A0A077ZBS8_TRITR Loading...

Pyruvate formate-lyase activating enzyme

AlphaFold DB , UniProt , Accession A0A077ZBS8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 261 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
1M44.2Very low71.6Confident237 Ų237117.5 Ų117.5100%1.16767%0.667SS**  0112.70-70.7172.4178.600106.7T3M1-T3 PolarHBondContact O-N 3.16Å; M1-T3 VanDerWaalsContact O-N 3.16Å
2S45.4Very low73.9Confident116 Ų116110.7 Ų110.781%0.81163%0.627SS**  trans-68.6108.4174.5172.40000107V4S2-V4 PolarHBondContact O-N 2.96Å; S2-V4 VanDerWaalsContact O-N 3.11Å
3T50.9Low75.8Confident126 Ų126102.2 Ų102.277%0.77358%0.579SS**  trans-64.6107.8167.648.90000106.1M1 A5M1-T3 PolarHBondContact O-N 3.16Å; M1-T3 VanDerWaalsContact O-N 3.16Å; T3-A5 PolarHBondContact O-N 3.11Å
4V51.6Low77.4Confident135 Ų13598.3 Ų98.382%0.81855%0.553SS**  trans-57.2110.7168.4-176.40000105.1S2 E6S2-V4 PolarHBondContact O-N 2.96Å; S2-V4 VanDerWaalsContact O-N 3.11Å; V4-E6 PolarHBondContact O-N 3.01Å
5A60.2Low78.7Confident88 Ų8894.1 Ų94.173%0.72753%0.533SS*.  trans-58.5115176.900000106.9T3 Q7T3-A5 PolarHBondContact O-N 3.11Å; A5-Q7 PolarHBondContact O-N 3.29Å
6E72.1Confident79.9Confident187 Ų18791 Ų9187%0.87451%0.514SS*.PPolyproline II helixtrans-56128.8179.3-134.9169.6-168.900107.8V4V4-E6 PolarHBondContact O-N 3.01Å
7Q80.7Confident80.9Confident178 Ų17890.7 Ų90.783%0.83251%0.507SS*.PPolyproline II helixtrans-60.1135-179.6-79.1-167.8-7.500109A5 I9A5-Q7 PolarHBondContact O-N 3.29Å; Q7-I9 PolarHBondContact O-N 3.46Å
8P90.5Very high81.7Confident84 Ų8487.6 Ų87.655%0.54549%0.492SS..PPolyproline II helixtrans-62.1139.7-178.725.3-33.1000109.9V10 T60P8-V10 PolarHBondContact O-N 3.37Å; P8-T60 HydrophobicContact CB-CG2 3.96Å; P8-T60 HydrophobicContact CG-CG2 4.21Å
9I96.6Very high82.3Confident74 Ų7487.6 Ų87.638%0.37949%0.487SS..PPolyproline II helixtrans-66.1128.1174.4-59.2171.7000108.1Q7 D93 F94 D97Q7-I9 PolarHBondContact O-N 3.46Å; I9-D93 HydrophobicContact CG2-CB 4.33Å; I9-F94 HydrophobicContact CG2-CB 3.96Å; I9-F94 HydrophobicContact CG2-CD2 4.28Å; I9-D97 HydrophobicContact CD1-CB 4.23Å
10V97.5Very high82.9Confident67 Ų6783.3 Ų83.341%0.40646%0.463SS..EExtended strand (participates in β ladder)trans-112.4130.2-177.1176.10000109.7P8 K58 R59 T60P8-V10 PolarHBondContact O-N 3.37Å; V10-K58 HydrophobicContact CG1-CB 3.59Å; V10-K58 HydrophobicContact CG1-CD 4.41Å; V10-K58 HydrophobicContact CG1-CG 3.96Å; V10-R59 WeakPolarHBondContact CA-O 3.14Å; V10-T60 HydrophobicContact CG2-CG2 4.31Å
11G98.2Very high83.3Confident0 Ų083.6 Ų83.60%047%0.471CS..EExtended strand (participates in β ladder)trans-93.3141.7169.700000111.2K58 R59 F94G11-K58 WeakPolarHBondContact O-CA 3.48Å; G11-R59 PolarHBondContact N-O 3.22Å; G11-R59 PolarHBondContact O-N 2.82Å; G11-F94 VanDerWaalsContact N-CE2 3.29Å
12N98.4Very high85.4Confident36 Ų3677 Ų7719%0.19344%0.443CS..EExtended strand (participates in β ladder)trans-87.6109166.3-67-38.3000108.3Q34 A56 Q91N12-Q34 HydrophobicContact CB-CB 4.09Å; N12-Q34 WeakPolarHBondContact O-CB 3.28Å; N12-Q34 PolarHBondContact O-N 2.91Å; N12-A56 HydrophobicContact CB-CB 3.96Å; N12-Q91 PolarHBondContact O-NE2 3.14Å
13I98.4Very high87.7Confident0 Ų072.3 Ų72.30%041%0.41CS..EExtended strand (participates in β ladder)trans-107.9131.3-174.4-47-52.7000109.5S15 I16 V31 F32 M33 K57 R59 L64 F94I13-S15 WeakPolarHBondContact CG2-O 3.44Å; I13-I16 HydrophobicContact CG2-CG1 4.32Å; I13-V31 HydrophobicContact CD1-CG1 3.66Å; I13-V31 HydrophobicContact CG1-CG1 4.32Å; I13-V31 HydrophobicContact CG2-CG1 3.89Å; I13-F32 WeakPolarHBondContact CG2-O 3.39Å; I13-M33 HydrophobicContact CD1-CE 3.8Å; I13-M33 HydrophobicContact CD1-SD 3.28Å; I13-M33 WeakPolarHBondContact CD1-SD 3.01Å; I13-K57 HydrophobicContact CB-CB 4.48Å; I13-K57 PolarHBondContact N-O 3.36Å; I13-K57 PolarHBondContact O-N 3.47Å; I13-R59 HydrophobicContact CB-CG 4.27Å; I13-R59 HydrophobicContact CG1-CB 3.74Å; I13-R59 HydrophobicContact CG1-CG 3.75Å; I13-L64 HydrophobicContact CD1-CD1 4.37Å; I13-F94 HydrophobicContact CD1-CE1 3.92Å; I13-F94 HydrophobicContact CD1-CZ 4.18Å
14H98.4Very high89.8Confident48 Ų4866.7 Ų66.722%0.22238%0.376CS..EExtended strand (participates in β ladder)trans-73.7-60.2170.5171.1-92.5000110.2F32 D47 T48H14-F32 HydrophobicContact CB-CB 4.4Å; H14-F32 WeakPolarHBondContact CB-O 3.44Å; H14-F32 PolarHBondContact N-O 2.83Å; H14-D47 IonicContact CE1-OD2 2.82Å; H14-D47 IonicContact NE2-OD2 3.12Å; H14-D47 PolarHBondContact NE2-OD2 2.85Å; H14-D47 VanDerWaalsContact NE2-OD2 3.1Å; H14-T48 HydrophobicContact CB-CG2 4.04Å
15S97.9Very high91.7Very high35 Ų3561.2 Ų61.225%0.24534%0.344CS..EExtended strand (participates in β ladder)trans-154172.6-175.860.50000111.6I13 F32I13-S15 WeakPolarHBondContact CG2-O 3.44Å; S15-F32 PolarHBondContact N-O 2.92Å; S15-F32 PolarHBondContact O-N 2.86Å; S15-F32 VanDerWaalsContact OG-CD2 3.32Å; S15-F32 WeakPolarHBondContact OG-CD2 3.36Å
16I97.9Very high93.3Very high45 Ų4558.9 Ų58.923%0.23133%0.328CS..EExtended strand (participates in β ladder)trans-129.2142.9174.7-67.3167.4000107.1I13 F29 I30 L64I13-I16 HydrophobicContact CG2-CG1 4.32Å; I16-F29 HydrophobicContact CB-CZ 4.41Å; I16-F29 HydrophobicContact CD1-CZ 4.08Å; I16-F29 HydrophobicContact CG1-CZ 4.38Å; I16-F29 HydrophobicContact CG2-CD1 4.44Å; I16-F29 HydrophobicContact CG2-CD2 4.15Å; I16-F29 HydrophobicContact CG2-CE1 3.77Å; I16-F29 HydrophobicContact CG2-CE2 3.41Å; I16-F29 VanDerWaalsContact CG2-CE2 3.41Å; I16-F29 HydrophobicContact CG2-CZ 3.21Å; I16-I30 CarbonylContact C-O 3.51Å; I16-I30 VanDerWaalsContact CA-O 3.27Å; I16-I30 WeakPolarHBondContact CA-O 3.29Å; I16-L64 HydrophobicContact CD1-CD2 3.49Å; I16-L64 VanDerWaalsContact CD1-CD2 3.49Å; I16-L64 HydrophobicContact CG1-CD2 4.27Å
17E96.8Very high94.5Very high86 Ų8651.8 Ų51.840%0.40230%0.297SS..EExtended strand (participates in β ladder)trans-125.8121.5167.6179.3173.917000109.2F29 I30 F32E17-F29 CarbonylContact O-C 3.6Å; E17-I30 HydrophobicContact CB-CB 4.3Å; E17-I30 HydrophobicContact CB-CD1 4.22Å; E17-I30 HydrophobicContact CG-CD1 4.36Å; E17-I30 PolarHBondContact N-O 3.12Å; E17-I30 PolarHBondContact O-N 2.58Å; E17-F32 HydrophobicContact CB-CE2 3.75Å
18S95.3Very high95.3Very high34 Ų3443.3 Ų43.324%0.23826%0.258CS..EExtended strand (participates in β ladder)trans-82.8-13.2-172.345.70000114.3
19F93.4Very high95.7Very high89 Ų8939.4 Ų39.439%0.3923%0.232SC..EExtended strand (participates in β ladder)trans-136.648.3-171.6-77.7-88.9000113.3S21 V27 Y71 Y74F19-S21 PolarHBondContact O-N 2.93Å; F19-V27 HydrophobicContact CD1-CG1 3.81Å; F19-V27 HydrophobicContact CG-CG1 4.48Å; F19-Y71 HydrophobicContact CD2-CD1 4.28Å; F19-Y71 AromaticContact CE2-CD1 3.46Å; F19-Y71 HydrophobicContact CE2-CD1 3.46Å; F19-Y71 VanDerWaalsContact CE2-CD1 3.46Å; F19-Y71 AromaticContact CE2-CE1 3.76Å; F19-Y71 HydrophobicContact CE2-CE1 3.76Å; F19-Y71 AromaticContact CZ-CD1 3.95Å; F19-Y71 HydrophobicContact CZ-CD1 3.95Å; F19-Y74 VanDerWaalsContact CE1-CB 3.45Å; F19-Y74 AromaticContact CE1-CD1 3.58Å; F19-Y74 HydrophobicContact CE1-CD1 3.58Å; F19-Y74 AromaticContact CE1-CD2 3.78Å; F19-Y74 HydrophobicContact CE1-CD2 3.78Å; F19-Y74 HydrophobicContact CE1-CE1 4.21Å; F19-Y74 HydrophobicContact CE1-CE2 4.39Å; F19-Y74 AromaticContact CE1-CG 3.32Å; F19-Y74 HydrophobicContact CE1-CG 3.32Å; F19-Y74 AromaticContact CZ-CD1 3.87Å; F19-Y74 HydrophobicContact CZ-CD1 3.87Å; F19-Y74 AromaticContact CZ-CD2 3.42Å; F19-Y74 HydrophobicContact CZ-CD2 3.42Å; F19-Y74 VanDerWaalsContact CZ-CD2 3.42Å; F19-Y74 HydrophobicContact CZ-CE1 4.13Å; F19-Y74 AromaticContact CZ-CE2 3.72Å; F19-Y74 HydrophobicContact CZ-CE2 3.72Å; F19-Y74 AromaticContact CZ-CG 3.49Å; F19-Y74 HydrophobicContact CZ-CG 3.49Å; F19-Y74 VanDerWaalsContact CZ-CG 3.49Å
20G93.5Very high95.7Very high0 Ų035.9 Ų35.90%021%0.214CC..EExtended strand (participates in β ladder)trans-66.5130.3172.400000112.3V27 R28G20-V27 CarbonylContact O-C 3.55Å; G20-V27 WeakPolarHBondContact O-CA 3.22Å; G20-R28 PolarHBondContact N-O 3.11Å; G20-R28 PolarHBondContact O-N 2.69Å
21S90.7Very high95.8Very high91 Ų9132.7 Ų32.764%0.63620%0.195SC*.SBendtrans-118.3-6.7177.960.10000114.4F19F19-S21 PolarHBondContact O-N 2.93Å
22V88.8Confident95.8Very high97 Ų9734 Ų3459%0.58820%0.2SC*.SBendtrans-117.80.9-178.3-620000113.1
23D94Very high95.8Very high19 Ų1932.2 Ų32.210%0.10219%0.191CC..SBendtrans-105.232.7-171.8-54.8-85.4000112R28 I30 T82 L139D23-R28 VanDerWaalsContact O-CD 3.31Å; D23-R28 WeakPolarHBondContact O-CD 3.45Å; D23-I30 HydrophobicContact CB-CD1 3.62Å; D23-I30 HydrophobicContact CB-CG1 3.98Å; D23-I30 WeakPolarHBondContact OD2-CD1 3.11Å; D23-T82 HydrophobicContact CB-CG2 4.26Å; D23-T82 WeakPolarHBondContact O-CG2 3.34Å; D23-T82 PolarHBondContact O-OG1 3.43Å; D23-L139 VanDerWaalsContact C-CD1 3.44Å; D23-L139 WeakPolarHBondContact O-CD1 3.45Å
24G94Very high95.8Very high7 Ų732.4 Ų32.47%0.07219%0.192CC..SBendtrans132.1-168.4177.600000112.2
25P93.2Very high95.9Very high21 Ų2130.1 Ų30.114%0.13618%0.181CC..SBendtrans-74.5138.8-178.529.7-34.1000111.2R28 K78 G79 L137 W176P25-R28 WeakPolarHBondContact O-CD 3.31Å; P25-R28 PolarHBondContact O-NH1 3.41Å; P25-K78 HydrophobicContact CB-CB 3.96Å; P25-K78 HydrophobicContact CB-CD 4.48Å; P25-K78 CarbonylContact O-C 3.6Å; P25-G79 WeakPolarHBondContact O-CA 3.22Å; P25-L137 VanDerWaalsContact CD-CD2 3.48Å; P25-L137 HydrophobicContact CG-CD2 4.15Å; P25-W176 HydrophobicContact CB-CH2 4.03Å; P25-W176 HydrophobicContact CB-CZ2 4.33Å; P25-W176 HydrophobicContact CG-CH2 4.47Å
26G93.1Very high95.9Very high38 Ų3829 Ų2939%0.39217%0.173SC..SBendtrans69.8-163.1178.700000113.6
27V96.4Very high95.9Very high39 Ų3933.8 Ų33.824%0.23619%0.188CC..SBendtrans-87.5135.1171.9176.40000108.8F19 G20 Y74 W75 G79 G80F19-V27 HydrophobicContact CD1-CG1 3.81Å; F19-V27 HydrophobicContact CG-CG1 4.48Å; G20-V27 CarbonylContact O-C 3.55Å; G20-V27 WeakPolarHBondContact O-CA 3.22Å; V27-Y74 WeakPolarHBondContact CB-O 3.34Å; V27-W75 WeakPolarHBondContact O-CA 3.18Å; V27-G79 WeakPolarHBondContact O-CA 3.45Å; V27-G80 PolarHBondContact O-N 2.79Å
28R98Very high95.9Very high0 Ų029.8 Ų29.80%017%0.17CC..EExtended strand (participates in β ladder)trans-129.6142.9-171.3-51-166.471.688.1-1.7112.6G20 D23 P25 K78 G80 I81 T82 N108 T110G20-R28 PolarHBondContact N-O 3.11Å; G20-R28 PolarHBondContact O-N 2.69Å; D23-R28 VanDerWaalsContact O-CD 3.31Å; D23-R28 WeakPolarHBondContact O-CD 3.45Å; P25-R28 WeakPolarHBondContact O-CD 3.31Å; P25-R28 PolarHBondContact O-NH1 3.41Å; R28-K78 PolarHBondContact NH1-O 3.47Å; R28-G80 CarbonylContact C-O 3.6Å; R28-G80 VanDerWaalsContact CA-O 3.23Å; R28-G80 WeakPolarHBondContact CA-O 3.25Å; R28-I81 PolarHBondContact NH2-O 3.24Å; R28-T82 WeakPolarHBondContact CD-OG1 3.47Å; R28-T82 PolarHBondContact NE-OG1 2.82Å; R28-N108 PolarHBondContact NH1-OD1 2.94Å; R28-N108 PolarHBondContact NH2-O 2.86Å; R28-N108 VanDerWaalsContact NH2-O 3.16Å; R28-N108 PolarHBondContact NH2-OD1 3.03Å; R28-T110 PolarHBondContact NH2-OG1 2.96Å
29F98.4Very high96Very high1 Ų133.5 Ų33.50%0.00418%0.179CC..EExtended strand (participates in β ladder)trans-83.8111.8164.4-176.5-88.5000108.2I16 E17 V31 E67 A68 Y71 W75 G80 I81 T82I16-F29 HydrophobicContact CB-CZ 4.41Å; I16-F29 HydrophobicContact CD1-CZ 4.08Å; I16-F29 HydrophobicContact CG1-CZ 4.38Å; I16-F29 HydrophobicContact CG2-CD1 4.44Å; I16-F29 HydrophobicContact CG2-CD2 4.15Å; I16-F29 HydrophobicContact CG2-CE1 3.77Å; I16-F29 HydrophobicContact CG2-CE2 3.41Å; I16-F29 VanDerWaalsContact CG2-CE2 3.41Å; I16-F29 HydrophobicContact CG2-CZ 3.21Å; E17-F29 CarbonylContact O-C 3.6Å; F29-V31 HydrophobicContact CD1-CG2 3.96Å; F29-V31 HydrophobicContact CE1-CG2 3.74Å; F29-E67 HydrophobicContact CE2-CG 4.09Å; F29-E67 HydrophobicContact CZ-CB 4.18Å; F29-E67 HydrophobicContact CZ-CG 4.05Å; F29-A68 HydrophobicContact CB-CB 4.11Å; F29-A68 HydrophobicContact CD1-CB 3.62Å; F29-A68 HydrophobicContact CD2-CB 3.92Å; F29-A68 HydrophobicContact CE1-CB 3.87Å; F29-A68 HydrophobicContact CE2-CB 4.15Å; F29-A68 HydrophobicContact CG-CB 3.62Å; F29-A68 HydrophobicContact CZ-CB 4.1Å; F29-Y71 AromaticContact CD2-CD2 3.97Å; F29-Y71 HydrophobicContact CD2-CD2 3.97Å; F29-Y71 HydrophobicContact CD2-CE2 4.46Å; F29-Y71 HydrophobicContact CE2-CD2 4.12Å; F29-Y71 HydrophobicContact CE2-CE2 4.22Å; F29-W75 HydrophobicContact CB-CZ2 3.93Å; F29-G80 PolarHBondContact N-O 3.48Å; F29-I81 HydrophobicContact CB-CG1 4.28Å; F29-I81 HydrophobicContact CD1-CG1 4.46Å; F29-I81 VanDerWaalsContact O-CA 3.31Å; F29-I81 WeakPolarHBondContact O-CA 3.31Å; F29-T82 PolarHBondContact O-N 3.08Å
30I98.5Very high96.3Very high0 Ų029.8 Ų29.80%016%0.164CC..EExtended strand (participates in β ladder)trans-99128.5-175-48.5162.7000109.4I16 E17 D23 F32 T82I16-I30 CarbonylContact C-O 3.51Å; I16-I30 VanDerWaalsContact CA-O 3.27Å; I16-I30 WeakPolarHBondContact CA-O 3.29Å; E17-I30 HydrophobicContact CB-CB 4.3Å; E17-I30 HydrophobicContact CB-CD1 4.22Å; E17-I30 HydrophobicContact CG-CD1 4.36Å; E17-I30 PolarHBondContact N-O 3.12Å; E17-I30 PolarHBondContact O-N 2.58Å; D23-I30 HydrophobicContact CB-CD1 3.62Å; D23-I30 HydrophobicContact CB-CG1 3.98Å; D23-I30 WeakPolarHBondContact OD2-CD1 3.11Å; I30-F32 HydrophobicContact CB-CD2 4.5Å; I30-F32 HydrophobicContact CB-CE2 3.95Å; I30-F32 HydrophobicContact CB-CZ 4.11Å; I30-F32 HydrophobicContact CD1-CE2 4.45Å; I30-F32 HydrophobicContact CD1-CZ 4.07Å; I30-F32 HydrophobicContact CG2-CD1 4.14Å; I30-F32 HydrophobicContact CG2-CD2 4.04Å; I30-F32 HydrophobicContact CG2-CE1 3.79Å; I30-F32 HydrophobicContact CG2-CE2 3.68Å; I30-F32 HydrophobicContact CG2-CG 4.28Å; I30-F32 HydrophobicContact CG2-CZ 3.56Å; I30-T82 CarbonylContact C-O 3.55Å; I30-T82 VanDerWaalsContact CA-O 3.3Å; I30-T82 WeakPolarHBondContact CA-O 3.4Å; I30-T82 HydrophobicContact CG2-CG2 4.39Å
31V98.6Very high96.5Very high1 Ų131.6 Ų31.61%0.00617%0.172CC..EExtended strand (participates in β ladder)trans-105.6109.7171.7-177.80000107.6I13 F29 M33 L64 T82 V83 S84I13-V31 HydrophobicContact CD1-CG1 3.66Å; I13-V31 HydrophobicContact CG1-CG1 4.32Å; I13-V31 HydrophobicContact CG2-CG1 3.89Å; F29-V31 HydrophobicContact CD1-CG2 3.96Å; F29-V31 HydrophobicContact CE1-CG2 3.74Å; V31-M33 HydrophobicContact CG1-SD 3.9Å; V31-M33 PolarHBondContact O-N 2.99Å; V31-L64 HydrophobicContact CG1-CD1 3.77Å; V31-L64 HydrophobicContact CG2-CD1 3.96Å; V31-L64 HydrophobicContact CG2-CD2 4.47Å; V31-T82 PolarHBondContact N-O 3.21Å; V31-V83 HydrophobicContact CB-CG1 4.46Å; V31-V83 HydrophobicContact CB-CG2 4.31Å; V31-V83 WeakPolarHBondContact O-CA 3.31Å; V31-S84 PolarHBondContact O-N 2.97Å
32F98.6Very high96.8Very high26 Ų2627.8 Ų27.811%0.11414%0.144CC..EExtended strand (participates in β ladder)trans-88.2106.2176.3-63.2-82.4000109.2I13 H14 S15 E17 I30 S84I13-F32 WeakPolarHBondContact CG2-O 3.39Å; H14-F32 HydrophobicContact CB-CB 4.4Å; H14-F32 WeakPolarHBondContact CB-O 3.44Å; H14-F32 PolarHBondContact N-O 2.83Å; S15-F32 PolarHBondContact N-O 2.92Å; S15-F32 PolarHBondContact O-N 2.86Å; S15-F32 VanDerWaalsContact OG-CD2 3.32Å; S15-F32 WeakPolarHBondContact OG-CD2 3.36Å; E17-F32 HydrophobicContact CB-CE2 3.75Å; I30-F32 HydrophobicContact CB-CD2 4.5Å; I30-F32 HydrophobicContact CB-CE2 3.95Å; I30-F32 HydrophobicContact CB-CZ 4.11Å; I30-F32 HydrophobicContact CD1-CE2 4.45Å; I30-F32 HydrophobicContact CD1-CZ 4.07Å; I30-F32 HydrophobicContact CG2-CD1 4.14Å; I30-F32 HydrophobicContact CG2-CD2 4.04Å; I30-F32 HydrophobicContact CG2-CE1 3.79Å; I30-F32 HydrophobicContact CG2-CE2 3.68Å; I30-F32 HydrophobicContact CG2-CG 4.28Å; I30-F32 HydrophobicContact CG2-CZ 3.56Å; F32-S84 CarbonylContact C-O 3.48Å
33M98.6Very high97.2Very high0 Ų024.2 Ų24.20%012%0.123CC..EExtended strand (participates in β ladder)trans-70.2141.4178.4-57.7-59.6-71.400111.2I13 V31 V83 S84 G86 P88 Q91 F94I13-M33 HydrophobicContact CD1-CE 3.8Å; I13-M33 HydrophobicContact CD1-SD 3.28Å; I13-M33 WeakPolarHBondContact CD1-SD 3.01Å; V31-M33 HydrophobicContact CG1-SD 3.9Å; V31-M33 PolarHBondContact O-N 2.99Å; M33-V83 HydrophobicContact CG-CG1 3.32Å; M33-V83 HydrophobicContact SD-CG1 3.72Å; M33-S84 WeakPolarHBondContact CB-O 3.33Å; M33-S84 PolarHBondContact N-O 3.35Å; M33-G86 PolarHBondContact O-N 3.04Å; M33-P88 HydrophobicContact CG-CB 4.16Å; M33-P88 HydrophobicContact CG-CG 4.27Å; M33-Q91 HydrophobicContact CE-CB 3.76Å; M33-Q91 VanDerWaalsContact CE-CD 3.42Å; M33-Q91 HydrophobicContact CE-CG 4.12Å; M33-F94 HydrophobicContact CE-CD1 3.41Å; M33-F94 VanDerWaalsContact CE-CD1 3.41Å; M33-F94 HydrophobicContact CE-CE1 3.8Å; M33-F94 HydrophobicContact CE-CG 4.33Å; M33-F94 HydrophobicContact SD-CD1 4.11Å; M33-F94 HydrophobicContact SD-CE1 3.96Å
34Q98.7Very high97.2Very high4 Ų426.1 Ų26.12%0.01913%0.131CC..SBendtrans-78.5140.8169.9-173.170.131.400110.5N12 D47 T48 K50 D53 A56 Q91N12-Q34 HydrophobicContact CB-CB 4.09Å; N12-Q34 WeakPolarHBondContact O-CB 3.28Å; N12-Q34 PolarHBondContact O-N 2.91Å; Q34-D47 PolarHBondContact NE2-O 3.11Å; Q34-T48 VanDerWaalsContact NE2-C 3.3Å; Q34-T48 PolarHBondContact NE2-O 3.25Å; Q34-K50 WeakPolarHBondContact CG-O 3.42Å; Q34-K50 PolarHBondContact NE2-O 2.9Å; Q34-D53 HydrophobicContact CG-CB 3.95Å; Q34-A56 HydrophobicContact CB-CB 3.87Å; Q34-A56 HydrophobicContact CG-CB 3.85Å; Q34-Q91 PolarHBondContact O-NE2 3.05Å
35G98.6Very high97.3Very high0 Ų028 Ų280%014%0.14CC..  trans107.1126.6174.100000112.1T48 G86 E87G35-T48 CarbonylContact C-O 3.5Å; G35-T48 VanDerWaalsContact C-O 3.27Å; G35-T48 WeakPolarHBondContact CA-O 3.48Å; G35-T48 PolarHBondContact N-O 2.96Å; G35-G86 CarbonylContact O-C 3.55Å; G35-G86 WeakPolarHBondContact O-CA 3.48Å; G35-E87 PolarHBondContact O-N 3.44Å
36C98.6Very high97.5Very high11 Ų1127 Ų277%0.07413%0.133CC..  trans-147.1134.4168.2-168.30000109.6M38 R39 T48 W49C36-M38 PolarHBondContact SG-N 3.39Å; C36-R39 PolarHBondContact O-NH1 3.03Å; C36-T48 PolarHBondContact N-O 3.36Å; C36-W49 PolarHBondContact N-O 2.89Å
37R97.5Very high97.7Very high145 Ų14527 Ų2755%0.54712%0.124SC..SBendtrans-82.5-24.7175.2-70.4-178.6179.3164.8-0.1112.4R39 I51 L90 H156R37-R39 PolarHBondContact O-NH1 2.93Å; R37-I51 HydrophobicContact CG-CD1 4.18Å; R37-L90 HydrophobicContact CG-CD1 4.27Å; R37-L90 HydrophobicContact CG-CD2 4.22Å; R37-H156 PolarHBondContact O-NE2 2.84Å
38M97.9Very high97.8Very high3 Ų325.2 Ų25.22%0.01511%0.114CC..  trans-72159.9178.9-57-158.499.900112.9C36 C114 K116 K143 H150 T154 H156 I161C36-M38 PolarHBondContact SG-N 3.39Å; M38-C114 HydrophobicContact SD-CB 3.91Å; M38-C114 PolarHBondContact SD-SG 3.34Å; M38-K116 HydrophobicContact CE-CD 4.42Å; M38-K116 HydrophobicContact CG-CB 4.08Å; M38-K116 HydrophobicContact CG-CG 4.16Å; M38-K116 HydrophobicContact SD-CB 4.42Å; M38-K143 HydrophobicContact SD-CD 4.28Å; M38-H150 WeakPolarHBondContact CE-CE1 3.36Å; M38-T154 VanDerWaalsContact CE-CB 3.41Å; M38-T154 HydrophobicContact CE-CG2 3.91Å; M38-T154 VanDerWaalsContact CE-OG1 3.23Å; M38-T154 WeakPolarHBondContact CE-OG1 3.36Å; M38-H156 HydrophobicContact CE-CB 4.26Å; M38-I161 HydrophobicContact CE-CD1 4.21Å
39R97.8Very high97.8Very high111 Ų11126.7 Ų26.742%0.41912%0.119SC..  trans-131.352.5175.8-63-64.7178.4-930.6110.2C36 R37 Q41 T154C36-R39 PolarHBondContact O-NH1 3.03Å; R37-R39 PolarHBondContact O-NH1 2.93Å; R39-Q41 PolarHBondContact O-N 3.37Å; R39-T154 CarbonylContact C-O 3.46Å; R39-T154 PolarHBondContact N-O 3.31Å
40C98.3Very high97.7Very high11 Ų1132.1 Ų32.17%0.07414%0.143CC..  trans-51.1125.9177.7-54.80000110.1F42 C43 L153C40-F42 HydrophobicContact CB-CD1 4.4Å; C40-F42 HydrophobicContact CB-CD2 4.43Å; C40-F42 HydrophobicContact CB-CE1 4.23Å; C40-F42 HydrophobicContact CB-CE2 4.23Å; C40-F42 HydrophobicContact CB-CZ 4.16Å; C40-F42 PolarHBondContact O-N 3.13Å; C40-F42 VanDerWaalsContact O-N 3.12Å; C40-C43 HydrophobicContact CB-CB 4.19Å; C40-C43 WeakPolarHBondContact O-CB 3.28Å; C40-C43 PolarHBondContact O-N 3.14Å; C40-L153 WeakPolarHBondContact CA-O 3.39Å
41Q97.4Very high97.7Very high38 Ų3835.3 Ų35.318%0.17816%0.159CC..THydrogen-bonded Turntrans-58.4-26.1179-68.9-177.32.900112.8R39 E152 L153 P229 L230R39-Q41 PolarHBondContact O-N 3.37Å; Q41-E152 PolarHBondContact NE2-O 3.39Å; Q41-L153 HydrophobicContact CB-CD1 4.26Å; Q41-L153 WeakPolarHBondContact CG-O 3.37Å; Q41-L153 PolarHBondContact N-O 3.31Å; Q41-P229 HydrophobicContact CB-CB 3.95Å; Q41-P229 HydrophobicContact CB-CG 4.32Å; Q41-P229 HydrophobicContact CG-CB 3.88Å; Q41-P229 HydrophobicContact CG-CG 4.32Å; Q41-L230 HydrophobicContact CB-CD1 4.28Å; Q41-L230 HydrophobicContact CB-CD2 3.97Å; Q41-L230 HydrophobicContact CB-CG 3.98Å
42F97.1Very high97.5Very high11 Ų1141.4 Ų41.45%0.04819%0.192CC..THydrogen-bonded Turntrans-100.814.4178.457.3-93.7000113.7C40 H44 K143 L153 V180 V182 Y213 L230C40-F42 HydrophobicContact CB-CD1 4.4Å; C40-F42 HydrophobicContact CB-CD2 4.43Å; C40-F42 HydrophobicContact CB-CE1 4.23Å; C40-F42 HydrophobicContact CB-CE2 4.23Å; C40-F42 HydrophobicContact CB-CZ 4.16Å; C40-F42 PolarHBondContact O-N 3.13Å; C40-F42 VanDerWaalsContact O-N 3.12Å; F42-H44 PolarHBondContact O-CD2 3.22Å; F42-H44 VanDerWaalsContact O-CD2 3.29Å; F42-H44 PolarHBondContact O-N 3.17Å; F42-H44 VanDerWaalsContact O-N 3.11Å; F42-K143 HydrophobicContact CZ-CB 4.31Å; F42-K143 HydrophobicContact CZ-CD 3.92Å; F42-K143 HydrophobicContact CZ-CG 4.16Å; F42-L153 HydrophobicContact CD1-CD1 3.84Å; F42-L153 HydrophobicContact CD1-CG 4.35Å; F42-L153 HydrophobicContact CE1-CD1 3.81Å; F42-L153 HydrophobicContact CE1-CD2 3.94Å; F42-L153 HydrophobicContact CE1-CG 3.81Å; F42-V180 HydrophobicContact CD2-CB 4.31Å; F42-V180 HydrophobicContact CD2-CG1 3.9Å; F42-V180 HydrophobicContact CD2-CG2 4.36Å; F42-V180 HydrophobicContact CE2-CB 3.82Å; F42-V180 HydrophobicContact CE2-CG1 3.94Å; F42-V180 HydrophobicContact CE2-CG2 3.71Å; F42-V180 HydrophobicContact CG-CG1 4.33Å; F42-V180 HydrophobicContact CZ-CB 4.01Å; F42-V180 HydrophobicContact CZ-CG1 4.39Å; F42-V180 HydrophobicContact CZ-CG2 4.24Å; F42-V182 HydrophobicContact CB-CG2 4.14Å; F42-V182 HydrophobicContact CD1-CG2 3.62Å; F42-V182 HydrophobicContact CE1-CG2 4.15Å; F42-V182 HydrophobicContact CG-CG2 3.94Å; F42-Y213 HydrophobicContact CB-CD2 4.08Å; F42-Y213 HydrophobicContact CB-CE2 4.35Å; F42-L230 HydrophobicContact CB-CD1 3.61Å
43C97.3Very high97.4Very high22 Ų2241.7 Ų41.715%0.14919%0.194CC..  trans-57.4122-175.1-170.50000111.2C40 N45 W49 W221C40-C43 HydrophobicContact CB-CB 4.19Å; C40-C43 WeakPolarHBondContact O-CB 3.28Å; C40-C43 PolarHBondContact O-N 3.14Å; C43-N45 VanDerWaalsContact C-N 3.27Å; C43-N45 VanDerWaalsContact SG-C 3.53Å; C43-N45 PolarHBondContact SG-N 3.04Å; C43-W49 HydrophobicContact CB-CZ2 3.95Å; C43-W49 PolarHBondContact SG-NE1 3.22Å; C43-W221 HydrophobicContact CB-CZ2 4.01Å; C43-W221 PolarHBondContact O-NE1 3.41Å
44H95.1Very high97.2Very high59 Ų5947 Ų4727%0.27323%0.229SC..SBendtrans-76.5-17.4175.7-63158000113.4F42 P46 H214 K220F42-H44 PolarHBondContact O-CD2 3.22Å; F42-H44 VanDerWaalsContact O-CD2 3.29Å; F42-H44 PolarHBondContact O-N 3.17Å; F42-H44 VanDerWaalsContact O-N 3.11Å; H44-P46 VanDerWaalsContact C-CD 3.48Å; H44-H214 AromaticContact CD2-CE1 3.77Å; H44-H214 AromaticContact CE1-CD2 3.84Å; H44-H214 AromaticContact CE1-CE1 2.83Å; H44-H214 PolarHBondContact CE1-CE1 2.66Å; H44-H214 AromaticContact CE1-ND1 3.51Å; H44-H214 AromaticContact CE1-NE2 3.04Å; H44-H214 PolarHBondContact CE1-NE2 3.27Å; H44-H214 AromaticContact CG-CE1 3.85Å; H44-H214 AromaticContact ND1-CE1 3.27Å; H44-H214 PolarHBondContact ND1-CE1 2.88Å; H44-H214 VanDerWaalsContact ND1-CE1 3.27Å; H44-H214 AromaticContact ND1-NE2 3.61Å; H44-H214 AromaticContact NE2-CE1 3.14Å; H44-H214 PolarHBondContact NE2-CE1 3.03Å; H44-H214 AromaticContact NE2-ND1 3.34Å; H44-H214 PolarHBondContact NE2-ND1 2.87Å; H44-H214 AromaticContact NE2-NE2 3.71Å; H44-K220 WeakPolarHBondContact O-CD 3.34Å
45N96Very high97.1Very high46 Ų4655.8 Ų55.825%0.24627%0.267CS..  trans-130.860.1-173.4-59.6-52.8000111.3C43 D47 T48 K220C43-N45 VanDerWaalsContact C-N 3.27Å; C43-N45 VanDerWaalsContact SG-C 3.53Å; C43-N45 PolarHBondContact SG-N 3.04Å; N45-D47 WeakPolarHBondContact CA-OD1 3.45Å; N45-D47 WeakPolarHBondContact CB-OD1 3.36Å; N45-D47 PolarHBondContact O-N 3.38Å; N45-T48 HydrophobicContact CB-CG2 3.71Å; N45-T48 WeakPolarHBondContact O-CB 3.34Å; N45-T48 PolarHBondContact O-N 2.93Å; N45-T48 PolarHBondContact O-OG1 3.42Å; N45-K220 PolarHBondContact OD1-NZ 3.4Å
46P97Very high97Very high0 Ų056.4 Ų56.40%027%0.272CS..G310 helixtrans-61.4-22.7176.429.5-37.3000112.8H44 T48 W49 K220 W221 M224 L226H44-P46 VanDerWaalsContact C-CD 3.48Å; P46-T48 PolarHBondContact O-N 3.44Å; P46-W49 HydrophobicContact CB-CD2 4.1Å; P46-W49 HydrophobicContact CB-CE3 4.26Å; P46-W49 HydrophobicContact CB-CH2 4.14Å; P46-W49 HydrophobicContact CB-CZ2 3.94Å; P46-W49 HydrophobicContact CB-CZ3 4.28Å; P46-W49 VanDerWaalsContact O-CB 3.31Å; P46-W49 WeakPolarHBondContact O-CB 3.41Å; P46-W49 PolarHBondContact O-N 3.12Å; P46-K220 HydrophobicContact CG-CB 3.8Å; P46-W221 HydrophobicContact CB-CD2 4.35Å; P46-W221 HydrophobicContact CG-CD2 4.23Å; P46-W221 HydrophobicContact CG-CG 4.03Å; P46-M224 VanDerWaalsContact C-SD 3.53Å; P46-M224 HydrophobicContact CB-SD 3.85Å; P46-M224 HydrophobicContact CG-SD 3.83Å; P46-L226 HydrophobicContact CB-CD1 4.47Å
47D97Very high97Very high39 Ų3961.8 Ų61.821%0.20929%0.294CS..G310 helixtrans-60.6-21.5171.152.4-10.8000113.3H14 Q34 N45 K220 M224H14-D47 IonicContact CE1-OD2 2.82Å; H14-D47 IonicContact NE2-OD2 3.12Å; H14-D47 PolarHBondContact NE2-OD2 2.85Å; H14-D47 VanDerWaalsContact NE2-OD2 3.1Å; Q34-D47 PolarHBondContact NE2-O 3.11Å; N45-D47 WeakPolarHBondContact CA-OD1 3.45Å; N45-D47 WeakPolarHBondContact CB-OD1 3.36Å; N45-D47 PolarHBondContact O-N 3.38Å; D47-K220 IonicContact OD1-NZ 2.66Å; D47-K220 PolarHBondContact OD1-NZ 3.05Å; D47-K220 WeakPolarHBondContact OD2-CD 3.49Å; D47-K220 WeakPolarHBondContact OD2-CE 3.47Å; D47-K220 IonicContact OD2-NZ 3.46Å; D47-K220 PolarHBondContact OD2-NZ 3.22Å; D47-M224 HydrophobicContact CB-SD 4.12Å; D47-M224 PolarHBondContact N-SD 3.41Å; D47-M224 VanDerWaalsContact N-SD 3.36Å
48T98.2Very high97Very high2 Ų262.5 Ų62.51%0.01230%0.301CS..G310 helixtrans-81.6-8.6173.567.40000113.8H14 Q34 G35 C36 N45 P46 K50 G86H14-T48 HydrophobicContact CB-CG2 4.04Å; Q34-T48 VanDerWaalsContact NE2-C 3.3Å; Q34-T48 PolarHBondContact NE2-O 3.25Å; G35-T48 CarbonylContact C-O 3.5Å; G35-T48 VanDerWaalsContact C-O 3.27Å; G35-T48 WeakPolarHBondContact CA-O 3.48Å; G35-T48 PolarHBondContact N-O 2.96Å; C36-T48 PolarHBondContact N-O 3.36Å; N45-T48 HydrophobicContact CB-CG2 3.71Å; N45-T48 WeakPolarHBondContact O-CB 3.34Å; N45-T48 PolarHBondContact O-N 2.93Å; N45-T48 PolarHBondContact O-OG1 3.42Å; P46-T48 PolarHBondContact O-N 3.44Å; T48-K50 PolarHBondContact O-N 3.27Å; T48-G86 WeakPolarHBondContact OG1-CA 3.34Å
49W98.1Very high97Very high31 Ų3164.5 Ų64.512%0.11731%0.309CS..  trans-66.7-36.9-168.8-71.4-6.5000114.6C36 C43 P46 I51 W221 L226C36-W49 PolarHBondContact N-O 2.89Å; C43-W49 HydrophobicContact CB-CZ2 3.95Å; C43-W49 PolarHBondContact SG-NE1 3.22Å; P46-W49 HydrophobicContact CB-CD2 4.1Å; P46-W49 HydrophobicContact CB-CE3 4.26Å; P46-W49 HydrophobicContact CB-CH2 4.14Å; P46-W49 HydrophobicContact CB-CZ2 3.94Å; P46-W49 HydrophobicContact CB-CZ3 4.28Å; P46-W49 VanDerWaalsContact O-CB 3.31Å; P46-W49 WeakPolarHBondContact O-CB 3.41Å; P46-W49 PolarHBondContact O-N 3.12Å; W49-I51 PolarHBondContact O-N 3.09Å; W49-I51 VanDerWaalsContact O-N 3.14Å; W49-W221 HydrophobicContact CH2-CE3 4.45Å; W49-W221 AromaticContact CH2-CH2 3.32Å; W49-W221 HydrophobicContact CH2-CH2 3.32Å; W49-W221 AromaticContact CH2-CZ2 3.89Å; W49-W221 HydrophobicContact CH2-CZ2 3.89Å; W49-W221 AromaticContact CH2-CZ3 3.63Å; W49-W221 HydrophobicContact CH2-CZ3 3.63Å; W49-W221 AromaticContact CZ2-CH2 3.72Å; W49-W221 HydrophobicContact CZ2-CH2 3.72Å; W49-W221 AromaticContact CZ2-CZ2 3.86Å; W49-W221 HydrophobicContact CZ2-CZ2 3.86Å; W49-W221 HydrophobicContact CZ2-CZ3 4.43Å; W49-W221 HydrophobicContact CZ3-CH2 4.47Å; W49-W221 HydrophobicContact CZ3-CZ3 4.43Å; W49-L226 HydrophobicContact CZ3-CD1 3.95Å
50K97.6Very high97.1Very high114 Ų11460.7 Ų60.750%0.49630%0.298SS..  trans-72110.4-173.5-175174.5175.9-176.40109.9Q34 T48 N52 D53Q34-K50 WeakPolarHBondContact CG-O 3.42Å; Q34-K50 PolarHBondContact NE2-O 2.9Å; T48-K50 PolarHBondContact O-N 3.27Å; K50-N52 PolarHBondContact O-N 3.43Å; K50-D53 HydrophobicContact CB-CB 4.03Å; K50-D53 HydrophobicContact CD-CB 4.08Å; K50-D53 HydrophobicContact CG-CB 4.04Å; K50-D53 PolarHBondContact O-N 3.38Å
51I97.3Very high97.1Very high68 Ų6860.1 Ų60.135%0.34929%0.294SS..THydrogen-bonded Turntrans-58.7-48-175.6-62.8173.9000111.8R37 W49 L90R37-I51 HydrophobicContact CG-CD1 4.18Å; W49-I51 PolarHBondContact O-N 3.09Å; W49-I51 VanDerWaalsContact O-N 3.14Å; I51-L90 HydrophobicContact CD1-CD1 4.36Å; I51-L90 HydrophobicContact CG1-CD1 4.34Å
52N94.1Very high97.1Very high129 Ų12962.4 Ų62.469%0.6931%0.307SS*.THydrogen-bonded Turntrans-105.457.8178.6-63.9-34.8000109.8K50 P54K50-N52 PolarHBondContact O-N 3.43Å; N52-P54 WeakPolarHBondContact O-CD 3.48Å
53D96.7Very high97.1Very high31 Ų3164.2 Ų64.217%0.16632%0.318CS..  trans-73.1121.4175.7-157.3-46.7000110.1Q34 K50 K55 A56Q34-D53 HydrophobicContact CG-CB 3.95Å; K50-D53 HydrophobicContact CB-CB 4.03Å; K50-D53 HydrophobicContact CD-CB 4.08Å; K50-D53 HydrophobicContact CG-CB 4.04Å; K50-D53 PolarHBondContact O-N 3.38Å; D53-K55 PolarHBondContact O-N 3.04Å; D53-K55 VanDerWaalsContact O-N 3.16Å; D53-K55 VanDerWaalsContact OD1-CB 3.26Å; D53-K55 WeakPolarHBondContact OD1-CB 3.42Å; D53-K55 WeakPolarHBondContact OD1-CG 3.33Å; D53-K55 PolarHBondContact OD1-N 3Å; D53-A56 HydrophobicContact CB-CB 4.43Å; D53-A56 VanDerWaalsContact O-CB 3.22Å; D53-A56 WeakPolarHBondContact O-CB 3.05Å; D53-A56 PolarHBondContact O-N 2.88Å
54P95.8Very high97.2Very high111 Ų11163.3 Ų63.372%0.72131%0.311SS*.THydrogen-bonded Turntrans-62.2-17.6174.426.8-36.1000113.5N52 A56N52-P54 WeakPolarHBondContact O-CD 3.48Å; P54-A56 VanDerWaalsContact C-N 3.32Å
55K95.7Very high97.3Very high190 Ų19060.7 Ų60.783%0.82630%0.299SS*.THydrogen-bonded Turntrans-79.9-12.8174-60.2179.1178.8-179.90113D53 K57D53-K55 PolarHBondContact O-N 3.04Å; D53-K55 VanDerWaalsContact O-N 3.16Å; D53-K55 VanDerWaalsContact OD1-CB 3.26Å; D53-K55 WeakPolarHBondContact OD1-CB 3.42Å; D53-K55 WeakPolarHBondContact OD1-CG 3.33Å; D53-K55 PolarHBondContact OD1-N 3Å; K55-K57 PolarHBondContact O-N 3.24Å
56A97.7Very high97.4Very high13 Ų1366 Ų6611%0.10732%0.32CS..SBendtrans-64.6135.9178.600000110.9N12 Q34 D53 P54 K58N12-A56 HydrophobicContact CB-CB 3.96Å; Q34-A56 HydrophobicContact CB-CB 3.87Å; Q34-A56 HydrophobicContact CG-CB 3.85Å; D53-A56 HydrophobicContact CB-CB 4.43Å; D53-A56 VanDerWaalsContact O-CB 3.22Å; D53-A56 WeakPolarHBondContact O-CB 3.05Å; D53-A56 PolarHBondContact O-N 2.88Å; P54-A56 VanDerWaalsContact C-N 3.32Å; A56-K58 PolarHBondContact O-N 2.81Å
57K98.1Very high97.5Very high124 Ų12468.9 Ų68.954%0.53933%0.334SS..EExtended strand (participates in β ladder)trans-77.7119.4175.4-63.4175.8-175.8174.20108.6I13 K55 R59I13-K57 HydrophobicContact CB-CB 4.48Å; I13-K57 PolarHBondContact N-O 3.36Å; I13-K57 PolarHBondContact O-N 3.47Å; K55-K57 PolarHBondContact O-N 3.24Å; K57-R59 HydrophobicContact CB-CG 4.17Å; K57-R59 PolarHBondContact O-N 3.26Å
58K97.9Very high97.5Very high160 Ų16067 Ų6770%0.69632%0.324SS*.EExtended strand (participates in β ladder)trans-76116.3170.6-73.1-174-177.9-174.90109.2V10 G11 A56V10-K58 HydrophobicContact CG1-CB 3.59Å; V10-K58 HydrophobicContact CG1-CD 4.41Å; V10-K58 HydrophobicContact CG1-CG 3.96Å; G11-K58 WeakPolarHBondContact O-CA 3.48Å; A56-K58 PolarHBondContact O-N 2.81Å
59R98.1Very high97.5Very high45 Ų4570 Ų7017%0.1734%0.339CS..EExtended strand (participates in β ladder)trans-132.8146.1-175.6-60.9-64.8-59.9-94.7-4.7110.5V10 G11 I13 K57 D63 L64 E67 F94V10-R59 WeakPolarHBondContact CA-O 3.14Å; G11-R59 PolarHBondContact N-O 3.22Å; G11-R59 PolarHBondContact O-N 2.82Å; I13-R59 HydrophobicContact CB-CG 4.27Å; I13-R59 HydrophobicContact CG1-CB 3.74Å; I13-R59 HydrophobicContact CG1-CG 3.75Å; K57-R59 HydrophobicContact CB-CG 4.17Å; K57-R59 PolarHBondContact O-N 3.26Å; R59-D63 VanDerWaalsContact CA-OD2 3.31Å; R59-D63 WeakPolarHBondContact CA-OD2 3.37Å; R59-D63 WeakPolarHBondContact CB-OD1 3.37Å; R59-D63 IonicContact CZ-OD1 3.6Å; R59-D63 IonicContact CZ-OD2 2.69Å; R59-D63 IonicContact NE-OD1 2.85Å; R59-D63 PolarHBondContact NE-OD1 2.97Å; R59-D63 IonicContact NE-OD2 3.24Å; R59-D63 PolarHBondContact NE-OD2 3.31Å; R59-D63 PolarHBondContact NH2-O 2.81Å; R59-D63 IonicContact NH2-OD1 2.9Å; R59-D63 PolarHBondContact NH2-OD1 2.83Å; R59-L64 HydrophobicContact CB-CD2 4.18Å; R59-L64 HydrophobicContact CB-CG 4.12Å; R59-L64 HydrophobicContact CG-CD2 4.32Å; R59-E67 IonicContact CZ-OE2 3.03Å; R59-E67 IonicContact NH1-OE2 3.04Å; R59-E67 PolarHBondContact NH1-OE2 3.16Å; R59-E67 IonicContact NH2-OE2 3.98Å; R59-E67 PolarHBondContact NH2-OE2 3.44Å; R59-F94 VanDerWaalsContact O-CE2 3.31Å; R59-F94 WeakPolarHBondContact O-CE2 3.33Å
60T98.4Very high97.4Very high30 Ų3074.1 Ų74.118%0.18436%0.364CS..EExtended strand (participates in β ladder)trans-94.9162171.565.30000110.7P8 V10 D62 D63 L64P8-T60 HydrophobicContact CB-CG2 3.96Å; P8-T60 HydrophobicContact CG-CG2 4.21Å; V10-T60 HydrophobicContact CG2-CG2 4.31Å; T60-D62 PolarHBondContact O-N 3.38Å; T60-D63 VanDerWaalsContact N-CG 3.32Å; T60-D63 PolarHBondContact N-OD2 2.91Å; T60-D63 VanDerWaalsContact O-CG 3.28Å; T60-D63 PolarHBondContact O-N 3.42Å; T60-D63 PolarHBondContact OG1-N 2.85Å; T60-L64 PolarHBondContact O-N 3.24Å
61A98.4Very high97.3Very high0 Ų071.9 Ų71.90%035%0.352CS..Hα-helixtrans-58.9-38.8172.800000111.9D63 L64 L65 D97 L98 K101A61-D63 VanDerWaalsContact C-N 3.34Å; A61-D63 PolarHBondContact O-N 3.44Å; A61-L64 PolarHBondContact O-N 2.83Å; A61-L65 WeakPolarHBondContact O-CB 3.4Å; A61-L65 WeakPolarHBondContact O-CG 3.41Å; A61-L65 PolarHBondContact O-N 3.43Å; A61-D97 HydrophobicContact CB-CB 4.45Å; A61-D97 WeakPolarHBondContact CB-OD2 3.48Å; A61-L98 HydrophobicContact CB-CB 4.1Å; A61-L98 HydrophobicContact CB-CD1 4.1Å; A61-K101 HydrophobicContact CB-CD 3.81Å
62D98.1Very high97.2Very high86 Ų8673.6 Ų73.646%0.4636%0.355SS..Hα-helixtrans-64.8-39.6-177-56.1-42.4000111.7T60 K66 K101T60-D62 PolarHBondContact O-N 3.38Å; D62-K66 VanDerWaalsContact O-CB 3.28Å; D62-K66 WeakPolarHBondContact O-CB 3.28Å; D62-K66 PolarHBondContact O-N 2.99Å; D62-K101 WeakPolarHBondContact OD1-CD 3.19Å; D62-K101 VanDerWaalsContact OD1-CE 3.31Å; D62-K101 WeakPolarHBondContact OD1-CE 3.22Å; D62-K101 IonicContact OD1-NZ 2.91Å; D62-K101 PolarHBondContact OD1-NZ 3.17Å; D62-K101 IonicContact OD2-NZ 3.22Å; D62-K101 PolarHBondContact OD2-NZ 3.23Å
63D97.5Very high97.3Very high49 Ų4972.3 Ų72.326%0.26236%0.356SS..Hα-helixtrans-69.9-37.9178.177.431.5000111.9R59 T60 A61 K66 E67R59-D63 VanDerWaalsContact CA-OD2 3.31Å; R59-D63 WeakPolarHBondContact CA-OD2 3.37Å; R59-D63 WeakPolarHBondContact CB-OD1 3.37Å; R59-D63 IonicContact CZ-OD1 3.6Å; R59-D63 IonicContact CZ-OD2 2.69Å; R59-D63 IonicContact NE-OD1 2.85Å; R59-D63 PolarHBondContact NE-OD1 2.97Å; R59-D63 IonicContact NE-OD2 3.24Å; R59-D63 PolarHBondContact NE-OD2 3.31Å; R59-D63 PolarHBondContact NH2-O 2.81Å; R59-D63 IonicContact NH2-OD1 2.9Å; R59-D63 PolarHBondContact NH2-OD1 2.83Å; T60-D63 VanDerWaalsContact N-CG 3.32Å; T60-D63 PolarHBondContact N-OD2 2.91Å; T60-D63 VanDerWaalsContact O-CG 3.28Å; T60-D63 PolarHBondContact O-N 3.42Å; T60-D63 PolarHBondContact OG1-N 2.85Å; A61-D63 VanDerWaalsContact C-N 3.34Å; A61-D63 PolarHBondContact O-N 3.44Å; D63-K66 PolarHBondContact O-N 3.14Å; D63-E67 PolarHBondContact O-N 2.8Å
64L98.3Very high97.2Very high2 Ų277.4 Ų77.41%0.0137%0.374CS..Hα-helixtrans-70.9-42.6-179.8-74-176.7000110.1I13 I16 V31 R59 T60 A61 K66 E67 A68 F94 L98I13-L64 HydrophobicContact CD1-CD1 4.37Å; I16-L64 HydrophobicContact CD1-CD2 3.49Å; I16-L64 VanDerWaalsContact CD1-CD2 3.49Å; I16-L64 HydrophobicContact CG1-CD2 4.27Å; V31-L64 HydrophobicContact CG1-CD1 3.77Å; V31-L64 HydrophobicContact CG2-CD1 3.96Å; V31-L64 HydrophobicContact CG2-CD2 4.47Å; R59-L64 HydrophobicContact CB-CD2 4.18Å; R59-L64 HydrophobicContact CB-CG 4.12Å; R59-L64 HydrophobicContact CG-CD2 4.32Å; T60-L64 PolarHBondContact O-N 3.24Å; A61-L64 PolarHBondContact O-N 2.83Å; L64-K66 VanDerWaalsContact C-N 3.34Å; L64-E67 PolarHBondContact O-N 2.8Å; L64-A68 VanDerWaalsContact O-CB 3.24Å; L64-A68 WeakPolarHBondContact O-CB 3.28Å; L64-A68 PolarHBondContact O-N 2.76Å; L64-F94 HydrophobicContact CD1-CE1 4.02Å; L64-F94 HydrophobicContact CD1-CZ 3.54Å; L64-L98 HydrophobicContact CB-CD1 4.4Å; L64-L98 HydrophobicContact CD1-CD2 4.27Å
65L98.4Very high97.1Very high5 Ų572.7 Ų72.73%0.02634%0.341CS..Hα-helixtrans-65.7-39.7177.7-70.4169.2000111.3A61 E67 A68 L69 I81 L98 K101 A102 M105 I107A61-L65 WeakPolarHBondContact O-CB 3.4Å; A61-L65 WeakPolarHBondContact O-CG 3.41Å; A61-L65 PolarHBondContact O-N 3.43Å; L65-E67 VanDerWaalsContact C-N 3.33Å; L65-E67 PolarHBondContact O-N 2.88Å; L65-A68 PolarHBondContact O-N 3.5Å; L65-L69 WeakPolarHBondContact O-CB 3.48Å; L65-L69 VanDerWaalsContact O-CG 3.3Å; L65-L69 WeakPolarHBondContact O-CG 3.3Å; L65-L69 PolarHBondContact O-N 3.05Å; L65-I81 HydrophobicContact CD2-CD1 3.43Å; L65-I81 VanDerWaalsContact CD2-CD1 3.43Å; L65-L98 HydrophobicContact CD1-CD1 4.17Å; L65-L98 HydrophobicContact CD2-CD1 3.9Å; L65-L98 HydrophobicContact CG-CD1 3.74Å; L65-K101 HydrophobicContact CD1-CB 3.38Å; L65-K101 HydrophobicContact CD1-CD 4.36Å; L65-K101 HydrophobicContact CD1-CG 4.5Å; L65-A102 HydrophobicContact CD2-CB 3.86Å; L65-M105 HydrophobicContact CB-SD 4.28Å; L65-M105 HydrophobicContact CD1-SD 4.05Å; L65-M105 HydrophobicContact CD2-SD 4.42Å; L65-M105 HydrophobicContact CG-SD 4.49Å; L65-I107 HydrophobicContact CD2-CD1 4.09Å
66K98Very high96.9Very high158 Ų15866.5 Ų66.569%0.68733%0.332SS*.Hα-helixtrans-59.9-43.9173.3-176.4-179.9179.3-178.60111.6D62 D63 L64D62-K66 VanDerWaalsContact O-CB 3.28Å; D62-K66 WeakPolarHBondContact O-CB 3.28Å; D62-K66 PolarHBondContact O-N 2.99Å; D63-K66 PolarHBondContact O-N 3.14Å; L64-K66 VanDerWaalsContact C-N 3.34Å
67E98Very high96.5Very high60 Ų6075.2 Ų75.228%0.2837%0.367SS..Hα-helixtrans-66.5-46176.8-169.4176.2163.200111.6F29 R59 D63 L64 L65 L69 N70 Y71F29-E67 HydrophobicContact CE2-CG 4.09Å; F29-E67 HydrophobicContact CZ-CB 4.18Å; F29-E67 HydrophobicContact CZ-CG 4.05Å; R59-E67 IonicContact CZ-OE2 3.03Å; R59-E67 IonicContact NH1-OE2 3.04Å; R59-E67 PolarHBondContact NH1-OE2 3.16Å; R59-E67 IonicContact NH2-OE2 3.98Å; R59-E67 PolarHBondContact NH2-OE2 3.44Å; D63-E67 PolarHBondContact O-N 2.8Å; L64-E67 PolarHBondContact O-N 2.8Å; L65-E67 VanDerWaalsContact C-N 3.33Å; L65-E67 PolarHBondContact O-N 2.88Å; E67-L69 VanDerWaalsContact C-N 3.32Å; E67-L69 PolarHBondContact O-N 3.47Å; E67-N70 WeakPolarHBondContact O-CB 3.41Å; E67-N70 PolarHBondContact O-N 3.26Å; E67-N70 PolarHBondContact O-ND2 2.93Å; E67-Y71 WeakPolarHBondContact O-CD2 3.35Å
68A97.8Very high96.2Very high0 Ų072.9 Ų72.90%036%0.357CS..Hα-helixtrans-60.1-40179.700000112.4F29 L64 L65 N70 Y71 W75 I81F29-A68 HydrophobicContact CB-CB 4.11Å; F29-A68 HydrophobicContact CD1-CB 3.62Å; F29-A68 HydrophobicContact CD2-CB 3.92Å; F29-A68 HydrophobicContact CE1-CB 3.87Å; F29-A68 HydrophobicContact CE2-CB 4.15Å; F29-A68 HydrophobicContact CG-CB 3.62Å; F29-A68 HydrophobicContact CZ-CB 4.1Å; L64-A68 VanDerWaalsContact O-CB 3.24Å; L64-A68 WeakPolarHBondContact O-CB 3.28Å; L64-A68 PolarHBondContact O-N 2.76Å; L65-A68 PolarHBondContact O-N 3.5Å; A68-N70 PolarHBondContact O-N 3.37Å; A68-Y71 PolarHBondContact O-N 2.9Å; A68-W75 HydrophobicContact CB-CH2 4.12Å; A68-W75 HydrophobicContact CB-CZ2 3.98Å; A68-W75 WeakPolarHBondContact O-CZ2 3.24Å; A68-I81 HydrophobicContact CB-CD1 3.96Å; A68-I81 HydrophobicContact CB-CG1 4.27Å
69L97Very high96.1Very high64 Ų6465.7 Ų65.734%0.33533%0.328SS..Hα-helixtrans-60.4-26.2179.6-82.2-177.4000113.9L65 E67 Y71 R72 M105 I107L65-L69 WeakPolarHBondContact O-CB 3.48Å; L65-L69 VanDerWaalsContact O-CG 3.3Å; L65-L69 WeakPolarHBondContact O-CG 3.3Å; L65-L69 PolarHBondContact O-N 3.05Å; E67-L69 VanDerWaalsContact C-N 3.32Å; E67-L69 PolarHBondContact O-N 3.47Å; L69-Y71 PolarHBondContact O-N 2.89Å; L69-R72 WeakPolarHBondContact O-CB 3.2Å; L69-R72 PolarHBondContact O-N 2.79Å; L69-M105 HydrophobicContact CD1-CE 3.24Å; L69-M105 HydrophobicContact CD2-CE 3.96Å; L69-M105 HydrophobicContact CG-CE 3.75Å; L69-I107 HydrophobicContact CD2-CD1 4.24Å
70N97Very high96.1Very high118 Ų11863.5 Ų63.563%0.63132%0.32SS*.THydrogen-bonded Turntrans-62.8-21.1174.9-63.2-38.4000112.4E67 A68E67-N70 WeakPolarHBondContact O-CB 3.41Å; E67-N70 PolarHBondContact O-N 3.26Å; E67-N70 PolarHBondContact O-ND2 2.93Å; A68-N70 PolarHBondContact O-N 3.37Å
71Y96.1Very high96.1Very high67 Ų6762.1 Ų62.126%0.26331%0.311SS..THydrogen-bonded Turntrans-104.92.4-178.6-56.5-79.3000113.3F19 F29 E67 A68 L69 S73 Y74 W75F19-Y71 HydrophobicContact CD2-CD1 4.28Å; F19-Y71 AromaticContact CE2-CD1 3.46Å; F19-Y71 HydrophobicContact CE2-CD1 3.46Å; F19-Y71 VanDerWaalsContact CE2-CD1 3.46Å; F19-Y71 AromaticContact CE2-CE1 3.76Å; F19-Y71 HydrophobicContact CE2-CE1 3.76Å; F19-Y71 AromaticContact CZ-CD1 3.95Å; F19-Y71 HydrophobicContact CZ-CD1 3.95Å; F29-Y71 AromaticContact CD2-CD2 3.97Å; F29-Y71 HydrophobicContact CD2-CD2 3.97Å; F29-Y71 HydrophobicContact CD2-CE2 4.46Å; F29-Y71 HydrophobicContact CE2-CD2 4.12Å; F29-Y71 HydrophobicContact CE2-CE2 4.22Å; E67-Y71 WeakPolarHBondContact O-CD2 3.35Å; A68-Y71 PolarHBondContact O-N 2.9Å; L69-Y71 PolarHBondContact O-N 2.89Å; Y71-S73 PolarHBondContact O-N 3.38Å; Y71-S73 VanDerWaalsContact O-N 3.12Å; Y71-Y74 WeakPolarHBondContact O-CB 3.43Å; Y71-Y74 PolarHBondContact O-N 3.02Å; Y71-W75 PolarHBondContact O-NE1 2.91Å
72R94.7Very high96.1Very high104 Ų10462.1 Ų62.139%0.39231%0.311SS..G310 helixtrans-56.4-34.3-172.9-174174.7-174125.63113.8L69 Y74 W75 M105 G106L69-R72 WeakPolarHBondContact O-CB 3.2Å; L69-R72 PolarHBondContact O-N 2.79Å; R72-Y74 PolarHBondContact O-N 2.86Å; R72-W75 HydrophobicContact CB-CD2 4.49Å; R72-W75 HydrophobicContact CB-CE3 4.25Å; R72-W75 HydrophobicContact CB-CZ3 4.29Å; R72-W75 HydrophobicContact CG-CD2 4.5Å; R72-W75 HydrophobicContact CG-CE3 3.88Å; R72-W75 HydrophobicContact CG-CZ3 4.03Å; R72-W75 PolarHBondContact O-N 3.48Å; R72-M105 PolarHBondContact NH1-O 2.87Å; R72-M105 PolarHBondContact NH2-O 2.95Å; R72-G106 PolarHBondContact NH2-O 3.02Å
73S95.2Very high96.1Very high102 Ų10258 Ų5871%0.71329%0.289SS*.G310 helixtrans-62.5-24.1178.753.10000113.4Y71Y71-S73 PolarHBondContact O-N 3.38Å; Y71-S73 VanDerWaalsContact O-N 3.12Å
74Y95.2Very high96.2Very high138 Ų13856.3 Ų56.354%0.54128%0.281SS..G310 helixtrans-88.6-17.1-178.3-61-79.5000113.9F19 V27 Y71 R72 G76F19-Y74 VanDerWaalsContact CE1-CB 3.45Å; F19-Y74 AromaticContact CE1-CD1 3.58Å; F19-Y74 HydrophobicContact CE1-CD1 3.58Å; F19-Y74 AromaticContact CE1-CD2 3.78Å; F19-Y74 HydrophobicContact CE1-CD2 3.78Å; F19-Y74 HydrophobicContact CE1-CE1 4.21Å; F19-Y74 HydrophobicContact CE1-CE2 4.39Å; F19-Y74 AromaticContact CE1-CG 3.32Å; F19-Y74 HydrophobicContact CE1-CG 3.32Å; F19-Y74 AromaticContact CZ-CD1 3.87Å; F19-Y74 HydrophobicContact CZ-CD1 3.87Å; F19-Y74 AromaticContact CZ-CD2 3.42Å; F19-Y74 HydrophobicContact CZ-CD2 3.42Å; F19-Y74 VanDerWaalsContact CZ-CD2 3.42Å; F19-Y74 HydrophobicContact CZ-CE1 4.13Å; F19-Y74 AromaticContact CZ-CE2 3.72Å; F19-Y74 HydrophobicContact CZ-CE2 3.72Å; F19-Y74 AromaticContact CZ-CG 3.49Å; F19-Y74 HydrophobicContact CZ-CG 3.49Å; F19-Y74 VanDerWaalsContact CZ-CG 3.49Å; V27-Y74 WeakPolarHBondContact CB-O 3.34Å; Y71-Y74 WeakPolarHBondContact O-CB 3.43Å; Y71-Y74 PolarHBondContact O-N 3.02Å; R72-Y74 PolarHBondContact O-N 2.86Å; Y74-G76 PolarHBondContact O-N 3.22Å; Y74-G76 VanDerWaalsContact O-N 3.15Å
75W94.4Very high96.1Very high11 Ų1156.9 Ų56.94%0.04229%0.288CS..SBendtrans-64.7-20.9-175.1-65.3-7.3000113.7V27 F29 A68 Y71 R72 G79 I81 I107V27-W75 WeakPolarHBondContact O-CA 3.18Å; F29-W75 HydrophobicContact CB-CZ2 3.93Å; A68-W75 HydrophobicContact CB-CH2 4.12Å; A68-W75 HydrophobicContact CB-CZ2 3.98Å; A68-W75 WeakPolarHBondContact O-CZ2 3.24Å; Y71-W75 PolarHBondContact O-NE1 2.91Å; R72-W75 HydrophobicContact CB-CD2 4.49Å; R72-W75 HydrophobicContact CB-CE3 4.25Å; R72-W75 HydrophobicContact CB-CZ3 4.29Å; R72-W75 HydrophobicContact CG-CD2 4.5Å; R72-W75 HydrophobicContact CG-CE3 3.88Å; R72-W75 HydrophobicContact CG-CZ3 4.03Å; R72-W75 PolarHBondContact O-N 3.48Å; W75-G79 WeakPolarHBondContact O-CA 3.31Å; W75-G79 PolarHBondContact O-N 2.96Å; W75-I81 HydrophobicContact CH2-CG1 4.19Å; W75-I81 HydrophobicContact CZ2-CG1 4.45Å; W75-I107 HydrophobicContact CE3-CG2 4.49Å; W75-I107 HydrophobicContact CH2-CD1 4.16Å; W75-I107 HydrophobicContact CH2-CG2 4.09Å; W75-I107 HydrophobicContact CZ3-CB 4.38Å; W75-I107 HydrophobicContact CZ3-CD1 4.1Å; W75-I107 HydrophobicContact CZ3-CG1 3.98Å; W75-I107 HydrophobicContact CZ3-CG2 3.65Å
76G91.6Very high96.1Very high61 Ų6157.5 Ų57.563%0.62930%0.295SS*.THydrogen-bonded Turntrans61.5-154.3-172.400000111.1Y74Y74-G76 PolarHBondContact O-N 3.22Å; Y74-G76 VanDerWaalsContact O-N 3.15Å
77K89.3Confident96.1Very high196 Ų19650 Ų5085%0.85226%0.262SS*.THydrogen-bonded Turntrans-73.2-40.1-175.4-67.7-176.9-179.9178.80112.9N261K77-N261 PolarHBondContact O-ND2 2.88Å
78K91.2Very high96.2Very high75 Ų7547.2 Ų47.233%0.32625%0.249SC..THydrogen-bonded Turntrans-105.2-6-169.5-55.1-169.2171.3-170.80114.7P25 R28 Y256P25-K78 HydrophobicContact CB-CB 3.96Å; P25-K78 HydrophobicContact CB-CD 4.48Å; P25-K78 CarbonylContact O-C 3.6Å; R28-K78 PolarHBondContact NH1-O 3.47Å; K78-Y256 PolarHBondContact NZ-O 3.01Å
79G95.5Very high96.2Very high8 Ų847.4 Ų47.48%0.08225%0.25CS..  trans-70.6178.4179.700000113.4P25 V27 W75 N108P25-G79 WeakPolarHBondContact O-CA 3.22Å; V27-G79 WeakPolarHBondContact O-CA 3.45Å; W75-G79 WeakPolarHBondContact O-CA 3.31Å; W75-G79 PolarHBondContact O-N 2.96Å; G79-N108 WeakPolarHBondContact O-CB 3.46Å
80G97.2Very high96.3Very high0 Ų046.4 Ų46.40%025%0.245CC..EExtended strand (participates in β ladder)trans164-140.4-173.900000112.3V27 R28 F29 N108V27-G80 PolarHBondContact O-N 2.79Å; R28-G80 CarbonylContact C-O 3.6Å; R28-G80 VanDerWaalsContact CA-O 3.23Å; R28-G80 WeakPolarHBondContact CA-O 3.25Å; F29-G80 PolarHBondContact N-O 3.48Å; G80-N108 WeakPolarHBondContact CA-O 3.35Å
81I98.4Very high96.4Very high1 Ų142.1 Ų42.11%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-111134.1179.9-67.5170.3000110R28 F29 L65 A68 W75 V83 A102 I107 N108 T110R28-I81 PolarHBondContact NH2-O 3.24Å; F29-I81 HydrophobicContact CB-CG1 4.28Å; F29-I81 HydrophobicContact CD1-CG1 4.46Å; F29-I81 VanDerWaalsContact O-CA 3.31Å; F29-I81 WeakPolarHBondContact O-CA 3.31Å; L65-I81 HydrophobicContact CD2-CD1 3.43Å; L65-I81 VanDerWaalsContact CD2-CD1 3.43Å; A68-I81 HydrophobicContact CB-CD1 3.96Å; A68-I81 HydrophobicContact CB-CG1 4.27Å; W75-I81 HydrophobicContact CH2-CG1 4.19Å; W75-I81 HydrophobicContact CZ2-CG1 4.45Å; I81-V83 HydrophobicContact CG2-CG2 4.31Å; I81-A102 HydrophobicContact CD1-CB 4.47Å; I81-I107 HydrophobicContact CB-CG2 4.41Å; I81-I107 HydrophobicContact CD1-CD1 4.34Å; I81-I107 HydrophobicContact CD1-CG2 4.01Å; I81-I107 HydrophobicContact CG1-CG2 3.96Å; I81-N108 PolarHBondContact N-O 2.76Å; I81-T110 PolarHBondContact O-N 3.46Å
82T98.8Very high96.5Very high0 Ų039.6 Ų39.60%021%0.212CC..EExtended strand (participates in β ladder)trans-111.1138.2165.5-64.70000109.6D23 R28 F29 I30 V31 T110 D112D23-T82 HydrophobicContact CB-CG2 4.26Å; D23-T82 WeakPolarHBondContact O-CG2 3.34Å; D23-T82 PolarHBondContact O-OG1 3.43Å; R28-T82 WeakPolarHBondContact CD-OG1 3.47Å; R28-T82 PolarHBondContact NE-OG1 2.82Å; F29-T82 PolarHBondContact O-N 3.08Å; I30-T82 CarbonylContact C-O 3.55Å; I30-T82 VanDerWaalsContact CA-O 3.3Å; I30-T82 WeakPolarHBondContact CA-O 3.4Å; I30-T82 HydrophobicContact CG2-CG2 4.39Å; V31-T82 PolarHBondContact N-O 3.21Å; T82-T110 CarbonylContact C-O 3.27Å; T82-T110 VanDerWaalsContact CA-O 3.26Å; T82-T110 WeakPolarHBondContact CA-O 3.33Å; T82-T110 HydrophobicContact CG2-CG2 4.16Å; T82-T110 WeakPolarHBondContact OG1-CB 3.28Å; T82-D112 HydrophobicContact CG2-CB 4.03Å
83V98.8Very high96.7Very high0 Ų038 Ų380%021%0.212CC..EExtended strand (participates in β ladder)trans-111.8119.5167.4-172.20000108.4V31 M33 I81 P88 L95 L98 F99 T110 D112V31-V83 HydrophobicContact CB-CG1 4.46Å; V31-V83 HydrophobicContact CB-CG2 4.31Å; V31-V83 WeakPolarHBondContact O-CA 3.31Å; M33-V83 HydrophobicContact CG-CG1 3.32Å; M33-V83 HydrophobicContact SD-CG1 3.72Å; I81-V83 HydrophobicContact CG2-CG2 4.31Å; V83-P88 HydrophobicContact CG1-CB 3.97Å; V83-P88 HydrophobicContact CG1-CG 4.08Å; V83-L95 HydrophobicContact CB-CD2 4Å; V83-L95 HydrophobicContact CG1-CD2 3.5Å; V83-L95 HydrophobicContact CG2-CD2 4.22Å; V83-L98 HydrophobicContact CG2-CD2 3.65Å; V83-F99 HydrophobicContact CB-CE1 4.32Å; V83-F99 HydrophobicContact CB-CZ 4.36Å; V83-F99 HydrophobicContact CG2-CD1 4.46Å; V83-F99 HydrophobicContact CG2-CE1 3.48Å; V83-F99 VanDerWaalsContact CG2-CE1 3.48Å; V83-F99 HydrophobicContact CG2-CZ 4Å; V83-T110 PolarHBondContact N-O 2.91Å; V83-D112 PolarHBondContact O-N 3.25Å
84S98.5Very high96.8Very high13 Ų1333.3 Ų33.39%0.09118%0.178CC..EExtended strand (participates in β ladder)trans-136.6-147-175.2-173.80000108.8V31 F32 M33 P88 D112V31-S84 PolarHBondContact O-N 2.97Å; F32-S84 CarbonylContact C-O 3.48Å; M33-S84 WeakPolarHBondContact CB-O 3.33Å; M33-S84 PolarHBondContact N-O 3.35Å; S84-P88 WeakPolarHBondContact O-CG 3.26Å; S84-D112 WeakPolarHBondContact CB-OD2 3.45Å; S84-D112 PolarHBondContact OG-OD2 3.36Å
85G97.6Very high97Very high14 Ų1426.8 Ų26.814%0.14415%0.153CC..EExtended strand (participates in β ladder)trans111.3-119.6174.300000112.2
86G98Very high97.2Very high17 Ų1726.9 Ų26.918%0.17515%0.154CC..SBendtrans-77.3-92168.200000110.7M33 G35 T48M33-G86 PolarHBondContact O-N 3.04Å; G35-G86 CarbonylContact O-C 3.55Å; G35-G86 WeakPolarHBondContact O-CA 3.48Å; T48-G86 WeakPolarHBondContact OG1-CA 3.34Å
87E98.6Very high97.5Very high2 Ų225.4 Ų25.41%0.00913%0.132CC..  trans-139.1102.6173173.447.9-115.300109.5G35 L89 L90 S113 C114 P117G35-E87 PolarHBondContact O-N 3.44Å; E87-L89 VanDerWaalsContact C-N 3.27Å; E87-L89 PolarHBondContact O-N 3.21Å; E87-L89 WeakPolarHBondContact OE1-CB 3.37Å; E87-L89 WeakPolarHBondContact OE1-CG 3.29Å; E87-L89 PolarHBondContact OE1-N 3.3Å; E87-L90 HydrophobicContact CB-CD1 4.1Å; E87-L90 HydrophobicContact CB-CG 4.16Å; E87-L90 HydrophobicContact CG-CG 4.05Å; E87-L90 WeakPolarHBondContact O-CB 3.19Å; E87-L90 PolarHBondContact O-N 3.15Å; E87-S113 PolarHBondContact OE1-OG 3.06Å; E87-S113 PolarHBondContact OE2-OG 3.02Å; E87-C114 PolarHBondContact OE2-N 2.98Å; E87-C114 PolarHBondContact OE2-SG 2.97Å; E87-P117 HydrophobicContact CG-CG 3.5Å
88P98.7Very high98Very high1 Ų116.1 Ų16.11%0.0069%0.091CC..G310 helixtrans-55.6-36.2-177.2-30.237.9000114.7M33 V83 S84 L90 Q91 L95 L111 D112M33-P88 HydrophobicContact CG-CB 4.16Å; M33-P88 HydrophobicContact CG-CG 4.27Å; V83-P88 HydrophobicContact CG1-CB 3.97Å; V83-P88 HydrophobicContact CG1-CG 4.08Å; S84-P88 WeakPolarHBondContact O-CG 3.26Å; P88-L90 PolarHBondContact O-N 2.66Å; P88-Q91 PolarHBondContact O-N 3.48Å; P88-L95 HydrophobicContact CB-CD1 3.79Å; P88-L95 HydrophobicContact CB-CD2 4.03Å; P88-L95 HydrophobicContact CB-CG 4.45Å; P88-L95 VanDerWaalsContact O-CD1 3.31Å; P88-L95 WeakPolarHBondContact O-CD1 3.41Å; P88-L111 HydrophobicContact CB-CD1 3.68Å; P88-L111 HydrophobicContact CG-CD1 4.14Å; P88-D112 WeakPolarHBondContact CD-O 3.32Å; P88-D112 VanDerWaalsContact CG-O 3.29Å; P88-D112 WeakPolarHBondContact CG-O 3.46Å
89L98.7Very high98.4Very high3 Ų312.6 Ų12.62%0.0168%0.076CC..G310 helixtrans-64.6-12.1-176.7-66.6176000113.3E87 Q91 L95 L111 S113 P117 F128 L131 M164E87-L89 VanDerWaalsContact C-N 3.27Å; E87-L89 PolarHBondContact O-N 3.21Å; E87-L89 WeakPolarHBondContact OE1-CB 3.37Å; E87-L89 WeakPolarHBondContact OE1-CG 3.29Å; E87-L89 PolarHBondContact OE1-N 3.3Å; L89-Q91 PolarHBondContact O-N 3.36Å; L89-L95 HydrophobicContact CD2-CD1 4.22Å; L89-L111 HydrophobicContact CD2-CD2 3.91Å; L89-L111 HydrophobicContact CG-CD2 4.44Å; L89-S113 VanDerWaalsContact CD1-OG 3.29Å; L89-S113 WeakPolarHBondContact CD1-OG 3.4Å; L89-P117 HydrophobicContact CB-CB 4.07Å; L89-P117 HydrophobicContact CB-CG 3.87Å; L89-F128 HydrophobicContact CD1-CE2 4.09Å; L89-F128 HydrophobicContact CD2-CD2 4.01Å; L89-F128 HydrophobicContact CD2-CE2 3.98Å; L89-L131 HydrophobicContact CD2-CD2 3.8Å; L89-M164 HydrophobicContact CD1-CE 4.1Å; L89-M164 HydrophobicContact CD1-SD 4.07Å
90L98.5Very high98.5Very high43 Ų4316.5 Ų16.523%0.2259%0.091CC..G310 helixtrans-67.9-18.1169.9-65.7177.4000113.2R37 I51 E87 P88 P117R37-L90 HydrophobicContact CG-CD1 4.27Å; R37-L90 HydrophobicContact CG-CD2 4.22Å; I51-L90 HydrophobicContact CD1-CD1 4.36Å; I51-L90 HydrophobicContact CG1-CD1 4.34Å; E87-L90 HydrophobicContact CB-CD1 4.1Å; E87-L90 HydrophobicContact CB-CG 4.16Å; E87-L90 HydrophobicContact CG-CG 4.05Å; E87-L90 WeakPolarHBondContact O-CB 3.19Å; E87-L90 PolarHBondContact O-N 3.15Å; P88-L90 PolarHBondContact O-N 2.66Å; L90-P117 HydrophobicContact CD2-CB 4.25Å; L90-P117 HydrophobicContact CD2-CG 3.67Å; L90-P117 HydrophobicContact CG-CG 4.04Å
91Q98.5Very high98.6Very high29 Ų2919.2 Ų19.214%0.13610%0.102CC..G310 helixtrans-122.645.4-178.2-59.2-171.355.800110.8N12 M33 Q34 P88 L89 D93 F94 L95N12-Q91 PolarHBondContact O-NE2 3.14Å; M33-Q91 HydrophobicContact CE-CB 3.76Å; M33-Q91 VanDerWaalsContact CE-CD 3.42Å; M33-Q91 HydrophobicContact CE-CG 4.12Å; Q34-Q91 PolarHBondContact O-NE2 3.05Å; P88-Q91 PolarHBondContact O-N 3.48Å; L89-Q91 PolarHBondContact O-N 3.36Å; Q91-D93 VanDerWaalsContact C-N 3.31Å; Q91-D93 PolarHBondContact O-N 3.5Å; Q91-F94 HydrophobicContact CB-CB 4.46Å; Q91-F94 WeakPolarHBondContact O-CB 3.06Å; Q91-F94 PolarHBondContact O-N 2.95Å; Q91-L95 PolarHBondContact O-N 3.44Å; Q91-L95 VanDerWaalsContact O-N 3.14Å
92I98.7Very high98.6Very high14 Ų1419.1 Ų19.17%0.07210%0.102CC..Hα-helixtrans-57.9-36.3-169-161164.7000114.4F94 L95 I96 F124 K127 F128 L131I92-F94 VanDerWaalsContact C-N 3.29Å; I92-F94 PolarHBondContact O-N 3.24Å; I92-L95 WeakPolarHBondContact O-CB 3.5Å; I92-L95 PolarHBondContact O-N 2.83Å; I92-L95 VanDerWaalsContact O-N 3.13Å; I92-I96 HydrophobicContact CG1-CD1 4.38Å; I92-I96 WeakPolarHBondContact O-CG1 3.45Å; I92-I96 PolarHBondContact O-N 3.18Å; I92-F124 HydrophobicContact CD1-CD2 4.26Å; I92-F124 HydrophobicContact CD1-CE2 3.87Å; I92-F124 HydrophobicContact CD1-CZ 4.17Å; I92-K127 HydrophobicContact CD1-CB 3.93Å; I92-K127 HydrophobicContact CG1-CB 4.28Å; I92-K127 HydrophobicContact CG2-CB 4.16Å; I92-K127 HydrophobicContact CG2-CD 3.87Å; I92-F128 HydrophobicContact CD1-CB 4.03Å; I92-F128 HydrophobicContact CD1-CD2 4.43Å; I92-L131 HydrophobicContact CG1-CD2 4.11Å
93D98.5Very high98.5Very high71 Ų7122.2 Ų22.238%0.3812%0.116SC..Hα-helixtrans-61.8-39.4177.7-67-39.3000111.6I9 Q91 D97 K127I9-D93 HydrophobicContact CG2-CB 4.33Å; Q91-D93 VanDerWaalsContact C-N 3.31Å; Q91-D93 PolarHBondContact O-N 3.5Å; D93-D97 PolarHBondContact O-N 3.36Å; D93-K127 VanDerWaalsContact OD1-CD 3.28Å; D93-K127 WeakPolarHBondContact OD1-CD 3.26Å; D93-K127 WeakPolarHBondContact OD1-CE 3.31Å; D93-K127 IonicContact OD1-NZ 2.69Å; D93-K127 PolarHBondContact OD1-NZ 2.92Å; D93-K127 IonicContact OD2-NZ 2.93Å; D93-K127 PolarHBondContact OD2-NZ 3.23Å
94F98.6Very high98.5Very high3 Ų326.6 Ų26.61%0.01315%0.151CC..Hα-helixtrans-69.6-38.4175178.9-100.4000112I9 G11 I13 M33 R59 L64 Q91 I92 I96 D97 L98I9-F94 HydrophobicContact CG2-CB 3.96Å; I9-F94 HydrophobicContact CG2-CD2 4.28Å; G11-F94 VanDerWaalsContact N-CE2 3.29Å; I13-F94 HydrophobicContact CD1-CE1 3.92Å; I13-F94 HydrophobicContact CD1-CZ 4.18Å; M33-F94 HydrophobicContact CE-CD1 3.41Å; M33-F94 VanDerWaalsContact CE-CD1 3.41Å; M33-F94 HydrophobicContact CE-CE1 3.8Å; M33-F94 HydrophobicContact CE-CG 4.33Å; M33-F94 HydrophobicContact SD-CD1 4.11Å; M33-F94 HydrophobicContact SD-CE1 3.96Å; R59-F94 VanDerWaalsContact O-CE2 3.31Å; R59-F94 WeakPolarHBondContact O-CE2 3.33Å; L64-F94 HydrophobicContact CD1-CE1 4.02Å; L64-F94 HydrophobicContact CD1-CZ 3.54Å; Q91-F94 HydrophobicContact CB-CB 4.46Å; Q91-F94 WeakPolarHBondContact O-CB 3.06Å; Q91-F94 PolarHBondContact O-N 2.95Å; I92-F94 VanDerWaalsContact C-N 3.29Å; I92-F94 PolarHBondContact O-N 3.24Å; F94-I96 VanDerWaalsContact C-N 3.34Å; F94-D97 PolarHBondContact O-N 3.39Å; F94-L98 HydrophobicContact CE1-CD2 4.08Å; F94-L98 WeakPolarHBondContact O-CB 3.38Å; F94-L98 PolarHBondContact O-N 2.88Å
95L98.8Very high98.4Very high0 Ų029.3 Ų29.30%016%0.163CC..Hα-helixtrans-61.6-43.7175.9-64.7-175.9000111.9V83 P88 L89 Q91 I92 L98 F99 L111 L131V83-L95 HydrophobicContact CB-CD2 4Å; V83-L95 HydrophobicContact CG1-CD2 3.5Å; V83-L95 HydrophobicContact CG2-CD2 4.22Å; P88-L95 HydrophobicContact CB-CD1 3.79Å; P88-L95 HydrophobicContact CB-CD2 4.03Å; P88-L95 HydrophobicContact CB-CG 4.45Å; P88-L95 VanDerWaalsContact O-CD1 3.31Å; P88-L95 WeakPolarHBondContact O-CD1 3.41Å; L89-L95 HydrophobicContact CD2-CD1 4.22Å; Q91-L95 PolarHBondContact O-N 3.44Å; Q91-L95 VanDerWaalsContact O-N 3.14Å; I92-L95 WeakPolarHBondContact O-CB 3.5Å; I92-L95 PolarHBondContact O-N 2.83Å; I92-L95 VanDerWaalsContact O-N 3.13Å; L95-L98 PolarHBondContact O-N 3.4Å; L95-F99 WeakPolarHBondContact O-CB 3.42Å; L95-F99 PolarHBondContact O-N 2.9Å; L95-L111 HydrophobicContact CD1-CD1 4Å; L95-L131 HydrophobicContact CB-CD1 3.69Å; L95-L131 HydrophobicContact CB-CD2 4.04Å; L95-L131 HydrophobicContact CD1-CD2 3.74Å
96I98.8Very high98.4Very high13 Ų1331.3 Ų31.37%0.06718%0.184CC..Hα-helixtrans-59.4-50.6176.8-68.1165.2000109.6I92 F94 L98 F99 K100 K127 E130 L131I92-I96 HydrophobicContact CG1-CD1 4.38Å; I92-I96 WeakPolarHBondContact O-CG1 3.45Å; I92-I96 PolarHBondContact O-N 3.18Å; F94-I96 VanDerWaalsContact C-N 3.34Å; I96-L98 PolarHBondContact O-N 2.77Å; I96-F99 PolarHBondContact O-N 3.41Å; I96-K100 WeakPolarHBondContact O-CB 3.43Å; I96-K100 PolarHBondContact O-N 3.38Å; I96-K127 HydrophobicContact CD1-CB 3.91Å; I96-K127 HydrophobicContact CD1-CG 4.31Å; I96-K127 WeakPolarHBondContact CD1-O 3.17Å; I96-E130 HydrophobicContact CD1-CB 4.33Å; I96-E130 HydrophobicContact CD1-CG 4.45Å; I96-E130 HydrophobicContact CG2-CG 3.94Å; I96-E130 WeakPolarHBondContact CG2-OE1 3.32Å; I96-L131 HydrophobicContact CG1-CB 3.91Å; I96-L131 HydrophobicContact CG1-CD1 4.38Å
97D98.7Very high98.3Very high31 Ų3130.6 Ų30.617%0.16618%0.176CC..Hα-helixtrans-58.2-48.8179.1-170.649.3000111.7I9 A61 D93 F94 K101I9-D97 HydrophobicContact CD1-CB 4.23Å; A61-D97 HydrophobicContact CB-CB 4.45Å; A61-D97 WeakPolarHBondContact CB-OD2 3.48Å; D93-D97 PolarHBondContact O-N 3.36Å; F94-D97 PolarHBondContact O-N 3.39Å; D97-K101 WeakPolarHBondContact O-CB 3.37Å; D97-K101 WeakPolarHBondContact O-CD 3.38Å; D97-K101 VanDerWaalsContact O-CG 3.28Å; D97-K101 WeakPolarHBondContact O-CG 3.38Å; D97-K101 PolarHBondContact O-N 2.7Å; D97-K101 VanDerWaalsContact O-N 3.12Å; D97-K101 WeakPolarHBondContact OD1-CE 3.38Å; D97-K101 IonicContact OD1-NZ 3.12Å; D97-K101 PolarHBondContact OD1-NZ 2.78Å; D97-K101 VanDerWaalsContact OD1-NZ 3.12Å; D97-K101 IonicContact OD2-NZ 2.86Å; D97-K101 PolarHBondContact OD2-NZ 2.89Å
98L98.8Very high98.3Very high1 Ų131.6 Ų31.61%0.00518%0.182CC..Hα-helixtrans-62.6-49.8-179.3179.159.7000112.3A61 L64 L65 V83 F94 L95 I96 A102A61-L98 HydrophobicContact CB-CB 4.1Å; A61-L98 HydrophobicContact CB-CD1 4.1Å; L64-L98 HydrophobicContact CB-CD1 4.4Å; L64-L98 HydrophobicContact CD1-CD2 4.27Å; L65-L98 HydrophobicContact CD1-CD1 4.17Å; L65-L98 HydrophobicContact CD2-CD1 3.9Å; L65-L98 HydrophobicContact CG-CD1 3.74Å; V83-L98 HydrophobicContact CG2-CD2 3.65Å; F94-L98 HydrophobicContact CE1-CD2 4.08Å; F94-L98 WeakPolarHBondContact O-CB 3.38Å; F94-L98 PolarHBondContact O-N 2.88Å; L95-L98 PolarHBondContact O-N 3.4Å; I96-L98 PolarHBondContact O-N 2.77Å; L98-A102 VanDerWaalsContact O-CB 3.25Å; L98-A102 WeakPolarHBondContact O-CB 3.2Å; L98-A102 PolarHBondContact O-N 3.46Å
99F98.9Very high98.3Very high0 Ų031.5 Ų31.50%018%0.181CC..Hα-helixtrans-71.4-40.7-176.6-79.711000111.9V83 L95 I96 K101 A102 K103 T109 T110 L111 L131 T135V83-F99 HydrophobicContact CB-CE1 4.32Å; V83-F99 HydrophobicContact CB-CZ 4.36Å; V83-F99 HydrophobicContact CG2-CD1 4.46Å; V83-F99 HydrophobicContact CG2-CE1 3.48Å; V83-F99 VanDerWaalsContact CG2-CE1 3.48Å; V83-F99 HydrophobicContact CG2-CZ 4Å; L95-F99 WeakPolarHBondContact O-CB 3.42Å; L95-F99 PolarHBondContact O-N 2.9Å; I96-F99 PolarHBondContact O-N 3.41Å; F99-K101 VanDerWaalsContact C-N 3.32Å; F99-K101 PolarHBondContact O-N 3.49Å; F99-A102 PolarHBondContact O-N 2.84Å; F99-K103 WeakPolarHBondContact O-CB 3.29Å; F99-K103 VanDerWaalsContact O-CG 3.26Å; F99-K103 WeakPolarHBondContact O-CG 3.34Å; F99-K103 PolarHBondContact O-N 3.18Å; F99-T109 HydrophobicContact CB-CG2 4.23Å; F99-T109 HydrophobicContact CD1-CG2 3.9Å; F99-T109 HydrophobicContact CD2-CG2 4.35Å; F99-T109 HydrophobicContact CE1-CG2 4.3Å; F99-T109 HydrophobicContact CG-CG2 3.93Å; F99-T110 WeakPolarHBondContact CZ-O 3.31Å; F99-L111 HydrophobicContact CE2-CB 4.16Å; F99-L111 HydrophobicContact CZ-CB 4.41Å; F99-L131 HydrophobicContact CB-CD1 4.37Å; F99-L131 HydrophobicContact CD2-CD1 3.68Å; F99-L131 HydrophobicContact CE2-CD1 4.29Å; F99-L131 HydrophobicContact CG-CD1 4.24Å; F99-T135 WeakPolarHBondContact CD2-OG1 3.41Å; F99-T135 HydrophobicContact CE2-CG2 4.13Å; F99-T135 WeakPolarHBondContact CE2-OG1 3.3Å
100K98.7Very high98.3Very high91 Ų9131.4 Ų31.440%0.39618%0.181SC..Hα-helixtrans-57.4-46.2175.6-172.9171-165.1157.60111.5I96 A104 E130 Y134I96-K100 WeakPolarHBondContact O-CB 3.43Å; I96-K100 PolarHBondContact O-N 3.38Å; K100-A104 PolarHBondContact O-N 3.21Å; K100-A104 VanDerWaalsContact O-N 3.09Å; K100-E130 IonicContact NZ-OE1 3.52Å; K100-E130 PolarHBondContact NZ-OE1 3.13Å; K100-Y134 HydrophobicContact CB-CD1 4.25Å; K100-Y134 HydrophobicContact CB-CD2 3.91Å; K100-Y134 HydrophobicContact CB-CE1 4.28Å; K100-Y134 HydrophobicContact CB-CE2 3.9Å; K100-Y134 HydrophobicContact CB-CG 4.08Å; K100-Y134 HydrophobicContact CD-CE2 3.83Å; K100-Y134 WeakPolarHBondContact CE-OH 3.44Å; K100-Y134 HydrophobicContact CG-CD1 4.34Å; K100-Y134 HydrophobicContact CG-CD2 4.36Å; K100-Y134 HydrophobicContact CG-CE1 3.89Å; K100-Y134 HydrophobicContact CG-CE2 3.88Å; K100-Y134 PolarHBondContact NZ-OH 2.97Å
101K98.6Very high98.3Very high56 Ų5629.3 Ų29.324%0.24317%0.17CC..Hα-helixtrans-67.8-42.4175.8-71170.9174.6174.10112.3A61 D62 L65 D97 F99 K103 A104 M105A61-K101 HydrophobicContact CB-CD 3.81Å; D62-K101 WeakPolarHBondContact OD1-CD 3.19Å; D62-K101 VanDerWaalsContact OD1-CE 3.31Å; D62-K101 WeakPolarHBondContact OD1-CE 3.22Å; D62-K101 IonicContact OD1-NZ 2.91Å; D62-K101 PolarHBondContact OD1-NZ 3.17Å; D62-K101 IonicContact OD2-NZ 3.22Å; D62-K101 PolarHBondContact OD2-NZ 3.23Å; L65-K101 HydrophobicContact CD1-CB 3.38Å; L65-K101 HydrophobicContact CD1-CD 4.36Å; L65-K101 HydrophobicContact CD1-CG 4.5Å; D97-K101 WeakPolarHBondContact O-CB 3.37Å; D97-K101 WeakPolarHBondContact O-CD 3.38Å; D97-K101 VanDerWaalsContact O-CG 3.28Å; D97-K101 WeakPolarHBondContact O-CG 3.38Å; D97-K101 PolarHBondContact O-N 2.7Å; D97-K101 VanDerWaalsContact O-N 3.12Å; D97-K101 WeakPolarHBondContact OD1-CE 3.38Å; D97-K101 IonicContact OD1-NZ 3.12Å; D97-K101 PolarHBondContact OD1-NZ 2.78Å; D97-K101 VanDerWaalsContact OD1-NZ 3.12Å; D97-K101 IonicContact OD2-NZ 2.86Å; D97-K101 PolarHBondContact OD2-NZ 2.89Å; F99-K101 VanDerWaalsContact C-N 3.32Å; F99-K101 PolarHBondContact O-N 3.49Å; K101-K103 VanDerWaalsContact C-N 3.35Å; K101-K103 PolarHBondContact O-N 3.19Å; K101-A104 WeakPolarHBondContact O-CB 3.29Å; K101-A104 PolarHBondContact O-N 3.17Å; K101-M105 WeakPolarHBondContact O-CG 3.45Å; K101-M105 PolarHBondContact O-N 2.77Å
102A98.4Very high98.3Very high0 Ų028.6 Ų28.60%017%0.167CC..Hα-helixtrans-58.3-45.9175.400000111.8L65 I81 L98 F99 A104 M105 G106 I107 T109L65-A102 HydrophobicContact CD2-CB 3.86Å; I81-A102 HydrophobicContact CD1-CB 4.47Å; L98-A102 VanDerWaalsContact O-CB 3.25Å; L98-A102 WeakPolarHBondContact O-CB 3.2Å; L98-A102 PolarHBondContact O-N 3.46Å; F99-A102 PolarHBondContact O-N 2.84Å; A102-A104 PolarHBondContact O-N 2.79Å; A102-M105 CarbonylContact O-C 3.55Å; A102-M105 WeakPolarHBondContact O-CA 3.43Å; A102-M105 WeakPolarHBondContact O-CB 3.26Å; A102-M105 PolarHBondContact O-N 2.86Å; A102-G106 PolarHBondContact O-N 3.15Å; A102-I107 HydrophobicContact CB-CB 4.09Å; A102-I107 HydrophobicContact CB-CG2 4.4Å; A102-I107 WeakPolarHBondContact O-CB 3.37Å; A102-I107 PolarHBondContact O-N 2.96Å; A102-T109 HydrophobicContact CB-CG2 3.81Å
103K98.1Very high98.3Very high65 Ų6528 Ų2828%0.28316%0.164SC..Hα-helixtrans-62-41.1177.2-70.3-56.4-56.2-174.50111.8F99 K101 M105 G106 T109 Y134 D136F99-K103 WeakPolarHBondContact O-CB 3.29Å; F99-K103 VanDerWaalsContact O-CG 3.26Å; F99-K103 WeakPolarHBondContact O-CG 3.34Å; F99-K103 PolarHBondContact O-N 3.18Å; K101-K103 VanDerWaalsContact C-N 3.35Å; K101-K103 PolarHBondContact O-N 3.19Å; K103-M105 PolarHBondContact O-N 3.07Å; K103-M105 VanDerWaalsContact O-N 3.15Å; K103-G106 PolarHBondContact O-N 2.77Å; K103-T109 HydrophobicContact CD-CG2 4Å; K103-T109 HydrophobicContact CG-CG2 4.3Å; K103-Y134 HydrophobicContact CB-CD1 4.44Å; K103-Y134 HydrophobicContact CG-CD1 4.27Å; K103-D136 IonicContact NZ-OD1 2.86Å; K103-D136 PolarHBondContact NZ-OD1 3.36Å; K103-D136 IonicContact NZ-OD2 3.18Å; K103-D136 PolarHBondContact NZ-OD2 3.21Å
104A98.3Very high98.3Very high91 Ų9125 Ų2575%0.75215%0.148SC*.Hα-helixtrans-59.9-23.3174.300000113.1K100 K101 A102K100-A104 PolarHBondContact O-N 3.21Å; K100-A104 VanDerWaalsContact O-N 3.09Å; K101-A104 WeakPolarHBondContact O-CB 3.29Å; K101-A104 PolarHBondContact O-N 3.17Å; A102-A104 PolarHBondContact O-N 2.79Å
105M97Very high98.3Very high70 Ų7024.8 Ų24.835%0.34515%0.147SC..THydrogen-bonded Turntrans-96.610.3177.1-58.6167.876.600113.3L65 L69 R72 K101 A102 K103 I107L65-M105 HydrophobicContact CB-SD 4.28Å; L65-M105 HydrophobicContact CD1-SD 4.05Å; L65-M105 HydrophobicContact CD2-SD 4.42Å; L65-M105 HydrophobicContact CG-SD 4.49Å; L69-M105 HydrophobicContact CD1-CE 3.24Å; L69-M105 HydrophobicContact CD2-CE 3.96Å; L69-M105 HydrophobicContact CG-CE 3.75Å; R72-M105 PolarHBondContact NH1-O 2.87Å; R72-M105 PolarHBondContact NH2-O 2.95Å; K101-M105 WeakPolarHBondContact O-CG 3.45Å; K101-M105 PolarHBondContact O-N 2.77Å; A102-M105 CarbonylContact O-C 3.55Å; A102-M105 WeakPolarHBondContact O-CA 3.43Å; A102-M105 WeakPolarHBondContact O-CB 3.26Å; A102-M105 PolarHBondContact O-N 2.86Å; K103-M105 PolarHBondContact O-N 3.07Å; K103-M105 VanDerWaalsContact O-N 3.15Å; M105-I107 VanDerWaalsContact C-N 3.27Å; M105-I107 HydrophobicContact CB-CD1 3.95Å; M105-I107 HydrophobicContact CB-CG1 3.98Å; M105-I107 PolarHBondContact O-N 2.84Å; M105-I107 HydrophobicContact SD-CD1 4.38Å
106G96.2Very high98.3Very high56 Ų5626.6 Ų26.658%0.57716%0.155SC*.THydrogen-bonded Turntrans61.833-177.100000113.2R72 A102 K103R72-G106 PolarHBondContact NH2-O 3.02Å; A102-G106 PolarHBondContact O-N 3.15Å; K103-G106 PolarHBondContact O-N 2.77Å
107I97.1Very high98.2Very high3 Ų326.9 Ų26.92%0.01516%0.158CC..  trans-94.2133.5177.8-57.5175.8000108.7L65 L69 W75 I81 A102 M105L65-I107 HydrophobicContact CD2-CD1 4.09Å; L69-I107 HydrophobicContact CD2-CD1 4.24Å; W75-I107 HydrophobicContact CE3-CG2 4.49Å; W75-I107 HydrophobicContact CH2-CD1 4.16Å; W75-I107 HydrophobicContact CH2-CG2 4.09Å; W75-I107 HydrophobicContact CZ3-CB 4.38Å; W75-I107 HydrophobicContact CZ3-CD1 4.1Å; W75-I107 HydrophobicContact CZ3-CG1 3.98Å; W75-I107 HydrophobicContact CZ3-CG2 3.65Å; I81-I107 HydrophobicContact CB-CG2 4.41Å; I81-I107 HydrophobicContact CD1-CD1 4.34Å; I81-I107 HydrophobicContact CD1-CG2 4.01Å; I81-I107 HydrophobicContact CG1-CG2 3.96Å; A102-I107 HydrophobicContact CB-CB 4.09Å; A102-I107 HydrophobicContact CB-CG2 4.4Å; A102-I107 WeakPolarHBondContact O-CB 3.37Å; A102-I107 PolarHBondContact O-N 2.96Å; M105-I107 VanDerWaalsContact C-N 3.27Å; M105-I107 HydrophobicContact CB-CD1 3.95Å; M105-I107 HydrophobicContact CB-CG1 3.98Å; M105-I107 PolarHBondContact O-N 2.84Å; M105-I107 HydrophobicContact SD-CD1 4.38Å
108N97.3Very high98.2Very high22 Ų2225.6 Ų25.612%0.11815%0.151CC..EExtended strand (participates in β ladder)trans-73.1139.4172.6177.5-91000110.5R28 G79 G80 I81 D136R28-N108 PolarHBondContact NH1-OD1 2.94Å; R28-N108 PolarHBondContact NH2-O 2.86Å; R28-N108 VanDerWaalsContact NH2-O 3.16Å; R28-N108 PolarHBondContact NH2-OD1 3.03Å; G79-N108 WeakPolarHBondContact O-CB 3.46Å; G80-N108 WeakPolarHBondContact CA-O 3.35Å; I81-N108 PolarHBondContact N-O 2.76Å; N108-D136 WeakPolarHBondContact CA-OD2 3.44Å; N108-D136 WeakPolarHBondContact ND2-CB 3.31Å; N108-D136 PolarHBondContact ND2-OD2 3.06Å
109T98.5Very high98.2Very high0 Ų027.5 Ų27.50%016%0.163CC..EExtended strand (participates in β ladder)trans-122.3128.4-170.652.60000111.4F99 A102 K103 Y134 D136 L137F99-T109 HydrophobicContact CB-CG2 4.23Å; F99-T109 HydrophobicContact CD1-CG2 3.9Å; F99-T109 HydrophobicContact CD2-CG2 4.35Å; F99-T109 HydrophobicContact CE1-CG2 4.3Å; F99-T109 HydrophobicContact CG-CG2 3.93Å; A102-T109 HydrophobicContact CB-CG2 3.81Å; K103-T109 HydrophobicContact CD-CG2 4Å; K103-T109 HydrophobicContact CG-CG2 4.3Å; T109-Y134 PolarHBondContact OG1-O 3.39Å; T109-D136 PolarHBondContact N-OD2 2.77Å; T109-D136 WeakPolarHBondContact O-CB 3.42Å; T109-D136 PolarHBondContact O-N 2.88Å; T109-D136 VanDerWaalsContact O-N 3.09Å; T109-D136 PolarHBondContact OG1-N 2.96Å; T109-D136 VanDerWaalsContact OG1-N 3.13Å; T109-D136 PolarHBondContact OG1-OD2 2.82Å; T109-L137 PolarHBondContact O-N 2.93Å
110T98.6Very high98.2Very high0 Ų032.5 Ų32.50%018%0.184CC..EExtended strand (participates in β ladder)trans-124.6127.9177.2-65.80000109.5R28 I81 T82 V83 F99 L137 L139R28-T110 PolarHBondContact NH2-OG1 2.96Å; I81-T110 PolarHBondContact O-N 3.46Å; T82-T110 CarbonylContact C-O 3.27Å; T82-T110 VanDerWaalsContact CA-O 3.26Å; T82-T110 WeakPolarHBondContact CA-O 3.33Å; T82-T110 HydrophobicContact CG2-CG2 4.16Å; T82-T110 WeakPolarHBondContact OG1-CB 3.28Å; V83-T110 PolarHBondContact N-O 2.91Å; F99-T110 WeakPolarHBondContact CZ-O 3.31Å; T110-L137 VanDerWaalsContact CA-O 3.31Å; T110-L137 WeakPolarHBondContact CA-O 3.15Å; T110-L137 HydrophobicContact CG2-CB 4.45Å; T110-L137 HydrophobicContact CG2-CD2 4.24Å; T110-L137 HydrophobicContact CG2-CG 4.3Å; T110-L139 HydrophobicContact CG2-CD1 4.06Å; T110-L139 HydrophobicContact CG2-CD2 4.29Å; T110-L139 HydrophobicContact CG2-CG 3.64Å
111L98.9Very high98.2Very high0 Ų035.1 Ų35.10%020%0.198CC..EExtended strand (participates in β ladder)trans-96.6128.4169.5175.763.8000109P88 L89 L95 F99 L131 M132 T135 L137 I138 L139P88-L111 HydrophobicContact CB-CD1 3.68Å; P88-L111 HydrophobicContact CG-CD1 4.14Å; L89-L111 HydrophobicContact CD2-CD2 3.91Å; L89-L111 HydrophobicContact CG-CD2 4.44Å; L95-L111 HydrophobicContact CD1-CD1 4Å; F99-L111 HydrophobicContact CE2-CB 4.16Å; F99-L111 HydrophobicContact CZ-CB 4.41Å; L111-L131 HydrophobicContact CD2-CD2 4.28Å; L111-M132 HydrophobicContact CD2-CE 4.2Å; L111-T135 HydrophobicContact CB-CG2 3.96Å; L111-L137 PolarHBondContact N-O 3.25Å; L111-I138 HydrophobicContact CB-CG1 4.39Å; L111-I138 CarbonylContact O-C 3.55Å; L111-I138 VanDerWaalsContact O-CA 3.27Å; L111-I138 WeakPolarHBondContact O-CA 3.44Å; L111-L139 PolarHBondContact O-N 3.1Å
112D98.8Very high98.2Very high13 Ų1337.8 Ų37.87%0.0721%0.212CC..EExtended strand (participates in β ladder)trans-111.6111.1172.6-175.126.6000109.2T82 V83 S84 P88 L139 R178T82-D112 HydrophobicContact CG2-CB 4.03Å; V83-D112 PolarHBondContact O-N 3.25Å; S84-D112 WeakPolarHBondContact CB-OD2 3.45Å; S84-D112 PolarHBondContact OG-OD2 3.36Å; P88-D112 WeakPolarHBondContact CD-O 3.32Å; P88-D112 VanDerWaalsContact CG-O 3.29Å; P88-D112 WeakPolarHBondContact CG-O 3.46Å; D112-L139 WeakPolarHBondContact CA-O 3.34Å; D112-L139 HydrophobicContact CB-CB 4.08Å; D112-L139 HydrophobicContact CB-CD1 4.31Å; D112-L139 WeakPolarHBondContact OD1-CB 3.35Å; D112-R178 IonicContact OD1-NH1 3.03Å; D112-R178 IonicContact OD2-NH1 3.8Å
113S98.8Very high98.1Very high2 Ų242 Ų421%0.01424%0.239CC..EExtended strand (participates in β ladder)trans-144.7146.9-164.5-176.90000112.2E87 L89 G115 L139 F140 D141E87-S113 PolarHBondContact OE1-OG 3.06Å; E87-S113 PolarHBondContact OE2-OG 3.02Å; L89-S113 VanDerWaalsContact CD1-OG 3.29Å; L89-S113 WeakPolarHBondContact CD1-OG 3.4Å; S113-G115 PolarHBondContact OG-N 3.28Å; S113-L139 PolarHBondContact N-O 3.32Å; S113-F140 WeakPolarHBondContact O-CD2 3.13Å; S113-D141 PolarHBondContact O-N 3.33Å; S113-D141 VanDerWaalsContact O-N 3.13Å
114C98.3Very high98.1Very high7 Ų740.4 Ų40.45%0.04723%0.232CC..  trans-92.1-3.6168.176.90000113.4M38 E87 K116 D141 I161M38-C114 HydrophobicContact SD-CB 3.91Å; M38-C114 PolarHBondContact SD-SG 3.34Å; E87-C114 PolarHBondContact OE2-N 2.98Å; E87-C114 PolarHBondContact OE2-SG 2.97Å; C114-K116 PolarHBondContact O-N 2.94Å; C114-D141 HydrophobicContact CB-CB 4.27Å; C114-I161 WeakPolarHBondContact O-CD1 3.42Å; C114-I161 WeakPolarHBondContact O-CG1 3.39Å; C114-I161 WeakPolarHBondContact O-CG2 3.21Å
115G98.6Very high98.2Very high0 Ų037.5 Ų37.50%020%0.202CC..  trans69.31.4176.100000115.9S113 P117 F118 N160 M164S113-G115 PolarHBondContact OG-N 3.28Å; G115-P117 VanDerWaalsContact C-N 3.27Å; G115-P117 VanDerWaalsContact O-N 3.12Å; G115-F118 VanDerWaalsContact O-CB 3.28Å; G115-F118 WeakPolarHBondContact O-CB 3.4Å; G115-F118 PolarHBondContact O-N 3.21Å; G115-N160 PolarHBondContact O-ND2 2.84Å; G115-M164 WeakPolarHBondContact CA-SD 3.42Å
116K98.2Very high98.2Very high37 Ų3736.7 Ų36.716%0.16120%0.204CC..THydrogen-bonded Turntrans-55.4-31.3-176.4-174.967-148.585.80114.7M38 C114 F118 H156 N160 I161M38-K116 HydrophobicContact CE-CD 4.42Å; M38-K116 HydrophobicContact CG-CB 4.08Å; M38-K116 HydrophobicContact CG-CG 4.16Å; M38-K116 HydrophobicContact SD-CB 4.42Å; C114-K116 PolarHBondContact O-N 2.94Å; K116-F118 VanDerWaalsContact C-N 3.34Å; K116-H156 HydrophobicContact CD-CB 3.81Å; K116-N160 VanDerWaalsContact C-ND2 3.34Å; K116-N160 PolarHBondContact NZ-OD1 2.92Å; K116-N160 PolarHBondContact O-ND2 3.13Å; K116-I161 HydrophobicContact CD-CD1 4.44Å
117P98.2Very high98.4Very high19 Ų1936.8 Ų36.812%0.12319%0.188CC..THydrogen-bonded Turntrans-77.4-11.2176.3-21.837.5000115.4E87 L89 L90 G115 T119 F124E87-P117 HydrophobicContact CG-CG 3.5Å; L89-P117 HydrophobicContact CB-CB 4.07Å; L89-P117 HydrophobicContact CB-CG 3.87Å; L90-P117 HydrophobicContact CD2-CB 4.25Å; L90-P117 HydrophobicContact CD2-CG 3.67Å; L90-P117 HydrophobicContact CG-CG 4.04Å; G115-P117 VanDerWaalsContact C-N 3.27Å; G115-P117 VanDerWaalsContact O-N 3.12Å; P117-T119 PolarHBondContact O-N 2.82Å; P117-F124 HydrophobicContact CB-CE2 4.13Å; P117-F124 HydrophobicContact CB-CZ 4.47Å
118F98.8Very high98.5Very high4 Ų436.6 Ų36.62%0.01819%0.188CC..  trans-58.5135.9-174.6-178.5-96.5000112.6G115 K116 F120 F124 F125 F128 N160 E163 M164 Y167G115-F118 VanDerWaalsContact O-CB 3.28Å; G115-F118 WeakPolarHBondContact O-CB 3.4Å; G115-F118 PolarHBondContact O-N 3.21Å; K116-F118 VanDerWaalsContact C-N 3.34Å; F118-F120 HydrophobicContact CE1-CD2 4.25Å; F118-F120 HydrophobicContact CE1-CE1 4.23Å; F118-F120 AromaticContact CE1-CE2 3.78Å; F118-F120 HydrophobicContact CE1-CE2 3.78Å; F118-F120 AromaticContact CE1-CZ 3.76Å; F118-F120 HydrophobicContact CE1-CZ 3.76Å; F118-F120 HydrophobicContact CZ-CD1 4.31Å; F118-F120 AromaticContact CZ-CE1 3.84Å; F118-F120 HydrophobicContact CZ-CE1 3.84Å; F118-F120 HydrophobicContact CZ-CE2 4.24Å; F118-F120 AromaticContact CZ-CZ 3.8Å; F118-F120 HydrophobicContact CZ-CZ 3.8Å; F118-F124 HydrophobicContact CB-CE1 4.49Å; F118-F124 HydrophobicContact CD2-CE1 4.09Å; F118-F125 HydrophobicContact CE2-CD2 4.45Å; F118-F125 HydrophobicContact CE2-CE2 4.38Å; F118-F125 HydrophobicContact CZ-CE2 4.32Å; F118-F128 HydrophobicContact CD2-CD1 4.17Å; F118-F128 HydrophobicContact CD2-CD2 4.38Å; F118-F128 HydrophobicContact CD2-CE1 4Å; F118-F128 HydrophobicContact CD2-CE2 4.21Å; F118-F128 HydrophobicContact CD2-CG 4.35Å; F118-F128 HydrophobicContact CD2-CZ 4.02Å; F118-F128 AromaticContact CE2-CD1 3.83Å; F118-F128 HydrophobicContact CE2-CD1 3.83Å; F118-F128 AromaticContact CE2-CE1 3.7Å; F118-F128 HydrophobicContact CE2-CE1 3.7Å; F118-F128 HydrophobicContact CE2-CG 4.41Å; F118-F128 HydrophobicContact CE2-CZ 4.17Å; F118-N160 WeakPolarHBondContact CD1-O 3.43Å; F118-N160 PolarHBondContact O-ND2 3.09Å; F118-E163 HydrophobicContact CD1-CB 4.37Å; F118-E163 HydrophobicContact CE1-CB 4.08Å; F118-M164 HydrophobicContact CB-CB 3.84Å; F118-M164 HydrophobicContact CB-CG 4.15Å; F118-M164 HydrophobicContact CB-SD 3.86Å; F118-M164 HydrophobicContact CD1-CB 3.66Å; F118-M164 HydrophobicContact CD1-CG 4.44Å; F118-M164 HydrophobicContact CD2-CB 3.89Å; F118-M164 HydrophobicContact CD2-CG 3.75Å; F118-M164 HydrophobicContact CD2-SD 4.16Å; F118-M164 HydrophobicContact CE1-CB 4.16Å; F118-M164 HydrophobicContact CE2-CB 4.37Å; F118-M164 HydrophobicContact CE2-CG 4.25Å; F118-M164 HydrophobicContact CG-CB 3.51Å; F118-M164 HydrophobicContact CG-CG 3.86Å; F118-M164 HydrophobicContact CG-SD 4.19Å; F118-M164 HydrophobicContact CZ-CB 4.49Å; F118-Y167 HydrophobicContact CE2-CD1 4.14Å; F118-Y167 HydrophobicContact CE2-CG 4.44Å; F118-Y167 HydrophobicContact CZ-CD1 4.27Å; F118-Y167 HydrophobicContact CZ-CG 4.1Å
119T98.6Very high98.5Very high41 Ų4139.5 Ų39.525%0.25220%0.2SC..  trans-156154.2173.5179.30000109.1P117 E121 F124P117-T119 PolarHBondContact O-N 2.82Å; T119-E121 HydrophobicContact CG2-CB 4.06Å; T119-E121 WeakPolarHBondContact OG1-CB 3.22Å; T119-E121 WeakPolarHBondContact OG1-CG 3.45Å; T119-E121 PolarHBondContact OG1-N 3.16Å; T119-E121 VanDerWaalsContact OG1-N 3.11Å; T119-F124 HydrophobicContact CG2-CB 3.81Å; T119-F124 HydrophobicContact CG2-CD1 3.75Å; T119-F124 HydrophobicContact CG2-CG 3.89Å; T119-F124 WeakPolarHBondContact O-CD1 3.49Å
120F98.6Very high98.5Very high105 Ų10542.4 Ų42.446%0.46121%0.214SC..SBendtrans-82.2-0.3169.7-64.9-78.1000112.7F118 F125 E163 Y167F118-F120 HydrophobicContact CE1-CD2 4.25Å; F118-F120 HydrophobicContact CE1-CE1 4.23Å; F118-F120 AromaticContact CE1-CE2 3.78Å; F118-F120 HydrophobicContact CE1-CE2 3.78Å; F118-F120 AromaticContact CE1-CZ 3.76Å; F118-F120 HydrophobicContact CE1-CZ 3.76Å; F118-F120 HydrophobicContact CZ-CD1 4.31Å; F118-F120 AromaticContact CZ-CE1 3.84Å; F118-F120 HydrophobicContact CZ-CE1 3.84Å; F118-F120 HydrophobicContact CZ-CE2 4.24Å; F118-F120 AromaticContact CZ-CZ 3.8Å; F118-F120 HydrophobicContact CZ-CZ 3.8Å; F120-F125 AromaticContact CD1-CD2 3.88Å; F120-F125 HydrophobicContact CD1-CD2 3.88Å; F120-F125 HydrophobicContact CD1-CE1 4.48Å; F120-F125 AromaticContact CD1-CE2 3.5Å; F120-F125 HydrophobicContact CD1-CE2 3.5Å; F120-F125 VanDerWaalsContact CD1-CE2 3.5Å; F120-F125 AromaticContact CD1-CZ 3.84Å; F120-F125 HydrophobicContact CD1-CZ 3.84Å; F120-F125 AromaticContact CE1-CE2 3.82Å; F120-F125 HydrophobicContact CE1-CE2 3.82Å; F120-F125 HydrophobicContact CE1-CZ 4.16Å; F120-E163 HydrophobicContact CE2-CB 4.19Å; F120-Y167 HydrophobicContact CE1-CD2 4.07Å; F120-Y167 HydrophobicContact CE1-CG 4.44Å
121E98.6Very high98.6Very high146 Ų14642.4 Ų42.468%0.68221%0.214SC*.  trans-78.5141.1179.9-65.8176.2177.900112.4T119 F124 F125T119-E121 HydrophobicContact CG2-CB 4.06Å; T119-E121 WeakPolarHBondContact OG1-CB 3.22Å; T119-E121 WeakPolarHBondContact OG1-CG 3.45Å; T119-E121 PolarHBondContact OG1-N 3.16Å; T119-E121 VanDerWaalsContact OG1-N 3.11Å; E121-F124 WeakPolarHBondContact O-CB 3.44Å; E121-F124 PolarHBondContact O-N 2.98Å; E121-F124 VanDerWaalsContact O-N 3.11Å; E121-F125 PolarHBondContact O-N 3.04Å
122E97.9Very high98.6Very high113 Ų11342.7 Ų42.753%0.52822%0.215SC..THydrogen-bonded Turntrans-78.8148.3171.8-66-58.216600111.9S126E122-S126 PolarHBondContact OE1-N 3.38Å; E122-S126 WeakPolarHBondContact OE2-CB 3.38Å; E122-S126 PolarHBondContact OE2-N 2.94Å; E122-S126 VanDerWaalsContact OE2-N 3.08Å; E122-S126 PolarHBondContact OE2-OG 3.12Å
123P97.5Very high98.5Very high89 Ų8948.9 Ų48.958%0.57824%0.244SC*.THydrogen-bonded Turncis-89.39.66.137.4-37.5000114S126 K127P123-S126 PolarHBondContact O-OG 3.37Å; P123-K127 WeakPolarHBondContact O-CD 3.29Å; P123-K127 VanDerWaalsContact O-CG 3.29Å; P123-K127 WeakPolarHBondContact O-CG 3.4Å
124F98.5Very high98.5Very high31 Ų3151 Ų5114%0.13625%0.252CS..Hα-helixtrans-69.6-45.7-175.9175.7-84.8000111I92 P117 F118 T119 E121 K127 F128I92-F124 HydrophobicContact CD1-CD2 4.26Å; I92-F124 HydrophobicContact CD1-CE2 3.87Å; I92-F124 HydrophobicContact CD1-CZ 4.17Å; P117-F124 HydrophobicContact CB-CE2 4.13Å; P117-F124 HydrophobicContact CB-CZ 4.47Å; F118-F124 HydrophobicContact CB-CE1 4.49Å; F118-F124 HydrophobicContact CD2-CE1 4.09Å; T119-F124 HydrophobicContact CG2-CB 3.81Å; T119-F124 HydrophobicContact CG2-CD1 3.75Å; T119-F124 HydrophobicContact CG2-CG 3.89Å; T119-F124 WeakPolarHBondContact O-CD1 3.49Å; E121-F124 WeakPolarHBondContact O-CB 3.44Å; E121-F124 PolarHBondContact O-N 2.98Å; E121-F124 VanDerWaalsContact O-N 3.11Å; F124-K127 WeakPolarHBondContact O-CB 3.36Å; F124-K127 PolarHBondContact O-N 3.21Å; F124-F128 HydrophobicContact CD1-CB 4.23Å; F124-F128 HydrophobicContact CE1-CB 3.76Å; F124-F128 AromaticContact CE1-CD2 3.99Å; F124-F128 HydrophobicContact CE1-CD2 3.99Å; F124-F128 HydrophobicContact CE1-CG 4.03Å; F124-F128 HydrophobicContact CZ-CB 4.27Å; F124-F128 AromaticContact CZ-CD2 3.93Å; F124-F128 HydrophobicContact CZ-CD2 3.93Å; F124-F128 HydrophobicContact CZ-CG 4.4Å; F124-F128 WeakPolarHBondContact O-CB 3.49Å; F124-F128 PolarHBondContact O-N 3.41Å
125F98.8Very high98.6Very high29 Ų2950.8 Ų50.813%0.12725%0.25CS..Hα-helixtrans-62.8-50.8-171-171.7-113.5000112.3F118 F120 E121 K127 F128 E129 Y167F118-F125 HydrophobicContact CE2-CD2 4.45Å; F118-F125 HydrophobicContact CE2-CE2 4.38Å; F118-F125 HydrophobicContact CZ-CE2 4.32Å; F120-F125 AromaticContact CD1-CD2 3.88Å; F120-F125 HydrophobicContact CD1-CD2 3.88Å; F120-F125 HydrophobicContact CD1-CE1 4.48Å; F120-F125 AromaticContact CD1-CE2 3.5Å; F120-F125 HydrophobicContact CD1-CE2 3.5Å; F120-F125 VanDerWaalsContact CD1-CE2 3.5Å; F120-F125 AromaticContact CD1-CZ 3.84Å; F120-F125 HydrophobicContact CD1-CZ 3.84Å; F120-F125 AromaticContact CE1-CE2 3.82Å; F120-F125 HydrophobicContact CE1-CE2 3.82Å; F120-F125 HydrophobicContact CE1-CZ 4.16Å; E121-F125 PolarHBondContact O-N 3.04Å; F125-K127 VanDerWaalsContact C-N 3.26Å; F125-K127 PolarHBondContact O-N 3.39Å; F125-F128 CarbonylContact O-C 3.17Å; F125-F128 WeakPolarHBondContact O-CA 3.4Å; F125-F128 WeakPolarHBondContact O-CB 3.33Å; F125-F128 PolarHBondContact O-N 2.83Å; F125-E129 HydrophobicContact CD1-CG 4.31Å; F125-E129 HydrophobicContact CE1-CG 4.03Å; F125-E129 HydrophobicContact CE2-CG 4.43Å; F125-E129 HydrophobicContact CZ-CG 4.1Å; F125-E129 WeakPolarHBondContact O-CG 3.41Å; F125-E129 PolarHBondContact O-N 3.39Å; F125-Y167 HydrophobicContact CE2-CD2 4.12Å; F125-Y167 HydrophobicContact CE2-CE1 4.32Å; F125-Y167 AromaticContact CE2-CE2 3.77Å; F125-Y167 HydrophobicContact CE2-CE2 3.77Å; F125-Y167 AromaticContact CE2-CZ 3.88Å; F125-Y167 HydrophobicContact CZ-CD2 4.11Å; F125-Y167 AromaticContact CZ-CE2 3.47Å; F125-Y167 HydrophobicContact CZ-CE2 3.47Å; F125-Y167 VanDerWaalsContact CZ-CE2 3.47Å; F125-Y167 AromaticContact CZ-CZ 3.79Å
126S98.7Very high98.5Very high54 Ų5452.8 Ų52.838%0.37826%0.261SS..Hα-helixtrans-55.1-38.6174.955.20000113.6E122 P123 E129 E130E122-S126 PolarHBondContact OE1-N 3.38Å; E122-S126 WeakPolarHBondContact OE2-CB 3.38Å; E122-S126 PolarHBondContact OE2-N 2.94Å; E122-S126 VanDerWaalsContact OE2-N 3.08Å; E122-S126 PolarHBondContact OE2-OG 3.12Å; P123-S126 PolarHBondContact O-OG 3.37Å; S126-E129 PolarHBondContact O-N 2.68Å; S126-E130 PolarHBondContact O-N 3.31Å
127K98.8Very high98.5Very high57 Ų5751.5 Ų51.525%0.24826%0.256CS..Hα-helixtrans-68-38.6174.4-69.7178.7178.8-164.90112.3I92 D93 I96 P123 F124 F125 E129 E130 L131I92-K127 HydrophobicContact CD1-CB 3.93Å; I92-K127 HydrophobicContact CG1-CB 4.28Å; I92-K127 HydrophobicContact CG2-CB 4.16Å; I92-K127 HydrophobicContact CG2-CD 3.87Å; D93-K127 VanDerWaalsContact OD1-CD 3.28Å; D93-K127 WeakPolarHBondContact OD1-CD 3.26Å; D93-K127 WeakPolarHBondContact OD1-CE 3.31Å; D93-K127 IonicContact OD1-NZ 2.69Å; D93-K127 PolarHBondContact OD1-NZ 2.92Å; D93-K127 IonicContact OD2-NZ 2.93Å; D93-K127 PolarHBondContact OD2-NZ 3.23Å; I96-K127 HydrophobicContact CD1-CB 3.91Å; I96-K127 HydrophobicContact CD1-CG 4.31Å; I96-K127 WeakPolarHBondContact CD1-O 3.17Å; P123-K127 WeakPolarHBondContact O-CD 3.29Å; P123-K127 VanDerWaalsContact O-CG 3.29Å; P123-K127 WeakPolarHBondContact O-CG 3.4Å; F124-K127 WeakPolarHBondContact O-CB 3.36Å; F124-K127 PolarHBondContact O-N 3.21Å; F125-K127 VanDerWaalsContact C-N 3.26Å; F125-K127 PolarHBondContact O-N 3.39Å; K127-E129 VanDerWaalsContact C-N 3.35Å; K127-E130 PolarHBondContact O-N 2.89Å; K127-L131 WeakPolarHBondContact O-CB 3.38Å; K127-L131 PolarHBondContact O-N 3.29Å
128F98.9Very high98.6Very high0 Ų050.6 Ų50.60%025%0.25CC..Hα-helixtrans-63.5-42.9174.7-174.2-94.7000111.1L89 I92 F118 F124 F125 E130 L131 M132 M164 Y167 L168L89-F128 HydrophobicContact CD1-CE2 4.09Å; L89-F128 HydrophobicContact CD2-CD2 4.01Å; L89-F128 HydrophobicContact CD2-CE2 3.98Å; I92-F128 HydrophobicContact CD1-CB 4.03Å; I92-F128 HydrophobicContact CD1-CD2 4.43Å; F118-F128 HydrophobicContact CD2-CD1 4.17Å; F118-F128 HydrophobicContact CD2-CD2 4.38Å; F118-F128 HydrophobicContact CD2-CE1 4Å; F118-F128 HydrophobicContact CD2-CE2 4.21Å; F118-F128 HydrophobicContact CD2-CG 4.35Å; F118-F128 HydrophobicContact CD2-CZ 4.02Å; F118-F128 AromaticContact CE2-CD1 3.83Å; F118-F128 HydrophobicContact CE2-CD1 3.83Å; F118-F128 AromaticContact CE2-CE1 3.7Å; F118-F128 HydrophobicContact CE2-CE1 3.7Å; F118-F128 HydrophobicContact CE2-CG 4.41Å; F118-F128 HydrophobicContact CE2-CZ 4.17Å; F124-F128 HydrophobicContact CD1-CB 4.23Å; F124-F128 HydrophobicContact CE1-CB 3.76Å; F124-F128 AromaticContact CE1-CD2 3.99Å; F124-F128 HydrophobicContact CE1-CD2 3.99Å; F124-F128 HydrophobicContact CE1-CG 4.03Å; F124-F128 HydrophobicContact CZ-CB 4.27Å; F124-F128 AromaticContact CZ-CD2 3.93Å; F124-F128 HydrophobicContact CZ-CD2 3.93Å; F124-F128 HydrophobicContact CZ-CG 4.4Å; F124-F128 WeakPolarHBondContact O-CB 3.49Å; F124-F128 PolarHBondContact O-N 3.41Å; F125-F128 CarbonylContact O-C 3.17Å; F125-F128 WeakPolarHBondContact O-CA 3.4Å; F125-F128 WeakPolarHBondContact O-CB 3.33Å; F125-F128 PolarHBondContact O-N 2.83Å; F128-E130 PolarHBondContact O-N 3.33Å; F128-L131 PolarHBondContact O-N 3.13Å; F128-M132 HydrophobicContact CD1-CG 4.11Å; F128-M132 HydrophobicContact CD2-CE 4.37Å; F128-M132 HydrophobicContact CE1-CE 4.39Å; F128-M132 HydrophobicContact CE1-CG 3.8Å; F128-M132 HydrophobicContact CE1-SD 4.18Å; F128-M132 HydrophobicContact CE2-CE 3.88Å; F128-M132 HydrophobicContact CZ-CE 3.89Å; F128-M132 HydrophobicContact CZ-CG 4.21Å; F128-M132 HydrophobicContact CZ-SD 4.01Å; F128-M132 VanDerWaalsContact O-CG 3.29Å; F128-M132 WeakPolarHBondContact O-CG 3.07Å; F128-M132 PolarHBondContact O-N 2.99Å; F128-M164 HydrophobicContact CE2-CE 3.96Å; F128-M164 HydrophobicContact CE2-SD 4.24Å; F128-M164 HydrophobicContact CZ-CE 3.85Å; F128-M164 HydrophobicContact CZ-CG 4.14Å; F128-M164 HydrophobicContact CZ-SD 4.18Å; F128-Y167 HydrophobicContact CD1-CD1 4.37Å; F128-Y167 AromaticContact CD1-CE1 3.95Å; F128-Y167 HydrophobicContact CD1-CE1 3.95Å; F128-Y167 AromaticContact CE1-CD1 3.79Å; F128-Y167 HydrophobicContact CE1-CD1 3.79Å; F128-Y167 AromaticContact CE1-CE1 3.67Å; F128-Y167 HydrophobicContact CE1-CE1 3.67Å; F128-L168 HydrophobicContact CE1-CD2 4.25Å; F128-L168 HydrophobicContact CZ-CD2 4.09Å
129E98.8Very high98.5Very high82 Ų8250.4 Ų50.438%0.38325%0.249SC..Hα-helixtrans-60-44.5174-58-156.8108.400111.8F125 S126 K127 M132 Q133 Y167F125-E129 HydrophobicContact CD1-CG 4.31Å; F125-E129 HydrophobicContact CE1-CG 4.03Å; F125-E129 HydrophobicContact CE2-CG 4.43Å; F125-E129 HydrophobicContact CZ-CG 4.1Å; F125-E129 WeakPolarHBondContact O-CG 3.41Å; F125-E129 PolarHBondContact O-N 3.39Å; S126-E129 PolarHBondContact O-N 2.68Å; K127-E129 VanDerWaalsContact C-N 3.35Å; E129-M132 PolarHBondContact O-N 2.9Å; E129-Q133 PolarHBondContact O-N 3.07Å; E129-Y167 WeakPolarHBondContact CG-OH 3.45Å; E129-Y167 PolarHBondContact OE1-OH 3.4Å
130E98.8Very high98.6Very high62 Ų6248.4 Ų48.429%0.2924%0.237SC..Hα-helixtrans-60.5-47.7174.5-178.5174.7-17300111.6I96 K100 S126 K127 F128 M132 Q133 Y134I96-E130 HydrophobicContact CD1-CB 4.33Å; I96-E130 HydrophobicContact CD1-CG 4.45Å; I96-E130 HydrophobicContact CG2-CG 3.94Å; I96-E130 WeakPolarHBondContact CG2-OE1 3.32Å; K100-E130 IonicContact NZ-OE1 3.52Å; K100-E130 PolarHBondContact NZ-OE1 3.13Å; S126-E130 PolarHBondContact O-N 3.31Å; K127-E130 PolarHBondContact O-N 2.89Å; F128-E130 PolarHBondContact O-N 3.33Å; E130-M132 PolarHBondContact O-N 3.34Å; E130-Q133 WeakPolarHBondContact O-CB 3.41Å; E130-Q133 PolarHBondContact O-N 3.01Å; E130-Y134 HydrophobicContact CG-CD2 4.34Å; E130-Y134 HydrophobicContact CG-CE2 3.71Å; E130-Y134 WeakPolarHBondContact O-CD2 3.21Å
131L98.9Very high98.5Very high0 Ų044.5 Ų44.50%022%0.221CC..Hα-helixtrans-57-39177.8177.960.7000111.6L89 I92 L95 I96 F99 L111 K127 F128 Q133 Y134 T135L89-L131 HydrophobicContact CD2-CD2 3.8Å; I92-L131 HydrophobicContact CG1-CD2 4.11Å; L95-L131 HydrophobicContact CB-CD1 3.69Å; L95-L131 HydrophobicContact CB-CD2 4.04Å; L95-L131 HydrophobicContact CD1-CD2 3.74Å; I96-L131 HydrophobicContact CG1-CB 3.91Å; I96-L131 HydrophobicContact CG1-CD1 4.38Å; F99-L131 HydrophobicContact CB-CD1 4.37Å; F99-L131 HydrophobicContact CD2-CD1 3.68Å; F99-L131 HydrophobicContact CE2-CD1 4.29Å; F99-L131 HydrophobicContact CG-CD1 4.24Å; L111-L131 HydrophobicContact CD2-CD2 4.28Å; K127-L131 WeakPolarHBondContact O-CB 3.38Å; K127-L131 PolarHBondContact O-N 3.29Å; F128-L131 PolarHBondContact O-N 3.13Å; L131-Q133 PolarHBondContact O-N 3Å; L131-Y134 CarbonylContact O-C 3.59Å; L131-Y134 PolarHBondContact O-N 2.9Å; L131-T135 PolarHBondContact O-N 3.48Å; L131-T135 VanDerWaalsContact O-N 3.14Å; L131-T135 PolarHBondContact O-OG1 3.42Å
132M98.8Very high98.6Very high6 Ų637.6 Ų37.63%0.0319%0.189CC..Hα-helixtrans-64-26.3178.3-70.7-51.599.800112.8L111 F128 E129 E130 Y134 T135 I138 L168 I171 K173L111-M132 HydrophobicContact CD2-CE 4.2Å; F128-M132 HydrophobicContact CD1-CG 4.11Å; F128-M132 HydrophobicContact CD2-CE 4.37Å; F128-M132 HydrophobicContact CE1-CE 4.39Å; F128-M132 HydrophobicContact CE1-CG 3.8Å; F128-M132 HydrophobicContact CE1-SD 4.18Å; F128-M132 HydrophobicContact CE2-CE 3.88Å; F128-M132 HydrophobicContact CZ-CE 3.89Å; F128-M132 HydrophobicContact CZ-CG 4.21Å; F128-M132 HydrophobicContact CZ-SD 4.01Å; F128-M132 VanDerWaalsContact O-CG 3.29Å; F128-M132 WeakPolarHBondContact O-CG 3.07Å; F128-M132 PolarHBondContact O-N 2.99Å; E129-M132 PolarHBondContact O-N 2.9Å; E130-M132 PolarHBondContact O-N 3.34Å; M132-Y134 PolarHBondContact O-N 3.07Å; M132-T135 PolarHBondContact O-N 3.11Å; M132-I138 HydrophobicContact CE-CD1 4.15Å; M132-I138 HydrophobicContact SD-CD1 3.64Å; M132-L168 HydrophobicContact CG-CD2 4.49Å; M132-L168 HydrophobicContact SD-CD2 3.7Å; M132-I171 HydrophobicContact CB-CD1 4.19Å; M132-I171 HydrophobicContact CG-CD1 4.08Å; M132-K173 WeakPolarHBondContact O-CE 3.27Å; M132-K173 PolarHBondContact O-NZ 3.2Å; M132-K173 HydrophobicContact SD-CD 4.31Å; M132-K173 HydrophobicContact SD-CG 4.01Å
133Q98.6Very high98.6Very high142 Ų14233 Ų3366%0.66417%0.167SC*.Hα-helixtrans-66.8-26.8174.1-60.6-179-700112.4E129 E130 L131E129-Q133 PolarHBondContact O-N 3.07Å; E130-Q133 WeakPolarHBondContact O-CB 3.41Å; E130-Q133 PolarHBondContact O-N 3.01Å; L131-Q133 PolarHBondContact O-N 3Å
134Y98.8Very high98.6Very high48 Ų4828.9 Ų28.919%0.18814%0.14CC..THydrogen-bonded Turntrans-107.16.4-177.9-51-61.4000113.9K100 K103 T109 E130 L131 M132K100-Y134 HydrophobicContact CB-CD1 4.25Å; K100-Y134 HydrophobicContact CB-CD2 3.91Å; K100-Y134 HydrophobicContact CB-CE1 4.28Å; K100-Y134 HydrophobicContact CB-CE2 3.9Å; K100-Y134 HydrophobicContact CB-CG 4.08Å; K100-Y134 HydrophobicContact CD-CE2 3.83Å; K100-Y134 WeakPolarHBondContact CE-OH 3.44Å; K100-Y134 HydrophobicContact CG-CD1 4.34Å; K100-Y134 HydrophobicContact CG-CD2 4.36Å; K100-Y134 HydrophobicContact CG-CE1 3.89Å; K100-Y134 HydrophobicContact CG-CE2 3.88Å; K100-Y134 PolarHBondContact NZ-OH 2.97Å; K103-Y134 HydrophobicContact CB-CD1 4.44Å; K103-Y134 HydrophobicContact CG-CD1 4.27Å; T109-Y134 PolarHBondContact OG1-O 3.39Å; E130-Y134 HydrophobicContact CG-CD2 4.34Å; E130-Y134 HydrophobicContact CG-CE2 3.71Å; E130-Y134 WeakPolarHBondContact O-CD2 3.21Å; L131-Y134 CarbonylContact O-C 3.59Å; L131-Y134 PolarHBondContact O-N 2.9Å; M132-Y134 PolarHBondContact O-N 3.07Å
135T98.7Very high98.6Very high2 Ų228.3 Ų28.31%0.01214%0.138CC..  trans-106.2120.6179.6-57.30000110.5F99 L111 L131 M132 L137 I138 K173F99-T135 WeakPolarHBondContact CD2-OG1 3.41Å; F99-T135 HydrophobicContact CE2-CG2 4.13Å; F99-T135 WeakPolarHBondContact CE2-OG1 3.3Å; L111-T135 HydrophobicContact CB-CG2 3.96Å; L131-T135 PolarHBondContact O-N 3.48Å; L131-T135 VanDerWaalsContact O-N 3.14Å; L131-T135 PolarHBondContact O-OG1 3.42Å; M132-T135 PolarHBondContact O-N 3.11Å; T135-L137 WeakPolarHBondContact CG2-O 3.45Å; T135-I138 HydrophobicContact CG2-CG1 3.85Å; T135-K173 PolarHBondContact O-NZ 3.44Å
136D97.8Very high98.6Very high41 Ų4128.4 Ų28.422%0.21914%0.14CC..SBendtrans-83.6-37.2179.5-59.9-56.5000112.4K103 N108 T109 P174K103-D136 IonicContact NZ-OD1 2.86Å; K103-D136 PolarHBondContact NZ-OD1 3.36Å; K103-D136 IonicContact NZ-OD2 3.18Å; K103-D136 PolarHBondContact NZ-OD2 3.21Å; N108-D136 WeakPolarHBondContact CA-OD2 3.44Å; N108-D136 WeakPolarHBondContact ND2-CB 3.31Å; N108-D136 PolarHBondContact ND2-OD2 3.06Å; T109-D136 PolarHBondContact N-OD2 2.77Å; T109-D136 WeakPolarHBondContact O-CB 3.42Å; T109-D136 PolarHBondContact O-N 2.88Å; T109-D136 VanDerWaalsContact O-N 3.09Å; T109-D136 PolarHBondContact OG1-N 2.96Å; T109-D136 VanDerWaalsContact OG1-N 3.13Å; T109-D136 PolarHBondContact OG1-OD2 2.82Å; D136-P174 WeakPolarHBondContact O-CG 3.47Å
137L98.2Very high98.6Very high10 Ų1027.5 Ų27.55%0.05213%0.131CC..EExtended strand (participates in β ladder)trans-143.5145.1-178.5174.765.5000110.9P25 T109 T110 L111 T135 L139 P174 W176P25-L137 VanDerWaalsContact CD-CD2 3.48Å; P25-L137 HydrophobicContact CG-CD2 4.15Å; T109-L137 PolarHBondContact O-N 2.93Å; T110-L137 VanDerWaalsContact CA-O 3.31Å; T110-L137 WeakPolarHBondContact CA-O 3.15Å; T110-L137 HydrophobicContact CG2-CB 4.45Å; T110-L137 HydrophobicContact CG2-CD2 4.24Å; T110-L137 HydrophobicContact CG2-CG 4.3Å; L111-L137 PolarHBondContact N-O 3.25Å; T135-L137 WeakPolarHBondContact CG2-O 3.45Å; L137-L139 HydrophobicContact CD2-CD2 3.9Å; L137-L139 HydrophobicContact CG-CD2 4.3Å; L137-P174 HydrophobicContact CD1-CB 4.22Å; L137-W176 HydrophobicContact CD1-CD2 4.36Å; L137-W176 HydrophobicContact CD1-CG 3.94Å; L137-W176 HydrophobicContact CD2-CD2 3.93Å; L137-W176 HydrophobicContact CD2-CE3 4.36Å; L137-W176 HydrophobicContact CD2-CG 4.33Å; L137-W176 HydrophobicContact CD2-CH2 4.4Å; L137-W176 HydrophobicContact CD2-CZ2 3.98Å
138I98.7Very high98.6Very high0 Ų029.5 Ų29.50%014%0.141CC..EExtended strand (participates in β ladder)trans-114.2124.2166.4-53.4172.8000109.3L111 M132 T135 F140 L168 K173 P174 V175 W176L111-I138 HydrophobicContact CB-CG1 4.39Å; L111-I138 CarbonylContact O-C 3.55Å; L111-I138 VanDerWaalsContact O-CA 3.27Å; L111-I138 WeakPolarHBondContact O-CA 3.44Å; M132-I138 HydrophobicContact CE-CD1 4.15Å; M132-I138 HydrophobicContact SD-CD1 3.64Å; T135-I138 HydrophobicContact CG2-CG1 3.85Å; I138-F140 HydrophobicContact CG2-CB 4Å; I138-L168 HydrophobicContact CD1-CD1 3.58Å; I138-L168 HydrophobicContact CD1-CD2 3.43Å; I138-L168 VanDerWaalsContact CD1-CD2 3.43Å; I138-L168 HydrophobicContact CD1-CG 4.15Å; I138-K173 HydrophobicContact CD1-CG 3.78Å; I138-K173 HydrophobicContact CG1-CG 4.28Å; I138-P174 PolarHBondContact N-O 2.96Å; I138-V175 HydrophobicContact CB-CG2 4.25Å; I138-V175 CarbonylContact O-C 3.59Å; I138-V175 WeakPolarHBondContact O-CA 3.15Å; I138-W176 PolarHBondContact O-N 2.8Å
139L98.7Very high98.6Very high0 Ų033 Ų330%016%0.156CC..EExtended strand (participates in β ladder)trans-83.7113.9159.4-56.1-172.2000106.9D23 T110 L111 D112 S113 L137 W176D23-L139 VanDerWaalsContact C-CD1 3.44Å; D23-L139 WeakPolarHBondContact O-CD1 3.45Å; T110-L139 HydrophobicContact CG2-CD1 4.06Å; T110-L139 HydrophobicContact CG2-CD2 4.29Å; T110-L139 HydrophobicContact CG2-CG 3.64Å; L111-L139 PolarHBondContact O-N 3.1Å; D112-L139 WeakPolarHBondContact CA-O 3.34Å; D112-L139 HydrophobicContact CB-CB 4.08Å; D112-L139 HydrophobicContact CB-CD1 4.31Å; D112-L139 WeakPolarHBondContact OD1-CB 3.35Å; S113-L139 PolarHBondContact N-O 3.32Å; L137-L139 HydrophobicContact CD2-CD2 3.9Å; L137-L139 HydrophobicContact CG-CD2 4.3Å; L139-W176 HydrophobicContact CD2-CB 3.76Å; L139-W176 HydrophobicContact CD2-CD2 3.84Å; L139-W176 HydrophobicContact CD2-CE3 3.49Å; L139-W176 VanDerWaalsContact CD2-CE3 3.49Å; L139-W176 HydrophobicContact CD2-CG 4.01Å; L139-W176 HydrophobicContact CD2-CZ3 4.3Å
140F98.8Very high98.6Very high0 Ų029.2 Ų29.20%014%0.139CC..EExtended strand (participates in β ladder)trans-121.4115-167.4-170.3-132.6000111.6S113 I138 I142 I161 M164 A165 V175 W176 I177 R178S113-F140 WeakPolarHBondContact O-CD2 3.13Å; I138-F140 HydrophobicContact CG2-CB 4Å; F140-I142 HydrophobicContact CD1-CG1 4.29Å; F140-I142 HydrophobicContact CE1-CD1 4.43Å; F140-I142 HydrophobicContact CE1-CG1 4.15Å; F140-I161 HydrophobicContact CE1-CG2 4.31Å; F140-I161 HydrophobicContact CE2-CG2 4.01Å; F140-I161 HydrophobicContact CZ-CG2 3.48Å; F140-I161 VanDerWaalsContact CZ-CG2 3.48Å; F140-I161 WeakPolarHBondContact CZ-O 3.23Å; F140-M164 HydrophobicContact CD2-CE 4.16Å; F140-M164 HydrophobicContact CE2-CE 3.96Å; F140-M164 HydrophobicContact CE2-CG 4.47Å; F140-M164 HydrophobicContact CE2-SD 3.96Å; F140-M164 HydrophobicContact CZ-CB 4.24Å; F140-M164 HydrophobicContact CZ-CG 4.35Å; F140-M164 HydrophobicContact CZ-SD 4.37Å; F140-A165 HydrophobicContact CD1-CB 4.34Å; F140-A165 HydrophobicContact CE1-CB 3.56Å; F140-A165 HydrophobicContact CZ-CB 4.42Å; F140-V175 HydrophobicContact CB-CG1 3.61Å; F140-V175 HydrophobicContact CD1-CG1 4.4Å; F140-V175 HydrophobicContact CG-CG1 4.46Å; F140-W176 PolarHBondContact N-O 3.3Å; F140-I177 HydrophobicContact CB-CD1 4.31Å; F140-I177 HydrophobicContact CD1-CD1 3.76Å; F140-I177 CarbonylContact O-C 3.14Å; F140-I177 WeakPolarHBondContact O-CA 3.44Å; F140-R178 PolarHBondContact O-N 3.38Å
141D98.5Very high98.6Very high22 Ų2230.4 Ų30.412%0.11814%0.143CC..EExtended strand (participates in β ladder)trans-78.1121.7178.7-79.1-80.5000112.1S113 C114 K143 R178S113-D141 PolarHBondContact O-N 3.33Å; S113-D141 VanDerWaalsContact O-N 3.13Å; C114-D141 HydrophobicContact CB-CB 4.27Å; D141-K143 HydrophobicContact CB-CG 4.05Å; D141-K143 VanDerWaalsContact CB-NZ 3.33Å; D141-K143 IonicContact OD1-NZ 2.99Å; D141-K143 PolarHBondContact OD1-NZ 2.99Å; D141-K143 IonicContact OD2-NZ 2.68Å; D141-K143 PolarHBondContact OD2-NZ 2.96Å; D141-R178 WeakPolarHBondContact CA-O 3.49Å
142I98.6Very high98.5Very high2 Ų234.8 Ų34.81%0.0116%0.163CC..  trans-111.494.7160.4-57-179.2000108.1F140 L162 I177 R178 H179 L195 F198F140-I142 HydrophobicContact CD1-CG1 4.29Å; F140-I142 HydrophobicContact CE1-CD1 4.43Å; F140-I142 HydrophobicContact CE1-CG1 4.15Å; I142-L162 HydrophobicContact CG2-CD2 4.39Å; I142-I177 HydrophobicContact CB-CG2 4.44Å; I142-I177 HydrophobicContact CD1-CD1 3.88Å; I142-I177 HydrophobicContact CD1-CG2 4.19Å; I142-I177 HydrophobicContact CG1-CD1 4.32Å; I142-I177 HydrophobicContact CG1-CG2 4.27Å; I142-R178 PolarHBondContact N-O 3.18Å; I142-H179 PolarHBondContact O-ND1 2.64Å; I142-L195 HydrophobicContact CB-CD1 4.05Å; I142-L195 HydrophobicContact CD1-CD1 4.2Å; I142-L195 HydrophobicContact CG2-CD1 3.53Å; I142-F198 HydrophobicContact CD1-CD1 3.92Å; I142-F198 HydrophobicContact CD1-CE1 3.63Å
143K98.6Very high98.5Very high17 Ų1734.6 Ų34.67%0.07416%0.162CC..  trans-76.7-30.8-169.7-56.5-178.1-171.2-62.80112.9M38 F42 D141 T154M38-K143 HydrophobicContact SD-CD 4.28Å; F42-K143 HydrophobicContact CZ-CB 4.31Å; F42-K143 HydrophobicContact CZ-CD 3.92Å; F42-K143 HydrophobicContact CZ-CG 4.16Å; D141-K143 HydrophobicContact CB-CG 4.05Å; D141-K143 VanDerWaalsContact CB-NZ 3.33Å; D141-K143 IonicContact OD1-NZ 2.99Å; D141-K143 PolarHBondContact OD1-NZ 2.99Å; D141-K143 IonicContact OD2-NZ 2.68Å; D141-K143 PolarHBondContact OD2-NZ 2.96Å; K143-T154 HydrophobicContact CB-CG2 4.18Å; K143-T154 HydrophobicContact CD-CG2 4.04Å
144Q98.6Very high98.5Very high2 Ų227.9 Ų27.91%0.00913%0.131CC..  trans-159.7134.1175-124.7-59.9-300108.2K149 H150 L153 N158Q144-K149 HydrophobicContact CG-CB 3.84Å; Q144-H150 HydrophobicContact CB-CB 3.79Å; Q144-H150 PolarHBondContact O-CD2 3.32Å; Q144-L153 HydrophobicContact CB-CD2 4.37Å; Q144-L153 HydrophobicContact CG-CD2 4.13Å; Q144-N158 PolarHBondContact O-ND2 2.95Å
145I98.7Very high98.4Very high19 Ų1928 Ų2810%0.09715%0.146CC..SBendtrans-78.1-31.9174.7-166.661.3000112.9N158 L162 F191 R194 L195 F198I145-N158 VanDerWaalsContact C-ND2 3.28Å; I145-N158 PolarHBondContact O-ND2 2.9Å; I145-L162 HydrophobicContact CD1-CD1 4.11Å; I145-L162 HydrophobicContact CD1-CD2 3.94Å; I145-F191 HydrophobicContact CG2-CB 4.09Å; I145-F191 HydrophobicContact CG2-CD1 4.4Å; I145-F191 VanDerWaalsContact CG2-O 3.29Å; I145-F191 WeakPolarHBondContact CG2-O 3.4Å; I145-R194 HydrophobicContact CG1-CB 4.35Å; I145-R194 HydrophobicContact CG2-CB 3.73Å; I145-L195 HydrophobicContact CB-CB 4.18Å; I145-L195 HydrophobicContact CB-CD1 4.47Å; I145-L195 HydrophobicContact CD1-CD1 4.35Å; I145-L195 HydrophobicContact CG2-CB 4.37Å; I145-F198 HydrophobicContact CD1-CB 3.7Å; I145-F198 HydrophobicContact CD1-CD1 4.1Å; I145-F198 HydrophobicContact CD1-CD2 4.32Å; I145-F198 HydrophobicContact CD1-CG 3.77Å
146D98.6Very high98.4Very high31 Ų3130.7 Ų30.717%0.16616%0.159CC..SBendtrans-80.5125.8177.3-174.1-87.2000111Q148 K149 H150 F191 R194D146-Q148 VanDerWaalsContact C-N 3.35Å; D146-Q148 PolarHBondContact O-N 2.66Å; D146-Q148 PolarHBondContact OD1-N 2.77Å; D146-K149 HydrophobicContact CB-CB 4.06Å; D146-K149 HydrophobicContact CB-CG 4.12Å; D146-K149 PolarHBondContact O-N 2.91Å; D146-K149 PolarHBondContact OD1-N 3.44Å; D146-H150 VanDerWaalsContact O-CB 3.25Å; D146-H150 WeakPolarHBondContact O-CB 3.28Å; D146-H150 PolarHBondContact O-N 2.97Å; D146-F191 HydrophobicContact CB-CD1 3.74Å; D146-F191 HydrophobicContact CB-CE1 3.54Å; D146-F191 HydrophobicContact CB-CZ 4.35Å; D146-R194 IonicContact OD2-CZ 3.74Å; D146-R194 IonicContact OD2-NH1 3.41Å; D146-R194 PolarHBondContact OD2-NH1 2.85Å; D146-R194 VanDerWaalsContact OD2-NH1 3.12Å; D146-R194 IonicContact OD2-NH2 3.1Å; D146-R194 PolarHBondContact OD2-NH2 2.89Å
147N98.4Very high98.4Very high35 Ų3531.1 Ų31.119%0.18716%0.161CC..Hα-helixtrans-62.4-40.9-173.2-167.4-85.9000112.8H150 K151 N157 N158 D159N147-H150 PolarHBondContact O-N 3.12Å; N147-K151 WeakPolarHBondContact O-CG 3.13Å; N147-K151 PolarHBondContact O-N 3.3Å; N147-K151 WeakPolarHBondContact OD1-CE 3.45Å; N147-K151 PolarHBondContact OD1-NZ 2.72Å; N147-K151 VanDerWaalsContact OD1-NZ 3.15Å; N147-N157 WeakPolarHBondContact ND2-CB 3.35Å; N147-N158 WeakPolarHBondContact CA-OD1 3.32Å; N147-N158 PolarHBondContact ND2-N 2.77Å; N147-N158 PolarHBondContact ND2-OD1 3.29Å; N147-D159 PolarHBondContact ND2-OD1 2.82Å; N147-D159 PolarHBondContact ND2-OD2 3.04Å
148Q98.3Very high98.5Very high99 Ų9930.8 Ų30.846%0.46316%0.159SC..Hα-helixtrans-73-42.7-178.4-177.655.33500110.5D146 H150 K151 E152D146-Q148 VanDerWaalsContact C-N 3.35Å; D146-Q148 PolarHBondContact O-N 2.66Å; D146-Q148 PolarHBondContact OD1-N 2.77Å; Q148-H150 VanDerWaalsContact C-N 3.28Å; Q148-H150 PolarHBondContact O-N 2.93Å; Q148-K151 WeakPolarHBondContact O-CB 3.46Å; Q148-K151 PolarHBondContact O-N 2.88Å; Q148-E152 PolarHBondContact NE2-OE1 3.38Å; Q148-E152 WeakPolarHBondContact O-CG 3.31Å; Q148-E152 PolarHBondContact O-N 3.25Å
149K98.4Very high98.5Very high73 Ų7334.4 Ų34.432%0.31718%0.179SC..Hα-helixtrans-64.9-33173-61.5-53.7-178.1-175.50112.9Q144 D146 E152 L153 F191Q144-K149 HydrophobicContact CG-CB 3.84Å; D146-K149 HydrophobicContact CB-CB 4.06Å; D146-K149 HydrophobicContact CB-CG 4.12Å; D146-K149 PolarHBondContact O-N 2.91Å; D146-K149 PolarHBondContact OD1-N 3.44Å; K149-E152 WeakPolarHBondContact CD-OE2 3.5Å; K149-E152 IonicContact NZ-OE1 2.85Å; K149-E152 IonicContact NZ-OE2 2.78Å; K149-E152 PolarHBondContact NZ-OE2 2.98Å; K149-E152 PolarHBondContact O-N 3.27Å; K149-L153 WeakPolarHBondContact O-CB 3.23Å; K149-L153 PolarHBondContact O-N 2.72Å; K149-F191 HydrophobicContact CG-CE1 4.27Å; K149-F191 HydrophobicContact CG-CE2 3.88Å; K149-F191 HydrophobicContact CG-CZ 3.61Å
150H98.7Very high98.5Very high3 Ų335.2 Ų35.21%0.01418%0.183CC..Hα-helixtrans-64.1-40.9173-166.7-90.4000111.8M38 Q144 D146 N147 Q148 L153 T154 H156 N157 N158M38-H150 WeakPolarHBondContact CE-CE1 3.36Å; Q144-H150 HydrophobicContact CB-CB 3.79Å; Q144-H150 PolarHBondContact O-CD2 3.32Å; D146-H150 VanDerWaalsContact O-CB 3.25Å; D146-H150 WeakPolarHBondContact O-CB 3.28Å; D146-H150 PolarHBondContact O-N 2.97Å; N147-H150 PolarHBondContact O-N 3.12Å; Q148-H150 VanDerWaalsContact C-N 3.28Å; Q148-H150 PolarHBondContact O-N 2.93Å; H150-L153 PolarHBondContact O-N 2.64Å; H150-T154 PolarHBondContact CE1-OG1 2.93Å; H150-T154 VanDerWaalsContact CE1-OG1 3.25Å; H150-T154 PolarHBondContact ND1-OG1 2.93Å; H150-T154 VanDerWaalsContact ND1-OG1 3.14Å; H150-T154 WeakPolarHBondContact O-CB 3.49Å; H150-T154 PolarHBondContact O-N 3.24Å; H150-T154 PolarHBondContact O-OG1 3.15Å; H150-H156 CarbonylContact C-O 3.56Å; H150-H156 PolarHBondContact ND1-O 2.85Å; H150-N157 PolarHBondContact CE1-O 3.05Å; H150-N157 PolarHBondContact ND1-O 2.72Å; H150-N158 HydrophobicContact CB-CB 4.13Å
151K98.4Very high98.5Very high86 Ų8635.4 Ų35.437%0.37418%0.184SC..Hα-helixtrans-61-46.4173.8-72.7170-173.8164.70111.6N147 Q148 L153 G155 H156 N157N147-K151 WeakPolarHBondContact O-CG 3.13Å; N147-K151 PolarHBondContact O-N 3.3Å; N147-K151 WeakPolarHBondContact OD1-CE 3.45Å; N147-K151 PolarHBondContact OD1-NZ 2.72Å; N147-K151 VanDerWaalsContact OD1-NZ 3.15Å; Q148-K151 WeakPolarHBondContact O-CB 3.46Å; Q148-K151 PolarHBondContact O-N 2.88Å; K151-L153 VanDerWaalsContact C-N 3.32Å; K151-L153 PolarHBondContact O-N 3.14Å; K151-G155 WeakPolarHBondContact O-CA 3.44Å; K151-G155 PolarHBondContact O-N 2.79Å; K151-H156 WeakPolarHBondContact CA-O 3.39Å; K151-H156 VanDerWaalsContact CG-C 3.47Å; K151-H156 WeakPolarHBondContact CG-O 3.49Å; K151-H156 PolarHBondContact N-O 2.91Å; K151-N157 HydrophobicContact CG-CB 4.35Å
152E98.1Very high98.5Very high92 Ų9235.6 Ų35.643%0.4319%0.185SC..Hα-helixtrans-59.9-43.4176.9-69.8166.9-160.300111.5Q41 Q148 K149Q41-E152 PolarHBondContact NE2-O 3.39Å; Q148-E152 PolarHBondContact NE2-OE1 3.38Å; Q148-E152 WeakPolarHBondContact O-CG 3.31Å; Q148-E152 PolarHBondContact O-N 3.25Å; K149-E152 WeakPolarHBondContact CD-OE2 3.5Å; K149-E152 IonicContact NZ-OE1 2.85Å; K149-E152 IonicContact NZ-OE2 2.78Å; K149-E152 PolarHBondContact NZ-OE2 2.98Å; K149-E152 PolarHBondContact O-N 3.27Å
153L98.3Very high98.5Very high3 Ų339.6 Ų39.62%0.01620%0.204CC..Hα-helixtrans-78.4-31.8-174.6-176.156.9000114.1C40 Q41 F42 Q144 K149 H150 K151 R185C40-L153 WeakPolarHBondContact CA-O 3.39Å; Q41-L153 HydrophobicContact CB-CD1 4.26Å; Q41-L153 WeakPolarHBondContact CG-O 3.37Å; Q41-L153 PolarHBondContact N-O 3.31Å; F42-L153 HydrophobicContact CD1-CD1 3.84Å; F42-L153 HydrophobicContact CD1-CG 4.35Å; F42-L153 HydrophobicContact CE1-CD1 3.81Å; F42-L153 HydrophobicContact CE1-CD2 3.94Å; F42-L153 HydrophobicContact CE1-CG 3.81Å; Q144-L153 HydrophobicContact CB-CD2 4.37Å; Q144-L153 HydrophobicContact CG-CD2 4.13Å; K149-L153 WeakPolarHBondContact O-CB 3.23Å; K149-L153 PolarHBondContact O-N 2.72Å; H150-L153 PolarHBondContact O-N 2.64Å; K151-L153 VanDerWaalsContact C-N 3.32Å; K151-L153 PolarHBondContact O-N 3.14Å; L153-R185 HydrophobicContact CD1-CB 3.97Å; L153-R185 HydrophobicContact CD1-CG 4.23Å
154T98.3Very high98.5Very high0 Ų038.8 Ų38.80%020%0.2CC..Hα-helixtrans-127.9-8.3-167.274.90000114.9M38 R39 K143 H150 H156M38-T154 VanDerWaalsContact CE-CB 3.41Å; M38-T154 HydrophobicContact CE-CG2 3.91Å; M38-T154 VanDerWaalsContact CE-OG1 3.23Å; M38-T154 WeakPolarHBondContact CE-OG1 3.36Å; R39-T154 CarbonylContact C-O 3.46Å; R39-T154 PolarHBondContact N-O 3.31Å; K143-T154 HydrophobicContact CB-CG2 4.18Å; K143-T154 HydrophobicContact CD-CG2 4.04Å; H150-T154 PolarHBondContact CE1-OG1 2.93Å; H150-T154 VanDerWaalsContact CE1-OG1 3.25Å; H150-T154 PolarHBondContact ND1-OG1 2.93Å; H150-T154 VanDerWaalsContact ND1-OG1 3.14Å; H150-T154 WeakPolarHBondContact O-CB 3.49Å; H150-T154 PolarHBondContact O-N 3.24Å; H150-T154 PolarHBondContact O-OG1 3.15Å; T154-H156 VanDerWaalsContact C-N 3.28Å; T154-H156 PolarHBondContact OG1-N 3.45Å; T154-H156 PolarHBondContact OG1-O 3.13Å
155G98Very high98.5Very high50 Ų5038.8 Ų38.852%0.51520%0.201SC..SBendtrans80.10.3-172.600000114.7K151K151-G155 WeakPolarHBondContact O-CA 3.44Å; K151-G155 PolarHBondContact O-N 2.79Å
156H98.3Very high98.5Very high59 Ų5943.2 Ų43.227%0.27322%0.219SC..SBendtrans-138.5159.6-176.3-69-82.8000113.2R37 M38 K116 H150 K151 T154R37-H156 PolarHBondContact O-NE2 2.84Å; M38-H156 HydrophobicContact CE-CB 4.26Å; K116-H156 HydrophobicContact CD-CB 3.81Å; H150-H156 CarbonylContact C-O 3.56Å; H150-H156 PolarHBondContact ND1-O 2.85Å; K151-H156 WeakPolarHBondContact CA-O 3.39Å; K151-H156 VanDerWaalsContact CG-C 3.47Å; K151-H156 WeakPolarHBondContact CG-O 3.49Å; K151-H156 PolarHBondContact N-O 2.91Å; T154-H156 VanDerWaalsContact C-N 3.28Å; T154-H156 PolarHBondContact OG1-N 3.45Å; T154-H156 PolarHBondContact OG1-O 3.13Å
157N98.3Very high98.5Very high50 Ų5042.9 Ų42.927%0.26722%0.216SC..  trans-69.6170.4165.665.6-5.5000111.6N147 H150 K151 D159N147-N157 WeakPolarHBondContact ND2-CB 3.35Å; H150-N157 PolarHBondContact CE1-O 3.05Å; H150-N157 PolarHBondContact ND1-O 2.72Å; K151-N157 HydrophobicContact CG-CB 4.35Å; N157-D159 WeakPolarHBondContact CB-OD2 3.46Å; N157-D159 PolarHBondContact ND2-OD2 3.12Å
158N98.6Very high98.5Very high3 Ų341.2 Ų41.22%0.01621%0.207CC..  trans-114.53.3177.663.5-2000113.7Q144 I145 N147 H150 N160 I161 L162Q144-N158 PolarHBondContact O-ND2 2.95Å; I145-N158 VanDerWaalsContact C-ND2 3.28Å; I145-N158 PolarHBondContact O-ND2 2.9Å; N147-N158 WeakPolarHBondContact CA-OD1 3.32Å; N147-N158 PolarHBondContact ND2-N 2.77Å; N147-N158 PolarHBondContact ND2-OD1 3.29Å; H150-N158 HydrophobicContact CB-CB 4.13Å; N158-N160 VanDerWaalsContact C-N 3.34Å; N158-N160 PolarHBondContact O-N 3.34Å; N158-I161 HydrophobicContact CB-CB 4.49Å; N158-I161 HydrophobicContact CB-CD1 4.45Å; N158-I161 WeakPolarHBondContact O-CA 3.27Å; N158-I161 WeakPolarHBondContact O-CB 3.48Å; N158-I161 PolarHBondContact O-N 2.66Å; N158-L162 HydrophobicContact CB-CG 4.47Å; N158-L162 WeakPolarHBondContact O-CG 3.45Å; N158-L162 PolarHBondContact O-N 2.95Å
159D98.6Very high98.6Very high76 Ų7636.9 Ų36.941%0.40619%0.187SC..Hα-helixtrans-51.6-53.3-173.6-56.9-55.9000111.6N147 N157 I161 L162 E163N147-D159 PolarHBondContact ND2-OD1 2.82Å; N147-D159 PolarHBondContact ND2-OD2 3.04Å; N157-D159 WeakPolarHBondContact CB-OD2 3.46Å; N157-D159 PolarHBondContact ND2-OD2 3.12Å; D159-I161 VanDerWaalsContact C-N 3.28Å; D159-I161 PolarHBondContact O-N 2.71Å; D159-L162 PolarHBondContact O-N 2.98Å; D159-E163 WeakPolarHBondContact O-CG 3.36Å; D159-E163 PolarHBondContact O-N 2.69Å
160N98.5Very high98.6Very high18 Ų1839.6 Ų39.610%0.09621%0.206CC..Hα-helixtrans-70-24.1-17982.1-77.4000113.3G115 K116 F118 N158 M164G115-N160 PolarHBondContact O-ND2 2.84Å; K116-N160 VanDerWaalsContact C-ND2 3.34Å; K116-N160 PolarHBondContact NZ-OD1 2.92Å; K116-N160 PolarHBondContact O-ND2 3.13Å; F118-N160 WeakPolarHBondContact CD1-O 3.43Å; F118-N160 PolarHBondContact O-ND2 3.09Å; N158-N160 VanDerWaalsContact C-N 3.34Å; N158-N160 PolarHBondContact O-N 3.34Å; N160-M164 PolarHBondContact O-N 3.02Å
161I98.8Very high98.6Very high3 Ų342.8 Ų42.82%0.01522%0.222CC..Hα-helixtrans-72-43.6175.2-58.6174.6000108.9M38 C114 K116 F140 N158 D159 E163 M164 A165M38-I161 HydrophobicContact CE-CD1 4.21Å; C114-I161 WeakPolarHBondContact O-CD1 3.42Å; C114-I161 WeakPolarHBondContact O-CG1 3.39Å; C114-I161 WeakPolarHBondContact O-CG2 3.21Å; K116-I161 HydrophobicContact CD-CD1 4.44Å; F140-I161 HydrophobicContact CE1-CG2 4.31Å; F140-I161 HydrophobicContact CE2-CG2 4.01Å; F140-I161 HydrophobicContact CZ-CG2 3.48Å; F140-I161 VanDerWaalsContact CZ-CG2 3.48Å; F140-I161 WeakPolarHBondContact CZ-O 3.23Å; N158-I161 HydrophobicContact CB-CB 4.49Å; N158-I161 HydrophobicContact CB-CD1 4.45Å; N158-I161 WeakPolarHBondContact O-CA 3.27Å; N158-I161 WeakPolarHBondContact O-CB 3.48Å; N158-I161 PolarHBondContact O-N 2.66Å; D159-I161 VanDerWaalsContact C-N 3.28Å; D159-I161 PolarHBondContact O-N 2.71Å; I161-E163 VanDerWaalsContact C-N 3.34Å; I161-M164 WeakPolarHBondContact O-CB 3.49Å; I161-M164 PolarHBondContact O-N 2.99Å; I161-A165 PolarHBondContact O-N 3.18Å
162L98.9Very high98.5Very high27 Ų2743 Ų4314%0.14123%0.227CC..Hα-helixtrans-69.2-33.5176.2-58.5-177.2000111.7I142 I145 N158 D159 A165 K166 F198I142-L162 HydrophobicContact CG2-CD2 4.39Å; I145-L162 HydrophobicContact CD1-CD1 4.11Å; I145-L162 HydrophobicContact CD1-CD2 3.94Å; N158-L162 HydrophobicContact CB-CG 4.47Å; N158-L162 WeakPolarHBondContact O-CG 3.45Å; N158-L162 PolarHBondContact O-N 2.95Å; D159-L162 PolarHBondContact O-N 2.98Å; L162-A165 PolarHBondContact O-N 2.91Å; L162-K166 WeakPolarHBondContact O-CG 3.32Å; L162-K166 PolarHBondContact O-N 3.32Å; L162-K166 VanDerWaalsContact O-N 3.12Å; L162-F198 HydrophobicContact CB-CE2 4.16Å; L162-F198 HydrophobicContact CB-CZ 3.95Å; L162-F198 HydrophobicContact CD2-CD1 4.24Å; L162-F198 HydrophobicContact CD2-CE1 3.72Å; L162-F198 HydrophobicContact CD2-CE2 4.17Å; L162-F198 HydrophobicContact CD2-CZ 3.67Å; L162-F198 HydrophobicContact CG-CZ 4.33Å
163E98.8Very high98.5Very high85 Ų8540.2 Ų40.240%0.39721%0.214SC..Hα-helixtrans-62.5-43.8169.9-72.8173.816200112.1F118 F120 D159 I161 A165 K166 Y167F118-E163 HydrophobicContact CD1-CB 4.37Å; F118-E163 HydrophobicContact CE1-CB 4.08Å; F120-E163 HydrophobicContact CE2-CB 4.19Å; D159-E163 WeakPolarHBondContact O-CG 3.36Å; D159-E163 PolarHBondContact O-N 2.69Å; I161-E163 VanDerWaalsContact C-N 3.34Å; E163-A165 VanDerWaalsContact C-N 3.31Å; E163-A165 PolarHBondContact O-N 3.28Å; E163-K166 PolarHBondContact O-N 3.24Å; E163-Y167 PolarHBondContact O-N 3.18Å
164M98.8Very high98.5Very high0 Ų040.8 Ų40.80%022%0.217CC..Hα-helixtrans-58.1-44.7173.7-175.2173.4153.700111.1L89 G115 F118 F128 F140 N160 I161 K166 Y167 L168L89-M164 HydrophobicContact CD1-CE 4.1Å; L89-M164 HydrophobicContact CD1-SD 4.07Å; G115-M164 WeakPolarHBondContact CA-SD 3.42Å; F118-M164 HydrophobicContact CB-CB 3.84Å; F118-M164 HydrophobicContact CB-CG 4.15Å; F118-M164 HydrophobicContact CB-SD 3.86Å; F118-M164 HydrophobicContact CD1-CB 3.66Å; F118-M164 HydrophobicContact CD1-CG 4.44Å; F118-M164 HydrophobicContact CD2-CB 3.89Å; F118-M164 HydrophobicContact CD2-CG 3.75Å; F118-M164 HydrophobicContact CD2-SD 4.16Å; F118-M164 HydrophobicContact CE1-CB 4.16Å; F118-M164 HydrophobicContact CE2-CB 4.37Å; F118-M164 HydrophobicContact CE2-CG 4.25Å; F118-M164 HydrophobicContact CG-CB 3.51Å; F118-M164 HydrophobicContact CG-CG 3.86Å; F118-M164 HydrophobicContact CG-SD 4.19Å; F118-M164 HydrophobicContact CZ-CB 4.49Å; F128-M164 HydrophobicContact CE2-CE 3.96Å; F128-M164 HydrophobicContact CE2-SD 4.24Å; F128-M164 HydrophobicContact CZ-CE 3.85Å; F128-M164 HydrophobicContact CZ-CG 4.14Å; F128-M164 HydrophobicContact CZ-SD 4.18Å; F140-M164 HydrophobicContact CD2-CE 4.16Å; F140-M164 HydrophobicContact CE2-CE 3.96Å; F140-M164 HydrophobicContact CE2-CG 4.47Å; F140-M164 HydrophobicContact CE2-SD 3.96Å; F140-M164 HydrophobicContact CZ-CB 4.24Å; F140-M164 HydrophobicContact CZ-CG 4.35Å; F140-M164 HydrophobicContact CZ-SD 4.37Å; N160-M164 PolarHBondContact O-N 3.02Å; I161-M164 WeakPolarHBondContact O-CB 3.49Å; I161-M164 PolarHBondContact O-N 2.99Å; M164-K166 VanDerWaalsContact C-N 3.31Å; M164-K166 PolarHBondContact O-N 3.4Å; M164-Y167 PolarHBondContact O-N 2.82Å; M164-L168 HydrophobicContact CE-CD1 3.79Å; M164-L168 HydrophobicContact CG-CD1 3.95Å; M164-L168 HydrophobicContact CG-CG 4.24Å; M164-L168 WeakPolarHBondContact O-CB 3.37Å; M164-L168 VanDerWaalsContact O-CG 3.22Å; M164-L168 WeakPolarHBondContact O-CG 3.32Å; M164-L168 PolarHBondContact O-N 2.92Å
165A98.9Very high98.5Very high3 Ų340.9 Ų40.93%0.02522%0.218CC..Hα-helixtrans-58.2-44.6178.300000112F140 I161 L162 E163 L168 S169 F198 L202F140-A165 HydrophobicContact CD1-CB 4.34Å; F140-A165 HydrophobicContact CE1-CB 3.56Å; F140-A165 HydrophobicContact CZ-CB 4.42Å; I161-A165 PolarHBondContact O-N 3.18Å; L162-A165 PolarHBondContact O-N 2.91Å; E163-A165 VanDerWaalsContact C-N 3.31Å; E163-A165 PolarHBondContact O-N 3.28Å; A165-L168 PolarHBondContact O-N 3.02Å; A165-S169 WeakPolarHBondContact O-CB 3.36Å; A165-S169 PolarHBondContact O-N 3.12Å; A165-F198 HydrophobicContact CB-CE1 3.82Å; A165-F198 HydrophobicContact CB-CZ 3.7Å; A165-L202 HydrophobicContact CB-CD1 4.06Å; A165-L202 HydrophobicContact CB-CD2 4.42Å
166K98.9Very high98.6Very high112 Ų11239.4 Ų39.449%0.48720%0.197SC..Hα-helixtrans-63.7-47.9177.6-69.9172.9-177.3177.50111.3L162 E163 M164 L168 S169 D170 F198L162-K166 WeakPolarHBondContact O-CG 3.32Å; L162-K166 PolarHBondContact O-N 3.32Å; L162-K166 VanDerWaalsContact O-N 3.12Å; E163-K166 PolarHBondContact O-N 3.24Å; M164-K166 VanDerWaalsContact C-N 3.31Å; M164-K166 PolarHBondContact O-N 3.4Å; K166-L168 VanDerWaalsContact C-N 3.35Å; K166-L168 PolarHBondContact O-N 3.3Å; K166-S169 CarbonylContact O-C 3.6Å; K166-S169 WeakPolarHBondContact O-CA 3.24Å; K166-S169 VanDerWaalsContact O-CB 3.29Å; K166-S169 WeakPolarHBondContact O-CB 3.41Å; K166-S169 PolarHBondContact O-N 3.13Å; K166-D170 VanDerWaalsContact O-CG 3.29Å; K166-D170 PolarHBondContact O-N 2.89Å; K166-F198 HydrophobicContact CG-CE2 4.49Å
167Y98.9Very high98.6Very high23 Ų2336.6 Ų36.69%0.0918%0.184CC..Hα-helixtrans-59-45.3177.2174.1-97.6000112.1F118 F120 F125 F128 E129 E163 M164 S169 D170 I171F118-Y167 HydrophobicContact CE2-CD1 4.14Å; F118-Y167 HydrophobicContact CE2-CG 4.44Å; F118-Y167 HydrophobicContact CZ-CD1 4.27Å; F118-Y167 HydrophobicContact CZ-CG 4.1Å; F120-Y167 HydrophobicContact CE1-CD2 4.07Å; F120-Y167 HydrophobicContact CE1-CG 4.44Å; F125-Y167 HydrophobicContact CE2-CD2 4.12Å; F125-Y167 HydrophobicContact CE2-CE1 4.32Å; F125-Y167 AromaticContact CE2-CE2 3.77Å; F125-Y167 HydrophobicContact CE2-CE2 3.77Å; F125-Y167 AromaticContact CE2-CZ 3.88Å; F125-Y167 HydrophobicContact CZ-CD2 4.11Å; F125-Y167 AromaticContact CZ-CE2 3.47Å; F125-Y167 HydrophobicContact CZ-CE2 3.47Å; F125-Y167 VanDerWaalsContact CZ-CE2 3.47Å; F125-Y167 AromaticContact CZ-CZ 3.79Å; F128-Y167 HydrophobicContact CD1-CD1 4.37Å; F128-Y167 AromaticContact CD1-CE1 3.95Å; F128-Y167 HydrophobicContact CD1-CE1 3.95Å; F128-Y167 AromaticContact CE1-CD1 3.79Å; F128-Y167 HydrophobicContact CE1-CD1 3.79Å; F128-Y167 AromaticContact CE1-CE1 3.67Å; F128-Y167 HydrophobicContact CE1-CE1 3.67Å; E129-Y167 WeakPolarHBondContact CG-OH 3.45Å; E129-Y167 PolarHBondContact OE1-OH 3.4Å; E163-Y167 PolarHBondContact O-N 3.18Å; M164-Y167 PolarHBondContact O-N 2.82Å; Y167-S169 PolarHBondContact O-N 2.99Å; Y167-D170 WeakPolarHBondContact O-CB 3.38Å; Y167-D170 PolarHBondContact O-N 3.22Å; Y167-D170 VanDerWaalsContact O-N 3.11Å; Y167-I171 HydrophobicContact CE1-CD1 3.83Å; Y167-I171 HydrophobicContact CE1-CG1 4.36Å; Y167-I171 HydrophobicContact CE1-CG2 4.31Å; Y167-I171 HydrophobicContact CE2-CG2 4Å; Y167-I171 WeakPolarHBondContact O-CG1 3.43Å; Y167-I171 PolarHBondContact O-N 3.29Å
168L98.9Very high98.6Very high0 Ų035.4 Ų35.40%018%0.176CC..Hα-helixtrans-60.4-36.3176-69.4174.2000112.2F128 M132 I138 M164 A165 K166 I171 N172 K173 V175 N204F128-L168 HydrophobicContact CE1-CD2 4.25Å; F128-L168 HydrophobicContact CZ-CD2 4.09Å; M132-L168 HydrophobicContact CG-CD2 4.49Å; M132-L168 HydrophobicContact SD-CD2 3.7Å; I138-L168 HydrophobicContact CD1-CD1 3.58Å; I138-L168 HydrophobicContact CD1-CD2 3.43Å; I138-L168 VanDerWaalsContact CD1-CD2 3.43Å; I138-L168 HydrophobicContact CD1-CG 4.15Å; M164-L168 HydrophobicContact CE-CD1 3.79Å; M164-L168 HydrophobicContact CG-CD1 3.95Å; M164-L168 HydrophobicContact CG-CG 4.24Å; M164-L168 WeakPolarHBondContact O-CB 3.37Å; M164-L168 VanDerWaalsContact O-CG 3.22Å; M164-L168 WeakPolarHBondContact O-CG 3.32Å; M164-L168 PolarHBondContact O-N 2.92Å; A165-L168 PolarHBondContact O-N 3.02Å; K166-L168 VanDerWaalsContact C-N 3.35Å; K166-L168 PolarHBondContact O-N 3.3Å; L168-I171 HydrophobicContact CD2-CD1 4.43Å; L168-N172 PolarHBondContact O-N 3.17Å; L168-N172 VanDerWaalsContact O-N 3.13Å; L168-K173 HydrophobicContact CB-CB 4.42Å; L168-K173 HydrophobicContact CD2-CB 3.89Å; L168-K173 HydrophobicContact CD2-CG 3.88Å; L168-K173 PolarHBondContact O-N 3.15Å; L168-V175 HydrophobicContact CB-CG2 4.29Å; L168-V175 HydrophobicContact CD1-CG2 3.96Å; L168-N204 PolarHBondContact O-ND2 2.78Å; L168-N204 VanDerWaalsContact O-ND2 3.13Å
169S98.8Very high98.6Very high8 Ų835.4 Ų35.46%0.05618%0.176CC..Hα-helixtrans-64.6-44.3172.61740000111.9A165 K166 Y167 I171 N172 N203 N204A165-S169 WeakPolarHBondContact O-CB 3.36Å; A165-S169 PolarHBondContact O-N 3.12Å; K166-S169 CarbonylContact O-C 3.6Å; K166-S169 WeakPolarHBondContact O-CA 3.24Å; K166-S169 VanDerWaalsContact O-CB 3.29Å; K166-S169 WeakPolarHBondContact O-CB 3.41Å; K166-S169 PolarHBondContact O-N 3.13Å; Y167-S169 PolarHBondContact O-N 2.99Å; S169-I171 VanDerWaalsContact C-N 3.32Å; S169-I171 PolarHBondContact O-N 3.48Å; S169-N172 WeakPolarHBondContact O-CA 3.47Å; S169-N172 PolarHBondContact O-N 2.85Å; S169-N203 PolarHBondContact OG-N 3.11Å; S169-N204 WeakPolarHBondContact CA-OD1 3.4Å; S169-N204 WeakPolarHBondContact CB-OD1 3.32Å; S169-N204 PolarHBondContact N-ND2 2.85Å
170D98.7Very high98.6Very high131 Ų13132.5 Ų32.570%0.70116%0.16SC*.Hα-helixtrans-62.3-38.5-180-64.9-22.3000112.2K166 Y167 N172K166-D170 VanDerWaalsContact O-CG 3.29Å; K166-D170 PolarHBondContact O-N 2.89Å; Y167-D170 WeakPolarHBondContact O-CB 3.38Å; Y167-D170 PolarHBondContact O-N 3.22Å; Y167-D170 VanDerWaalsContact O-N 3.11Å; D170-N172 VanDerWaalsContact C-N 3.29Å
171I98.2Very high98.6Very high69 Ų6931.6 Ų31.635%0.35416%0.156SC..THydrogen-bonded Turntrans-87.54.817569.4163.1000113.6M132 Y167 L168 S169 K173M132-I171 HydrophobicContact CB-CD1 4.19Å; M132-I171 HydrophobicContact CG-CD1 4.08Å; Y167-I171 HydrophobicContact CE1-CD1 3.83Å; Y167-I171 HydrophobicContact CE1-CG1 4.36Å; Y167-I171 HydrophobicContact CE1-CG2 4.31Å; Y167-I171 HydrophobicContact CE2-CG2 4Å; Y167-I171 WeakPolarHBondContact O-CG1 3.43Å; Y167-I171 PolarHBondContact O-N 3.29Å; L168-I171 HydrophobicContact CD2-CD1 4.43Å; S169-I171 VanDerWaalsContact C-N 3.32Å; S169-I171 PolarHBondContact O-N 3.48Å; I171-K173 HydrophobicContact CD1-CB 3.92Å; I171-K173 HydrophobicContact CG1-CB 3.9Å; I171-K173 PolarHBondContact O-N 2.83Å
172N97.8Very high98.6Very high90 Ų9031.5 Ų31.548%0.48116%0.155SC..THydrogen-bonded Turntrans52.335.8-178.7-165.229.1000114.5L168 S169 D170L168-N172 PolarHBondContact O-N 3.17Å; L168-N172 VanDerWaalsContact O-N 3.13Å; S169-N172 WeakPolarHBondContact O-CA 3.47Å; S169-N172 PolarHBondContact O-N 2.85Å; D170-N172 VanDerWaalsContact C-N 3.29Å
173K98.2Very high98.5Very high35 Ų3530.7 Ų30.715%0.15215%0.152CC..  trans-73.8128.9178.9179.659.558.2-173.20109.6M132 T135 I138 L168 I171 V175 N204M132-K173 WeakPolarHBondContact O-CE 3.27Å; M132-K173 PolarHBondContact O-NZ 3.2Å; M132-K173 HydrophobicContact SD-CD 4.31Å; M132-K173 HydrophobicContact SD-CG 4.01Å; T135-K173 PolarHBondContact O-NZ 3.44Å; I138-K173 HydrophobicContact CD1-CG 3.78Å; I138-K173 HydrophobicContact CG1-CG 4.28Å; L168-K173 HydrophobicContact CB-CB 4.42Å; L168-K173 HydrophobicContact CD2-CB 3.89Å; L168-K173 HydrophobicContact CD2-CG 3.88Å; L168-K173 PolarHBondContact O-N 3.15Å; I171-K173 HydrophobicContact CD1-CB 3.92Å; I171-K173 HydrophobicContact CG1-CB 3.9Å; I171-K173 PolarHBondContact O-N 2.83Å; K173-V175 PolarHBondContact O-N 3.23Å; K173-N204 VanDerWaalsContact O-CB 3.32Å; K173-N204 WeakPolarHBondContact O-CB 3.48Å; K173-N204 PolarHBondContact O-ND2 3.27Å
174P98.1Very high98.4Very high14 Ų1432.8 Ų32.89%0.09116%0.16CC..  trans-64.9131.5-174.6-20.535.8000111.3D136 L137 I138 R259D136-P174 WeakPolarHBondContact O-CG 3.47Å; L137-P174 HydrophobicContact CD1-CB 4.22Å; I138-P174 PolarHBondContact N-O 2.96Å; P174-R259 VanDerWaalsContact CG-NH1 3.3Å
175V98.6Very high98.3Very high2 Ų236.5 Ų36.51%0.01217%0.174CC..EExtended strand (participates in β ladder)trans-129137.6-179.5171.90000110.7I138 F140 L168 K173 I177 N204 D206I138-V175 HydrophobicContact CB-CG2 4.25Å; I138-V175 CarbonylContact O-C 3.59Å; I138-V175 WeakPolarHBondContact O-CA 3.15Å; F140-V175 HydrophobicContact CB-CG1 3.61Å; F140-V175 HydrophobicContact CD1-CG1 4.4Å; F140-V175 HydrophobicContact CG-CG1 4.46Å; L168-V175 HydrophobicContact CB-CG2 4.29Å; L168-V175 HydrophobicContact CD1-CG2 3.96Å; K173-V175 PolarHBondContact O-N 3.23Å; V175-I177 HydrophobicContact CG1-CD1 3.51Å; V175-I177 HydrophobicContact CG1-CG1 4.02Å; V175-N204 WeakPolarHBondContact CG2-ND2 3.48Å; V175-N204 PolarHBondContact N-O 3.5Å; V175-N204 VanDerWaalsContact N-O 3.12Å; V175-D206 PolarHBondContact O-N 3.45Å
176W98.4Very high98.3Very high19 Ų1936.4 Ų36.47%0.07217%0.173CC..EExtended strand (participates in β ladder)trans-104.1115.3158.6-64.32.5000108P25 L137 I138 L139 F140 K207 Y256P25-W176 HydrophobicContact CB-CH2 4.03Å; P25-W176 HydrophobicContact CB-CZ2 4.33Å; P25-W176 HydrophobicContact CG-CH2 4.47Å; L137-W176 HydrophobicContact CD1-CD2 4.36Å; L137-W176 HydrophobicContact CD1-CG 3.94Å; L137-W176 HydrophobicContact CD2-CD2 3.93Å; L137-W176 HydrophobicContact CD2-CE3 4.36Å; L137-W176 HydrophobicContact CD2-CG 4.33Å; L137-W176 HydrophobicContact CD2-CH2 4.4Å; L137-W176 HydrophobicContact CD2-CZ2 3.98Å; I138-W176 PolarHBondContact O-N 2.8Å; L139-W176 HydrophobicContact CD2-CB 3.76Å; L139-W176 HydrophobicContact CD2-CD2 3.84Å; L139-W176 HydrophobicContact CD2-CE3 3.49Å; L139-W176 VanDerWaalsContact CD2-CE3 3.49Å; L139-W176 HydrophobicContact CD2-CG 4.01Å; L139-W176 HydrophobicContact CD2-CZ3 4.3Å; F140-W176 PolarHBondContact N-O 3.3Å; W176-K207 CarbonylContact C-O 3.49Å; W176-K207 VanDerWaalsContact CA-O 3.32Å; W176-K207 WeakPolarHBondContact CA-O 3.17Å; W176-K207 HydrophobicContact CB-CB 4.11Å; W176-K207 HydrophobicContact CD2-CB 3.99Å; W176-K207 HydrophobicContact CD2-CD 3.88Å; W176-K207 HydrophobicContact CE3-CD 3.89Å; W176-K207 HydrophobicContact CG-CB 3.62Å; W176-K207 HydrophobicContact CG-CD 4.35Å; W176-K207 HydrophobicContact CZ3-CD 4.24Å; W176-Y256 HydrophobicContact CZ2-CD2 4.41Å; W176-Y256 HydrophobicContact CZ2-CG 4.31Å
177I98.8Very high98.3Very high1 Ų132 Ų321%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-77.7130.2175.8-60.4-65.6000108.5F140 I142 V175 I199 V205 K207 V208 E209F140-I177 HydrophobicContact CB-CD1 4.31Å; F140-I177 HydrophobicContact CD1-CD1 3.76Å; F140-I177 CarbonylContact O-C 3.14Å; F140-I177 WeakPolarHBondContact O-CA 3.44Å; I142-I177 HydrophobicContact CB-CG2 4.44Å; I142-I177 HydrophobicContact CD1-CD1 3.88Å; I142-I177 HydrophobicContact CD1-CG2 4.19Å; I142-I177 HydrophobicContact CG1-CD1 4.32Å; I142-I177 HydrophobicContact CG1-CG2 4.27Å; V175-I177 HydrophobicContact CG1-CD1 3.51Å; V175-I177 HydrophobicContact CG1-CG1 4.02Å; I177-I199 HydrophobicContact CB-CD1 4.37Å; I177-I199 HydrophobicContact CG1-CG1 4.47Å; I177-I199 HydrophobicContact CG2-CD1 3.78Å; I177-I199 HydrophobicContact CG2-CG1 4.35Å; I177-V205 HydrophobicContact CB-CG1 4.49Å; I177-V205 HydrophobicContact CD1-CG2 4.47Å; I177-V205 HydrophobicContact CG1-CG1 3.81Å; I177-V205 HydrophobicContact CG1-CG2 3.92Å; I177-K207 PolarHBondContact N-O 3.02Å; I177-V208 HydrophobicContact CB-CG2 4.31Å; I177-V208 CarbonylContact O-C 3.55Å; I177-V208 WeakPolarHBondContact O-CA 3.21Å; I177-E209 PolarHBondContact O-N 3.05Å
178R98.7Very high98.3Very high24 Ų2435.7 Ų35.79%0.09117%0.169CC..EExtended strand (participates in β ladder)trans-117.1129.5177.2-58.5179.883.5-163.23.4109D112 F140 D141 I142 E209 L211D112-R178 IonicContact OD1-NH1 3.03Å; D112-R178 IonicContact OD2-NH1 3.8Å; F140-R178 PolarHBondContact O-N 3.38Å; D141-R178 WeakPolarHBondContact CA-O 3.49Å; I142-R178 PolarHBondContact N-O 3.18Å; R178-E209 HydrophobicContact CG-CB 4.35Å; R178-E209 IonicContact NE-OE2 2.8Å; R178-E209 PolarHBondContact NE-OE2 3.42Å; R178-L211 HydrophobicContact CB-CD1 4.03Å
179H98.6Very high98.2Very high4 Ų438.9 Ų38.92%0.01919%0.186CC..EExtended strand (participates in β ladder)trans-126.1112.5178.6-176.172.4000109.9I142 L181 S186 L195 E209 I210 L211I142-H179 PolarHBondContact O-ND1 2.64Å; H179-L181 PolarHBondContact O-N 3.43Å; H179-S186 PolarHBondContact NE2-O 3.06Å; H179-L195 HydrophobicContact CB-CD2 4.2Å; H179-L195 WeakPolarHBondContact ND1-CD2 3.12Å; H179-E209 PolarHBondContact N-O 3.32Å; H179-I210 HydrophobicContact CB-CD1 4.04Å; H179-L211 PolarHBondContact O-N 2.92Å
180V98.2Very high98.2Very high14 Ų1443.9 Ų43.99%0.08521%0.209CC..EExtended strand (participates in β ladder)trans-76.2117.2174-1740000109F42 V182 S186 L211F42-V180 HydrophobicContact CD2-CB 4.31Å; F42-V180 HydrophobicContact CD2-CG1 3.9Å; F42-V180 HydrophobicContact CD2-CG2 4.36Å; F42-V180 HydrophobicContact CE2-CB 3.82Å; F42-V180 HydrophobicContact CE2-CG1 3.94Å; F42-V180 HydrophobicContact CE2-CG2 3.71Å; F42-V180 HydrophobicContact CG-CG1 4.33Å; F42-V180 HydrophobicContact CZ-CB 4.01Å; F42-V180 HydrophobicContact CZ-CG1 4.39Å; F42-V180 HydrophobicContact CZ-CG2 4.24Å; V180-V182 HydrophobicContact CG1-CG2 3.78Å; V180-V182 PolarHBondContact O-N 2.8Å; V180-S186 PolarHBondContact O-OG 3.04Å; V180-L211 CarbonylContact C-O 3.52Å; V180-L211 VanDerWaalsContact CA-O 3.28Å; V180-L211 WeakPolarHBondContact CA-O 3.49Å; V180-L211 HydrophobicContact CG2-CB 4.18Å; V180-L211 HydrophobicContact CG2-CD1 4.14Å
181L98.6Very high98.2Very high0 Ų038.6 Ų38.60%018%0.179CC..EExtended strand (participates in β ladder)trans-90.8100.8-179.2-166.975.5000109.4H179 D187 L192 I210 L211 Y213 P236 R240 V241 A244H179-L181 PolarHBondContact O-N 3.43Å; L181-D187 HydrophobicContact CD1-CB 3.58Å; L181-D187 HydrophobicContact CG-CB 3.84Å; L181-L192 HydrophobicContact CD1-CD1 4.27Å; L181-L192 HydrophobicContact CD1-CD2 4.23Å; L181-I210 HydrophobicContact CB-CG2 3.92Å; L181-I210 HydrophobicContact CD2-CG2 4.06Å; L181-L211 PolarHBondContact N-O 2.9Å; L181-Y213 VanDerWaalsContact O-CB 3.25Å; L181-Y213 WeakPolarHBondContact O-CB 3.29Å; L181-Y213 PolarHBondContact O-N 3.36Å; L181-P236 HydrophobicContact CD2-CB 4.12Å; L181-P236 HydrophobicContact CD2-CG 4.19Å; L181-R240 HydrophobicContact CD2-CG 4.22Å; L181-V241 HydrophobicContact CD2-CG2 4.16Å; L181-A244 HydrophobicContact CD1-CB 3.84Å; L181-A244 HydrophobicContact CD2-CB 3.82Å
182V98.2Very high98.3Very high0 Ų035.3 Ų35.30%016%0.162CC..  trans-109.8119.9-177.6-175.60000108.4F42 V180 F184 R185 S186 D187 Y213 L230F42-V182 HydrophobicContact CB-CG2 4.14Å; F42-V182 HydrophobicContact CD1-CG2 3.62Å; F42-V182 HydrophobicContact CE1-CG2 4.15Å; F42-V182 HydrophobicContact CG-CG2 3.94Å; V180-V182 HydrophobicContact CG1-CG2 3.78Å; V180-V182 PolarHBondContact O-N 2.8Å; V182-F184 PolarHBondContact O-N 2.83Å; V182-R185 HydrophobicContact CB-CB 3.89Å; V182-R185 HydrophobicContact CB-CG 4.41Å; V182-R185 HydrophobicContact CG1-CB 3.83Å; V182-R185 HydrophobicContact CG1-CG 3.79Å; V182-R185 PolarHBondContact O-N 3Å; V182-R185 VanDerWaalsContact O-N 3.14Å; V182-S186 PolarHBondContact N-OG 3.38Å; V182-S186 PolarHBondContact O-N 3.38Å; V182-D187 PolarHBondContact O-N 2.85Å; V182-Y213 HydrophobicContact CG1-CG 4.33Å; V182-Y213 HydrophobicContact CG2-CG 4.49Å; V182-L230 HydrophobicContact CG1-CD1 3.8Å; V182-L230 HydrophobicContact CG1-CD2 4.32Å
183P98.2Very high98.3Very high11 Ų1135.1 Ų35.17%0.07116%0.161CC..THydrogen-bonded Turntrans-54.8135.8178-31.740.5000113.5R185 D187 I233 E234 P236P183-R185 PolarHBondContact O-N 3.18Å; P183-D187 WeakPolarHBondContact CA-OD2 3.36Å; P183-I233 HydrophobicContact CB-CG2 4.05Å; P183-I233 HydrophobicContact CG-CG2 4.4Å; P183-E234 WeakPolarHBondContact CG-O 3.25Å; P183-P236 HydrophobicContact CG-CB 3.98Å
184F96.5Very high98.3Very high128 Ų12837.9 Ų37.956%0.56117%0.17SC*.THydrogen-bonded Turntrans59.426.8-178.5-43.2-73.1000113.9V182 D187 Y188 I233V182-F184 PolarHBondContact O-N 2.83Å; F184-D187 PolarHBondContact N-OD1 3.15Å; F184-Y188 VanDerWaalsContact C-OH 3.27Å; F184-Y188 WeakPolarHBondContact CA-OH 3.42Å; F184-Y188 PolarHBondContact O-OH 3.12Å; F184-I233 HydrophobicContact CD2-CD1 3.99Å
185R97.1Very high98.4Very high79 Ų7937.3 Ų37.330%0.29817%0.166SC..THydrogen-bonded Turntrans-141.4-64.2-179.7-65.3-64.7-177.7-80.7-5.3111.9L153 V182 P183 L230L153-R185 HydrophobicContact CD1-CB 3.97Å; L153-R185 HydrophobicContact CD1-CG 4.23Å; V182-R185 HydrophobicContact CB-CB 3.89Å; V182-R185 HydrophobicContact CB-CG 4.41Å; V182-R185 HydrophobicContact CG1-CB 3.83Å; V182-R185 HydrophobicContact CG1-CG 3.79Å; V182-R185 PolarHBondContact O-N 3Å; V182-R185 VanDerWaalsContact O-N 3.14Å; P183-R185 PolarHBondContact O-N 3.18Å; R185-L230 HydrophobicContact CG-CD2 4.2Å
186S98.2Very high98.4Very high0 Ų037.8 Ų37.80%017%0.169CC..THydrogen-bonded Turntrans-117.5-0.5-177.754.50000113H179 V180 V182H179-S186 PolarHBondContact NE2-O 3.06Å; V180-S186 PolarHBondContact O-OG 3.04Å; V182-S186 PolarHBondContact N-OG 3.38Å; V182-S186 PolarHBondContact O-N 3.38Å
187D98.2Very high98.4Very high19 Ų1941.2 Ų41.210%0.10219%0.192CC..  trans-93.69-175.776.9-39.3000115.3L181 V182 P183 F184 R240L181-D187 HydrophobicContact CD1-CB 3.58Å; L181-D187 HydrophobicContact CG-CB 3.84Å; V182-D187 PolarHBondContact O-N 2.85Å; P183-D187 WeakPolarHBondContact CA-OD2 3.36Å; F184-D187 PolarHBondContact N-OD1 3.15Å; D187-R240 VanDerWaalsContact O-CZ 3.22Å; D187-R240 PolarHBondContact O-NE 3.42Å; D187-R240 PolarHBondContact O-NH2 3.03Å; D187-R240 IonicContact OD2-NE 3Å
188Y98.4Very high98.4Very high101 Ų10142.4 Ų42.440%0.39620%0.197SC..  trans-74.8131.2178.6-55.8-83.1000111.8F184 E190 F191 L192F184-Y188 VanDerWaalsContact C-OH 3.27Å; F184-Y188 WeakPolarHBondContact CA-OH 3.42Å; F184-Y188 PolarHBondContact O-OH 3.12Å; Y188-E190 VanDerWaalsContact C-N 3.27Å; Y188-E190 PolarHBondContact O-N 2.81Å; Y188-F191 AromaticContact CD2-CD2 3.78Å; Y188-F191 HydrophobicContact CD2-CD2 3.78Å; Y188-F191 AromaticContact CD2-CE2 3.82Å; Y188-F191 HydrophobicContact CD2-CE2 3.82Å; Y188-F191 HydrophobicContact CG-CD2 4.12Å; Y188-F191 HydrophobicContact CG-CE2 4.23Å; Y188-F191 PolarHBondContact O-N 2.86Å; Y188-L192 PolarHBondContact O-N 2.86Å; Y188-L192 VanDerWaalsContact O-N 3.09Å
189D98.7Very high98.4Very high68 Ų6841.2 Ų41.236%0.36419%0.193SC..Hα-helixtrans-53.2-41.3-178.9-72.44.9000112.9F191 L192 I193 R240 N243 L247D189-F191 VanDerWaalsContact C-N 3.3Å; D189-F191 PolarHBondContact O-N 3.15Å; D189-L192 PolarHBondContact O-N 2.89Å; D189-I193 VanDerWaalsContact O-CG1 3.27Å; D189-I193 WeakPolarHBondContact O-CG1 3.25Å; D189-I193 PolarHBondContact O-N 2.81Å; D189-R240 IonicContact OD1-CZ 2.91Å; D189-R240 VanDerWaalsContact OD1-CZ 3.23Å; D189-R240 IonicContact OD1-NH1 3.52Å; D189-R240 PolarHBondContact OD1-NH1 3.49Å; D189-R240 IonicContact OD1-NH2 3.53Å; D189-R240 PolarHBondContact OD1-NH2 3.18Å; D189-N243 PolarHBondContact OD1-OD1 3.2Å; D189-L247 HydrophobicContact CB-CD1 3.84Å; D189-L247 WeakPolarHBondContact OD1-CD1 3.47Å
190E98.5Very high98.4Very high113 Ų11345.9 Ų45.953%0.52821%0.213SC..Hα-helixtrans-53.2-47.8176.7-173.8-151.3135.800111.7Y188 I193 R194Y188-E190 VanDerWaalsContact C-N 3.27Å; Y188-E190 PolarHBondContact O-N 2.81Å; E190-I193 PolarHBondContact O-N 2.83Å; E190-R194 WeakPolarHBondContact O-CG 3.42Å; E190-R194 PolarHBondContact O-N 3.46Å; E190-R194 IonicContact OE1-NH1 3.65Å; E190-R194 PolarHBondContact OE1-NH1 3.38Å
191F98.6Very high98.4Very high19 Ų1948.6 Ų48.68%0.08323%0.232CC..Hα-helixtrans-75-31.3-178.2-59.6-50.1000111.9I145 D146 K149 Y188 D189 R194 L195I145-F191 HydrophobicContact CG2-CB 4.09Å; I145-F191 HydrophobicContact CG2-CD1 4.4Å; I145-F191 VanDerWaalsContact CG2-O 3.29Å; I145-F191 WeakPolarHBondContact CG2-O 3.4Å; D146-F191 HydrophobicContact CB-CD1 3.74Å; D146-F191 HydrophobicContact CB-CE1 3.54Å; D146-F191 HydrophobicContact CB-CZ 4.35Å; K149-F191 HydrophobicContact CG-CE1 4.27Å; K149-F191 HydrophobicContact CG-CE2 3.88Å; K149-F191 HydrophobicContact CG-CZ 3.61Å; Y188-F191 AromaticContact CD2-CD2 3.78Å; Y188-F191 HydrophobicContact CD2-CD2 3.78Å; Y188-F191 AromaticContact CD2-CE2 3.82Å; Y188-F191 HydrophobicContact CD2-CE2 3.82Å; Y188-F191 HydrophobicContact CG-CD2 4.12Å; Y188-F191 HydrophobicContact CG-CE2 4.23Å; Y188-F191 PolarHBondContact O-N 2.86Å; D189-F191 VanDerWaalsContact C-N 3.3Å; D189-F191 PolarHBondContact O-N 3.15Å; F191-R194 PolarHBondContact O-N 3.08Å; F191-L195 VanDerWaalsContact O-CB 3.23Å; F191-L195 WeakPolarHBondContact O-CB 3.32Å; F191-L195 PolarHBondContact O-N 2.96Å
192L98.8Very high98.4Very high0 Ų049.3 Ų49.30%024%0.236CC..Hα-helixtrans-67.9-40173.9-63.8170.6000111.4L181 Y188 D189 L195 D196 A244 L247 L248L181-L192 HydrophobicContact CD1-CD1 4.27Å; L181-L192 HydrophobicContact CD1-CD2 4.23Å; Y188-L192 PolarHBondContact O-N 2.86Å; Y188-L192 VanDerWaalsContact O-N 3.09Å; D189-L192 PolarHBondContact O-N 2.89Å; L192-L195 PolarHBondContact O-N 3.16Å; L192-D196 WeakPolarHBondContact O-CB 3.4Å; L192-D196 PolarHBondContact O-N 3.33Å; L192-A244 HydrophobicContact CD1-CB 3.78Å; L192-L247 HydrophobicContact CB-CB 4.21Å; L192-L247 HydrophobicContact CB-CD1 4.07Å; L192-L247 HydrophobicContact CD1-CD1 4Å; L192-L248 HydrophobicContact CD2-CD1 4.18Å; L192-L248 HydrophobicContact CD2-CG 4.41Å; L192-L248 WeakPolarHBondContact O-CD2 3.45Å
193I98.8Very high98.4Very high86 Ų8655.7 Ų55.744%0.44127%0.27SS..Hα-helixtrans-65.6-41.1175.5-66.7166.1000111D189 E190 L195 D196 T197 L247D189-I193 VanDerWaalsContact O-CG1 3.27Å; D189-I193 WeakPolarHBondContact O-CG1 3.25Å; D189-I193 PolarHBondContact O-N 2.81Å; E190-I193 PolarHBondContact O-N 2.83Å; I193-L195 VanDerWaalsContact C-N 3.34Å; I193-D196 WeakPolarHBondContact O-CB 3.37Å; I193-D196 PolarHBondContact O-N 3.23Å; I193-T197 PolarHBondContact O-N 3.48Å; I193-T197 PolarHBondContact O-OG1 3.11Å; I193-L247 HydrophobicContact CD1-CD2 4.32Å; I193-L247 HydrophobicContact CG1-CD2 4.04Å
194R98.8Very high98.4Very high94 Ų9455.3 Ų55.336%0.35527%0.267SS..Hα-helixtrans-64.5-39.8174.2-74.3168.860.4-175.1-3.8111.7I145 D146 E190 F191 T197 F198I145-R194 HydrophobicContact CG1-CB 4.35Å; I145-R194 HydrophobicContact CG2-CB 3.73Å; D146-R194 IonicContact OD2-CZ 3.74Å; D146-R194 IonicContact OD2-NH1 3.41Å; D146-R194 PolarHBondContact OD2-NH1 2.85Å; D146-R194 VanDerWaalsContact OD2-NH1 3.12Å; D146-R194 IonicContact OD2-NH2 3.1Å; D146-R194 PolarHBondContact OD2-NH2 2.89Å; E190-R194 WeakPolarHBondContact O-CG 3.42Å; E190-R194 PolarHBondContact O-N 3.46Å; E190-R194 IonicContact OE1-NH1 3.65Å; E190-R194 PolarHBondContact OE1-NH1 3.38Å; F191-R194 PolarHBondContact O-N 3.08Å; R194-T197 PolarHBondContact O-N 2.92Å; R194-F198 PolarHBondContact O-N 3.3Å; R194-F198 VanDerWaalsContact O-N 3.08Å
195L98.8Very high98.5Very high1 Ų150 Ų501%0.00525%0.245CC..Hα-helixtrans-65.1-43.8175.1178.259.3000111.4I142 I145 H179 F191 L192 I193 T197 F198 I199 L248I142-L195 HydrophobicContact CB-CD1 4.05Å; I142-L195 HydrophobicContact CD1-CD1 4.2Å; I142-L195 HydrophobicContact CG2-CD1 3.53Å; I145-L195 HydrophobicContact CB-CB 4.18Å; I145-L195 HydrophobicContact CB-CD1 4.47Å; I145-L195 HydrophobicContact CD1-CD1 4.35Å; I145-L195 HydrophobicContact CG2-CB 4.37Å; H179-L195 HydrophobicContact CB-CD2 4.2Å; H179-L195 WeakPolarHBondContact ND1-CD2 3.12Å; F191-L195 VanDerWaalsContact O-CB 3.23Å; F191-L195 WeakPolarHBondContact O-CB 3.32Å; F191-L195 PolarHBondContact O-N 2.96Å; L192-L195 PolarHBondContact O-N 3.16Å; I193-L195 VanDerWaalsContact C-N 3.34Å; L195-T197 VanDerWaalsContact C-N 3.33Å; L195-T197 PolarHBondContact O-N 3.31Å; L195-F198 WeakPolarHBondContact O-CB 3.24Å; L195-F198 PolarHBondContact O-N 2.97Å; L195-F198 VanDerWaalsContact O-N 3.15Å; L195-I199 HydrophobicContact CD1-CD1 3.85Å; L195-I199 HydrophobicContact CD1-CG1 3.96Å; L195-I199 HydrophobicContact CD2-CD1 4.41Å; L195-I199 HydrophobicContact CG-CD1 3.75Å; L195-I199 HydrophobicContact CG-CG1 4.29Å; L195-I199 VanDerWaalsContact O-CG1 3.31Å; L195-I199 WeakPolarHBondContact O-CG1 3.09Å; L195-I199 PolarHBondContact O-N 3.28Å; L195-L248 HydrophobicContact CB-CD2 3.91Å; L195-L248 HydrophobicContact CD2-CD1 4.27Å; L195-L248 HydrophobicContact CD2-CD2 3.93Å; L195-L248 HydrophobicContact CG-CD2 3.77Å
196D98.9Very high98.5Very high12 Ų1246.8 Ų46.86%0.06423%0.234CC..Hα-helixtrans-55.1-49.1174179.670.2000111.1L192 I193 F198 I199 K200 L247 L248 H249L192-D196 WeakPolarHBondContact O-CB 3.4Å; L192-D196 PolarHBondContact O-N 3.33Å; I193-D196 WeakPolarHBondContact O-CB 3.37Å; I193-D196 PolarHBondContact O-N 3.23Å; D196-F198 VanDerWaalsContact C-N 3.28Å; D196-F198 PolarHBondContact O-N 3.44Å; D196-I199 PolarHBondContact O-N 2.96Å; D196-K200 WeakPolarHBondContact O-CB 3.34Å; D196-K200 WeakPolarHBondContact O-CG 3.31Å; D196-K200 PolarHBondContact O-N 3.04Å; D196-K200 WeakPolarHBondContact OD1-CE 3.37Å; D196-K200 IonicContact OD1-NZ 2.77Å; D196-K200 PolarHBondContact OD1-NZ 2.86Å; D196-K200 WeakPolarHBondContact OD2-CD 3.08Å; D196-K200 VanDerWaalsContact OD2-CE 3.27Å; D196-K200 WeakPolarHBondContact OD2-CE 3.46Å; D196-K200 IonicContact OD2-NZ 2.67Å; D196-K200 PolarHBondContact OD2-NZ 2.61Å; D196-L247 WeakPolarHBondContact CB-O 3.47Å; D196-L248 HydrophobicContact CB-CD2 4.01Å; D196-L248 VanDerWaalsContact OD1-C 3.3Å; D196-H249 IonicContact OD1-CE1 3.64Å; D196-H249 IonicContact OD1-CG 2.73Å; D196-H249 IonicContact OD1-ND1 3.43Å; D196-H249 PolarHBondContact OD1-ND1 3.03Å; D196-H249 IonicContact OD2-CE1 3.3Å; D196-H249 IonicContact OD2-ND1 3.5Å; D196-H249 PolarHBondContact OD2-ND1 3.28Å
197T98.8Very high98.5Very high92 Ų9249 Ų4956%0.56424%0.244SC*.Hα-helixtrans-57.7-42.5177.9-570000111.4I193 R194 L195 S201I193-T197 PolarHBondContact O-N 3.48Å; I193-T197 PolarHBondContact O-OG1 3.11Å; R194-T197 PolarHBondContact O-N 2.92Å; L195-T197 VanDerWaalsContact C-N 3.33Å; L195-T197 PolarHBondContact O-N 3.31Å; T197-S201 PolarHBondContact O-N 3.25Å
198F98.9Very high98.5Very high25 Ų2548.5 Ų48.511%0.1124%0.241CC..Hα-helixtrans-66.1-49176.5178.2-100.5000112.2I142 I145 L162 A165 K166 R194 L195 D196 K200 S201 L202I142-F198 HydrophobicContact CD1-CD1 3.92Å; I142-F198 HydrophobicContact CD1-CE1 3.63Å; I145-F198 HydrophobicContact CD1-CB 3.7Å; I145-F198 HydrophobicContact CD1-CD1 4.1Å; I145-F198 HydrophobicContact CD1-CD2 4.32Å; I145-F198 HydrophobicContact CD1-CG 3.77Å; L162-F198 HydrophobicContact CB-CE2 4.16Å; L162-F198 HydrophobicContact CB-CZ 3.95Å; L162-F198 HydrophobicContact CD2-CD1 4.24Å; L162-F198 HydrophobicContact CD2-CE1 3.72Å; L162-F198 HydrophobicContact CD2-CE2 4.17Å; L162-F198 HydrophobicContact CD2-CZ 3.67Å; L162-F198 HydrophobicContact CG-CZ 4.33Å; A165-F198 HydrophobicContact CB-CE1 3.82Å; A165-F198 HydrophobicContact CB-CZ 3.7Å; K166-F198 HydrophobicContact CG-CE2 4.49Å; R194-F198 PolarHBondContact O-N 3.3Å; R194-F198 VanDerWaalsContact O-N 3.08Å; L195-F198 WeakPolarHBondContact O-CB 3.24Å; L195-F198 PolarHBondContact O-N 2.97Å; L195-F198 VanDerWaalsContact O-N 3.15Å; D196-F198 VanDerWaalsContact C-N 3.28Å; D196-F198 PolarHBondContact O-N 3.44Å; F198-K200 VanDerWaalsContact C-N 3.31Å; F198-K200 PolarHBondContact O-N 3.14Å; F198-S201 WeakPolarHBondContact O-CB 3.13Å; F198-S201 PolarHBondContact O-N 3.44Å; F198-S201 PolarHBondContact O-OG 3.32Å; F198-L202 HydrophobicContact CD1-CD1 4.43Å; F198-L202 HydrophobicContact CE1-CD1 3.95Å; F198-L202 HydrophobicContact CZ-CD2 4.35Å
199I98.8Very high98.5Very high0 Ų045.1 Ų45.10%023%0.229CC..Hα-helixtrans-61.5-40.9-178.9-64.9171000110.5I177 L195 D196 S201 L202 V205 V208 L248 Y253I177-I199 HydrophobicContact CB-CD1 4.37Å; I177-I199 HydrophobicContact CG1-CG1 4.47Å; I177-I199 HydrophobicContact CG2-CD1 3.78Å; I177-I199 HydrophobicContact CG2-CG1 4.35Å; L195-I199 HydrophobicContact CD1-CD1 3.85Å; L195-I199 HydrophobicContact CD1-CG1 3.96Å; L195-I199 HydrophobicContact CD2-CD1 4.41Å; L195-I199 HydrophobicContact CG-CD1 3.75Å; L195-I199 HydrophobicContact CG-CG1 4.29Å; L195-I199 VanDerWaalsContact O-CG1 3.31Å; L195-I199 WeakPolarHBondContact O-CG1 3.09Å; L195-I199 PolarHBondContact O-N 3.28Å; D196-I199 PolarHBondContact O-N 2.96Å; I199-S201 PolarHBondContact O-N 2.85Å; I199-S201 VanDerWaalsContact O-N 3.16Å; I199-L202 WeakPolarHBondContact O-CB 3.11Å; I199-L202 PolarHBondContact O-N 3.29Å; I199-V205 HydrophobicContact CG2-CB 4.37Å; I199-V205 HydrophobicContact CG2-CG1 4.04Å; I199-V205 HydrophobicContact CG2-CG2 4.13Å; I199-V208 HydrophobicContact CD1-CG1 4.22Å; I199-V208 HydrophobicContact CD1-CG2 4.29Å; I199-V208 HydrophobicContact CG2-CG2 3.9Å; I199-L248 HydrophobicContact CD1-CD2 4.44Å; I199-Y253 HydrophobicContact CG2-CE1 3.69Å; I199-Y253 HydrophobicContact CG2-CE2 4.36Å; I199-Y253 WeakPolarHBondContact CG2-OH 3.4Å
200K98.6Very high98.5Very high102 Ų10242.7 Ų42.744%0.44322%0.216SC..Hα-helixtrans-62.5-19175.8-76.9178.2176.2160.10114.1D196 F198 L202 H249 Y253D196-K200 WeakPolarHBondContact O-CB 3.34Å; D196-K200 WeakPolarHBondContact O-CG 3.31Å; D196-K200 PolarHBondContact O-N 3.04Å; D196-K200 WeakPolarHBondContact OD1-CE 3.37Å; D196-K200 IonicContact OD1-NZ 2.77Å; D196-K200 PolarHBondContact OD1-NZ 2.86Å; D196-K200 WeakPolarHBondContact OD2-CD 3.08Å; D196-K200 VanDerWaalsContact OD2-CE 3.27Å; D196-K200 WeakPolarHBondContact OD2-CE 3.46Å; D196-K200 IonicContact OD2-NZ 2.67Å; D196-K200 PolarHBondContact OD2-NZ 2.61Å; F198-K200 VanDerWaalsContact C-N 3.31Å; F198-K200 PolarHBondContact O-N 3.14Å; K200-L202 VanDerWaalsContact C-N 3.29Å; K200-H249 PolarHBondContact NZ-CE1 2.67Å; K200-H249 PolarHBondContact NZ-ND1 2.98Å; K200-Y253 WeakPolarHBondContact CG-OH 3.45Å
201S98.6Very high98.4Very high70 Ų7039.4 Ų39.449%0.4920%0.202SC..THydrogen-bonded Turntrans-79.5-11.2173.778.20000113.6T197 F198 I199T197-S201 PolarHBondContact O-N 3.25Å; F198-S201 WeakPolarHBondContact O-CB 3.13Å; F198-S201 PolarHBondContact O-N 3.44Å; F198-S201 PolarHBondContact O-OG 3.32Å; I199-S201 PolarHBondContact O-N 2.85Å; I199-S201 VanDerWaalsContact O-N 3.16Å
202L98.6Very high98.4Very high15 Ų1541.3 Ų41.38%0.07922%0.216CC..  trans-95.6137.4-178.1-52.5178.6000110.8A165 F198 I199 K200 V205A165-L202 HydrophobicContact CB-CD1 4.06Å; A165-L202 HydrophobicContact CB-CD2 4.42Å; F198-L202 HydrophobicContact CD1-CD1 4.43Å; F198-L202 HydrophobicContact CE1-CD1 3.95Å; F198-L202 HydrophobicContact CZ-CD2 4.35Å; I199-L202 WeakPolarHBondContact O-CB 3.11Å; I199-L202 PolarHBondContact O-N 3.29Å; K200-L202 VanDerWaalsContact C-N 3.29Å; L202-V205 HydrophobicContact CB-CG2 3.74Å; L202-V205 HydrophobicContact CD1-CG2 3.9Å; L202-V205 HydrophobicContact CG-CG2 4.46Å
203N97.4Very high98.3Very high135 Ų13541.3 Ų41.372%0.72222%0.216SC*.SBendtrans-94.6-5.7-173.7-63.1-56.2000114.3S169S169-N203 PolarHBondContact OG-N 3.11Å
204N98.1Very high98.1Very high2 Ų240 Ų401%0.01121%0.208CC..  trans-118.56-165.767.4-38.8000113.9L168 S169 K173 V175 D206L168-N204 PolarHBondContact O-ND2 2.78Å; L168-N204 VanDerWaalsContact O-ND2 3.13Å; S169-N204 WeakPolarHBondContact CA-OD1 3.4Å; S169-N204 WeakPolarHBondContact CB-OD1 3.32Å; S169-N204 PolarHBondContact N-ND2 2.85Å; K173-N204 VanDerWaalsContact O-CB 3.32Å; K173-N204 WeakPolarHBondContact O-CB 3.48Å; K173-N204 PolarHBondContact O-ND2 3.27Å; V175-N204 WeakPolarHBondContact CG2-ND2 3.48Å; V175-N204 PolarHBondContact N-O 3.5Å; V175-N204 VanDerWaalsContact N-O 3.12Å; N204-D206 PolarHBondContact O-N 2.83Å
205V98.5Very high97.7Very high16 Ų1638.8 Ų38.810%0.09721%0.211CC..EExtended strand (participates in β ladder)trans-80.5109.4-177.3-178.60000109.6I177 I199 L202 K207 V208 Y253I177-V205 HydrophobicContact CB-CG1 4.49Å; I177-V205 HydrophobicContact CD1-CG2 4.47Å; I177-V205 HydrophobicContact CG1-CG1 3.81Å; I177-V205 HydrophobicContact CG1-CG2 3.92Å; I199-V205 HydrophobicContact CG2-CB 4.37Å; I199-V205 HydrophobicContact CG2-CG1 4.04Å; I199-V205 HydrophobicContact CG2-CG2 4.13Å; L202-V205 HydrophobicContact CB-CG2 3.74Å; L202-V205 HydrophobicContact CD1-CG2 3.9Å; L202-V205 HydrophobicContact CG-CG2 4.46Å; V205-K207 WeakPolarHBondContact CG1-O 3.28Å; V205-V208 HydrophobicContact CG1-CG2 3.81Å; V205-Y253 HydrophobicContact CB-CD1 3.97Å; V205-Y253 HydrophobicContact CB-CE1 4.13Å; V205-Y253 HydrophobicContact CG1-CD1 3.6Å; V205-Y253 HydrophobicContact CG1-CE1 3.99Å; V205-Y253 HydrophobicContact CG1-CG 4.28Å
206D97.4Very high97.2Very high12 Ų1245 Ų456%0.06424%0.242CC..EExtended strand (participates in β ladder)trans-85.3-29-178.6-85.7-1.8000112.7V175 N204 Y253 K254 G255 Y256 R259V175-D206 PolarHBondContact O-N 3.45Å; N204-D206 PolarHBondContact O-N 2.83Å; D206-Y253 CarbonylContact O-C 3.59Å; D206-K254 PolarHBondContact O-N 2.82Å; D206-G255 PolarHBondContact O-N 2.88Å; D206-Y256 WeakPolarHBondContact O-CD1 3.33Å; D206-Y256 PolarHBondContact O-N 2.65Å; D206-R259 IonicContact OD1-CZ 3.32Å; D206-R259 IonicContact OD1-NE 2.88Å; D206-R259 PolarHBondContact OD1-NE 3.42Å; D206-R259 IonicContact OD1-NH2 3.18Å; D206-R259 PolarHBondContact OD1-NH2 3.26Å; D206-R259 WeakPolarHBondContact OD2-CD 3.39Å; D206-R259 VanDerWaalsContact OD2-CG 3.24Å; D206-R259 WeakPolarHBondContact OD2-CG 3.36Å; D206-R259 IonicContact OD2-CZ 2.76Å; D206-R259 IonicContact OD2-NE 2.8Å; D206-R259 PolarHBondContact OD2-NE 2.93Å; D206-R259 IonicContact OD2-NH2 2.83Å
207K98.1Very high96.7Very high48 Ų4844.5 Ų44.521%0.20924%0.24CC..EExtended strand (participates in β ladder)trans-153.2146.4-175.5-163.9-179.7-175.4-168.80110.2W176 I177 V205 E209 Y256W176-K207 CarbonylContact C-O 3.49Å; W176-K207 VanDerWaalsContact CA-O 3.32Å; W176-K207 WeakPolarHBondContact CA-O 3.17Å; W176-K207 HydrophobicContact CB-CB 4.11Å; W176-K207 HydrophobicContact CD2-CB 3.99Å; W176-K207 HydrophobicContact CD2-CD 3.88Å; W176-K207 HydrophobicContact CE3-CD 3.89Å; W176-K207 HydrophobicContact CG-CB 3.62Å; W176-K207 HydrophobicContact CG-CD 4.35Å; W176-K207 HydrophobicContact CZ3-CD 4.24Å; I177-K207 PolarHBondContact N-O 3.02Å; V205-K207 WeakPolarHBondContact CG1-O 3.28Å; K207-E209 HydrophobicContact CD-CG 3.91Å; K207-E209 VanDerWaalsContact CE-OE1 3.27Å; K207-E209 WeakPolarHBondContact CE-OE1 3.47Å; K207-E209 HydrophobicContact CG-CG 4.13Å; K207-E209 IonicContact NZ-OE1 2.72Å; K207-E209 PolarHBondContact NZ-OE1 2.84Å; K207-Y256 HydrophobicContact CB-CD1 3.76Å; K207-Y256 HydrophobicContact CB-CE1 4.34Å; K207-Y256 HydrophobicContact CB-CG 4.36Å; K207-Y256 HydrophobicContact CD-CD1 3.97Å; K207-Y256 HydrophobicContact CD-CE1 4.03Å; K207-Y256 HydrophobicContact CD-CG 4.25Å; K207-Y256 HydrophobicContact CG-CD1 3.78Å; K207-Y256 HydrophobicContact CG-CE1 3.87Å; K207-Y256 HydrophobicContact CG-CG 4.49Å
208V98.7Very high96.4Very high7 Ų742.5 Ų42.54%0.04222%0.223CC..EExtended strand (participates in β ladder)trans-121.4127.8167.1-178.20000108.5I177 I199 V205 L248 T250 Y253I177-V208 HydrophobicContact CB-CG2 4.31Å; I177-V208 CarbonylContact O-C 3.55Å; I177-V208 WeakPolarHBondContact O-CA 3.21Å; I199-V208 HydrophobicContact CD1-CG1 4.22Å; I199-V208 HydrophobicContact CD1-CG2 4.29Å; I199-V208 HydrophobicContact CG2-CG2 3.9Å; V205-V208 HydrophobicContact CG1-CG2 3.81Å; V208-L248 HydrophobicContact CG1-CD1 4.36Å; V208-T250 HydrophobicContact CB-CG2 4.07Å; V208-T250 HydrophobicContact CG1-CG2 3.88Å; V208-Y253 HydrophobicContact CB-CD2 4.03Å; V208-Y253 HydrophobicContact CB-CG 4.41Å; V208-Y253 HydrophobicContact CG2-CD1 4.02Å; V208-Y253 HydrophobicContact CG2-CD2 3.39Å; V208-Y253 HydrophobicContact CG2-CE1 4.26Å; V208-Y253 HydrophobicContact CG2-CE2 3.67Å; V208-Y253 HydrophobicContact CG2-CG 3.57Å
209E98Very high96.3Very high30 Ų3047 Ų4714%0.1424%0.241CC..EExtended strand (participates in β ladder)trans-117.9126.3-178.1-60.3-173.3142.800110.8I177 R178 H179 K207 L211I177-E209 PolarHBondContact O-N 3.05Å; R178-E209 HydrophobicContact CG-CB 4.35Å; R178-E209 IonicContact NE-OE2 2.8Å; R178-E209 PolarHBondContact NE-OE2 3.42Å; H179-E209 PolarHBondContact N-O 3.32Å; K207-E209 HydrophobicContact CD-CG 3.91Å; K207-E209 VanDerWaalsContact CE-OE1 3.27Å; K207-E209 WeakPolarHBondContact CE-OE1 3.47Å; K207-E209 HydrophobicContact CG-CG 4.13Å; K207-E209 IonicContact NZ-OE1 2.72Å; K207-E209 PolarHBondContact NZ-OE1 2.84Å; E209-L211 HydrophobicContact CB-CD2 4.35Å
210I98.3Very high96.1Very high17 Ų1748 Ų489%0.08725%0.245CC..EExtended strand (participates in β ladder)trans-88.2122.9164-66.9-56.7000108.3H179 L181 P212 V241 A244 K245 L248 T250H179-I210 HydrophobicContact CB-CD1 4.04Å; L181-I210 HydrophobicContact CB-CG2 3.92Å; L181-I210 HydrophobicContact CD2-CG2 4.06Å; I210-P212 WeakPolarHBondContact O-CD 3.27Å; I210-V241 HydrophobicContact CG2-CG1 3.97Å; I210-A244 HydrophobicContact CD1-CB 4.2Å; I210-A244 HydrophobicContact CG1-CB 4.26Å; I210-K245 HydrophobicContact CB-CG 4.37Å; I210-K245 HydrophobicContact CG1-CG 4.04Å; I210-L248 HydrophobicContact CD1-CD1 3.33Å; I210-L248 HydrophobicContact CG1-CD1 4.27Å; I210-T250 HydrophobicContact CG1-CG2 4.38Å
211L97.3Very high96Very high44 Ų4443.7 Ų43.723%0.2323%0.226CC..EExtended strand (participates in β ladder)trans-106.9103.1176.1-55.3180000108.5R178 H179 V180 L181 E209 Y213R178-L211 HydrophobicContact CB-CD1 4.03Å; H179-L211 PolarHBondContact O-N 2.92Å; V180-L211 CarbonylContact C-O 3.52Å; V180-L211 VanDerWaalsContact CA-O 3.28Å; V180-L211 WeakPolarHBondContact CA-O 3.49Å; V180-L211 HydrophobicContact CG2-CB 4.18Å; V180-L211 HydrophobicContact CG2-CD1 4.14Å; L181-L211 PolarHBondContact N-O 2.9Å; E209-L211 HydrophobicContact CB-CD2 4.35Å; L211-Y213 PolarHBondContact O-N 3.46Å
212P97.8Very high95.9Very high59 Ų5946 Ų4638%0.38323%0.229SC..EExtended strand (participates in β ladder)trans-58.3130.6175.9-23.835.3000110.4I210 P236 V241I210-P212 WeakPolarHBondContact O-CD 3.27Å; P212-P236 HydrophobicContact CB-CG 3.83Å; P212-V241 HydrophobicContact CB-CG2 4.14Å; P212-V241 HydrophobicContact CG-CG1 4.26Å; P212-V241 HydrophobicContact CG-CG2 3.75Å
213Y97.1Very high95.7Very high1 Ų152.6 Ų52.60%0.00426%0.259CS..  trans-54140.6169.1163.9-110000111F42 L181 V182 L211 T215 Y228 L230 I233 P235F42-Y213 HydrophobicContact CB-CD2 4.08Å; F42-Y213 HydrophobicContact CB-CE2 4.35Å; L181-Y213 VanDerWaalsContact O-CB 3.25Å; L181-Y213 WeakPolarHBondContact O-CB 3.29Å; L181-Y213 PolarHBondContact O-N 3.36Å; V182-Y213 HydrophobicContact CG1-CG 4.33Å; V182-Y213 HydrophobicContact CG2-CG 4.49Å; L211-Y213 PolarHBondContact O-N 3.46Å; Y213-T215 HydrophobicContact CE1-CG2 4.39Å; Y213-Y228 WeakPolarHBondContact CE2-OH 3.18Å; Y213-Y228 WeakPolarHBondContact OH-CE1 3.37Å; Y213-Y228 PolarHBondContact OH-OH 3.32Å; Y213-L230 HydrophobicContact CD2-CD1 4.28Å; Y213-L230 HydrophobicContact CE2-CD1 3.9Å; Y213-I233 HydrophobicContact CD1-CG2 4.19Å; Y213-I233 HydrophobicContact CE1-CB 4.34Å; Y213-I233 HydrophobicContact CE1-CG2 3.98Å; Y213-I233 WeakPolarHBondContact CE1-O 3.49Å; Y213-P235 WeakPolarHBondContact O-CA 3.23Å; Y213-P235 VanDerWaalsContact O-CB 3.3Å; Y213-P235 WeakPolarHBondContact O-CB 3.49Å
214H93.8Very high95.6Very high58 Ų5850.1 Ų50.127%0.26924%0.244SC..  trans-143.4157.2174.56359.9000111.8H44 M216H44-H214 AromaticContact CD2-CE1 3.77Å; H44-H214 AromaticContact CE1-CD2 3.84Å; H44-H214 AromaticContact CE1-CE1 2.83Å; H44-H214 PolarHBondContact CE1-CE1 2.66Å; H44-H214 AromaticContact CE1-ND1 3.51Å; H44-H214 AromaticContact CE1-NE2 3.04Å; H44-H214 PolarHBondContact CE1-NE2 3.27Å; H44-H214 AromaticContact CG-CE1 3.85Å; H44-H214 AromaticContact ND1-CE1 3.27Å; H44-H214 PolarHBondContact ND1-CE1 2.88Å; H44-H214 VanDerWaalsContact ND1-CE1 3.27Å; H44-H214 AromaticContact ND1-NE2 3.61Å; H44-H214 AromaticContact NE2-CE1 3.14Å; H44-H214 PolarHBondContact NE2-CE1 3.03Å; H44-H214 AromaticContact NE2-ND1 3.34Å; H44-H214 PolarHBondContact NE2-ND1 2.87Å; H44-H214 AromaticContact NE2-NE2 3.71Å; H214-M216 VanDerWaalsContact C-N 3.33Å; H214-M216 WeakPolarHBondContact CE1-CE 3.49Å; H214-M216 WeakPolarHBondContact ND1-CB 3.2Å; H214-M216 PolarHBondContact ND1-N 2.82Å; H214-M216 WeakPolarHBondContact NE2-CE 3.39Å; H214-M216 PolarHBondContact O-N 3.24Å
215T91.5Very high95.5Very high69 Ų6953.4 Ų53.442%0.42328%0.279SS..G310 helixtrans-84.60.8-173.852.60000114.5Y213 G217 K218Y213-T215 HydrophobicContact CE1-CG2 4.39Å; T215-G217 PolarHBondContact O-N 2.85Å; T215-K218 VanDerWaalsContact O-CB 3.24Å; T215-K218 WeakPolarHBondContact O-CB 3.49Å; T215-K218 PolarHBondContact O-N 3.48Å
216M88.7Confident95.4Very high130 Ų13055.9 Ų55.964%0.6429%0.291SS*.G310 helixtrans-57.1-26.5-173.8-59.5-165.6-7600114.5H214 Y219H214-M216 VanDerWaalsContact C-N 3.33Å; H214-M216 WeakPolarHBondContact CE1-CE 3.49Å; H214-M216 WeakPolarHBondContact ND1-CB 3.2Å; H214-M216 PolarHBondContact ND1-N 2.82Å; H214-M216 WeakPolarHBondContact NE2-CE 3.39Å; H214-M216 PolarHBondContact O-N 3.24Å; M216-Y219 WeakPolarHBondContact O-CD1 3.41Å; M216-Y219 WeakPolarHBondContact O-CE1 3.36Å
217G88.5Confident95.3Very high3 Ų364.1 Ų64.13%0.03133%0.326CS..G310 helixtrans-81.1-12178.400000115.2T215 Y219 K220T215-G217 PolarHBondContact O-N 2.85Å; G217-Y219 VanDerWaalsContact C-N 3.32Å; G217-Y219 PolarHBondContact O-N 2.94Å; G217-K220 PolarHBondContact O-N 3.45Å; G217-K220 VanDerWaalsContact O-N 3.15Å
218K92.8Very high95.2Very high50 Ų5062.3 Ų62.322%0.21732%0.318CS..Hα-helixtrans-59-39.4-169.6-179.9175.1164.7175.70112.8T215 K220 W221 E222 Y228 E231T215-K218 VanDerWaalsContact O-CB 3.24Å; T215-K218 WeakPolarHBondContact O-CB 3.49Å; T215-K218 PolarHBondContact O-N 3.48Å; K218-K220 PolarHBondContact O-N 3.02Å; K218-W221 WeakPolarHBondContact O-CB 3.41Å; K218-W221 PolarHBondContact O-N 2.85Å; K218-E222 WeakPolarHBondContact CE-OE1 3.46Å; K218-E222 PolarHBondContact O-N 3.12Å; K218-Y228 HydrophobicContact CB-CD1 4.38Å; K218-Y228 HydrophobicContact CB-CE1 4.36Å; K218-Y228 HydrophobicContact CD-CD1 3.92Å; K218-Y228 HydrophobicContact CD-CE1 4.32Å; K218-Y228 HydrophobicContact CG-CD1 3.88Å; K218-Y228 HydrophobicContact CG-CE1 4.32Å; K218-Y228 HydrophobicContact CG-CG 4.12Å; K218-E231 WeakPolarHBondContact CE-OE2 3.16Å; K218-E231 IonicContact NZ-OE1 3.23Å; K218-E231 PolarHBondContact NZ-OE1 3.14Å; K218-E231 IonicContact NZ-OE2 3.89Å; K218-E231 PolarHBondContact NZ-OE2 2.77Å
219Y94.9Very high95Very high120 Ų12064.6 Ų64.647%0.47133%0.333SS..Hα-helixtrans-57.9-33.4-179.676.9-89.1000112.7M216 G217 W221 E222 E223M216-Y219 WeakPolarHBondContact O-CD1 3.41Å; M216-Y219 WeakPolarHBondContact O-CE1 3.36Å; G217-Y219 VanDerWaalsContact C-N 3.32Å; G217-Y219 PolarHBondContact O-N 2.94Å; Y219-W221 VanDerWaalsContact C-N 3.32Å; Y219-W221 PolarHBondContact O-N 3.43Å; Y219-E222 WeakPolarHBondContact O-CB 3.42Å; Y219-E222 PolarHBondContact O-N 3.35Å; Y219-E223 WeakPolarHBondContact O-CG 3.35Å; Y219-E223 PolarHBondContact O-N 3.17Å
220K96.1Very high94.9Very high20 Ų2063.2 Ų63.29%0.08733%0.327CS..Hα-helixtrans-68.1-33178.4-61.9-165.2179.7-169.10112.8H44 N45 P46 D47 G217 K218 E222 M224H44-K220 WeakPolarHBondContact O-CD 3.34Å; N45-K220 PolarHBondContact OD1-NZ 3.4Å; P46-K220 HydrophobicContact CG-CB 3.8Å; D47-K220 IonicContact OD1-NZ 2.66Å; D47-K220 PolarHBondContact OD1-NZ 3.05Å; D47-K220 WeakPolarHBondContact OD2-CD 3.49Å; D47-K220 WeakPolarHBondContact OD2-CE 3.47Å; D47-K220 IonicContact OD2-NZ 3.46Å; D47-K220 PolarHBondContact OD2-NZ 3.22Å; G217-K220 PolarHBondContact O-N 3.45Å; G217-K220 VanDerWaalsContact O-N 3.15Å; K218-K220 PolarHBondContact O-N 3.02Å; K220-E222 VanDerWaalsContact C-N 3.34Å; K220-M224 WeakPolarHBondContact O-CB 3.49Å; K220-M224 WeakPolarHBondContact O-CG 3.18Å; K220-M224 PolarHBondContact O-N 3.32Å; K220-M224 VanDerWaalsContact O-N 3.13Å
221W96.6Very high94.7Very high11 Ų1168 Ų684%0.04235%0.349CS..Hα-helixtrans-65.6-43.4173.6-67.375.1000110.2C43 P46 W49 K218 Y219 M224 G225 L226 Y228 P229C43-W221 HydrophobicContact CB-CZ2 4.01Å; C43-W221 PolarHBondContact O-NE1 3.41Å; P46-W221 HydrophobicContact CB-CD2 4.35Å; P46-W221 HydrophobicContact CG-CD2 4.23Å; P46-W221 HydrophobicContact CG-CG 4.03Å; W49-W221 HydrophobicContact CH2-CE3 4.45Å; W49-W221 AromaticContact CH2-CH2 3.32Å; W49-W221 HydrophobicContact CH2-CH2 3.32Å; W49-W221 AromaticContact CH2-CZ2 3.89Å; W49-W221 HydrophobicContact CH2-CZ2 3.89Å; W49-W221 AromaticContact CH2-CZ3 3.63Å; W49-W221 HydrophobicContact CH2-CZ3 3.63Å; W49-W221 AromaticContact CZ2-CH2 3.72Å; W49-W221 HydrophobicContact CZ2-CH2 3.72Å; W49-W221 AromaticContact CZ2-CZ2 3.86Å; W49-W221 HydrophobicContact CZ2-CZ2 3.86Å; W49-W221 HydrophobicContact CZ2-CZ3 4.43Å; W49-W221 HydrophobicContact CZ3-CH2 4.47Å; W49-W221 HydrophobicContact CZ3-CZ3 4.43Å; K218-W221 WeakPolarHBondContact O-CB 3.41Å; K218-W221 PolarHBondContact O-N 2.85Å; Y219-W221 VanDerWaalsContact C-N 3.32Å; Y219-W221 PolarHBondContact O-N 3.43Å; W221-M224 CarbonylContact O-C 3.54Å; W221-M224 PolarHBondContact O-N 2.78Å; W221-G225 PolarHBondContact O-N 3.03Å; W221-L226 HydrophobicContact CB-CB 4.41Å; W221-L226 HydrophobicContact CE3-CB 3.84Å; W221-L226 HydrophobicContact CE3-CD1 4.27Å; W221-L226 PolarHBondContact O-N 3.4Å; W221-Y228 HydrophobicContact CB-CD2 4.32Å; W221-Y228 AromaticContact CD1-CD2 3.65Å; W221-Y228 AromaticContact CD1-CE2 3.96Å; W221-Y228 AromaticContact CD2-CD2 3.69Å; W221-Y228 HydrophobicContact CD2-CD2 3.69Å; W221-Y228 HydrophobicContact CD2-CE2 4.39Å; W221-Y228 AromaticContact CE2-CD2 3.72Å; W221-Y228 AromaticContact CE2-CE2 3.96Å; W221-Y228 HydrophobicContact CE3-CD2 4.32Å; W221-Y228 AromaticContact CG-CD2 3.65Å; W221-Y228 HydrophobicContact CG-CD2 3.65Å; W221-Y228 HydrophobicContact CG-CE2 4.39Å; W221-Y228 HydrophobicContact CG-CG 4.48Å; W221-Y228 HydrophobicContact CZ2-CD2 4.34Å; W221-Y228 HydrophobicContact CZ2-CE2 4.42Å; W221-Y228 AromaticContact NE1-CD2 3.71Å; W221-Y228 AromaticContact NE1-CE2 3.71Å; W221-P229 HydrophobicContact CH2-CG 3.88Å; W221-P229 VanDerWaalsContact CZ3-CD 3.47Å; W221-P229 HydrophobicContact CZ3-CG 3.87Å
222E94.9Very high94.6Very high118 Ų11869 Ų6955%0.55137%0.37SS*.Hα-helixtrans-63.1-47.3177.9-63172.5179.600111.9K218 Y219 K220 M224 G225K218-E222 WeakPolarHBondContact CE-OE1 3.46Å; K218-E222 PolarHBondContact O-N 3.12Å; Y219-E222 WeakPolarHBondContact O-CB 3.42Å; Y219-E222 PolarHBondContact O-N 3.35Å; K220-E222 VanDerWaalsContact C-N 3.34Å; E222-M224 PolarHBondContact O-N 2.72Å; E222-G225 PolarHBondContact O-N 3.37Å
223E95.2Very high94.5Very high154 Ų15467.3 Ų67.372%0.7236%0.357SS*.Hα-helixtrans-60.6-32176.5-74.9-179.4172.500112.9Y219 G225Y219-E223 WeakPolarHBondContact O-CG 3.35Å; Y219-E223 PolarHBondContact O-N 3.17Å; E223-G225 VanDerWaalsContact C-N 3.28Å
224M95.3Very high94.5Very high84 Ų8473.8 Ų73.841%0.41439%0.388SS..THydrogen-bonded Turntrans-83.3-2.2175.2-6817872.100113.4P46 D47 K220 W221 E222 L226P46-M224 VanDerWaalsContact C-SD 3.53Å; P46-M224 HydrophobicContact CB-SD 3.85Å; P46-M224 HydrophobicContact CG-SD 3.83Å; D47-M224 HydrophobicContact CB-SD 4.12Å; D47-M224 PolarHBondContact N-SD 3.41Å; D47-M224 VanDerWaalsContact N-SD 3.36Å; K220-M224 WeakPolarHBondContact O-CB 3.49Å; K220-M224 WeakPolarHBondContact O-CG 3.18Å; K220-M224 PolarHBondContact O-N 3.32Å; K220-M224 VanDerWaalsContact O-N 3.13Å; W221-M224 CarbonylContact O-C 3.54Å; W221-M224 PolarHBondContact O-N 2.78Å; E222-M224 PolarHBondContact O-N 2.72Å; M224-L226 VanDerWaalsContact C-N 3.25Å; M224-L226 HydrophobicContact CB-CD1 3.95Å; M224-L226 HydrophobicContact CB-CG 3.9Å; M224-L226 HydrophobicContact CE-CD1 4Å; M224-L226 PolarHBondContact O-N 3.03Å; M224-L226 HydrophobicContact SD-CD1 4.27Å
225G96.4Very high94.6Very high71 Ų7173.8 Ų73.873%0.73239%0.393SS*.THydrogen-bonded Turntrans67.324.5-175.500000113.7W221 E222 E223W221-G225 PolarHBondContact O-N 3.03Å; E222-G225 PolarHBondContact O-N 3.37Å; E223-G225 VanDerWaalsContact C-N 3.28Å
226L95.3Very high94.9Very high67 Ų6771.1 Ų71.135%0.35138%0.377SS..PPolyproline II helixtrans-96.5140.8-179.7-61.6175.5000110.9P46 W49 W221 M224 Y228P46-L226 HydrophobicContact CB-CD1 4.47Å; W49-L226 HydrophobicContact CZ3-CD1 3.95Å; W221-L226 HydrophobicContact CB-CB 4.41Å; W221-L226 HydrophobicContact CE3-CB 3.84Å; W221-L226 HydrophobicContact CE3-CD1 4.27Å; W221-L226 PolarHBondContact O-N 3.4Å; M224-L226 VanDerWaalsContact C-N 3.25Å; M224-L226 HydrophobicContact CB-CD1 3.95Å; M224-L226 HydrophobicContact CB-CG 3.9Å; M224-L226 HydrophobicContact CE-CD1 4Å; M224-L226 PolarHBondContact O-N 3.03Å; M224-L226 HydrophobicContact SD-CD1 4.27Å; L226-Y228 PolarHBondContact O-N 3.34Å
227K95.3Very high95.4Very high185 Ų18569.4 Ų69.480%0.80437%0.373SS*.PPolyproline II helixtrans-70.6124.4170.1-176.9178-179.9179.70109.8P229K227-P229 WeakPolarHBondContact O-CD 3.34Å
228Y96.2Very high95.8Very high10 Ų1076 Ų764%0.03941%0.408CS..PPolyproline II helixtrans-74.9120175.4-171.8-125.8000111.2Y213 K218 W221 L226 L230Y213-Y228 WeakPolarHBondContact CE2-OH 3.18Å; Y213-Y228 WeakPolarHBondContact OH-CE1 3.37Å; Y213-Y228 PolarHBondContact OH-OH 3.32Å; K218-Y228 HydrophobicContact CB-CD1 4.38Å; K218-Y228 HydrophobicContact CB-CE1 4.36Å; K218-Y228 HydrophobicContact CD-CD1 3.92Å; K218-Y228 HydrophobicContact CD-CE1 4.32Å; K218-Y228 HydrophobicContact CG-CD1 3.88Å; K218-Y228 HydrophobicContact CG-CE1 4.32Å; K218-Y228 HydrophobicContact CG-CG 4.12Å; W221-Y228 HydrophobicContact CB-CD2 4.32Å; W221-Y228 AromaticContact CD1-CD2 3.65Å; W221-Y228 AromaticContact CD1-CE2 3.96Å; W221-Y228 AromaticContact CD2-CD2 3.69Å; W221-Y228 HydrophobicContact CD2-CD2 3.69Å; W221-Y228 HydrophobicContact CD2-CE2 4.39Å; W221-Y228 AromaticContact CE2-CD2 3.72Å; W221-Y228 AromaticContact CE2-CE2 3.96Å; W221-Y228 HydrophobicContact CE3-CD2 4.32Å; W221-Y228 AromaticContact CG-CD2 3.65Å; W221-Y228 HydrophobicContact CG-CD2 3.65Å; W221-Y228 HydrophobicContact CG-CE2 4.39Å; W221-Y228 HydrophobicContact CG-CG 4.48Å; W221-Y228 HydrophobicContact CZ2-CD2 4.34Å; W221-Y228 HydrophobicContact CZ2-CE2 4.42Å; W221-Y228 AromaticContact NE1-CD2 3.71Å; W221-Y228 AromaticContact NE1-CE2 3.71Å; L226-Y228 PolarHBondContact O-N 3.34Å; Y228-L230 VanDerWaalsContact C-N 3.29Å; Y228-L230 HydrophobicContact CD1-CB 4.39Å; Y228-L230 HydrophobicContact CE1-CB 3.73Å; Y228-L230 PolarHBondContact O-N 3.26Å
229P95.7Very high96.1Very high55 Ų5580.1 Ų80.136%0.35743%0.433SS..THydrogen-bonded Turntrans-72.6-17.5-171.8-21.334.4000115.2Q41 W221 K227Q41-P229 HydrophobicContact CB-CB 3.95Å; Q41-P229 HydrophobicContact CB-CG 4.32Å; Q41-P229 HydrophobicContact CG-CB 3.88Å; Q41-P229 HydrophobicContact CG-CG 4.32Å; W221-P229 HydrophobicContact CH2-CG 3.88Å; W221-P229 VanDerWaalsContact CZ3-CD 3.47Å; W221-P229 HydrophobicContact CZ3-CG 3.87Å; K227-P229 WeakPolarHBondContact O-CD 3.34Å
230L96.2Very high96.3Very high1 Ų176.5 Ų76.51%0.00542%0.418CS..THydrogen-bonded Turntrans-105.827.9-176.8-58.2179.8000112.2Q41 F42 V182 R185 Y213 Y228 G232 I233Q41-L230 HydrophobicContact CB-CD1 4.28Å; Q41-L230 HydrophobicContact CB-CD2 3.97Å; Q41-L230 HydrophobicContact CB-CG 3.98Å; F42-L230 HydrophobicContact CB-CD1 3.61Å; V182-L230 HydrophobicContact CG1-CD1 3.8Å; V182-L230 HydrophobicContact CG1-CD2 4.32Å; R185-L230 HydrophobicContact CG-CD2 4.2Å; Y213-L230 HydrophobicContact CD2-CD1 4.28Å; Y213-L230 HydrophobicContact CE2-CD1 3.9Å; Y228-L230 VanDerWaalsContact C-N 3.29Å; Y228-L230 HydrophobicContact CD1-CB 4.39Å; Y228-L230 HydrophobicContact CE1-CB 3.73Å; Y228-L230 PolarHBondContact O-N 3.26Å; L230-G232 PolarHBondContact O-N 3.44Å; L230-I233 HydrophobicContact CB-CB 4.14Å; L230-I233 HydrophobicContact CB-CG1 4.07Å; L230-I233 HydrophobicContact CD2-CG1 4.25Å; L230-I233 WeakPolarHBondContact O-CB 3.3Å; L230-I233 PolarHBondContact O-N 2.99Å
231E93.9Very high96.4Very high118 Ų11876.2 Ų76.255%0.55142%0.418SS*.THydrogen-bonded Turntrans-55.8129.3173.7-164.760.3-143.500110.8K218 I233K218-E231 WeakPolarHBondContact CE-OE2 3.16Å; K218-E231 IonicContact NZ-OE1 3.23Å; K218-E231 PolarHBondContact NZ-OE1 3.14Å; K218-E231 IonicContact NZ-OE2 3.89Å; K218-E231 PolarHBondContact NZ-OE2 2.77Å; E231-I233 VanDerWaalsContact C-N 3.26Å; E231-I233 PolarHBondContact O-N 3.15Å
232G94.6Very high96.5Very high66 Ų6679.6 Ų79.668%0.6843%0.434SS*.THydrogen-bonded Turntrans77.22.4-17700000115.5L230L230-G232 PolarHBondContact O-N 3.44Å
233I96.4Very high96.7Very high23 Ų2376.5 Ų76.512%0.11842%0.421CS..PPolyproline II helixtrans-87.2120.3169.7-55-64.3000108.2P183 F184 Y213 L230 E231P183-I233 HydrophobicContact CB-CG2 4.05Å; P183-I233 HydrophobicContact CG-CG2 4.4Å; F184-I233 HydrophobicContact CD2-CD1 3.99Å; Y213-I233 HydrophobicContact CD1-CG2 4.19Å; Y213-I233 HydrophobicContact CE1-CB 4.34Å; Y213-I233 HydrophobicContact CE1-CG2 3.98Å; Y213-I233 WeakPolarHBondContact CE1-O 3.49Å; L230-I233 HydrophobicContact CB-CB 4.14Å; L230-I233 HydrophobicContact CB-CG1 4.07Å; L230-I233 HydrophobicContact CD2-CG1 4.25Å; L230-I233 WeakPolarHBondContact O-CB 3.3Å; L230-I233 PolarHBondContact O-N 2.99Å; E231-I233 VanDerWaalsContact C-N 3.26Å; E231-I233 PolarHBondContact O-N 3.15Å
234E95.8Very high96.8Very high137 Ų13769.1 Ų69.164%0.6439%0.387SS*.PPolyproline II helixtrans-85.6158.1173.6-66.4-57143.500111.4P183P183-E234 WeakPolarHBondContact CG-O 3.25Å
235P97.1Very high97Very high57 Ų5768.8 Ų68.837%0.3738%0.383SS..PPolyproline II helixtrans-52.5147.6167.8-27.737.3000112.7Y213Y213-P235 WeakPolarHBondContact O-CA 3.23Å; Y213-P235 VanDerWaalsContact O-CB 3.3Å; Y213-P235 WeakPolarHBondContact O-CB 3.49Å
236P97.7Very high97.1Very high14 Ų1471.8 Ų71.89%0.09138%0.376CS..PPolyproline II helixtrans-63.8147.5174.729.6-34.6000110.4L181 P183 P212 R240 V241L181-P236 HydrophobicContact CD2-CB 4.12Å; L181-P236 HydrophobicContact CD2-CG 4.19Å; P183-P236 HydrophobicContact CG-CB 3.98Å; P212-P236 HydrophobicContact CB-CG 3.83Å; P236-R240 HydrophobicContact CB-CB 4.22Å; P236-R240 HydrophobicContact CB-CG 4.1Å; P236-V241 HydrophobicContact CB-CG2 4.21Å; P236-V241 HydrophobicContact CG-CG2 3.89Å
237T98Very high97.3Very high93 Ų9370.3 Ų70.357%0.57137%0.368SS*.PPolyproline II helixtrans-67.5158.117462.80000111.4D239 R240 V241T237-D239 PolarHBondContact O-N 3.37Å; T237-R240 WeakPolarHBondContact O-CB 3.36Å; T237-R240 PolarHBondContact O-N 3.02Å; T237-R240 WeakPolarHBondContact OG1-CB 3.44Å; T237-R240 PolarHBondContact OG1-N 3.09Å; T237-V241 WeakPolarHBondContact O-CG2 3.5Å; T237-V241 PolarHBondContact O-N 3.21Å
238D98.1Very high97.4Very high142 Ų14261.5 Ų61.576%0.75933%0.33SS*.Hα-helixtrans-56.4-39.5175.6-68.8-23.6000112R240 V241 E242D238-R240 VanDerWaalsContact C-N 3.31Å; D238-R240 PolarHBondContact O-N 3.2Å; D238-V241 PolarHBondContact O-N 3.37Å; D238-E242 WeakPolarHBondContact O-CB 3.5Å; D238-E242 PolarHBondContact O-N 3Å
239D98.5Very high97.5Very high137 Ų13764.5 Ų64.573%0.73334%0.344SS*.Hα-helixtrans-61.6-37.9175.1-73.3-22000112.5T237 N243T237-D239 PolarHBondContact O-N 3.37Å; D239-N243 WeakPolarHBondContact O-CB 3.33Å; D239-N243 PolarHBondContact O-N 2.68Å
240R98.4Very high97.7Very high44 Ų4462.6 Ų62.617%0.16633%0.332CS..Hα-helixtrans-69.5-41.2176.8-176.569.5-140.5131.67.5111L181 D187 D189 P236 T237 D238 N243 A244L181-R240 HydrophobicContact CD2-CG 4.22Å; D187-R240 VanDerWaalsContact O-CZ 3.22Å; D187-R240 PolarHBondContact O-NE 3.42Å; D187-R240 PolarHBondContact O-NH2 3.03Å; D187-R240 IonicContact OD2-NE 3Å; D189-R240 IonicContact OD1-CZ 2.91Å; D189-R240 VanDerWaalsContact OD1-CZ 3.23Å; D189-R240 IonicContact OD1-NH1 3.52Å; D189-R240 PolarHBondContact OD1-NH1 3.49Å; D189-R240 IonicContact OD1-NH2 3.53Å; D189-R240 PolarHBondContact OD1-NH2 3.18Å; P236-R240 HydrophobicContact CB-CB 4.22Å; P236-R240 HydrophobicContact CB-CG 4.1Å; T237-R240 WeakPolarHBondContact O-CB 3.36Å; T237-R240 PolarHBondContact O-N 3.02Å; T237-R240 WeakPolarHBondContact OG1-CB 3.44Å; T237-R240 PolarHBondContact OG1-N 3.09Å; D238-R240 VanDerWaalsContact C-N 3.31Å; D238-R240 PolarHBondContact O-N 3.2Å; R240-N243 PolarHBondContact NH1-OD1 2.87Å; R240-N243 PolarHBondContact NH2-OD1 3.47Å; R240-N243 PolarHBondContact O-N 3.32Å; R240-A244 PolarHBondContact O-N 3.07Å
241V98.7Very high97.7Very high14 Ų1468.3 Ų68.39%0.08536%0.358CS..Hα-helixtrans-62.1-44.7174.8174.60000110.6L181 I210 P212 P236 T237 D238 A244 K245L181-V241 HydrophobicContact CD2-CG2 4.16Å; I210-V241 HydrophobicContact CG2-CG1 3.97Å; P212-V241 HydrophobicContact CB-CG2 4.14Å; P212-V241 HydrophobicContact CG-CG1 4.26Å; P212-V241 HydrophobicContact CG-CG2 3.75Å; P236-V241 HydrophobicContact CB-CG2 4.21Å; P236-V241 HydrophobicContact CG-CG2 3.89Å; T237-V241 WeakPolarHBondContact O-CG2 3.5Å; T237-V241 PolarHBondContact O-N 3.21Å; D238-V241 PolarHBondContact O-N 3.37Å; V241-A244 PolarHBondContact O-N 3.01Å; V241-K245 WeakPolarHBondContact O-CG 3.27Å; V241-K245 PolarHBondContact O-N 3.09Å
242E98.6Very high97.9Very high81 Ų8168 Ų6838%0.37936%0.361SS..Hα-helixtrans-67.5-37.6178.5-174.254.9-150.500112.2D238 K245 K246D238-E242 WeakPolarHBondContact O-CB 3.5Å; D238-E242 PolarHBondContact O-N 3Å; E242-K245 PolarHBondContact O-N 3.23Å; E242-K246 WeakPolarHBondContact O-CG 3.45Å; E242-K246 PolarHBondContact O-N 2.99Å; E242-K246 WeakPolarHBondContact OE1-CE 3.48Å
243N98.7Very high98.1Very high53 Ų5366.1 Ų66.128%0.28333%0.333SS..Hα-helixtrans-60.4-46.8170.8178.5-82.3000111.6D189 D239 R240 K245 K246 L247D189-N243 PolarHBondContact OD1-OD1 3.2Å; D239-N243 WeakPolarHBondContact O-CB 3.33Å; D239-N243 PolarHBondContact O-N 2.68Å; R240-N243 PolarHBondContact NH1-OD1 2.87Å; R240-N243 PolarHBondContact NH2-OD1 3.47Å; R240-N243 PolarHBondContact O-N 3.32Å; N243-K245 VanDerWaalsContact C-N 3.32Å; N243-K245 PolarHBondContact O-N 3.16Å; N243-K246 WeakPolarHBondContact O-CB 3.46Å; N243-K246 PolarHBondContact O-N 2.94Å; N243-K246 VanDerWaalsContact O-N 3.13Å; N243-L247 WeakPolarHBondContact O-CG 3.27Å; N243-L247 PolarHBondContact O-N 3.4Å; N243-L247 WeakPolarHBondContact OD1-CD1 3.41Å
244A98.8Very high98.1Very high0 Ų069.3 Ų69.30%035%0.346CS..Hα-helixtrans-61.5-40.3178.600000112.3L181 L192 I210 R240 V241 K246 L247 L248L181-A244 HydrophobicContact CD1-CB 3.84Å; L181-A244 HydrophobicContact CD2-CB 3.82Å; L192-A244 HydrophobicContact CD1-CB 3.78Å; I210-A244 HydrophobicContact CD1-CB 4.2Å; I210-A244 HydrophobicContact CG1-CB 4.26Å; R240-A244 PolarHBondContact O-N 3.07Å; V241-A244 PolarHBondContact O-N 3.01Å; A244-K246 VanDerWaalsContact C-N 3.34Å; A244-K246 PolarHBondContact O-N 3.14Å; A244-L247 PolarHBondContact O-N 3.43Å; A244-L248 WeakPolarHBondContact O-CB 3.23Å; A244-L248 WeakPolarHBondContact O-CG 3.06Å; A244-L248 PolarHBondContact O-N 3.09Å
245K98.8Very high98Very high76 Ų7663.9 Ų63.933%0.3333%0.327SS..Hα-helixtrans-59.4-43173.3-74.6176.4-179.2173.90112.5I210 V241 E242 N243 H249 T250I210-K245 HydrophobicContact CB-CG 4.37Å; I210-K245 HydrophobicContact CG1-CG 4.04Å; V241-K245 WeakPolarHBondContact O-CG 3.27Å; V241-K245 PolarHBondContact O-N 3.09Å; E242-K245 PolarHBondContact O-N 3.23Å; N243-K245 VanDerWaalsContact C-N 3.32Å; N243-K245 PolarHBondContact O-N 3.16Å; K245-H249 PolarHBondContact O-N 3.43Å; K245-T250 HydrophobicContact CB-CG2 4.27Å; K245-T250 WeakPolarHBondContact CB-OG1 3.41Å; K245-T250 HydrophobicContact CG-CG2 4.23Å; K245-T250 PolarHBondContact O-N 2.73Å; K245-T250 VanDerWaalsContact O-N 3.09Å
246K98.7Very high97.8Very high134 Ų13464.5 Ų64.558%0.58332%0.323SS*.Hα-helixtrans-64.1-46176.8-72.7168.5-177.8167.10111.7E242 N243 A244 L248 H249E242-K246 WeakPolarHBondContact O-CG 3.45Å; E242-K246 PolarHBondContact O-N 2.99Å; E242-K246 WeakPolarHBondContact OE1-CE 3.48Å; N243-K246 WeakPolarHBondContact O-CB 3.46Å; N243-K246 PolarHBondContact O-N 2.94Å; N243-K246 VanDerWaalsContact O-N 3.13Å; A244-K246 VanDerWaalsContact C-N 3.34Å; A244-K246 PolarHBondContact O-N 3.14Å; K246-L248 VanDerWaalsContact C-N 3.32Å; K246-L248 PolarHBondContact O-N 2.77Å; K246-H249 PolarHBondContact O-N 3.37Å
247L98.7Very high97.5Very high36 Ų3668.7 Ų68.719%0.18834%0.344CS..Hα-helixtrans-63.4-37.3179.1-69.1177.1000112.6D189 L192 I193 D196 N243 A244 H249D189-L247 HydrophobicContact CB-CD1 3.84Å; D189-L247 WeakPolarHBondContact OD1-CD1 3.47Å; L192-L247 HydrophobicContact CB-CB 4.21Å; L192-L247 HydrophobicContact CB-CD1 4.07Å; L192-L247 HydrophobicContact CD1-CD1 4Å; I193-L247 HydrophobicContact CD1-CD2 4.32Å; I193-L247 HydrophobicContact CG1-CD2 4.04Å; D196-L247 WeakPolarHBondContact CB-O 3.47Å; N243-L247 WeakPolarHBondContact O-CG 3.27Å; N243-L247 PolarHBondContact O-N 3.4Å; N243-L247 WeakPolarHBondContact OD1-CD1 3.41Å; A244-L247 PolarHBondContact O-N 3.43Å; L247-H249 PolarHBondContact O-CE1 2.7Å; L247-H249 PolarHBondContact O-ND1 3.39Å; L247-H249 VanDerWaalsContact O-ND1 3.14Å
248L98.5Very high97Very high0 Ų072.9 Ų72.90%035%0.354CS..THydrogen-bonded Turntrans-88.41.2178-67.8177.8000114.4L192 L195 D196 I199 V208 I210 A244 K246 T250L192-L248 HydrophobicContact CD2-CD1 4.18Å; L192-L248 HydrophobicContact CD2-CG 4.41Å; L192-L248 WeakPolarHBondContact O-CD2 3.45Å; L195-L248 HydrophobicContact CB-CD2 3.91Å; L195-L248 HydrophobicContact CD2-CD1 4.27Å; L195-L248 HydrophobicContact CD2-CD2 3.93Å; L195-L248 HydrophobicContact CG-CD2 3.77Å; D196-L248 HydrophobicContact CB-CD2 4.01Å; D196-L248 VanDerWaalsContact OD1-C 3.3Å; I199-L248 HydrophobicContact CD1-CD2 4.44Å; V208-L248 HydrophobicContact CG1-CD1 4.36Å; I210-L248 HydrophobicContact CD1-CD1 3.33Å; I210-L248 HydrophobicContact CG1-CD1 4.27Å; A244-L248 WeakPolarHBondContact O-CB 3.23Å; A244-L248 WeakPolarHBondContact O-CG 3.06Å; A244-L248 PolarHBondContact O-N 3.09Å; K246-L248 VanDerWaalsContact C-N 3.32Å; K246-L248 PolarHBondContact O-N 2.77Å; L248-T250 HydrophobicContact CB-CG2 4.01Å; L248-T250 PolarHBondContact O-N 2.87Å; L248-T250 VanDerWaalsContact O-N 3.16Å
249H98.6Very high96.1Very high74 Ų7470.7 Ų70.734%0.34334%0.335SS..THydrogen-bonded Turntrans48.843.8-178.2-53.277.7000112.9D196 K200 K245 K246 L247 E251 D252 Y253D196-H249 IonicContact OD1-CE1 3.64Å; D196-H249 IonicContact OD1-CG 2.73Å; D196-H249 IonicContact OD1-ND1 3.43Å; D196-H249 PolarHBondContact OD1-ND1 3.03Å; D196-H249 IonicContact OD2-CE1 3.3Å; D196-H249 IonicContact OD2-ND1 3.5Å; D196-H249 PolarHBondContact OD2-ND1 3.28Å; K200-H249 PolarHBondContact NZ-CE1 2.67Å; K200-H249 PolarHBondContact NZ-ND1 2.98Å; K245-H249 PolarHBondContact O-N 3.43Å; K246-H249 PolarHBondContact O-N 3.37Å; L247-H249 PolarHBondContact O-CE1 2.7Å; L247-H249 PolarHBondContact O-ND1 3.39Å; L247-H249 VanDerWaalsContact O-ND1 3.14Å; H249-E251 PolarHBondContact O-N 3Å; H249-D252 HydrophobicContact CB-CB 4.48Å; H249-D252 WeakPolarHBondContact CB-OD2 3.28Å; H249-D252 WeakPolarHBondContact O-CB 3.35Å; H249-D252 PolarHBondContact O-N 2.99Å; H249-Y253 WeakPolarHBondContact O-CD2 3.35Å; H249-Y253 WeakPolarHBondContact O-CE2 3.45Å
250T98.3Very high94.6Very high15 Ų1573.7 Ų73.79%0.09234%0.342CS..G310 helixtrans-57.9-27.4-170.357.60000113.2V208 I210 K245 L248 D252 Y253V208-T250 HydrophobicContact CB-CG2 4.07Å; V208-T250 HydrophobicContact CG1-CG2 3.88Å; I210-T250 HydrophobicContact CG1-CG2 4.38Å; K245-T250 HydrophobicContact CB-CG2 4.27Å; K245-T250 WeakPolarHBondContact CB-OG1 3.41Å; K245-T250 HydrophobicContact CG-CG2 4.23Å; K245-T250 PolarHBondContact O-N 2.73Å; K245-T250 VanDerWaalsContact O-N 3.09Å; L248-T250 HydrophobicContact CB-CG2 4.01Å; L248-T250 PolarHBondContact O-N 2.87Å; L248-T250 VanDerWaalsContact O-N 3.16Å; T250-D252 VanDerWaalsContact C-N 3.26Å; T250-D252 PolarHBondContact O-N 2.99Å; T250-Y253 PolarHBondContact O-N 3.29Å
251E97.4Very high92.7Very high120 Ų12077.5 Ų77.556%0.56137%0.365SS*.G310 helixtrans-69.9-15.3178.3-72.7-58.8136.500114.9H249 Y253 K254H249-E251 PolarHBondContact O-N 3Å; E251-Y253 VanDerWaalsContact C-N 3.34Å; E251-K254 VanDerWaalsContact O-CD 3.28Å; E251-K254 WeakPolarHBondContact O-CD 3.48Å; E251-K254 WeakPolarHBondContact O-CE 3.42Å; E251-K254 PolarHBondContact O-NZ 2.98Å; E251-K254 VanDerWaalsContact OE2-CE 3.23Å; E251-K254 WeakPolarHBondContact OE2-CE 3.2Å; E251-K254 IonicContact OE2-NZ 3.6Å; E251-K254 PolarHBondContact OE2-NZ 3.41Å
252D97.8Very high92.4Very high112 Ų11280.7 Ų80.760%0.59938%0.379SS*.G310 helixtrans-77.9-25.4177-67-10.2000111.1H249 T250 K254H249-D252 HydrophobicContact CB-CB 4.48Å; H249-D252 WeakPolarHBondContact CB-OD2 3.28Å; H249-D252 WeakPolarHBondContact O-CB 3.35Å; H249-D252 PolarHBondContact O-N 2.99Å; T250-D252 VanDerWaalsContact C-N 3.26Å; T250-D252 PolarHBondContact O-N 2.99Å; D252-K254 PolarHBondContact O-N 3.25Å; D252-K254 VanDerWaalsContact O-N 3.12Å
253Y97.8Very high92Very high27 Ų2780.6 Ų80.611%0.10638%0.379CS..  trans-89.881.6-175.7-56.2-87.3000111.1I199 K200 V205 D206 V208 H249 T250 E251 Y256I199-Y253 HydrophobicContact CG2-CE1 3.69Å; I199-Y253 HydrophobicContact CG2-CE2 4.36Å; I199-Y253 WeakPolarHBondContact CG2-OH 3.4Å; K200-Y253 WeakPolarHBondContact CG-OH 3.45Å; V205-Y253 HydrophobicContact CB-CD1 3.97Å; V205-Y253 HydrophobicContact CB-CE1 4.13Å; V205-Y253 HydrophobicContact CG1-CD1 3.6Å; V205-Y253 HydrophobicContact CG1-CE1 3.99Å; V205-Y253 HydrophobicContact CG1-CG 4.28Å; D206-Y253 CarbonylContact O-C 3.59Å; V208-Y253 HydrophobicContact CB-CD2 4.03Å; V208-Y253 HydrophobicContact CB-CG 4.41Å; V208-Y253 HydrophobicContact CG2-CD1 4.02Å; V208-Y253 HydrophobicContact CG2-CD2 3.39Å; V208-Y253 HydrophobicContact CG2-CE1 4.26Å; V208-Y253 HydrophobicContact CG2-CE2 3.67Å; V208-Y253 HydrophobicContact CG2-CG 3.57Å; H249-Y253 WeakPolarHBondContact O-CD2 3.35Å; H249-Y253 WeakPolarHBondContact O-CE2 3.45Å; T250-Y253 PolarHBondContact O-N 3.29Å; E251-Y253 VanDerWaalsContact C-N 3.34Å; Y253-Y256 WeakPolarHBondContact O-CE1 3.48Å
254K96.2Very high91.7Very high89 Ų8982.2 Ų82.239%0.38739%0.385SS..  trans-11416.7-178.6-73.8171.7173.9143.70113.8D206 E251 D252 Y256 L257D206-K254 PolarHBondContact O-N 2.82Å; E251-K254 VanDerWaalsContact O-CD 3.28Å; E251-K254 WeakPolarHBondContact O-CD 3.48Å; E251-K254 WeakPolarHBondContact O-CE 3.42Å; E251-K254 PolarHBondContact O-NZ 2.98Å; E251-K254 VanDerWaalsContact OE2-CE 3.23Å; E251-K254 WeakPolarHBondContact OE2-CE 3.2Å; E251-K254 IonicContact OE2-NZ 3.6Å; E251-K254 PolarHBondContact OE2-NZ 3.41Å; D252-K254 PolarHBondContact O-N 3.25Å; D252-K254 VanDerWaalsContact O-N 3.12Å; K254-Y256 PolarHBondContact O-N 3.04Å; K254-L257 HydrophobicContact CB-CD1 4.2Å; K254-L257 HydrophobicContact CG-CD1 4.31Å; K254-L257 WeakPolarHBondContact O-CB 3.34Å; K254-L257 PolarHBondContact O-N 3.39Å; K254-L257 VanDerWaalsContact O-N 3.17Å
255G94.2Very high91.3Very high24 Ų2487 Ų8725%0.24741%0.407CS..Hα-helixtrans-57-35178.700000112.7D206 L257 K258 R259D206-G255 PolarHBondContact O-N 2.88Å; G255-L257 PolarHBondContact O-N 2.85Å; G255-L257 VanDerWaalsContact O-N 3.11Å; G255-K258 PolarHBondContact O-N 3.3Å; G255-R259 PolarHBondContact O-N 3.13Å
256Y93.6Very high90.8Very high69 Ų6987.7 Ų87.727%0.27141%0.412SS..Hα-helixtrans-60.7-23.1179.774.4-86.1000114.4K78 W176 D206 K207 Y253 K254K78-Y256 PolarHBondContact NZ-O 3.01Å; W176-Y256 HydrophobicContact CZ2-CD2 4.41Å; W176-Y256 HydrophobicContact CZ2-CG 4.31Å; D206-Y256 WeakPolarHBondContact O-CD1 3.33Å; D206-Y256 PolarHBondContact O-N 2.65Å; K207-Y256 HydrophobicContact CB-CD1 3.76Å; K207-Y256 HydrophobicContact CB-CE1 4.34Å; K207-Y256 HydrophobicContact CB-CG 4.36Å; K207-Y256 HydrophobicContact CD-CD1 3.97Å; K207-Y256 HydrophobicContact CD-CE1 4.03Å; K207-Y256 HydrophobicContact CD-CG 4.25Å; K207-Y256 HydrophobicContact CG-CD1 3.78Å; K207-Y256 HydrophobicContact CG-CE1 3.87Å; K207-Y256 HydrophobicContact CG-CG 4.49Å; Y253-Y256 WeakPolarHBondContact O-CE1 3.48Å; K254-Y256 PolarHBondContact O-N 3.04Å
257L91.9Very high90.3Very high103 Ų10384.6 Ų84.654%0.53940%0.401SS..Hα-helixtrans-74.3-29.3176.3-64.1177.7000112.1K254 G255K254-L257 HydrophobicContact CB-CD1 4.2Å; K254-L257 HydrophobicContact CG-CD1 4.31Å; K254-L257 WeakPolarHBondContact O-CB 3.34Å; K254-L257 PolarHBondContact O-N 3.39Å; K254-L257 VanDerWaalsContact O-N 3.17Å; G255-L257 PolarHBondContact O-N 2.85Å; G255-L257 VanDerWaalsContact O-N 3.11Å
258K87.9Confident89.7Confident181 Ų18188.1 Ų88.179%0.78742%0.416SS*.Hα-helixtrans-93.1-20.4-174.6-62.5178.3-177.2174.20113.4G255 K260G255-K258 PolarHBondContact O-N 3.3Å; K258-K260 PolarHBondContact O-N 3.4Å
259R79Confident89Confident96 Ų9694.8 Ų94.836%0.36245%0.448SS..  trans-61.7117.2178-66.6-94.6-177.8-161.8-0.6110.2P174 D206 G255P174-R259 VanDerWaalsContact CG-NH1 3.3Å; D206-R259 IonicContact OD1-CZ 3.32Å; D206-R259 IonicContact OD1-NE 2.88Å; D206-R259 PolarHBondContact OD1-NE 3.42Å; D206-R259 IonicContact OD1-NH2 3.18Å; D206-R259 PolarHBondContact OD1-NH2 3.26Å; D206-R259 WeakPolarHBondContact OD2-CD 3.39Å; D206-R259 VanDerWaalsContact OD2-CG 3.24Å; D206-R259 WeakPolarHBondContact OD2-CG 3.36Å; D206-R259 IonicContact OD2-CZ 2.76Å; D206-R259 IonicContact OD2-NE 2.8Å; D206-R259 PolarHBondContact OD2-NE 2.93Å; D206-R259 IonicContact OD2-NH2 2.83Å; G255-R259 PolarHBondContact O-N 3.13Å
260K66.8Low88.2Confident200 Ų20096.6 Ų96.687%0.8746%0.457SS*.  trans-83139.9162.9-64.6-177.1-179.21790107.3K258K258-K260 PolarHBondContact O-N 3.4Å
261N57.3Low87.3Confident123 Ų123104 Ų10466%0.65849%0.49SS*.  trans-63.10178.7-53.8-44.8000112.2K77K77-N261 PolarHBondContact O-ND2 2.88Å

Retrieved 261 of 261 residues in 112.7 ms (Link to these results)

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