A0A3B3TL13_9TELE Loading...

glutathione transferase

Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles.

AlphaFold DB , UniProt , Accession A0A3B3TL13, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 220 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
1M76.2Confident96Very high191 Ų19138 Ų3894%0.94119%0.19SC*.  01500-73.6178.5-86.400108.1
2T94.4Very high96.1Very high44 Ų4435.3 Ų35.327%0.2718%0.178SC..  trans-76130.6174.3-56.60000108.5K27 E29T2-K27 HydrophobicContact CG2-CG 4.23Å; T2-K27 VanDerWaalsContact OG1-CE 3.29Å; T2-K27 WeakPolarHBondContact OG1-CE 3.29Å; T2-E29 HydrophobicContact CG2-CB 4.24Å; T2-E29 HydrophobicContact CG2-CG 3.83Å
3M98.3Very high96.3Very high14 Ų1437.4 Ų37.47%0.06919%0.186CC..EExtended strand (participates in β ladder)trans-74.6151.9174.2-66.6-177.1-76.500110.6L21 A26 K27 Y28 E29 L63 I64 D65 L80M3-L21 HydrophobicContact CE-CD2 3.82Å; M3-A26 HydrophobicContact CE-CB 3.5Å; M3-A26 VanDerWaalsContact CE-CB 3.5Å; M3-K27 PolarHBondContact N-O 3.21Å; M3-Y28 CarbonylContact O-C 3.52Å; M3-Y28 WeakPolarHBondContact O-CA 3.42Å; M3-Y28 WeakPolarHBondContact O-CB 3.39Å; M3-E29 PolarHBondContact O-N 2.89Å; M3-L63 HydrophobicContact CB-CD1 4.28Å; M3-L63 HydrophobicContact SD-CD2 4.27Å; M3-I64 CarbonylContact C-O 3.55Å; M3-I64 WeakPolarHBondContact CA-O 3.08Å; M3-D65 HydrophobicContact CG-CB 3.71Å; M3-D65 HydrophobicContact SD-CB 4.08Å; M3-L80 HydrophobicContact CE-CD2 4.39Å; M3-L80 HydrophobicContact SD-CD2 4.09Å
4I98.6Very high96.4Very high61 Ų6134.7 Ų34.731%0.31317%0.173SC..EExtended strand (participates in β ladder)trans-115.1113172.4-56.9172.1000108.1E29 K31 L63 I64I4-E29 WeakPolarHBondContact CA-O 3.44Å; I4-K31 HydrophobicContact CG2-CB 4.31Å; I4-L63 CarbonylContact O-C 3.43Å; I4-L63 VanDerWaalsContact O-CA 3.31Å; I4-L63 WeakPolarHBondContact O-CA 3.42Å; I4-I64 HydrophobicContact CB-CB 4.34Å; I4-I64 PolarHBondContact N-O 3.2Å; I4-I64 PolarHBondContact O-N 2.99Å
5L98.9Very high96.6Very high0 Ų032.6 Ų32.60%016%0.163CC..EExtended strand (participates in β ladder)trans-89.7134.5164.1175.862.7000107.9I17 R18 L21 Y28 E29 E30 K31 P61 L63L5-I17 HydrophobicContact CD1-CD1 4.41Å; L5-I17 HydrophobicContact CD1-CG2 3.86Å; L5-I17 HydrophobicContact CD2-CB 4.45Å; L5-I17 HydrophobicContact CD2-CG2 3.91Å; L5-R18 HydrophobicContact CD2-CG 3.82Å; L5-L21 HydrophobicContact CB-CD1 4.26Å; L5-L21 HydrophobicContact CD2-CD1 3.87Å; L5-Y28 HydrophobicContact CB-CD2 4.24Å; L5-E29 PolarHBondContact N-O 3.16Å; L5-E30 CarbonylContact O-C 3.53Å; L5-E30 VanDerWaalsContact O-CA 3.27Å; L5-E30 WeakPolarHBondContact O-CA 3.46Å; L5-K31 PolarHBondContact O-N 3.42Å; L5-P61 HydrophobicContact CD1-CB 4.34Å; L5-L63 HydrophobicContact CB-CD1 4.14Å; L5-L63 HydrophobicContact CD1-CD1 4.48Å
6A98.8Very high96.7Very high0 Ų030.6 Ų30.60%015%0.153CC..EExtended strand (participates in β ladder)trans-130.3137172.400000112.4K31 Y33 L60 P61 Y62A6-K31 VanDerWaalsContact CA-O 3.23Å; A6-K31 WeakPolarHBondContact CA-O 3.42Å; A6-K31 HydrophobicContact CB-CB 3.91Å; A6-K31 HydrophobicContact CB-CG 4.49Å; A6-Y33 HydrophobicContact CB-CE2 4.05Å; A6-L60 HydrophobicContact CB-CD2 4.4Å; A6-P61 VanDerWaalsContact O-CA 3.28Å; A6-P61 WeakPolarHBondContact O-CA 3.27Å; A6-Y62 HydrophobicContact CB-CD1 3.89Å; A6-Y62 HydrophobicContact CB-CD2 3.79Å; A6-Y62 HydrophobicContact CB-CE1 3.39Å; A6-Y62 HydrophobicContact CB-CE2 3.28Å; A6-Y62 HydrophobicContact CB-CG 4.07Å; A6-Y62 WeakPolarHBondContact CB-OH 3.36Å; A6-Y62 PolarHBondContact N-O 2.84Å; A6-Y62 PolarHBondContact O-N 3.01Å; A6-Y62 VanDerWaalsContact O-N 3.16Å
7Y98.8Very high96.8Very high19 Ų1928.8 Ų28.88%0.07514%0.144CC..EExtended strand (participates in β ladder)trans-158179.6177.9-160.9-120.3000111.2V10 F13 A14 K31 F32 Y33 L60 P61Y7-V10 HydrophobicContact CD1-CG2 4.32Å; Y7-V10 HydrophobicContact CE1-CG2 3.83Å; Y7-F13 HydrophobicContact CE2-CB 4.31Å; Y7-F13 WeakPolarHBondContact OH-CD2 3.49Å; Y7-F13 PolarHBondContact OH-N 3.41Å; Y7-A14 HydrophobicContact CD1-CB 3.55Å; Y7-A14 HydrophobicContact CD2-CB 4.41Å; Y7-A14 HydrophobicContact CE1-CB 4.26Å; Y7-A14 HydrophobicContact CG-CB 3.63Å; Y7-K31 PolarHBondContact N-O 3.34Å; Y7-K31 VanDerWaalsContact N-O 3.12Å; Y7-F32 WeakPolarHBondContact O-CA 3.35Å; Y7-Y33 PolarHBondContact O-N 3.21Å; Y7-L60 HydrophobicContact CD2-CB 3.79Å; Y7-L60 HydrophobicContact CE2-CB 4Å; Y7-P61 HydrophobicContact CD2-CB 3.61Å; Y7-P61 HydrophobicContact CD2-CG 4.2Å; Y7-P61 HydrophobicContact CE2-CB 4.27Å; Y7-P61 HydrophobicContact CE2-CG 4.38Å; Y7-P61 HydrophobicContact CG-CB 4.27Å
8W98.4Very high96.9Very high35 Ų3527.2 Ų27.213%0.13314%0.136CC..EExtended strand (participates in β ladder)trans-64.5153.1165.4-58.7114.1000110.8V10 Y33 V35 K43 W46 L60W8-V10 HydrophobicContact CB-CG2 3.93Å; W8-V10 PolarHBondContact O-N 2.88Å; W8-Y33 CarbonylContact C-O 3.54Å; W8-Y33 VanDerWaalsContact CA-O 3.23Å; W8-Y33 WeakPolarHBondContact CA-O 3.41Å; W8-Y33 VanDerWaalsContact CE3-CB 3.4Å; W8-Y33 VanDerWaalsContact CZ3-CB 3.46Å; W8-V35 HydrophobicContact CD2-CG2 4.28Å; W8-V35 HydrophobicContact CE3-CG2 3.78Å; W8-V35 HydrophobicContact CH2-CG2 4.35Å; W8-V35 HydrophobicContact CZ3-CG2 3.83Å; W8-K43 HydrophobicContact CH2-CB 4.02Å; W8-K43 HydrophobicContact CH2-CG 3.93Å; W8-K43 HydrophobicContact CZ3-CG 4.47Å; W8-W46 HydrophobicContact CH2-CB 3.38Å; W8-W46 AromaticContact CH2-CD1 3.81Å; W8-W46 AromaticContact CH2-CG 3.91Å; W8-W46 HydrophobicContact CH2-CG 3.91Å; W8-W46 HydrophobicContact CZ2-CB 4.09Å; W8-W46 AromaticContact CZ2-CD1 3.67Å; W8-W46 HydrophobicContact CZ2-CG 4.12Å; W8-W46 HydrophobicContact CZ3-CB 3.89Å; W8-L60 HydrophobicContact CD2-CD1 3.95Å; W8-L60 VanDerWaalsContact CE2-CD1 3.5Å; W8-L60 HydrophobicContact CG-CD1 4.39Å; W8-L60 HydrophobicContact CH2-CD1 4.3Å; W8-L60 HydrophobicContact CZ2-CD1 3.71Å
9D97.5Very high97Very high42 Ų4225.8 Ų25.823%0.22513%0.129CC..SBendtrans-70.758172.1-175.419.7000112.2F32 Y33 V34 K218D9-F32 HydrophobicContact CB-CB 4.12Å; D9-F32 HydrophobicContact CB-CD1 4.19Å; D9-F32 HydrophobicContact CB-CG 4.37Å; D9-Y33 PolarHBondContact N-O 3.08Å; D9-V34 HydrophobicContact CB-CG2 4.04Å; D9-K218 VanDerWaalsContact CG-NZ 3.27Å; D9-K218 IonicContact OD1-NZ 2.57Å; D9-K218 PolarHBondContact OD1-NZ 3.4Å; D9-K218 IonicContact OD2-NZ 3.91Å; D9-K218 PolarHBondContact OD2-NZ 2.9Å
10V97.7Very high97.1Very high9 Ų924.6 Ų24.66%0.05512%0.123CC..SBendtrans-148.2165.1178.4-510000108.4Y7 W8 R18 P206 N209Y7-V10 HydrophobicContact CD1-CG2 4.32Å; Y7-V10 HydrophobicContact CE1-CG2 3.83Å; W8-V10 HydrophobicContact CB-CG2 3.93Å; W8-V10 PolarHBondContact O-N 2.88Å; V10-R18 PolarHBondContact O-NH1 2.99Å; V10-R18 PolarHBondContact O-NH2 2.87Å; V10-P206 HydrophobicContact CB-CG 4.16Å; V10-P206 HydrophobicContact CG1-CG 3.87Å; V10-N209 HydrophobicContact CG1-CB 4.49Å
11R98.1Very high97.2Very high3 Ų323.4 Ų23.41%0.01112%0.117CC..SBendtrans-64.2-59.9174.7-168-177.9174.4166.9-4.5111.3A14 G15 R18 E161 D164 Y202 I203 P206 I207R11-A14 PolarHBondContact O-N 3.4Å; R11-G15 PolarHBondContact O-N 2.81Å; R11-R18 PolarHBondContact O-NH1 2.81Å; R11-R18 VanDerWaalsContact O-NH1 3.12Å; R11-E161 WeakPolarHBondContact CD-OE1 3.39Å; R11-E161 WeakPolarHBondContact CG-OE1 3.44Å; R11-E161 IonicContact CZ-OE1 3.94Å; R11-E161 IonicContact CZ-OE2 2.67Å; R11-E161 VanDerWaalsContact CZ-OE2 3.25Å; R11-E161 IonicContact NE-OE1 2.72Å; R11-E161 PolarHBondContact NE-OE1 3.45Å; R11-E161 IonicContact NE-OE2 3.25Å; R11-E161 PolarHBondContact NE-OE2 3.29Å; R11-E161 IonicContact NH2-OE1 2.63Å; R11-E161 IonicContact NH2-OE2 3.1Å; R11-E161 PolarHBondContact NH2-OE2 2.81Å; R11-D164 IonicContact CZ-OD2 3.21Å; R11-D164 IonicContact NH1-OD2 3.07Å; R11-D164 PolarHBondContact NH1-OD2 2.8Å; R11-D164 IonicContact NH2-OD2 3.05Å; R11-D164 PolarHBondContact NH2-OD2 2.57Å; R11-Y202 PolarHBondContact NH1-OH 3.2Å; R11-Y202 VanDerWaalsContact NH1-OH 3.12Å; R11-I203 HydrophobicContact CB-CG2 4.18Å; R11-I203 WeakPolarHBondContact CD-O 3.49Å; R11-I203 WeakPolarHBondContact CG-O 3.24Å; R11-P206 PolarHBondContact N-O 3.27Å; R11-I207 HydrophobicContact CB-CD1 4.23Å; R11-I207 VanDerWaalsContact CD-CD1 3.41Å; R11-I207 HydrophobicContact CG-CD1 4.43Å
12G97.6Very high98.2Very high5 Ų515.8 Ų15.85%0.0528%0.079CC..G310 helixtrans37.7-143.1172.500000115.7A14 G15 R108 I207G12-A14 PolarHBondContact O-N 2.95Å; G12-G15 PolarHBondContact O-N 2.86Å; G12-R108 PolarHBondContact O-NH2 3.26Å; G12-I207 VanDerWaalsContact CA-O 3.29Å; G12-I207 WeakPolarHBondContact CA-O 3.31Å; G12-I207 PolarHBondContact N-O 3.33Å
13F98Very high98.4Very high63 Ų6317.3 Ų17.328%0.2768%0.081SC..G310 helixtrans-73.7-0.4-178-74.6-86.5000114.1Y7 H16 R108Y7-F13 HydrophobicContact CE2-CB 4.31Å; Y7-F13 WeakPolarHBondContact OH-CD2 3.49Å; Y7-F13 PolarHBondContact OH-N 3.41Å; F13-H16 PolarHBondContact O-CE1 2.86Å; F13-H16 PolarHBondContact O-NE2 3.32Å; F13-R108 VanDerWaalsContact CE1-CD 3.49Å; F13-R108 HydrophobicContact CE1-CG 4.18Å; F13-R108 HydrophobicContact CZ-CG 4.33Å
14A98.6Very high98.4Very high0 Ų018 Ų180%09%0.086CC..G310 helixtrans-95.1-14.2175.300000113.2Y7 R11 G12 H16 I17 R18Y7-A14 HydrophobicContact CD1-CB 3.55Å; Y7-A14 HydrophobicContact CD2-CB 4.41Å; Y7-A14 HydrophobicContact CE1-CB 4.26Å; Y7-A14 HydrophobicContact CG-CB 3.63Å; R11-A14 PolarHBondContact O-N 3.4Å; G12-A14 PolarHBondContact O-N 2.95Å; A14-H16 PolarHBondContact O-N 3.28Å; A14-I17 WeakPolarHBondContact O-CA 3.16Å; A14-I17 WeakPolarHBondContact O-CB 3.32Å; A14-I17 PolarHBondContact O-N 3.07Å; A14-R18 WeakPolarHBondContact O-CG 3.4Å; A14-R18 PolarHBondContact O-N 3.31Å
15G98.4Very high98.4Very high3 Ų323 Ų233%0.03111%0.105CC..Hα-helixtrans-52-54-176.700000113.7R11 G12 I17 R18 L19R11-G15 PolarHBondContact O-N 2.81Å; G12-G15 PolarHBondContact O-N 2.86Å; G15-I17 VanDerWaalsContact C-N 3.29Å; G15-I17 PolarHBondContact O-N 2.89Å; G15-R18 PolarHBondContact O-N 3.06Å; G15-L19 WeakPolarHBondContact O-CG 3.42Å; G15-L19 PolarHBondContact O-N 2.83Å
16H98.6Very high98.3Very high1 Ų124.2 Ų24.21%0.00512%0.115CC..Hα-helixtrans-66.1-26.817756.753.8000113.5F13 A14 M20 M74 L77 F157 E161F13-H16 PolarHBondContact O-CE1 2.86Å; F13-H16 PolarHBondContact O-NE2 3.32Å; A14-H16 PolarHBondContact O-N 3.28Å; H16-M20 PolarHBondContact O-N 2.79Å; H16-M74 WeakPolarHBondContact NE2-CE 3.48Å; H16-L77 HydrophobicContact CB-CD1 4.42Å; H16-L77 VanDerWaalsContact ND1-CD1 3.34Å; H16-L77 WeakPolarHBondContact ND1-CD1 3.42Å; H16-F157 HydrophobicContact CB-CB 4.31Å; H16-F157 WeakPolarHBondContact CB-O 3.26Å; H16-E161 HydrophobicContact CB-CB 3.88Å; H16-E161 HydrophobicContact CB-CG 4.18Å
17I98.9Very high98.2Very high0 Ų031.5 Ų31.50%015%0.147CC..Hα-helixtrans-72.1-46.4176.3-63.6164.2000109.5L5 A14 G15 L19 M20 L21 P61 I76 L77 L80L5-I17 HydrophobicContact CD1-CD1 4.41Å; L5-I17 HydrophobicContact CD1-CG2 3.86Å; L5-I17 HydrophobicContact CD2-CB 4.45Å; L5-I17 HydrophobicContact CD2-CG2 3.91Å; A14-I17 WeakPolarHBondContact O-CA 3.16Å; A14-I17 WeakPolarHBondContact O-CB 3.32Å; A14-I17 PolarHBondContact O-N 3.07Å; G15-I17 VanDerWaalsContact C-N 3.29Å; G15-I17 PolarHBondContact O-N 2.89Å; I17-L19 VanDerWaalsContact C-N 3.34Å; I17-L19 PolarHBondContact O-N 3.18Å; I17-M20 PolarHBondContact O-N 2.76Å; I17-M20 VanDerWaalsContact O-N 3.13Å; I17-L21 HydrophobicContact CG2-CD1 3.88Å; I17-L21 HydrophobicContact CG2-CG 4.3Å; I17-L21 WeakPolarHBondContact O-CG 3.46Å; I17-L21 PolarHBondContact O-N 3.26Å; I17-P61 HydrophobicContact CD1-CB 4.12Å; I17-P61 HydrophobicContact CD1-CG 3.71Å; I17-I76 HydrophobicContact CD1-CB 4.03Å; I17-I76 HydrophobicContact CD1-CD1 4.04Å; I17-I76 HydrophobicContact CD1-CG2 3.82Å; I17-I76 HydrophobicContact CG1-CG2 4.04Å; I17-I76 HydrophobicContact CG2-CG2 3.84Å; I17-L77 HydrophobicContact CG1-CD2 4.1Å; I17-L77 HydrophobicContact CG1-CG 4.15Å; I17-L80 HydrophobicContact CG2-CD1 4.01Å
18R98.8Very high98.2Very high0 Ų032.3 Ų32.30%015%0.15CC..Hα-helixtrans-58.2-47.3176.6-66.9172.7-172.1132.92.1110.8L5 V10 R11 A14 G15 M20 L21 E22 E30 Y196L5-R18 HydrophobicContact CD2-CG 3.82Å; V10-R18 PolarHBondContact O-NH1 2.99Å; V10-R18 PolarHBondContact O-NH2 2.87Å; R11-R18 PolarHBondContact O-NH1 2.81Å; R11-R18 VanDerWaalsContact O-NH1 3.12Å; A14-R18 WeakPolarHBondContact O-CG 3.4Å; A14-R18 PolarHBondContact O-N 3.31Å; G15-R18 PolarHBondContact O-N 3.06Å; R18-M20 VanDerWaalsContact C-N 3.26Å; R18-M20 PolarHBondContact O-N 3.31Å; R18-L21 PolarHBondContact O-N 3.12Å; R18-E22 WeakPolarHBondContact O-CB 3.49Å; R18-E22 VanDerWaalsContact O-CG 3.27Å; R18-E22 WeakPolarHBondContact O-CG 3.42Å; R18-E22 PolarHBondContact O-N 2.77Å; R18-E30 IonicContact CZ-OE1 2.65Å; R18-E30 VanDerWaalsContact NE-CD 3.33Å; R18-E30 IonicContact NE-OE1 2.7Å; R18-E30 PolarHBondContact NE-OE1 3.33Å; R18-E30 IonicContact NE-OE2 3.44Å; R18-E30 PolarHBondContact NE-OE2 3.47Å; R18-E30 VanDerWaalsContact NE-OE2 3.15Å; R18-E30 IonicContact NH2-OE1 3.14Å; R18-E30 PolarHBondContact NH2-OE1 2.71Å; R18-Y196 HydrophobicContact CB-CE1 4.34Å; R18-Y196 WeakPolarHBondContact CD-OH 3.32Å
19L98.8Very high98.2Very high1 Ų136.5 Ų36.51%0.00517%0.171CC..Hα-helixtrans-54.9-42.5175.2-72.2164.6000112.1G15 I17 Y23 F157 Y160 F187 V193 Y196 L197G15-L19 WeakPolarHBondContact O-CG 3.42Å; G15-L19 PolarHBondContact O-N 2.83Å; I17-L19 VanDerWaalsContact C-N 3.34Å; I17-L19 PolarHBondContact O-N 3.18Å; L19-Y23 VanDerWaalsContact O-CB 3.3Å; L19-Y23 WeakPolarHBondContact O-CB 3.35Å; L19-Y23 PolarHBondContact O-N 3.23Å; L19-F157 HydrophobicContact CB-CD1 3.82Å; L19-F157 HydrophobicContact CB-CE1 4.36Å; L19-Y160 HydrophobicContact CD1-CD1 3.42Å; L19-Y160 VanDerWaalsContact CD1-CD1 3.42Å; L19-Y160 HydrophobicContact CD1-CE1 3.66Å; L19-Y160 HydrophobicContact CD2-CE1 4.24Å; L19-F187 HydrophobicContact CD1-CE1 4.35Å; L19-F187 HydrophobicContact CD2-CE1 4.38Å; L19-V193 HydrophobicContact CD2-CG1 3.89Å; L19-Y196 HydrophobicContact CD2-CD1 3.81Å; L19-Y196 HydrophobicContact CD2-CE1 3.99Å; L19-Y196 HydrophobicContact CG-CE1 4.33Å; L19-L197 HydrophobicContact CD2-CD2 4.28Å
20M98.7Very high98.2Very high0 Ų036.8 Ų36.80%017%0.171CC..Hα-helixtrans-71.1-40.5179.6-167.3177.8-16700113.2H16 I17 R18 E22 Y23 T24 L77 L80 A81 L86 F157H16-M20 PolarHBondContact O-N 2.79Å; I17-M20 PolarHBondContact O-N 2.76Å; I17-M20 VanDerWaalsContact O-N 3.13Å; R18-M20 VanDerWaalsContact C-N 3.26Å; R18-M20 PolarHBondContact O-N 3.31Å; M20-E22 VanDerWaalsContact C-N 3.33Å; M20-Y23 PolarHBondContact O-N 3.35Å; M20-T24 WeakPolarHBondContact O-CB 3.4Å; M20-T24 WeakPolarHBondContact O-CG2 3.25Å; M20-T24 PolarHBondContact O-N 3.35Å; M20-T24 PolarHBondContact O-OG1 3.48Å; M20-L77 HydrophobicContact CB-CD2 4.08Å; M20-L77 HydrophobicContact CG-CD2 4.49Å; M20-L77 HydrophobicContact SD-CD2 3.56Å; M20-L77 VanDerWaalsContact SD-CD2 3.56Å; M20-L80 HydrophobicContact CE-CB 4.07Å; M20-L80 HydrophobicContact CG-CB 4.5Å; M20-L80 HydrophobicContact SD-CB 3.71Å; M20-L80 HydrophobicContact SD-CD1 4.38Å; M20-A81 HydrophobicContact CE-CB 3.72Å; M20-A81 VanDerWaalsContact CE-N 3.35Å; M20-L86 HydrophobicContact CE-CB 4.11Å; M20-L86 HydrophobicContact CE-CD1 3.47Å; M20-L86 VanDerWaalsContact CE-CD1 3.47Å; M20-L86 HydrophobicContact CE-CG 4.41Å; M20-F157 VanDerWaalsContact CA-CE1 3.4Å; M20-F157 HydrophobicContact CB-CD1 3.73Å; M20-F157 HydrophobicContact CB-CE1 3.94Å; M20-F157 HydrophobicContact CB-CG 4.2Å; M20-F157 HydrophobicContact CG-CD1 4.33Å; M20-F157 HydrophobicContact CG-CE1 4.27Å; M20-F157 HydrophobicContact CG-CE2 4.5Å; M20-F157 HydrophobicContact CG-CZ 4.34Å
21L98.8Very high98.2Very high0 Ų039.5 Ų39.50%018%0.182CC..Hα-helixtrans-61.3-43.5175.1-72.2168.1000111M3 L5 I17 R18 T24 K25 A26 Y28 L80M3-L21 HydrophobicContact CE-CD2 3.82Å; L5-L21 HydrophobicContact CB-CD1 4.26Å; L5-L21 HydrophobicContact CD2-CD1 3.87Å; I17-L21 HydrophobicContact CG2-CD1 3.88Å; I17-L21 HydrophobicContact CG2-CG 4.3Å; I17-L21 WeakPolarHBondContact O-CG 3.46Å; I17-L21 PolarHBondContact O-N 3.26Å; R18-L21 PolarHBondContact O-N 3.12Å; L21-T24 PolarHBondContact O-N 2.97Å; L21-T24 PolarHBondContact O-OG1 3.38Å; L21-K25 PolarHBondContact O-N 2.92Å; L21-K25 VanDerWaalsContact O-N 3.12Å; L21-A26 HydrophobicContact CB-CB 4.25Å; L21-A26 HydrophobicContact CD2-CB 3.65Å; L21-A26 WeakPolarHBondContact O-CB 3.34Å; L21-A26 PolarHBondContact O-N 3.47Å; L21-Y28 HydrophobicContact CB-CD1 3.89Å; L21-Y28 HydrophobicContact CB-CE1 3.78Å; L21-Y28 HydrophobicContact CB-CG 4.44Å; L21-Y28 HydrophobicContact CD1-CD1 4.18Å; L21-Y28 HydrophobicContact CD1-CD2 3.76Å; L21-Y28 HydrophobicContact CD1-CE1 4.37Å; L21-Y28 HydrophobicContact CD1-CE2 3.94Å; L21-Y28 HydrophobicContact CD1-CG 3.89Å; L21-Y28 HydrophobicContact CG-CD1 4.43Å; L21-L80 HydrophobicContact CD2-CD1 3.8Å; L21-L80 HydrophobicContact CD2-CD2 3.82Å; L21-L80 HydrophobicContact CD2-CG 4.49Å; L21-L80 HydrophobicContact CG-CD1 3.98Å
22E98.6Very high98.2Very high32 Ų3243.4 Ų43.415%0.1520%0.199CC..Hα-helixtrans-70.3-42.4178.7-64.9-71.3163.400112R18 M20 T24 K25 Y28 Y196 K201R18-E22 WeakPolarHBondContact O-CB 3.49Å; R18-E22 VanDerWaalsContact O-CG 3.27Å; R18-E22 WeakPolarHBondContact O-CG 3.42Å; R18-E22 PolarHBondContact O-N 2.77Å; M20-E22 VanDerWaalsContact C-N 3.33Å; E22-T24 VanDerWaalsContact C-N 3.32Å; E22-T24 PolarHBondContact O-N 3.44Å; E22-K25 PolarHBondContact O-N 3.37Å; E22-Y28 WeakPolarHBondContact OE1-CE1 3.33Å; E22-Y28 PolarHBondContact OE1-OH 2.69Å; E22-Y196 HydrophobicContact CB-CD2 4.45Å; E22-Y196 HydrophobicContact CB-CG 4.05Å; E22-Y196 HydrophobicContact CG-CD1 4.32Å; E22-Y196 HydrophobicContact CG-CD2 3.56Å; E22-Y196 HydrophobicContact CG-CE2 4.15Å; E22-Y196 HydrophobicContact CG-CG 3.65Å; E22-K201 IonicContact OE1-NZ 2.69Å
23Y98.6Very high98.3Very high76 Ų7643.6 Ų43.630%0.29820%0.198SC..Hα-helixtrans-57-45.6173.6172.7-101.4000112.2L19 M20 K25 L86 L152 F157 L190 V193L19-Y23 VanDerWaalsContact O-CB 3.3Å; L19-Y23 WeakPolarHBondContact O-CB 3.35Å; L19-Y23 PolarHBondContact O-N 3.23Å; M20-Y23 PolarHBondContact O-N 3.35Å; Y23-K25 PolarHBondContact O-N 2.89Å; Y23-L86 HydrophobicContact CD1-CD1 4.34Å; Y23-L86 HydrophobicContact CE1-CD1 4.14Å; Y23-L86 HydrophobicContact CE1-CD2 4.39Å; Y23-L152 HydrophobicContact CD1-CD2 4.28Å; Y23-L152 HydrophobicContact CD2-CD2 4.27Å; Y23-L152 HydrophobicContact CE1-CD2 3.72Å; Y23-L152 HydrophobicContact CE2-CD2 3.72Å; Y23-L152 VanDerWaalsContact CZ-CD2 3.41Å; Y23-F157 HydrophobicContact CD1-CE1 4.39Å; Y23-F157 HydrophobicContact CD1-CE2 4.5Å; Y23-F157 AromaticContact CD1-CZ 3.6Å; Y23-F157 HydrophobicContact CD1-CZ 3.6Å; Y23-F157 HydrophobicContact CD2-CZ 4.39Å; Y23-F157 HydrophobicContact CE1-CZ 4.32Å; Y23-F157 HydrophobicContact CG-CE1 4.1Å; Y23-F157 AromaticContact CG-CZ 3.65Å; Y23-F157 HydrophobicContact CG-CZ 3.65Å; Y23-L190 HydrophobicContact CD2-CB 4.21Å; Y23-L190 HydrophobicContact CD2-CD1 4.13Å; Y23-L190 HydrophobicContact CE2-CB 4.31Å; Y23-L190 HydrophobicContact CE2-CD1 4.07Å; Y23-L190 HydrophobicContact CE2-CD2 4.23Å; Y23-L190 HydrophobicContact CE2-CG 4.45Å; Y23-V193 HydrophobicContact CD2-CG2 4.42Å
24T98Very high98.2Very high29 Ų2944.1 Ų44.118%0.17821%0.207CC..THydrogen-bonded Turntrans-78.7-0.1179.756.90000113.2M20 L21 E22 A26 N84 L86M20-T24 WeakPolarHBondContact O-CB 3.4Å; M20-T24 WeakPolarHBondContact O-CG2 3.25Å; M20-T24 PolarHBondContact O-N 3.35Å; M20-T24 PolarHBondContact O-OG1 3.48Å; L21-T24 PolarHBondContact O-N 2.97Å; L21-T24 PolarHBondContact O-OG1 3.38Å; E22-T24 VanDerWaalsContact C-N 3.32Å; E22-T24 PolarHBondContact O-N 3.44Å; T24-A26 PolarHBondContact O-N 3.05Å; T24-N84 HydrophobicContact CG2-CB 3.88Å; T24-N84 VanDerWaalsContact CG2-CG 3.46Å; T24-L86 HydrophobicContact CG2-CD1 4.12Å
25K97.2Very high98.1Very high165 Ų16544.3 Ų44.372%0.71721%0.208SC*.THydrogen-bonded Turntrans51.436.1-175.4-55.7-179.1-177.8178.20111.9L21 E22 Y23L21-K25 PolarHBondContact O-N 2.92Å; L21-K25 VanDerWaalsContact O-N 3.12Å; E22-K25 PolarHBondContact O-N 3.37Å; Y23-K25 PolarHBondContact O-N 2.89Å
26A97.3Very high98Very high25 Ų2545.2 Ų45.221%0.20722%0.218CC..  trans-62.9141.1-179.100000111M3 L21 T24 Y28M3-A26 HydrophobicContact CE-CB 3.5Å; M3-A26 VanDerWaalsContact CE-CB 3.5Å; L21-A26 HydrophobicContact CB-CB 4.25Å; L21-A26 HydrophobicContact CD2-CB 3.65Å; L21-A26 WeakPolarHBondContact O-CB 3.34Å; L21-A26 PolarHBondContact O-N 3.47Å; T24-A26 PolarHBondContact O-N 3.05Å; A26-Y28 WeakPolarHBondContact O-CD1 3.44Å; A26-Y28 PolarHBondContact O-N 3.01Å
27K97.5Very high97.7Very high153 Ų15350.9 Ų50.967%0.66525%0.248SC*.  trans-81.9104.9169.4-169-179.9-176.3-177.70109.3T2 M3T2-K27 HydrophobicContact CG2-CG 4.23Å; T2-K27 VanDerWaalsContact OG1-CE 3.29Å; T2-K27 WeakPolarHBondContact OG1-CE 3.29Å; M3-K27 PolarHBondContact N-O 3.21Å
28Y98.4Very high97.4Very high37 Ų3754.2 Ų54.215%0.14528%0.275CS..EExtended strand (participates in β ladder)trans-139.1156.717878.6-73.5000112.3M3 L5 L21 E22 A26 E30M3-Y28 CarbonylContact O-C 3.52Å; M3-Y28 WeakPolarHBondContact O-CA 3.42Å; M3-Y28 WeakPolarHBondContact O-CB 3.39Å; L5-Y28 HydrophobicContact CB-CD2 4.24Å; L21-Y28 HydrophobicContact CB-CD1 3.89Å; L21-Y28 HydrophobicContact CB-CE1 3.78Å; L21-Y28 HydrophobicContact CB-CG 4.44Å; L21-Y28 HydrophobicContact CD1-CD1 4.18Å; L21-Y28 HydrophobicContact CD1-CD2 3.76Å; L21-Y28 HydrophobicContact CD1-CE1 4.37Å; L21-Y28 HydrophobicContact CD1-CE2 3.94Å; L21-Y28 HydrophobicContact CD1-CG 3.89Å; L21-Y28 HydrophobicContact CG-CD1 4.43Å; E22-Y28 WeakPolarHBondContact OE1-CE1 3.33Å; E22-Y28 PolarHBondContact OE1-OH 2.69Å; A26-Y28 WeakPolarHBondContact O-CD1 3.44Å; A26-Y28 PolarHBondContact O-N 3.01Å; Y28-E30 HydrophobicContact CE2-CB 4.32Å
29E98.2Very high97.1Very high123 Ų12360.3 Ų60.358%0.57532%0.315SS*.EExtended strand (participates in β ladder)trans-113.1152.5164.9-77.9166.6-152.300108.6T2 M3 I4 L5T2-E29 HydrophobicContact CG2-CB 4.24Å; T2-E29 HydrophobicContact CG2-CG 3.83Å; M3-E29 PolarHBondContact O-N 2.89Å; I4-E29 WeakPolarHBondContact CA-O 3.44Å; L5-E29 PolarHBondContact N-O 3.16Å
30E97.8Very high96.9Very high47 Ų4763.3 Ų63.322%0.2235%0.346CS..EExtended strand (participates in β ladder)trans-114.9127.5178-166.9161.4-167.200111.4L5 R18 Y28 F32L5-E30 CarbonylContact O-C 3.53Å; L5-E30 VanDerWaalsContact O-CA 3.27Å; L5-E30 WeakPolarHBondContact O-CA 3.46Å; R18-E30 IonicContact CZ-OE1 2.65Å; R18-E30 VanDerWaalsContact NE-CD 3.33Å; R18-E30 IonicContact NE-OE1 2.7Å; R18-E30 PolarHBondContact NE-OE1 3.33Å; R18-E30 IonicContact NE-OE2 3.44Å; R18-E30 PolarHBondContact NE-OE2 3.47Å; R18-E30 VanDerWaalsContact NE-OE2 3.15Å; R18-E30 IonicContact NH2-OE1 3.14Å; R18-E30 PolarHBondContact NH2-OE1 2.71Å; Y28-E30 HydrophobicContact CE2-CB 4.32Å; E30-F32 HydrophobicContact CB-CE2 4.06Å; E30-F32 HydrophobicContact CB-CZ 4.04Å; E30-F32 HydrophobicContact CG-CD1 4.25Å; E30-F32 HydrophobicContact CG-CD2 4.42Å; E30-F32 HydrophobicContact CG-CE1 3.72Å; E30-F32 HydrophobicContact CG-CE2 3.9Å; E30-F32 HydrophobicContact CG-CZ 3.52Å; E30-F32 WeakPolarHBondContact OE1-CE1 3.18Å; E30-F32 VanDerWaalsContact OE2-CZ 3.25Å; E30-F32 WeakPolarHBondContact OE2-CZ 3.4Å
31K98.3Very high96.8Very high67 Ų6766.1 Ų66.129%0.29136%0.359SS..EExtended strand (participates in β ladder)trans-100.6116.9172.1-179.5172.5-172.9170.40109.6I4 L5 A6 Y7 Y33 E49I4-K31 HydrophobicContact CG2-CB 4.31Å; L5-K31 PolarHBondContact O-N 3.42Å; A6-K31 VanDerWaalsContact CA-O 3.23Å; A6-K31 WeakPolarHBondContact CA-O 3.42Å; A6-K31 HydrophobicContact CB-CB 3.91Å; A6-K31 HydrophobicContact CB-CG 4.49Å; Y7-K31 PolarHBondContact N-O 3.34Å; Y7-K31 VanDerWaalsContact N-O 3.12Å; K31-Y33 HydrophobicContact CD-CE2 4.41Å; K31-Y33 WeakPolarHBondContact CE-OH 3.23Å; K31-Y33 HydrophobicContact CG-CE2 4.44Å; K31-E49 WeakPolarHBondContact CE-OE2 3.4Å; K31-E49 IonicContact NZ-OE1 2.76Å; K31-E49 PolarHBondContact NZ-OE1 3.13Å; K31-E49 IonicContact NZ-OE2 3.02Å; K31-E49 PolarHBondContact NZ-OE2 2.97Å
32F98.2Very high96.7Very high85 Ų8570.3 Ų70.337%0.37338%0.381SS..EExtended strand (participates in β ladder)trans-96.9131.8176.9-64.8-70000111.9Y7 D9 E30 I203Y7-F32 WeakPolarHBondContact O-CA 3.35Å; D9-F32 HydrophobicContact CB-CB 4.12Å; D9-F32 HydrophobicContact CB-CD1 4.19Å; D9-F32 HydrophobicContact CB-CG 4.37Å; E30-F32 HydrophobicContact CB-CE2 4.06Å; E30-F32 HydrophobicContact CB-CZ 4.04Å; E30-F32 HydrophobicContact CG-CD1 4.25Å; E30-F32 HydrophobicContact CG-CD2 4.42Å; E30-F32 HydrophobicContact CG-CE1 3.72Å; E30-F32 HydrophobicContact CG-CE2 3.9Å; E30-F32 HydrophobicContact CG-CZ 3.52Å; E30-F32 WeakPolarHBondContact OE1-CE1 3.18Å; E30-F32 VanDerWaalsContact OE2-CZ 3.25Å; E30-F32 WeakPolarHBondContact OE2-CZ 3.4Å; F32-I203 HydrophobicContact CE1-CD1 3.66Å; F32-I203 HydrophobicContact CZ-CD1 3.88Å
33Y98.3Very high96.7Very high8 Ų871.9 Ų71.93%0.03139%0.387CS..EExtended strand (participates in β ladder)trans-99140.3162.4-61.4-77.2000109A6 Y7 W8 D9 K31 G45 W46 E49 L60 Y62A6-Y33 HydrophobicContact CB-CE2 4.05Å; Y7-Y33 PolarHBondContact O-N 3.21Å; W8-Y33 CarbonylContact C-O 3.54Å; W8-Y33 VanDerWaalsContact CA-O 3.23Å; W8-Y33 WeakPolarHBondContact CA-O 3.41Å; W8-Y33 VanDerWaalsContact CE3-CB 3.4Å; W8-Y33 VanDerWaalsContact CZ3-CB 3.46Å; D9-Y33 PolarHBondContact N-O 3.08Å; K31-Y33 HydrophobicContact CD-CE2 4.41Å; K31-Y33 WeakPolarHBondContact CE-OH 3.23Å; K31-Y33 HydrophobicContact CG-CE2 4.44Å; Y33-G45 VanDerWaalsContact CD1-C 3.49Å; Y33-G45 WeakPolarHBondContact CD1-O 3.4Å; Y33-G45 WeakPolarHBondContact CE1-O 3.3Å; Y33-W46 HydrophobicContact CD1-CB 3.92Å; Y33-W46 HydrophobicContact CD2-CE3 4.31Å; Y33-W46 HydrophobicContact CE1-CB 4.37Å; Y33-W46 HydrophobicContact CE1-CE3 4.05Å; Y33-W46 AromaticContact CE2-CE3 3.73Å; Y33-W46 HydrophobicContact CE2-CE3 3.73Å; Y33-W46 HydrophobicContact CE2-CZ3 4.2Å; Y33-W46 HydrophobicContact CG-CB 3.98Å; Y33-W46 AromaticContact CZ-CE3 3.57Å; Y33-E49 WeakPolarHBondContact CE1-OE2 3.37Å; Y33-E49 PolarHBondContact OH-OE2 2.92Å; Y33-L60 HydrophobicContact CD2-CD1 3.88Å; Y33-L60 HydrophobicContact CD2-CD2 3.83Å; Y33-L60 HydrophobicContact CE2-CD1 4.47Å; Y33-L60 HydrophobicContact CE2-CD2 3.76Å; Y33-Y62 AromaticContact CE2-CE1 3.94Å; Y33-Y62 HydrophobicContact CE2-CE1 3.94Å; Y33-Y62 PolarHBondContact OH-OH 2.83Å
34V96.9Very high96.6Very high75 Ų7570.2 Ų70.246%0.45539%0.387SS..  trans-114136.7-179.2-177.50000108.7D9D9-V34 HydrophobicContact CB-CG2 4.04Å
35V96.8Very high96.6Very high3 Ų370.6 Ų70.62%0.01840%0.396CS..PPolyproline II helixtrans-87.4132.4168.8178.80000108.5W8 F41 D42 K43 N209 R210 M211W8-V35 HydrophobicContact CD2-CG2 4.28Å; W8-V35 HydrophobicContact CE3-CG2 3.78Å; W8-V35 HydrophobicContact CH2-CG2 4.35Å; W8-V35 HydrophobicContact CZ3-CG2 3.83Å; V35-F41 HydrophobicContact CG1-CB 3.85Å; V35-F41 HydrophobicContact CG1-CD1 4.25Å; V35-D42 CarbonylContact C-O 3.47Å; V35-D42 VanDerWaalsContact CA-O 3.31Å; V35-D42 WeakPolarHBondContact CA-O 3.41Å; V35-K43 HydrophobicContact CG1-CG 4.26Å; V35-K43 HydrophobicContact CG2-CG 3.92Å; V35-N209 VanDerWaalsContact CB-OD1 3.31Å; V35-N209 WeakPolarHBondContact CB-OD1 3.27Å; V35-N209 WeakPolarHBondContact CG2-ND2 3.35Å; V35-N209 WeakPolarHBondContact CG2-OD1 3.23Å; V35-R210 VanDerWaalsContact O-CD 3.32Å; V35-R210 WeakPolarHBondContact O-CD 3.42Å; V35-R210 PolarHBondContact O-NE 3.3Å; V35-R210 PolarHBondContact O-NH1 3.01Å; V35-R210 PolarHBondContact O-NH2 3.16Å; V35-M211 HydrophobicContact CG1-SD 3.8Å
36G95Very high96.6Very high23 Ų2363.1 Ų63.124%0.23736%0.364CS..PPolyproline II helixtrans-64.6173.5175.900000113.1D42G36-D42 PolarHBondContact N-O 2.65Å
37D92.9Very high96.6Very high119 Ų11967.1 Ų67.164%0.63638%0.376SS*.PPolyproline II helixtrans-73161.8-178.8-71.3-52.9000113.8G40 F41 R210D37-G40 PolarHBondContact O-N 2.84Å; D37-F41 PolarHBondContact O-N 3.41Å; D37-R210 IonicContact OD1-CZ 3.32Å; D37-R210 IonicContact OD1-NH1 2.92Å; D37-R210 PolarHBondContact OD1-NH1 3.45Å; D37-R210 IonicContact OD2-NH1 2.77Å; D37-R210 PolarHBondContact OD2-NH1 2.88Å
38A92.2Very high96.6Very high70 Ų7064.6 Ų64.658%0.57937%0.37SS*.THydrogen-bonded Turntrans-62.4151.4171.500000110.9F41A38-F41 HydrophobicContact CB-CE1 3.88Å; A38-F41 HydrophobicContact CB-CE2 4.26Å; A38-F41 HydrophobicContact CB-CZ 3.65Å
39P93.5Very high96.6Very high128 Ų12865.8 Ų65.883%0.83138%0.377SS*.THydrogen-bonded Turncis-85.5-7.1-1.134.6-35.6000113.7F41P39-F41 VanDerWaalsContact O-CD2 3.27Å; P39-F41 WeakPolarHBondContact O-CD2 3.34Å
40G94.2Very high96.5Very high64 Ų6462.1 Ų62.166%0.6636%0.359SS*.THydrogen-bonded Turntrans-76.2-31-169.900000114.6D37 D42D37-G40 PolarHBondContact O-N 2.84Å; G40-D42 VanDerWaalsContact C-N 3.26Å; G40-D42 PolarHBondContact O-N 3.03Å
41F95.8Very high96.6Very high60 Ų6067.3 Ų67.326%0.26338%0.382SS..  trans45.849.8-179.1-59.3-68.5000112.7V35 D37 A38 P39 K43 R210 M211V35-F41 HydrophobicContact CG1-CB 3.85Å; V35-F41 HydrophobicContact CG1-CD1 4.25Å; D37-F41 PolarHBondContact O-N 3.41Å; A38-F41 HydrophobicContact CB-CE1 3.88Å; A38-F41 HydrophobicContact CB-CE2 4.26Å; A38-F41 HydrophobicContact CB-CZ 3.65Å; P39-F41 VanDerWaalsContact O-CD2 3.27Å; P39-F41 WeakPolarHBondContact O-CD2 3.34Å; F41-K43 WeakPolarHBondContact O-CG 3.27Å; F41-K43 PolarHBondContact O-N 2.91Å; F41-R210 HydrophobicContact CD1-CB 4.06Å; F41-R210 HydrophobicContact CE1-CB 3.97Å; F41-R210 WeakPolarHBondContact CE1-O 3.49Å; F41-M211 HydrophobicContact CB-CG 4.21Å; F41-M211 HydrophobicContact CB-SD 4.16Å; F41-M211 HydrophobicContact CD1-CG 3.73Å; F41-M211 HydrophobicContact CD1-SD 3.94Å; F41-M211 HydrophobicContact CD2-CG 3.97Å; F41-M211 HydrophobicContact CE1-CG 3.98Å; F41-M211 HydrophobicContact CE2-CG 4.22Å; F41-M211 HydrophobicContact CG-CG 3.71Å; F41-M211 HydrophobicContact CG-SD 4.12Å; F41-M211 HydrophobicContact CZ-CG 4.21Å
42D97.3Very high96.5Very high88 Ų8872.2 Ų72.247%0.47140%0.403SS..  trans-55.9131-174.8178.338.9000111.2V35 G36 G40 S44V35-D42 CarbonylContact C-O 3.47Å; V35-D42 VanDerWaalsContact CA-O 3.31Å; V35-D42 WeakPolarHBondContact CA-O 3.41Å; G36-D42 PolarHBondContact N-O 2.65Å; G40-D42 VanDerWaalsContact C-N 3.26Å; G40-D42 PolarHBondContact O-N 3.03Å; D42-S44 WeakPolarHBondContact OD1-CB 3.45Å; D42-S44 PolarHBondContact OD1-N 2.96Å; D42-S44 PolarHBondContact OD1-OG 2.95Å; D42-S44 WeakPolarHBondContact OD2-CB 3.28Å; D42-S44 PolarHBondContact OD2-OG 2.57Å
43K97.6Very high96.5Very high65 Ų6570 Ų7028%0.28339%0.394SS..  trans-121.412.4-179.8-72.1161.1-165.5172.30111.2W8 V35 F41 G45 W46 F47W8-K43 HydrophobicContact CH2-CB 4.02Å; W8-K43 HydrophobicContact CH2-CG 3.93Å; W8-K43 HydrophobicContact CZ3-CG 4.47Å; V35-K43 HydrophobicContact CG1-CG 4.26Å; V35-K43 HydrophobicContact CG2-CG 3.92Å; F41-K43 WeakPolarHBondContact O-CG 3.27Å; F41-K43 PolarHBondContact O-N 2.91Å; K43-G45 PolarHBondContact O-N 3.5Å; K43-G45 VanDerWaalsContact O-N 3.15Å; K43-W46 PolarHBondContact O-N 3.18Å; K43-F47 HydrophobicContact CB-CD2 3.4Å; K43-F47 VanDerWaalsContact CB-CD2 3.4Å; K43-F47 HydrophobicContact CB-CE2 3.41Å; K43-F47 VanDerWaalsContact CB-CE2 3.41Å; K43-F47 HydrophobicContact CD-CE2 3.83Å; K43-F47 HydrophobicContact CG-CE2 4.2Å; K43-F47 WeakPolarHBondContact O-CD2 3.28Å; K43-F47 PolarHBondContact O-N 2.83Å
44S97.7Very high96.4Very high41 Ų4171.8 Ų71.829%0.28742%0.416SS..Hα-helixtrans-52.6-36.4-177.168.40000112.3D42 W46 F47 N48D42-S44 WeakPolarHBondContact OD1-CB 3.45Å; D42-S44 PolarHBondContact OD1-N 2.96Å; D42-S44 PolarHBondContact OD1-OG 2.95Å; D42-S44 WeakPolarHBondContact OD2-CB 3.28Å; D42-S44 PolarHBondContact OD2-OG 2.57Å; S44-W46 PolarHBondContact O-N 2.91Å; S44-W46 VanDerWaalsContact O-N 3.17Å; S44-F47 PolarHBondContact O-N 2.65Å; S44-N48 WeakPolarHBondContact O-CB 3.04Å; S44-N48 PolarHBondContact O-N 3.23Å; S44-N48 PolarHBondContact O-ND2 3.49Å
45G96.8Very high96.5Very high37 Ų3768.9 Ų68.938%0.38140%0.398SS..Hα-helixtrans-51.5-40.4176.100000113.6Y33 K43Y33-G45 VanDerWaalsContact CD1-C 3.49Å; Y33-G45 WeakPolarHBondContact CD1-O 3.4Å; Y33-G45 WeakPolarHBondContact CE1-O 3.3Å; K43-G45 PolarHBondContact O-N 3.5Å; K43-G45 VanDerWaalsContact O-N 3.15Å
46W98.1Very high96.6Very high8 Ų875.2 Ų75.23%0.0343%0.431CS..Hα-helixtrans-84.4-50.7173.6168.9-134.4000112.1W8 Y33 K43 S44 N48 E49 K50 L53 L55 L60 Y62W8-W46 HydrophobicContact CH2-CB 3.38Å; W8-W46 AromaticContact CH2-CD1 3.81Å; W8-W46 AromaticContact CH2-CG 3.91Å; W8-W46 HydrophobicContact CH2-CG 3.91Å; W8-W46 HydrophobicContact CZ2-CB 4.09Å; W8-W46 AromaticContact CZ2-CD1 3.67Å; W8-W46 HydrophobicContact CZ2-CG 4.12Å; W8-W46 HydrophobicContact CZ3-CB 3.89Å; Y33-W46 HydrophobicContact CD1-CB 3.92Å; Y33-W46 HydrophobicContact CD2-CE3 4.31Å; Y33-W46 HydrophobicContact CE1-CB 4.37Å; Y33-W46 HydrophobicContact CE1-CE3 4.05Å; Y33-W46 AromaticContact CE2-CE3 3.73Å; Y33-W46 HydrophobicContact CE2-CE3 3.73Å; Y33-W46 HydrophobicContact CE2-CZ3 4.2Å; Y33-W46 HydrophobicContact CG-CB 3.98Å; Y33-W46 AromaticContact CZ-CE3 3.57Å; K43-W46 PolarHBondContact O-N 3.18Å; S44-W46 PolarHBondContact O-N 2.91Å; S44-W46 VanDerWaalsContact O-N 3.17Å; W46-N48 PolarHBondContact O-N 3.28Å; W46-E49 PolarHBondContact O-N 2.91Å; W46-K50 HydrophobicContact CD2-CB 4.2Å; W46-K50 HydrophobicContact CE3-CB 4.33Å; W46-K50 HydrophobicContact CH2-CB 4.03Å; W46-K50 HydrophobicContact CH2-CG 3.97Å; W46-K50 HydrophobicContact CZ2-CB 3.87Å; W46-K50 HydrophobicContact CZ2-CD 4.01Å; W46-K50 HydrophobicContact CZ2-CG 3.53Å; W46-K50 HydrophobicContact CZ3-CB 4.24Å; W46-K50 PolarHBondContact O-N 3.16Å; W46-L53 HydrophobicContact CH2-CD1 4.16Å; W46-L53 HydrophobicContact CZ3-CD1 3.63Å; W46-L55 HydrophobicContact CH2-CD1 4.2Å; W46-L60 HydrophobicContact CB-CD1 4.32Å; W46-L60 HydrophobicContact CD2-CD1 3.76Å; W46-L60 HydrophobicContact CD2-CD2 4.39Å; W46-L60 HydrophobicContact CD2-CG 3.98Å; W46-L60 HydrophobicContact CE3-CD1 4.37Å; W46-L60 HydrophobicContact CE3-CD2 4.31Å; W46-L60 HydrophobicContact CE3-CG 4.39Å; W46-L60 HydrophobicContact CG-CD1 3.71Å; W46-L60 HydrophobicContact CG-CG 4.42Å; W46-L60 HydrophobicContact CH2-CD2 4.35Å; W46-L60 HydrophobicContact CH2-CG 4.37Å; W46-L60 HydrophobicContact CZ2-CD2 4.43Å; W46-L60 HydrophobicContact CZ2-CG 3.96Å; W46-L60 HydrophobicContact CZ3-CD2 4.29Å; W46-Y62 HydrophobicContact CH2-CD1 4.09Å; W46-Y62 HydrophobicContact CH2-CE1 4.03Å; W46-Y62 HydrophobicContact CZ3-CD1 4.19Å; W46-Y62 AromaticContact CZ3-CE1 3.65Å; W46-Y62 HydrophobicContact CZ3-CE1 3.65Å
47F98.1Very high96.7Very high108 Ų10881.6 Ų81.647%0.47445%0.453SS..Hα-helixtrans-65-26.6-170.8-75.3-69.5000113.5K43 S44 E49 K50K43-F47 HydrophobicContact CB-CD2 3.4Å; K43-F47 VanDerWaalsContact CB-CD2 3.4Å; K43-F47 HydrophobicContact CB-CE2 3.41Å; K43-F47 VanDerWaalsContact CB-CE2 3.41Å; K43-F47 HydrophobicContact CD-CE2 3.83Å; K43-F47 HydrophobicContact CG-CE2 4.2Å; K43-F47 WeakPolarHBondContact O-CD2 3.28Å; K43-F47 PolarHBondContact O-N 2.83Å; S44-F47 PolarHBondContact O-N 2.65Å; F47-E49 VanDerWaalsContact C-N 3.27Å; F47-E49 PolarHBondContact O-N 3.39Å; F47-K50 HydrophobicContact CD1-CD 4.11Å; F47-K50 HydrophobicContact CE1-CD 4.32Å
48N97.8Very high97Very high101 Ų10177.2 Ų77.254%0.5443%0.431SS..THydrogen-bonded Turntrans-71-20.7175.9-69.9-14.1000113.6S44 W46 K52S44-N48 WeakPolarHBondContact O-CB 3.04Å; S44-N48 PolarHBondContact O-N 3.23Å; S44-N48 PolarHBondContact O-ND2 3.49Å; W46-N48 PolarHBondContact O-N 3.28Å; N48-K52 WeakPolarHBondContact O-CD 3.32Å; N48-K52 VanDerWaalsContact O-CE 3.27Å; N48-K52 WeakPolarHBondContact O-CE 3.05Å; N48-K52 PolarHBondContact O-NZ 3.2Å
49E96.6Very high97.3Very high62 Ų6277 Ų7729%0.2942%0.42SS..THydrogen-bonded Turntrans-110.3-20.9-179.3-65.6-173.4169.700113.7K31 Y33 W46 F47 F51 K52K31-E49 WeakPolarHBondContact CE-OE2 3.4Å; K31-E49 IonicContact NZ-OE1 2.76Å; K31-E49 PolarHBondContact NZ-OE1 3.13Å; K31-E49 IonicContact NZ-OE2 3.02Å; K31-E49 PolarHBondContact NZ-OE2 2.97Å; Y33-E49 WeakPolarHBondContact CE1-OE2 3.37Å; Y33-E49 PolarHBondContact OH-OE2 2.92Å; W46-E49 PolarHBondContact O-N 2.91Å; F47-E49 VanDerWaalsContact C-N 3.27Å; F47-E49 PolarHBondContact O-N 3.39Å; E49-F51 PolarHBondContact O-N 2.9Å; E49-K52 WeakPolarHBondContact O-CB 3.36Å; E49-K52 PolarHBondContact O-N 3.13Å
50K97.6Very high97.6Very high45 Ų4571.6 Ų71.620%0.19638%0.384CS..THydrogen-bonded Turntrans-40.2-47.5-170.1177.2171.6-176.8-178.90114.5W46 F47 P58W46-K50 HydrophobicContact CD2-CB 4.2Å; W46-K50 HydrophobicContact CE3-CB 4.33Å; W46-K50 HydrophobicContact CH2-CB 4.03Å; W46-K50 HydrophobicContact CH2-CG 3.97Å; W46-K50 HydrophobicContact CZ2-CB 3.87Å; W46-K50 HydrophobicContact CZ2-CD 4.01Å; W46-K50 HydrophobicContact CZ2-CG 3.53Å; W46-K50 HydrophobicContact CZ3-CB 4.24Å; W46-K50 PolarHBondContact O-N 3.16Å; F47-K50 HydrophobicContact CD1-CD 4.11Å; F47-K50 HydrophobicContact CE1-CD 4.32Å; K50-P58 HydrophobicContact CD-CB 4.41Å; K50-P58 WeakPolarHBondContact CE-O 3.47Å; K50-P58 HydrophobicContact CG-CB 3.59Å; K50-P58 WeakPolarHBondContact O-CB 3.36Å
51F98.1Very high97.8Very high157 Ų15768.8 Ų68.869%0.68935%0.354SS*.THydrogen-bonded Turntrans-95.54.4-175.6-59.6-75.6000114.6E49 P58E49-F51 PolarHBondContact O-N 2.9Å; F51-P58 HydrophobicContact CD1-CB 4.35Å; F51-P58 HydrophobicContact CD1-CG 3.88Å; F51-P58 HydrophobicContact CE1-CB 4.36Å; F51-P58 HydrophobicContact CE1-CG 4.11Å
52K97.6Very high97.9Very high170 Ų17066 Ų6674%0.73934%0.342SS*.THydrogen-bonded Turntrans-101.4-6.2-177.1-60.4175.8-178.4160.90113.5N48 E49N48-K52 WeakPolarHBondContact O-CD 3.32Å; N48-K52 VanDerWaalsContact O-CE 3.27Å; N48-K52 WeakPolarHBondContact O-CE 3.05Å; N48-K52 PolarHBondContact O-NZ 3.2Å; E49-K52 WeakPolarHBondContact O-CB 3.36Å; E49-K52 PolarHBondContact O-N 3.13Å
53L96.9Very high98Very high37 Ų3761.9 Ų61.919%0.19432%0.32CS..SBendtrans-88.3-9.5-174.7-61.8172.9000113.3W46 L55 Y62 K69W46-L53 HydrophobicContact CH2-CD1 4.16Å; W46-L53 HydrophobicContact CZ3-CD1 3.63Å; L53-L55 HydrophobicContact CB-CD1 4.27Å; L53-L55 HydrophobicContact CB-CG 3.93Å; L53-L55 HydrophobicContact CD1-CD1 4.15Å; L53-Y62 HydrophobicContact CD1-CD1 4.29Å; L53-Y62 HydrophobicContact CD1-CE1 3.51Å; L53-Y62 HydrophobicContact CD1-CE2 4.36Å; L53-K69 PolarHBondContact O-NZ 3.01Å
54G97.7Very high98.1Very high47 Ų4760.4 Ų60.449%0.48532%0.315SS..  trans63.339.3-174.900000112.8K69G54-K69 WeakPolarHBondContact O-CD 3.34Å; G54-K69 PolarHBondContact O-NZ 3.11Å
55L98.4Very high98.1Very high13 Ų1359.3 Ų59.37%0.06831%0.306CS..  trans-83137.5169.2-55.4173000108.5W46 L53 P58 Y62 K69 T71W46-L55 HydrophobicContact CH2-CD1 4.2Å; L53-L55 HydrophobicContact CB-CD1 4.27Å; L53-L55 HydrophobicContact CB-CG 3.93Å; L53-L55 HydrophobicContact CD1-CD1 4.15Å; L55-P58 HydrophobicContact CB-CB 4.43Å; L55-P58 HydrophobicContact CB-CG 4.2Å; L55-P58 HydrophobicContact CD1-CB 4.47Å; L55-P58 WeakPolarHBondContact O-CD 3.45Å; L55-Y62 HydrophobicContact CD1-CD1 3.87Å; L55-Y62 HydrophobicContact CD1-CG 4.04Å; L55-Y62 HydrophobicContact CD2-CG 4.39Å; L55-K69 HydrophobicContact CD2-CB 3.98Å; L55-T71 HydrophobicContact CB-CG2 4.14Å; L55-T71 HydrophobicContact CD1-CG2 3.9Å; L55-T71 HydrophobicContact CD2-CG2 4.15Å; L55-T71 HydrophobicContact CG-CG2 4.27Å
56D98.4Very high98.1Very high136 Ų13658.8 Ų58.873%0.72730%0.3SS*.SBendtrans-64.9-42.8178.3-60.2-54.8000112
57F98.5Very high98Very high158 Ų15866.1 Ų66.169%0.69334%0.34SS*.SBendtrans-123.980.5175.9-55.5-69.4000110.4N59 T71F57-N59 PolarHBondContact O-N 2.97Å; F57-T71 WeakPolarHBondContact O-CG2 3.47Å; F57-T71 PolarHBondContact O-OG1 3.47Å
58P98.6Very high98Very high27 Ų2764.8 Ų64.818%0.17534%0.338CS..  trans-54.2111.5-171.5-28.535.5000114K50 F51 L55K50-P58 HydrophobicContact CD-CB 4.41Å; K50-P58 WeakPolarHBondContact CE-O 3.47Å; K50-P58 HydrophobicContact CG-CB 3.59Å; K50-P58 WeakPolarHBondContact O-CB 3.36Å; F51-P58 HydrophobicContact CD1-CB 4.35Å; F51-P58 HydrophobicContact CD1-CG 3.88Å; F51-P58 HydrophobicContact CE1-CB 4.36Å; F51-P58 HydrophobicContact CE1-CG 4.11Å; L55-P58 HydrophobicContact CB-CB 4.43Å; L55-P58 HydrophobicContact CB-CG 4.2Å; L55-P58 HydrophobicContact CD1-CB 4.47Å; L55-P58 WeakPolarHBondContact O-CD 3.45Å
59N98.7Very high98Very high64 Ų6463.9 Ų63.934%0.34233%0.329SS..  trans-155.1168.7-177.7-155.54.6000111.8F57F57-N59 PolarHBondContact O-N 2.97Å
60L98.6Very high98.1Very high16 Ų1662.3 Ų62.38%0.08432%0.324CS..SBendtrans-115.5137171.3-69.4172.9000109.7A6 Y7 W8 Y33 W46 Y62A6-L60 HydrophobicContact CB-CD2 4.4Å; Y7-L60 HydrophobicContact CD2-CB 3.79Å; Y7-L60 HydrophobicContact CE2-CB 4Å; W8-L60 HydrophobicContact CD2-CD1 3.95Å; W8-L60 VanDerWaalsContact CE2-CD1 3.5Å; W8-L60 HydrophobicContact CG-CD1 4.39Å; W8-L60 HydrophobicContact CH2-CD1 4.3Å; W8-L60 HydrophobicContact CZ2-CD1 3.71Å; Y33-L60 HydrophobicContact CD2-CD1 3.88Å; Y33-L60 HydrophobicContact CD2-CD2 3.83Å; Y33-L60 HydrophobicContact CE2-CD1 4.47Å; Y33-L60 HydrophobicContact CE2-CD2 3.76Å; W46-L60 HydrophobicContact CB-CD1 4.32Å; W46-L60 HydrophobicContact CD2-CD1 3.76Å; W46-L60 HydrophobicContact CD2-CD2 4.39Å; W46-L60 HydrophobicContact CD2-CG 3.98Å; W46-L60 HydrophobicContact CE3-CD1 4.37Å; W46-L60 HydrophobicContact CE3-CD2 4.31Å; W46-L60 HydrophobicContact CE3-CG 4.39Å; W46-L60 HydrophobicContact CG-CD1 3.71Å; W46-L60 HydrophobicContact CG-CG 4.42Å; W46-L60 HydrophobicContact CH2-CD2 4.35Å; W46-L60 HydrophobicContact CH2-CG 4.37Å; W46-L60 HydrophobicContact CZ2-CD2 4.43Å; W46-L60 HydrophobicContact CZ2-CG 3.96Å; W46-L60 HydrophobicContact CZ3-CD2 4.29Å; L60-Y62 HydrophobicContact CD2-CD1 3.6Å; L60-Y62 HydrophobicContact CD2-CE1 3.73Å
61P98.8Very high98.2Very high4 Ų460.9 Ų60.93%0.02632%0.318CS..SBendcis-72.4156.5-2.730.5-33.8000113L5 A6 Y7 I17 I76L5-P61 HydrophobicContact CD1-CB 4.34Å; A6-P61 VanDerWaalsContact O-CA 3.28Å; A6-P61 WeakPolarHBondContact O-CA 3.27Å; Y7-P61 HydrophobicContact CD2-CB 3.61Å; Y7-P61 HydrophobicContact CD2-CG 4.2Å; Y7-P61 HydrophobicContact CE2-CB 4.27Å; Y7-P61 HydrophobicContact CE2-CG 4.38Å; Y7-P61 HydrophobicContact CG-CB 4.27Å; I17-P61 HydrophobicContact CD1-CB 4.12Å; I17-P61 HydrophobicContact CD1-CG 3.71Å; P61-I76 HydrophobicContact CB-CD1 4.13Å; P61-I76 HydrophobicContact CG-CD1 4.09Å
62Y98.9Very high98.2Very high3 Ų358.5 Ų58.51%0.01231%0.31CS..EExtended strand (participates in β ladder)trans-126.4150.6164.367.9-106.9000110.9A6 Y33 W46 L53 L55 L60 I64 V70A6-Y62 HydrophobicContact CB-CD1 3.89Å; A6-Y62 HydrophobicContact CB-CD2 3.79Å; A6-Y62 HydrophobicContact CB-CE1 3.39Å; A6-Y62 HydrophobicContact CB-CE2 3.28Å; A6-Y62 HydrophobicContact CB-CG 4.07Å; A6-Y62 WeakPolarHBondContact CB-OH 3.36Å; A6-Y62 PolarHBondContact N-O 2.84Å; A6-Y62 PolarHBondContact O-N 3.01Å; A6-Y62 VanDerWaalsContact O-N 3.16Å; Y33-Y62 AromaticContact CE2-CE1 3.94Å; Y33-Y62 HydrophobicContact CE2-CE1 3.94Å; Y33-Y62 PolarHBondContact OH-OH 2.83Å; W46-Y62 HydrophobicContact CH2-CD1 4.09Å; W46-Y62 HydrophobicContact CH2-CE1 4.03Å; W46-Y62 HydrophobicContact CZ3-CD1 4.19Å; W46-Y62 AromaticContact CZ3-CE1 3.65Å; W46-Y62 HydrophobicContact CZ3-CE1 3.65Å; L53-Y62 HydrophobicContact CD1-CD1 4.29Å; L53-Y62 HydrophobicContact CD1-CE1 3.51Å; L53-Y62 HydrophobicContact CD1-CE2 4.36Å; L55-Y62 HydrophobicContact CD1-CD1 3.87Å; L55-Y62 HydrophobicContact CD1-CG 4.04Å; L55-Y62 HydrophobicContact CD2-CG 4.39Å; L60-Y62 HydrophobicContact CD2-CD1 3.6Å; L60-Y62 HydrophobicContact CD2-CE1 3.73Å; Y62-I64 HydrophobicContact CD2-CD1 4.19Å; Y62-I64 HydrophobicContact CD2-CG1 3.98Å; Y62-I64 HydrophobicContact CE2-CD1 3.88Å; Y62-I64 HydrophobicContact CE2-CG1 4.15Å; Y62-V70 CarbonylContact C-O 3.52Å; Y62-V70 VanDerWaalsContact CA-O 3.28Å; Y62-V70 WeakPolarHBondContact CA-O 3.16Å
63L98.9Very high98.3Very high1 Ų151 Ų511%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-122.1129.6171.5-17381000109.1M3 I4 L5 V70 I76 Y79 L80M3-L63 HydrophobicContact CB-CD1 4.28Å; M3-L63 HydrophobicContact SD-CD2 4.27Å; I4-L63 CarbonylContact O-C 3.43Å; I4-L63 VanDerWaalsContact O-CA 3.31Å; I4-L63 WeakPolarHBondContact O-CA 3.42Å; L5-L63 HydrophobicContact CB-CD1 4.14Å; L5-L63 HydrophobicContact CD1-CD1 4.48Å; L63-V70 PolarHBondContact N-O 3.25Å; L63-V70 PolarHBondContact O-N 3.15Å; L63-I76 HydrophobicContact CB-CD1 4.17Å; L63-I76 HydrophobicContact CB-CG1 4.03Å; L63-I76 HydrophobicContact CB-CG2 3.88Å; L63-I76 HydrophobicContact CD2-CG2 4.07Å; L63-I76 HydrophobicContact CG-CG2 4.44Å; L63-Y79 HydrophobicContact CD2-CD1 3.75Å; L63-Y79 HydrophobicContact CD2-CE1 3.85Å; L63-L80 HydrophobicContact CD2-CD2 3.91Å; L63-L80 HydrophobicContact CD2-CG 4.25Å
64I98.6Very high98.3Very high34 Ų3450 Ų5017%0.17427%0.273CS..EExtended strand (participates in β ladder)trans-111.3121.7171-59.5176.3000108.5M3 I4 Y62 N68 K69M3-I64 CarbonylContact C-O 3.55Å; M3-I64 WeakPolarHBondContact CA-O 3.08Å; I4-I64 HydrophobicContact CB-CB 4.34Å; I4-I64 PolarHBondContact N-O 3.2Å; I4-I64 PolarHBondContact O-N 2.99Å; Y62-I64 HydrophobicContact CD2-CD1 4.19Å; Y62-I64 HydrophobicContact CD2-CG1 3.98Å; Y62-I64 HydrophobicContact CE2-CD1 3.88Å; Y62-I64 HydrophobicContact CE2-CG1 4.15Å; I64-N68 WeakPolarHBondContact CA-O 3.47Å; I64-K69 HydrophobicContact CG1-CG 4.37Å
65D98.2Very high98.4Very high18 Ų1849.7 Ų49.710%0.09627%0.265CS..EExtended strand (participates in β ladder)trans-13392.3174.6-175.410.1000110.3M3 N67 N68 Y79 K83M3-D65 HydrophobicContact CG-CB 3.71Å; M3-D65 HydrophobicContact SD-CB 4.08Å; D65-N67 PolarHBondContact O-N 3.29Å; D65-N68 PolarHBondContact N-O 2.86Å; D65-N68 WeakPolarHBondContact O-CB 3.17Å; D65-N68 PolarHBondContact O-N 3.46Å; D65-N68 PolarHBondContact O-ND2 3.32Å; D65-Y79 HydrophobicContact CB-CE1 4.22Å; D65-Y79 PolarHBondContact OD2-OH 2.99Å; D65-K83 IonicContact OD2-NZ 2.71Å; D65-K83 PolarHBondContact OD2-NZ 3.09Å
66G96.3Very high98.4Very high25 Ų2549 Ų4926%0.25826%0.262SS..THydrogen-bonded Turntrans59.4-118.9-171.200000110.7N68G66-N68 VanDerWaalsContact C-N 3.33Å
67N96.4Very high98.4Very high163 Ų16342.6 Ų42.687%0.87223%0.228SC*.THydrogen-bonded Turntrans-80.6-13.1178-65.5-17.8000113.4D65D65-N67 PolarHBondContact O-N 3.29Å
68N98Very high98.4Very high80 Ų8038.2 Ų38.243%0.42821%0.207SC..EExtended strand (participates in β ladder)trans-82.3121.6-179.8-56.5-65.2000109.6I64 D65 G66 Y79I64-N68 WeakPolarHBondContact CA-O 3.47Å; D65-N68 PolarHBondContact N-O 2.86Å; D65-N68 WeakPolarHBondContact O-CB 3.17Å; D65-N68 PolarHBondContact O-N 3.46Å; D65-N68 PolarHBondContact O-ND2 3.32Å; G66-N68 VanDerWaalsContact C-N 3.33Å; N68-Y79 HydrophobicContact CB-CE2 4.21Å; N68-Y79 PolarHBondContact ND2-OH 3.19Å
69K98.5Very high98.4Very high82 Ų8238.3 Ų38.336%0.35720%0.204SC..EExtended strand (participates in β ladder)trans-123.4101.6178.3-64.5-179.3-175.4-177.10108.8L53 G54 L55 I64L53-K69 PolarHBondContact O-NZ 3.01Å; G54-K69 WeakPolarHBondContact O-CD 3.34Å; G54-K69 PolarHBondContact O-NZ 3.11Å; L55-K69 HydrophobicContact CD2-CB 3.98Å; I64-K69 HydrophobicContact CG1-CG 4.37Å
70V98.8Very high98.4Very high29 Ų2935.3 Ų35.318%0.17619%0.188CC..EExtended strand (participates in β ladder)trans-112.6125.2-169.4-169.80000109.7Y62 L63 A75 I76 Y79Y62-V70 CarbonylContact C-O 3.52Å; Y62-V70 VanDerWaalsContact CA-O 3.28Å; Y62-V70 WeakPolarHBondContact CA-O 3.16Å; L63-V70 PolarHBondContact N-O 3.25Å; L63-V70 PolarHBondContact O-N 3.15Å; V70-A75 HydrophobicContact CG1-CB 4Å; V70-I76 HydrophobicContact CB-CG1 4.06Å; V70-I76 HydrophobicContact CG1-CG1 3.78Å; V70-Y79 HydrophobicContact CG2-CD2 4.43Å; V70-Y79 HydrophobicContact CG2-CG 4.33Å
71T98.8Very high98.4Very high14 Ų1434.6 Ų34.69%0.08618%0.184CC..EExtended strand (participates in β ladder)trans-109.1170.3168.954.40000109.8L55 F57L55-T71 HydrophobicContact CB-CG2 4.14Å; L55-T71 HydrophobicContact CD1-CG2 3.9Å; L55-T71 HydrophobicContact CD2-CG2 4.15Å; L55-T71 HydrophobicContact CG-CG2 4.27Å; F57-T71 WeakPolarHBondContact O-CG2 3.47Å; F57-T71 PolarHBondContact O-OG1 3.47Å
72Q98.7Very high98.4Very high108 Ų10841.6 Ų41.651%0.50521%0.21SC..SBendtrans74.3123.6-171.3-55.9-69.2-3.400112.8M74 A75 I76Q72-M74 VanDerWaalsContact C-N 3.34Å; Q72-M74 PolarHBondContact O-N 2.8Å; Q72-A75 HydrophobicContact CB-CB 4.05Å; Q72-A75 PolarHBondContact O-N 3.05Å; Q72-A75 VanDerWaalsContact O-N 3.15Å; Q72-I76 WeakPolarHBondContact O-CG1 3.27Å; Q72-I76 PolarHBondContact O-N 2.77Å
73S98.6Very high98.4Very high11 Ų1146.7 Ų46.78%0.07723%0.232CC..Hα-helixtrans-62.1-39.4-170.562.10000112.9L77S73-L77 PolarHBondContact O-N 3.07Å; S73-L77 VanDerWaalsContact O-N 3.09Å
74M98.5Very high98.3Very high17 Ų1749.7 Ų49.78%0.08425%0.248CC..Hα-helixtrans-70.9-37.7176.1-61.8-54.297.500112.6H16 Q72 I76 L77 R78 E101 L105 I158H16-M74 WeakPolarHBondContact NE2-CE 3.48Å; Q72-M74 VanDerWaalsContact C-N 3.34Å; Q72-M74 PolarHBondContact O-N 2.8Å; M74-I76 VanDerWaalsContact C-N 3.32Å; M74-I76 PolarHBondContact O-N 2.62Å; M74-L77 HydrophobicContact CE-CD1 3.84Å; M74-L77 PolarHBondContact O-N 2.82Å; M74-L77 HydrophobicContact SD-CD1 4.3Å; M74-R78 WeakPolarHBondContact O-CB 3.21Å; M74-R78 WeakPolarHBondContact O-CG 3.32Å; M74-R78 PolarHBondContact O-N 3.17Å; M74-E101 HydrophobicContact CG-CG 3.95Å; M74-E101 HydrophobicContact SD-CG 3.67Å; M74-L105 HydrophobicContact CE-CD2 4.41Å; M74-L105 HydrophobicContact CG-CD1 3.88Å; M74-L105 HydrophobicContact CG-CD2 4.25Å; M74-L105 HydrophobicContact CG-CG 4.4Å; M74-L105 HydrophobicContact SD-CD2 4.34Å; M74-I158 HydrophobicContact CE-CD1 4.23Å; M74-I158 HydrophobicContact CE-CG1 4.19Å; M74-I158 HydrophobicContact SD-CD1 3.42Å; M74-I158 WeakPolarHBondContact SD-CD1 3.25Å; M74-I158 HydrophobicContact SD-CG1 4.02Å
75A98.8Very high98.2Very high40 Ų4054.8 Ų54.833%0.33128%0.275SS..Hα-helixtrans-64.7-38.8176.200000111.5V70 Q72 R78 Y79V70-A75 HydrophobicContact CG1-CB 4Å; Q72-A75 HydrophobicContact CB-CB 4.05Å; Q72-A75 PolarHBondContact O-N 3.05Å; Q72-A75 VanDerWaalsContact O-N 3.15Å; A75-R78 PolarHBondContact O-N 2.92Å; A75-Y79 WeakPolarHBondContact O-CB 3.33Å; A75-Y79 PolarHBondContact O-N 2.96Å
76I98.9Very high98.3Very high0 Ų054.5 Ų54.50%027%0.274CS..Hα-helixtrans-61.9-48173.3-65.9166.8000110.7I17 P61 L63 V70 Q72 M74 Y79 L80I17-I76 HydrophobicContact CD1-CB 4.03Å; I17-I76 HydrophobicContact CD1-CD1 4.04Å; I17-I76 HydrophobicContact CD1-CG2 3.82Å; I17-I76 HydrophobicContact CG1-CG2 4.04Å; I17-I76 HydrophobicContact CG2-CG2 3.84Å; P61-I76 HydrophobicContact CB-CD1 4.13Å; P61-I76 HydrophobicContact CG-CD1 4.09Å; L63-I76 HydrophobicContact CB-CD1 4.17Å; L63-I76 HydrophobicContact CB-CG1 4.03Å; L63-I76 HydrophobicContact CB-CG2 3.88Å; L63-I76 HydrophobicContact CD2-CG2 4.07Å; L63-I76 HydrophobicContact CG-CG2 4.44Å; V70-I76 HydrophobicContact CB-CG1 4.06Å; V70-I76 HydrophobicContact CG1-CG1 3.78Å; Q72-I76 WeakPolarHBondContact O-CG1 3.27Å; Q72-I76 PolarHBondContact O-N 2.77Å; M74-I76 VanDerWaalsContact C-N 3.32Å; M74-I76 PolarHBondContact O-N 2.62Å; I76-Y79 WeakPolarHBondContact O-CB 3.41Å; I76-Y79 PolarHBondContact O-N 3.37Å; I76-L80 HydrophobicContact CG2-CD1 4.13Å; I76-L80 WeakPolarHBondContact O-CG 3.42Å; I76-L80 PolarHBondContact O-N 3.14Å
77L98.7Very high98.3Very high0 Ų055 Ų550%027%0.273CS..Hα-helixtrans-59.7-47.9176.2-77.8179.4000112H16 I17 M20 S73 M74 Y79 L80 A81 Y154 I158H16-L77 HydrophobicContact CB-CD1 4.42Å; H16-L77 VanDerWaalsContact ND1-CD1 3.34Å; H16-L77 WeakPolarHBondContact ND1-CD1 3.42Å; I17-L77 HydrophobicContact CG1-CD2 4.1Å; I17-L77 HydrophobicContact CG1-CG 4.15Å; M20-L77 HydrophobicContact CB-CD2 4.08Å; M20-L77 HydrophobicContact CG-CD2 4.49Å; M20-L77 HydrophobicContact SD-CD2 3.56Å; M20-L77 VanDerWaalsContact SD-CD2 3.56Å; S73-L77 PolarHBondContact O-N 3.07Å; S73-L77 VanDerWaalsContact O-N 3.09Å; M74-L77 HydrophobicContact CE-CD1 3.84Å; M74-L77 PolarHBondContact O-N 2.82Å; M74-L77 HydrophobicContact SD-CD1 4.3Å; L77-Y79 VanDerWaalsContact C-N 3.28Å; L77-Y79 PolarHBondContact O-N 2.78Å; L77-L80 PolarHBondContact O-N 3.12Å; L77-A81 VanDerWaalsContact O-CB 3.25Å; L77-A81 WeakPolarHBondContact O-CB 3.15Å; L77-A81 PolarHBondContact O-N 3.27Å; L77-Y154 HydrophobicContact CB-CD2 3.91Å; L77-Y154 HydrophobicContact CD1-CD2 4.32Å; L77-I158 HydrophobicContact CD1-CD1 3.7Å; L77-I158 HydrophobicContact CD1-CG1 3.32Å
78R98.8Very high98.4Very high67 Ų6748 Ų4825%0.25324%0.239SC..Hα-helixtrans-60.8-37177.5-71.3175.6-178.6-99.911.7111.7M74 A75 A81 R82 D98 E101 Y154M74-R78 WeakPolarHBondContact O-CB 3.21Å; M74-R78 WeakPolarHBondContact O-CG 3.32Å; M74-R78 PolarHBondContact O-N 3.17Å; A75-R78 PolarHBondContact O-N 2.92Å; R78-A81 PolarHBondContact O-N 3.11Å; R78-R82 WeakPolarHBondContact O-CG 3.33Å; R78-R82 PolarHBondContact O-N 3.16Å; R78-R82 PolarHBondContact O-NH1 3.03Å; R78-D98 IonicContact CZ-OD1 3.57Å; R78-D98 VanDerWaalsContact CZ-OD1 3.27Å; R78-D98 IonicContact NH1-OD1 3.72Å; R78-D98 PolarHBondContact NH1-OD1 3.38Å; R78-D98 IonicContact NH2-OD1 2.71Å; R78-D98 PolarHBondContact NH2-OD1 3.2Å; R78-E101 IonicContact CZ-OE1 2.96Å; R78-E101 IonicContact CZ-OE2 3.72Å; R78-E101 IonicContact NE-OE1 2.73Å; R78-E101 PolarHBondContact NE-OE1 3.15Å; R78-E101 IonicContact NE-OE2 2.83Å; R78-E101 PolarHBondContact NE-OE2 3.43Å; R78-E101 IonicContact NH2-OE1 3.25Å; R78-E101 PolarHBondContact NH2-OE1 3.31Å; R78-E101 IonicContact NH2-OE2 2.79Å; R78-E101 PolarHBondContact NH2-OE2 3.47Å; R78-E101 VanDerWaalsContact NH2-OE2 3.07Å; R78-Y154 HydrophobicContact CG-CE1 4.03Å; R78-Y154 HydrophobicContact CG-CE2 3.92Å; R78-Y154 PolarHBondContact NE-OH 2.87Å; R78-Y154 VanDerWaalsContact NE-OH 3.17Å; R78-Y154 PolarHBondContact NH1-OH 3.11Å; R78-Y154 VanDerWaalsContact NH1-OH 3.14Å; R78-Y154 PolarHBondContact NH2-OH 2.7Å
79Y98.8Very high98.4Very high28 Ų2848.6 Ų48.611%0.1124%0.242CC..Hα-helixtrans-61.8-52173.5171.2-98.9000111.9L63 D65 N68 V70 A75 I76 L77 A81 R82 K83L63-Y79 HydrophobicContact CD2-CD1 3.75Å; L63-Y79 HydrophobicContact CD2-CE1 3.85Å; D65-Y79 HydrophobicContact CB-CE1 4.22Å; D65-Y79 PolarHBondContact OD2-OH 2.99Å; N68-Y79 HydrophobicContact CB-CE2 4.21Å; N68-Y79 PolarHBondContact ND2-OH 3.19Å; V70-Y79 HydrophobicContact CG2-CD2 4.43Å; V70-Y79 HydrophobicContact CG2-CG 4.33Å; A75-Y79 WeakPolarHBondContact O-CB 3.33Å; A75-Y79 PolarHBondContact O-N 2.96Å; I76-Y79 WeakPolarHBondContact O-CB 3.41Å; I76-Y79 PolarHBondContact O-N 3.37Å; L77-Y79 VanDerWaalsContact C-N 3.28Å; L77-Y79 PolarHBondContact O-N 2.78Å; Y79-A81 VanDerWaalsContact C-N 3.26Å; Y79-A81 PolarHBondContact O-N 3.01Å; Y79-R82 PolarHBondContact O-N 3.46Å; Y79-K83 HydrophobicContact CD1-CD 4.45Å; Y79-K83 HydrophobicContact CE1-CD 3.73Å; Y79-K83 HydrophobicContact CE2-CD 4.3Å; Y79-K83 PolarHBondContact O-N 3.17Å
80L98.6Very high98.4Very high2 Ų247.5 Ų47.51%0.0124%0.242CC..Hα-helixtrans-62.2-36.7176.9-66.7173.9000111.4M3 I17 M20 L21 L63 I76 L77 K83 N84M3-L80 HydrophobicContact CE-CD2 4.39Å; M3-L80 HydrophobicContact SD-CD2 4.09Å; I17-L80 HydrophobicContact CG2-CD1 4.01Å; M20-L80 HydrophobicContact CE-CB 4.07Å; M20-L80 HydrophobicContact CG-CB 4.5Å; M20-L80 HydrophobicContact SD-CB 3.71Å; M20-L80 HydrophobicContact SD-CD1 4.38Å; L21-L80 HydrophobicContact CD2-CD1 3.8Å; L21-L80 HydrophobicContact CD2-CD2 3.82Å; L21-L80 HydrophobicContact CD2-CG 4.49Å; L21-L80 HydrophobicContact CG-CD1 3.98Å; L63-L80 HydrophobicContact CD2-CD2 3.91Å; L63-L80 HydrophobicContact CD2-CG 4.25Å; I76-L80 HydrophobicContact CG2-CD1 4.13Å; I76-L80 WeakPolarHBondContact O-CG 3.42Å; I76-L80 PolarHBondContact O-N 3.14Å; L77-L80 PolarHBondContact O-N 3.12Å; L80-K83 PolarHBondContact O-N 3.08Å; L80-N84 PolarHBondContact O-N 2.74Å; L80-N84 PolarHBondContact O-ND2 3.38Å
81A98.6Very high98.3Very high0 Ų051.6 Ų51.60%026%0.26CS..Hα-helixtrans-62.3-46.8178.100000112.1M20 L77 R78 Y79 K83 N84 N85 L86 C87 Y154M20-A81 HydrophobicContact CE-CB 3.72Å; M20-A81 VanDerWaalsContact CE-N 3.35Å; L77-A81 VanDerWaalsContact O-CB 3.25Å; L77-A81 WeakPolarHBondContact O-CB 3.15Å; L77-A81 PolarHBondContact O-N 3.27Å; R78-A81 PolarHBondContact O-N 3.11Å; Y79-A81 VanDerWaalsContact C-N 3.26Å; Y79-A81 PolarHBondContact O-N 3.01Å; A81-K83 VanDerWaalsContact C-N 3.3Å; A81-K83 PolarHBondContact O-N 3.38Å; A81-N84 CarbonylContact O-C 3.54Å; A81-N84 PolarHBondContact O-N 3.11Å; A81-N85 PolarHBondContact O-N 3Å; A81-L86 HydrophobicContact CB-CB 4.08Å; A81-L86 PolarHBondContact O-N 3.34Å; A81-C87 WeakPolarHBondContact CB-SG 3.16Å; A81-Y154 HydrophobicContact CB-CD1 3.6Å; A81-Y154 HydrophobicContact CB-CG 3.91Å
82R98.6Very high98.3Very high151 Ų15156.2 Ų56.257%0.5728%0.28SS*.Hα-helixtrans-62.1-37.3177.8-74.5-173.1-63.5-87.82.2112.1R78 Y79 N84 C87R78-R82 WeakPolarHBondContact O-CG 3.33Å; R78-R82 PolarHBondContact O-N 3.16Å; R78-R82 PolarHBondContact O-NH1 3.03Å; Y79-R82 PolarHBondContact O-N 3.46Å; R82-N84 PolarHBondContact O-N 3.16Å; R82-C87 VanDerWaalsContact CG-SG 3.54Å
83K97.4Very high98.3Very high111 Ų11152.5 Ų52.548%0.48326%0.263SS..Hα-helixtrans-66.7-19.4176-69.6-171.275178.40113.8D65 Y79 L80 A81D65-K83 IonicContact OD2-NZ 2.71Å; D65-K83 PolarHBondContact OD2-NZ 3.09Å; Y79-K83 HydrophobicContact CD1-CD 4.45Å; Y79-K83 HydrophobicContact CE1-CD 3.73Å; Y79-K83 HydrophobicContact CE2-CD 4.3Å; Y79-K83 PolarHBondContact O-N 3.17Å; L80-K83 PolarHBondContact O-N 3.08Å; A81-K83 VanDerWaalsContact C-N 3.3Å; A81-K83 PolarHBondContact O-N 3.38Å
84N97.7Very high98.3Very high63 Ų6356 Ų5634%0.33728%0.277SS..THydrogen-bonded Turntrans-124.912.2-171.3-66-80.4000113.5T24 L80 A81 R82 L86T24-N84 HydrophobicContact CG2-CB 3.88Å; T24-N84 VanDerWaalsContact CG2-CG 3.46Å; L80-N84 PolarHBondContact O-N 2.74Å; L80-N84 PolarHBondContact O-ND2 3.38Å; A81-N84 CarbonylContact O-C 3.54Å; A81-N84 PolarHBondContact O-N 3.11Å; R82-N84 PolarHBondContact O-N 3.16Å; N84-L86 HydrophobicContact CB-CD1 3.94Å; N84-L86 HydrophobicContact CB-CG 4.19Å; N84-L86 PolarHBondContact O-N 3.31Å
85N97.5Very high98.3Very high141 Ų14159.2 Ų59.275%0.75429%0.293SS*.THydrogen-bonded Turntrans56.744.3-178.2-55.8-44000114.2A81A81-N85 PolarHBondContact O-N 3Å
86L98.5Very high98.3Very high13 Ų1360.6 Ų60.67%0.06829%0.29CS..  trans-112.625.2-177.9-61.9169.7000113.3M20 Y23 T24 A81 N84 L152 T153 Y154M20-L86 HydrophobicContact CE-CB 4.11Å; M20-L86 HydrophobicContact CE-CD1 3.47Å; M20-L86 VanDerWaalsContact CE-CD1 3.47Å; M20-L86 HydrophobicContact CE-CG 4.41Å; Y23-L86 HydrophobicContact CD1-CD1 4.34Å; Y23-L86 HydrophobicContact CE1-CD1 4.14Å; Y23-L86 HydrophobicContact CE1-CD2 4.39Å; T24-L86 HydrophobicContact CG2-CD1 4.12Å; A81-L86 HydrophobicContact CB-CB 4.08Å; A81-L86 PolarHBondContact O-N 3.34Å; N84-L86 HydrophobicContact CB-CD1 3.94Å; N84-L86 HydrophobicContact CB-CG 4.19Å; N84-L86 PolarHBondContact O-N 3.31Å; L86-L152 WeakPolarHBondContact CD2-O 3.29Å; L86-T153 WeakPolarHBondContact O-CA 3.4Å; L86-T153 WeakPolarHBondContact O-CB 3.45Å; L86-Y154 WeakPolarHBondContact O-CD1 3.4Å; L86-Y154 PolarHBondContact O-N 3.34Å
87C97.9Very high98.3Very high36 Ų3660.7 Ų60.724%0.24329%0.291CS..SBendtrans-99.83.3-176.2-68.50000115A81 R82 I97A81-C87 WeakPolarHBondContact CB-SG 3.16Å; R82-C87 VanDerWaalsContact CG-SG 3.54Å; C87-I97 VanDerWaalsContact O-CD1 3.23Å; C87-I97 WeakPolarHBondContact O-CD1 3.44Å
88G97.4Very high98.3Very high14 Ų1463.9 Ų63.914%0.14431%0.307CS..  trans78146.8-167.700000112.3
89D97.3Very high98.3Very high94 Ų9466.2 Ų66.250%0.50332%0.323SS..SBendtrans-97.5-33.9-173.5-60.4-37.5000111.9K151D89-K151 IonicContact OD2-NZ 2.57Å; D89-K151 PolarHBondContact OD2-NZ 3.12Å
90T98.4Very high98.3Very high58 Ų5865.2 Ų65.236%0.35632%0.319SS..SBendtrans-107.8162.2-176.783.80000112.2E92 Q93 K94T90-E92 VanDerWaalsContact C-N 3.29Å; T90-E92 WeakPolarHBondContact CB-OE2 3.48Å; T90-E92 PolarHBondContact O-N 3.01Å; T90-E92 PolarHBondContact OG1-N 2.87Å; T90-E92 PolarHBondContact OG1-OE2 3.12Å; T90-Q93 PolarHBondContact O-N 3.29Å; T90-Q93 PolarHBondContact OG1-N 3.2Å; T90-K94 WeakPolarHBondContact O-CG 3.38Å; T90-K94 PolarHBondContact O-N 2.87Å; T90-K94 VanDerWaalsContact O-N 3.08Å
91E98.5Very high98.3Very high116 Ų11665.5 Ų65.554%0.54232%0.32SS..Hα-helixtrans-61.7-39.4177.4-172.858.4-16300111.8Q93 K94 I95E91-Q93 VanDerWaalsContact C-N 3.27Å; E91-Q93 PolarHBondContact O-N 3.15Å; E91-K94 PolarHBondContact O-N 3.26Å; E91-K94 VanDerWaalsContact O-N 3.16Å; E91-I95 HydrophobicContact CG-CD1 4.08Å; E91-I95 WeakPolarHBondContact O-CG1 3.36Å; E91-I95 PolarHBondContact O-N 3.17Å
92E98.6Very high98.3Very high110 Ų11070.4 Ų70.451%0.51434%0.343SS..Hα-helixtrans-63.7-35177.7-55.576.3-166.300112T90 R96T90-E92 VanDerWaalsContact C-N 3.29Å; T90-E92 WeakPolarHBondContact CB-OE2 3.48Å; T90-E92 PolarHBondContact O-N 3.01Å; T90-E92 PolarHBondContact OG1-N 2.87Å; T90-E92 PolarHBondContact OG1-OE2 3.12Å; E92-R96 WeakPolarHBondContact O-CG 3.48Å; E92-R96 PolarHBondContact O-N 2.71Å; E92-R96 VanDerWaalsContact O-N 3.16Å
93Q98.7Very high98.3Very high30 Ų3067.7 Ų67.714%0.1434%0.337CS..Hα-helixtrans-69-42.5175.1-68.8178.3-9.500111T90 E91 R96 I97 A148T90-Q93 PolarHBondContact O-N 3.29Å; T90-Q93 PolarHBondContact OG1-N 3.2Å; E91-Q93 VanDerWaalsContact C-N 3.27Å; E91-Q93 PolarHBondContact O-N 3.15Å; Q93-R96 PolarHBondContact O-N 3.15Å; Q93-I97 WeakPolarHBondContact O-CD1 3.39Å; Q93-I97 WeakPolarHBondContact O-CG1 3.34Å; Q93-I97 PolarHBondContact O-N 2.87Å; Q93-A148 HydrophobicContact CB-CB 4.36Å
94K98.7Very high98.3Very high86 Ų8662.5 Ų62.537%0.37432%0.315SS..Hα-helixtrans-63-45.4177.4-67169.6-168.51680111.8T90 E91 R96 I97 D98T90-K94 WeakPolarHBondContact O-CG 3.38Å; T90-K94 PolarHBondContact O-N 2.87Å; T90-K94 VanDerWaalsContact O-N 3.08Å; E91-K94 PolarHBondContact O-N 3.26Å; E91-K94 VanDerWaalsContact O-N 3.16Å; K94-R96 VanDerWaalsContact C-N 3.3Å; K94-R96 PolarHBondContact O-N 3.2Å; K94-I97 WeakPolarHBondContact O-CB 3.22Å; K94-I97 PolarHBondContact O-N 2.77Å; K94-I97 VanDerWaalsContact O-N 3.12Å; K94-D98 PolarHBondContact O-N 2.89Å
95I98.8Very high98.3Very high84 Ų8461.6 Ų61.643%0.43131%0.31SS..Hα-helixtrans-55.3-46.8174.1-69.6166.8000110.6E91 I97 D98 M99E91-I95 HydrophobicContact CG-CD1 4.08Å; E91-I95 WeakPolarHBondContact O-CG1 3.36Å; E91-I95 PolarHBondContact O-N 3.17Å; I95-I97 VanDerWaalsContact C-N 3.34Å; I95-I97 PolarHBondContact O-N 2.89Å; I95-D98 PolarHBondContact O-N 2.98Å; I95-M99 HydrophobicContact CG2-CG 4.49Å; I95-M99 HydrophobicContact CG2-SD 3.95Å; I95-M99 WeakPolarHBondContact O-CB 3.33Å; I95-M99 WeakPolarHBondContact O-CG 3.36Å; I95-M99 PolarHBondContact O-N 2.69Å
96R98.8Very high98.3Very high68 Ų6859.8 Ų59.826%0.25730%0.3SS..Hα-helixtrans-61.7-43.5178.2-74.2175.8-172135.511112.3E92 Q93 K94 L100 F140 A148E92-R96 WeakPolarHBondContact O-CG 3.48Å; E92-R96 PolarHBondContact O-N 2.71Å; E92-R96 VanDerWaalsContact O-N 3.16Å; Q93-R96 PolarHBondContact O-N 3.15Å; K94-R96 VanDerWaalsContact C-N 3.3Å; K94-R96 PolarHBondContact O-N 3.2Å; R96-L100 WeakPolarHBondContact O-CB 3.45Å; R96-L100 PolarHBondContact O-N 3.28Å; R96-F140 HydrophobicContact CB-CE1 4.32Å; R96-F140 HydrophobicContact CB-CZ 3.79Å; R96-F140 HydrophobicContact CG-CE2 4.41Å; R96-F140 HydrophobicContact CG-CZ 3.77Å; R96-A148 PolarHBondContact NH1-O 3.23Å
97I98.9Very high98.3Very high3 Ų360.1 Ų60.12%0.01530%0.302CS..Hα-helixtrans-62.4-48.3179.6-70.5162.8000110.4C87 Q93 K94 I95 L100 E101 A148 T153 Y154 A155C87-I97 VanDerWaalsContact O-CD1 3.23Å; C87-I97 WeakPolarHBondContact O-CD1 3.44Å; Q93-I97 WeakPolarHBondContact O-CD1 3.39Å; Q93-I97 WeakPolarHBondContact O-CG1 3.34Å; Q93-I97 PolarHBondContact O-N 2.87Å; K94-I97 WeakPolarHBondContact O-CB 3.22Å; K94-I97 PolarHBondContact O-N 2.77Å; K94-I97 VanDerWaalsContact O-N 3.12Å; I95-I97 VanDerWaalsContact C-N 3.34Å; I95-I97 PolarHBondContact O-N 2.89Å; I97-L100 PolarHBondContact O-N 3.37Å; I97-E101 WeakPolarHBondContact O-CB 3.32Å; I97-E101 PolarHBondContact O-N 3.06Å; I97-A148 HydrophobicContact CD1-CB 4.07Å; I97-A148 HydrophobicContact CG1-CB 3.83Å; I97-T153 HydrophobicContact CD1-CG2 3.89Å; I97-Y154 HydrophobicContact CG2-CD1 4.28Å; I97-Y154 HydrophobicContact CG2-CE1 3.35Å; I97-Y154 HydrophobicContact CG2-CE2 4.27Å; I97-Y154 WeakPolarHBondContact CG2-OH 3.24Å; I97-A155 HydrophobicContact CB-CB 4.35Å; I97-A155 HydrophobicContact CG1-CB 4.08Å; I97-A155 HydrophobicContact CG2-CB 4.07Å
98D98.8Very high98.3Very high66 Ų6659 Ų5935%0.35329%0.292SS..Hα-helixtrans-65.2-44.5-177.5-71.3-30.3000111.9R78 K94 I95 Q102R78-D98 IonicContact CZ-OD1 3.57Å; R78-D98 VanDerWaalsContact CZ-OD1 3.27Å; R78-D98 IonicContact NH1-OD1 3.72Å; R78-D98 PolarHBondContact NH1-OD1 3.38Å; R78-D98 IonicContact NH2-OD1 2.71Å; R78-D98 PolarHBondContact NH2-OD1 3.2Å; K94-D98 PolarHBondContact O-N 2.89Å; I95-D98 PolarHBondContact O-N 2.98Å; D98-Q102 WeakPolarHBondContact O-CG 3.42Å; D98-Q102 PolarHBondContact O-N 3.38Å
99M98.7Very high98.3Very high117 Ų11761.1 Ų61.158%0.57631%0.309SS*.Hα-helixtrans-62.1-45175.6-71.9-179.865.400111.9I95 Q102 Q103I95-M99 HydrophobicContact CG2-CG 4.49Å; I95-M99 HydrophobicContact CG2-SD 3.95Å; I95-M99 WeakPolarHBondContact O-CB 3.33Å; I95-M99 WeakPolarHBondContact O-CG 3.36Å; I95-M99 PolarHBondContact O-N 2.69Å; M99-Q102 PolarHBondContact O-N 3.15Å; M99-Q103 VanDerWaalsContact O-CB 3.32Å; M99-Q103 WeakPolarHBondContact O-CB 3.39Å; M99-Q103 PolarHBondContact O-N 3.41Å
100L98.7Very high98.3Very high6 Ų659.5 Ų59.53%0.03131%0.305CS..Hα-helixtrans-69.1-39.3-177-174.968.6000112.4R96 I97 Q103 C104 F137 F140 F147 A155 M159R96-L100 WeakPolarHBondContact O-CB 3.45Å; R96-L100 PolarHBondContact O-N 3.28Å; I97-L100 PolarHBondContact O-N 3.37Å; L100-Q103 PolarHBondContact O-N 3.17Å; L100-C104 WeakPolarHBondContact O-CB 3.41Å; L100-C104 PolarHBondContact O-N 3.18Å; L100-F137 HydrophobicContact CD1-CD1 3.7Å; L100-F137 HydrophobicContact CD1-CE1 3.81Å; L100-F140 HydrophobicContact CB-CE1 4.14Å; L100-F140 HydrophobicContact CD1-CD1 4.07Å; L100-F140 HydrophobicContact CD1-CE1 4.12Å; L100-F140 HydrophobicContact CD2-CE1 4.31Å; L100-F140 HydrophobicContact CG-CE1 4.47Å; L100-F147 HydrophobicContact CD1-CD1 3.88Å; L100-F147 HydrophobicContact CD1-CE1 4.06Å; L100-F147 HydrophobicContact CD2-CB 3.32Å; L100-F147 HydrophobicContact CD2-CD1 3.43Å; L100-F147 VanDerWaalsContact CD2-CD1 3.43Å; L100-F147 HydrophobicContact CD2-CD2 4.25Å; L100-F147 HydrophobicContact CD2-CE1 4.28Å; L100-F147 HydrophobicContact CD2-CG 3.41Å; L100-F147 VanDerWaalsContact CD2-CG 3.41Å; L100-F147 HydrophobicContact CG-CD1 4.32Å; L100-A155 HydrophobicContact CD2-CB 4.06Å; L100-M159 HydrophobicContact CD1-CE 4.38Å; L100-M159 HydrophobicContact CD1-CG 3.9Å; L100-M159 HydrophobicContact CD1-SD 3.58Å; L100-M159 VanDerWaalsContact CD1-SD 3.58Å; L100-M159 HydrophobicContact CD2-CG 3.6Å; L100-M159 HydrophobicContact CD2-SD 4.35Å; L100-M159 HydrophobicContact CG-CG 3.77Å; L100-M159 HydrophobicContact CG-SD 3.85Å
101E98.6Very high98.3Very high8 Ų856.8 Ų56.84%0.03729%0.288CS..Hα-helixtrans-54.8-53.1173.3176.2177.3118.700110.4M74 R78 I97 C104 L105 Y154 I158M74-E101 HydrophobicContact CG-CG 3.95Å; M74-E101 HydrophobicContact SD-CG 3.67Å; R78-E101 IonicContact CZ-OE1 2.96Å; R78-E101 IonicContact CZ-OE2 3.72Å; R78-E101 IonicContact NE-OE1 2.73Å; R78-E101 PolarHBondContact NE-OE1 3.15Å; R78-E101 IonicContact NE-OE2 2.83Å; R78-E101 PolarHBondContact NE-OE2 3.43Å; R78-E101 IonicContact NH2-OE1 3.25Å; R78-E101 PolarHBondContact NH2-OE1 3.31Å; R78-E101 IonicContact NH2-OE2 2.79Å; R78-E101 PolarHBondContact NH2-OE2 3.47Å; R78-E101 VanDerWaalsContact NH2-OE2 3.07Å; I97-E101 WeakPolarHBondContact O-CB 3.32Å; I97-E101 PolarHBondContact O-N 3.06Å; E101-C104 PolarHBondContact O-N 3.32Å; E101-L105 WeakPolarHBondContact O-CG 3.45Å; E101-L105 PolarHBondContact O-N 3.33Å; E101-Y154 WeakPolarHBondContact OE2-CE2 3.31Å; E101-Y154 VanDerWaalsContact OE2-CZ 3.25Å; E101-Y154 PolarHBondContact OE2-OH 2.67Å; E101-I158 HydrophobicContact CB-CD1 4.41Å; E101-I158 HydrophobicContact CG-CD1 4.16Å
102Q98.6Very high98.2Very high103 Ų10353 Ų5348%0.48127%0.273SS..Hα-helixtrans-65.1-45.6-178.6-67.4-58.8119.300111.9D98 M99 C104 L105 D106D98-Q102 WeakPolarHBondContact O-CG 3.42Å; D98-Q102 PolarHBondContact O-N 3.38Å; M99-Q102 PolarHBondContact O-N 3.15Å; Q102-C104 VanDerWaalsContact C-N 3.27Å; Q102-C104 PolarHBondContact O-N 3.26Å; Q102-L105 WeakPolarHBondContact O-CB 3.42Å; Q102-L105 PolarHBondContact O-N 3.44Å; Q102-L105 VanDerWaalsContact O-N 3.1Å; Q102-D106 PolarHBondContact O-N 3.36Å; Q102-D106 VanDerWaalsContact O-N 3.09Å
103Q98.4Very high98.2Very high94 Ų9454.7 Ų54.744%0.43928%0.275SS..Hα-helixtrans-62.2-36.5178.8-169.264.931.100112.1M99 L100 D106 L107 F137M99-Q103 VanDerWaalsContact O-CB 3.32Å; M99-Q103 WeakPolarHBondContact O-CB 3.39Å; M99-Q103 PolarHBondContact O-N 3.41Å; L100-Q103 PolarHBondContact O-N 3.17Å; Q103-D106 PolarHBondContact O-N 3.01Å; Q103-L107 PolarHBondContact O-N 3.44Å; Q103-F137 HydrophobicContact CB-CE1 4.17Å; Q103-F137 HydrophobicContact CB-CZ 4.45Å; Q103-F137 HydrophobicContact CG-CE1 3.74Å; Q103-F137 HydrophobicContact CG-CZ 3.79Å
104C98Very high98.1Very high3 Ų353.4 Ų53.42%0.0227%0.269CS..Hα-helixtrans-68.9-37.2175.7-173.50000112.1L100 E101 Q102 D106 L107 R108 I158 M159 M162L100-C104 WeakPolarHBondContact O-CB 3.41Å; L100-C104 PolarHBondContact O-N 3.18Å; E101-C104 PolarHBondContact O-N 3.32Å; Q102-C104 VanDerWaalsContact C-N 3.27Å; Q102-C104 PolarHBondContact O-N 3.26Å; C104-D106 VanDerWaalsContact C-N 3.32Å; C104-L107 PolarHBondContact O-N 2.85Å; C104-R108 VanDerWaalsContact O-CB 3.3Å; C104-R108 WeakPolarHBondContact O-CB 3.47Å; C104-R108 PolarHBondContact O-N 3.44Å; C104-I158 HydrophobicContact CB-CG2 3.75Å; C104-I158 WeakPolarHBondContact SG-CG2 3.36Å; C104-M159 HydrophobicContact CB-SD 3.87Å; C104-M162 WeakPolarHBondContact SG-CB 3.48Å; C104-M162 VanDerWaalsContact SG-CG 3.5Å
105L96.6Very high98.1Very high44 Ų4449.3 Ų49.323%0.2325%0.251CS..Hα-helixtrans-63.7-38.2175.5-73.9176.7000111.9M74 E101 Q102 R108 A109M74-L105 HydrophobicContact CE-CD2 4.41Å; M74-L105 HydrophobicContact CG-CD1 3.88Å; M74-L105 HydrophobicContact CG-CD2 4.25Å; M74-L105 HydrophobicContact CG-CG 4.4Å; M74-L105 HydrophobicContact SD-CD2 4.34Å; E101-L105 WeakPolarHBondContact O-CG 3.45Å; E101-L105 PolarHBondContact O-N 3.33Å; Q102-L105 WeakPolarHBondContact O-CB 3.42Å; Q102-L105 PolarHBondContact O-N 3.44Å; Q102-L105 VanDerWaalsContact O-N 3.1Å; L105-R108 PolarHBondContact O-N 3.24Å; L105-A109 WeakPolarHBondContact O-CB 3.46Å; L105-A109 PolarHBondContact O-N 3.36Å
106D98.1Very high98Very high102 Ų10249 Ų4955%0.54525%0.245SC..Hα-helixtrans-64-46.3176.9-71.2-21.9000111.8Q102 Q103 C104 R108 A109 S110Q102-D106 PolarHBondContact O-N 3.36Å; Q102-D106 VanDerWaalsContact O-N 3.09Å; Q103-D106 PolarHBondContact O-N 3.01Å; C104-D106 VanDerWaalsContact C-N 3.32Å; D106-R108 VanDerWaalsContact C-N 3.31Å; D106-R108 PolarHBondContact O-N 3.36Å; D106-A109 PolarHBondContact O-N 3.26Å; D106-S110 PolarHBondContact O-N 2.76Å; D106-S110 VanDerWaalsContact O-N 3.09Å
107L97.8Very high97.9Very high20 Ų2050.1 Ų50.111%0.10526%0.259CS..Hα-helixtrans-60.6-43.8174.1178.861.1000111Q103 C104 A109 S110 F111 Y126 F137 M162Q103-L107 PolarHBondContact O-N 3.44Å; C104-L107 PolarHBondContact O-N 2.85Å; L107-A109 VanDerWaalsContact C-N 3.33Å; L107-A109 PolarHBondContact O-N 3Å; L107-S110 PolarHBondContact O-N 2.84Å; L107-F111 PolarHBondContact O-N 2.93Å; L107-Y126 HydrophobicContact CD1-CE2 4.32Å; L107-F137 HydrophobicContact CD2-CE2 3.74Å; L107-F137 HydrophobicContact CD2-CZ 4.43Å; L107-M162 HydrophobicContact CD2-CE 4.43Å; L107-M162 HydrophobicContact CD2-CG 3.92Å; L107-M162 HydrophobicContact CD2-SD 4.42Å; L107-M162 HydrophobicContact CG-CE 4.38Å; L107-M162 HydrophobicContact CG-CG 4.46Å; L107-M162 HydrophobicContact CG-SD 4.35Å
108R97.7Very high97.8Very high12 Ų1253.3 Ų53.35%0.04528%0.276CS..Hα-helixtrans-62.6-40.1178.7-170.6169.1-177132.611.9111.9G12 F13 C104 L105 D106 F111 V112 M162G12-R108 PolarHBondContact O-NH2 3.26Å; F13-R108 VanDerWaalsContact CE1-CD 3.49Å; F13-R108 HydrophobicContact CE1-CG 4.18Å; F13-R108 HydrophobicContact CZ-CG 4.33Å; C104-R108 VanDerWaalsContact O-CB 3.3Å; C104-R108 WeakPolarHBondContact O-CB 3.47Å; C104-R108 PolarHBondContact O-N 3.44Å; L105-R108 PolarHBondContact O-N 3.24Å; D106-R108 VanDerWaalsContact C-N 3.31Å; D106-R108 PolarHBondContact O-N 3.36Å; R108-F111 PolarHBondContact O-N 3.05Å; R108-V112 HydrophobicContact CG-CG2 4.33Å; R108-V112 WeakPolarHBondContact O-CB 3.33Å; R108-V112 VanDerWaalsContact O-CG2 3.26Å; R108-V112 WeakPolarHBondContact O-CG2 3.13Å; R108-V112 PolarHBondContact O-N 2.89Å; R108-M162 HydrophobicContact CB-SD 3.7Å; R108-M162 HydrophobicContact CG-SD 4.18Å
109A97.4Very high97.8Very high59 Ų5950.7 Ų50.749%0.48826%0.262SS..Hα-helixtrans-63.3-43.9177.300000111.5L105 D106 L107 V112 R113L105-A109 WeakPolarHBondContact O-CB 3.46Å; L105-A109 PolarHBondContact O-N 3.36Å; D106-A109 PolarHBondContact O-N 3.26Å; L107-A109 VanDerWaalsContact C-N 3.33Å; L107-A109 PolarHBondContact O-N 3Å; A109-V112 PolarHBondContact O-N 2.75Å; A109-R113 WeakPolarHBondContact O-CB 3.42Å; A109-R113 PolarHBondContact O-N 2.63Å
110S97.4Very high97.7Very high61 Ų6151.8 Ų51.843%0.42727%0.266SS..Hα-helixtrans-59.8-47.2174.4-176.20000111.8D106 L107 R113 M114D106-S110 PolarHBondContact O-N 2.76Å; D106-S110 VanDerWaalsContact O-N 3.09Å; L107-S110 PolarHBondContact O-N 2.84Å; S110-R113 PolarHBondContact O-N 3.02Å; S110-M114 PolarHBondContact O-N 2.9Å
111F98.2Very high97.7Very high1 Ų153.5 Ų53.50%0.00429%0.285CS..Hα-helixtrans-61.8-47.7178.2-174.6-111.1000112.5L107 R108 R113 M114 C115 Y126 F169 W214L107-F111 PolarHBondContact O-N 2.93Å; R108-F111 PolarHBondContact O-N 3.05Å; F111-R113 PolarHBondContact O-N 3.13Å; F111-M114 HydrophobicContact CD2-CE 3.46Å; F111-M114 VanDerWaalsContact CD2-CE 3.46Å; F111-M114 HydrophobicContact CE2-CE 3.55Å; F111-M114 HydrophobicContact CG-CE 4.49Å; F111-M114 PolarHBondContact O-N 3.07Å; F111-C115 PolarHBondContact O-N 3.08Å; F111-C115 PolarHBondContact O-SG 2.94Å; F111-C115 VanDerWaalsContact O-SG 3.36Å; F111-Y126 HydrophobicContact CB-CE2 4.11Å; F111-Y126 AromaticContact CD2-CE1 3.96Å; F111-Y126 HydrophobicContact CD2-CE1 3.96Å; F111-Y126 HydrophobicContact CD2-CE2 4.26Å; F111-Y126 AromaticContact CD2-CZ 3.64Å; F111-Y126 WeakPolarHBondContact CD2-OH 3.42Å; F111-F169 HydrophobicContact CE2-CB 3.87Å; F111-F169 AromaticContact CE2-CD1 3.79Å; F111-F169 HydrophobicContact CE2-CD1 3.79Å; F111-F169 AromaticContact CE2-CD2 3.82Å; F111-F169 HydrophobicContact CE2-CD2 3.82Å; F111-F169 HydrophobicContact CE2-CE1 4.25Å; F111-F169 HydrophobicContact CE2-CE2 4.3Å; F111-F169 AromaticContact CE2-CG 3.55Å; F111-F169 HydrophobicContact CE2-CG 3.55Å; F111-F169 HydrophobicContact CE2-CZ 4.49Å; F111-F169 HydrophobicContact CZ-CB 3.95Å; F111-F169 HydrophobicContact CZ-CD2 4.05Å; F111-F169 AromaticContact CZ-CG 3.98Å; F111-F169 HydrophobicContact CZ-CG 3.98Å; F111-W214 HydrophobicContact CE1-CE3 4.19Å; F111-W214 AromaticContact CE1-CZ3 3.84Å; F111-W214 HydrophobicContact CE1-CZ3 3.84Å; F111-W214 AromaticContact CZ-CE3 3.73Å; F111-W214 HydrophobicContact CZ-CE3 3.73Å; F111-W214 HydrophobicContact CZ-CH2 4.17Å; F111-W214 AromaticContact CZ-CZ3 3.49Å; F111-W214 HydrophobicContact CZ-CZ3 3.49Å; F111-W214 VanDerWaalsContact CZ-CZ3 3.49Å
112V97.5Very high97.7Very high37 Ų3755.1 Ų55.122%0.22429%0.294CS..Hα-helixtrans-62.3-42.8177.8169.30000110.8R108 A109 M114 C115 Y116R108-V112 HydrophobicContact CG-CG2 4.33Å; R108-V112 WeakPolarHBondContact O-CB 3.33Å; R108-V112 VanDerWaalsContact O-CG2 3.26Å; R108-V112 WeakPolarHBondContact O-CG2 3.13Å; R108-V112 PolarHBondContact O-N 2.89Å; A109-V112 PolarHBondContact O-N 2.75Å; V112-M114 VanDerWaalsContact C-N 3.33Å; V112-M114 PolarHBondContact O-N 3.36Å; V112-C115 PolarHBondContact O-N 3.32Å; V112-Y116 HydrophobicContact CG1-CD2 3.85Å; V112-Y116 HydrophobicContact CG1-CE2 4.09Å; V112-Y116 WeakPolarHBondContact O-CD2 3.2Å; V112-Y116 PolarHBondContact O-N 3.06Å; V112-Y116 VanDerWaalsContact O-N 3.08Å
113R97.2Very high97.7Very high145 Ų14553.6 Ų53.655%0.54729%0.286SS..Hα-helixtrans-56.5-48.8176.2-179.2-179.7179.1-84.8-3.8111A109 S110 F111 C115 Y116 V117A109-R113 WeakPolarHBondContact O-CB 3.42Å; A109-R113 PolarHBondContact O-N 2.63Å; S110-R113 PolarHBondContact O-N 3.02Å; F111-R113 PolarHBondContact O-N 3.13Å; R113-C115 PolarHBondContact O-N 3.03Å; R113-Y116 PolarHBondContact O-N 3.31Å; R113-V117 HydrophobicContact CG-CG2 4.02Å; R113-V117 VanDerWaalsContact O-CB 3.25Å; R113-V117 WeakPolarHBondContact O-CB 3.43Å; R113-V117 WeakPolarHBondContact O-CG2 3.41Å; R113-V117 PolarHBondContact O-N 2.83Å
114M97.7Very high97.7Very high3 Ų353 Ų532%0.01529%0.29CS..Hα-helixtrans-57.6-48.8176.2173.2-172.468.500111.5S110 F111 V112 Y116 D118 L119 L122 K123 Y126 F169S110-M114 PolarHBondContact O-N 2.9Å; F111-M114 HydrophobicContact CD2-CE 3.46Å; F111-M114 VanDerWaalsContact CD2-CE 3.46Å; F111-M114 HydrophobicContact CE2-CE 3.55Å; F111-M114 HydrophobicContact CG-CE 4.49Å; F111-M114 PolarHBondContact O-N 3.07Å; V112-M114 VanDerWaalsContact C-N 3.33Å; V112-M114 PolarHBondContact O-N 3.36Å; M114-Y116 VanDerWaalsContact C-N 3.3Å; M114-Y116 PolarHBondContact O-N 2.81Å; M114-D118 CarbonylContact O-C 3.37Å; M114-L119 HydrophobicContact CE-CD1 4.21Å; M114-L119 HydrophobicContact CG-CD1 3.83Å; M114-L119 WeakPolarHBondContact O-CA 3.33Å; M114-L119 PolarHBondContact O-N 2.85Å; M114-L119 HydrophobicContact SD-CD1 4.13Å; M114-L122 HydrophobicContact CB-CB 4.21Å; M114-L122 HydrophobicContact CG-CB 4Å; M114-K123 HydrophobicContact SD-CB 4Å; M114-Y126 HydrophobicContact CE-CD1 3.91Å; M114-Y126 HydrophobicContact CE-CD2 4.42Å; M114-Y126 HydrophobicContact CE-CE1 4.17Å; M114-Y126 HydrophobicContact CE-CG 4.06Å; M114-Y126 HydrophobicContact SD-CD1 3.91Å; M114-Y126 HydrophobicContact SD-CD2 4.23Å; M114-Y126 HydrophobicContact SD-CG 3.63Å; M114-F169 HydrophobicContact CE-CD1 4.34Å; M114-F169 HydrophobicContact CE-CE1 3.56Å; M114-F169 HydrophobicContact CE-CE2 3.85Å; M114-F169 HydrophobicContact CE-CZ 3.27Å; M114-F169 HydrophobicContact SD-CE1 4.24Å; M114-F169 HydrophobicContact SD-CZ 3.88Å
115C97.9Very high97.7Very high0 Ų058.3 Ų58.30%032%0.318CS..Hα-helixtrans-66.2-25.4-176.6-670000114.9F111 V112 R113 Q213F111-C115 PolarHBondContact O-N 3.08Å; F111-C115 PolarHBondContact O-SG 2.94Å; F111-C115 VanDerWaalsContact O-SG 3.36Å; V112-C115 PolarHBondContact O-N 3.32Å; R113-C115 PolarHBondContact O-N 3.03Å; C115-Q213 PolarHBondContact O-N 3.42Å
116Y97.6Very high97.7Very high78 Ų7857 Ų5731%0.30631%0.31SS..Hα-helixtrans-107.3-25.7-175.3-79.7-94.6000114.6V112 R113 M114 N208 N209 M211 A212V112-Y116 HydrophobicContact CG1-CD2 3.85Å; V112-Y116 HydrophobicContact CG1-CE2 4.09Å; V112-Y116 WeakPolarHBondContact O-CD2 3.2Å; V112-Y116 PolarHBondContact O-N 3.06Å; V112-Y116 VanDerWaalsContact O-N 3.08Å; R113-Y116 PolarHBondContact O-N 3.31Å; M114-Y116 VanDerWaalsContact C-N 3.3Å; M114-Y116 PolarHBondContact O-N 2.81Å; Y116-N208 HydrophobicContact CE2-CB 4.01Å; Y116-N208 WeakPolarHBondContact CE2-OD1 3.46Å; Y116-N209 WeakPolarHBondContact OH-CB 3.42Å; Y116-N209 PolarHBondContact OH-N 2.86Å; Y116-M211 HydrophobicContact CD1-CB 4.36Å; Y116-M211 HydrophobicContact CE1-CB 4.25Å; Y116-M211 HydrophobicContact CE1-CE 4.26Å; Y116-A212 HydrophobicContact CD1-CB 4.02Å; Y116-A212 HydrophobicContact CD2-CB 4.09Å; Y116-A212 HydrophobicContact CE1-CB 3.79Å; Y116-A212 HydrophobicContact CE2-CB 3.88Å; Y116-A212 HydrophobicContact CG-CB 4.19Å
117V97.1Very high97.7Very high90 Ų9054.2 Ų54.255%0.54530%0.295SS..Hα-helixtrans-94-61.4-175.5179.90000110.7R113 Q213R113-V117 HydrophobicContact CG-CG2 4.02Å; R113-V117 VanDerWaalsContact O-CB 3.25Å; R113-V117 WeakPolarHBondContact O-CB 3.43Å; R113-V117 WeakPolarHBondContact O-CG2 3.41Å; R113-V117 PolarHBondContact O-N 2.83Å; V117-Q213 PolarHBondContact O-NE2 3.41Å
118D96.8Very high97.7Very high70 Ų7061.1 Ų61.137%0.37432%0.324SS..  trans-158.390.2-174.3-179.810.6000109.3M114 G121 L122M114-D118 CarbonylContact O-C 3.37Å; D118-G121 PolarHBondContact OD1-N 3.12Å; D118-G121 WeakPolarHBondContact OD2-CA 3.45Å; D118-L122 HydrophobicContact CB-CD1 4.24Å; D118-L122 HydrophobicContact CB-CG 4.29Å; D118-L122 WeakPolarHBondContact O-CB 3.32Å; D118-L122 WeakPolarHBondContact O-CD1 3.19Å; D118-L122 VanDerWaalsContact O-CG 3.24Å; D118-L122 WeakPolarHBondContact O-CG 3.32Å; D118-L122 PolarHBondContact O-N 2.79Å; D118-L122 VanDerWaalsContact O-N 3.16Å
119L97.6Very high97.7Very high11 Ų1163.1 Ų63.16%0.05834%0.343CS..Hα-helixtrans-66.4-48.8-177.617765.4000110.5M114 K123 F169 Q213 W214M114-L119 HydrophobicContact CE-CD1 4.21Å; M114-L119 HydrophobicContact CG-CD1 3.83Å; M114-L119 WeakPolarHBondContact O-CA 3.33Å; M114-L119 PolarHBondContact O-N 2.85Å; M114-L119 HydrophobicContact SD-CD1 4.13Å; L119-K123 HydrophobicContact CD1-CB 4.48Å; L119-K123 HydrophobicContact CD1-CD 4.49Å; L119-K123 WeakPolarHBondContact O-CB 3.41Å; L119-K123 PolarHBondContact O-N 3.18Å; L119-F169 HydrophobicContact CD1-CE2 3.93Å; L119-F169 HydrophobicContact CD1-CZ 4.06Å; L119-Q213 HydrophobicContact CB-CB 3.81Å; L119-Q213 HydrophobicContact CD2-CB 4.05Å; L119-W214 HydrophobicContact CD1-CB 4.45Å; L119-W214 HydrophobicContact CD2-CB 3.9Å
120E97.3Very high97.8Very high140 Ų14060.5 Ų60.565%0.65432%0.321SS*.Hα-helixtrans-66.9-41-174.3-65.3-57.313300111.8P124E120-P124 WeakPolarHBondContact O-CD 3.42Å
121G98.2Very high97.8Very high43 Ų4360.8 Ų60.844%0.44332%0.321SS..Hα-helixtrans-73.8-33.4179.200000114.3D118D118-G121 PolarHBondContact OD1-N 3.12Å; D118-G121 WeakPolarHBondContact OD2-CA 3.45Å
122L98.1Very high97.8Very high42 Ų4267.8 Ų67.822%0.2235%0.354CS..Hα-helixtrans-96-21.1-174.6-60.3170.9000113.9M114 D118 D125 Y126M114-L122 HydrophobicContact CB-CB 4.21Å; M114-L122 HydrophobicContact CG-CB 4Å; D118-L122 HydrophobicContact CB-CD1 4.24Å; D118-L122 HydrophobicContact CB-CG 4.29Å; D118-L122 WeakPolarHBondContact O-CB 3.32Å; D118-L122 WeakPolarHBondContact O-CD1 3.19Å; D118-L122 VanDerWaalsContact O-CG 3.24Å; D118-L122 WeakPolarHBondContact O-CG 3.32Å; D118-L122 PolarHBondContact O-N 2.79Å; D118-L122 VanDerWaalsContact O-N 3.16Å; L122-D125 PolarHBondContact O-N 3.35Å; L122-Y126 WeakPolarHBondContact O-CB 3.47Å; L122-Y126 PolarHBondContact O-N 2.96Å
123K98.3Very high97.8Very high71 Ų7167.3 Ų67.331%0.30935%0.354SS..Hα-helixtrans-58.7-40.8-177.6176.9176.7-176.1-175.50114.4M114 L119 Y126 L127 F169M114-K123 HydrophobicContact SD-CB 4Å; L119-K123 HydrophobicContact CD1-CB 4.48Å; L119-K123 HydrophobicContact CD1-CD 4.49Å; L119-K123 WeakPolarHBondContact O-CB 3.41Å; L119-K123 PolarHBondContact O-N 3.18Å; K123-Y126 PolarHBondContact O-N 3.38Å; K123-L127 HydrophobicContact CD-CD1 4.49Å; K123-L127 HydrophobicContact CG-CD1 3.79Å; K123-L127 HydrophobicContact CG-CG 4.1Å; K123-L127 WeakPolarHBondContact O-CB 3.32Å; K123-L127 WeakPolarHBondContact O-CG 3.31Å; K123-L127 PolarHBondContact O-N 3.02Å; K123-F169 HydrophobicContact CD-CZ 3.94Å; K123-F169 HydrophobicContact CG-CE1 4.42Å; K123-F169 HydrophobicContact CG-CZ 3.94Å
124P98.4Very high97.9Very high81 Ų8160.5 Ų60.553%0.52633%0.328SS..Hα-helixtrans-58.9-49.3178.8-2635.8000112.9E120 L127 K128E120-P124 WeakPolarHBondContact O-CD 3.42Å; P124-L127 PolarHBondContact O-N 3.15Å; P124-K128 WeakPolarHBondContact O-CB 3.23Å; P124-K128 PolarHBondContact O-N 2.76Å
125D97.8Very high98Very high114 Ų11465.5 Ų65.561%0.6135%0.35SS*.Hα-helixtrans-68.8-38.1179.5-73.6-23000111.8L122 K128 A129L122-D125 PolarHBondContact O-N 3.35Å; D125-K128 PolarHBondContact O-N 2.95Å; D125-A129 PolarHBondContact O-N 2.73Å
126Y98.2Very high98Very high17 Ų1770.6 Ų70.67%0.06738%0.377CS..Hα-helixtrans-59.6-49.1174.5-176.3-88.4000111.5L107 F111 M114 L122 K123 K128 A129 L130 Q166 F169L107-Y126 HydrophobicContact CD1-CE2 4.32Å; F111-Y126 HydrophobicContact CB-CE2 4.11Å; F111-Y126 AromaticContact CD2-CE1 3.96Å; F111-Y126 HydrophobicContact CD2-CE1 3.96Å; F111-Y126 HydrophobicContact CD2-CE2 4.26Å; F111-Y126 AromaticContact CD2-CZ 3.64Å; F111-Y126 WeakPolarHBondContact CD2-OH 3.42Å; M114-Y126 HydrophobicContact CE-CD1 3.91Å; M114-Y126 HydrophobicContact CE-CD2 4.42Å; M114-Y126 HydrophobicContact CE-CE1 4.17Å; M114-Y126 HydrophobicContact CE-CG 4.06Å; M114-Y126 HydrophobicContact SD-CD1 3.91Å; M114-Y126 HydrophobicContact SD-CD2 4.23Å; M114-Y126 HydrophobicContact SD-CG 3.63Å; L122-Y126 WeakPolarHBondContact O-CB 3.47Å; L122-Y126 PolarHBondContact O-N 2.96Å; K123-Y126 PolarHBondContact O-N 3.38Å; Y126-K128 VanDerWaalsContact C-N 3.29Å; Y126-K128 PolarHBondContact O-N 2.79Å; Y126-A129 PolarHBondContact O-N 2.92Å; Y126-L130 HydrophobicContact CE1-CB 4.44Å; Y126-L130 HydrophobicContact CE1-CD1 4.24Å; Y126-L130 HydrophobicContact CE1-CD2 4.21Å; Y126-L130 WeakPolarHBondContact O-CB 3.5Å; Y126-L130 PolarHBondContact O-N 3.02Å; Y126-Q166 PolarHBondContact OH-NE2 2.71Å; Y126-Q166 PolarHBondContact OH-OE1 2.89Å; Y126-F169 HydrophobicContact CD1-CE1 4.12Å; Y126-F169 HydrophobicContact CE1-CD1 4.41Å; Y126-F169 HydrophobicContact CE1-CE1 4.28Å
127L98.1Very high98.1Very high43 Ų4367.1 Ų67.123%0.22536%0.363CS..Hα-helixtrans-68.1-28.4179.2-70-178.5000112.8K123 P124 L130 P131 F169 H170K123-L127 HydrophobicContact CD-CD1 4.49Å; K123-L127 HydrophobicContact CG-CD1 3.79Å; K123-L127 HydrophobicContact CG-CG 4.1Å; K123-L127 WeakPolarHBondContact O-CB 3.32Å; K123-L127 WeakPolarHBondContact O-CG 3.31Å; K123-L127 PolarHBondContact O-N 3.02Å; P124-L127 PolarHBondContact O-N 3.15Å; L127-L130 HydrophobicContact CD2-CD2 4.22Å; L127-P131 VanDerWaalsContact O-CD 3.23Å; L127-P131 WeakPolarHBondContact O-CD 3.29Å; L127-F169 HydrophobicContact CD2-CD1 4.16Å; L127-F169 HydrophobicContact CD2-CE1 3.77Å; L127-F169 HydrophobicContact CG-CE1 4.34Å; L127-H170 HydrophobicContact CD2-CB 3.85Å
128K98Very high98.1Very high166 Ų16663.5 Ų63.572%0.72234%0.342SS*.Hα-helixtrans-67.7-39.6172.2-175.7-179.7175.6-175.30112.1P124 D125 Y126P124-K128 WeakPolarHBondContact O-CB 3.23Å; P124-K128 PolarHBondContact O-N 2.76Å; D125-K128 PolarHBondContact O-N 2.95Å; Y126-K128 VanDerWaalsContact C-N 3.29Å; Y126-K128 PolarHBondContact O-N 2.79Å
129A97.8Very high98.2Very high54 Ų5464.4 Ų64.445%0.44635%0.347SS..Hα-helixtrans-83-25-179.600000113.9D125 Y126 E132 A133D125-A129 PolarHBondContact O-N 2.73Å; Y126-A129 PolarHBondContact O-N 2.92Å; A129-E132 PolarHBondContact O-N 3.13Å; A129-E132 VanDerWaalsContact O-N 3.16Å; A129-A133 PolarHBondContact O-N 3.3Å
130L98.3Very high98.3Very high4 Ų466.8 Ų66.82%0.02136%0.357CS..Hα-helixtrans-55.4-43.9-174.3-179.764000114.1Y126 L127 E132 A133 L134 Q166 C173Y126-L130 HydrophobicContact CE1-CB 4.44Å; Y126-L130 HydrophobicContact CE1-CD1 4.24Å; Y126-L130 HydrophobicContact CE1-CD2 4.21Å; Y126-L130 WeakPolarHBondContact O-CB 3.5Å; Y126-L130 PolarHBondContact O-N 3.02Å; L127-L130 HydrophobicContact CD2-CD2 4.22Å; L130-E132 VanDerWaalsContact C-N 3.3Å; L130-E132 PolarHBondContact O-N 3.35Å; L130-A133 PolarHBondContact O-N 3.33Å; L130-L134 HydrophobicContact CD1-CD1 3.99Å; L130-L134 HydrophobicContact CD1-CD2 4.38Å; L130-L134 HydrophobicContact CD1-CG 3.9Å; L130-L134 HydrophobicContact CD2-CD1 4.35Å; L130-L134 HydrophobicContact CG-CD1 3.78Å; L130-L134 HydrophobicContact CG-CG 4.15Å; L130-L134 WeakPolarHBondContact O-CB 3.32Å; L130-L134 VanDerWaalsContact O-CG 3.32Å; L130-L134 WeakPolarHBondContact O-CG 3.39Å; L130-L134 PolarHBondContact O-N 3.33Å; L130-Q166 HydrophobicContact CD1-CG 4.22Å; L130-C173 HydrophobicContact CD2-CB 3.84Å
131P98.5Very high98.4Very high67 Ų6760.3 Ų60.344%0.43533%0.327SS..Hα-helixtrans-60-37.3178.5-25.335.3000113.5L127 L134 K135 F177L127-P131 VanDerWaalsContact O-CD 3.23Å; L127-P131 WeakPolarHBondContact O-CD 3.29Å; P131-L134 PolarHBondContact O-N 2.91Å; P131-K135 WeakPolarHBondContact O-CB 3.47Å; P131-K135 PolarHBondContact O-N 3.08Å; P131-F177 WeakPolarHBondContact O-CZ 3.38Å
132E97.9Very high98.4Very high148 Ų14859.3 Ų59.369%0.69232%0.316SS*.Hα-helixtrans-67.9-43.9177.8-65.6-178.2178.700110.8A129 L130 L134 K135 L136A129-E132 PolarHBondContact O-N 3.13Å; A129-E132 VanDerWaalsContact O-N 3.16Å; L130-E132 VanDerWaalsContact C-N 3.3Å; L130-E132 PolarHBondContact O-N 3.35Å; E132-L134 PolarHBondContact O-N 3.03Å; E132-K135 WeakPolarHBondContact O-CB 3.47Å; E132-K135 PolarHBondContact O-N 3.28Å; E132-L136 WeakPolarHBondContact O-CG 3.42Å; E132-L136 PolarHBondContact O-N 2.86Å; E132-L136 VanDerWaalsContact O-N 3.13Å
133A98Very high98.4Very high27 Ų2766.5 Ų66.522%0.22335%0.349CS..Hα-helixtrans-61.1-45174.800000112.1A129 L130 K135 L136 F137A129-A133 PolarHBondContact O-N 3.3Å; L130-A133 PolarHBondContact O-N 3.33Å; A133-K135 VanDerWaalsContact C-N 3.32Å; A133-K135 PolarHBondContact O-N 3.4Å; A133-L136 WeakPolarHBondContact O-CB 3.36Å; A133-L136 PolarHBondContact O-N 2.85Å; A133-F137 WeakPolarHBondContact O-CD2 3.27Å; A133-F137 PolarHBondContact O-N 3.28Å
134L98.7Very high98.4Very high1 Ų167.2 Ų67.21%0.00535%0.349CS..Hα-helixtrans-65.1-35.6177.2-69.4174.7000112.2L130 P131 E132 L136 F137 S138 L163 C173 L174 F177L130-L134 HydrophobicContact CD1-CD1 3.99Å; L130-L134 HydrophobicContact CD1-CD2 4.38Å; L130-L134 HydrophobicContact CD1-CG 3.9Å; L130-L134 HydrophobicContact CD2-CD1 4.35Å; L130-L134 HydrophobicContact CG-CD1 3.78Å; L130-L134 HydrophobicContact CG-CG 4.15Å; L130-L134 WeakPolarHBondContact O-CB 3.32Å; L130-L134 VanDerWaalsContact O-CG 3.32Å; L130-L134 WeakPolarHBondContact O-CG 3.39Å; L130-L134 PolarHBondContact O-N 3.33Å; P131-L134 PolarHBondContact O-N 2.91Å; E132-L134 PolarHBondContact O-N 3.03Å; L134-L136 VanDerWaalsContact C-N 3.33Å; L134-L136 PolarHBondContact O-N 3.1Å; L134-F137 PolarHBondContact O-N 3.09Å; L134-S138 WeakPolarHBondContact O-CB 3.4Å; L134-S138 PolarHBondContact O-N 3.32Å; L134-L163 HydrophobicContact CD2-CD2 3.66Å; L134-C173 HydrophobicContact CD1-CB 3.87Å; L134-C173 VanDerWaalsContact CD1-O 3.26Å; L134-C173 WeakPolarHBondContact CD1-O 3.23Å; L134-L174 HydrophobicContact CD1-CD2 4.01Å; L134-L174 HydrophobicContact CD2-CD2 4Å; L134-F177 HydrophobicContact CB-CD2 3.93Å; L134-F177 HydrophobicContact CB-CE2 3.49Å; L134-F177 VanDerWaalsContact CB-CE2 3.49Å; L134-F177 HydrophobicContact CB-CZ 3.92Å; L134-F177 HydrophobicContact CD1-CD2 4.42Å; L134-F177 HydrophobicContact CD1-CE2 4.11Å; L134-F177 HydrophobicContact CG-CE2 4.47Å
135K98.8Very high98.4Very high108 Ų10868.3 Ų68.347%0.4735%0.346SS..Hα-helixtrans-60.3-42.4173.2-173.7-177.8180-61.40111.4P131 E132 A133 F137 S138 D139 F177P131-K135 WeakPolarHBondContact O-CB 3.47Å; P131-K135 PolarHBondContact O-N 3.08Å; E132-K135 WeakPolarHBondContact O-CB 3.47Å; E132-K135 PolarHBondContact O-N 3.28Å; A133-K135 VanDerWaalsContact C-N 3.32Å; A133-K135 PolarHBondContact O-N 3.4Å; K135-F137 PolarHBondContact O-N 3.48Å; K135-S138 WeakPolarHBondContact O-CB 3.42Å; K135-S138 PolarHBondContact O-N 3.47Å; K135-D139 IonicContact NZ-OD1 3.89Å; K135-D139 IonicContact NZ-OD2 3.84Å; K135-D139 PolarHBondContact NZ-OD2 2.9Å; K135-D139 WeakPolarHBondContact O-CB 3.37Å; K135-D139 PolarHBondContact O-N 2.93Å; K135-F177 HydrophobicContact CB-CE1 3.8Å; K135-F177 HydrophobicContact CB-CZ 4.11Å; K135-F177 HydrophobicContact CG-CE1 4.3Å
136L98.8Very high98.4Very high107 Ų10763.4 Ų63.456%0.5632%0.319SS*.Hα-helixtrans-60.5-43.9176.9-64.3174.3000112E132 A133 L134 D139 F140E132-L136 WeakPolarHBondContact O-CG 3.42Å; E132-L136 PolarHBondContact O-N 2.86Å; E132-L136 VanDerWaalsContact O-N 3.13Å; A133-L136 WeakPolarHBondContact O-CB 3.36Å; A133-L136 PolarHBondContact O-N 2.85Å; L134-L136 VanDerWaalsContact C-N 3.33Å; L134-L136 PolarHBondContact O-N 3.1Å; L136-D139 PolarHBondContact O-N 3.42Å; L136-F140 WeakPolarHBondContact O-CB 3.46Å; L136-F140 PolarHBondContact O-N 3.13Å
137F98.8Very high98.5Very high6 Ų662.6 Ų62.63%0.02632%0.315CS..Hα-helixtrans-66.6-39.6175.5-66.5-62.8000112.7L100 Q103 L107 A133 L134 K135 F140 L141 M159L100-F137 HydrophobicContact CD1-CD1 3.7Å; L100-F137 HydrophobicContact CD1-CE1 3.81Å; Q103-F137 HydrophobicContact CB-CE1 4.17Å; Q103-F137 HydrophobicContact CB-CZ 4.45Å; Q103-F137 HydrophobicContact CG-CE1 3.74Å; Q103-F137 HydrophobicContact CG-CZ 3.79Å; L107-F137 HydrophobicContact CD2-CE2 3.74Å; L107-F137 HydrophobicContact CD2-CZ 4.43Å; A133-F137 WeakPolarHBondContact O-CD2 3.27Å; A133-F137 PolarHBondContact O-N 3.28Å; L134-F137 PolarHBondContact O-N 3.09Å; K135-F137 PolarHBondContact O-N 3.48Å; F137-F140 PolarHBondContact O-N 3.1Å; F137-L141 WeakPolarHBondContact O-CB 3.22Å; F137-L141 PolarHBondContact O-N 3.31Å; F137-M159 HydrophobicContact CB-CE 4.14Å; F137-M159 HydrophobicContact CD1-CE 3.45Å; F137-M159 VanDerWaalsContact CD1-CE 3.45Å; F137-M159 HydrophobicContact CD1-SD 4.06Å; F137-M159 HydrophobicContact CD2-CE 4.15Å; F137-M159 HydrophobicContact CE1-CE 3.78Å; F137-M159 HydrophobicContact CE1-SD 3.94Å; F137-M159 HydrophobicContact CE2-CE 4.44Å; F137-M159 HydrophobicContact CG-CE 3.65Å; F137-M159 HydrophobicContact CZ-CE 4.27Å
138S98.9Very high98.5Very high14 Ų1460.6 Ų60.610%0.09831%0.305CS..Hα-helixtrans-59.8-49.4174.6167.40000111.3L134 K135 F140 L141 G142 N179L134-S138 WeakPolarHBondContact O-CB 3.4Å; L134-S138 PolarHBondContact O-N 3.32Å; K135-S138 WeakPolarHBondContact O-CB 3.42Å; K135-S138 PolarHBondContact O-N 3.47Å; S138-F140 VanDerWaalsContact C-N 3.31Å; S138-F140 PolarHBondContact O-N 3.32Å; S138-L141 PolarHBondContact O-N 3.37Å; S138-G142 PolarHBondContact O-N 3.3Å; S138-N179 PolarHBondContact O-ND2 2.9Å; S138-N179 PolarHBondContact OG-ND2 3.27Å; S138-N179 PolarHBondContact OG-OD1 3.48Å
139D98.8Very high98.5Very high89 Ų8953 Ų5348%0.47627%0.274SS..Hα-helixtrans-64.8-39.4179.5-67.5-14.4000110.9K135 L136 G142K135-D139 IonicContact NZ-OD1 3.89Å; K135-D139 IonicContact NZ-OD2 3.84Å; K135-D139 PolarHBondContact NZ-OD2 2.9Å; K135-D139 WeakPolarHBondContact O-CB 3.37Å; K135-D139 PolarHBondContact O-N 2.93Å; L136-D139 PolarHBondContact O-N 3.42Å; D139-G142 PolarHBondContact O-N 3.18Å
140F98.8Very high98.5Very high61 Ų6156.5 Ų56.527%0.26829%0.286SS..Hα-helixtrans-65.6-43.1177.8-173.5-99.4000112.6R96 L100 L136 F137 S138 R144 F147R96-F140 HydrophobicContact CB-CE1 4.32Å; R96-F140 HydrophobicContact CB-CZ 3.79Å; R96-F140 HydrophobicContact CG-CE2 4.41Å; R96-F140 HydrophobicContact CG-CZ 3.77Å; L100-F140 HydrophobicContact CB-CE1 4.14Å; L100-F140 HydrophobicContact CD1-CD1 4.07Å; L100-F140 HydrophobicContact CD1-CE1 4.12Å; L100-F140 HydrophobicContact CD2-CE1 4.31Å; L100-F140 HydrophobicContact CG-CE1 4.47Å; L136-F140 WeakPolarHBondContact O-CB 3.46Å; L136-F140 PolarHBondContact O-N 3.13Å; F137-F140 PolarHBondContact O-N 3.1Å; S138-F140 VanDerWaalsContact C-N 3.31Å; S138-F140 PolarHBondContact O-N 3.32Å; F140-R144 PolarHBondContact O-NH1 2.65Å; F140-F147 AromaticContact CD1-CD1 3.96Å; F140-F147 HydrophobicContact CD1-CD1 3.96Å; F140-F147 HydrophobicContact CD1-CE1 4.48Å; F140-F147 HydrophobicContact CE1-CD1 4.39Å
141L98.9Very high98.5Very high4 Ų462.3 Ų62.32%0.02131%0.31CS..Hα-helixtrans-61.1-47171.6178.963000110.4F137 S138 Q143 R144 F147 N179 L180 F183F137-L141 WeakPolarHBondContact O-CB 3.22Å; F137-L141 PolarHBondContact O-N 3.31Å; S138-L141 PolarHBondContact O-N 3.37Å; L141-Q143 PolarHBondContact O-N 3.42Å; L141-R144 HydrophobicContact CD1-CB 4.46Å; L141-R144 WeakPolarHBondContact O-CB 3.44Å; L141-R144 PolarHBondContact O-N 3.44Å; L141-R144 VanDerWaalsContact O-N 3.13Å; L141-R144 PolarHBondContact O-NH1 2.92Å; L141-F147 HydrophobicContact CB-CD1 4.19Å; L141-F147 HydrophobicContact CB-CE1 3.85Å; L141-F147 HydrophobicContact CB-CZ 4.24Å; L141-F147 HydrophobicContact CD1-CD1 4.25Å; L141-F147 HydrophobicContact CD1-CD2 4.23Å; L141-F147 HydrophobicContact CD1-CE1 4.46Å; L141-F147 HydrophobicContact CD1-CE2 4.41Å; L141-F147 HydrophobicContact CD1-CG 4.15Å; L141-F147 HydrophobicContact CD2-CZ 4.46Å; L141-N179 HydrophobicContact CD2-CB 4.28Å; L141-L180 HydrophobicContact CD2-CD2 3.99Å; L141-F183 HydrophobicContact CD2-CB 3.95Å
142G98.5Very high98.5Very high21 Ų2159.8 Ų59.822%0.21629%0.293CS..THydrogen-bonded Turntrans59.1-123.1-179.600000111.3S138 D139 N179S138-G142 PolarHBondContact O-N 3.3Å; D139-G142 PolarHBondContact O-N 3.18Å; G142-N179 PolarHBondContact O-ND2 2.92Å
143Q98.1Very high98.5Very high194 Ų19452.9 Ų52.991%0.90726%0.261SS*.THydrogen-bonded Turntrans-99.33.9178.8-58.6-58.1-35.600113.6L141L141-Q143 PolarHBondContact O-N 3.42Å
144R98.4Very high98.6Very high86 Ų8651.7 Ų51.733%0.32525%0.251SS..  trans-71.5151.7-177.5-60.7177.6-16884.6-2.2110.6F140 L141 W146F140-R144 PolarHBondContact O-NH1 2.65Å; L141-R144 HydrophobicContact CD1-CB 4.46Å; L141-R144 WeakPolarHBondContact O-CB 3.44Å; L141-R144 PolarHBondContact O-N 3.44Å; L141-R144 VanDerWaalsContact O-N 3.13Å; L141-R144 PolarHBondContact O-NH1 2.92Å; R144-W146 WeakPolarHBondContact CB-O 3.23Å
145K98.3Very high98.6Very high103 Ų10351.7 Ų51.745%0.44825%0.251SS..SBendtrans-68.3-41.9175.7-174.4179.6178.2178.50111.9
146W98.9Very high98.6Very high11 Ų1146.6 Ų46.64%0.04223%0.229CC..SBendtrans-129.9162.6178.4-57.9112.6000109.2R144 A148 G149 D150 K151 L152 D156 F183 R186 F187 L190R144-W146 WeakPolarHBondContact CB-O 3.23Å; W146-A148 VanDerWaalsContact C-N 3.3Å; W146-A148 PolarHBondContact O-N 3.05Å; W146-G149 CarbonylContact C-O 3.56Å; W146-G149 WeakPolarHBondContact CA-O 3.22Å; W146-G149 WeakPolarHBondContact CB-O 3.45Å; W146-G149 PolarHBondContact N-O 3.23Å; W146-G149 PolarHBondContact O-N 2.94Å; W146-G149 VanDerWaalsContact O-N 3.11Å; W146-D150 VanDerWaalsContact CD1-O 3.28Å; W146-K151 WeakPolarHBondContact CB-O 3.17Å; W146-L152 VanDerWaalsContact CD1-N 3.26Å; W146-L152 HydrophobicContact CD2-CB 4.25Å; W146-L152 HydrophobicContact CD2-CD1 3.64Å; W146-L152 HydrophobicContact CE3-CD1 3.46Å; W146-L152 VanDerWaalsContact CE3-CD1 3.46Å; W146-L152 HydrophobicContact CG-CB 4.43Å; W146-L152 HydrophobicContact CG-CD1 4.41Å; W146-L152 HydrophobicContact CH2-CD1 3.77Å; W146-L152 HydrophobicContact CZ2-CB 4.42Å; W146-L152 HydrophobicContact CZ2-CD1 3.93Å; W146-L152 HydrophobicContact CZ3-CD1 3.54Å; W146-D156 WeakPolarHBondContact CB-OD1 3.46Å; W146-D156 HydrophobicContact CE3-CB 4.17Å; W146-F183 HydrophobicContact CE3-CD2 4.1Å; W146-F183 AromaticContact CE3-CE2 3.85Å; W146-F183 HydrophobicContact CE3-CE2 3.85Å; W146-F183 HydrophobicContact CZ3-CD2 4.28Å; W146-F183 HydrophobicContact CZ3-CE2 4.06Å; W146-R186 HydrophobicContact CH2-CB 4.44Å; W146-R186 HydrophobicContact CH2-CG 3.76Å; W146-R186 HydrophobicContact CZ2-CG 4.05Å; W146-R186 HydrophobicContact CZ3-CG 4.39Å; W146-F187 HydrophobicContact CZ3-CB 4.16Å; W146-F187 AromaticContact CZ3-CD2 3.94Å; W146-F187 HydrophobicContact CZ3-CD2 3.94Å; W146-L190 HydrophobicContact CH2-CD1 3.94Å; W146-L190 HydrophobicContact CH2-CD2 4.16Å; W146-L190 HydrophobicContact CH2-CG 4.21Å; W146-L190 HydrophobicContact CZ2-CD2 4.11Å
147F98.8Very high98.6Very high0 Ų041.5 Ų41.50%020%0.202CC..SBendtrans-63-34.6-171.4-86.8-85.6000113.8L100 F140 L141 D156 M159 L180 F183L100-F147 HydrophobicContact CD1-CD1 3.88Å; L100-F147 HydrophobicContact CD1-CE1 4.06Å; L100-F147 HydrophobicContact CD2-CB 3.32Å; L100-F147 HydrophobicContact CD2-CD1 3.43Å; L100-F147 VanDerWaalsContact CD2-CD1 3.43Å; L100-F147 HydrophobicContact CD2-CD2 4.25Å; L100-F147 HydrophobicContact CD2-CE1 4.28Å; L100-F147 HydrophobicContact CD2-CG 3.41Å; L100-F147 VanDerWaalsContact CD2-CG 3.41Å; L100-F147 HydrophobicContact CG-CD1 4.32Å; F140-F147 AromaticContact CD1-CD1 3.96Å; F140-F147 HydrophobicContact CD1-CD1 3.96Å; F140-F147 HydrophobicContact CD1-CE1 4.48Å; F140-F147 HydrophobicContact CE1-CD1 4.39Å; L141-F147 HydrophobicContact CB-CD1 4.19Å; L141-F147 HydrophobicContact CB-CE1 3.85Å; L141-F147 HydrophobicContact CB-CZ 4.24Å; L141-F147 HydrophobicContact CD1-CD1 4.25Å; L141-F147 HydrophobicContact CD1-CD2 4.23Å; L141-F147 HydrophobicContact CD1-CE1 4.46Å; L141-F147 HydrophobicContact CD1-CE2 4.41Å; L141-F147 HydrophobicContact CD1-CG 4.15Å; L141-F147 HydrophobicContact CD2-CZ 4.46Å; F147-D156 PolarHBondContact N-OD1 3.06Å; F147-M159 HydrophobicContact CD1-CG 4.35Å; F147-M159 HydrophobicContact CD2-CB 3.88Å; F147-M159 HydrophobicContact CD2-CG 3.86Å; F147-M159 HydrophobicContact CE1-CE 4.3Å; F147-M159 HydrophobicContact CE1-CG 4.2Å; F147-M159 HydrophobicContact CE2-CB 3.5Å; F147-M159 HydrophobicContact CE2-CG 3.69Å; F147-M159 HydrophobicContact CG-CG 4.19Å; F147-M159 HydrophobicContact CZ-CB 4.02Å; F147-M159 HydrophobicContact CZ-CE 3.9Å; F147-M159 HydrophobicContact CZ-CG 3.87Å; F147-L180 HydrophobicContact CZ-CD2 4.12Å; F147-F183 HydrophobicContact CD2-CD2 4.06Å; F147-F183 AromaticContact CD2-CE2 3.63Å; F147-F183 HydrophobicContact CD2-CE2 3.63Å; F147-F183 AromaticContact CD2-CZ 3.93Å; F147-F183 HydrophobicContact CD2-CZ 3.93Å; F147-F183 HydrophobicContact CE2-CD1 4.04Å; F147-F183 AromaticContact CE2-CD2 3.86Å; F147-F183 HydrophobicContact CE2-CD2 3.86Å; F147-F183 AromaticContact CE2-CE1 3.86Å; F147-F183 HydrophobicContact CE2-CE1 3.86Å; F147-F183 AromaticContact CE2-CE2 3.65Å; F147-F183 HydrophobicContact CE2-CE2 3.65Å; F147-F183 HydrophobicContact CE2-CG 4.05Å; F147-F183 AromaticContact CE2-CZ 3.66Å; F147-F183 HydrophobicContact CE2-CZ 3.66Å
148A98.5Very high98.6Very high1 Ų141.4 Ų41.41%0.00820%0.202CC..SBendtrans-80-26.6176.700000113.1Q93 R96 I97 W146 T153Q93-A148 HydrophobicContact CB-CB 4.36Å; R96-A148 PolarHBondContact NH1-O 3.23Å; I97-A148 HydrophobicContact CD1-CB 4.07Å; I97-A148 HydrophobicContact CG1-CB 3.83Å; W146-A148 VanDerWaalsContact C-N 3.3Å; W146-A148 PolarHBondContact O-N 3.05Å; A148-T153 HydrophobicContact CB-CG2 3.72Å
149G98.1Very high98.6Very high7 Ų740.8 Ų40.87%0.07220%0.198CC..SBendtrans158.6-136.8-170.100000113.1W146W146-G149 CarbonylContact C-O 3.56Å; W146-G149 WeakPolarHBondContact CA-O 3.22Å; W146-G149 WeakPolarHBondContact CB-O 3.45Å; W146-G149 PolarHBondContact N-O 3.23Å; W146-G149 PolarHBondContact O-N 2.94Å; W146-G149 VanDerWaalsContact O-N 3.11Å
150D97.4Very high98.6Very high128 Ų12836.6 Ų36.668%0.68418%0.175SC*.SBendtrans-89.7-14.5-177-61.4-44.6000114.2W146W146-D150 VanDerWaalsContact CD1-O 3.28Å
151K98.2Very high98.5Very high125 Ų12533.7 Ų33.754%0.54316%0.162SC..SBendtrans-105.3143.1178-64.7-176.7-176.4175.60111.1D89 W146D89-K151 IonicContact OD2-NZ 2.57Å; D89-K151 PolarHBondContact OD2-NZ 3.12Å; W146-K151 WeakPolarHBondContact CB-O 3.17Å
152L98.8Very high98.5Very high15 Ų1533.6 Ų33.68%0.07916%0.162CC..  trans-66.2139.9174-175.274000109.5Y23 L86 W146 D156 F157 F187 L190Y23-L152 HydrophobicContact CD1-CD2 4.28Å; Y23-L152 HydrophobicContact CD2-CD2 4.27Å; Y23-L152 HydrophobicContact CE1-CD2 3.72Å; Y23-L152 HydrophobicContact CE2-CD2 3.72Å; Y23-L152 VanDerWaalsContact CZ-CD2 3.41Å; L86-L152 WeakPolarHBondContact CD2-O 3.29Å; W146-L152 VanDerWaalsContact CD1-N 3.26Å; W146-L152 HydrophobicContact CD2-CB 4.25Å; W146-L152 HydrophobicContact CD2-CD1 3.64Å; W146-L152 HydrophobicContact CE3-CD1 3.46Å; W146-L152 VanDerWaalsContact CE3-CD1 3.46Å; W146-L152 HydrophobicContact CG-CB 4.43Å; W146-L152 HydrophobicContact CG-CD1 4.41Å; W146-L152 HydrophobicContact CH2-CD1 3.77Å; W146-L152 HydrophobicContact CZ2-CB 4.42Å; W146-L152 HydrophobicContact CZ2-CD1 3.93Å; W146-L152 HydrophobicContact CZ3-CD1 3.54Å; L152-D156 HydrophobicContact CD1-CB 3.51Å; L152-F157 HydrophobicContact CD1-CE2 4.37Å; L152-F157 HydrophobicContact CD2-CE2 3.76Å; L152-F157 HydrophobicContact CD2-CZ 3.84Å; L152-F157 HydrophobicContact CG-CE2 4Å; L152-F187 HydrophobicContact CD1-CD2 4.23Å; L152-F187 HydrophobicContact CD1-CE2 4.23Å; L152-L190 HydrophobicContact CD1-CD1 4.24Å; L152-L190 HydrophobicContact CD2-CD1 3.75Å
153T98.9Very high98.5Very high2 Ų232.6 Ų32.61%0.01215%0.152CC..  trans-133.7169.5176.463.80000110.1L86 I97 A148 A155 D156 F157L86-T153 WeakPolarHBondContact O-CA 3.4Å; L86-T153 WeakPolarHBondContact O-CB 3.45Å; I97-T153 HydrophobicContact CD1-CG2 3.89Å; A148-T153 HydrophobicContact CB-CG2 3.72Å; T153-A155 PolarHBondContact O-N 2.63Å; T153-D156 PolarHBondContact N-OD2 2.92Å; T153-D156 WeakPolarHBondContact O-CB 3.32Å; T153-D156 PolarHBondContact O-N 2.85Å; T153-D156 VanDerWaalsContact O-N 3.11Å; T153-D156 PolarHBondContact OG1-OD2 3.02Å; T153-F157 WeakPolarHBondContact O-CD2 3.45Å
154Y98.8Very high98.6Very high3 Ų323.6 Ų23.61%0.01211%0.109CC..Hα-helixtrans-63.8-22.8178.781-91.7000113L77 R78 A81 L86 I97 E101 D156 F157 I158L77-Y154 HydrophobicContact CB-CD2 3.91Å; L77-Y154 HydrophobicContact CD1-CD2 4.32Å; R78-Y154 HydrophobicContact CG-CE1 4.03Å; R78-Y154 HydrophobicContact CG-CE2 3.92Å; R78-Y154 PolarHBondContact NE-OH 2.87Å; R78-Y154 VanDerWaalsContact NE-OH 3.17Å; R78-Y154 PolarHBondContact NH1-OH 3.11Å; R78-Y154 VanDerWaalsContact NH1-OH 3.14Å; R78-Y154 PolarHBondContact NH2-OH 2.7Å; A81-Y154 HydrophobicContact CB-CD1 3.6Å; A81-Y154 HydrophobicContact CB-CG 3.91Å; L86-Y154 WeakPolarHBondContact O-CD1 3.4Å; L86-Y154 PolarHBondContact O-N 3.34Å; I97-Y154 HydrophobicContact CG2-CD1 4.28Å; I97-Y154 HydrophobicContact CG2-CE1 3.35Å; I97-Y154 HydrophobicContact CG2-CE2 4.27Å; I97-Y154 WeakPolarHBondContact CG2-OH 3.24Å; E101-Y154 WeakPolarHBondContact OE2-CE2 3.31Å; E101-Y154 VanDerWaalsContact OE2-CZ 3.25Å; E101-Y154 PolarHBondContact OE2-OH 2.67Å; Y154-D156 PolarHBondContact O-N 3.03Å; Y154-F157 WeakPolarHBondContact O-CB 3.42Å; Y154-F157 PolarHBondContact O-N 3.49Å; Y154-I158 HydrophobicContact CD2-CD1 3.76Å; Y154-I158 HydrophobicContact CE2-CD1 3.69Å; Y154-I158 PolarHBondContact O-N 2.91Å
155A98.6Very high98.5Very high1 Ų119.6 Ų19.61%0.00810%0.095CC..Hα-helixtrans-59.7-33.6173.700000112.7I97 L100 T153 F157 I158 M159I97-A155 HydrophobicContact CB-CB 4.35Å; I97-A155 HydrophobicContact CG1-CB 4.08Å; I97-A155 HydrophobicContact CG2-CB 4.07Å; L100-A155 HydrophobicContact CD2-CB 4.06Å; T153-A155 PolarHBondContact O-N 2.63Å; A155-F157 VanDerWaalsContact C-N 3.31Å; A155-F157 PolarHBondContact O-N 2.94Å; A155-I158 WeakPolarHBondContact O-CB 3.31Å; A155-I158 PolarHBondContact O-N 2.98Å; A155-M159 PolarHBondContact O-N 2.72Å
156D98.9Very high98.5Very high0 Ų014.7 Ų14.70%07%0.073CC..Hα-helixtrans-67.9-31.8178.1-59.3-74000111.7W146 F147 L152 T153 Y154 I158 M159 Y160 F183 F187W146-D156 WeakPolarHBondContact CB-OD1 3.46Å; W146-D156 HydrophobicContact CE3-CB 4.17Å; F147-D156 PolarHBondContact N-OD1 3.06Å; L152-D156 HydrophobicContact CD1-CB 3.51Å; T153-D156 PolarHBondContact N-OD2 2.92Å; T153-D156 WeakPolarHBondContact O-CB 3.32Å; T153-D156 PolarHBondContact O-N 2.85Å; T153-D156 VanDerWaalsContact O-N 3.11Å; T153-D156 PolarHBondContact OG1-OD2 3.02Å; Y154-D156 PolarHBondContact O-N 3.03Å; D156-I158 VanDerWaalsContact C-N 3.35Å; D156-M159 PolarHBondContact O-N 3.35Å; D156-Y160 WeakPolarHBondContact O-CB 3.44Å; D156-Y160 PolarHBondContact O-N 3.1Å; D156-F183 HydrophobicContact CB-CE2 4.02Å; D156-F183 HydrophobicContact CB-CZ 4.23Å; D156-F183 WeakPolarHBondContact O-CZ 3.41Å; D156-F187 HydrophobicContact CB-CD2 4.38Å; D156-F187 HydrophobicContact CB-CE2 4.26Å
157F98.9Very high98.4Very high0 Ų017.5 Ų17.50%08%0.084CC..Hα-helixtrans-67.9-37.7175-64.9-102.2000111.6H16 L19 M20 Y23 L152 T153 Y154 A155 E161 F187H16-F157 HydrophobicContact CB-CB 4.31Å; H16-F157 WeakPolarHBondContact CB-O 3.26Å; L19-F157 HydrophobicContact CB-CD1 3.82Å; L19-F157 HydrophobicContact CB-CE1 4.36Å; M20-F157 VanDerWaalsContact CA-CE1 3.4Å; M20-F157 HydrophobicContact CB-CD1 3.73Å; M20-F157 HydrophobicContact CB-CE1 3.94Å; M20-F157 HydrophobicContact CB-CG 4.2Å; M20-F157 HydrophobicContact CG-CD1 4.33Å; M20-F157 HydrophobicContact CG-CE1 4.27Å; M20-F157 HydrophobicContact CG-CE2 4.5Å; M20-F157 HydrophobicContact CG-CZ 4.34Å; Y23-F157 HydrophobicContact CD1-CE1 4.39Å; Y23-F157 HydrophobicContact CD1-CE2 4.5Å; Y23-F157 AromaticContact CD1-CZ 3.6Å; Y23-F157 HydrophobicContact CD1-CZ 3.6Å; Y23-F157 HydrophobicContact CD2-CZ 4.39Å; Y23-F157 HydrophobicContact CE1-CZ 4.32Å; Y23-F157 HydrophobicContact CG-CE1 4.1Å; Y23-F157 AromaticContact CG-CZ 3.65Å; Y23-F157 HydrophobicContact CG-CZ 3.65Å; L152-F157 HydrophobicContact CD1-CE2 4.37Å; L152-F157 HydrophobicContact CD2-CE2 3.76Å; L152-F157 HydrophobicContact CD2-CZ 3.84Å; L152-F157 HydrophobicContact CG-CE2 4Å; T153-F157 WeakPolarHBondContact O-CD2 3.45Å; Y154-F157 WeakPolarHBondContact O-CB 3.42Å; Y154-F157 PolarHBondContact O-N 3.49Å; A155-F157 VanDerWaalsContact C-N 3.31Å; A155-F157 PolarHBondContact O-N 2.94Å; F157-E161 WeakPolarHBondContact O-CB 3.48Å; F157-E161 PolarHBondContact O-N 3.21Å; F157-E161 VanDerWaalsContact O-N 3.17Å; F157-F187 HydrophobicContact CB-CZ 4.27Å; F157-F187 HydrophobicContact CD1-CE2 4.07Å; F157-F187 AromaticContact CD1-CZ 3.48Å; F157-F187 HydrophobicContact CD1-CZ 3.48Å; F157-F187 VanDerWaalsContact CD1-CZ 3.48Å; F157-F187 HydrophobicContact CD2-CE2 4.18Å; F157-F187 HydrophobicContact CD2-CZ 4.4Å; F157-F187 HydrophobicContact CE1-CE2 4.18Å; F157-F187 AromaticContact CE1-CZ 3.73Å; F157-F187 HydrophobicContact CE1-CZ 3.73Å; F157-F187 HydrophobicContact CE2-CE2 4.35Å; F157-F187 HydrophobicContact CG-CE2 4.03Å; F157-F187 AromaticContact CG-CZ 3.82Å; F157-F187 HydrophobicContact CG-CZ 3.82Å; F157-F187 HydrophobicContact CZ-CE2 4.34Å; F157-F187 HydrophobicContact CZ-CZ 4.33Å
158I98.6Very high98.4Very high5 Ų519.6 Ų19.63%0.0269%0.094CC..Hα-helixtrans-65.1-48.2175.8-62.1165.2000109.7M74 L77 E101 C104 Y154 A155 D156 E161 M162M74-I158 HydrophobicContact CE-CD1 4.23Å; M74-I158 HydrophobicContact CE-CG1 4.19Å; M74-I158 HydrophobicContact SD-CD1 3.42Å; M74-I158 WeakPolarHBondContact SD-CD1 3.25Å; M74-I158 HydrophobicContact SD-CG1 4.02Å; L77-I158 HydrophobicContact CD1-CD1 3.7Å; L77-I158 HydrophobicContact CD1-CG1 3.32Å; E101-I158 HydrophobicContact CB-CD1 4.41Å; E101-I158 HydrophobicContact CG-CD1 4.16Å; C104-I158 HydrophobicContact CB-CG2 3.75Å; C104-I158 WeakPolarHBondContact SG-CG2 3.36Å; Y154-I158 HydrophobicContact CD2-CD1 3.76Å; Y154-I158 HydrophobicContact CE2-CD1 3.69Å; Y154-I158 PolarHBondContact O-N 2.91Å; A155-I158 WeakPolarHBondContact O-CB 3.31Å; A155-I158 PolarHBondContact O-N 2.98Å; D156-I158 VanDerWaalsContact C-N 3.35Å; I158-E161 PolarHBondContact O-N 3.47Å; I158-M162 PolarHBondContact O-N 3.38Å
159M98.8Very high98.3Very high1 Ų120.3 Ų20.31%0.00510%0.097CC..Hα-helixtrans-67.9-39.6-179.6-74-49.6-58.700113.3L100 C104 F137 F147 A155 D156 M162 L163 F183L100-M159 HydrophobicContact CD1-CE 4.38Å; L100-M159 HydrophobicContact CD1-CG 3.9Å; L100-M159 HydrophobicContact CD1-SD 3.58Å; L100-M159 VanDerWaalsContact CD1-SD 3.58Å; L100-M159 HydrophobicContact CD2-CG 3.6Å; L100-M159 HydrophobicContact CD2-SD 4.35Å; L100-M159 HydrophobicContact CG-CG 3.77Å; L100-M159 HydrophobicContact CG-SD 3.85Å; C104-M159 HydrophobicContact CB-SD 3.87Å; F137-M159 HydrophobicContact CB-CE 4.14Å; F137-M159 HydrophobicContact CD1-CE 3.45Å; F137-M159 VanDerWaalsContact CD1-CE 3.45Å; F137-M159 HydrophobicContact CD1-SD 4.06Å; F137-M159 HydrophobicContact CD2-CE 4.15Å; F137-M159 HydrophobicContact CE1-CE 3.78Å; F137-M159 HydrophobicContact CE1-SD 3.94Å; F137-M159 HydrophobicContact CE2-CE 4.44Å; F137-M159 HydrophobicContact CG-CE 3.65Å; F137-M159 HydrophobicContact CZ-CE 4.27Å; F147-M159 HydrophobicContact CD1-CG 4.35Å; F147-M159 HydrophobicContact CD2-CB 3.88Å; F147-M159 HydrophobicContact CD2-CG 3.86Å; F147-M159 HydrophobicContact CE1-CE 4.3Å; F147-M159 HydrophobicContact CE1-CG 4.2Å; F147-M159 HydrophobicContact CE2-CB 3.5Å; F147-M159 HydrophobicContact CE2-CG 3.69Å; F147-M159 HydrophobicContact CG-CG 4.19Å; F147-M159 HydrophobicContact CZ-CB 4.02Å; F147-M159 HydrophobicContact CZ-CE 3.9Å; F147-M159 HydrophobicContact CZ-CG 3.87Å; A155-M159 PolarHBondContact O-N 2.72Å; D156-M159 PolarHBondContact O-N 3.35Å; M159-M162 PolarHBondContact O-N 2.88Å; M159-L163 HydrophobicContact CE-CD1 4.37Å; M159-L163 HydrophobicContact CE-CG 4.26Å; M159-L163 WeakPolarHBondContact O-CB 3.4Å; M159-L163 VanDerWaalsContact O-CG 3.27Å; M159-L163 WeakPolarHBondContact O-CG 3.36Å; M159-L163 PolarHBondContact O-N 2.98Å; M159-F183 HydrophobicContact CB-CE1 4.24Å; M159-F183 HydrophobicContact CB-CZ 4.09Å
160Y98.9Very high98.3Very high1 Ų123.1 Ų23.10%0.00411%0.108CC..Hα-helixtrans-56.7-52173.3173.2-95000110.8L19 D156 M162 L163 D164 L184 F187 E188L19-Y160 HydrophobicContact CD1-CD1 3.42Å; L19-Y160 VanDerWaalsContact CD1-CD1 3.42Å; L19-Y160 HydrophobicContact CD1-CE1 3.66Å; L19-Y160 HydrophobicContact CD2-CE1 4.24Å; D156-Y160 WeakPolarHBondContact O-CB 3.44Å; D156-Y160 PolarHBondContact O-N 3.1Å; Y160-M162 VanDerWaalsContact C-N 3.29Å; Y160-M162 PolarHBondContact O-N 3.43Å; Y160-L163 PolarHBondContact O-N 3.4Å; Y160-D164 HydrophobicContact CE1-CB 4.4Å; Y160-D164 VanDerWaalsContact O-CB 3.26Å; Y160-D164 WeakPolarHBondContact O-CB 3.35Å; Y160-D164 PolarHBondContact O-N 2.95Å; Y160-L184 HydrophobicContact CD2-CD2 3.47Å; Y160-L184 VanDerWaalsContact CD2-CD2 3.47Å; Y160-L184 HydrophobicContact CE2-CD2 3.76Å; Y160-L184 HydrophobicContact CG-CD2 4.4Å; Y160-F187 AromaticContact CD1-CD1 3.78Å; Y160-F187 HydrophobicContact CD1-CD1 3.78Å; Y160-F187 AromaticContact CD1-CE1 3.53Å; Y160-F187 HydrophobicContact CD1-CE1 3.53Å; Y160-F187 HydrophobicContact CD1-CZ 4.36Å; Y160-F187 HydrophobicContact CD2-CB 3.9Å; Y160-F187 AromaticContact CD2-CD1 3.24Å; Y160-F187 HydrophobicContact CD2-CD1 3.24Å; Y160-F187 AromaticContact CD2-CE1 3.9Å; Y160-F187 HydrophobicContact CD2-CE1 3.9Å; Y160-F187 AromaticContact CD2-CG 3.73Å; Y160-F187 HydrophobicContact CD2-CG 3.73Å; Y160-F187 HydrophobicContact CE1-CD1 4.23Å; Y160-F187 HydrophobicContact CE1-CE1 4.12Å; Y160-F187 AromaticContact CE2-CD1 3.78Å; Y160-F187 HydrophobicContact CE2-CD1 3.78Å; Y160-F187 HydrophobicContact CE2-CE1 4.47Å; Y160-F187 AromaticContact CG-CD1 3.24Å; Y160-F187 HydrophobicContact CG-CD1 3.24Å; Y160-F187 AromaticContact CG-CE1 3.38Å; Y160-F187 HydrophobicContact CG-CE1 3.38Å; Y160-F187 AromaticContact CG-CG 3.88Å; Y160-F187 HydrophobicContact CG-CG 3.88Å; Y160-F187 HydrophobicContact CG-CZ 4.12Å; Y160-E188 HydrophobicContact CE2-CG 3.5Å; Y160-E188 WeakPolarHBondContact CE2-OE1 3.47Å; Y160-E188 WeakPolarHBondContact OH-CG 3.43Å; Y160-E188 PolarHBondContact OH-OE1 2.91Å
161E98.4Very high98.3Very high0 Ų021.5 Ų21.50%011%0.105CC..Hα-helixtrans-58.3-43-179.6-178.364.6-166.600111.5R11 H16 F157 I158 M165R11-E161 WeakPolarHBondContact CD-OE1 3.39Å; R11-E161 WeakPolarHBondContact CG-OE1 3.44Å; R11-E161 IonicContact CZ-OE1 3.94Å; R11-E161 IonicContact CZ-OE2 2.67Å; R11-E161 VanDerWaalsContact CZ-OE2 3.25Å; R11-E161 IonicContact NE-OE1 2.72Å; R11-E161 PolarHBondContact NE-OE1 3.45Å; R11-E161 IonicContact NE-OE2 3.25Å; R11-E161 PolarHBondContact NE-OE2 3.29Å; R11-E161 IonicContact NH2-OE1 2.63Å; R11-E161 IonicContact NH2-OE2 3.1Å; R11-E161 PolarHBondContact NH2-OE2 2.81Å; H16-E161 HydrophobicContact CB-CB 3.88Å; H16-E161 HydrophobicContact CB-CG 4.18Å; F157-E161 WeakPolarHBondContact O-CB 3.48Å; F157-E161 PolarHBondContact O-N 3.21Å; F157-E161 VanDerWaalsContact O-N 3.17Å; I158-E161 PolarHBondContact O-N 3.47Å; E161-M165 HydrophobicContact CG-CE 4.17Å; E161-M165 WeakPolarHBondContact O-CE 3.4Å; E161-M165 VanDerWaalsContact O-CG 3.31Å; E161-M165 WeakPolarHBondContact O-CG 3.18Å; E161-M165 PolarHBondContact O-N 3.17Å; E161-M165 VanDerWaalsContact O-N 3.1Å
162M98.3Very high98.3Very high1 Ų118.5 Ų18.51%0.00510%0.098CC..Hα-helixtrans-65.9-49.7179.1-165.965-10600112.3C104 L107 R108 I158 M159 Y160 D164 M165 Q166C104-M162 WeakPolarHBondContact SG-CB 3.48Å; C104-M162 VanDerWaalsContact SG-CG 3.5Å; L107-M162 HydrophobicContact CD2-CE 4.43Å; L107-M162 HydrophobicContact CD2-CG 3.92Å; L107-M162 HydrophobicContact CD2-SD 4.42Å; L107-M162 HydrophobicContact CG-CE 4.38Å; L107-M162 HydrophobicContact CG-CG 4.46Å; L107-M162 HydrophobicContact CG-SD 4.35Å; R108-M162 HydrophobicContact CB-SD 3.7Å; R108-M162 HydrophobicContact CG-SD 4.18Å; I158-M162 PolarHBondContact O-N 3.38Å; M159-M162 PolarHBondContact O-N 2.88Å; Y160-M162 VanDerWaalsContact C-N 3.29Å; Y160-M162 PolarHBondContact O-N 3.43Å; M162-D164 PolarHBondContact O-N 3.29Å; M162-M165 HydrophobicContact CE-CB 4.38Å; M162-M165 HydrophobicContact CE-CE 3.71Å; M162-M165 PolarHBondContact O-N 3.28Å; M162-M165 HydrophobicContact SD-CE 3.88Å; M162-Q166 HydrophobicContact CE-CG 3.94Å; M162-Q166 WeakPolarHBondContact O-CG 3.26Å; M162-Q166 PolarHBondContact O-N 2.94Å
163L98.8Very high98.3Very high1 Ų118.4 Ų18.41%0.00510%0.099CC..Hα-helixtrans-66.2-37.6-179.2-69.3172.6000111.9L134 M159 Y160 Q166 R167 L174 L180 F183 L184L134-L163 HydrophobicContact CD2-CD2 3.66Å; M159-L163 HydrophobicContact CE-CD1 4.37Å; M159-L163 HydrophobicContact CE-CG 4.26Å; M159-L163 WeakPolarHBondContact O-CB 3.4Å; M159-L163 VanDerWaalsContact O-CG 3.27Å; M159-L163 WeakPolarHBondContact O-CG 3.36Å; M159-L163 PolarHBondContact O-N 2.98Å; Y160-L163 PolarHBondContact O-N 3.4Å; L163-Q166 PolarHBondContact O-N 3.31Å; L163-R167 PolarHBondContact O-N 3.1Å; L163-L174 HydrophobicContact CD2-CD2 4.05Å; L163-L180 HydrophobicContact CD1-CB 4.49Å; L163-L180 HydrophobicContact CD1-CD2 4.22Å; L163-L180 HydrophobicContact CD2-CD1 4.15Å; L163-F183 HydrophobicContact CD1-CD1 3.83Å; L163-F183 HydrophobicContact CD1-CE1 3.93Å; L163-L184 HydrophobicContact CB-CD1 4.35Å; L163-L184 HydrophobicContact CB-CD2 3.87Å; L163-L184 HydrophobicContact CB-CG 4.41Å
164D98.6Very high98.3Very high4 Ų418.6 Ų18.62%0.02110%0.1CC..Hα-helixtrans-63.2-45.1175.6-173.635.2000111.4R11 Y160 M162 Q166 R167 M168R11-D164 IonicContact CZ-OD2 3.21Å; R11-D164 IonicContact NH1-OD2 3.07Å; R11-D164 PolarHBondContact NH1-OD2 2.8Å; R11-D164 IonicContact NH2-OD2 3.05Å; R11-D164 PolarHBondContact NH2-OD2 2.57Å; Y160-D164 HydrophobicContact CE1-CB 4.4Å; Y160-D164 VanDerWaalsContact O-CB 3.26Å; Y160-D164 WeakPolarHBondContact O-CB 3.35Å; Y160-D164 PolarHBondContact O-N 2.95Å; M162-D164 PolarHBondContact O-N 3.29Å; D164-Q166 VanDerWaalsContact C-N 3.29Å; D164-Q166 PolarHBondContact O-N 3.09Å; D164-R167 VanDerWaalsContact O-CG 3.25Å; D164-R167 WeakPolarHBondContact O-CG 3.3Å; D164-R167 PolarHBondContact O-N 3.48Å; D164-R167 IonicContact OD1-CZ 3.27Å; D164-R167 IonicContact OD1-NE 3.1Å; D164-R167 PolarHBondContact OD1-NE 3.45Å; D164-R167 IonicContact OD1-NH2 2.78Å; D164-R167 PolarHBondContact OD1-NH2 3.47Å; D164-M168 WeakPolarHBondContact O-CB 3.45Å; D164-M168 VanDerWaalsContact O-CG 3.27Å; D164-M168 WeakPolarHBondContact O-CG 3.46Å; D164-M168 PolarHBondContact O-N 3.46Å
165M97.5Very high98.2Very high3 Ų322.9 Ų22.92%0.01512%0.122CC..Hα-helixtrans-58.7-40.1172.8-73.8-174.1-63.800112.2E161 M162 M168 F169 I207E161-M165 HydrophobicContact CG-CE 4.17Å; E161-M165 WeakPolarHBondContact O-CE 3.4Å; E161-M165 VanDerWaalsContact O-CG 3.31Å; E161-M165 WeakPolarHBondContact O-CG 3.18Å; E161-M165 PolarHBondContact O-N 3.17Å; E161-M165 VanDerWaalsContact O-N 3.1Å; M162-M165 HydrophobicContact CE-CB 4.38Å; M162-M165 HydrophobicContact CE-CE 3.71Å; M162-M165 PolarHBondContact O-N 3.28Å; M162-M165 HydrophobicContact SD-CE 3.88Å; M165-M168 PolarHBondContact O-N 3.21Å; M165-F169 WeakPolarHBondContact O-CB 3.44Å; M165-F169 PolarHBondContact O-N 3.23Å; M165-I207 HydrophobicContact CG-CD1 4.21Å; M165-I207 HydrophobicContact CG-CG2 4.01Å; M165-I207 HydrophobicContact SD-CG2 3.58Å; M165-I207 VanDerWaalsContact SD-CG2 3.58Å
166Q98.1Very high98.2Very high0 Ų029.9 Ų29.90%016%0.16CC..Hα-helixtrans-68.3-42.3179.2-65.5-45.7-68.800112.8Y126 L130 M162 L163 D164 M168 F169 H170 C173Y126-Q166 PolarHBondContact OH-NE2 2.71Å; Y126-Q166 PolarHBondContact OH-OE1 2.89Å; L130-Q166 HydrophobicContact CD1-CG 4.22Å; M162-Q166 HydrophobicContact CE-CG 3.94Å; M162-Q166 WeakPolarHBondContact O-CG 3.26Å; M162-Q166 PolarHBondContact O-N 2.94Å; L163-Q166 PolarHBondContact O-N 3.31Å; D164-Q166 VanDerWaalsContact C-N 3.29Å; D164-Q166 PolarHBondContact O-N 3.09Å; Q166-M168 VanDerWaalsContact C-N 3.3Å; Q166-M168 PolarHBondContact O-N 3.01Å; Q166-F169 PolarHBondContact O-N 3.47Å; Q166-H170 PolarHBondContact O-N 3.31Å; Q166-C173 VanDerWaalsContact C-SG 3.58Å; Q166-C173 PolarHBondContact O-SG 3.29Å
167R97.6Very high98.2Very high69 Ų6931 Ų3126%0.2617%0.165SC..Hα-helixtrans-69.3-28.5175.573.2177.9-179.4-177.82.7112.2L163 D164 H170 P171 L174 E188L163-R167 PolarHBondContact O-N 3.1Å; D164-R167 VanDerWaalsContact O-CG 3.25Å; D164-R167 WeakPolarHBondContact O-CG 3.3Å; D164-R167 PolarHBondContact O-N 3.48Å; D164-R167 IonicContact OD1-CZ 3.27Å; D164-R167 IonicContact OD1-NE 3.1Å; D164-R167 PolarHBondContact OD1-NE 3.45Å; D164-R167 IonicContact OD1-NH2 2.78Å; D164-R167 PolarHBondContact OD1-NH2 3.47Å; R167-H170 CarbonylContact O-C 3.54Å; R167-P171 WeakPolarHBondContact O-CA 3.47Å; R167-L174 HydrophobicContact CB-CD1 4.09Å; R167-E188 IonicContact CZ-OE1 2.82Å; R167-E188 VanDerWaalsContact CZ-OE1 3.25Å; R167-E188 IonicContact NH1-OE1 2.64Å; R167-E188 PolarHBondContact NH1-OE1 2.94Å; R167-E188 IonicContact NH1-OE2 3.03Å; R167-E188 IonicContact NH2-OE1 3.15Å; R167-E188 PolarHBondContact NH2-OE1 2.89Å
168M97.4Very high98.1Very high44 Ų4439.2 Ų39.222%0.21720%0.2CC..Hα-helixtrans-69.5-39.4171.1-71.5176.865.400111.8D164 M165 Q166 K204 E205 I207 W214D164-M168 WeakPolarHBondContact O-CB 3.45Å; D164-M168 VanDerWaalsContact O-CG 3.27Å; D164-M168 WeakPolarHBondContact O-CG 3.46Å; D164-M168 PolarHBondContact O-N 3.46Å; M165-M168 PolarHBondContact O-N 3.21Å; Q166-M168 VanDerWaalsContact C-N 3.3Å; Q166-M168 PolarHBondContact O-N 3.01Å; M168-K204 HydrophobicContact CE-CG 4.34Å; M168-E205 HydrophobicContact CE-CG 3.49Å; M168-E205 VanDerWaalsContact CE-CG 3.49Å; M168-I207 HydrophobicContact CE-CD1 3.96Å; M168-I207 HydrophobicContact CE-CG1 4.19Å; M168-I207 HydrophobicContact SD-CD1 4.1Å; M168-W214 HydrophobicContact CB-CH2 4.16Å; M168-W214 HydrophobicContact CB-CZ2 4.34Å
169F97.7Very high98.1Very high16 Ų1640.9 Ų40.97%0.0721%0.21CC..Hα-helixtrans-72.7-44179.6-178.5-110.9000113.1F111 M114 L119 K123 Y126 L127 M165 Q166 W214F111-F169 HydrophobicContact CE2-CB 3.87Å; F111-F169 AromaticContact CE2-CD1 3.79Å; F111-F169 HydrophobicContact CE2-CD1 3.79Å; F111-F169 AromaticContact CE2-CD2 3.82Å; F111-F169 HydrophobicContact CE2-CD2 3.82Å; F111-F169 HydrophobicContact CE2-CE1 4.25Å; F111-F169 HydrophobicContact CE2-CE2 4.3Å; F111-F169 AromaticContact CE2-CG 3.55Å; F111-F169 HydrophobicContact CE2-CG 3.55Å; F111-F169 HydrophobicContact CE2-CZ 4.49Å; F111-F169 HydrophobicContact CZ-CB 3.95Å; F111-F169 HydrophobicContact CZ-CD2 4.05Å; F111-F169 AromaticContact CZ-CG 3.98Å; F111-F169 HydrophobicContact CZ-CG 3.98Å; M114-F169 HydrophobicContact CE-CD1 4.34Å; M114-F169 HydrophobicContact CE-CE1 3.56Å; M114-F169 HydrophobicContact CE-CE2 3.85Å; M114-F169 HydrophobicContact CE-CZ 3.27Å; M114-F169 HydrophobicContact SD-CE1 4.24Å; M114-F169 HydrophobicContact SD-CZ 3.88Å; L119-F169 HydrophobicContact CD1-CE2 3.93Å; L119-F169 HydrophobicContact CD1-CZ 4.06Å; K123-F169 HydrophobicContact CD-CZ 3.94Å; K123-F169 HydrophobicContact CG-CE1 4.42Å; K123-F169 HydrophobicContact CG-CZ 3.94Å; Y126-F169 HydrophobicContact CD1-CE1 4.12Å; Y126-F169 HydrophobicContact CE1-CD1 4.41Å; Y126-F169 HydrophobicContact CE1-CE1 4.28Å; L127-F169 HydrophobicContact CD2-CD1 4.16Å; L127-F169 HydrophobicContact CD2-CE1 3.77Å; L127-F169 HydrophobicContact CG-CE1 4.34Å; M165-F169 WeakPolarHBondContact O-CB 3.44Å; M165-F169 PolarHBondContact O-N 3.23Å; Q166-F169 PolarHBondContact O-N 3.47Å; F169-W214 HydrophobicContact CB-CH2 4Å; F169-W214 HydrophobicContact CB-CZ2 3.87Å; F169-W214 AromaticContact CD2-CD2 3.74Å; F169-W214 HydrophobicContact CD2-CD2 3.74Å; F169-W214 AromaticContact CD2-CE2 3.59Å; F169-W214 HydrophobicContact CD2-CE3 4.25Å; F169-W214 HydrophobicContact CD2-CG 4.05Å; F169-W214 HydrophobicContact CD2-CH2 4.47Å; F169-W214 AromaticContact CD2-CZ2 3.99Å; F169-W214 HydrophobicContact CD2-CZ2 3.99Å; F169-W214 AromaticContact CD2-NE1 3.75Å; F169-W214 HydrophobicContact CE2-CD2 4.31Å; F169-W214 HydrophobicContact CE2-CG 4.17Å; F169-W214 HydrophobicContact CG-CZ2 4.46Å
170H97.9Very high98.1Very high67 Ų6740.9 Ų40.931%0.3121%0.209SC..SBendtrans-138.790.2179.7-172.451000109.4L127 Q166 R167 P172 C173L127-H170 HydrophobicContact CD2-CB 3.85Å; Q166-H170 PolarHBondContact O-N 3.31Å; R167-H170 CarbonylContact O-C 3.54Å; H170-P172 VanDerWaalsContact CE1-CG 3.46Å; H170-P172 WeakPolarHBondContact CE1-CG 3.46Å; H170-C173 HydrophobicContact CB-CB 4.26Å; H170-C173 WeakPolarHBondContact O-CB 3.38Å; H170-C173 PolarHBondContact O-N 3.24Å; H170-C173 PolarHBondContact O-SG 2.85Å
171P97.8Very high98.1Very high94 Ų9444.2 Ų44.261%0.6122%0.224SC*.G310 helixtrans-48.2-42.1-174.7-30.836.3000117.1R167 C173R167-P171 WeakPolarHBondContact O-CA 3.47Å; P171-C173 PolarHBondContact O-N 3.41Å
172P97.8Very high98.2Very high62 Ų6246 Ų4640%0.40324%0.238SC..G310 helixtrans-790.1-178.232.8-35.9000113.8H170 L174 D175H170-P172 VanDerWaalsContact CE1-CG 3.46Å; H170-P172 WeakPolarHBondContact CE1-CG 3.46Å; P172-L174 PolarHBondContact O-N 3.13Å; P172-D175 WeakPolarHBondContact CA-OD2 3.27Å; P172-D175 WeakPolarHBondContact CB-OD2 3.29Å; P172-D175 WeakPolarHBondContact O-CB 3.07Å; P172-D175 PolarHBondContact O-N 3.48Å
173C98.3Very high98.2Very high13 Ų1346 Ų469%0.08824%0.239CC..G310 helixtrans-60.2-23.8-171.970.50000114L130 L134 Q166 H170 P171 F177L130-C173 HydrophobicContact CD2-CB 3.84Å; L134-C173 HydrophobicContact CD1-CB 3.87Å; L134-C173 VanDerWaalsContact CD1-O 3.26Å; L134-C173 WeakPolarHBondContact CD1-O 3.23Å; Q166-C173 VanDerWaalsContact C-SG 3.58Å; Q166-C173 PolarHBondContact O-SG 3.29Å; H170-C173 HydrophobicContact CB-CB 4.26Å; H170-C173 WeakPolarHBondContact O-CB 3.38Å; H170-C173 PolarHBondContact O-N 3.24Å; H170-C173 PolarHBondContact O-SG 2.85Å; P171-C173 PolarHBondContact O-N 3.41Å; C173-F177 WeakPolarHBondContact O-CE2 3.33Å
174L98.3Very high98.2Very high6 Ų646.1 Ų46.13%0.03124%0.239CC..G310 helixtrans-100.53.2-179.8-59.9178.3000114.4L134 L163 R167 P172 N176 F177 L180 K181 L184L134-L174 HydrophobicContact CD1-CD2 4.01Å; L134-L174 HydrophobicContact CD2-CD2 4Å; L163-L174 HydrophobicContact CD2-CD2 4.05Å; R167-L174 HydrophobicContact CB-CD1 4.09Å; P172-L174 PolarHBondContact O-N 3.13Å; L174-N176 VanDerWaalsContact C-N 3.25Å; L174-N176 PolarHBondContact O-N 2.64Å; L174-F177 HydrophobicContact CD2-CD2 4.47Å; L174-F177 PolarHBondContact O-N 2.83Å; L174-L180 HydrophobicContact CD2-CB 4.32Å; L174-L180 HydrophobicContact CD2-CD1 4.09Å; L174-K181 HydrophobicContact CB-CD 4.41Å; L174-K181 HydrophobicContact CB-CG 3.93Å; L174-K181 VanDerWaalsContact O-CE 3.28Å; L174-K181 WeakPolarHBondContact O-CE 3.27Å; L174-L184 HydrophobicContact CD1-CD1 3.43Å; L174-L184 VanDerWaalsContact CD1-CD1 3.43Å
175D97.9Very high98.2Very high92 Ų9250.8 Ų50.849%0.49226%0.264SS..THydrogen-bonded Turntrans-60.4-36.9-171.2-78.9-20.6000113.4P172 K181P172-D175 WeakPolarHBondContact CA-OD2 3.27Å; P172-D175 WeakPolarHBondContact CB-OD2 3.29Å; P172-D175 WeakPolarHBondContact O-CB 3.07Å; P172-D175 PolarHBondContact O-N 3.48Å; D175-K181 PolarHBondContact O-NZ 2.91Å; D175-K181 IonicContact OD1-NZ 2.69Å
176N97.5Very high98.3Very high148 Ų14855.5 Ų55.579%0.79128%0.282SS*.THydrogen-bonded Turntrans-84-5.4179.6-63.9-35.4000114L174L174-N176 VanDerWaalsContact C-N 3.25Å; L174-N176 PolarHBondContact O-N 2.64Å
177F98.4Very high98.3Very high23 Ų2355.5 Ų55.510%0.10128%0.282CS..  trans-116.476.1-173.6-52.7-67.2000111.2P131 L134 K135 C173 L174 N179 L180 K181P131-F177 WeakPolarHBondContact O-CZ 3.38Å; L134-F177 HydrophobicContact CB-CD2 3.93Å; L134-F177 HydrophobicContact CB-CE2 3.49Å; L134-F177 VanDerWaalsContact CB-CE2 3.49Å; L134-F177 HydrophobicContact CB-CZ 3.92Å; L134-F177 HydrophobicContact CD1-CD2 4.42Å; L134-F177 HydrophobicContact CD1-CE2 4.11Å; L134-F177 HydrophobicContact CG-CE2 4.47Å; K135-F177 HydrophobicContact CB-CE1 3.8Å; K135-F177 HydrophobicContact CB-CZ 4.11Å; K135-F177 HydrophobicContact CG-CE1 4.3Å; C173-F177 WeakPolarHBondContact O-CE2 3.33Å; L174-F177 HydrophobicContact CD2-CD2 4.47Å; L174-F177 PolarHBondContact O-N 2.83Å; F177-N179 VanDerWaalsContact C-N 3.29Å; F177-N179 PolarHBondContact O-N 3.36Å; F177-L180 HydrophobicContact CB-CB 3.99Å; F177-L180 HydrophobicContact CB-CD1 3.82Å; F177-L180 HydrophobicContact CB-CG 3.94Å; F177-L180 HydrophobicContact CG-CD1 4.15Å; F177-L180 PolarHBondContact O-N 3.3Å; F177-K181 PolarHBondContact O-N 3.49Å; F177-K181 VanDerWaalsContact O-N 3.1Å
178K98.5Very high98.4Very high173 Ų17354.5 Ų54.575%0.75228%0.28SS*.Hα-helixtrans-57.5-38-176.3-68.3-177.6-179.21790113.4K181 A182K178-K181 PolarHBondContact O-N 2.7Å; K178-A182 WeakPolarHBondContact O-CB 3.48Å; K178-A182 PolarHBondContact O-N 2.94Å
179N98.8Very high98.4Very high41 Ų4155.6 Ų55.622%0.21930%0.296CS..Hα-helixtrans-68.9-37.1178.660.7-18.1000112.6S138 L141 G142 F177 A182 F183S138-N179 PolarHBondContact O-ND2 2.9Å; S138-N179 PolarHBondContact OG-ND2 3.27Å; S138-N179 PolarHBondContact OG-OD1 3.48Å; L141-N179 HydrophobicContact CD2-CB 4.28Å; G142-N179 PolarHBondContact O-ND2 2.92Å; F177-N179 VanDerWaalsContact C-N 3.29Å; F177-N179 PolarHBondContact O-N 3.36Å; N179-A182 PolarHBondContact O-N 2.98Å; N179-F183 WeakPolarHBondContact O-CB 3.16Å; N179-F183 PolarHBondContact O-N 3.47Å
180L98.9Very high98.5Very high0 Ų056.4 Ų56.40%030%0.301CS..Hα-helixtrans-67.7-40.1174.5-63-174.2000111.7L141 F147 L163 L174 F177 F183 L184L141-L180 HydrophobicContact CD2-CD2 3.99Å; F147-L180 HydrophobicContact CZ-CD2 4.12Å; L163-L180 HydrophobicContact CD1-CB 4.49Å; L163-L180 HydrophobicContact CD1-CD2 4.22Å; L163-L180 HydrophobicContact CD2-CD1 4.15Å; L174-L180 HydrophobicContact CD2-CB 4.32Å; L174-L180 HydrophobicContact CD2-CD1 4.09Å; F177-L180 HydrophobicContact CB-CB 3.99Å; F177-L180 HydrophobicContact CB-CD1 3.82Å; F177-L180 HydrophobicContact CB-CG 3.94Å; F177-L180 HydrophobicContact CG-CD1 4.15Å; F177-L180 PolarHBondContact O-N 3.3Å; L180-F183 WeakPolarHBondContact O-CB 3.4Å; L180-F183 PolarHBondContact O-N 3.41Å; L180-L184 PolarHBondContact O-N 3.28Å
181K98.8Very high98.5Very high71 Ų7159.7 Ų59.731%0.30932%0.321SS..Hα-helixtrans-60.4-48.3171.4-71.1-170.4-75.3-168.40111.5L174 D175 F177 K178 F183 L184 D185L174-K181 HydrophobicContact CB-CD 4.41Å; L174-K181 HydrophobicContact CB-CG 3.93Å; L174-K181 VanDerWaalsContact O-CE 3.28Å; L174-K181 WeakPolarHBondContact O-CE 3.27Å; D175-K181 PolarHBondContact O-NZ 2.91Å; D175-K181 IonicContact OD1-NZ 2.69Å; F177-K181 PolarHBondContact O-N 3.49Å; F177-K181 VanDerWaalsContact O-N 3.1Å; K178-K181 PolarHBondContact O-N 2.7Å; K181-F183 VanDerWaalsContact C-N 3.25Å; K181-F183 PolarHBondContact O-N 2.95Å; K181-L184 WeakPolarHBondContact O-CB 3.36Å; K181-L184 PolarHBondContact O-N 3.08Å; K181-L184 VanDerWaalsContact O-N 3.1Å; K181-D185 PolarHBondContact O-N 2.95Å
182A98.8Very high98.4Very high37 Ų3755.6 Ų55.631%0.30630%0.296SS..Hα-helixtrans-62.1-31.7176.800000113.2K178 N179 R186K178-A182 WeakPolarHBondContact O-CB 3.48Å; K178-A182 PolarHBondContact O-N 2.94Å; N179-A182 PolarHBondContact O-N 2.98Å; A182-R186 VanDerWaalsContact O-CB 3.23Å; A182-R186 WeakPolarHBondContact O-CB 3.39Å; A182-R186 PolarHBondContact O-N 2.83Å; A182-R186 VanDerWaalsContact O-N 3.08Å
183F98.9Very high98.4Very high3 Ų352.6 Ų52.61%0.01328%0.276CS..Hα-helixtrans-65.3-47.2171.9162.4-94000111.7L141 W146 F147 D156 M159 L163 N179 L180 K181 R186 F187L141-F183 HydrophobicContact CD2-CB 3.95Å; W146-F183 HydrophobicContact CE3-CD2 4.1Å; W146-F183 AromaticContact CE3-CE2 3.85Å; W146-F183 HydrophobicContact CE3-CE2 3.85Å; W146-F183 HydrophobicContact CZ3-CD2 4.28Å; W146-F183 HydrophobicContact CZ3-CE2 4.06Å; F147-F183 HydrophobicContact CD2-CD2 4.06Å; F147-F183 AromaticContact CD2-CE2 3.63Å; F147-F183 HydrophobicContact CD2-CE2 3.63Å; F147-F183 AromaticContact CD2-CZ 3.93Å; F147-F183 HydrophobicContact CD2-CZ 3.93Å; F147-F183 HydrophobicContact CE2-CD1 4.04Å; F147-F183 AromaticContact CE2-CD2 3.86Å; F147-F183 HydrophobicContact CE2-CD2 3.86Å; F147-F183 AromaticContact CE2-CE1 3.86Å; F147-F183 HydrophobicContact CE2-CE1 3.86Å; F147-F183 AromaticContact CE2-CE2 3.65Å; F147-F183 HydrophobicContact CE2-CE2 3.65Å; F147-F183 HydrophobicContact CE2-CG 4.05Å; F147-F183 AromaticContact CE2-CZ 3.66Å; F147-F183 HydrophobicContact CE2-CZ 3.66Å; D156-F183 HydrophobicContact CB-CE2 4.02Å; D156-F183 HydrophobicContact CB-CZ 4.23Å; D156-F183 WeakPolarHBondContact O-CZ 3.41Å; M159-F183 HydrophobicContact CB-CE1 4.24Å; M159-F183 HydrophobicContact CB-CZ 4.09Å; L163-F183 HydrophobicContact CD1-CD1 3.83Å; L163-F183 HydrophobicContact CD1-CE1 3.93Å; N179-F183 WeakPolarHBondContact O-CB 3.16Å; N179-F183 PolarHBondContact O-N 3.47Å; L180-F183 WeakPolarHBondContact O-CB 3.4Å; L180-F183 PolarHBondContact O-N 3.41Å; K181-F183 VanDerWaalsContact C-N 3.25Å; K181-F183 PolarHBondContact O-N 2.95Å; F183-R186 PolarHBondContact O-N 3.4Å; F183-F187 HydrophobicContact CZ-CD2 4.43Å; F183-F187 WeakPolarHBondContact O-CB 3.25Å; F183-F187 PolarHBondContact O-N 3.34Å
184L98.9Very high98.5Very high3 Ų353.2 Ų53.22%0.01628%0.281CS..Hα-helixtrans-58.7-50.6176.5-71.2174.5000111.1Y160 L163 L174 L180 K181 R186 F187 E188Y160-L184 HydrophobicContact CD2-CD2 3.47Å; Y160-L184 VanDerWaalsContact CD2-CD2 3.47Å; Y160-L184 HydrophobicContact CE2-CD2 3.76Å; Y160-L184 HydrophobicContact CG-CD2 4.4Å; L163-L184 HydrophobicContact CB-CD1 4.35Å; L163-L184 HydrophobicContact CB-CD2 3.87Å; L163-L184 HydrophobicContact CB-CG 4.41Å; L174-L184 HydrophobicContact CD1-CD1 3.43Å; L174-L184 VanDerWaalsContact CD1-CD1 3.43Å; L180-L184 PolarHBondContact O-N 3.28Å; K181-L184 WeakPolarHBondContact O-CB 3.36Å; K181-L184 PolarHBondContact O-N 3.08Å; K181-L184 VanDerWaalsContact O-N 3.1Å; L184-R186 VanDerWaalsContact C-N 3.27Å; L184-R186 PolarHBondContact O-N 3.36Å; L184-F187 PolarHBondContact O-N 3.25Å; L184-F187 VanDerWaalsContact O-N 3.13Å; L184-E188 VanDerWaalsContact O-CG 3.32Å; L184-E188 WeakPolarHBondContact O-CG 3.28Å; L184-E188 PolarHBondContact O-N 3.07Å
185D98.8Very high98.5Very high102 Ų10256 Ų5655%0.54530%0.304SS..Hα-helixtrans-58-42.4179.6-62.1-23.1000111.4K181 A189K181-D185 PolarHBondContact O-N 2.95Å; D185-A189 WeakPolarHBondContact O-CB 3.34Å; D185-A189 PolarHBondContact O-N 3.48Å; D185-A189 VanDerWaalsContact O-N 3.15Å
186R98.8Very high98.5Very high101 Ų10151.8 Ų51.838%0.38128%0.282SS..Hα-helixtrans-65.9-40.9178.1-171.9-172.2-42.2-56-4.7112.3W146 A182 F183 L184 A189W146-R186 HydrophobicContact CH2-CB 4.44Å; W146-R186 HydrophobicContact CH2-CG 3.76Å; W146-R186 HydrophobicContact CZ2-CG 4.05Å; W146-R186 HydrophobicContact CZ3-CG 4.39Å; A182-R186 VanDerWaalsContact O-CB 3.23Å; A182-R186 WeakPolarHBondContact O-CB 3.39Å; A182-R186 PolarHBondContact O-N 2.83Å; A182-R186 VanDerWaalsContact O-N 3.08Å; F183-R186 PolarHBondContact O-N 3.4Å; L184-R186 VanDerWaalsContact C-N 3.27Å; L184-R186 PolarHBondContact O-N 3.36Å; R186-A189 PolarHBondContact O-N 3.47Å
187F98.9Very high98.5Very high0 Ų046.5 Ų46.50%025%0.253CS..Hα-helixtrans-68-42.5179.7-170.7-84.4000111.1L19 W146 L152 D156 F157 Y160 F183 L184 A189 L190 V193L19-F187 HydrophobicContact CD1-CE1 4.35Å; L19-F187 HydrophobicContact CD2-CE1 4.38Å; W146-F187 HydrophobicContact CZ3-CB 4.16Å; W146-F187 AromaticContact CZ3-CD2 3.94Å; W146-F187 HydrophobicContact CZ3-CD2 3.94Å; L152-F187 HydrophobicContact CD1-CD2 4.23Å; L152-F187 HydrophobicContact CD1-CE2 4.23Å; D156-F187 HydrophobicContact CB-CD2 4.38Å; D156-F187 HydrophobicContact CB-CE2 4.26Å; F157-F187 HydrophobicContact CB-CZ 4.27Å; F157-F187 HydrophobicContact CD1-CE2 4.07Å; F157-F187 AromaticContact CD1-CZ 3.48Å; F157-F187 HydrophobicContact CD1-CZ 3.48Å; F157-F187 VanDerWaalsContact CD1-CZ 3.48Å; F157-F187 HydrophobicContact CD2-CE2 4.18Å; F157-F187 HydrophobicContact CD2-CZ 4.4Å; F157-F187 HydrophobicContact CE1-CE2 4.18Å; F157-F187 AromaticContact CE1-CZ 3.73Å; F157-F187 HydrophobicContact CE1-CZ 3.73Å; F157-F187 HydrophobicContact CE2-CE2 4.35Å; F157-F187 HydrophobicContact CG-CE2 4.03Å; F157-F187 AromaticContact CG-CZ 3.82Å; F157-F187 HydrophobicContact CG-CZ 3.82Å; F157-F187 HydrophobicContact CZ-CE2 4.34Å; F157-F187 HydrophobicContact CZ-CZ 4.33Å; Y160-F187 AromaticContact CD1-CD1 3.78Å; Y160-F187 HydrophobicContact CD1-CD1 3.78Å; Y160-F187 AromaticContact CD1-CE1 3.53Å; Y160-F187 HydrophobicContact CD1-CE1 3.53Å; Y160-F187 HydrophobicContact CD1-CZ 4.36Å; Y160-F187 HydrophobicContact CD2-CB 3.9Å; Y160-F187 AromaticContact CD2-CD1 3.24Å; Y160-F187 HydrophobicContact CD2-CD1 3.24Å; Y160-F187 AromaticContact CD2-CE1 3.9Å; Y160-F187 HydrophobicContact CD2-CE1 3.9Å; Y160-F187 AromaticContact CD2-CG 3.73Å; Y160-F187 HydrophobicContact CD2-CG 3.73Å; Y160-F187 HydrophobicContact CE1-CD1 4.23Å; Y160-F187 HydrophobicContact CE1-CE1 4.12Å; Y160-F187 AromaticContact CE2-CD1 3.78Å; Y160-F187 HydrophobicContact CE2-CD1 3.78Å; Y160-F187 HydrophobicContact CE2-CE1 4.47Å; Y160-F187 AromaticContact CG-CD1 3.24Å; Y160-F187 HydrophobicContact CG-CD1 3.24Å; Y160-F187 AromaticContact CG-CE1 3.38Å; Y160-F187 HydrophobicContact CG-CE1 3.38Å; Y160-F187 AromaticContact CG-CG 3.88Å; Y160-F187 HydrophobicContact CG-CG 3.88Å; Y160-F187 HydrophobicContact CG-CZ 4.12Å; F183-F187 HydrophobicContact CZ-CD2 4.43Å; F183-F187 WeakPolarHBondContact O-CB 3.25Å; F183-F187 PolarHBondContact O-N 3.34Å; L184-F187 PolarHBondContact O-N 3.25Å; L184-F187 VanDerWaalsContact O-N 3.13Å; F187-A189 PolarHBondContact O-N 3.35Å; F187-L190 HydrophobicContact CD2-CD1 4.07Å; F187-L190 HydrophobicContact CE2-CD1 4.34Å; F187-L190 HydrophobicContact CG-CD1 4.35Å; F187-L190 WeakPolarHBondContact O-CB 3.25Å; F187-L190 WeakPolarHBondContact O-CG 3.26Å; F187-L190 PolarHBondContact O-N 3.2Å; F187-L190 VanDerWaalsContact O-N 3.15Å; F187-V193 HydrophobicContact CD1-CG1 3.97Å; F187-V193 HydrophobicContact CD1-CG2 4.46Å; F187-V193 HydrophobicContact CE1-CG1 3.86Å; F187-V193 HydrophobicContact CE1-CG2 3.93Å; F187-V193 HydrophobicContact CZ-CG2 4.28Å
188E98.8Very high98.5Very high49 Ų4953.6 Ų53.623%0.22928%0.284CS..Hα-helixtrans-66.8-23.3177.7-68.9177.8176.600113.5Y160 R167 L184 L190 S194 L197Y160-E188 HydrophobicContact CE2-CG 3.5Å; Y160-E188 WeakPolarHBondContact CE2-OE1 3.47Å; Y160-E188 WeakPolarHBondContact OH-CG 3.43Å; Y160-E188 PolarHBondContact OH-OE1 2.91Å; R167-E188 IonicContact CZ-OE1 2.82Å; R167-E188 VanDerWaalsContact CZ-OE1 3.25Å; R167-E188 IonicContact NH1-OE1 2.64Å; R167-E188 PolarHBondContact NH1-OE1 2.94Å; R167-E188 IonicContact NH1-OE2 3.03Å; R167-E188 IonicContact NH2-OE1 3.15Å; R167-E188 PolarHBondContact NH2-OE1 2.89Å; L184-E188 VanDerWaalsContact O-CG 3.32Å; L184-E188 WeakPolarHBondContact O-CG 3.28Å; L184-E188 PolarHBondContact O-N 3.07Å; E188-L190 VanDerWaalsContact C-N 3.34Å; E188-S194 WeakPolarHBondContact O-CA 3.34Å; E188-S194 WeakPolarHBondContact O-CB 3.4Å; E188-S194 PolarHBondContact O-OG 3.35Å; E188-L197 HydrophobicContact CB-CD1 4.16Å; E188-L197 HydrophobicContact CG-CD1 3.82Å
189A98.7Very high98.5Very high67 Ų6747.3 Ų47.355%0.55426%0.262SS*.THydrogen-bonded Turntrans-81-8.1175.600000114.1D185 R186 F187 D191D185-A189 WeakPolarHBondContact O-CB 3.34Å; D185-A189 PolarHBondContact O-N 3.48Å; D185-A189 VanDerWaalsContact O-N 3.15Å; R186-A189 PolarHBondContact O-N 3.47Å; F187-A189 PolarHBondContact O-N 3.35Å; A189-D191 PolarHBondContact O-N 3Å
190L98.7Very high98.3Very high32 Ų3253.8 Ų53.817%0.16830%0.297CS..SBendtrans-65.1126.9176.1-65.1171.1000110Y23 W146 L152 F187 E188 G192 V193 S194Y23-L190 HydrophobicContact CD2-CB 4.21Å; Y23-L190 HydrophobicContact CD2-CD1 4.13Å; Y23-L190 HydrophobicContact CE2-CB 4.31Å; Y23-L190 HydrophobicContact CE2-CD1 4.07Å; Y23-L190 HydrophobicContact CE2-CD2 4.23Å; Y23-L190 HydrophobicContact CE2-CG 4.45Å; W146-L190 HydrophobicContact CH2-CD1 3.94Å; W146-L190 HydrophobicContact CH2-CD2 4.16Å; W146-L190 HydrophobicContact CH2-CG 4.21Å; W146-L190 HydrophobicContact CZ2-CD2 4.11Å; L152-L190 HydrophobicContact CD1-CD1 4.24Å; L152-L190 HydrophobicContact CD2-CD1 3.75Å; F187-L190 HydrophobicContact CD2-CD1 4.07Å; F187-L190 HydrophobicContact CE2-CD1 4.34Å; F187-L190 HydrophobicContact CG-CD1 4.35Å; F187-L190 WeakPolarHBondContact O-CB 3.25Å; F187-L190 WeakPolarHBondContact O-CG 3.26Å; F187-L190 PolarHBondContact O-N 3.2Å; F187-L190 VanDerWaalsContact O-N 3.15Å; E188-L190 VanDerWaalsContact C-N 3.34Å; L190-G192 PolarHBondContact O-N 3.42Å; L190-G192 VanDerWaalsContact O-N 3.13Å; L190-V193 HydrophobicContact CB-CB 4.08Å; L190-V193 HydrophobicContact CB-CG2 4.03Å; L190-V193 HydrophobicContact CD1-CG2 4.27Å; L190-V193 CarbonylContact O-C 3.45Å; L190-V193 WeakPolarHBondContact O-CA 3.32Å; L190-V193 WeakPolarHBondContact O-CB 3.42Å; L190-V193 PolarHBondContact O-N 3.29Å; L190-S194 PolarHBondContact O-N 3.47Å
191D97.4Very high98.2Very high136 Ų13660 Ų6073%0.72732%0.324SS*.Hα-helixtrans-44.1-53-171.7-66.4-10.6000114.8A189 A195A189-D191 PolarHBondContact O-N 3Å; D191-A195 VanDerWaalsContact O-CB 3.27Å; D191-A195 WeakPolarHBondContact O-CB 3.44Å; D191-A195 PolarHBondContact O-N 2.65Å
192G96.6Very high98.1Very high8 Ų858.7 Ų58.78%0.08232%0.317CS..Hα-helixtrans-68.8-32.7-179.600000113.7L190 Y196L190-G192 PolarHBondContact O-N 3.42Å; L190-G192 VanDerWaalsContact O-N 3.13Å; G192-Y196 WeakPolarHBondContact O-CB 3.33Å; G192-Y196 PolarHBondContact O-N 2.89Å; G192-Y196 VanDerWaalsContact O-N 3.16Å
193V98.6Very high98Very high0 Ų057.9 Ų57.90%031%0.307CS..Hα-helixtrans-73-49.6175.7175.90000110.1L19 Y23 F187 L190 A195 Y196 L197L19-V193 HydrophobicContact CD2-CG1 3.89Å; Y23-V193 HydrophobicContact CD2-CG2 4.42Å; F187-V193 HydrophobicContact CD1-CG1 3.97Å; F187-V193 HydrophobicContact CD1-CG2 4.46Å; F187-V193 HydrophobicContact CE1-CG1 3.86Å; F187-V193 HydrophobicContact CE1-CG2 3.93Å; F187-V193 HydrophobicContact CZ-CG2 4.28Å; L190-V193 HydrophobicContact CB-CB 4.08Å; L190-V193 HydrophobicContact CB-CG2 4.03Å; L190-V193 HydrophobicContact CD1-CG2 4.27Å; L190-V193 CarbonylContact O-C 3.45Å; L190-V193 WeakPolarHBondContact O-CA 3.32Å; L190-V193 WeakPolarHBondContact O-CB 3.42Å; L190-V193 PolarHBondContact O-N 3.29Å; V193-A195 VanDerWaalsContact C-N 3.29Å; V193-A195 PolarHBondContact O-N 3.3Å; V193-Y196 PolarHBondContact O-N 3.27Å; V193-Y196 VanDerWaalsContact O-N 3.11Å; V193-L197 HydrophobicContact CG1-CD1 3.75Å; V193-L197 HydrophobicContact CG1-CG 4.06Å; V193-L197 VanDerWaalsContact O-CG 3.29Å; V193-L197 WeakPolarHBondContact O-CG 3.49Å; V193-L197 PolarHBondContact O-N 3.06Å
194S98.6Very high97.9Very high26 Ų2663.5 Ų63.518%0.18233%0.332CS..Hα-helixtrans-58.4-42179.5-159.10000111.7E188 L190 K198E188-S194 WeakPolarHBondContact O-CA 3.34Å; E188-S194 WeakPolarHBondContact O-CB 3.4Å; E188-S194 PolarHBondContact O-OG 3.35Å; L190-S194 PolarHBondContact O-N 3.47Å; S194-K198 WeakPolarHBondContact O-CD 3.37Å; S194-K198 VanDerWaalsContact O-CG 3.32Å; S194-K198 WeakPolarHBondContact O-CG 3.2Å; S194-K198 PolarHBondContact O-N 3.49Å; S194-K198 PolarHBondContact OG-NZ 3.49Å; S194-K198 VanDerWaalsContact OG-NZ 3.08Å
195A98.4Very high97.7Very high63 Ų6366.3 Ų66.352%0.52135%0.345SS..Hα-helixtrans-63.2-46175.300000111.5D191 V193 K198 S199D191-A195 VanDerWaalsContact O-CB 3.27Å; D191-A195 WeakPolarHBondContact O-CB 3.44Å; D191-A195 PolarHBondContact O-N 2.65Å; V193-A195 VanDerWaalsContact C-N 3.29Å; V193-A195 PolarHBondContact O-N 3.3Å; A195-K198 PolarHBondContact O-N 3Å; A195-S199 PolarHBondContact O-N 3.2Å
196Y98.4Very high97.6Very high5 Ų561.7 Ų61.72%0.0232%0.32CS..Hα-helixtrans-61.5-50.4177.9171.5-118.8000112.1R18 L19 E22 G192 V193 K198 S199 K201 Y202R18-Y196 HydrophobicContact CB-CE1 4.34Å; R18-Y196 WeakPolarHBondContact CD-OH 3.32Å; L19-Y196 HydrophobicContact CD2-CD1 3.81Å; L19-Y196 HydrophobicContact CD2-CE1 3.99Å; L19-Y196 HydrophobicContact CG-CE1 4.33Å; E22-Y196 HydrophobicContact CB-CD2 4.45Å; E22-Y196 HydrophobicContact CB-CG 4.05Å; E22-Y196 HydrophobicContact CG-CD1 4.32Å; E22-Y196 HydrophobicContact CG-CD2 3.56Å; E22-Y196 HydrophobicContact CG-CE2 4.15Å; E22-Y196 HydrophobicContact CG-CG 3.65Å; G192-Y196 WeakPolarHBondContact O-CB 3.33Å; G192-Y196 PolarHBondContact O-N 2.89Å; G192-Y196 VanDerWaalsContact O-N 3.16Å; V193-Y196 PolarHBondContact O-N 3.27Å; V193-Y196 VanDerWaalsContact O-N 3.11Å; Y196-K198 PolarHBondContact O-N 2.9Å; Y196-S199 WeakPolarHBondContact O-CB 3.42Å; Y196-S199 PolarHBondContact O-N 3.34Å; Y196-S199 PolarHBondContact O-OG 3.26Å; Y196-K201 HydrophobicContact CD2-CB 4.17Å; Y196-K201 HydrophobicContact CE2-CB 3.91Å; Y196-Y202 HydrophobicContact CD1-CD2 4.16Å; Y196-Y202 AromaticContact CE1-CD2 3.51Å; Y196-Y202 HydrophobicContact CE1-CD2 3.51Å; Y196-Y202 HydrophobicContact CE1-CE2 4.22Å; Y196-Y202 HydrophobicContact CE1-CG 4.35Å; Y196-Y202 AromaticContact CZ-CD2 3.77Å; Y196-Y202 WeakPolarHBondContact O-CB 3.22Å
197L98.2Very high97.6Very high37 Ų3757 Ų5719%0.19430%0.303CS..Hα-helixtrans-58.8-23.4-178.4-67.3177.3000113.7L19 E188 V193 Y202L19-L197 HydrophobicContact CD2-CD2 4.28Å; E188-L197 HydrophobicContact CB-CD1 4.16Å; E188-L197 HydrophobicContact CG-CD1 3.82Å; V193-L197 HydrophobicContact CG1-CD1 3.75Å; V193-L197 HydrophobicContact CG1-CG 4.06Å; V193-L197 VanDerWaalsContact O-CG 3.29Å; V193-L197 WeakPolarHBondContact O-CG 3.49Å; V193-L197 PolarHBondContact O-N 3.06Å; L197-Y202 HydrophobicContact CB-CD1 4.5Å; L197-Y202 HydrophobicContact CD2-CD1 4Å; L197-Y202 HydrophobicContact CD2-CD2 3.88Å; L197-Y202 HydrophobicContact CD2-CE1 3.65Å; L197-Y202 HydrophobicContact CD2-CE2 3.54Å; L197-Y202 HydrophobicContact CD2-CG 4.11Å; L197-Y202 VanDerWaalsContact CD2-CZ 3.41Å; L197-Y202 WeakPolarHBondContact O-CD1 3.42Å
198K98.1Very high97.5Very high171 Ų17157.4 Ų57.474%0.74331%0.305SS*.THydrogen-bonded Turntrans-95.5-4.5177.3-66169.5-173.4162.40113.6S194 A195 Y196S194-K198 WeakPolarHBondContact O-CD 3.37Å; S194-K198 VanDerWaalsContact O-CG 3.32Å; S194-K198 WeakPolarHBondContact O-CG 3.2Å; S194-K198 PolarHBondContact O-N 3.49Å; S194-K198 PolarHBondContact OG-NZ 3.49Å; S194-K198 VanDerWaalsContact OG-NZ 3.08Å; A195-K198 PolarHBondContact O-N 3Å; Y196-K198 PolarHBondContact O-N 2.9Å
199S97.6Very high97.4Very high41 Ų4155.6 Ų55.629%0.28730%0.297SS..SBendtrans-95.4158.6-176.176.90000112.3A195 Y196 K201 Y202A195-S199 PolarHBondContact O-N 3.2Å; Y196-S199 WeakPolarHBondContact O-CB 3.42Å; Y196-S199 PolarHBondContact O-N 3.34Å; Y196-S199 PolarHBondContact O-OG 3.26Å; S199-K201 PolarHBondContact O-N 2.8Å; S199-K201 VanDerWaalsContact O-N 3.08Å; S199-K201 PolarHBondContact OG-N 3.23Å; S199-Y202 PolarHBondContact O-N 2.98Å
200D96.1Very high97.3Very high178 Ų17856.4 Ų56.495%0.95229%0.286SS*.THydrogen-bonded Turntrans-65.4-11174.8-58.7-32000113.5Y202D200-Y202 VanDerWaalsContact C-N 3.31Å
201K96Very high97.1Very high131 Ų13157.6 Ų57.657%0.5729%0.291SS*.THydrogen-bonded Turntrans-75.5-20.8173.5-60.5-178.4179.2-179.90112.4E22 Y196 S199 I203E22-K201 IonicContact OE1-NZ 2.69Å; Y196-K201 HydrophobicContact CD2-CB 4.17Å; Y196-K201 HydrophobicContact CE2-CB 3.91Å; S199-K201 PolarHBondContact O-N 2.8Å; S199-K201 VanDerWaalsContact O-N 3.08Å; S199-K201 PolarHBondContact OG-N 3.23Å; K201-I203 PolarHBondContact O-N 3.26Å
202Y97.5Very high97.1Very high43 Ų4351.4 Ų51.417%0.16926%0.259CS..  trans-72.4113.3-174.6177-135000111.8R11 Y196 L197 S199 D200 K204R11-Y202 PolarHBondContact NH1-OH 3.2Å; R11-Y202 VanDerWaalsContact NH1-OH 3.12Å; Y196-Y202 HydrophobicContact CD1-CD2 4.16Å; Y196-Y202 AromaticContact CE1-CD2 3.51Å; Y196-Y202 HydrophobicContact CE1-CD2 3.51Å; Y196-Y202 HydrophobicContact CE1-CE2 4.22Å; Y196-Y202 HydrophobicContact CE1-CG 4.35Å; Y196-Y202 AromaticContact CZ-CD2 3.77Å; Y196-Y202 WeakPolarHBondContact O-CB 3.22Å; L197-Y202 HydrophobicContact CB-CD1 4.5Å; L197-Y202 HydrophobicContact CD2-CD1 4Å; L197-Y202 HydrophobicContact CD2-CD2 3.88Å; L197-Y202 HydrophobicContact CD2-CE1 3.65Å; L197-Y202 HydrophobicContact CD2-CE2 3.54Å; L197-Y202 HydrophobicContact CD2-CG 4.11Å; L197-Y202 VanDerWaalsContact CD2-CZ 3.41Å; L197-Y202 WeakPolarHBondContact O-CD1 3.42Å; S199-Y202 PolarHBondContact O-N 2.98Å; D200-Y202 VanDerWaalsContact C-N 3.31Å; Y202-K204 HydrophobicContact CD1-CB 3.99Å; Y202-K204 HydrophobicContact CE1-CB 3.54Å; Y202-K204 HydrophobicContact CE1-CD 4.37Å; Y202-K204 HydrophobicContact CE1-CG 3.87Å; Y202-K204 PolarHBondContact O-N 3.08Å; Y202-K204 VanDerWaalsContact O-N 3.13Å
203I96.6Very high97.1Very high19 Ų1955.1 Ų55.110%0.09727%0.274CS..  trans-84.985.5171.3-54.8173.4000108.4R11 F32 K201R11-I203 HydrophobicContact CB-CG2 4.18Å; R11-I203 WeakPolarHBondContact CD-O 3.49Å; R11-I203 WeakPolarHBondContact CG-O 3.24Å; F32-I203 HydrophobicContact CE1-CD1 3.66Å; F32-I203 HydrophobicContact CZ-CD1 3.88Å; K201-I203 PolarHBondContact O-N 3.26Å
204K96Very high97Very high122 Ų12257.4 Ų57.453%0.5328%0.282SS..  trans-65.2-47.2171.8-171.8177.6178.2179.70111.1M168 Y202 I207M168-K204 HydrophobicContact CE-CG 4.34Å; Y202-K204 HydrophobicContact CD1-CB 3.99Å; Y202-K204 HydrophobicContact CE1-CB 3.54Å; Y202-K204 HydrophobicContact CE1-CD 4.37Å; Y202-K204 HydrophobicContact CE1-CG 3.87Å; Y202-K204 PolarHBondContact O-N 3.08Å; Y202-K204 VanDerWaalsContact O-N 3.13Å; K204-I207 WeakPolarHBondContact O-CD1 3.44Å
205E95.3Very high96.9Very high61 Ų6156.8 Ų56.829%0.28528%0.278SS..SBendtrans-143.6154.6177.7-72.9-167.994.100110.4M168 S215 V219M168-E205 HydrophobicContact CE-CG 3.49Å; M168-E205 VanDerWaalsContact CE-CG 3.49Å; E205-S215 PolarHBondContact OE1-OG 3.16Å; E205-V219 WeakPolarHBondContact OE2-CG2 3.42Å
206P96.8Very high96.6Very high6 Ų657 Ų574%0.03927%0.268CS..  cis-76.2146.91.532.2-38.1000113V10 R11 N208 S215V10-P206 HydrophobicContact CB-CG 4.16Å; V10-P206 HydrophobicContact CG1-CG 3.87Å; R11-P206 PolarHBondContact N-O 3.27Å; P206-N208 WeakPolarHBondContact CB-O 3.39Å; P206-S215 VanDerWaalsContact CB-O 3.24Å; P206-S215 WeakPolarHBondContact CB-O 3.36Å
207I97.5Very high96.2Very high1 Ų163.6 Ų63.61%0.00530%0.296CS..SBendtrans-70-44.3172-58.2-60.1000110.4R11 G12 M165 M168 K204 W214 S215R11-I207 HydrophobicContact CB-CD1 4.23Å; R11-I207 VanDerWaalsContact CD-CD1 3.41Å; R11-I207 HydrophobicContact CG-CD1 4.43Å; G12-I207 VanDerWaalsContact CA-O 3.29Å; G12-I207 WeakPolarHBondContact CA-O 3.31Å; G12-I207 PolarHBondContact N-O 3.33Å; M165-I207 HydrophobicContact CG-CD1 4.21Å; M165-I207 HydrophobicContact CG-CG2 4.01Å; M165-I207 HydrophobicContact SD-CG2 3.58Å; M165-I207 VanDerWaalsContact SD-CG2 3.58Å; M168-I207 HydrophobicContact CE-CD1 3.96Å; M168-I207 HydrophobicContact CE-CG1 4.19Å; M168-I207 HydrophobicContact SD-CD1 4.1Å; K204-I207 WeakPolarHBondContact O-CD1 3.44Å; I207-W214 HydrophobicContact CB-CZ3 3.99Å; I207-W214 HydrophobicContact CG1-CH2 4.01Å; I207-W214 HydrophobicContact CG1-CZ3 3.86Å; I207-W214 HydrophobicContact CG2-CZ3 4.17Å; I207-S215 WeakPolarHBondContact CG1-OG 3.23Å; I207-S215 PolarHBondContact N-O 3.05Å; I207-S215 VanDerWaalsContact N-O 3.11Å; I207-S215 PolarHBondContact N-OG 3.03Å
208N97.8Very high95.1Very high10 Ų1067.7 Ų67.75%0.05331%0.313CS..SBendtrans-111167.8-174-66.7-55.8000111.9Y116 P206 A212 W214 S215Y116-N208 HydrophobicContact CE2-CB 4.01Å; Y116-N208 WeakPolarHBondContact CE2-OD1 3.46Å; P206-N208 WeakPolarHBondContact CB-O 3.39Å; N208-A212 HydrophobicContact CB-CB 3.4Å; N208-A212 VanDerWaalsContact CB-CB 3.4Å; N208-W214 PolarHBondContact ND2-O 2.93Å; N208-S215 PolarHBondContact N-O 3.01Å
209N96.3Very high93.6Very high11 Ų1164.6 Ų64.66%0.05931%0.308CS..  trans-81.9168.6177.7-147.2-41.1000111.3V10 V35 Y116 M211 A212 F216V10-N209 HydrophobicContact CG1-CB 4.49Å; V35-N209 VanDerWaalsContact CB-OD1 3.31Å; V35-N209 WeakPolarHBondContact CB-OD1 3.27Å; V35-N209 WeakPolarHBondContact CG2-ND2 3.35Å; V35-N209 WeakPolarHBondContact CG2-OD1 3.23Å; Y116-N209 WeakPolarHBondContact OH-CB 3.42Å; Y116-N209 PolarHBondContact OH-N 2.86Å; N209-M211 HydrophobicContact CB-CE 3.86Å; N209-M211 HydrophobicContact CB-SD 4.48Å; N209-M211 PolarHBondContact O-N 3.23Å; N209-A212 WeakPolarHBondContact O-CB 3.38Å; N209-A212 PolarHBondContact O-N 3.23Å; N209-F216 VanDerWaalsContact O-CB 3.29Å; N209-F216 WeakPolarHBondContact O-CB 2.97Å
210R95.9Very high91.1Very high84 Ų8475.7 Ų75.732%0.31735%0.351SS..THydrogen-bonded Turntrans-57.7-17.8-170.5-62.2-170.8-175.2-176.911.5115.1V35 D37 F41V35-R210 VanDerWaalsContact O-CD 3.32Å; V35-R210 WeakPolarHBondContact O-CD 3.42Å; V35-R210 PolarHBondContact O-NE 3.3Å; V35-R210 PolarHBondContact O-NH1 3.01Å; V35-R210 PolarHBondContact O-NH2 3.16Å; D37-R210 IonicContact OD1-CZ 3.32Å; D37-R210 IonicContact OD1-NH1 2.92Å; D37-R210 PolarHBondContact OD1-NH1 3.45Å; D37-R210 IonicContact OD2-NH1 2.77Å; D37-R210 PolarHBondContact OD2-NH1 2.88Å; F41-R210 HydrophobicContact CD1-CB 4.06Å; F41-R210 HydrophobicContact CE1-CB 3.97Å; F41-R210 WeakPolarHBondContact CE1-O 3.49Å
211M95.3Very high90.8Very high56 Ų5670.6 Ų70.628%0.27632%0.321SS..THydrogen-bonded Turntrans-84.6-9.4177.1-52.479.857.900113.9V35 F41 Y116 N209V35-M211 HydrophobicContact CG1-SD 3.8Å; F41-M211 HydrophobicContact CB-CG 4.21Å; F41-M211 HydrophobicContact CB-SD 4.16Å; F41-M211 HydrophobicContact CD1-CG 3.73Å; F41-M211 HydrophobicContact CD1-SD 3.94Å; F41-M211 HydrophobicContact CD2-CG 3.97Å; F41-M211 HydrophobicContact CE1-CG 3.98Å; F41-M211 HydrophobicContact CE2-CG 4.22Å; F41-M211 HydrophobicContact CG-CG 3.71Å; F41-M211 HydrophobicContact CG-SD 4.12Å; F41-M211 HydrophobicContact CZ-CG 4.21Å; Y116-M211 HydrophobicContact CD1-CB 4.36Å; Y116-M211 HydrophobicContact CE1-CB 4.25Å; Y116-M211 HydrophobicContact CE1-CE 4.26Å; N209-M211 HydrophobicContact CB-CE 3.86Å; N209-M211 HydrophobicContact CB-SD 4.48Å; N209-M211 PolarHBondContact O-N 3.23Å
212A97.3Very high90.6Very high6 Ų667.4 Ų67.45%0.0531%0.308CS..SBendtrans-78.9160.2178.300000111.9Y116 N208 N209 F216Y116-A212 HydrophobicContact CD1-CB 4.02Å; Y116-A212 HydrophobicContact CD2-CB 4.09Å; Y116-A212 HydrophobicContact CE1-CB 3.79Å; Y116-A212 HydrophobicContact CE2-CB 3.88Å; Y116-A212 HydrophobicContact CG-CB 4.19Å; N208-A212 HydrophobicContact CB-CB 3.4Å; N208-A212 VanDerWaalsContact CB-CB 3.4Å; N209-A212 WeakPolarHBondContact O-CB 3.38Å; N209-A212 PolarHBondContact O-N 3.23Å; A212-F216 HydrophobicContact CB-CB 4.32Å; A212-F216 WeakPolarHBondContact O-CD1 3.33Å; A212-F216 WeakPolarHBondContact O-CG 3.41Å
213Q97Very high90.2Very high86 Ų8668.7 Ų68.740%0.40232%0.316SS..SBendtrans-92.8-10.9177.6-59176.619.800112.2C115 V117 L119C115-Q213 PolarHBondContact O-N 3.42Å; V117-Q213 PolarHBondContact O-NE2 3.41Å; L119-Q213 HydrophobicContact CB-CB 3.81Å; L119-Q213 HydrophobicContact CD2-CB 4.05Å
214W97.3Very high89.8Confident48 Ų4871.6 Ų71.618%0.18233%0.328CS..SBendtrans-134.8137.6177.7-177.480.3000112.8F111 L119 M168 F169 I207 N208 F216F111-W214 HydrophobicContact CE1-CE3 4.19Å; F111-W214 AromaticContact CE1-CZ3 3.84Å; F111-W214 HydrophobicContact CE1-CZ3 3.84Å; F111-W214 AromaticContact CZ-CE3 3.73Å; F111-W214 HydrophobicContact CZ-CE3 3.73Å; F111-W214 HydrophobicContact CZ-CH2 4.17Å; F111-W214 AromaticContact CZ-CZ3 3.49Å; F111-W214 HydrophobicContact CZ-CZ3 3.49Å; F111-W214 VanDerWaalsContact CZ-CZ3 3.49Å; L119-W214 HydrophobicContact CD1-CB 4.45Å; L119-W214 HydrophobicContact CD2-CB 3.9Å; M168-W214 HydrophobicContact CB-CH2 4.16Å; M168-W214 HydrophobicContact CB-CZ2 4.34Å; F169-W214 HydrophobicContact CB-CH2 4Å; F169-W214 HydrophobicContact CB-CZ2 3.87Å; F169-W214 AromaticContact CD2-CD2 3.74Å; F169-W214 HydrophobicContact CD2-CD2 3.74Å; F169-W214 AromaticContact CD2-CE2 3.59Å; F169-W214 HydrophobicContact CD2-CE3 4.25Å; F169-W214 HydrophobicContact CD2-CG 4.05Å; F169-W214 HydrophobicContact CD2-CH2 4.47Å; F169-W214 AromaticContact CD2-CZ2 3.99Å; F169-W214 HydrophobicContact CD2-CZ2 3.99Å; F169-W214 AromaticContact CD2-NE1 3.75Å; F169-W214 HydrophobicContact CE2-CD2 4.31Å; F169-W214 HydrophobicContact CE2-CG 4.17Å; F169-W214 HydrophobicContact CG-CZ2 4.46Å; I207-W214 HydrophobicContact CB-CZ3 3.99Å; I207-W214 HydrophobicContact CG1-CH2 4.01Å; I207-W214 HydrophobicContact CG1-CZ3 3.86Å; I207-W214 HydrophobicContact CG2-CZ3 4.17Å; N208-W214 PolarHBondContact ND2-O 2.93Å; W214-F216 PolarHBondContact O-N 2.94Å
215S95.7Very high89.4Confident14 Ų1468.5 Ų68.510%0.09832%0.316CS..SBendtrans45.260.6-179.3-1690000113.3E205 P206 I207 N208E205-S215 PolarHBondContact OE1-OG 3.16Å; P206-S215 VanDerWaalsContact CB-O 3.24Å; P206-S215 WeakPolarHBondContact CB-O 3.36Å; I207-S215 WeakPolarHBondContact CG1-OG 3.23Å; I207-S215 PolarHBondContact N-O 3.05Å; I207-S215 VanDerWaalsContact N-O 3.11Å; I207-S215 PolarHBondContact N-OG 3.03Å; N208-S215 PolarHBondContact N-O 3.01Å
216F92.9Very high89Confident68 Ų6869 Ų6930%0.29832%0.318SS..  trans-115.6-0.9-178.566.5-89.5000114N209 A212 W214N209-F216 VanDerWaalsContact O-CB 3.29Å; N209-F216 WeakPolarHBondContact O-CB 2.97Å; A212-F216 HydrophobicContact CB-CB 4.32Å; A212-F216 WeakPolarHBondContact O-CD1 3.33Å; A212-F216 WeakPolarHBondContact O-CG 3.41Å; W214-F216 PolarHBondContact O-N 2.94Å
217K88Confident88.4Confident142 Ų14273.5 Ų73.562%0.61734%0.338SS*.SBendtrans-118.5145.4177.1-61.7-174.4-178179.30109.9V219K217-V219 PolarHBondContact O-N 2.99Å
218K76.3Confident87.8Confident123 Ų12379.1 Ų79.154%0.53536%0.363SS..  trans-66122.9166.2-70.6-176.3178.5-176.90107.8D9D9-K218 VanDerWaalsContact CG-NZ 3.27Å; D9-K218 IonicContact OD1-NZ 2.57Å; D9-K218 PolarHBondContact OD1-NZ 3.4Å; D9-K218 IonicContact OD2-NZ 3.91Å; D9-K218 PolarHBondContact OD2-NZ 2.9Å
219V65.8Low86.9Confident107 Ų10784.8 Ų84.865%0.64839%0.389SS*.  trans-74.3124.5169.1-1760000106.4E205 K217E205-V219 WeakPolarHBondContact OE2-CG2 3.42Å; K217-V219 PolarHBondContact O-N 2.99Å
220K45.2Very low86.1Confident273 Ų27391.5 Ų91.5100%1.18742%0.419SS*.  trans-73.40176.5-76.5-173.3177.2-177.50110.9

Retrieved 220 of 220 residues in 702.3 ms (Link to these results)

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