203 HydrophobicContact CG-CD1 3.8Å; W201-L203 HydrophobicContact CE3-CD1 4.48Å; W201-L203 HydrophobicContact CE3-CD2 3.88Å; W201-L203 HydrophobicContact CE3-CG 3.78Å; W201-L203 HydrophobicContact CH2-CD1 4.27Å; W201-L203 HydrophobicContact CH2-CG 4.17Å; W201-L203 HydrophobicContact CZ3-CD1 3.76Å; W201-L203 HydrophobicContact CZ3-CD2 3.99Å; W201-L203 HydrophobicContact CZ3-CG 3.52Å; L203-F210 HydrophobicContact CD1-CE1 4.32Å; L203-F210 HydrophobicContact CD1-CZ 4.13Å; L203-G211 PolarHBondContact N-O 2.64Å
204Q98.6Very high98.2Very high4 Ų451.5 Ų51.52%0.01928%0.279CS..SBendtrans-115.7-168.4178.7-53.2-67.225.500109.9S107 A110 Y111 P202 A208 F210 G211S107-Q204 PolarHBondContact OG-NE2 2.77Å; S107-Q204 VanDerWaalsContact OG-NE2 3.11Å; S107-Q204 PolarHBondContact OG-OE1 3.2Å; S107-Q204 VanDerWaalsContact OG-OE1 3.12Å; A110-Q204 HydrophobicContact CB-CG 3.98Å; Y111-Q204 HydrophobicContact CE2-CB 4.45Å; P202-Q204 VanDerWaalsContact CB-O 3.32Å; P202-Q204 WeakPolarHBondContact CB-O 3.4Å; P202-Q204 VanDerWaalsContact CG-O 3.27Å; P202-Q204 WeakPolarHBondContact CG-O 3.42Å; Q204-A208 HydrophobicContact CB-CB 3.66Å; Q204-A208 HydrophobicContact CG-CB 4.31Å; Q204-F210 WeakPolarHBondContact CG-O 3.17Å; Q204-G211 PolarHBondContact N-O 3.02Å
205G98.3Very high98.1Very high11 Ų1148.2 Ų48.211%0.11327%0.271CS..  trans-66.4151.8168.700000111.3Y111 S207 A208Y111-G205 PolarHBondContact OH-N 3.45Å; G205-S207 PolarHBondContact O-N 3.38Å; G205-A208 VanDerWaalsContact O-CB 3.3Å; G205-A208 WeakPolarHBondContact O-CB 3.45Å; G205-A208 PolarHBondContact O-N 3.18Å
206W98.6Very high98Very high39 Ų3949.2 Ų49.215%0.14828%0.276CS..THydrogen-bonded Turntrans-55.2-25.5-176.1-63-89.2000114.9W8 K9 I10 R35 P202 A208 G213 D214W8-W206 HydrophobicContact CB-CH2 4.14Å; W8-W206 HydrophobicContact CB-CZ3 4.05Å; W8-W206 HydrophobicContact CD2-CZ3 4.42Å; W8-W206 HydrophobicContact CE3-CZ3 4.12Å; W8-W206 HydrophobicContact CG-CZ3 4.41Å; K9-W206 HydrophobicContact CB-CH2 4.23Å; K9-W206 HydrophobicContact CB-CZ2 4.13Å; K9-W206 WeakPolarHBondContact O-CZ2 3.28Å; I10-W206 HydrophobicContact CG2-CD2 4.09Å; I10-W206 HydrophobicContact CG2-CE3 4.02Å; I10-W206 HydrophobicContact CG2-CH2 3.62Å; I10-W206 HydrophobicContact CG2-CZ2 3.67Å; I10-W206 HydrophobicContact CG2-CZ3 3.8Å; R35-W206 HydrophobicContact CB-CD2 3.69Å; R35-W206 HydrophobicContact CB-CE3 3.99Å; R35-W206 HydrophobicContact CB-CG 4.06Å; R35-W206 HydrophobicContact CB-CH2 4.39Å; R35-W206 HydrophobicContact CB-CZ2 4.13Å; R35-W206 HydrophobicContact CB-CZ3 4.33Å; R35-W206 HydrophobicContact CG-CB 4.04Å; R35-W206 HydrophobicContact CG-CD2 3.84Å; R35-W206 HydrophobicContact CG-CE3 4.14Å; R35-W206 HydrophobicContact CG-CG 3.78Å; P202-W206 HydrophobicContact CG-CD2 4.41Å; P202-W206 HydrophobicContact CG-CG 4.27Å; W206-A208 VanDerWaalsContact C-N 3.34Å; W206-G213 PolarHBondContact O-N 3.13Å; W206-D214 VanDerWaalsContact CD1-OD1 3.27Å
207S97.7Very high97.7Very high106 Ų10646.3 Ų46.374%0.74127%0.266SS*.THydrogen-bonded Turntrans-83.2-3.2179.157.90000114.8G205G205-S207 PolarHBondContact O-N 3.38Å
208A98.5Very high96.8Very high9 Ų953.9 Ų53.97%0.07430%0.302CS..  trans-67.8141.8178.900000111.6A110 Y111 Q204 G205 W206 F210A110-A208 CarbonylContact O-C 3.57Å; Y111-A208 HydrophobicContact CD1-CB 3.69Å; Y111-A208 HydrophobicContact CE1-CB 3.6Å; Y111-A208 HydrophobicContact CG-CB 4.2Å; Q204-A208 HydrophobicContact CB-CB 3.66Å; Q204-A208 HydrophobicContact CG-CB 4.31Å; G205-A208 VanDerWaalsContact O-CB 3.3Å; G205-A208 WeakPolarHBondContact O-CB 3.45Å; G205-A208 PolarHBondContact O-N 3.18Å; W206-A208 VanDerWaalsContact C-N 3.34Å; A208-F210 VanDerWaalsContact CB-O 3.3Å; A208-F210 WeakPolarHBondContact CB-O 3.47Å
209T98.2Very high96.8Very high77 Ų7754.4 Ų54.447%0.47231%0.309SS..SBendtrans-63.4-42.8170.1-470000110.7A110 N112 F115A110-T209 WeakPolarHBondContact O-CA 3.45Å; A110-T209 WeakPolarHBondContact O-CB 3.25Å; A110-T209 PolarHBondContact O-N 3.25Å; N112-T209 WeakPolarHBondContact O-CB 3.45Å; N112-T209 PolarHBondContact O-OG1 3.29Å; F115-T209 HydrophobicContact CB-CG2 3.76Å; F115-T209 HydrophobicContact CD1-CG2 4.39Å; F115-T209 HydrophobicContact CG-CG2 4.35Å
210F98.5Very high96.7Very high20 Ų2056.5 Ų56.59%0.08832%0.322CS..SBendtrans-108.7133.1175.1172-102.8000111.6V106 A110 F115 V161 M165 L203 Q204 A208 G212V106-F210 HydrophobicContact CG1-CD1 3.84Å; V106-F210 HydrophobicContact CG1-CE1 3.66Å; A110-F210 HydrophobicContact CB-CB 4.16Å; A110-F210 HydrophobicContact CB-CD1 4.22Å; A110-F210 PolarHBondContact O-N 2.79Å; F115-F210 HydrophobicContact CD1-CB 3.94Å; F115-F210 HydrophobicContact CD2-CB 3.73Å; F115-F210 HydrophobicContact CE1-CB 3.61Å; F115-F210 AromaticContact CE1-CD2 3.92Å; F115-F210 HydrophobicContact CE1-CD2 3.92Å; F115-F210 HydrophobicContact CE1-CG 4.01Å; F115-F210 HydrophobicContact CE2-CB 3.38Å; F115-F210 HydrophobicContact CE2-CD1 4.2Å; F115-F210 HydrophobicContact CE2-CD2 4.29Å; F115-F210 AromaticContact CE2-CG 3.69Å; F115-F210 HydrophobicContact CE2-CG 3.69Å; F115-F210 HydrophobicContact CG-CB 4Å; F115-F210 HydrophobicContact CZ-CB 3.32Å; F115-F210 HydrophobicContact CZ-CD1 4.21Å; F115-F210 AromaticContact CZ-CD2 3.52Å; F115-F210 HydrophobicContact CZ-CD2 3.52Å; F115-F210 HydrophobicContact CZ-CE2 4.43Å; F115-F210 AromaticContact CZ-CG 3.39Å; F115-F210 HydrophobicContact CZ-CG 3.39Å; V161-F210 HydrophobicContact CG1-CE1 4.16Å; M165-F210 HydrophobicContact CB-CE1 4.3Å; M165-F210 HydrophobicContact CB-CE2 3.83Å; M165-F210 HydrophobicContact CB-CZ 3.59Å; M165-F210 HydrophobicContact CE-CD1 3.79Å; M165-F210 HydrophobicContact CE-CE1 3.63Å; M165-F210 HydrophobicContact CE-CG 4.32Å; M165-F210 HydrophobicContact CE-CZ 4.04Å; M165-F210 HydrophobicContact CG-CE2 4.33Å; M165-F210 HydrophobicContact CG-CZ 4.36Å; L203-F210 HydrophobicContact CD1-CE1 4.32Å; L203-F210 HydrophobicContact CD1-CZ 4.13Å; Q204-F210 WeakPolarHBondContact CG-O 3.17Å; A208-F210 VanDerWaalsContact CB-O 3.3Å; A208-F210 WeakPolarHBondContact CB-O 3.47Å; F210-G212 PolarHBondContact O-N 2.85Å
211G98.5Very high96.6Very high4 Ų453 Ų534%0.04131%0.311CS..SBendtrans69.912.9176.400000114.2P202 L203 Q204P202-G211 WeakPolarHBondContact CB-O 3.34Å; L203-G211 PolarHBondContact N-O 2.64Å; Q204-G211 PolarHBondContact N-O 3.02Å
212G98.3Very high96.5Very high11 Ų1154.4 Ų54.411%0.11332%0.322CS..  trans-99-161.2176.500000113.1W201 F210W201-G212 WeakPolarHBondContact CZ2-O 3.2Å; W201-G212 PolarHBondContact NE1-O 2.92Å; F210-G212 PolarHBondContact O-N 2.85Å
213G98Very high96.3Very high26 Ų2657.6 Ų57.627%0.26834%0.341SS..SBendtrans69.3176.3-175.100000114.1W201 W206W201-G213 PolarHBondContact NE1-O 2.8Å; W201-G213 VanDerWaalsContact NE1-O 3.17Å; W206-G213 PolarHBondContact O-N 3.13Å
214D97.4Very high96.2Very high111 Ų11161.5 Ų61.559%0.59436%0.364SS*.SBendtrans-87-14.8-175.3-53.4-43.7000113R35 W206R35-D214 IonicContact CZ-OD1 2.8Å; R35-D214 IonicContact NH1-OD1 3.91Å; R35-D214 PolarHBondContact NH1-OD1 3.03Å; R35-D214 IonicContact NH1-OD2 2.66Å; R35-D214 PolarHBondContact NH1-OD2 3.03Å; W206-D214 VanDerWaalsContact CD1-OD1 3.27Å
215A96.2Very high96Very high66 Ų6665.6 Ų65.655%0.54539%0.389SS..SBendtrans-143.8154.3178.400000111W201W201-A215 VanDerWaalsContact CD1-C 3.45Å; W201-A215 PolarHBondContact NE1-O 3.38Å
216P95.3Very high95.8Very high54 Ų5469.8 Ų69.835%0.35141%0.41SS..  trans-56.6148172.2-20.130.3000111.6Y164 W201Y164-P216 HydrophobicContact CE1-CB 4.31Å; W201-P216 HydrophobicContact CB-CG 4.23Å; W201-P216 HydrophobicContact CD2-CB 4.15Å; W201-P216 HydrophobicContact CD2-CG 3.73Å; W201-P216 HydrophobicContact CE3-CB 3.98Å; W201-P216 HydrophobicContact CE3-CG 3.71Å; W201-P216 HydrophobicContact CG-CG 3.96Å; W201-P216 HydrophobicContact CH2-CB 4.34Å; W201-P216 HydrophobicContact CZ3-CB 4.07Å; W201-P216 HydrophobicContact CZ3-CG 4.31Å
217P90.7Very high95.6Very high105 Ų10572.3 Ų72.368%0.68243%0.432SS*.  trans-59.1146.417026.9-33000110.1
218K79.8Confident95.4Very high279 Ų27969.3 Ų69.3100%1.21340%0.404SS*.  trans-75.80177.3-71.3-174.6178.8-179.70111.8

Retrieved 218 of 218 residues in 296.5 ms (Link to these results)

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