A0A3B3UIM3_9TELE Loading...

Crystallin, gamma N2

Crystallins are the dominant structural components of the vertebrate eye lens.

AlphaFold DB , UniProt , Accession A0A3B3UIM3, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 183 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
1M38.9Very low75.1Confident241 Ų24166.8 Ų66.8100%1.18733%0.334SS*.  097.20-70.1177.9-97.600106.2Q3M1-Q3 PolarHBondContact O-N 3.17Å; M1-Q3 VanDerWaalsContact O-N 3.13Å
2S41.6Very low77Confident85 Ų8565.2 Ų65.259%0.59433%0.325SS*.  trans-64.5114.5-176.949.50000108.8Y4S2-Y4 VanDerWaalsContact C-N 3.31Å; S2-Y4 WeakPolarHBondContact O-CD2 3.34Å; S2-Y4 PolarHBondContact O-N 2.97Å; S2-Y4 VanDerWaalsContact OG-CE2 3.25Å; S2-Y4 WeakPolarHBondContact OG-CE2 3.41Å
3Q47.2Very low78.6Confident183 Ų18361.5 Ų61.586%0.85531%0.313SS*.  trans-68.791.6173.9-172.3174.926.100107M1 S5M1-Q3 PolarHBondContact O-N 3.17Å; M1-Q3 VanDerWaalsContact O-N 3.13Å; Q3-S5 PolarHBondContact O-N 2.62Å
4Y56.7Low80Confident140 Ų14066 Ų6655%0.54932%0.324SS..  trans-66.982.1169.6-70.5-78.4000107.9S2 G6 F183S2-Y4 VanDerWaalsContact C-N 3.31Å; S2-Y4 WeakPolarHBondContact O-CD2 3.34Å; S2-Y4 PolarHBondContact O-N 2.97Å; S2-Y4 VanDerWaalsContact OG-CE2 3.25Å; S2-Y4 WeakPolarHBondContact OG-CE2 3.41Å; Y4-G6 PolarHBondContact O-N 3.23Å; Y4-F183 HydrophobicContact CD1-CB 3.89Å; Y4-F183 HydrophobicContact CD1-CD1 4.29Å; Y4-F183 HydrophobicContact CD1-CG 4.31Å; Y4-F183 HydrophobicContact CE1-CB 4.37Å; Y4-F183 HydrophobicContact CG-CD1 4.28Å
5S68.1Low81.2Confident39 Ų3967.1 Ų67.127%0.27334%0.34SS..  trans-7798.4176.3162.10000107.1Q3 S46Q3-S5 PolarHBondContact O-N 2.62Å; S5-S46 PolarHBondContact O-OG 3.14Å
6G84.6Confident82.3Confident3 Ų365.1 Ų65.13%0.03133%0.328CS..  trans-51.1154.5159.700000109.9Y4 R24 S46 W49Y4-G6 PolarHBondContact O-N 3.23Å; G6-R24 WeakPolarHBondContact O-CA 3.42Å; G6-S46 WeakPolarHBondContact CA-O 3.37Å; G6-S46 WeakPolarHBondContact CA-OG 3.35Å; G6-W49 VanDerWaalsContact C-CZ2 3.45Å
7K95.3Very high83.2Confident24 Ų2465.8 Ų65.810%0.10434%0.337CS..EExtended strand (participates in β ladder)trans-136.8129.1170.3175.7172.9159.3-162.20111E22 R24 E45 S46K7-E22 HydrophobicContact CD-CG 4.18Å; K7-E22 WeakPolarHBondContact CE-OE2 3.04Å; K7-E22 HydrophobicContact CG-CG 4.28Å; K7-E22 IonicContact NZ-OE1 3.64Å; K7-E22 IonicContact NZ-OE2 2.88Å; K7-E22 PolarHBondContact NZ-OE2 3.16Å; K7-R24 HydrophobicContact CB-CG 4.5Å; K7-E45 HydrophobicContact CB-CB 4.27Å; K7-E45 WeakPolarHBondContact CD-OE2 3.41Å; K7-E45 WeakPolarHBondContact CE-OE1 3.09Å; K7-E45 WeakPolarHBondContact CE-OE2 3.47Å; K7-E45 HydrophobicContact CG-CB 4.33Å; K7-E45 IonicContact NZ-OE1 2.87Å; K7-E45 PolarHBondContact NZ-OE1 2.94Å; K7-E45 IonicContact NZ-OE2 3.28Å; K7-E45 PolarHBondContact NZ-OE2 3.12Å; K7-E45 PolarHBondContact O-N 2.9Å; K7-S46 PolarHBondContact N-O 3.19Å; K7-S46 PolarHBondContact N-OG 3.34Å; K7-S46 PolarHBondContact O-N 3.5Å
8I98.1Very high84Confident0 Ų065.8 Ų65.80%036%0.356CS..EExtended strand (participates in β ladder)trans-128142.5173.2-171.3164.8000109.7F10 V23 I42 R43 V44 W49 L64I8-F10 HydrophobicContact CB-CE2 4.47Å; I8-F10 HydrophobicContact CB-CZ 4.44Å; I8-F10 HydrophobicContact CD1-CE1 3.7Å; I8-F10 HydrophobicContact CD1-CE2 4.3Å; I8-F10 HydrophobicContact CD1-CZ 3.48Å; I8-F10 VanDerWaalsContact CD1-CZ 3.48Å; I8-F10 HydrophobicContact CG1-CE1 4.07Å; I8-F10 HydrophobicContact CG1-CE2 4.09Å; I8-F10 HydrophobicContact CG1-CZ 3.75Å; I8-F10 HydrophobicContact CG2-CE2 3.64Å; I8-F10 HydrophobicContact CG2-CZ 3.81Å; I8-V23 HydrophobicContact CG2-CB 3.8Å; I8-V23 HydrophobicContact CG2-CG1 4.47Å; I8-V23 PolarHBondContact N-O 3.35Å; I8-V23 PolarHBondContact O-N 3.3Å; I8-I42 HydrophobicContact CD1-CG2 3.75Å; I8-I42 HydrophobicContact CG1-CG2 3.69Å; I8-R43 CarbonylContact C-O 3.6Å; I8-R43 WeakPolarHBondContact CA-O 3.42Å; I8-V44 HydrophobicContact CD1-CG2 3.91Å; I8-V44 HydrophobicContact CG1-CG2 4.07Å; I8-W49 HydrophobicContact CB-CD2 3.82Å; I8-W49 HydrophobicContact CB-CE3 4.34Å; I8-W49 HydrophobicContact CB-CG 4.09Å; I8-W49 HydrophobicContact CB-CZ2 4.03Å; I8-W49 HydrophobicContact CD1-CB 3.86Å; I8-W49 HydrophobicContact CD1-CD2 4.22Å; I8-W49 HydrophobicContact CD1-CG 3.82Å; I8-W49 HydrophobicContact CG2-CD2 3.55Å; I8-W49 HydrophobicContact CG2-CE3 3.55Å; I8-W49 HydrophobicContact CG2-CG 4.25Å; I8-W49 HydrophobicContact CG2-CH2 3.64Å; I8-W49 HydrophobicContact CG2-CZ2 3.64Å; I8-W49 HydrophobicContact CG2-CZ3 3.6Å; I8-L64 HydrophobicContact CD1-CB 4.39Å
9T98.6Very high84.7Confident1 Ų169.5 Ų69.51%0.00636%0.364CS..EExtended strand (participates in β ladder)trans-126.5124.6175.6-53.10000109.9Y11 K20 L21 I42 R43T9-Y11 HydrophobicContact CG2-CD2 4.22Å; T9-Y11 HydrophobicContact CG2-CE1 4.27Å; T9-Y11 HydrophobicContact CG2-CE2 3.53Å; T9-K20 HydrophobicContact CG2-CB 4.01Å; T9-K20 HydrophobicContact CG2-CD 4.08Å; T9-K20 HydrophobicContact CG2-CG 4.41Å; T9-L21 CarbonylContact C-O 3.54Å; T9-L21 WeakPolarHBondContact CA-O 3.35Å; T9-I42 CarbonylContact O-C 3.51Å; T9-I42 WeakPolarHBondContact O-CA 3.49Å; T9-R43 PolarHBondContact N-O 3.41Å; T9-R43 PolarHBondContact O-N 2.85Å
10F98.6Very high85.4Confident0 Ų072.3 Ų72.30%037%0.373CS..EExtended strand (participates in β ladder)trans-100.3144.3175.9-52.9-85.4000110.2I8 K20 L21 V23 F30 F35 V39 I42 M82 C85I8-F10 HydrophobicContact CB-CE2 4.47Å; I8-F10 HydrophobicContact CB-CZ 4.44Å; I8-F10 HydrophobicContact CD1-CE1 3.7Å; I8-F10 HydrophobicContact CD1-CE2 4.3Å; I8-F10 HydrophobicContact CD1-CZ 3.48Å; I8-F10 VanDerWaalsContact CD1-CZ 3.48Å; I8-F10 HydrophobicContact CG1-CE1 4.07Å; I8-F10 HydrophobicContact CG1-CE2 4.09Å; I8-F10 HydrophobicContact CG1-CZ 3.75Å; I8-F10 HydrophobicContact CG2-CE2 3.64Å; I8-F10 HydrophobicContact CG2-CZ 3.81Å; F10-K20 CarbonylContact O-C 3.58Å; F10-K20 WeakPolarHBondContact O-CA 3.44Å; F10-K20 WeakPolarHBondContact O-CB 3.34Å; F10-L21 HydrophobicContact CB-CB 4.46Å; F10-L21 HydrophobicContact CD2-CB 4.5Å; F10-L21 HydrophobicContact CD2-CD2 4.36Å; F10-L21 HydrophobicContact CD2-CG 4.41Å; F10-L21 PolarHBondContact N-O 2.9Å; F10-L21 PolarHBondContact O-N 3.12Å; F10-V23 HydrophobicContact CD2-CG2 4.22Å; F10-V23 HydrophobicContact CE2-CB 4.34Å; F10-V23 HydrophobicContact CE2-CG2 3.86Å; F10-F30 HydrophobicContact CD1-CE2 4.31Å; F10-F30 HydrophobicContact CD1-CZ 4.38Å; F10-F30 HydrophobicContact CD2-CE2 4.39Å; F10-F30 HydrophobicContact CD2-CZ 4.11Å; F10-F30 HydrophobicContact CE1-CE2 4.37Å; F10-F30 HydrophobicContact CE1-CZ 4.05Å; F10-F30 HydrophobicContact CE2-CE1 4.21Å; F10-F30 HydrophobicContact CE2-CE2 4.42Å; F10-F30 AromaticContact CE2-CZ 3.73Å; F10-F30 HydrophobicContact CE2-CZ 3.73Å; F10-F30 HydrophobicContact CG-CE2 4.34Å; F10-F30 HydrophobicContact CG-CZ 4.42Å; F10-F30 HydrophobicContact CZ-CE1 4.48Å; F10-F30 HydrophobicContact CZ-CE2 4.41Å; F10-F30 AromaticContact CZ-CZ 3.7Å; F10-F30 HydrophobicContact CZ-CZ 3.7Å; F10-F35 HydrophobicContact CB-CE1 4.44Å; F10-F35 HydrophobicContact CB-CZ 4.24Å; F10-V39 HydrophobicContact CB-CG1 4.22Å; F10-V39 HydrophobicContact CB-CG2 4Å; F10-V39 HydrophobicContact CD1-CG1 3.92Å; F10-V39 HydrophobicContact CD1-CG2 4.15Å; F10-V39 HydrophobicContact CG-CG2 4.38Å; F10-I42 HydrophobicContact CD1-CD1 3.87Å; F10-I42 HydrophobicContact CD1-CG1 3.82Å; F10-I42 HydrophobicContact CD1-CG2 4.4Å; F10-I42 HydrophobicContact CE1-CD1 3.95Å; F10-I42 HydrophobicContact CE1-CG1 4.32Å; F10-I42 HydrophobicContact CE1-CG2 4.43Å; F10-M82 HydrophobicContact CD1-SD 3.76Å; F10-M82 HydrophobicContact CE1-SD 3.39Å; F10-M82 WeakPolarHBondContact CE1-SD 3.46Å; F10-M82 HydrophobicContact CZ-SD 4.33Å; F10-C85 HydrophobicContact CZ-CB 3.86Å
11Y98.6Very high86Confident19 Ų1969.3 Ų69.38%0.07536%0.358CS..EExtended strand (participates in β ladder)trans-129.2137.4-178.7-63-97.2000111.2T9 G13 F16 R19 K20 N40 S41 R43T9-Y11 HydrophobicContact CG2-CD2 4.22Å; T9-Y11 HydrophobicContact CG2-CE1 4.27Å; T9-Y11 HydrophobicContact CG2-CE2 3.53Å; Y11-G13 VanDerWaalsContact C-N 3.31Å; Y11-G13 PolarHBondContact O-N 3.36Å; Y11-F16 VanDerWaalsContact CD1-C 3.43Å; Y11-F16 HydrophobicContact CD1-CB 4.18Å; Y11-F16 WeakPolarHBondContact CD1-O 3.26Å; Y11-F16 HydrophobicContact CD2-CB 4.19Å; Y11-F16 HydrophobicContact CD2-CD1 4Å; Y11-F16 HydrophobicContact CE1-CB 3.97Å; Y11-F16 WeakPolarHBondContact CE1-O 3.42Å; Y11-F16 HydrophobicContact CE2-CB 4.01Å; Y11-F16 AromaticContact CE2-CD1 3.96Å; Y11-F16 HydrophobicContact CE2-CD1 3.96Å; Y11-F16 HydrophobicContact CE2-CG 4.42Å; Y11-F16 HydrophobicContact CG-CB 4.28Å; Y11-R19 WeakPolarHBondContact CA-O 3.17Å; Y11-K20 HydrophobicContact CD1-CB 3.76Å; Y11-K20 HydrophobicContact CE1-CB 3.87Å; Y11-K20 HydrophobicContact CE1-CD 4.08Å; Y11-K20 HydrophobicContact CG-CB 4.38Å; Y11-N40 PolarHBondContact O-N 3.36Å; Y11-S41 WeakPolarHBondContact CB-OG 3.39Å; Y11-S41 PolarHBondContact N-O 3.38Å; Y11-S41 PolarHBondContact O-N 2.91Å; Y11-R43 HydrophobicContact CE2-CB 4.31Å; Y11-R43 HydrophobicContact CE2-CG 4.05Å; Y11-R43 PolarHBondContact OH-NH1 3.47Å
12E97.9Very high88.8Confident47 Ų4761 Ų6122%0.2232%0.316CS..SBendtrans-68.2-29.8177-75-175164.700112.9R19 F35 R38 N40E12-R19 HydrophobicContact CG-CB 4.04Å; E12-R19 PolarHBondContact N-O 2.94Å; E12-R19 WeakPolarHBondContact OE2-CB 3.29Å; E12-F35 HydrophobicContact CG-CE2 3.7Å; E12-F35 HydrophobicContact CG-CZ 3.7Å; E12-R38 WeakPolarHBondContact CA-O 3.49Å; E12-N40 WeakPolarHBondContact O-CB 3.44Å; E12-N40 PolarHBondContact O-ND2 2.83Å
13G97.8Very high91.5Very high17 Ų1757.1 Ų57.118%0.17529%0.289CS..SBendtrans-97.4165.7177.400000113.1Y11 T17 N40 S41Y11-G13 VanDerWaalsContact C-N 3.31Å; Y11-G13 PolarHBondContact O-N 3.36Å; G13-T17 VanDerWaalsContact CA-O 3.32Å; G13-T17 WeakPolarHBondContact CA-O 3.49Å; G13-T17 PolarHBondContact N-O 3.25Å; G13-N40 VanDerWaalsContact C-CB 3.45Å; G13-N40 CarbonylContact O-C 3.55Å; G13-N40 WeakPolarHBondContact O-CB 3.41Å; G13-S41 PolarHBondContact O-N 2.82Å; G13-S41 PolarHBondContact O-OG 3.24Å
14R98.1Very high93.8Very high125 Ų12555.1 Ų55.147%0.47227%0.273SS..G310 helixtrans-72.2161.4169.5-64.5-175-174.4-167.83.6110.3F16 T17 N40 E71R14-F16 PolarHBondContact O-N 3.4Å; R14-F16 VanDerWaalsContact O-N 3.13Å; R14-T17 PolarHBondContact O-N 2.79Å; R14-T17 PolarHBondContact O-OG1 2.93Å; R14-N40 HydrophobicContact CG-CB 4.03Å; R14-E71 IonicContact NH1-OE2 3.27Å
15C98.2Very high95.6Very high83 Ų8349.6 Ų49.656%0.56126%0.259SS*.G310 helixtrans50.539176.8-550000113.5P70C15-P70 PolarHBondContact N-O 2.77Å
16F98.3Very high96.9Very high35 Ų3551.6 Ų51.615%0.15427%0.267CS..G310 helixtrans66.237.4172.7-34.7-63.1000114.5Y11 R14 S41 I42 R43 E68 P70Y11-F16 VanDerWaalsContact CD1-C 3.43Å; Y11-F16 HydrophobicContact CD1-CB 4.18Å; Y11-F16 WeakPolarHBondContact CD1-O 3.26Å; Y11-F16 HydrophobicContact CD2-CB 4.19Å; Y11-F16 HydrophobicContact CD2-CD1 4Å; Y11-F16 HydrophobicContact CE1-CB 3.97Å; Y11-F16 WeakPolarHBondContact CE1-O 3.42Å; Y11-F16 HydrophobicContact CE2-CB 4.01Å; Y11-F16 AromaticContact CE2-CD1 3.96Å; Y11-F16 HydrophobicContact CE2-CD1 3.96Å; Y11-F16 HydrophobicContact CE2-CG 4.42Å; Y11-F16 HydrophobicContact CG-CB 4.28Å; R14-F16 PolarHBondContact O-N 3.4Å; R14-F16 VanDerWaalsContact O-N 3.13Å; F16-S41 WeakPolarHBondContact CA-OG 3.4Å; F16-S41 PolarHBondContact N-OG 3.29Å; F16-I42 WeakPolarHBondContact CE1-O 3.33Å; F16-R43 HydrophobicContact CD1-CG 3.55Å; F16-R43 VanDerWaalsContact CD2-CZ 3.5Å; F16-R43 HydrophobicContact CE1-CG 3.62Å; F16-R43 HydrophobicContact CG-CG 4.17Å; F16-R43 HydrophobicContact CZ-CG 4.29Å; F16-E68 HydrophobicContact CE1-CB 4.46Å; F16-E68 HydrophobicContact CE2-CB 4.42Å; F16-E68 HydrophobicContact CZ-CB 3.75Å; F16-E68 HydrophobicContact CZ-CG 4.27Å; F16-P70 HydrophobicContact CE2-CB 4.39Å; F16-P70 HydrophobicContact CZ-CB 4.01Å
17T98.2Very high97.6Very high77 Ų7751.7 Ų51.747%0.47227%0.267SS..  trans-109.4165.4-178.861.30000112.7G13 R14G13-T17 VanDerWaalsContact CA-O 3.32Å; G13-T17 WeakPolarHBondContact CA-O 3.49Å; G13-T17 PolarHBondContact N-O 3.25Å; R14-T17 PolarHBondContact O-N 2.79Å; R14-T17 PolarHBondContact O-OG1 2.93Å
18G97.3Very high97.7Very high66 Ų6654.4 Ų54.468%0.6828%0.282SS*.SBendtrans80.5-161.8177.100000114
19R97.8Very high97.7Very high135 Ų13555.6 Ų55.651%0.50929%0.289SS..SBendtrans-62.7145.8175.2-175.6-176.8-65.8-173.54.7109.4Y11 E12 G34 F35Y11-R19 WeakPolarHBondContact CA-O 3.17Å; E12-R19 HydrophobicContact CG-CB 4.04Å; E12-R19 PolarHBondContact N-O 2.94Å; E12-R19 WeakPolarHBondContact OE2-CB 3.29Å; R19-G34 PolarHBondContact NH1-O 3.35Å; R19-F35 HydrophobicContact CG-CD2 4.34Å
20K98.1Very high97.7Very high125 Ų12555.6 Ų55.654%0.54329%0.289SS..EExtended strand (participates in β ladder)trans-127.3153.2177.871.7179.9-175.5172.40112.6T9 F10 Y11T9-K20 HydrophobicContact CG2-CB 4.01Å; T9-K20 HydrophobicContact CG2-CD 4.08Å; T9-K20 HydrophobicContact CG2-CG 4.41Å; F10-K20 CarbonylContact O-C 3.58Å; F10-K20 WeakPolarHBondContact O-CA 3.44Å; F10-K20 WeakPolarHBondContact O-CB 3.34Å; Y11-K20 HydrophobicContact CD1-CB 3.76Å; Y11-K20 HydrophobicContact CE1-CB 3.87Å; Y11-K20 HydrophobicContact CE1-CD 4.08Å; Y11-K20 HydrophobicContact CG-CB 4.38Å
21L98.4Very high97.6Very high11 Ų1160.6 Ų60.66%0.05831%0.312CS..EExtended strand (participates in β ladder)trans-121.9119.7170172.863.4000108.7T9 F10 V23 F30 R33 F35T9-L21 CarbonylContact C-O 3.54Å; T9-L21 WeakPolarHBondContact CA-O 3.35Å; F10-L21 HydrophobicContact CB-CB 4.46Å; F10-L21 HydrophobicContact CD2-CB 4.5Å; F10-L21 HydrophobicContact CD2-CD2 4.36Å; F10-L21 HydrophobicContact CD2-CG 4.41Å; F10-L21 PolarHBondContact N-O 2.9Å; F10-L21 PolarHBondContact O-N 3.12Å; L21-V23 HydrophobicContact CD1-CG2 4.36Å; L21-V23 HydrophobicContact CD2-CG2 4.12Å; L21-V23 HydrophobicContact CG-CG2 3.86Å; L21-F30 HydrophobicContact CD2-CB 4.03Å; L21-F30 HydrophobicContact CD2-CD1 3.76Å; L21-F30 HydrophobicContact CD2-CD2 4.29Å; L21-F30 HydrophobicContact CD2-CE1 4.29Å; L21-F30 HydrophobicContact CD2-CG 3.76Å; L21-R33 HydrophobicContact CD1-CB 3.63Å; L21-R33 HydrophobicContact CD1-CG 4.27Å; L21-R33 HydrophobicContact CD2-CB 4.45Å; L21-F35 HydrophobicContact CB-CB 4.11Å; L21-F35 HydrophobicContact CB-CD1 4.41Å; L21-F35 HydrophobicContact CB-CD2 3.56Å; L21-F35 HydrophobicContact CB-CE2 4.04Å; L21-F35 HydrophobicContact CB-CG 3.77Å; L21-F35 HydrophobicContact CD2-CB 3.92Å; L21-F35 HydrophobicContact CD2-CD1 4.34Å; L21-F35 HydrophobicContact CD2-CG 4.09Å; L21-F35 HydrophobicContact CG-CB 4.46Å
22E98.2Very high97.6Very high66 Ų6665.5 Ų65.531%0.30834%0.34SS..EExtended strand (participates in β ladder)trans-96.9131.8172.7-179.6175.8136.900110K7 R24K7-E22 HydrophobicContact CD-CG 4.18Å; K7-E22 WeakPolarHBondContact CE-OE2 3.04Å; K7-E22 HydrophobicContact CG-CG 4.28Å; K7-E22 IonicContact NZ-OE1 3.64Å; K7-E22 IonicContact NZ-OE2 2.88Å; K7-E22 PolarHBondContact NZ-OE2 3.16Å; E22-R24 IonicContact OE1-CZ 3.86Å; E22-R24 VanDerWaalsContact OE1-CZ 3.28Å; E22-R24 IonicContact OE1-NE 2.86Å; E22-R24 PolarHBondContact OE1-NE 2.67Å; E22-R24 IonicContact OE1-NH2 3.01Å; E22-R24 PolarHBondContact OE1-NH2 2.85Å
23V97.8Very high97.5Very high4 Ų470 Ų702%0.02436%0.355CS..EExtended strand (participates in β ladder)trans-130.3138.1-178.6-1760000110.3I8 F10 L21 G25 C27 W49I8-V23 HydrophobicContact CG2-CB 3.8Å; I8-V23 HydrophobicContact CG2-CG1 4.47Å; I8-V23 PolarHBondContact N-O 3.35Å; I8-V23 PolarHBondContact O-N 3.3Å; F10-V23 HydrophobicContact CD2-CG2 4.22Å; F10-V23 HydrophobicContact CE2-CB 4.34Å; F10-V23 HydrophobicContact CE2-CG2 3.86Å; L21-V23 HydrophobicContact CD1-CG2 4.36Å; L21-V23 HydrophobicContact CD2-CG2 4.12Å; L21-V23 HydrophobicContact CG-CG2 3.86Å; V23-G25 WeakPolarHBondContact CG1-O 3.48Å; V23-C27 HydrophobicContact CG1-CB 3.74Å; V23-C27 HydrophobicContact CG2-CB 4.21Å; V23-W49 HydrophobicContact CB-CH2 4.41Å; V23-W49 HydrophobicContact CB-CZ3 4.48Å; V23-W49 HydrophobicContact CG1-CH2 3.97Å; V23-W49 HydrophobicContact CG1-CZ3 3.85Å
24R94.9Very high97.3Very high140 Ų14071.1 Ų71.153%0.52837%0.367SS..SBendtrans-127.712.1-176.6-68.9-179.8179.9-101.52.7114.4G6 K7 E22G6-R24 WeakPolarHBondContact O-CA 3.42Å; K7-R24 HydrophobicContact CB-CG 4.5Å; E22-R24 IonicContact OE1-CZ 3.86Å; E22-R24 VanDerWaalsContact OE1-CZ 3.28Å; E22-R24 IonicContact OE1-NE 2.86Å; E22-R24 PolarHBondContact OE1-NE 2.67Å; E22-R24 IonicContact OE1-NH2 3.01Å; E22-R24 PolarHBondContact OE1-NH2 2.85Å
25G94.3Very high97.3Very high24 Ų2465.3 Ų65.325%0.24735%0.345CS..SBendtrans-173.5-157.5178.500000109.5V23 C27 W49V23-G25 WeakPolarHBondContact CG1-O 3.48Å; G25-C27 PolarHBondContact O-N 2.84Å; G25-W49 VanDerWaalsContact O-CZ3 3.26Å; G25-W49 WeakPolarHBondContact O-CZ3 3.46Å
26D96.8Very high97.1Very high82 Ų8267.7 Ų67.744%0.43935%0.349SS..  trans-61.7135.6177.3-59.326.2000110.4F57 K86 P87 R89D26-F57 HydrophobicContact CB-CZ 4.12Å; D26-K86 HydrophobicContact CB-CB 4.44Å; D26-P87 WeakPolarHBondContact OD1-CD 3.21Å; D26-R89 IonicContact OD1-NH2 3.55Å; D26-R89 PolarHBondContact OD1-NH2 2.82Å; D26-R89 IonicContact OD2-CZ 3.93Å; D26-R89 IonicContact OD2-NH2 3.54Å; D26-R89 PolarHBondContact OD2-NH2 3.2Å
27C97.9Very high96.9Very high4 Ų466.3 Ų66.33%0.02734%0.343CS..BIsolated β-bridgetrans-13798171.6-172.30000107.5V23 G25 F30 S84 C85V23-C27 HydrophobicContact CG1-CB 3.74Å; V23-C27 HydrophobicContact CG2-CB 4.21Å; G25-C27 PolarHBondContact O-N 2.84Å; C27-F30 HydrophobicContact CB-CD1 4.49Å; C27-F30 HydrophobicContact CB-CE1 4.32Å; C27-S84 CarbonylContact O-C 3.48Å; C27-S84 WeakPolarHBondContact O-CA 3.37Å; C27-S84 WeakPolarHBondContact O-CB 3.5Å; C27-C85 PolarHBondContact N-O 3.15Å; C27-C85 PolarHBondContact O-N 2.9Å
28D98.1Very high96.8Very high81 Ų8169.1 Ų69.143%0.43335%0.345SS..SBendtrans-75.6-21.3-177.353.3-3.1000113.6P55 D56 F57 S84D28-P55 CarbonylContact O-C 3.52Å; D28-P55 VanDerWaalsContact O-CA 3.29Å; D28-P55 WeakPolarHBondContact O-CA 3.45Å; D28-D56 PolarHBondContact O-N 3.31Å; D28-F57 HydrophobicContact CB-CE1 4.23Å; D28-F57 HydrophobicContact CB-CE2 3.9Å; D28-F57 HydrophobicContact CB-CZ 3.63Å; D28-S84 VanDerWaalsContact O-CB 3.22Å; D28-S84 WeakPolarHBondContact O-CB 3.38Å
29N98.2Very high96.9Very high26 Ų2666 Ų6614%0.13931%0.313CS..  trans-149.3116.2175.8-174.4-0.9000112.4Q31 D32 P55 G83N29-Q31 VanDerWaalsContact C-N 3.3Å; N29-Q31 PolarHBondContact O-N 3.39Å; N29-Q31 WeakPolarHBondContact OD1-CB 3.31Å; N29-Q31 PolarHBondContact OD1-N 3.44Å; N29-D32 HydrophobicContact CB-CB 4.33Å; N29-D32 VanDerWaalsContact CB-OD2 3.31Å; N29-D32 WeakPolarHBondContact CB-OD2 2.97Å; N29-D32 PolarHBondContact ND2-OD1 3.39Å; N29-D32 PolarHBondContact ND2-OD2 3.27Å; N29-D32 PolarHBondContact O-N 2.93Å; N29-P55 HydrophobicContact CB-CB 4.36Å; N29-G83 WeakPolarHBondContact CA-O 3.19Å
30F98.4Very high96.9Very high0 Ų060 Ų600%029%0.291CS..SBendtrans-67.9-28.5178.1-68.3-1.2000112.9F10 L21 C27 D32 R33 G34 F35 N37 V39 M82 G83 C85F10-F30 HydrophobicContact CD1-CE2 4.31Å; F10-F30 HydrophobicContact CD1-CZ 4.38Å; F10-F30 HydrophobicContact CD2-CE2 4.39Å; F10-F30 HydrophobicContact CD2-CZ 4.11Å; F10-F30 HydrophobicContact CE1-CE2 4.37Å; F10-F30 HydrophobicContact CE1-CZ 4.05Å; F10-F30 HydrophobicContact CE2-CE1 4.21Å; F10-F30 HydrophobicContact CE2-CE2 4.42Å; F10-F30 AromaticContact CE2-CZ 3.73Å; F10-F30 HydrophobicContact CE2-CZ 3.73Å; F10-F30 HydrophobicContact CG-CE2 4.34Å; F10-F30 HydrophobicContact CG-CZ 4.42Å; F10-F30 HydrophobicContact CZ-CE1 4.48Å; F10-F30 HydrophobicContact CZ-CE2 4.41Å; F10-F30 AromaticContact CZ-CZ 3.7Å; F10-F30 HydrophobicContact CZ-CZ 3.7Å; L21-F30 HydrophobicContact CD2-CB 4.03Å; L21-F30 HydrophobicContact CD2-CD1 3.76Å; L21-F30 HydrophobicContact CD2-CD2 4.29Å; L21-F30 HydrophobicContact CD2-CE1 4.29Å; L21-F30 HydrophobicContact CD2-CG 3.76Å; C27-F30 HydrophobicContact CB-CD1 4.49Å; C27-F30 HydrophobicContact CB-CE1 4.32Å; F30-D32 VanDerWaalsContact C-N 3.33Å; F30-D32 PolarHBondContact O-N 2.79Å; F30-R33 CarbonylContact O-C 3.52Å; F30-R33 WeakPolarHBondContact O-CA 3.3Å; F30-R33 WeakPolarHBondContact O-CB 3.41Å; F30-R33 PolarHBondContact O-N 2.67Å; F30-G34 PolarHBondContact O-N 2.86Å; F30-F35 CarbonylContact C-O 3.37Å; F30-F35 VanDerWaalsContact C-O 3.29Å; F30-F35 HydrophobicContact CB-CB 4.32Å; F30-F35 HydrophobicContact CB-CD1 4.29Å; F30-F35 HydrophobicContact CD2-CD1 4.17Å; F30-F35 PolarHBondContact O-N 2.81Å; F30-F35 VanDerWaalsContact O-N 3.08Å; F30-N37 WeakPolarHBondContact CB-OD1 3.01Å; F30-V39 HydrophobicContact CE2-CG2 4.2Å; F30-M82 WeakPolarHBondContact CD2-O 3.4Å; F30-M82 HydrophobicContact CE2-CB 3.92Å; F30-M82 HydrophobicContact CE2-CG 3.6Å; F30-M82 HydrophobicContact CE2-SD 4.03Å; F30-M82 HydrophobicContact CZ-CG 4.06Å; F30-M82 HydrophobicContact CZ-SD 4.27Å; F30-G83 WeakPolarHBondContact CD1-O 3.07Å; F30-G83 WeakPolarHBondContact CG-O 3.22Å; F30-G83 PolarHBondContact N-O 3.25Å; F30-C85 HydrophobicContact CE1-CB 4.22Å; F30-C85 HydrophobicContact CZ-CB 4.12Å
31Q97.3Very high96.9Very high106 Ų10654 Ų5450%0.49527%0.265SS..G310 helixtrans-68.4-33.9-179.7-59.4-172-6.400112N29 R33 G34 F35 N37N29-Q31 VanDerWaalsContact C-N 3.3Å; N29-Q31 PolarHBondContact O-N 3.39Å; N29-Q31 WeakPolarHBondContact OD1-CB 3.31Å; N29-Q31 PolarHBondContact OD1-N 3.44Å; Q31-R33 PolarHBondContact O-N 2.69Å; Q31-R33 VanDerWaalsContact O-N 3.14Å; Q31-G34 WeakPolarHBondContact O-CA 3.34Å; Q31-G34 PolarHBondContact O-N 2.91Å; Q31-F35 WeakPolarHBondContact CA-O 3.43Å; Q31-F35 PolarHBondContact N-O 3.14Å; Q31-N37 VanDerWaalsContact CG-OD1 3.31Å; Q31-N37 WeakPolarHBondContact CG-OD1 3.47Å; Q31-N37 PolarHBondContact NE2-ND2 2.91Å; Q31-N37 VanDerWaalsContact NE2-ND2 3.14Å
32D97.1Very high96.9Very high122 Ų12253.5 Ų53.565%0.65226%0.262SS*.G310 helixtrans-65-17.5174.8-64.7-19.1000111.9N29 F30N29-D32 HydrophobicContact CB-CB 4.33Å; N29-D32 VanDerWaalsContact CB-OD2 3.31Å; N29-D32 WeakPolarHBondContact CB-OD2 2.97Å; N29-D32 PolarHBondContact ND2-OD1 3.39Å; N29-D32 PolarHBondContact ND2-OD2 3.27Å; N29-D32 PolarHBondContact O-N 2.93Å; F30-D32 VanDerWaalsContact C-N 3.33Å; F30-D32 PolarHBondContact O-N 2.79Å
33R95.8Very high96.9Very high141 Ų14154.2 Ų54.253%0.53226%0.262SS..G310 helixtrans-98.19.7173.2-52.9-62.4-63.5-73.5-7.8112.9L21 F30 Q31 F35L21-R33 HydrophobicContact CD1-CB 3.63Å; L21-R33 HydrophobicContact CD1-CG 4.27Å; L21-R33 HydrophobicContact CD2-CB 4.45Å; F30-R33 CarbonylContact O-C 3.52Å; F30-R33 WeakPolarHBondContact O-CA 3.3Å; F30-R33 WeakPolarHBondContact O-CB 3.41Å; F30-R33 PolarHBondContact O-N 2.67Å; Q31-R33 PolarHBondContact O-N 2.69Å; Q31-R33 VanDerWaalsContact O-N 3.14Å; R33-F35 VanDerWaalsContact C-N 3.34Å
34G95.3Very high96.9Very high41 Ų4154.1 Ų54.142%0.42326%0.262SS..THydrogen-bonded Turntrans74.519.3178.900000114.7R19 F30 Q31R19-G34 PolarHBondContact NH1-O 3.35Å; F30-G34 PolarHBondContact O-N 2.86Å; Q31-G34 WeakPolarHBondContact O-CA 3.34Å; Q31-G34 PolarHBondContact O-N 2.91Å
35F96.7Very high97Very high3 Ų351.9 Ų51.91%0.01326%0.257CS..  trans-111.8121.8-178-165.9-90000110.3F10 E12 R19 L21 F30 Q31 R33 N37 R38 V39F10-F35 HydrophobicContact CB-CE1 4.44Å; F10-F35 HydrophobicContact CB-CZ 4.24Å; E12-F35 HydrophobicContact CG-CE2 3.7Å; E12-F35 HydrophobicContact CG-CZ 3.7Å; R19-F35 HydrophobicContact CG-CD2 4.34Å; L21-F35 HydrophobicContact CB-CB 4.11Å; L21-F35 HydrophobicContact CB-CD1 4.41Å; L21-F35 HydrophobicContact CB-CD2 3.56Å; L21-F35 HydrophobicContact CB-CE2 4.04Å; L21-F35 HydrophobicContact CB-CG 3.77Å; L21-F35 HydrophobicContact CD2-CB 3.92Å; L21-F35 HydrophobicContact CD2-CD1 4.34Å; L21-F35 HydrophobicContact CD2-CG 4.09Å; L21-F35 HydrophobicContact CG-CB 4.46Å; F30-F35 CarbonylContact C-O 3.37Å; F30-F35 VanDerWaalsContact C-O 3.29Å; F30-F35 HydrophobicContact CB-CB 4.32Å; F30-F35 HydrophobicContact CB-CD1 4.29Å; F30-F35 HydrophobicContact CD2-CD1 4.17Å; F30-F35 PolarHBondContact O-N 2.81Å; F30-F35 VanDerWaalsContact O-N 3.08Å; Q31-F35 WeakPolarHBondContact CA-O 3.43Å; Q31-F35 PolarHBondContact N-O 3.14Å; R33-F35 VanDerWaalsContact C-N 3.34Å; F35-N37 PolarHBondContact O-N 2.9Å; F35-R38 WeakPolarHBondContact CE1-O 3.35Å; F35-R38 WeakPolarHBondContact CZ-O 3.36Å; F35-V39 HydrophobicContact CE1-CG2 3.6Å; F35-V39 HydrophobicContact CZ-CG2 4.21Å
36M93.9Very high96.9Very high133 Ų13351.9 Ų51.966%0.65525%0.254SS*.  trans-81.538.3-163.6-67.4-65.3-16600114.6R38M36-R38 PolarHBondContact O-N 2.8Å
37N94.2Very high96.7Very high5 Ų548 Ų483%0.02723%0.233CC..SBendtrans50.225.3-178.7-60.3-4.2000114.9F30 Q31 F35 H81 M82F30-N37 WeakPolarHBondContact CB-OD1 3.01Å; Q31-N37 VanDerWaalsContact CG-OD1 3.31Å; Q31-N37 WeakPolarHBondContact CG-OD1 3.47Å; Q31-N37 PolarHBondContact NE2-ND2 2.91Å; Q31-N37 VanDerWaalsContact NE2-ND2 3.14Å; F35-N37 PolarHBondContact O-N 2.9Å; N37-H81 WeakPolarHBondContact CB-CE1 3.42Å; N37-H81 WeakPolarHBondContact O-CA 3.46Å; N37-H81 PolarHBondContact O-ND1 2.77Å; N37-M82 CarbonylContact C-O 3.29Å; N37-M82 WeakPolarHBondContact CA-O 3.31Å; N37-M82 WeakPolarHBondContact CB-O 3.39Å; N37-M82 PolarHBondContact O-N 3.03Å; N37-M82 VanDerWaalsContact O-N 3.13Å
38R96.9Very high96.5Very high136 Ų13647.9 Ų47.951%0.51323%0.232SC..BIsolated β-bridgetrans-110.6105.6-179.1-168.9-177.1-177-167.4-3.9109.4E12 F35 M36 D80E12-R38 WeakPolarHBondContact CA-O 3.49Å; F35-R38 WeakPolarHBondContact CE1-O 3.35Å; F35-R38 WeakPolarHBondContact CZ-O 3.36Å; M36-R38 PolarHBondContact O-N 2.8Å; R38-D80 CarbonylContact C-O 3.57Å; R38-D80 WeakPolarHBondContact CA-O 3.43Å; R38-D80 HydrophobicContact CG-CB 4.45Å; R38-D80 WeakPolarHBondContact CG-OD2 3.37Å; R38-D80 IonicContact CZ-OD2 2.81Å; R38-D80 IonicContact NE-OD2 3.97Å; R38-D80 PolarHBondContact NE-OD2 3.44Å; R38-D80 IonicContact NH2-OD2 3.52Å
39V98.3Very high96.5Very high0 Ų044 Ų440%021%0.211CC..  trans-122.7108.7-175.4179.40000109.5F10 F30 F35 I42 W75 D80 M82F10-V39 HydrophobicContact CB-CG1 4.22Å; F10-V39 HydrophobicContact CB-CG2 4Å; F10-V39 HydrophobicContact CD1-CG1 3.92Å; F10-V39 HydrophobicContact CD1-CG2 4.15Å; F10-V39 HydrophobicContact CG-CG2 4.38Å; F30-V39 HydrophobicContact CE2-CG2 4.2Å; F35-V39 HydrophobicContact CE1-CG2 3.6Å; F35-V39 HydrophobicContact CZ-CG2 4.21Å; V39-I42 HydrophobicContact CG1-CD1 3.81Å; V39-I42 HydrophobicContact CG1-CG1 3.53Å; V39-W75 HydrophobicContact CG1-CH2 4.15Å; V39-W75 HydrophobicContact CG1-CZ2 4.12Å; V39-D80 PolarHBondContact N-O 3.17Å; V39-D80 WeakPolarHBondContact O-CA 3.42Å; V39-D80 WeakPolarHBondContact O-CB 3.41Å; V39-M82 HydrophobicContact CB-CB 4.08Å; V39-M82 HydrophobicContact CG1-SD 4.43Å; V39-M82 HydrophobicContact CG2-CB 3.72Å; V39-M82 HydrophobicContact CG2-SD 4.36Å
40N98.2Very high96.5Very high10 Ų1042.9 Ų42.95%0.05321%0.205CC..SBendtrans-106.7-14.1177.8-80.2-84.3000113.2Y11 E12 G13 R14 E71 D80Y11-N40 PolarHBondContact O-N 3.36Å; E12-N40 WeakPolarHBondContact O-CB 3.44Å; E12-N40 PolarHBondContact O-ND2 2.83Å; G13-N40 VanDerWaalsContact C-CB 3.45Å; G13-N40 CarbonylContact O-C 3.55Å; G13-N40 WeakPolarHBondContact O-CB 3.41Å; R14-N40 HydrophobicContact CG-CB 4.03Å; N40-E71 WeakPolarHBondContact O-CA 3.4Å; N40-D80 PolarHBondContact ND2-OD2 3.04Å
41S98.7Very high96.5Very high0 Ų042.9 Ų42.90%021%0.205CC..EExtended strand (participates in β ladder)trans-155.1156.6169.457.70000111.6Y11 G13 F16 Y69 P70Y11-S41 WeakPolarHBondContact CB-OG 3.39Å; Y11-S41 PolarHBondContact N-O 3.38Å; Y11-S41 PolarHBondContact O-N 2.91Å; G13-S41 PolarHBondContact O-N 2.82Å; G13-S41 PolarHBondContact O-OG 3.24Å; F16-S41 WeakPolarHBondContact CA-OG 3.4Å; F16-S41 PolarHBondContact N-OG 3.29Å; S41-Y69 CarbonylContact C-O 3.56Å; S41-Y69 WeakPolarHBondContact CA-O 3.38Å; S41-Y69 WeakPolarHBondContact CB-O 3.44Å; S41-P70 WeakPolarHBondContact CB-O 3.44Å
42I98.8Very high96.5Very high0 Ų038 Ų380%018%0.183CC..EExtended strand (participates in β ladder)trans-138.5139.7-173.1-58.5176.3000109.9I8 T9 F10 F16 V39 V44 L64 Y69 W75 M82I8-I42 HydrophobicContact CD1-CG2 3.75Å; I8-I42 HydrophobicContact CG1-CG2 3.69Å; T9-I42 CarbonylContact O-C 3.51Å; T9-I42 WeakPolarHBondContact O-CA 3.49Å; F10-I42 HydrophobicContact CD1-CD1 3.87Å; F10-I42 HydrophobicContact CD1-CG1 3.82Å; F10-I42 HydrophobicContact CD1-CG2 4.4Å; F10-I42 HydrophobicContact CE1-CD1 3.95Å; F10-I42 HydrophobicContact CE1-CG1 4.32Å; F10-I42 HydrophobicContact CE1-CG2 4.43Å; F16-I42 WeakPolarHBondContact CE1-O 3.33Å; V39-I42 HydrophobicContact CG1-CD1 3.81Å; V39-I42 HydrophobicContact CG1-CG1 3.53Å; I42-V44 HydrophobicContact CG2-CG2 4.15Å; I42-L64 HydrophobicContact CD1-CD1 4.21Å; I42-L64 HydrophobicContact CD1-CG 4.26Å; I42-Y69 HydrophobicContact CB-CD2 4.43Å; I42-Y69 PolarHBondContact N-O 2.82Å; I42-Y69 WeakPolarHBondContact O-CB 3.4Å; I42-Y69 PolarHBondContact O-N 3.26Å; I42-W75 HydrophobicContact CB-CZ3 4.36Å; I42-W75 HydrophobicContact CD1-CD2 4.19Å; I42-W75 HydrophobicContact CD1-CE3 4.12Å; I42-W75 HydrophobicContact CD1-CH2 3.88Å; I42-W75 HydrophobicContact CD1-CZ2 3.95Å; I42-W75 HydrophobicContact CD1-CZ3 3.98Å; I42-W75 HydrophobicContact CG1-CE3 4.49Å; I42-W75 HydrophobicContact CG1-CH2 3.85Å; I42-W75 HydrophobicContact CG1-CZ2 4.38Å; I42-W75 HydrophobicContact CG1-CZ3 3.92Å; I42-M82 HydrophobicContact CD1-CE 3.83Å; I42-M82 HydrophobicContact CD1-SD 4.15Å
43R98.5Very high96.5Very high80 Ų8033.5 Ų33.530%0.30216%0.158SC..EExtended strand (participates in β ladder)trans-117.6124.5164.2-71.2-176.2165.2148.1-6.4109.9I8 T9 Y11 F16 E68I8-R43 CarbonylContact C-O 3.6Å; I8-R43 WeakPolarHBondContact CA-O 3.42Å; T9-R43 PolarHBondContact N-O 3.41Å; T9-R43 PolarHBondContact O-N 2.85Å; Y11-R43 HydrophobicContact CE2-CB 4.31Å; Y11-R43 HydrophobicContact CE2-CG 4.05Å; Y11-R43 PolarHBondContact OH-NH1 3.47Å; F16-R43 HydrophobicContact CD1-CG 3.55Å; F16-R43 VanDerWaalsContact CD2-CZ 3.5Å; F16-R43 HydrophobicContact CE1-CG 3.62Å; F16-R43 HydrophobicContact CG-CG 4.17Å; F16-R43 HydrophobicContact CZ-CG 4.29Å; R43-E68 HydrophobicContact CG-CG 4.29Å; R43-E68 IonicContact CZ-OE1 3.96Å; R43-E68 VanDerWaalsContact CZ-OE1 3.29Å; R43-E68 IonicContact NE-OE1 3.18Å; R43-E68 PolarHBondContact NE-OE1 3.15Å; R43-E68 IonicContact NH2-OE1 2.76Å; R43-E68 PolarHBondContact NH2-OE1 3.49Å
44V97.7Very high96.5Very high3 Ų331.3 Ų31.32%0.01815%0.154CC..EExtended strand (participates in β ladder)trans-102.2105.3169.7-174.20000107.2I8 I42 G47 L64 E65 G67 Y69I8-V44 HydrophobicContact CD1-CG2 3.91Å; I8-V44 HydrophobicContact CG1-CG2 4.07Å; I42-V44 HydrophobicContact CG2-CG2 4.15Å; V44-G47 VanDerWaalsContact CG1-O 3.24Å; V44-G47 WeakPolarHBondContact CG1-O 3.4Å; V44-L64 HydrophobicContact CG2-CB 3.87Å; V44-E65 VanDerWaalsContact CB-O 3.27Å; V44-E65 WeakPolarHBondContact CB-O 3.14Å; V44-E65 WeakPolarHBondContact CG2-O 3.43Å; V44-G67 PolarHBondContact N-O 3.2Å; V44-G67 PolarHBondContact O-N 2.99Å; V44-Y69 HydrophobicContact CG2-CD2 4.45Å; V44-Y69 HydrophobicContact CG2-CE2 3.97Å
45E95.2Very high96.7Very high93 Ų9331 Ų3144%0.43514%0.144SC..EExtended strand (participates in β ladder)trans-84.3-28.4-178.7-68.1-178.1-164.100112.1K7 H66K7-E45 HydrophobicContact CB-CB 4.27Å; K7-E45 WeakPolarHBondContact CD-OE2 3.41Å; K7-E45 WeakPolarHBondContact CE-OE1 3.09Å; K7-E45 WeakPolarHBondContact CE-OE2 3.47Å; K7-E45 HydrophobicContact CG-CB 4.33Å; K7-E45 IonicContact NZ-OE1 2.87Å; K7-E45 PolarHBondContact NZ-OE1 2.94Å; K7-E45 IonicContact NZ-OE2 3.28Å; K7-E45 PolarHBondContact NZ-OE2 3.12Å; K7-E45 PolarHBondContact O-N 2.9Å; E45-H66 PolarHBondContact O-CD2 3.25Å; E45-H66 VanDerWaalsContact O-CD2 3.29Å
46S92.6Very high96.7Very high24 Ų2435.1 Ų35.117%0.16817%0.166CC..EExtended strand (participates in β ladder)trans-158.6149.4174.660.70000112.1S5 G6 K7 W49S5-S46 PolarHBondContact O-OG 3.14Å; G6-S46 WeakPolarHBondContact CA-O 3.37Å; G6-S46 WeakPolarHBondContact CA-OG 3.35Å; K7-S46 PolarHBondContact N-O 3.19Å; K7-S46 PolarHBondContact N-OG 3.34Å; K7-S46 PolarHBondContact O-N 3.5Å; S46-W49 PolarHBondContact O-NE1 2.72Å; S46-W49 VanDerWaalsContact O-NE1 3.11Å
47G92.4Very high96.9Very high1 Ų131 Ų311%0.0115%0.145CC..SBendtrans75.4-174.5-176.900000113.8V44 H66 N181 Y182V44-G47 VanDerWaalsContact CG1-O 3.24Å; V44-G47 WeakPolarHBondContact CG1-O 3.4Å; G47-H66 PolarHBondContact O-N 3.3Å; G47-N181 WeakPolarHBondContact CA-OD1 3.02Å; G47-Y182 WeakPolarHBondContact CA-O 3.42Å; G47-Y182 PolarHBondContact N-O 2.97Å
48A95.3Very high97Very high0 Ų038.3 Ų38.30%017%0.172CC..  trans-117.2152.6166.200000109.5L64 E65 I88 V179 N181A48-L64 CarbonylContact C-O 3.5Å; A48-L64 WeakPolarHBondContact CA-O 3.39Å; A48-E65 HydrophobicContact CB-CG 4.27Å; A48-I88 HydrophobicContact CB-CB 4.16Å; A48-I88 HydrophobicContact CB-CG1 3.87Å; A48-I88 WeakPolarHBondContact O-CB 3.25Å; A48-I88 PolarHBondContact O-N 2.81Å; A48-V179 HydrophobicContact CB-CG1 3.8Å; A48-N181 HydrophobicContact CB-CB 4.14Å; A48-N181 PolarHBondContact N-OD1 3.14Å
49W97.3Very high97Very high0 Ų033.6 Ų33.60%017%0.166CC..EExtended strand (participates in β ladder)trans-135.6137.5-169.2-68.378.7000111.2G6 I8 V23 G25 S46 L64 C85 P87G6-W49 VanDerWaalsContact C-CZ2 3.45Å; I8-W49 HydrophobicContact CB-CD2 3.82Å; I8-W49 HydrophobicContact CB-CE3 4.34Å; I8-W49 HydrophobicContact CB-CG 4.09Å; I8-W49 HydrophobicContact CB-CZ2 4.03Å; I8-W49 HydrophobicContact CD1-CB 3.86Å; I8-W49 HydrophobicContact CD1-CD2 4.22Å; I8-W49 HydrophobicContact CD1-CG 3.82Å; I8-W49 HydrophobicContact CG2-CD2 3.55Å; I8-W49 HydrophobicContact CG2-CE3 3.55Å; I8-W49 HydrophobicContact CG2-CG 4.25Å; I8-W49 HydrophobicContact CG2-CH2 3.64Å; I8-W49 HydrophobicContact CG2-CZ2 3.64Å; I8-W49 HydrophobicContact CG2-CZ3 3.6Å; V23-W49 HydrophobicContact CB-CH2 4.41Å; V23-W49 HydrophobicContact CB-CZ3 4.48Å; V23-W49 HydrophobicContact CG1-CH2 3.97Å; V23-W49 HydrophobicContact CG1-CZ3 3.85Å; G25-W49 VanDerWaalsContact O-CZ3 3.26Å; G25-W49 WeakPolarHBondContact O-CZ3 3.46Å; S46-W49 PolarHBondContact O-NE1 2.72Å; S46-W49 VanDerWaalsContact O-NE1 3.11Å; W49-L64 HydrophobicContact CB-CB 4.38Å; W49-L64 PolarHBondContact N-O 2.89Å; W49-L64 PolarHBondContact O-N 2.85Å; W49-C85 HydrophobicContact CE3-CB 4.39Å; W49-P87 HydrophobicContact CD2-CB 4.39Å; W49-P87 HydrophobicContact CE3-CB 4.32Å; W49-P87 HydrophobicContact CH2-CB 4.39Å; W49-P87 HydrophobicContact CZ2-CB 4.45Å; W49-P87 HydrophobicContact CZ3-CB 4.32Å
50I97.8Very high96.8Very high3 Ų335 Ų352%0.01517%0.172CC..EExtended strand (participates in β ladder)trans-93.5120.9164.7-48.2175.4000107.4Y52 Q61 Y62 C85 K86 I88 I154I50-Y52 HydrophobicContact CB-CE2 4.02Å; I50-Y52 HydrophobicContact CG2-CD2 4.25Å; I50-Y52 HydrophobicContact CG2-CE1 4.15Å; I50-Y52 HydrophobicContact CG2-CE2 3.52Å; I50-Y52 VanDerWaalsContact CG2-CZ 3.46Å; I50-Y52 WeakPolarHBondContact CG2-OH 3.26Å; I50-Q61 HydrophobicContact CG2-CB 4.3Å; I50-Y62 WeakPolarHBondContact CA-O 3.38Å; I50-C85 CarbonylContact O-C 3.55Å; I50-C85 WeakPolarHBondContact O-CA 3.25Å; I50-K86 HydrophobicContact CB-CG 4.27Å; I50-K86 PolarHBondContact N-O 3.15Å; I50-K86 PolarHBondContact O-N 3.21Å; I50-I88 HydrophobicContact CD1-CD1 3.62Å; I50-I88 HydrophobicContact CG1-CD1 3.38Å; I50-I88 HydrophobicContact CG1-CG1 4.19Å; I50-I154 HydrophobicContact CD1-CB 3.86Å; I50-I154 HydrophobicContact CD1-CG2 3.52Å; I50-I154 HydrophobicContact CG1-CB 4.15Å; I50-I154 HydrophobicContact CG1-CG1 4.42Å; I50-I154 HydrophobicContact CG1-CG2 3.86Å; I50-I154 HydrophobicContact CG2-CD1 4.17Å
51C98.3Very high96.8Very high0 Ų034.8 Ų34.80%017%0.171CC..EExtended strand (participates in β ladder)trans-110150173-64.20000110.1Q61 Y62 L64 M82 C85C51-Q61 CarbonylContact O-C 3.58Å; C51-Q61 WeakPolarHBondContact O-CA 3.4Å; C51-Y62 PolarHBondContact N-O 2.94Å; C51-Y62 PolarHBondContact O-N 2.93Å; C51-L64 HydrophobicContact CB-CD2 3.84Å; C51-M82 HydrophobicContact CB-CE 3.62Å; C51-M82 HydrophobicContact CB-CG 4.26Å; C51-M82 HydrophobicContact CB-SD 3.54Å; C51-M82 VanDerWaalsContact CB-SD 3.54Å; C51-C85 HydrophobicContact CB-CB 4.38Å
52Y98.3Very high96.8Very high4 Ų435.4 Ų35.42%0.01617%0.173CC..EExtended strand (participates in β ladder)trans-129.6142.8-176-61-94.6000110.1I50 H54 F57 R58 Q60 Q61 M82 G83 S84 K86I50-Y52 HydrophobicContact CB-CE2 4.02Å; I50-Y52 HydrophobicContact CG2-CD2 4.25Å; I50-Y52 HydrophobicContact CG2-CE1 4.15Å; I50-Y52 HydrophobicContact CG2-CE2 3.52Å; I50-Y52 VanDerWaalsContact CG2-CZ 3.46Å; I50-Y52 WeakPolarHBondContact CG2-OH 3.26Å; Y52-H54 VanDerWaalsContact C-N 3.31Å; Y52-H54 PolarHBondContact O-N 3.46Å; Y52-F57 WeakPolarHBondContact CD1-O 3.31Å; Y52-F57 HydrophobicContact CD2-CB 3.98Å; Y52-F57 HydrophobicContact CD2-CD1 4.01Å; Y52-F57 HydrophobicContact CE1-CB 4.25Å; Y52-F57 VanDerWaalsContact CE1-O 3.24Å; Y52-F57 WeakPolarHBondContact CE1-O 3.44Å; Y52-F57 HydrophobicContact CE2-CB 3.7Å; Y52-F57 AromaticContact CE2-CD1 3.93Å; Y52-F57 HydrophobicContact CE2-CD1 3.93Å; Y52-F57 HydrophobicContact CE2-CG 4.24Å; Y52-F57 HydrophobicContact CG-CB 4.38Å; Y52-R58 WeakPolarHBondContact CB-O 2.96Å; Y52-Q60 WeakPolarHBondContact CA-O 3.45Å; Y52-Q61 HydrophobicContact CD1-CG 3.94Å; Y52-Q61 HydrophobicContact CE1-CB 4.4Å; Y52-Q61 HydrophobicContact CE1-CG 3.65Å; Y52-M82 VanDerWaalsContact O-CG 3.29Å; Y52-M82 WeakPolarHBondContact O-CG 3.23Å; Y52-G83 PolarHBondContact O-N 2.8Å; Y52-S84 WeakPolarHBondContact CB-OG 3.27Å; Y52-S84 PolarHBondContact N-O 2.79Å; Y52-S84 PolarHBondContact O-N 2.77Å; Y52-K86 HydrophobicContact CE2-CD 4.34Å; Y52-K86 HydrophobicContact CE2-CG 4.33Å; Y52-K86 WeakPolarHBondContact OH-CE 3.42Å; Y52-K86 PolarHBondContact OH-NZ 2.92Å; Y52-K86 VanDerWaalsContact OH-NZ 3.16Å
53D96.3Very high96.7Very high26 Ų2635.7 Ų35.714%0.13918%0.175CC..SBendtrans-67.9-29.4176.861.8-5.6000112.8G59 Q60 Y62 H81 G83D53-G59 VanDerWaalsContact OD1-CA 3.24Å; D53-G59 WeakPolarHBondContact OD1-CA 3.5Å; D53-Q60 HydrophobicContact CB-CB 4.48Å; D53-Q60 VanDerWaalsContact CG-N 3.31Å; D53-Q60 PolarHBondContact N-O 2.92Å; D53-Q60 VanDerWaalsContact N-O 3.15Å; D53-Q60 PolarHBondContact OD1-N 2.88Å; D53-Q60 WeakPolarHBondContact OD2-CB 3.5Å; D53-Q60 PolarHBondContact OD2-N 2.91Å; D53-Y62 HydrophobicContact CB-CE2 4.29Å; D53-H81 PolarHBondContact O-CD2 3.11Å; D53-G83 PolarHBondContact O-N 3.14Å
54H96.9Very high96.7Very high95 Ų9531.9 Ų31.944%0.4416%0.161SC..SBendtrans-105.4162.5176.7-62.373000112.9Y52 R58 S84Y52-H54 VanDerWaalsContact C-N 3.31Å; Y52-H54 PolarHBondContact O-N 3.46Å; H54-R58 HydrophobicContact CB-CB 4.22Å; H54-R58 WeakPolarHBondContact CB-O 3.46Å; H54-R58 PolarHBondContact N-O 2.76Å; H54-S84 PolarHBondContact O-N 2.89Å; H54-S84 PolarHBondContact O-OG 2.82Å
55P97.9Very high96.6Very high35 Ų3533.2 Ų33.223%0.22717%0.167CC..SBendtrans-58.4170163-22.934.9000112.9D28 N29 F57 R58D28-P55 CarbonylContact O-C 3.52Å; D28-P55 VanDerWaalsContact O-CA 3.29Å; D28-P55 WeakPolarHBondContact O-CA 3.45Å; N29-P55 HydrophobicContact CB-CB 4.36Å; P55-F57 PolarHBondContact O-N 2.65Å; P55-R58 PolarHBondContact O-N 2.75Å
56D97.9Very high96.6Very high89 Ų8933.8 Ų33.848%0.47617%0.169SC..THydrogen-bonded Turntrans60.726.1175.6-51.6-49.3000114.9D28 R58D28-D56 PolarHBondContact O-N 3.31Å; D56-R58 HydrophobicContact CB-CG 4.32Å; D56-R58 WeakPolarHBondContact O-CG 3.34Å; D56-R58 PolarHBondContact O-N 3.28Å
57F97.8Very high96.8Very high47 Ų4733.6 Ų33.621%0.20617%0.171CC..THydrogen-bonded Turntrans59.642.2-178.7-42.4-60.1000113.6D26 D28 Y52 P55 S84 C85 K86 Q167D26-F57 HydrophobicContact CB-CZ 4.12Å; D28-F57 HydrophobicContact CB-CE1 4.23Å; D28-F57 HydrophobicContact CB-CE2 3.9Å; D28-F57 HydrophobicContact CB-CZ 3.63Å; Y52-F57 WeakPolarHBondContact CD1-O 3.31Å; Y52-F57 HydrophobicContact CD2-CB 3.98Å; Y52-F57 HydrophobicContact CD2-CD1 4.01Å; Y52-F57 HydrophobicContact CE1-CB 4.25Å; Y52-F57 VanDerWaalsContact CE1-O 3.24Å; Y52-F57 WeakPolarHBondContact CE1-O 3.44Å; Y52-F57 HydrophobicContact CE2-CB 3.7Å; Y52-F57 AromaticContact CE2-CD1 3.93Å; Y52-F57 HydrophobicContact CE2-CD1 3.93Å; Y52-F57 HydrophobicContact CE2-CG 4.24Å; Y52-F57 HydrophobicContact CG-CB 4.38Å; P55-F57 PolarHBondContact O-N 2.65Å; F57-S84 WeakPolarHBondContact CA-OG 3.27Å; F57-S84 PolarHBondContact N-OG 2.8Å; F57-C85 WeakPolarHBondContact CE1-O 3.4Å; F57-K86 HydrophobicContact CD1-CB 4.46Å; F57-K86 HydrophobicContact CD1-CD 4.29Å; F57-K86 HydrophobicContact CE1-CB 4.1Å; F57-K86 HydrophobicContact CG-CD 4.45Å; F57-Q167 PolarHBondContact O-NE2 3.31Å; F57-Q167 PolarHBondContact O-OE1 2.84Å
58R96.8Very high97Very high159 Ų15939.3 Ų39.360%0.620%0.197SC*.  trans-116.8158.7-176.1-63.4-178.5-175.5178.53.9113Y52 H54 P55 D56Y52-R58 WeakPolarHBondContact CB-O 2.96Å; H54-R58 HydrophobicContact CB-CB 4.22Å; H54-R58 WeakPolarHBondContact CB-O 3.46Å; H54-R58 PolarHBondContact N-O 2.76Å; P55-R58 PolarHBondContact O-N 2.75Å; D56-R58 HydrophobicContact CB-CG 4.32Å; D56-R58 WeakPolarHBondContact O-CG 3.34Å; D56-R58 PolarHBondContact O-N 3.28Å
59G95.3Very high97.2Very high36 Ų3640.8 Ų40.837%0.37120%0.203SC..SBendtrans87.6-148.9171.800000112.8D53 Q61D53-G59 VanDerWaalsContact OD1-CA 3.24Å; D53-G59 WeakPolarHBondContact OD1-CA 3.5Å; G59-Q61 PolarHBondContact O-N 3.2Å
60Q95.9Very high97.2Very high30 Ų3042.5 Ų42.514%0.1421%0.214CC..SBendtrans-66.8128.9-178-176.656.251.300110.3Y52 D53 Y62 R151 M152Y52-Q60 WeakPolarHBondContact CA-O 3.45Å; D53-Q60 HydrophobicContact CB-CB 4.48Å; D53-Q60 VanDerWaalsContact CG-N 3.31Å; D53-Q60 PolarHBondContact N-O 2.92Å; D53-Q60 VanDerWaalsContact N-O 3.15Å; D53-Q60 PolarHBondContact OD1-N 2.88Å; D53-Q60 WeakPolarHBondContact OD2-CB 3.5Å; D53-Q60 PolarHBondContact OD2-N 2.91Å; Q60-Y62 HydrophobicContact CB-CE2 4.25Å; Q60-Y62 HydrophobicContact CG-CE1 3.85Å; Q60-Y62 HydrophobicContact CG-CE2 3.99Å; Q60-Y62 WeakPolarHBondContact CG-OH 3.49Å; Q60-R151 VanDerWaalsContact OE1-CD 3.23Å; Q60-M152 VanDerWaalsContact NE2-N 3.13Å; Q60-M152 PolarHBondContact NE2-O 2.87Å
61Q97.6Very high97.2Very high5 Ų545.1 Ų45.12%0.02323%0.226CC..EExtended strand (participates in β ladder)trans-94.5148.3178.1-43.6179.419.400110.6I50 C51 Y52 G59 I154 W166I50-Q61 HydrophobicContact CG2-CB 4.3Å; C51-Q61 CarbonylContact O-C 3.58Å; C51-Q61 WeakPolarHBondContact O-CA 3.4Å; Y52-Q61 HydrophobicContact CD1-CG 3.94Å; Y52-Q61 HydrophobicContact CE1-CB 4.4Å; Y52-Q61 HydrophobicContact CE1-CG 3.65Å; G59-Q61 PolarHBondContact O-N 3.2Å; Q61-I154 HydrophobicContact CB-CD1 3.54Å; Q61-W166 PolarHBondContact NE2-O 3.05Å
62Y97.8Very high97.1Very high13 Ų1346.3 Ų46.35%0.05123%0.232CC..EExtended strand (participates in β ladder)trans-134.6132.4174.4-53.7-80.2000108.9I50 C51 D53 Q60 L64 W75 S77 M82I50-Y62 WeakPolarHBondContact CA-O 3.38Å; C51-Y62 PolarHBondContact N-O 2.94Å; C51-Y62 PolarHBondContact O-N 2.93Å; D53-Y62 HydrophobicContact CB-CE2 4.29Å; Q60-Y62 HydrophobicContact CB-CE2 4.25Å; Q60-Y62 HydrophobicContact CG-CE1 3.85Å; Q60-Y62 HydrophobicContact CG-CE2 3.99Å; Q60-Y62 WeakPolarHBondContact CG-OH 3.49Å; Y62-L64 WeakPolarHBondContact O-CD2 3.34Å; Y62-W75 AromaticContact CD1-CD1 3.68Å; Y62-W75 WeakPolarHBondContact CD1-O 3.11Å; Y62-W75 AromaticContact CG-CD1 3.9Å; Y62-S77 PolarHBondContact OH-OG 2.85Å; Y62-M82 HydrophobicContact CD2-CE 4.26Å
63I97.2Very high96.9Very high7 Ų750.1 Ų50.14%0.03625%0.25CC..EExtended strand (participates in β ladder)trans-93.3124.3171.5-171.770.2000109.8E65 I88 V141 M152 I154 V179I63-E65 HydrophobicContact CG1-CG 4.2Å; I63-I88 HydrophobicContact CD1-CD1 4Å; I63-I88 HydrophobicContact CD1-CG1 4Å; I63-V141 HydrophobicContact CG2-CB 4.3Å; I63-V141 HydrophobicContact CG2-CG1 4.23Å; I63-V141 HydrophobicContact CG2-CG2 4.1Å; I63-M152 HydrophobicContact CG2-SD 3.88Å; I63-I154 HydrophobicContact CB-CD1 4.33Å; I63-I154 HydrophobicContact CB-CG1 4.06Å; I63-I154 HydrophobicContact CD1-CG1 4.25Å; I63-V179 HydrophobicContact CD1-CB 4.44Å; I63-V179 HydrophobicContact CD1-CG1 3.62Å; I63-V179 HydrophobicContact CD1-CG2 3.91Å; I63-V179 HydrophobicContact CG1-CG1 3.97Å; I63-V179 HydrophobicContact CG1-CG2 4.02Å
64L97.4Very high96.9Very high0 Ų056.4 Ų56.40%027%0.271CS..EExtended strand (participates in β ladder)trans-121.3108.3179.2-70.7-59.6000107.9I8 I42 V44 A48 W49 C51 Y62 Y69 W75I8-L64 HydrophobicContact CD1-CB 4.39Å; I42-L64 HydrophobicContact CD1-CD1 4.21Å; I42-L64 HydrophobicContact CD1-CG 4.26Å; V44-L64 HydrophobicContact CG2-CB 3.87Å; A48-L64 CarbonylContact C-O 3.5Å; A48-L64 WeakPolarHBondContact CA-O 3.39Å; W49-L64 HydrophobicContact CB-CB 4.38Å; W49-L64 PolarHBondContact N-O 2.89Å; W49-L64 PolarHBondContact O-N 2.85Å; C51-L64 HydrophobicContact CB-CD2 3.84Å; Y62-L64 WeakPolarHBondContact O-CD2 3.34Å; L64-Y69 HydrophobicContact CD1-CD1 3.94Å; L64-Y69 HydrophobicContact CD1-CD2 4.1Å; L64-Y69 HydrophobicContact CD1-CE1 3.79Å; L64-Y69 HydrophobicContact CD1-CE2 3.95Å; L64-Y69 HydrophobicContact CD1-CG 4.1Å; L64-W75 HydrophobicContact CD1-CB 3.56Å; L64-W75 HydrophobicContact CD1-CD2 4.42Å; L64-W75 HydrophobicContact CD1-CE3 4.5Å; L64-W75 HydrophobicContact CD1-CG 4.09Å
65E95.8Very high96.8Very high31 Ų3152.3 Ų52.315%0.14525%0.252CS..  trans-93.8170.1179.6-63.7162.6138.800109V44 A48 I63 G67 Y69 R177 V179 V180V44-E65 VanDerWaalsContact CB-O 3.27Å; V44-E65 WeakPolarHBondContact CB-O 3.14Å; V44-E65 WeakPolarHBondContact CG2-O 3.43Å; A48-E65 HydrophobicContact CB-CG 4.27Å; I63-E65 HydrophobicContact CG1-CG 4.2Å; E65-G67 PolarHBondContact O-N 3.12Å; E65-Y69 PolarHBondContact N-OH 2.81Å; E65-Y69 WeakPolarHBondContact O-CE2 3.25Å; E65-Y69 PolarHBondContact O-OH 3.46Å; E65-Y69 VanDerWaalsContact O-OH 3.11Å; E65-R177 IonicContact OE1-CZ 2.89Å; E65-R177 IonicContact OE1-NH1 3.97Å; E65-R177 PolarHBondContact OE1-NH1 3.08Å; E65-R177 IonicContact OE1-NH2 2.67Å; E65-R177 IonicContact OE2-CZ 3.86Å; E65-R177 IonicContact OE2-NH1 2.83Å; E65-R177 PolarHBondContact OE2-NH1 2.99Å; E65-R177 IonicContact OE2-NH2 3.82Å; E65-R177 PolarHBondContact OE2-NH2 3.3Å; E65-V179 HydrophobicContact CG-CG1 4.33Å; E65-V179 WeakPolarHBondContact OE1-CA 3.47Å; E65-V180 WeakPolarHBondContact CG-O 3.35Å; E65-V180 PolarHBondContact OE1-N 2.99Å
66H95.4Very high96.5Very high104 Ų10454.4 Ų54.448%0.48126%0.261SS..SBendtrans-50.2125.2178.1172.3-82.7000111.7E45 G47 Y182E45-H66 PolarHBondContact O-CD2 3.25Å; E45-H66 VanDerWaalsContact O-CD2 3.29Å; G47-H66 PolarHBondContact O-N 3.3Å; H66-Y182 HydrophobicContact CB-CD2 4.14Å
67G96.7Very high96.3Very high21 Ų2150.4 Ų50.422%0.21624%0.24CC..EExtended strand (participates in β ladder)trans153.4-176.5-178.200000115V44 E65V44-G67 PolarHBondContact N-O 3.2Å; V44-G67 PolarHBondContact O-N 2.99Å; E65-G67 PolarHBondContact O-N 3.12Å
68E98.3Very high96.1Very high120 Ų12056.6 Ų56.656%0.56127%0.27SS*.EExtended strand (participates in β ladder)trans-111.9127.4-179.6-69.1-158.2137.300110.9F16 R43 P70F16-E68 HydrophobicContact CE1-CB 4.46Å; F16-E68 HydrophobicContact CE2-CB 4.42Å; F16-E68 HydrophobicContact CZ-CB 3.75Å; F16-E68 HydrophobicContact CZ-CG 4.27Å; R43-E68 HydrophobicContact CG-CG 4.29Å; R43-E68 IonicContact CZ-OE1 3.96Å; R43-E68 VanDerWaalsContact CZ-OE1 3.29Å; R43-E68 IonicContact NE-OE1 3.18Å; R43-E68 PolarHBondContact NE-OE1 3.15Å; R43-E68 IonicContact NH2-OE1 2.76Å; R43-E68 PolarHBondContact NH2-OE1 3.49Å; E68-P70 WeakPolarHBondContact O-CD 3.44Å
69Y98.3Very high95.9Very high32 Ų3252.5 Ų52.513%0.12526%0.26CS..EExtended strand (participates in β ladder)trans-120.488.4-178.9-58.9-97.8000109.4S41 I42 V44 L64 E65 E71 R74 W75S41-Y69 CarbonylContact C-O 3.56Å; S41-Y69 WeakPolarHBondContact CA-O 3.38Å; S41-Y69 WeakPolarHBondContact CB-O 3.44Å; I42-Y69 HydrophobicContact CB-CD2 4.43Å; I42-Y69 PolarHBondContact N-O 2.82Å; I42-Y69 WeakPolarHBondContact O-CB 3.4Å; I42-Y69 PolarHBondContact O-N 3.26Å; V44-Y69 HydrophobicContact CG2-CD2 4.45Å; V44-Y69 HydrophobicContact CG2-CE2 3.97Å; L64-Y69 HydrophobicContact CD1-CD1 3.94Å; L64-Y69 HydrophobicContact CD1-CD2 4.1Å; L64-Y69 HydrophobicContact CD1-CE1 3.79Å; L64-Y69 HydrophobicContact CD1-CE2 3.95Å; L64-Y69 HydrophobicContact CD1-CG 4.1Å; E65-Y69 PolarHBondContact N-OH 2.81Å; E65-Y69 WeakPolarHBondContact O-CE2 3.25Å; E65-Y69 PolarHBondContact O-OH 3.46Å; E65-Y69 VanDerWaalsContact O-OH 3.11Å; Y69-E71 VanDerWaalsContact C-N 3.25Å; Y69-E71 PolarHBondContact O-N 2.85Å; Y69-R74 HydrophobicContact CD1-CB 3.85Å; Y69-W75 HydrophobicContact CD1-CB 4.42Å; Y69-W75 HydrophobicContact CD1-CE3 4.21Å; Y69-W75 HydrophobicContact CG-CE3 4.21Å
70P98.2Very high95.9Very high35 Ų3553 Ų5323%0.22725%0.254CS..SBendtrans-71.2-13.1-171.926.4-36.9000115.2C15 F16 S41 E68 R74C15-P70 PolarHBondContact N-O 2.77Å; F16-P70 HydrophobicContact CE2-CB 4.39Å; F16-P70 HydrophobicContact CZ-CB 4.01Å; S41-P70 WeakPolarHBondContact CB-O 3.44Å; E68-P70 WeakPolarHBondContact O-CD 3.44Å; P70-R74 HydrophobicContact CG-CG 4.39Å
71E97.3Very high95.9Very high58 Ų5855.3 Ų55.327%0.27126%0.264SS..SBendtrans-154.8156.717966-172.1151.400111.6R14 N40 Y69 Q73 R74 W75R14-E71 IonicContact NH1-OE2 3.27Å; N40-E71 WeakPolarHBondContact O-CA 3.4Å; Y69-E71 VanDerWaalsContact C-N 3.25Å; Y69-E71 PolarHBondContact O-N 2.85Å; E71-Q73 VanDerWaalsContact C-N 3.25Å; E71-Q73 HydrophobicContact CG-CB 4.45Å; E71-Q73 PolarHBondContact O-N 2.86Å; E71-Q73 PolarHBondContact OE2-OE1 2.91Å; E71-R74 HydrophobicContact CG-CG 3.9Å; E71-R74 VanDerWaalsContact O-CB 3.25Å; E71-R74 WeakPolarHBondContact O-CB 3.38Å; E71-R74 WeakPolarHBondContact O-CG 3.38Å; E71-R74 PolarHBondContact O-N 3.38Å; E71-W75 WeakPolarHBondContact O-CZ3 3.2Å
72F95.2Very high95.9Very high26 Ų2655.1 Ų55.111%0.11426%0.264CS..G310 helixtrans-66.7-21.1-170.860.7-110000116R74 W75 S77 D80F72-R74 PolarHBondContact O-N 2.61Å; F72-W75 VanDerWaalsContact CA-CE2 3.45Å; F72-W75 VanDerWaalsContact CA-CZ3 3.49Å; F72-W75 HydrophobicContact CB-CD2 4.37Å; F72-W75 HydrophobicContact CB-CH2 3.62Å; F72-W75 HydrophobicContact CB-CZ2 3.21Å; F72-W75 HydrophobicContact CB-CZ3 4.34Å; F72-W75 PolarHBondContact O-N 2.94Å; F72-S77 WeakPolarHBondContact CD2-O 3.28Å; F72-S77 PolarHBondContact O-N 2.69Å; F72-S77 VanDerWaalsContact O-N 3.15Å; F72-D80 HydrophobicContact CD1-CB 4.04Å; F72-D80 HydrophobicContact CE1-CB 4.38Å
73Q94.4Very high95.9Very high84 Ų8454.5 Ų54.539%0.39326%0.261SS..G310 helixtrans-64.3-23.3172.6-62.189-25.500111.8E71 W75 N76E71-Q73 VanDerWaalsContact C-N 3.25Å; E71-Q73 HydrophobicContact CG-CB 4.45Å; E71-Q73 PolarHBondContact O-N 2.86Å; E71-Q73 PolarHBondContact OE2-OE1 2.91Å; Q73-W75 PolarHBondContact O-N 3.47Å; Q73-N76 PolarHBondContact O-N 3.22Å; Q73-N76 VanDerWaalsContact O-N 3.12Å
74R95.9Very high96Very high158 Ų15854.2 Ų54.260%0.59626%0.259SS*.G310 helixtrans-69.9-16.9-180-63.8-67-169.81714.7113.7Y69 P70 E71 F72Y69-R74 HydrophobicContact CD1-CB 3.85Å; P70-R74 HydrophobicContact CG-CG 4.39Å; E71-R74 HydrophobicContact CG-CG 3.9Å; E71-R74 VanDerWaalsContact O-CB 3.25Å; E71-R74 WeakPolarHBondContact O-CB 3.38Å; E71-R74 WeakPolarHBondContact O-CG 3.38Å; E71-R74 PolarHBondContact O-N 3.38Å; F72-R74 PolarHBondContact O-N 2.61Å
75W94.8Very high96Very high8 Ų854.2 Ų54.23%0.0326%0.259CS..G310 helixtrans-113.822.8171.360.788.2000112.6V39 I42 Y62 L64 Y69 E71 F72 Q73 S77 M152V39-W75 HydrophobicContact CG1-CH2 4.15Å; V39-W75 HydrophobicContact CG1-CZ2 4.12Å; I42-W75 HydrophobicContact CB-CZ3 4.36Å; I42-W75 HydrophobicContact CD1-CD2 4.19Å; I42-W75 HydrophobicContact CD1-CE3 4.12Å; I42-W75 HydrophobicContact CD1-CH2 3.88Å; I42-W75 HydrophobicContact CD1-CZ2 3.95Å; I42-W75 HydrophobicContact CD1-CZ3 3.98Å; I42-W75 HydrophobicContact CG1-CE3 4.49Å; I42-W75 HydrophobicContact CG1-CH2 3.85Å; I42-W75 HydrophobicContact CG1-CZ2 4.38Å; I42-W75 HydrophobicContact CG1-CZ3 3.92Å; Y62-W75 AromaticContact CD1-CD1 3.68Å; Y62-W75 WeakPolarHBondContact CD1-O 3.11Å; Y62-W75 AromaticContact CG-CD1 3.9Å; L64-W75 HydrophobicContact CD1-CB 3.56Å; L64-W75 HydrophobicContact CD1-CD2 4.42Å; L64-W75 HydrophobicContact CD1-CE3 4.5Å; L64-W75 HydrophobicContact CD1-CG 4.09Å; Y69-W75 HydrophobicContact CD1-CB 4.42Å; Y69-W75 HydrophobicContact CD1-CE3 4.21Å; Y69-W75 HydrophobicContact CG-CE3 4.21Å; E71-W75 WeakPolarHBondContact O-CZ3 3.2Å; F72-W75 VanDerWaalsContact CA-CE2 3.45Å; F72-W75 VanDerWaalsContact CA-CZ3 3.49Å; F72-W75 HydrophobicContact CB-CD2 4.37Å; F72-W75 HydrophobicContact CB-CH2 3.62Å; F72-W75 HydrophobicContact CB-CZ2 3.21Å; F72-W75 HydrophobicContact CB-CZ3 4.34Å; F72-W75 PolarHBondContact O-N 2.94Å; Q73-W75 PolarHBondContact O-N 3.47Å; W75-S77 VanDerWaalsContact CD1-CB 3.5Å; W75-S77 PolarHBondContact O-N 3.22Å; W75-M152 WeakPolarHBondContact O-CE 3.27Å
76N92.6Very high96.1Very high79 Ų7954.7 Ų54.742%0.42226%0.261SS..THydrogen-bonded Turntrans57.327.4-178.2-59.7-23.5000114.7Q73 M152Q73-N76 PolarHBondContact O-N 3.22Å; Q73-N76 VanDerWaalsContact O-N 3.12Å; N76-M152 HydrophobicContact CB-CE 3.64Å
77S94.1Very high96.1Very high5 Ų550.8 Ų50.84%0.03525%0.245CC..  trans-82.1154168.6-176.90000111.4Y62 F72 W75 N79Y62-S77 PolarHBondContact OH-OG 2.85Å; F72-S77 WeakPolarHBondContact CD2-O 3.28Å; F72-S77 PolarHBondContact O-N 2.69Å; F72-S77 VanDerWaalsContact O-N 3.15Å; W75-S77 VanDerWaalsContact CD1-CB 3.5Å; W75-S77 PolarHBondContact O-N 3.22Å; S77-N79 PolarHBondContact OG-N 3.11Å; S77-N79 PolarHBondContact OG-O 2.88Å
78H92.3Very high96Very high178 Ų17849.9 Ų49.982%0.82424%0.235SC*.SBendtrans-104-7175.3-62.585.1000112.9
79N93.6Very high95.6Very high73 Ų7350.3 Ų50.339%0.3923%0.232SC..SBendtrans-144174.7178.36649.6000110.8S77 H81S77-N79 PolarHBondContact OG-N 3.11Å; S77-N79 PolarHBondContact OG-O 2.88Å; N79-H81 WeakPolarHBondContact OD1-CB 3.43Å; N79-H81 PolarHBondContact OD1-N 3.07Å
80D95Very high94.9Very high46 Ų4650.6 Ų50.625%0.24624%0.235CC..SBendtrans-96.320.7179.164.8-13.6000113.2R38 V39 N40 F72R38-D80 CarbonylContact C-O 3.57Å; R38-D80 WeakPolarHBondContact CA-O 3.43Å; R38-D80 HydrophobicContact CG-CB 4.45Å; R38-D80 WeakPolarHBondContact CG-OD2 3.37Å; R38-D80 IonicContact CZ-OD2 2.81Å; R38-D80 IonicContact NE-OD2 3.97Å; R38-D80 PolarHBondContact NE-OD2 3.44Å; R38-D80 IonicContact NH2-OD2 3.52Å; V39-D80 PolarHBondContact N-O 3.17Å; V39-D80 WeakPolarHBondContact O-CA 3.42Å; V39-D80 WeakPolarHBondContact O-CB 3.41Å; N40-D80 PolarHBondContact ND2-OD2 3.04Å; F72-D80 HydrophobicContact CD1-CB 4.04Å; F72-D80 HydrophobicContact CE1-CB 4.38Å
81H96.4Very high94.1Very high78 Ų7853.1 Ų53.136%0.36124%0.243SC..BIsolated β-bridgetrans-91.6126.9-178.4-157.663.9000112.5N37 D53 N79N37-H81 WeakPolarHBondContact CB-CE1 3.42Å; N37-H81 WeakPolarHBondContact O-CA 3.46Å; N37-H81 PolarHBondContact O-ND1 2.77Å; D53-H81 PolarHBondContact O-CD2 3.11Å; N79-H81 WeakPolarHBondContact OD1-CB 3.43Å; N79-H81 PolarHBondContact OD1-N 3.07Å
82M97.6Very high93.3Very high2 Ų251.2 Ų51.21%0.0124%0.239CC..  trans-150.8131.9174.7-166.3175.8-78.100109.9F10 F30 N37 V39 I42 C51 Y52 Y62F10-M82 HydrophobicContact CD1-SD 3.76Å; F10-M82 HydrophobicContact CE1-SD 3.39Å; F10-M82 WeakPolarHBondContact CE1-SD 3.46Å; F10-M82 HydrophobicContact CZ-SD 4.33Å; F30-M82 WeakPolarHBondContact CD2-O 3.4Å; F30-M82 HydrophobicContact CE2-CB 3.92Å; F30-M82 HydrophobicContact CE2-CG 3.6Å; F30-M82 HydrophobicContact CE2-SD 4.03Å; F30-M82 HydrophobicContact CZ-CG 4.06Å; F30-M82 HydrophobicContact CZ-SD 4.27Å; N37-M82 CarbonylContact C-O 3.29Å; N37-M82 WeakPolarHBondContact CA-O 3.31Å; N37-M82 WeakPolarHBondContact CB-O 3.39Å; N37-M82 PolarHBondContact O-N 3.03Å; N37-M82 VanDerWaalsContact O-N 3.13Å; V39-M82 HydrophobicContact CB-CB 4.08Å; V39-M82 HydrophobicContact CG1-SD 4.43Å; V39-M82 HydrophobicContact CG2-CB 3.72Å; V39-M82 HydrophobicContact CG2-SD 4.36Å; I42-M82 HydrophobicContact CD1-CE 3.83Å; I42-M82 HydrophobicContact CD1-SD 4.15Å; C51-M82 HydrophobicContact CB-CE 3.62Å; C51-M82 HydrophobicContact CB-CG 4.26Å; C51-M82 HydrophobicContact CB-SD 3.54Å; C51-M82 VanDerWaalsContact CB-SD 3.54Å; Y52-M82 VanDerWaalsContact O-CG 3.29Å; Y52-M82 WeakPolarHBondContact O-CG 3.23Å; Y62-M82 HydrophobicContact CD2-CE 4.26Å
83G98Very high92.6Very high0 Ų057.1 Ų57.10%027%0.267CS..  trans-119.2-24.4-169.800000115.1N29 F30 Y52 D53N29-G83 WeakPolarHBondContact CA-O 3.19Å; F30-G83 WeakPolarHBondContact CD1-O 3.07Å; F30-G83 WeakPolarHBondContact CG-O 3.22Å; F30-G83 PolarHBondContact N-O 3.25Å; Y52-G83 PolarHBondContact O-N 2.8Å; D53-G83 PolarHBondContact O-N 3.14Å
84S98.7Very high92.4Very high0 Ų059 Ų590%028%0.276CS..EExtended strand (participates in β ladder)trans-154.9160.7-179.162.80000112.9C27 D28 Y52 H54 F57C27-S84 CarbonylContact O-C 3.48Å; C27-S84 WeakPolarHBondContact O-CA 3.37Å; C27-S84 WeakPolarHBondContact O-CB 3.5Å; D28-S84 VanDerWaalsContact O-CB 3.22Å; D28-S84 WeakPolarHBondContact O-CB 3.38Å; Y52-S84 WeakPolarHBondContact CB-OG 3.27Å; Y52-S84 PolarHBondContact N-O 2.79Å; Y52-S84 PolarHBondContact O-N 2.77Å; H54-S84 PolarHBondContact O-N 2.89Å; H54-S84 PolarHBondContact O-OG 2.82Å; F57-S84 WeakPolarHBondContact CA-OG 3.27Å; F57-S84 PolarHBondContact N-OG 2.8Å
85C98.4Very high92.4Very high0 Ų053.8 Ų53.80%026%0.256CS..EExtended strand (participates in β ladder)trans-153.7156.1175.270.30000112.5F10 C27 F30 W49 I50 C51 F57F10-C85 HydrophobicContact CZ-CB 3.86Å; C27-C85 PolarHBondContact N-O 3.15Å; C27-C85 PolarHBondContact O-N 2.9Å; F30-C85 HydrophobicContact CE1-CB 4.22Å; F30-C85 HydrophobicContact CZ-CB 4.12Å; W49-C85 HydrophobicContact CE3-CB 4.39Å; I50-C85 CarbonylContact O-C 3.55Å; I50-C85 WeakPolarHBondContact O-CA 3.25Å; C51-C85 HydrophobicContact CB-CB 4.38Å; F57-C85 WeakPolarHBondContact CE1-O 3.4Å
86K97.2Very high92.5Very high41 Ų4158.4 Ų58.418%0.17827%0.274CS..EExtended strand (participates in β ladder)trans-145.6147.9172.468-171.1-173.2-171.40110.8D26 I50 Y52 F57D26-K86 HydrophobicContact CB-CB 4.44Å; I50-K86 HydrophobicContact CB-CG 4.27Å; I50-K86 PolarHBondContact N-O 3.15Å; I50-K86 PolarHBondContact O-N 3.21Å; Y52-K86 HydrophobicContact CE2-CD 4.34Å; Y52-K86 HydrophobicContact CE2-CG 4.33Å; Y52-K86 WeakPolarHBondContact OH-CE 3.42Å; Y52-K86 PolarHBondContact OH-NZ 2.92Å; Y52-K86 VanDerWaalsContact OH-NZ 3.16Å; F57-K86 HydrophobicContact CD1-CB 4.46Å; F57-K86 HydrophobicContact CD1-CD 4.29Å; F57-K86 HydrophobicContact CE1-CB 4.1Å; F57-K86 HydrophobicContact CG-CD 4.45Å
87P96.1Very high92.7Very high22 Ų2254.7 Ų54.714%0.14325%0.253CS..EExtended strand (participates in β ladder)trans-69.3148.7175.530.2-35.4000111.2D26 W49D26-P87 WeakPolarHBondContact OD1-CD 3.21Å; W49-P87 HydrophobicContact CD2-CB 4.39Å; W49-P87 HydrophobicContact CE3-CB 4.32Å; W49-P87 HydrophobicContact CH2-CB 4.39Å; W49-P87 HydrophobicContact CZ2-CB 4.45Å; W49-P87 HydrophobicContact CZ3-CB 4.32Å
88I94.1Very high92.8Very high2 Ų255.4 Ų55.41%0.0126%0.256CS..  trans-70.4126.7164.5-63.5-72.9000107.9A48 I50 I63 M90 A139 I154 E156 V179 N181A48-I88 HydrophobicContact CB-CB 4.16Å; A48-I88 HydrophobicContact CB-CG1 3.87Å; A48-I88 WeakPolarHBondContact O-CB 3.25Å; A48-I88 PolarHBondContact O-N 2.81Å; I50-I88 HydrophobicContact CD1-CD1 3.62Å; I50-I88 HydrophobicContact CG1-CD1 3.38Å; I50-I88 HydrophobicContact CG1-CG1 4.19Å; I63-I88 HydrophobicContact CD1-CD1 4Å; I63-I88 HydrophobicContact CD1-CG1 4Å; I88-M90 HydrophobicContact CG2-CB 3.96Å; I88-A139 HydrophobicContact CD1-CB 4.23Å; I88-A139 HydrophobicContact CG2-CB 3.77Å; I88-I154 HydrophobicContact CD1-CG2 3.79Å; I88-E156 HydrophobicContact CD1-CG 4.47Å; I88-V179 HydrophobicContact CG1-CG1 4.35Å; I88-N181 PolarHBondContact O-ND2 3.18Å
89R88.8Confident93.1Very high130 Ų13047 Ų4749%0.49122%0.217SC..  trans-88.5-11.4-177.5-61.2-174.9170.994.44.1113D26 E156D26-R89 IonicContact OD1-NH2 3.55Å; D26-R89 PolarHBondContact OD1-NH2 2.82Å; D26-R89 IonicContact OD2-CZ 3.93Å; D26-R89 IonicContact OD2-NH2 3.54Å; D26-R89 PolarHBondContact OD2-NH2 3.2Å; R89-E156 PolarHBondContact N-OE1 2.88Å
90M84.9Confident93.2Very high38 Ų3844 Ų4419%0.18720%0.201CC..  trans-90.3128.8-176.4-67.2-56137.900111.1I88 D137 A139 E156 R157 N181I88-M90 HydrophobicContact CG2-CB 3.96Å; M90-D137 CarbonylContact C-O 3.58Å; M90-D137 WeakPolarHBondContact CA-O 3.35Å; M90-D137 WeakPolarHBondContact CB-O 3.17Å; M90-A139 HydrophobicContact CB-CB 4.06Å; M90-A139 HydrophobicContact CG-CB 4.43Å; M90-E156 HydrophobicContact CE-CB 4.38Å; M90-E156 HydrophobicContact CG-CB 3.89Å; M90-E156 HydrophobicContact CG-CG 4.12Å; M90-R157 HydrophobicContact CE-CB 3.84Å; M90-R157 HydrophobicContact SD-CB 3.78Å; M90-N181 PolarHBondContact O-ND2 2.86Å
91H80.8Confident93.1Very high88 Ų8844.1 Ų44.141%0.40720%0.2SC..  trans-84.2-21.9-174-65.8-74.4000114.2D137 F183H91-D137 PolarHBondContact N-O 2.94Å; H91-D137 VanDerWaalsContact N-O 3.11Å; H91-F183 AromaticContact CE1-CD2 3.81Å; H91-F183 AromaticContact CE1-CE2 3.59Å; H91-F183 AromaticContact ND1-CD2 3.15Å; H91-F183 WeakPolarHBondContact ND1-CD2 3.4Å; H91-F183 AromaticContact ND1-CE2 3.1Å; H91-F183 WeakPolarHBondContact ND1-CE2 3.31Å
92G79.8Confident93Very high17 Ų1742 Ų4218%0.17520%0.196CC..  trans87.336.1170.700000116.1Y95 D137G92-Y95 VanDerWaalsContact CA-OH 3.31Å; G92-Y95 WeakPolarHBondContact CA-OH 3.46Å; G92-Y95 WeakPolarHBondContact O-CE2 3.5Å; G92-Y95 PolarHBondContact O-OH 3.4Å; G92-D137 PolarHBondContact N-O 2.95Å
93E81.6Confident92.9Very high151 Ų15144.2 Ų44.271%0.70621%0.211SC*.SBendtrans-89.3-33.9173.9-62.8-167.9155.300112.5D137E93-D137 PolarHBondContact N-OD1 3.5Å; E93-D137 PolarHBondContact N-OD2 2.74Å
94H90.4Very high92.9Very high124 Ų12449.7 Ų49.757%0.57424%0.241SC*.SBendtrans-127.299.1-174.8-60.3-58.5000111.6G136 D137 G138H94-G136 WeakPolarHBondContact O-CA 3.21Å; H94-D137 WeakPolarHBondContact CB-OD1 3.41Å; H94-D137 IonicContact CD2-OD1 3.28Å; H94-D137 IonicContact CG-OD1 3.51Å; H94-D137 PolarHBondContact N-OD1 2.71Å; H94-D137 PolarHBondContact O-N 3.48Å; H94-G138 PolarHBondContact O-N 3.22Å
95Y95.1Very high92.8Very high47 Ų4751.6 Ų51.618%0.18425%0.249CC..EExtended strand (participates in β ladder)trans-95116.8178.5-65.5-86.4000111.4G92 A139 W140 R178 V179G92-Y95 VanDerWaalsContact CA-OH 3.31Å; G92-Y95 WeakPolarHBondContact CA-OH 3.46Å; G92-Y95 WeakPolarHBondContact O-CE2 3.5Å; G92-Y95 PolarHBondContact O-OH 3.4Å; Y95-A139 WeakPolarHBondContact CE1-O 3.2Å; Y95-W140 HydrophobicContact CD1-CZ2 4.38Å; Y95-W140 HydrophobicContact CG-CZ2 4.46Å; Y95-R178 HydrophobicContact CD1-CB 3.72Å; Y95-R178 HydrophobicContact CD1-CG 3.45Å; Y95-R178 VanDerWaalsContact CD1-CG 3.45Å; Y95-R178 HydrophobicContact CD2-CG 4.21Å; Y95-R178 HydrophobicContact CE1-CB 3.57Å; Y95-R178 HydrophobicContact CE1-CG 3.88Å; Y95-R178 HydrophobicContact CE2-CB 4.49Å; Y95-R178 HydrophobicContact CG-CB 4.26Å; Y95-R178 VanDerWaalsContact CG-CD 3.49Å; Y95-R178 HydrophobicContact CG-CG 3.64Å; Y95-V179 PolarHBondContact OH-O 3.15Å
96R96.3Very high92.7Very high106 Ų10654.4 Ų54.440%0.427%0.269SS..EExtended strand (participates in β ladder)trans-150.5132.6165.7179.1-177177-159.3-0.6110.4D111 I112 Y135R96-D111 IonicContact CZ-OD1 3.31Å; R96-D111 VanDerWaalsContact CZ-OD1 3.31Å; R96-D111 IonicContact NE-OD1 2.9Å; R96-D111 PolarHBondContact NE-OD1 2.8Å; R96-D111 IonicContact NH2-OD1 2.77Å; R96-D111 PolarHBondContact NH2-OD1 3.29Å; R96-D111 IonicContact NH2-OD2 3.29Å; R96-I112 WeakPolarHBondContact CA-O 3.47Å; R96-Y135 HydrophobicContact CG-CD2 4.03Å; R96-Y135 PolarHBondContact O-N 3.16Å
97I97.6Very high92.5Very high0 Ų055.2 Ų55.20%029%0.289CS..EExtended strand (participates in β ladder)trans-136.2137.3175.4-172.8172.7000110.1L99 D111 I112 V132 R133 V134 W140 V155 I176I97-L99 HydrophobicContact CD1-CD2 3.78Å; I97-L99 HydrophobicContact CG1-CD2 3.87Å; I97-D111 CarbonylContact O-C 3.58Å; I97-I112 HydrophobicContact CG2-CB 3.76Å; I97-I112 HydrophobicContact CG2-CG2 4.29Å; I97-I112 PolarHBondContact N-O 3.29Å; I97-I112 PolarHBondContact O-N 2.87Å; I97-V132 HydrophobicContact CD1-CG1 3.51Å; I97-V132 HydrophobicContact CG1-CG1 3.62Å; I97-R133 CarbonylContact C-O 3.56Å; I97-R133 WeakPolarHBondContact CA-O 3.42Å; I97-V134 HydrophobicContact CD1-CG2 3.92Å; I97-V134 HydrophobicContact CG1-CG2 4.01Å; I97-W140 HydrophobicContact CB-CD2 4.16Å; I97-W140 HydrophobicContact CB-CG 4.27Å; I97-W140 HydrophobicContact CB-CZ2 4.16Å; I97-W140 HydrophobicContact CD1-CB 4.15Å; I97-W140 HydrophobicContact CD1-CG 4.04Å; I97-W140 HydrophobicContact CG2-CD2 3.7Å; I97-W140 HydrophobicContact CG2-CE3 4.03Å; I97-W140 HydrophobicContact CG2-CG 4.24Å; I97-W140 HydrophobicContact CG2-CH2 3.95Å; I97-W140 HydrophobicContact CG2-CZ2 3.62Å; I97-W140 HydrophobicContact CG2-CZ3 4.15Å; I97-V155 HydrophobicContact CD1-CG2 3.93Å; I97-I176 HydrophobicContact CD1-CD1 3.64Å; I97-I176 HydrophobicContact CG2-CD1 3.79Å
98E97.2Very high92.3Very high21 Ų2158.1 Ų58.110%0.09830%0.3CS..EExtended strand (participates in β ladder)trans-111.6123.3174.4-170.1-178-158.800108.7F100 C109 M110 V132 R133 Y135E98-F100 HydrophobicContact CB-CE2 3.99Å; E98-F100 HydrophobicContact CB-CZ 4.48Å; E98-F100 HydrophobicContact CG-CD2 4.3Å; E98-F100 HydrophobicContact CG-CE1 4.45Å; E98-F100 HydrophobicContact CG-CE2 3.52Å; E98-F100 HydrophobicContact CG-CZ 3.63Å; E98-F100 WeakPolarHBondContact OE1-CZ 3.32Å; E98-F100 WeakPolarHBondContact OE2-CE2 3.21Å; E98-F100 WeakPolarHBondContact OE2-CZ 3.45Å; E98-C109 HydrophobicContact CG-CB 4.23Å; E98-C109 PolarHBondContact OE1-SG 3.33Å; E98-C109 VanDerWaalsContact OE1-SG 3.38Å; E98-M110 WeakPolarHBondContact CA-O 3.4Å; E98-V132 WeakPolarHBondContact O-CA 3.39Å; E98-R133 HydrophobicContact CB-CB 4.37Å; E98-R133 PolarHBondContact N-O 3.39Å; E98-R133 PolarHBondContact O-N 2.99Å; E98-R133 IonicContact OE2-NH1 2.84Å; E98-Y135 HydrophobicContact CB-CE2 3.91Å; E98-Y135 PolarHBondContact OE2-OH 2.83Å
99L96.5Very high92.2Very high1 Ų160.8 Ų60.81%0.00532%0.319CS..EExtended strand (participates in β ladder)trans-105140.9179.6-52.4-178.5000109.8I97 C109 M110 I112 L119 I129 V132 M142I97-L99 HydrophobicContact CD1-CD2 3.78Å; I97-L99 HydrophobicContact CG1-CD2 3.87Å; L99-C109 CarbonylContact O-C 3.56Å; L99-C109 WeakPolarHBondContact O-CA 3.43Å; L99-C109 WeakPolarHBondContact O-CB 3.36Å; L99-M110 PolarHBondContact N-O 2.88Å; L99-M110 PolarHBondContact O-N 3.02Å; L99-I112 HydrophobicContact CD1-CD1 3.56Å; L99-I112 HydrophobicContact CG-CD1 4.22Å; L99-L119 HydrophobicContact CD1-CD1 4.04Å; L99-L119 HydrophobicContact CD1-CD2 4Å; L99-I129 HydrophobicContact CB-CD1 4Å; L99-I129 HydrophobicContact CB-CG2 4.1Å; L99-I129 HydrophobicContact CD1-CD1 4.23Å; L99-I129 HydrophobicContact CD1-CG1 4.38Å; L99-I129 HydrophobicContact CD2-CG2 4.2Å; L99-V132 HydrophobicContact CD2-CG1 4.17Å; L99-V132 HydrophobicContact CD2-CG2 3.84Å; L99-M142 HydrophobicContact CD2-SD 4.28Å
100F95.8Very high92.4Very high9 Ų955.8 Ų55.84%0.03930%0.301CS..EExtended strand (participates in β ladder)trans-126.6142.1-176.8-65.9-96.3000112.6E98 A102 F105 C109 N130 S131 R133E98-F100 HydrophobicContact CB-CE2 3.99Å; E98-F100 HydrophobicContact CB-CZ 4.48Å; E98-F100 HydrophobicContact CG-CD2 4.3Å; E98-F100 HydrophobicContact CG-CE1 4.45Å; E98-F100 HydrophobicContact CG-CE2 3.52Å; E98-F100 HydrophobicContact CG-CZ 3.63Å; E98-F100 WeakPolarHBondContact OE1-CZ 3.32Å; E98-F100 WeakPolarHBondContact OE2-CE2 3.21Å; E98-F100 WeakPolarHBondContact OE2-CZ 3.45Å; F100-A102 VanDerWaalsContact C-N 3.34Å; F100-A102 PolarHBondContact O-N 3.03Å; F100-F105 HydrophobicContact CD1-CB 4.14Å; F100-F105 HydrophobicContact CD2-CB 4.28Å; F100-F105 AromaticContact CD2-CD1 3.94Å; F100-F105 HydrophobicContact CD2-CD1 3.94Å; F100-F105 HydrophobicContact CE1-CB 3.82Å; F100-F105 WeakPolarHBondContact CE1-O 3.41Å; F100-F105 HydrophobicContact CE2-CB 3.98Å; F100-F105 AromaticContact CE2-CD1 3.8Å; F100-F105 HydrophobicContact CE2-CD1 3.8Å; F100-F105 HydrophobicContact CE2-CG 4.34Å; F100-F105 HydrophobicContact CG-CB 4.33Å; F100-F105 HydrophobicContact CZ-CB 3.72Å; F100-F105 HydrophobicContact CZ-CD1 4.37Å; F100-F105 HydrophobicContact CZ-CG 4.48Å; F100-C109 HydrophobicContact CD1-CB 3.56Å; F100-C109 HydrophobicContact CE1-CB 3.6Å; F100-C109 HydrophobicContact CG-CB 4.2Å; F100-C109 HydrophobicContact CZ-CB 4.26Å; F100-N130 PolarHBondContact O-N 3.31Å; F100-S131 VanDerWaalsContact CB-OG 3.25Å; F100-S131 WeakPolarHBondContact CB-OG 3.21Å; F100-S131 PolarHBondContact N-O 2.93Å; F100-S131 PolarHBondContact O-N 3.45Å; F100-R133 HydrophobicContact CE2-CG 4.04Å
101E93.4Very high92.9Very high49 Ų4957.7 Ų57.723%0.22931%0.312CS..EExtended strand (participates in β ladder)trans-68.1-32.5178.8-171.7-171.8-178.600112.3Q108 F124 K126 N130E101-Q108 HydrophobicContact CB-CB 4.31Å; E101-Q108 PolarHBondContact N-O 3.37Å; E101-F124 HydrophobicContact CB-CZ 3.88Å; E101-K126 WeakPolarHBondContact OE1-CD 3.44Å; E101-K126 WeakPolarHBondContact OE1-CE 3.43Å; E101-K126 IonicContact OE1-NZ 2.69Å; E101-K126 PolarHBondContact OE1-NZ 2.85Å; E101-N130 WeakPolarHBondContact O-CB 3.36Å; E101-N130 PolarHBondContact O-ND2 3.48Å
102A94.6Very high93.5Very high34 Ų3454.1 Ų54.128%0.28130%0.296SS..EExtended strand (participates in β ladder)trans-118.9165.6-179.100000112.3F100 S106 N130 S131F100-A102 VanDerWaalsContact C-N 3.34Å; F100-A102 PolarHBondContact O-N 3.03Å; A102-S106 WeakPolarHBondContact CB-O 3.19Å; A102-S106 VanDerWaalsContact CB-OG 3.26Å; A102-S106 WeakPolarHBondContact CB-OG 3.4Å; A102-S106 PolarHBondContact N-O 3.03Å; A102-S106 VanDerWaalsContact N-O 3.12Å; A102-N130 VanDerWaalsContact C-CB 3.48Å; A102-S131 PolarHBondContact O-OG 2.69Å
103C96.4Very high94.3Very high48 Ų4856.5 Ų56.532%0.32431%0.309SS..G310 helixtrans-63.3163175.4-61.10000111.2F105 S106 C161C103-F105 PolarHBondContact O-N 3.36Å; C103-S106 PolarHBondContact O-OG 3.09Å; C103-C161 WeakPolarHBondContact CA-O 3.4Å; C103-C161 WeakPolarHBondContact CB-O 3.32Å
104N97.4Very high94.9Very high116 Ų11653.4 Ų53.462%0.6230%0.297SS*.G310 helixtrans55.135.2176.3-53.8-57.8000113.9S106 C161N104-S106 PolarHBondContact O-N 3.32Å; N104-C161 PolarHBondContact N-O 2.78Å
105F96.8Very high95.3Very high40 Ų4050.4 Ų50.418%0.17529%0.285CS..G310 helixtrans6244.2173.4-38.4-64.8000113.5F100 C103 S131 V132 R133 N159 Y160 C161F100-F105 HydrophobicContact CD1-CB 4.14Å; F100-F105 HydrophobicContact CD2-CB 4.28Å; F100-F105 AromaticContact CD2-CD1 3.94Å; F100-F105 HydrophobicContact CD2-CD1 3.94Å; F100-F105 HydrophobicContact CE1-CB 3.82Å; F100-F105 WeakPolarHBondContact CE1-O 3.41Å; F100-F105 HydrophobicContact CE2-CB 3.98Å; F100-F105 AromaticContact CE2-CD1 3.8Å; F100-F105 HydrophobicContact CE2-CD1 3.8Å; F100-F105 HydrophobicContact CE2-CG 4.34Å; F100-F105 HydrophobicContact CG-CB 4.33Å; F100-F105 HydrophobicContact CZ-CB 3.72Å; F100-F105 HydrophobicContact CZ-CD1 4.37Å; F100-F105 HydrophobicContact CZ-CG 4.48Å; C103-F105 PolarHBondContact O-N 3.36Å; F105-S131 VanDerWaalsContact CA-OG 3.27Å; F105-S131 WeakPolarHBondContact CA-OG 3.49Å; F105-S131 PolarHBondContact N-OG 2.9Å; F105-V132 WeakPolarHBondContact CE1-O 3.39Å; F105-R133 HydrophobicContact CD1-CG 3.51Å; F105-R133 VanDerWaalsContact CD2-NH2 3.31Å; F105-R133 HydrophobicContact CE1-CG 3.49Å; F105-R133 VanDerWaalsContact CE1-CG 3.49Å; F105-R133 HydrophobicContact CG-CG 4.26Å; F105-R133 VanDerWaalsContact CG-NE 3.27Å; F105-R133 VanDerWaalsContact CG-NH2 3.3Å; F105-R133 HydrophobicContact CZ-CG 4.21Å; F105-N159 HydrophobicContact CE1-CB 4.45Å; F105-N159 HydrophobicContact CE2-CB 4.37Å; F105-N159 HydrophobicContact CZ-CB 3.71Å; F105-Y160 WeakPolarHBondContact CE1-O 3.47Å; F105-C161 WeakPolarHBondContact CE2-SG 3.34Å; F105-C161 HydrophobicContact CZ-CB 4.32Å; F105-C161 WeakPolarHBondContact CZ-SG 3.26Å
106S95.2Very high95.3Very high59 Ų5948.3 Ų48.341%0.41328%0.277SS..EExtended strand (participates in β ladder)trans-121.1167.7-177.965.70000112.1A102 C103 N104A102-S106 WeakPolarHBondContact CB-O 3.19Å; A102-S106 VanDerWaalsContact CB-OG 3.26Å; A102-S106 WeakPolarHBondContact CB-OG 3.4Å; A102-S106 PolarHBondContact N-O 3.03Å; A102-S106 VanDerWaalsContact N-O 3.12Å; C103-S106 PolarHBondContact O-OG 3.09Å; N104-S106 PolarHBondContact O-N 3.32Å
107G92.8Very high95.4Very high58 Ų5845.9 Ų45.960%0.59828%0.275SS*.EExtended strand (participates in β ladder)trans79.8-160.2-177.700000113.2
108Q91.9Very high95.2Very high82 Ų8249.4 Ų49.438%0.38329%0.291SS..EExtended strand (participates in β ladder)trans-62.8136.8174.5-173.3-1795.700109.9E101 G123 F124E101-Q108 HydrophobicContact CB-CB 4.31Å; E101-Q108 PolarHBondContact N-O 3.37Å; Q108-G123 PolarHBondContact NE2-O 3.13Å; Q108-F124 HydrophobicContact CB-CE2 4.44Å; Q108-F124 HydrophobicContact CG-CE2 4.15Å
109C92.8Very high95Very high59 Ų5948.6 Ų48.640%0.39929%0.287SS..EExtended strand (participates in β ladder)trans-123.2162.117473.90000112.7E98 L99 F100E98-C109 HydrophobicContact CG-CB 4.23Å; E98-C109 PolarHBondContact OE1-SG 3.33Å; E98-C109 VanDerWaalsContact OE1-SG 3.38Å; L99-C109 CarbonylContact O-C 3.56Å; L99-C109 WeakPolarHBondContact O-CA 3.43Å; L99-C109 WeakPolarHBondContact O-CB 3.36Å; F100-C109 HydrophobicContact CD1-CB 3.56Å; F100-C109 HydrophobicContact CE1-CB 3.6Å; F100-C109 HydrophobicContact CG-CB 4.2Å; F100-C109 HydrophobicContact CZ-CB 4.26Å
110M92.8Very high94.6Very high25 Ų2552.5 Ų52.512%0.12331%0.305CS..EExtended strand (participates in β ladder)trans-144.1124.6176.5-179.7177.2-68.400110.4E98 L99 I112 R122 F124E98-M110 WeakPolarHBondContact CA-O 3.4Å; L99-M110 PolarHBondContact N-O 2.88Å; L99-M110 PolarHBondContact O-N 3.02Å; M110-I112 HydrophobicContact CG-CG1 4.1Å; M110-I112 HydrophobicContact SD-CD1 4.3Å; M110-I112 HydrophobicContact SD-CG1 4.31Å; M110-R122 VanDerWaalsContact CE-C 3.48Å; M110-R122 HydrophobicContact CE-CB 3.53Å; M110-R122 WeakPolarHBondContact CE-O 3.49Å; M110-R122 HydrophobicContact SD-CB 3.56Å; M110-R122 VanDerWaalsContact SD-CB 3.56Å; M110-R122 HydrophobicContact SD-CG 4.43Å; M110-F124 HydrophobicContact CB-CD2 4.15Å; M110-F124 HydrophobicContact CB-CE2 4.43Å; M110-F124 HydrophobicContact CE-CB 3.76Å; M110-F124 HydrophobicContact CE-CD2 3.99Å; M110-F124 HydrophobicContact CE-CG 4.31Å
111D94.9Very high94.3Very high78 Ų7856 Ų5642%0.41733%0.331SS..EExtended strand (participates in β ladder)trans-82.8135.8168.3-82-75.1000110.9R96 I97R96-D111 IonicContact CZ-OD1 3.31Å; R96-D111 VanDerWaalsContact CZ-OD1 3.31Å; R96-D111 IonicContact NE-OD1 2.9Å; R96-D111 PolarHBondContact NE-OD1 2.8Å; R96-D111 IonicContact NH2-OD1 2.77Å; R96-D111 PolarHBondContact NH2-OD1 3.29Å; R96-D111 IonicContact NH2-OD2 3.29Å; I97-D111 CarbonylContact O-C 3.58Å
112I95.1Very high93.8Very high13 Ų1361.3 Ų61.37%0.06735%0.349CS..EExtended strand (participates in β ladder)trans-131.1129.5177.2-58179.9000109R96 I97 L99 M110 D114 L119 W140 I176R96-I112 WeakPolarHBondContact CA-O 3.47Å; I97-I112 HydrophobicContact CG2-CB 3.76Å; I97-I112 HydrophobicContact CG2-CG2 4.29Å; I97-I112 PolarHBondContact N-O 3.29Å; I97-I112 PolarHBondContact O-N 2.87Å; L99-I112 HydrophobicContact CD1-CD1 3.56Å; L99-I112 HydrophobicContact CG-CD1 4.22Å; M110-I112 HydrophobicContact CG-CG1 4.1Å; M110-I112 HydrophobicContact SD-CD1 4.3Å; M110-I112 HydrophobicContact SD-CG1 4.31Å; I112-D114 WeakPolarHBondContact CG2-O 3.32Å; I112-L119 HydrophobicContact CD1-CD2 3.4Å; I112-W140 HydrophobicContact CG2-CH2 3.91Å; I112-W140 HydrophobicContact CG2-CZ3 3.98Å; I112-W140 WeakPolarHBondContact O-CZ2 3.46Å; I112-I176 HydrophobicContact CD1-CG2 3.73Å; I112-I176 HydrophobicContact CG2-CG2 4.24Å
113C95.3Very high92.9Very high66 Ų6662 Ų6245%0.44636%0.359SS..  trans-119.5-11.9177-57.60000113
114D95.4Very high91.9Very high87 Ų8759.9 Ų59.947%0.46535%0.345SS..SBendtrans-132.5167.1-178.4-69.4-67.1000111.1I112 C116 R178I112-D114 WeakPolarHBondContact CG2-O 3.32Å; D114-C116 PolarHBondContact O-N 2.84Å; D114-R178 IonicContact OD1-CZ 3.53Å; D114-R178 IonicContact OD1-NH1 2.81Å; D114-R178 PolarHBondContact OD1-NH1 3.47Å; D114-R178 IonicContact OD1-NH2 3.76Å
115D97.2Very high90.6Very high60 Ų6058.7 Ų58.732%0.32135%0.345SS..  trans-59.7134.2177.4-48-41.2000110.5F148 R177 R178D115-F148 HydrophobicContact CB-CZ 4.2Å; D115-R177 HydrophobicContact CB-CB 3.97Å; D115-R177 VanDerWaalsContact OD1-CA 3.31Å; D115-R177 WeakPolarHBondContact OD1-CA 3.22Å; D115-R177 WeakPolarHBondContact OD1-CB 3.29Å; D115-R178 WeakPolarHBondContact OD1-CB 3.46Å; D115-R178 WeakPolarHBondContact OD1-CG 3.49Å; D115-R178 IonicContact OD1-CZ 3.91Å; D115-R178 PolarHBondContact OD1-N 3.43Å; D115-R178 IonicContact OD1-NE 3.14Å; D115-R178 PolarHBondContact OD1-NE 3.07Å; D115-R178 VanDerWaalsContact OD1-NE 3.14Å; D115-R178 IonicContact OD1-NH2 3.86Å; D115-R178 IonicContact OD2-CZ 3.68Å; D115-R178 IonicContact OD2-NE 3.57Å; D115-R178 IonicContact OD2-NH2 2.91Å; D115-R178 PolarHBondContact OD2-NH2 3.45Å
116C96.6Very high89.8Confident3 Ų362.1 Ų62.12%0.0236%0.36CS..BIsolated β-bridgetrans-125.4101.5178.9-1720000109.4D114 F118 L119 S175 I176D114-C116 PolarHBondContact O-N 2.84Å; C116-F118 PolarHBondContact O-N 3.5Å; C116-L119 HydrophobicContact CB-CD2 4.25Å; C116-S175 VanDerWaalsContact O-CA 3.29Å; C116-S175 WeakPolarHBondContact O-CA 3.15Å; C116-S175 WeakPolarHBondContact O-CB 3.34Å; C116-I176 HydrophobicContact CB-CG2 3.82Å; C116-I176 PolarHBondContact N-O 2.75Å; C116-I176 PolarHBondContact O-N 3.37Å
117P96.8Very high89Confident55 Ų5560.5 Ų60.536%0.35735%0.349SS..SBendtrans-71.6-13.7-179.929.3-35.3000112.9P146 N147 F148 S175P117-P146 CarbonylContact O-C 3.56Å; P117-P146 WeakPolarHBondContact O-CA 3.12Å; P117-N147 PolarHBondContact O-N 3.01Å; P117-F148 HydrophobicContact CB-CE1 4.35Å; P117-F148 HydrophobicContact CB-CE2 4.22Å; P117-F148 HydrophobicContact CB-CZ 3.84Å; P117-S175 VanDerWaalsContact O-CB 3.26Å; P117-S175 WeakPolarHBondContact O-CB 3.48Å
118F94.9Very high88.8Confident74 Ų7460 Ų6033%0.32534%0.335SS..  trans-155.4102.3178.2-173.9-133.8000112C116 Q120 S121 P146 Q174C116-F118 PolarHBondContact O-N 3.5Å; F118-Q120 VanDerWaalsContact C-N 3.31Å; F118-Q120 HydrophobicContact CD1-CB 4.45Å; F118-Q120 HydrophobicContact CE1-CB 3.84Å; F118-Q120 HydrophobicContact CE2-CB 3.97Å; F118-Q120 HydrophobicContact CE2-CG 4.06Å; F118-Q120 HydrophobicContact CZ-CB 3.59Å; F118-Q120 HydrophobicContact CZ-CG 4.03Å; F118-Q120 VanDerWaalsContact CZ-OE1 3.25Å; F118-Q120 PolarHBondContact O-N 2.77Å; F118-S121 WeakPolarHBondContact O-CB 3.34Å; F118-S121 PolarHBondContact O-N 2.89Å; F118-S121 VanDerWaalsContact O-N 3.16Å; F118-S121 PolarHBondContact O-OG 3.11Å; F118-P146 HydrophobicContact CD2-CB 3.98Å; F118-P146 HydrophobicContact CD2-CG 3.86Å; F118-P146 HydrophobicContact CE2-CG 4.07Å; F118-Q174 CarbonylContact C-O 3.51Å; F118-Q174 WeakPolarHBondContact CA-O 3.1Å
119L92.7Very high89Confident4 Ų456 Ų562%0.02132%0.317CS..G310 helixtrans-61-34.8-174-73.5175.8000113.7L99 I112 C116 S121 R122 I173 Q174 I176L99-L119 HydrophobicContact CD1-CD1 4.04Å; L99-L119 HydrophobicContact CD1-CD2 4Å; I112-L119 HydrophobicContact CD1-CD2 3.4Å; C116-L119 HydrophobicContact CB-CD2 4.25Å; L119-S121 PolarHBondContact O-N 2.8Å; L119-R122 WeakPolarHBondContact O-CB 3.1Å; L119-R122 PolarHBondContact O-N 3.06Å; L119-I173 HydrophobicContact CD1-CB 4.36Å; L119-I173 HydrophobicContact CD1-CG2 3.84Å; L119-Q174 PolarHBondContact N-O 3.25Å; L119-I176 HydrophobicContact CD2-CG2 3.95Å
120Q88.8Confident89.1Confident83 Ų8355 Ų5539%0.38831%0.307SS..G310 helixtrans-64.3-27.6-179.6-61.5-178.7-6.300112.4F118 R122 G123 F124F118-Q120 VanDerWaalsContact C-N 3.31Å; F118-Q120 HydrophobicContact CD1-CB 4.45Å; F118-Q120 HydrophobicContact CE1-CB 3.84Å; F118-Q120 HydrophobicContact CE2-CB 3.97Å; F118-Q120 HydrophobicContact CE2-CG 4.06Å; F118-Q120 HydrophobicContact CZ-CB 3.59Å; F118-Q120 HydrophobicContact CZ-CG 4.03Å; F118-Q120 VanDerWaalsContact CZ-OE1 3.25Å; F118-Q120 PolarHBondContact O-N 2.77Å; Q120-R122 PolarHBondContact O-N 2.81Å; Q120-R122 VanDerWaalsContact O-N 3.17Å; Q120-G123 PolarHBondContact O-N 2.77Å; Q120-G123 VanDerWaalsContact O-N 3.12Å; Q120-F124 WeakPolarHBondContact CA-O 3.41Å; Q120-F124 WeakPolarHBondContact CG-O 3.24Å
121S88.1Confident89.4Confident84 Ų8453.8 Ų53.859%0.58730%0.302SS*.G310 helixtrans-63.6-18.5173.871.60000113.5F118 L119F118-S121 WeakPolarHBondContact O-CB 3.34Å; F118-S121 PolarHBondContact O-N 2.89Å; F118-S121 VanDerWaalsContact O-N 3.16Å; F118-S121 PolarHBondContact O-OG 3.11Å; L119-S121 PolarHBondContact O-N 2.8Å
122R83.9Confident89.5Confident160 Ų16050 Ų5060%0.60428%0.282SS*.G310 helixtrans-944.6178.6-64.1-70.4-170144.83.6113.1M110 L119 Q120M110-R122 VanDerWaalsContact CE-C 3.48Å; M110-R122 HydrophobicContact CE-CB 3.53Å; M110-R122 WeakPolarHBondContact CE-O 3.49Å; M110-R122 HydrophobicContact SD-CB 3.56Å; M110-R122 VanDerWaalsContact SD-CB 3.56Å; M110-R122 HydrophobicContact SD-CG 4.43Å; L119-R122 WeakPolarHBondContact O-CB 3.1Å; L119-R122 PolarHBondContact O-N 3.06Å; Q120-R122 PolarHBondContact O-N 2.81Å; Q120-R122 VanDerWaalsContact O-N 3.17Å
123G75.6Confident89.7Confident48 Ų4852.8 Ų52.850%0.49529%0.291SS..THydrogen-bonded Turntrans94.711.5176.900000115.1Q108 Q120 S125Q108-G123 PolarHBondContact NE2-O 3.13Å; Q120-G123 PolarHBondContact O-N 2.77Å; Q120-G123 VanDerWaalsContact O-N 3.12Å; G123-S125 PolarHBondContact O-N 2.88Å
124F75.1Confident89.8Confident4 Ų449.8 Ų49.82%0.01827%0.271CS..  trans-83.8100.3169.5-139-108.5000108.7E101 Q108 M110 Q120 K126 I129E101-F124 HydrophobicContact CB-CZ 3.88Å; Q108-F124 HydrophobicContact CB-CE2 4.44Å; Q108-F124 HydrophobicContact CG-CE2 4.15Å; M110-F124 HydrophobicContact CB-CD2 4.15Å; M110-F124 HydrophobicContact CB-CE2 4.43Å; M110-F124 HydrophobicContact CE-CB 3.76Å; M110-F124 HydrophobicContact CE-CD2 3.99Å; M110-F124 HydrophobicContact CE-CG 4.31Å; Q120-F124 WeakPolarHBondContact CA-O 3.41Å; Q120-F124 WeakPolarHBondContact CG-O 3.24Å; F124-K126 VanDerWaalsContact C-N 3.29Å; F124-K126 WeakPolarHBondContact CD1-O 3.36Å; F124-K126 PolarHBondContact O-N 2.87Å; F124-I129 HydrophobicContact CD1-CD1 3.68Å; F124-I129 HydrophobicContact CE1-CD1 3.26Å; F124-I129 HydrophobicContact CZ-CD1 3.82Å
125S70.8Confident89.8Confident90 Ų9049 Ų4963%0.62926%0.262SS*.  trans-70.1-23.7-170.461.70000114.1G123G123-S125 PolarHBondContact O-N 2.88Å
126K78.4Confident89.5Confident112 Ų11247.6 Ų47.649%0.48726%0.261SS..SBendtrans-113.4147.6176.4-61.3-180-170.1161.40108.8E101 F124 C128E101-K126 WeakPolarHBondContact OE1-CD 3.44Å; E101-K126 WeakPolarHBondContact OE1-CE 3.43Å; E101-K126 IonicContact OE1-NZ 2.69Å; E101-K126 PolarHBondContact OE1-NZ 2.85Å; F124-K126 VanDerWaalsContact C-N 3.29Å; F124-K126 WeakPolarHBondContact CD1-O 3.36Å; F124-K126 PolarHBondContact O-N 2.87Å; K126-C128 VanDerWaalsContact C-N 3.25Å; K126-C128 PolarHBondContact O-N 2.94Å
127S79.4Confident89.2Confident26 Ų2649.1 Ų49.118%0.18227%0.269CS..  trans-85.25.7174.552.60000113.7I129 N172 I173S127-I129 PolarHBondContact O-N 2.72Å; S127-N172 WeakPolarHBondContact CB-OD1 3.35Å; S127-N172 CarbonylContact O-C 3.58Å; S127-N172 VanDerWaalsContact O-CA 3.3Å; S127-N172 WeakPolarHBondContact O-CA 3.34Å; S127-N172 PolarHBondContact OG-OD1 3.04Å; S127-I173 PolarHBondContact O-N 3.34Å; S127-I173 VanDerWaalsContact O-O 3.13Å
128C88.9Confident89Confident46 Ų4646.5 Ų46.531%0.31125%0.252SS..BIsolated β-bridgetrans-85.6106.6-176.5-58.90000111.3K126 P171K126-C128 VanDerWaalsContact C-N 3.25Å; K126-C128 PolarHBondContact O-N 2.94Å; C128-P171 CarbonylContact C-O 3.52Å; C128-P171 WeakPolarHBondContact CA-O 3.36Å; C128-P171 HydrophobicContact CB-CB 4.3Å; C128-P171 HydrophobicContact CB-CG 4.13Å
129I94.9Very high89Confident0 Ų043.1 Ų43.10%024%0.238CC..  trans-99118.6170-53.8-51.4000108.4L99 F124 S127 V132 P171 I173L99-I129 HydrophobicContact CB-CD1 4Å; L99-I129 HydrophobicContact CB-CG2 4.1Å; L99-I129 HydrophobicContact CD1-CD1 4.23Å; L99-I129 HydrophobicContact CD1-CG1 4.38Å; L99-I129 HydrophobicContact CD2-CG2 4.2Å; F124-I129 HydrophobicContact CD1-CD1 3.68Å; F124-I129 HydrophobicContact CE1-CD1 3.26Å; F124-I129 HydrophobicContact CZ-CD1 3.82Å; S127-I129 PolarHBondContact O-N 2.72Å; I129-V132 HydrophobicContact CG2-CG2 3.72Å; I129-P171 PolarHBondContact N-O 2.89Å; I129-P171 VanDerWaalsContact O-CB 3.27Å; I129-P171 WeakPolarHBondContact O-CB 3.22Å; I129-I173 HydrophobicContact CB-CB 4.32Å; I129-I173 HydrophobicContact CB-CG1 4.05Å; I129-I173 HydrophobicContact CG1-CB 3.77Å; I129-I173 HydrophobicContact CG1-CG1 4.07Å
130N96.3Very high89.3Confident36 Ų3642.9 Ų42.919%0.19324%0.237CC..  trans-115.2-12.4-173.9-73.4-72.1000113.8F100 E101 A102 S162 P163 P171F100-N130 PolarHBondContact O-N 3.31Å; E101-N130 WeakPolarHBondContact O-CB 3.36Å; E101-N130 PolarHBondContact O-ND2 3.48Å; A102-N130 VanDerWaalsContact C-CB 3.48Å; N130-S162 VanDerWaalsContact O-CA 3.23Å; N130-S162 WeakPolarHBondContact O-CA 3.48Å; N130-P163 WeakPolarHBondContact O-CD 3.12Å; N130-P171 WeakPolarHBondContact OD1-CB 3.38Å
131S97.8Very high89.7Confident0 Ų039 Ų390%022%0.218CC..EExtended strand (participates in β ladder)trans-152.1158163.656.20000111F100 A102 F105 Y160F100-S131 VanDerWaalsContact CB-OG 3.25Å; F100-S131 WeakPolarHBondContact CB-OG 3.21Å; F100-S131 PolarHBondContact N-O 2.93Å; F100-S131 PolarHBondContact O-N 3.45Å; A102-S131 PolarHBondContact O-OG 2.69Å; F105-S131 VanDerWaalsContact CA-OG 3.27Å; F105-S131 WeakPolarHBondContact CA-OG 3.49Å; F105-S131 PolarHBondContact N-OG 2.9Å; S131-Y160 CarbonylContact C-O 3.49Å; S131-Y160 VanDerWaalsContact CA-O 3.28Å; S131-Y160 WeakPolarHBondContact CA-O 3.32Å; S131-Y160 WeakPolarHBondContact CB-O 3.39Å
132V98.1Very high90.2Very high0 Ų035 Ų350%019%0.19CC..EExtended strand (participates in β ladder)trans-142.1136-171.11750000110.2I97 E98 L99 F105 I129 V134 M142 Y160 W166I97-V132 HydrophobicContact CD1-CG1 3.51Å; I97-V132 HydrophobicContact CG1-CG1 3.62Å; E98-V132 WeakPolarHBondContact O-CA 3.39Å; L99-V132 HydrophobicContact CD2-CG1 4.17Å; L99-V132 HydrophobicContact CD2-CG2 3.84Å; F105-V132 WeakPolarHBondContact CE1-O 3.39Å; I129-V132 HydrophobicContact CG2-CG2 3.72Å; V132-V134 HydrophobicContact CG1-CG2 3.89Å; V132-M142 HydrophobicContact CG2-CE 4.39Å; V132-M142 HydrophobicContact CG2-SD 4.06Å; V132-Y160 HydrophobicContact CB-CD2 4.44Å; V132-Y160 HydrophobicContact CG1-CD2 4.45Å; V132-Y160 PolarHBondContact N-O 3.38Å; V132-Y160 PolarHBondContact O-N 3.36Å; V132-W166 HydrophobicContact CB-CZ3 4.24Å; V132-W166 HydrophobicContact CG2-CE3 4.45Å; V132-W166 HydrophobicContact CG2-CH2 3.89Å; V132-W166 HydrophobicContact CG2-CZ2 4.3Å; V132-W166 HydrophobicContact CG2-CZ3 3.97Å
133R98.4Very high90.8Very high70 Ų7027.6 Ų27.626%0.26416%0.162SC..EExtended strand (participates in β ladder)trans-117.5122.8165.6-63.7-176.6-178.6148.6-4.7110I97 E98 F100 F105 Y135 N159I97-R133 CarbonylContact C-O 3.56Å; I97-R133 WeakPolarHBondContact CA-O 3.42Å; E98-R133 HydrophobicContact CB-CB 4.37Å; E98-R133 PolarHBondContact N-O 3.39Å; E98-R133 PolarHBondContact O-N 2.99Å; E98-R133 IonicContact OE2-NH1 2.84Å; F100-R133 HydrophobicContact CE2-CG 4.04Å; F105-R133 HydrophobicContact CD1-CG 3.51Å; F105-R133 VanDerWaalsContact CD2-NH2 3.31Å; F105-R133 HydrophobicContact CE1-CG 3.49Å; F105-R133 VanDerWaalsContact CE1-CG 3.49Å; F105-R133 HydrophobicContact CG-CG 4.26Å; F105-R133 VanDerWaalsContact CG-NE 3.27Å; F105-R133 VanDerWaalsContact CG-NH2 3.3Å; F105-R133 HydrophobicContact CZ-CG 4.21Å; R133-Y135 HydrophobicContact CB-CD2 4.44Å; R133-Y135 HydrophobicContact CB-CE2 3.67Å; R133-Y135 WeakPolarHBondContact CD-OH 3.2Å; R133-N159 WeakPolarHBondContact CG-OD1 3.38Å
134V97.6Very high91.8Very high4 Ų426.5 Ų26.52%0.02414%0.144CC..EExtended strand (participates in β ladder)trans-104.7120.7175.4-173.70000108.6I97 V132 V155 E156 G158 Y160I97-V134 HydrophobicContact CD1-CG2 3.92Å; I97-V134 HydrophobicContact CG1-CG2 4.01Å; V132-V134 HydrophobicContact CG1-CG2 3.89Å; V134-V155 HydrophobicContact CG2-CB 3.91Å; V134-V155 HydrophobicContact CG2-CG2 3.66Å; V134-E156 WeakPolarHBondContact CB-O 3.18Å; V134-E156 WeakPolarHBondContact CG2-O 3.33Å; V134-G158 PolarHBondContact N-O 2.87Å; V134-G158 PolarHBondContact O-N 2.85Å; V134-G158 VanDerWaalsContact O-N 3.14Å; V134-Y160 HydrophobicContact CG2-CE2 4.08Å
135Y95.6Very high92.8Very high71 Ų7130.9 Ų30.928%0.27817%0.165SC..EExtended strand (participates in β ladder)trans-105.2167.1179.2-57-86.4000110.7R96 E98 R133R96-Y135 HydrophobicContact CG-CD2 4.03Å; R96-Y135 PolarHBondContact O-N 3.16Å; E98-Y135 HydrophobicContact CB-CE2 3.91Å; E98-Y135 PolarHBondContact OE2-OH 2.83Å; R133-Y135 HydrophobicContact CB-CD2 4.44Å; R133-Y135 HydrophobicContact CB-CE2 3.67Å; R133-Y135 WeakPolarHBondContact CD-OH 3.2Å
136G91.8Very high94Very high29 Ų2928.2 Ų28.230%0.29915%0.145SC..EExtended strand (participates in β ladder)trans69.8-153.217900000112.5H94 R157H94-G136 WeakPolarHBondContact O-CA 3.21Å; G136-R157 VanDerWaalsContact O-CD 3.22Å; G136-R157 WeakPolarHBondContact O-CD 3.24Å; G136-R157 WeakPolarHBondContact O-CG 3.5Å
137D90.1Very high94.8Very high36 Ų3627.4 Ų27.419%0.19315%0.147CC..THydrogen-bonded Turntrans-123.121.9-175.972.7-33.1000111.7M90 H91 G92 E93 H94M90-D137 CarbonylContact C-O 3.58Å; M90-D137 WeakPolarHBondContact CA-O 3.35Å; M90-D137 WeakPolarHBondContact CB-O 3.17Å; H91-D137 PolarHBondContact N-O 2.94Å; H91-D137 VanDerWaalsContact N-O 3.11Å; G92-D137 PolarHBondContact N-O 2.95Å; E93-D137 PolarHBondContact N-OD1 3.5Å; E93-D137 PolarHBondContact N-OD2 2.74Å; H94-D137 WeakPolarHBondContact CB-OD1 3.41Å; H94-D137 IonicContact CD2-OD1 3.28Å; H94-D137 IonicContact CG-OD1 3.51Å; H94-D137 PolarHBondContact N-OD1 2.71Å; H94-D137 PolarHBondContact O-N 3.48Å
138G92.2Very high95.6Very high0 Ų029.1 Ų29.10%015%0.151CC..  trans-100.3135.5172.800000112.6H94H94-G138 PolarHBondContact O-N 3.22Å
139A95.9Very high95.9Very high2 Ų234.2 Ų34.22%0.01716%0.163CC..  trans-89.3153.5169.600000111.1I88 M90 Y95 E156 V179I88-A139 HydrophobicContact CD1-CB 4.23Å; I88-A139 HydrophobicContact CG2-CB 3.77Å; M90-A139 HydrophobicContact CB-CB 4.06Å; M90-A139 HydrophobicContact CG-CB 4.43Å; Y95-A139 WeakPolarHBondContact CE1-O 3.2Å; A139-E156 HydrophobicContact CB-CG 4.23Å; A139-V179 HydrophobicContact CB-CB 3.99Å; A139-V179 HydrophobicContact CB-CG2 4.08Å; A139-V179 WeakPolarHBondContact O-CB 3.35Å; A139-V179 PolarHBondContact O-N 3.48Å
140W97.6Very high95.9Very high0 Ų035.6 Ų35.60%018%0.178CC..EExtended strand (participates in β ladder)trans-127.5149.6-179.5-63.383.9000110.9Y95 I97 I112 I154 V155 I176 R178Y95-W140 HydrophobicContact CD1-CZ2 4.38Å; Y95-W140 HydrophobicContact CG-CZ2 4.46Å; I97-W140 HydrophobicContact CB-CD2 4.16Å; I97-W140 HydrophobicContact CB-CG 4.27Å; I97-W140 HydrophobicContact CB-CZ2 4.16Å; I97-W140 HydrophobicContact CD1-CB 4.15Å; I97-W140 HydrophobicContact CD1-CG 4.04Å; I97-W140 HydrophobicContact CG2-CD2 3.7Å; I97-W140 HydrophobicContact CG2-CE3 4.03Å; I97-W140 HydrophobicContact CG2-CG 4.24Å; I97-W140 HydrophobicContact CG2-CH2 3.95Å; I97-W140 HydrophobicContact CG2-CZ2 3.62Å; I97-W140 HydrophobicContact CG2-CZ3 4.15Å; I112-W140 HydrophobicContact CG2-CH2 3.91Å; I112-W140 HydrophobicContact CG2-CZ3 3.98Å; I112-W140 WeakPolarHBondContact O-CZ2 3.46Å; W140-I154 WeakPolarHBondContact O-CA 3.4Å; W140-V155 HydrophobicContact CB-CG2 3.93Å; W140-V155 PolarHBondContact N-O 3.13Å; W140-V155 PolarHBondContact O-N 3.28Å; W140-I176 HydrophobicContact CB-CD1 4.19Å; W140-I176 HydrophobicContact CB-CG1 4.43Å; W140-I176 HydrophobicContact CD2-CD1 4.23Å; W140-I176 HydrophobicContact CE3-CD1 3.81Å; W140-I176 HydrophobicContact CE3-CG1 3.78Å; W140-I176 HydrophobicContact CG-CD1 4.44Å; W140-I176 HydrophobicContact CZ3-CD1 4.47Å; W140-I176 HydrophobicContact CZ3-CG1 4.42Å; W140-R178 HydrophobicContact CE3-CG 3.98Å; W140-R178 HydrophobicContact CH2-CG 3.76Å; W140-R178 HydrophobicContact CZ2-CG 4.29Å; W140-R178 HydrophobicContact CZ3-CG 3.57Å
141V97.8Very high95.9Very high0 Ų038.4 Ų38.40%019%0.186CC..EExtended strand (participates in β ladder)trans-118.1121.9168.753.50000109.4I63 Y143 M152 Y153 I154 I176 R177 V179I63-V141 HydrophobicContact CG2-CB 4.3Å; I63-V141 HydrophobicContact CG2-CG1 4.23Å; I63-V141 HydrophobicContact CG2-CG2 4.1Å; V141-Y143 HydrophobicContact CB-CE2 4.12Å; V141-Y143 HydrophobicContact CG1-CE2 3.62Å; V141-Y143 HydrophobicContact CG2-CD2 4.27Å; V141-Y143 HydrophobicContact CG2-CE1 4.21Å; V141-Y143 HydrophobicContact CG2-CE2 3.62Å; V141-M152 HydrophobicContact CG2-CB 3.85Å; V141-M152 HydrophobicContact CG2-CG 4.39Å; V141-M152 HydrophobicContact CG2-SD 4.4Å; V141-Y153 WeakPolarHBondContact CA-O 3.42Å; V141-I154 HydrophobicContact CB-CG1 4.24Å; V141-I154 HydrophobicContact CG2-CD1 4.38Å; V141-I154 HydrophobicContact CG2-CG1 4.18Å; V141-I176 WeakPolarHBondContact O-CA 3.39Å; V141-I176 WeakPolarHBondContact O-CG1 3.33Å; V141-R177 HydrophobicContact CG1-CG 3.4Å; V141-R177 VanDerWaalsContact CG1-CG 3.4Å; V141-R177 PolarHBondContact N-O 2.98Å; V141-R177 PolarHBondContact O-N 3.46Å; V141-V179 HydrophobicContact CB-CG2 4.27Å; V141-V179 HydrophobicContact CG1-CG2 4.19Å
142M98Very high95.8Very high0 Ų038.7 Ų38.70%019%0.187CC..EExtended strand (participates in β ladder)trans-98.3143.3176.5-61.4-175.7-63.600109.9L99 V132 M152 Y153 V155 W166 I173 I176L99-M142 HydrophobicContact CD2-SD 4.28Å; V132-M142 HydrophobicContact CG2-CE 4.39Å; V132-M142 HydrophobicContact CG2-SD 4.06Å; M142-M152 CarbonylContact O-C 3.5Å; M142-M152 WeakPolarHBondContact O-CA 3.11Å; M142-Y153 PolarHBondContact N-O 2.93Å; M142-Y153 PolarHBondContact O-N 3.41Å; M142-V155 HydrophobicContact CE-CG1 3.73Å; M142-V155 HydrophobicContact CE-CG2 4.24Å; M142-W166 HydrophobicContact CE-CB 4.49Å; M142-W166 HydrophobicContact CE-CD2 4.08Å; M142-W166 HydrophobicContact CE-CG 3.89Å; M142-I173 HydrophobicContact CB-CD1 4Å; M142-I173 HydrophobicContact CB-CG1 4.44Å; M142-I173 HydrophobicContact CB-CG2 3.81Å; M142-I173 HydrophobicContact CG-CG2 4.33Å; M142-I173 HydrophobicContact SD-CG1 4.5Å; M142-I176 HydrophobicContact CG-CD1 3.79Å; M142-I176 HydrophobicContact CG-CG1 4.04Å
143Y97.4Very high95.8Very high6 Ų639 Ų392%0.02419%0.189CC..EExtended strand (participates in β ladder)trans-128140.6-174.4-68.2-89.8000111.5V141 E145 F148 R149 R151 M152 I173 Q174 S175 R177V141-Y143 HydrophobicContact CB-CE2 4.12Å; V141-Y143 HydrophobicContact CG1-CE2 3.62Å; V141-Y143 HydrophobicContact CG2-CD2 4.27Å; V141-Y143 HydrophobicContact CG2-CE1 4.21Å; V141-Y143 HydrophobicContact CG2-CE2 3.62Å; Y143-E145 VanDerWaalsContact C-N 3.27Å; Y143-E145 PolarHBondContact O-N 3.49Å; Y143-F148 HydrophobicContact CD1-CB 4.45Å; Y143-F148 HydrophobicContact CD2-CB 4.02Å; Y143-F148 HydrophobicContact CD2-CD1 4.04Å; Y143-F148 HydrophobicContact CE1-CB 4.2Å; Y143-F148 WeakPolarHBondContact CE1-O 3.41Å; Y143-F148 HydrophobicContact CE2-CB 3.74Å; Y143-F148 HydrophobicContact CE2-CD1 4.04Å; Y143-F148 HydrophobicContact CE2-CG 4.3Å; Y143-F148 HydrophobicContact CG-CB 4.36Å; Y143-R149 WeakPolarHBondContact CB-O 3.25Å; Y143-R151 WeakPolarHBondContact CA-O 3.29Å; Y143-M152 HydrophobicContact CD1-CG 3.96Å; Y143-M152 HydrophobicContact CE1-CB 4.38Å; Y143-M152 HydrophobicContact CE1-CE 4.1Å; Y143-M152 HydrophobicContact CE1-CG 3.54Å; Y143-M152 HydrophobicContact CE1-SD 3.84Å; Y143-I173 CarbonylContact O-C 3.53Å; Y143-I173 WeakPolarHBondContact O-CA 3.46Å; Y143-Q174 PolarHBondContact O-N 2.77Å; Y143-S175 WeakPolarHBondContact CB-OG 3.13Å; Y143-S175 PolarHBondContact N-O 2.87Å; Y143-S175 PolarHBondContact O-N 2.95Å; Y143-R177 HydrophobicContact CE2-CG 4.01Å; Y143-R177 PolarHBondContact OH-NE 3.39Å
144E95.8Very high95.8Very high25 Ų2536.2 Ų36.212%0.11718%0.179CC..EExtended strand (participates in β ladder)trans-67.9-26.6177.1-65.6-172.6156.800113.3R151 Y153 N170 N172 Q174E144-R151 HydrophobicContact CG-CB 3.97Å; E144-R151 PolarHBondContact N-O 3.39Å; E144-R151 WeakPolarHBondContact OE2-CD 3.4Å; E144-R151 WeakPolarHBondContact OE2-CG 2.96Å; E144-Y153 HydrophobicContact CG-CE2 3.64Å; E144-Y153 PolarHBondContact OE1-OH 2.89Å; E144-N170 PolarHBondContact OE1-ND2 3.18Å; E144-N172 WeakPolarHBondContact CA-O 3.4Å; E144-N172 PolarHBondContact O-ND2 2.73Å; E144-Q174 WeakPolarHBondContact O-CB 3.11Å; E144-Q174 VanDerWaalsContact O-CG 3.31Å; E144-Q174 WeakPolarHBondContact O-CG 3.46Å; E144-Q174 PolarHBondContact O-NE2 3.14Å
145E95.4Very high95.8Very high95 Ų9536 Ų3644%0.44418%0.178SC..EExtended strand (participates in β ladder)trans-112.9159.9-178.3-62.9175.5-157.400111.9Y143 R149 S175Y143-E145 VanDerWaalsContact C-N 3.27Å; Y143-E145 PolarHBondContact O-N 3.49Å; E145-R149 HydrophobicContact CB-CB 3.85Å; E145-R149 WeakPolarHBondContact CB-O 3.38Å; E145-R149 PolarHBondContact N-O 3.48Å; E145-R149 WeakPolarHBondContact OE2-CB 3.24Å; E145-S175 WeakPolarHBondContact O-CB 3.44Å; E145-S175 PolarHBondContact O-OG 2.86Å
146P96Very high95.8Very high34 Ų3433.9 Ų33.922%0.22117%0.17CC..THydrogen-bonded Turntrans-61.4160.7170.2-21.234.2000112.2P117 F118 F148 Q174P117-P146 CarbonylContact O-C 3.56Å; P117-P146 WeakPolarHBondContact O-CA 3.12Å; F118-P146 HydrophobicContact CD2-CB 3.98Å; F118-P146 HydrophobicContact CD2-CG 3.86Å; F118-P146 HydrophobicContact CE2-CG 4.07Å; P146-F148 VanDerWaalsContact C-N 3.29Å; P146-F148 PolarHBondContact O-N 2.89Å; P146-Q174 VanDerWaalsContact CD-OE1 3.28Å; P146-Q174 HydrophobicContact CG-CB 4.13Å; P146-Q174 VanDerWaalsContact CG-OE1 3.22Å
147N96.7Very high96Very high96 Ų9640.8 Ų40.851%0.51319%0.187SC..THydrogen-bonded Turntrans58.136.5175.4-52.5-67.1000114.1P117P117-N147 PolarHBondContact O-N 3.01Å
148F96.6Very high96.3Very high61 Ų6140.1 Ų40.127%0.26819%0.189SC..THydrogen-bonded Turntrans63.445172.6-38.2-56.3000113.4D115 P117 Y143 P146 S175 I176 R177D115-F148 HydrophobicContact CB-CZ 4.2Å; P117-F148 HydrophobicContact CB-CE1 4.35Å; P117-F148 HydrophobicContact CB-CE2 4.22Å; P117-F148 HydrophobicContact CB-CZ 3.84Å; Y143-F148 HydrophobicContact CD1-CB 4.45Å; Y143-F148 HydrophobicContact CD2-CB 4.02Å; Y143-F148 HydrophobicContact CD2-CD1 4.04Å; Y143-F148 HydrophobicContact CE1-CB 4.2Å; Y143-F148 WeakPolarHBondContact CE1-O 3.41Å; Y143-F148 HydrophobicContact CE2-CB 3.74Å; Y143-F148 HydrophobicContact CE2-CD1 4.04Å; Y143-F148 HydrophobicContact CE2-CG 4.3Å; Y143-F148 HydrophobicContact CG-CB 4.36Å; P146-F148 VanDerWaalsContact C-N 3.29Å; P146-F148 PolarHBondContact O-N 2.89Å; F148-S175 WeakPolarHBondContact CA-OG 3.2Å; F148-S175 PolarHBondContact N-OG 3.41Å; F148-I176 WeakPolarHBondContact CE1-O 3.31Å; F148-R177 HydrophobicContact CD1-CB 4.03Å; F148-R177 HydrophobicContact CD1-CG 4.23Å; F148-R177 HydrophobicContact CE1-CB 3.77Å; F148-R177 HydrophobicContact CE1-CG 4.47Å; F148-R177 HydrophobicContact CZ-CB 4.22Å
149R94.8Very high96.6Very high153 Ų15345 Ų4558%0.57722%0.215SC*.EExtended strand (participates in β ladder)trans-121.3172.5-176.7-65.7-177.7-175.6-179.70.8112.5Y143 E145Y143-R149 WeakPolarHBondContact CB-O 3.25Å; E145-R149 HydrophobicContact CB-CB 3.85Å; E145-R149 WeakPolarHBondContact CB-O 3.38Å; E145-R149 PolarHBondContact N-O 3.48Å; E145-R149 WeakPolarHBondContact OE2-CB 3.24Å
150G94.3Very high96.7Very high30 Ų3046.8 Ų46.831%0.30922%0.222SC..EExtended strand (participates in β ladder)trans72.2-158.3-177.600000112
151R95.6Very high96.8Very high94 Ų9448.4 Ų48.436%0.35523%0.233SC..EExtended strand (participates in β ladder)trans-68142.3-178.3-61.1-173.2168.5-177.1-0.5111.3Q60 Y143 E144 Y153 Q169Q60-R151 VanDerWaalsContact OE1-CD 3.23Å; Y143-R151 WeakPolarHBondContact CA-O 3.29Å; E144-R151 HydrophobicContact CG-CB 3.97Å; E144-R151 PolarHBondContact N-O 3.39Å; E144-R151 WeakPolarHBondContact OE2-CD 3.4Å; E144-R151 WeakPolarHBondContact OE2-CG 2.96Å; R151-Y153 HydrophobicContact CB-CE2 4.42Å; R151-Q169 VanDerWaalsContact NH1-CD 3.3Å
152M97Very high96.7Very high7 Ų749.9 Ų49.93%0.03424%0.243CC..EExtended strand (participates in β ladder)trans-101.9144178.5-45.3-170.9-165.700111.1Q60 I63 W75 N76 V141 M142 Y143 I154Q60-M152 VanDerWaalsContact NE2-N 3.13Å; Q60-M152 PolarHBondContact NE2-O 2.87Å; I63-M152 HydrophobicContact CG2-SD 3.88Å; W75-M152 WeakPolarHBondContact O-CE 3.27Å; N76-M152 HydrophobicContact CB-CE 3.64Å; V141-M152 HydrophobicContact CG2-CB 3.85Å; V141-M152 HydrophobicContact CG2-CG 4.39Å; V141-M152 HydrophobicContact CG2-SD 4.4Å; M142-M152 CarbonylContact O-C 3.5Å; M142-M152 WeakPolarHBondContact O-CA 3.11Å; Y143-M152 HydrophobicContact CD1-CG 3.96Å; Y143-M152 HydrophobicContact CE1-CB 4.38Å; Y143-M152 HydrophobicContact CE1-CE 4.1Å; Y143-M152 HydrophobicContact CE1-CG 3.54Å; Y143-M152 HydrophobicContact CE1-SD 3.84Å; M152-I154 HydrophobicContact CB-CD1 4.18Å
153Y97.8Very high96.7Very high7 Ų750.7 Ų50.73%0.02725%0.248CC..EExtended strand (participates in β ladder)trans-132.4120.6170.3-54.2-72.6000109V141 M142 E144 R151 W166 A168 I173V141-Y153 WeakPolarHBondContact CA-O 3.42Å; M142-Y153 PolarHBondContact N-O 2.93Å; M142-Y153 PolarHBondContact O-N 3.41Å; E144-Y153 HydrophobicContact CG-CE2 3.64Å; E144-Y153 PolarHBondContact OE1-OH 2.89Å; R151-Y153 HydrophobicContact CB-CE2 4.42Å; Y153-W166 AromaticContact CG-CD1 3.84Å; Y153-A168 HydrophobicContact CD1-CB 3.94Å; Y153-A168 HydrophobicContact CD2-CB 4.41Å; Y153-A168 HydrophobicContact CE1-CB 3.58Å; Y153-A168 HydrophobicContact CE2-CB 4.04Å; Y153-A168 HydrophobicContact CG-CB 4.34Å; Y153-I173 HydrophobicContact CD2-CD1 3.6Å; Y153-I173 HydrophobicContact CE2-CD1 3.92Å
154I97.5Very high96.6Very high11 Ų1155.3 Ų55.36%0.05628%0.277CS..EExtended strand (participates in β ladder)trans-101.9128.7-175.8-61.781.3000108.9I50 Q61 I63 I88 W140 V141 M152I50-I154 HydrophobicContact CD1-CB 3.86Å; I50-I154 HydrophobicContact CD1-CG2 3.52Å; I50-I154 HydrophobicContact CG1-CB 4.15Å; I50-I154 HydrophobicContact CG1-CG1 4.42Å; I50-I154 HydrophobicContact CG1-CG2 3.86Å; I50-I154 HydrophobicContact CG2-CD1 4.17Å; Q61-I154 HydrophobicContact CB-CD1 3.54Å; I63-I154 HydrophobicContact CB-CD1 4.33Å; I63-I154 HydrophobicContact CB-CG1 4.06Å; I63-I154 HydrophobicContact CD1-CG1 4.25Å; I88-I154 HydrophobicContact CD1-CG2 3.79Å; W140-I154 WeakPolarHBondContact O-CA 3.4Å; V141-I154 HydrophobicContact CB-CG1 4.24Å; V141-I154 HydrophobicContact CG2-CD1 4.38Å; V141-I154 HydrophobicContact CG2-CG1 4.18Å; M152-I154 HydrophobicContact CB-CD1 4.18Å
155V97.3Very high96.7Very high0 Ų058.3 Ų58.30%029%0.292CS..EExtended strand (participates in β ladder)trans-124.8131.2178-68.20000109.9I97 V134 W140 M142 Y160 W166I97-V155 HydrophobicContact CD1-CG2 3.93Å; V134-V155 HydrophobicContact CG2-CB 3.91Å; V134-V155 HydrophobicContact CG2-CG2 3.66Å; W140-V155 HydrophobicContact CB-CG2 3.93Å; W140-V155 PolarHBondContact N-O 3.13Å; W140-V155 PolarHBondContact O-N 3.28Å; M142-V155 HydrophobicContact CE-CG1 3.73Å; M142-V155 HydrophobicContact CE-CG2 4.24Å; V155-Y160 HydrophobicContact CB-CD2 4.49Å; V155-Y160 HydrophobicContact CB-CE2 3.81Å; V155-Y160 HydrophobicContact CG1-CD1 4.46Å; V155-Y160 HydrophobicContact CG1-CD2 4.31Å; V155-Y160 HydrophobicContact CG1-CE1 4.13Å; V155-Y160 HydrophobicContact CG1-CE2 3.97Å; V155-W166 HydrophobicContact CG1-CB 3.74Å; V155-W166 HydrophobicContact CG1-CG 4.38Å
156E96.1Very high96.7Very high26 Ų2654 Ų5412%0.12127%0.271CS..  trans-101.5179.9173-63.2-173.410000108.8I88 R89 M90 V134 A139 G158 Y160I88-E156 HydrophobicContact CD1-CG 4.47Å; R89-E156 PolarHBondContact N-OE1 2.88Å; M90-E156 HydrophobicContact CE-CB 4.38Å; M90-E156 HydrophobicContact CG-CB 3.89Å; M90-E156 HydrophobicContact CG-CG 4.12Å; V134-E156 WeakPolarHBondContact CB-O 3.18Å; V134-E156 WeakPolarHBondContact CG2-O 3.33Å; A139-E156 HydrophobicContact CB-CG 4.23Å; E156-G158 PolarHBondContact O-N 3.07Å; E156-G158 VanDerWaalsContact O-N 3.15Å; E156-Y160 PolarHBondContact N-OH 3.25Å; E156-Y160 VanDerWaalsContact N-OH 3.15Å; E156-Y160 WeakPolarHBondContact O-CE2 3.16Å; E156-Y160 PolarHBondContact O-OH 2.93Å
157R96.4Very high96.8Very high173 Ų17356 Ų5665%0.65328%0.278SS*.SBendtrans-49.5123.5176-175.3-168.9179.3167-3111.2M90 G136M90-R157 HydrophobicContact CE-CB 3.84Å; M90-R157 HydrophobicContact SD-CB 3.78Å; G136-R157 VanDerWaalsContact O-CD 3.22Å; G136-R157 WeakPolarHBondContact O-CD 3.24Å; G136-R157 WeakPolarHBondContact O-CG 3.5Å
158G97.2Very high96.7Very high23 Ų2351.9 Ų51.924%0.23726%0.257CS..EExtended strand (participates in β ladder)trans164.8173.9-176.600000113.7V134 E156V134-G158 PolarHBondContact N-O 2.87Å; V134-G158 PolarHBondContact O-N 2.85Å; V134-G158 VanDerWaalsContact O-N 3.14Å; E156-G158 PolarHBondContact O-N 3.07Å; E156-G158 VanDerWaalsContact O-N 3.15Å
159N98.3Very high96.4Very high102 Ų10256.4 Ų56.455%0.54528%0.279SS..EExtended strand (participates in β ladder)trans-112.6118.7175.1-68.5-32.4000107.4F105 R133F105-N159 HydrophobicContact CE1-CB 4.45Å; F105-N159 HydrophobicContact CE2-CB 4.37Å; F105-N159 HydrophobicContact CZ-CB 3.71Å; R133-N159 WeakPolarHBondContact CG-OD1 3.38Å
160Y98.3Very high96.2Very high39 Ų3951.8 Ų51.815%0.15327%0.266CS..EExtended strand (participates in β ladder)trans-114106.4-180-56.7-99.2000109.3F105 S131 V132 V134 V155 E156 S162 E165 W166F105-Y160 WeakPolarHBondContact CE1-O 3.47Å; S131-Y160 CarbonylContact C-O 3.49Å; S131-Y160 VanDerWaalsContact CA-O 3.28Å; S131-Y160 WeakPolarHBondContact CA-O 3.32Å; S131-Y160 WeakPolarHBondContact CB-O 3.39Å; V132-Y160 HydrophobicContact CB-CD2 4.44Å; V132-Y160 HydrophobicContact CG1-CD2 4.45Å; V132-Y160 PolarHBondContact N-O 3.38Å; V132-Y160 PolarHBondContact O-N 3.36Å; V134-Y160 HydrophobicContact CG2-CE2 4.08Å; V155-Y160 HydrophobicContact CB-CD2 4.49Å; V155-Y160 HydrophobicContact CB-CE2 3.81Å; V155-Y160 HydrophobicContact CG1-CD1 4.46Å; V155-Y160 HydrophobicContact CG1-CD2 4.31Å; V155-Y160 HydrophobicContact CG1-CE1 4.13Å; V155-Y160 HydrophobicContact CG1-CE2 3.97Å; E156-Y160 PolarHBondContact N-OH 3.25Å; E156-Y160 VanDerWaalsContact N-OH 3.15Å; E156-Y160 WeakPolarHBondContact O-CE2 3.16Å; E156-Y160 PolarHBondContact O-OH 2.93Å; Y160-S162 PolarHBondContact O-N 2.67Å; Y160-E165 WeakPolarHBondContact CA-OE2 3.21Å; Y160-E165 HydrophobicContact CD1-CB 3.86Å; Y160-W166 VanDerWaalsContact CB-CE3 3.45Å; Y160-W166 HydrophobicContact CD1-CB 4.41Å; Y160-W166 HydrophobicContact CD1-CE3 4.22Å; Y160-W166 HydrophobicContact CG-CE3 4.05Å
161C97.9Very high96.1Very high35 Ų3552 Ų5224%0.23626%0.262CS..  trans-81.9-14.2-168.9-59.20000113.8C103 N104 F105 E165C103-C161 WeakPolarHBondContact CA-O 3.4Å; C103-C161 WeakPolarHBondContact CB-O 3.32Å; N104-C161 PolarHBondContact N-O 2.78Å; F105-C161 WeakPolarHBondContact CE2-SG 3.34Å; F105-C161 HydrophobicContact CZ-CB 4.32Å; F105-C161 WeakPolarHBondContact CZ-SG 3.26Å; C161-E165 WeakPolarHBondContact CA-OE1 3.19Å; C161-E165 WeakPolarHBondContact CB-OE1 3.36Å; C161-E165 VanDerWaalsContact N-CD 3.26Å; C161-E165 PolarHBondContact N-OE1 3.19Å; C161-E165 PolarHBondContact N-OE2 2.87Å
162S97.2Very high96.1Very high31 Ų3149.4 Ų49.422%0.21726%0.255CS..SBendtrans-156159.6-179.463.60000112.5N130 Y160 T164 E165 W166N130-S162 VanDerWaalsContact O-CA 3.23Å; N130-S162 WeakPolarHBondContact O-CA 3.48Å; Y160-S162 PolarHBondContact O-N 2.67Å; S162-T164 PolarHBondContact O-N 3.27Å; S162-T164 VanDerWaalsContact O-N 3.09Å; S162-T164 PolarHBondContact OG-OG1 2.84Å; S162-E165 PolarHBondContact N-OE1 2.89Å; S162-E165 WeakPolarHBondContact O-CB 3.48Å; S162-E165 PolarHBondContact O-N 3.06Å; S162-W166 VanDerWaalsContact C-CZ3 3.46Å; S162-W166 WeakPolarHBondContact O-CZ3 3.42Å
163P97.1Very high96.1Very high16 Ų1649.1 Ų49.110%0.10425%0.253CS..G310 helixtrans-58.2-25.8-177.9-26.235.5000116.2N130 E165 W166 Q167 A168 P171N130-P163 WeakPolarHBondContact O-CD 3.12Å; P163-E165 PolarHBondContact O-N 2.88Å; P163-W166 VanDerWaalsContact CA-CE2 3.48Å; P163-W166 HydrophobicContact CB-CH2 4.3Å; P163-W166 HydrophobicContact CB-CZ2 3.78Å; P163-W166 HydrophobicContact CG-CH2 4.15Å; P163-W166 HydrophobicContact CG-CZ2 3.91Å; P163-W166 PolarHBondContact O-N 3.18Å; P163-Q167 PolarHBondContact O-N 2.95Å; P163-A168 HydrophobicContact CB-CB 4.12Å; P163-A168 PolarHBondContact O-N 2.86Å; P163-P171 HydrophobicContact CG-CB 4.02Å
164T96.3Very high96Very high104 Ų10450.9 Ų50.964%0.63826%0.262SS*.G310 helixtrans-65.9-25.6177.955.10000112.5S162 W166 Q167S162-T164 PolarHBondContact O-N 3.27Å; S162-T164 VanDerWaalsContact O-N 3.09Å; S162-T164 PolarHBondContact OG-OG1 2.84Å; T164-W166 VanDerWaalsContact C-N 3.32Å; T164-W166 PolarHBondContact O-N 2.81Å; T164-Q167 WeakPolarHBondContact O-CA 3.39Å; T164-Q167 PolarHBondContact O-N 2.9Å
165E97.3Very high96Very high88 Ų8850.4 Ų50.441%0.41126%0.259SS..G310 helixtrans-73.2-23.3-179.1-66.8179.5-132.300113.2Y160 C161 S162 P163Y160-E165 WeakPolarHBondContact CA-OE2 3.21Å; Y160-E165 HydrophobicContact CD1-CB 3.86Å; C161-E165 WeakPolarHBondContact CA-OE1 3.19Å; C161-E165 WeakPolarHBondContact CB-OE1 3.36Å; C161-E165 VanDerWaalsContact N-CD 3.26Å; C161-E165 PolarHBondContact N-OE1 3.19Å; C161-E165 PolarHBondContact N-OE2 2.87Å; S162-E165 PolarHBondContact N-OE1 2.89Å; S162-E165 WeakPolarHBondContact O-CB 3.48Å; S162-E165 PolarHBondContact O-N 3.06Å; P163-E165 PolarHBondContact O-N 2.88Å
166W96.2Very high96Very high3 Ų350.4 Ų50.41%0.01126%0.259CS..G310 helixtrans-104.317.8166.261.586.8000112.8Q61 V132 M142 Y153 V155 Y160 S162 P163 T164 A168Q61-W166 PolarHBondContact NE2-O 3.05Å; V132-W166 HydrophobicContact CB-CZ3 4.24Å; V132-W166 HydrophobicContact CG2-CE3 4.45Å; V132-W166 HydrophobicContact CG2-CH2 3.89Å; V132-W166 HydrophobicContact CG2-CZ2 4.3Å; V132-W166 HydrophobicContact CG2-CZ3 3.97Å; M142-W166 HydrophobicContact CE-CB 4.49Å; M142-W166 HydrophobicContact CE-CD2 4.08Å; M142-W166 HydrophobicContact CE-CG 3.89Å; Y153-W166 AromaticContact CG-CD1 3.84Å; V155-W166 HydrophobicContact CG1-CB 3.74Å; V155-W166 HydrophobicContact CG1-CG 4.38Å; Y160-W166 VanDerWaalsContact CB-CE3 3.45Å; Y160-W166 HydrophobicContact CD1-CB 4.41Å; Y160-W166 HydrophobicContact CD1-CE3 4.22Å; Y160-W166 HydrophobicContact CG-CE3 4.05Å; S162-W166 VanDerWaalsContact C-CZ3 3.46Å; S162-W166 WeakPolarHBondContact O-CZ3 3.42Å; P163-W166 VanDerWaalsContact CA-CE2 3.48Å; P163-W166 HydrophobicContact CB-CH2 4.3Å; P163-W166 HydrophobicContact CB-CZ2 3.78Å; P163-W166 HydrophobicContact CG-CH2 4.15Å; P163-W166 HydrophobicContact CG-CZ2 3.91Å; P163-W166 PolarHBondContact O-N 3.18Å; T164-W166 VanDerWaalsContact C-N 3.32Å; T164-W166 PolarHBondContact O-N 2.81Å; W166-A168 VanDerWaalsContact C-N 3.27Å; W166-A168 VanDerWaalsContact CD1-CB 3.46Å; W166-A168 VanDerWaalsContact NE1-CB 3.27Å; W166-A168 PolarHBondContact O-N 2.96Å
167Q96.6Very high96.1Very high77 Ų7751.1 Ų51.136%0.3626%0.261SS..THydrogen-bonded Turntrans61.525176.8-47.1-176.427.600115.2F57 P163 T164F57-Q167 PolarHBondContact O-NE2 3.31Å; F57-Q167 PolarHBondContact O-OE1 2.84Å; P163-Q167 PolarHBondContact O-N 2.95Å; T164-Q167 WeakPolarHBondContact O-CA 3.39Å; T164-Q167 PolarHBondContact O-N 2.9Å
168A95.3Very high96.1Very high10 Ų1046.2 Ų46.28%0.08324%0.242CC..  trans-76.3138.5176.200000112.6Y153 P163 W166 N170Y153-A168 HydrophobicContact CD1-CB 3.94Å; Y153-A168 HydrophobicContact CD2-CB 4.41Å; Y153-A168 HydrophobicContact CE1-CB 3.58Å; Y153-A168 HydrophobicContact CE2-CB 4.04Å; Y153-A168 HydrophobicContact CG-CB 4.34Å; P163-A168 HydrophobicContact CB-CB 4.12Å; P163-A168 PolarHBondContact O-N 2.86Å; W166-A168 VanDerWaalsContact C-N 3.27Å; W166-A168 VanDerWaalsContact CD1-CB 3.46Å; W166-A168 VanDerWaalsContact NE1-CB 3.27Å; W166-A168 PolarHBondContact O-N 2.96Å; A168-N170 WeakPolarHBondContact CB-O 3.21Å
169Q90.8Very high96Very high156 Ų15645.1 Ų45.173%0.72923%0.231SC*.SBendtrans-84.7-20.9175.6-66.9-176.6-10.500112.4R151R151-Q169 VanDerWaalsContact NH1-CD 3.3Å
170N90.8Very high95.7Very high55 Ų5542.8 Ų42.829%0.29422%0.22SC..SBendtrans-143.1154.2174.767.774.9000108.6E144 A168 N172E144-N170 PolarHBondContact OE1-ND2 3.18Å; A168-N170 WeakPolarHBondContact CB-O 3.21Å; N170-N172 PolarHBondContact O-N 2.93Å; N170-N172 VanDerWaalsContact OD1-CB 3.25Å; N170-N172 WeakPolarHBondContact OD1-CB 3.19Å; N170-N172 PolarHBondContact OD1-N 3.21Å
171P92.1Very high95.2Very high35 Ų3541.5 Ų41.523%0.22722%0.216CC..  trans-81.64-178.433.9-36.7000113.2C128 I129 N130 P163 I173C128-P171 CarbonylContact C-O 3.52Å; C128-P171 WeakPolarHBondContact CA-O 3.36Å; C128-P171 HydrophobicContact CB-CB 4.3Å; C128-P171 HydrophobicContact CB-CG 4.13Å; I129-P171 PolarHBondContact N-O 2.89Å; I129-P171 VanDerWaalsContact O-CB 3.27Å; I129-P171 WeakPolarHBondContact O-CB 3.22Å; N130-P171 WeakPolarHBondContact OD1-CB 3.38Å; P163-P171 HydrophobicContact CG-CB 4.02Å; P171-I173 PolarHBondContact O-N 3.4Å; P171-I173 VanDerWaalsContact O-N 3.14Å
172N95.4Very high93.9Very high39 Ų3947 Ų4721%0.20923%0.233CC..BIsolated β-bridgetrans-74.6109.2-173.1167.781.5000110.1S127 E144 N170 Q174S127-N172 WeakPolarHBondContact CB-OD1 3.35Å; S127-N172 CarbonylContact O-C 3.58Å; S127-N172 VanDerWaalsContact O-CA 3.3Å; S127-N172 WeakPolarHBondContact O-CA 3.34Å; S127-N172 PolarHBondContact OG-OD1 3.04Å; E144-N172 WeakPolarHBondContact CA-O 3.4Å; E144-N172 PolarHBondContact O-ND2 2.73Å; N170-N172 PolarHBondContact O-N 2.93Å; N170-N172 VanDerWaalsContact OD1-CB 3.25Å; N170-N172 WeakPolarHBondContact OD1-CB 3.19Å; N170-N172 PolarHBondContact OD1-N 3.21Å; N172-Q174 PolarHBondContact OD1-NE2 3.13Å
173I96.5Very high92.3Very high1 Ų150.5 Ų50.51%0.00525%0.245CC..  trans-122131.5172.2-53.8-59.9000107.5L119 S127 I129 M142 Y143 Y153 P171L119-I173 HydrophobicContact CD1-CB 4.36Å; L119-I173 HydrophobicContact CD1-CG2 3.84Å; S127-I173 PolarHBondContact O-N 3.34Å; S127-I173 VanDerWaalsContact O-O 3.13Å; I129-I173 HydrophobicContact CB-CB 4.32Å; I129-I173 HydrophobicContact CB-CG1 4.05Å; I129-I173 HydrophobicContact CG1-CB 3.77Å; I129-I173 HydrophobicContact CG1-CG1 4.07Å; M142-I173 HydrophobicContact CB-CD1 4Å; M142-I173 HydrophobicContact CB-CG1 4.44Å; M142-I173 HydrophobicContact CB-CG2 3.81Å; M142-I173 HydrophobicContact CG-CG2 4.33Å; M142-I173 HydrophobicContact SD-CG1 4.5Å; Y143-I173 CarbonylContact O-C 3.53Å; Y143-I173 WeakPolarHBondContact O-CA 3.46Å; Y153-I173 HydrophobicContact CD2-CD1 3.6Å; Y153-I173 HydrophobicContact CE2-CD1 3.92Å; P171-I173 PolarHBondContact O-N 3.4Å; P171-I173 VanDerWaalsContact O-N 3.14Å
174Q96.3Very high92.1Very high45 Ų4552.3 Ų52.321%0.2125%0.252CS..  trans-125.1-19.9-176.7-68.1-16847.300114F118 L119 Y143 E144 P146 N172F118-Q174 CarbonylContact C-O 3.51Å; F118-Q174 WeakPolarHBondContact CA-O 3.1Å; L119-Q174 PolarHBondContact N-O 3.25Å; Y143-Q174 PolarHBondContact O-N 2.77Å; E144-Q174 WeakPolarHBondContact O-CB 3.11Å; E144-Q174 VanDerWaalsContact O-CG 3.31Å; E144-Q174 WeakPolarHBondContact O-CG 3.46Å; E144-Q174 PolarHBondContact O-NE2 3.14Å; P146-Q174 VanDerWaalsContact CD-OE1 3.28Å; P146-Q174 HydrophobicContact CG-CB 4.13Å; P146-Q174 VanDerWaalsContact CG-OE1 3.22Å; N172-Q174 PolarHBondContact OD1-NE2 3.13Å
175S97.2Very high91.9Very high0 Ų049.5 Ų49.50%023%0.231CC..EExtended strand (participates in β ladder)trans-144158.2171.165.90000111.9C116 P117 Y143 E145 F148C116-S175 VanDerWaalsContact O-CA 3.29Å; C116-S175 WeakPolarHBondContact O-CA 3.15Å; C116-S175 WeakPolarHBondContact O-CB 3.34Å; P117-S175 VanDerWaalsContact O-CB 3.26Å; P117-S175 WeakPolarHBondContact O-CB 3.48Å; Y143-S175 WeakPolarHBondContact CB-OG 3.13Å; Y143-S175 PolarHBondContact N-O 2.87Å; Y143-S175 PolarHBondContact O-N 2.95Å; E145-S175 WeakPolarHBondContact O-CB 3.44Å; E145-S175 PolarHBondContact O-OG 2.86Å; F148-S175 WeakPolarHBondContact CA-OG 3.2Å; F148-S175 PolarHBondContact N-OG 3.41Å
176I97.6Very high91.6Very high0 Ų047.4 Ų47.40%022%0.221CC..EExtended strand (participates in β ladder)trans-149.4139.4-177.2-173174.3000109.9I97 I112 C116 L119 W140 V141 M142 F148I97-I176 HydrophobicContact CD1-CD1 3.64Å; I97-I176 HydrophobicContact CG2-CD1 3.79Å; I112-I176 HydrophobicContact CD1-CG2 3.73Å; I112-I176 HydrophobicContact CG2-CG2 4.24Å; C116-I176 HydrophobicContact CB-CG2 3.82Å; C116-I176 PolarHBondContact N-O 2.75Å; C116-I176 PolarHBondContact O-N 3.37Å; L119-I176 HydrophobicContact CD2-CG2 3.95Å; W140-I176 HydrophobicContact CB-CD1 4.19Å; W140-I176 HydrophobicContact CB-CG1 4.43Å; W140-I176 HydrophobicContact CD2-CD1 4.23Å; W140-I176 HydrophobicContact CE3-CD1 3.81Å; W140-I176 HydrophobicContact CE3-CG1 3.78Å; W140-I176 HydrophobicContact CG-CD1 4.44Å; W140-I176 HydrophobicContact CZ3-CD1 4.47Å; W140-I176 HydrophobicContact CZ3-CG1 4.42Å; V141-I176 WeakPolarHBondContact O-CA 3.39Å; V141-I176 WeakPolarHBondContact O-CG1 3.33Å; M142-I176 HydrophobicContact CG-CD1 3.79Å; M142-I176 HydrophobicContact CG-CG1 4.04Å; F148-I176 WeakPolarHBondContact CE1-O 3.31Å
177R97.3Very high91.3Very high41 Ų4150 Ų5016%0.15523%0.234CC..EExtended strand (participates in β ladder)trans-137.7160.8171.469.3178.5-173.488.7-15.4111.2E65 D115 V141 Y143 F148E65-R177 IonicContact OE1-CZ 2.89Å; E65-R177 IonicContact OE1-NH1 3.97Å; E65-R177 PolarHBondContact OE1-NH1 3.08Å; E65-R177 IonicContact OE1-NH2 2.67Å; E65-R177 IonicContact OE2-CZ 3.86Å; E65-R177 IonicContact OE2-NH1 2.83Å; E65-R177 PolarHBondContact OE2-NH1 2.99Å; E65-R177 IonicContact OE2-NH2 3.82Å; E65-R177 PolarHBondContact OE2-NH2 3.3Å; D115-R177 HydrophobicContact CB-CB 3.97Å; D115-R177 VanDerWaalsContact OD1-CA 3.31Å; D115-R177 WeakPolarHBondContact OD1-CA 3.22Å; D115-R177 WeakPolarHBondContact OD1-CB 3.29Å; V141-R177 HydrophobicContact CG1-CG 3.4Å; V141-R177 VanDerWaalsContact CG1-CG 3.4Å; V141-R177 PolarHBondContact N-O 2.98Å; V141-R177 PolarHBondContact O-N 3.46Å; Y143-R177 HydrophobicContact CE2-CG 4.01Å; Y143-R177 PolarHBondContact OH-NE 3.39Å; F148-R177 HydrophobicContact CD1-CB 4.03Å; F148-R177 HydrophobicContact CD1-CG 4.23Å; F148-R177 HydrophobicContact CE1-CB 3.77Å; F148-R177 HydrophobicContact CE1-CG 4.47Å; F148-R177 HydrophobicContact CZ-CB 4.22Å
178R97.1Very high91Very high70 Ų7048.3 Ų48.326%0.26423%0.226SC..EExtended strand (participates in β ladder)trans-67.3142.8170.3-63.1172.2-67.9-161.8-1.1109.7Y95 D114 D115 W140Y95-R178 HydrophobicContact CD1-CB 3.72Å; Y95-R178 HydrophobicContact CD1-CG 3.45Å; Y95-R178 VanDerWaalsContact CD1-CG 3.45Å; Y95-R178 HydrophobicContact CD2-CG 4.21Å; Y95-R178 HydrophobicContact CE1-CB 3.57Å; Y95-R178 HydrophobicContact CE1-CG 3.88Å; Y95-R178 HydrophobicContact CE2-CB 4.49Å; Y95-R178 HydrophobicContact CG-CB 4.26Å; Y95-R178 VanDerWaalsContact CG-CD 3.49Å; Y95-R178 HydrophobicContact CG-CG 3.64Å; D114-R178 IonicContact OD1-CZ 3.53Å; D114-R178 IonicContact OD1-NH1 2.81Å; D114-R178 PolarHBondContact OD1-NH1 3.47Å; D114-R178 IonicContact OD1-NH2 3.76Å; D115-R178 WeakPolarHBondContact OD1-CB 3.46Å; D115-R178 WeakPolarHBondContact OD1-CG 3.49Å; D115-R178 IonicContact OD1-CZ 3.91Å; D115-R178 PolarHBondContact OD1-N 3.43Å; D115-R178 IonicContact OD1-NE 3.14Å; D115-R178 PolarHBondContact OD1-NE 3.07Å; D115-R178 VanDerWaalsContact OD1-NE 3.14Å; D115-R178 IonicContact OD1-NH2 3.86Å; D115-R178 IonicContact OD2-CZ 3.68Å; D115-R178 IonicContact OD2-NE 3.57Å; D115-R178 IonicContact OD2-NH2 2.91Å; D115-R178 PolarHBondContact OD2-NH2 3.45Å; W140-R178 HydrophobicContact CE3-CG 3.98Å; W140-R178 HydrophobicContact CH2-CG 3.76Å; W140-R178 HydrophobicContact CZ2-CG 4.29Å; W140-R178 HydrophobicContact CZ3-CG 3.57Å
179V95.6Very high90.7Very high1 Ų150.9 Ų50.91%0.00624%0.235CC..  trans-85.6126167.9176.40000108.1A48 I63 E65 I88 Y95 A139 V141A48-V179 HydrophobicContact CB-CG1 3.8Å; I63-V179 HydrophobicContact CD1-CB 4.44Å; I63-V179 HydrophobicContact CD1-CG1 3.62Å; I63-V179 HydrophobicContact CD1-CG2 3.91Å; I63-V179 HydrophobicContact CG1-CG1 3.97Å; I63-V179 HydrophobicContact CG1-CG2 4.02Å; E65-V179 HydrophobicContact CG-CG1 4.33Å; E65-V179 WeakPolarHBondContact OE1-CA 3.47Å; I88-V179 HydrophobicContact CG1-CG1 4.35Å; Y95-V179 PolarHBondContact OH-O 3.15Å; A139-V179 HydrophobicContact CB-CB 3.99Å; A139-V179 HydrophobicContact CB-CG2 4.08Å; A139-V179 WeakPolarHBondContact O-CB 3.35Å; A139-V179 PolarHBondContact O-N 3.48Å; V141-V179 HydrophobicContact CB-CG2 4.27Å; V141-V179 HydrophobicContact CG1-CG2 4.19Å
180V91Very high90.7Very high52 Ų5243.4 Ų43.432%0.31520%0.2SC..  trans-89114.5177.2-1750000108.6E65 Y182E65-V180 WeakPolarHBondContact CG-O 3.35Å; E65-V180 PolarHBondContact OE1-N 2.99Å; V180-Y182 HydrophobicContact CB-CE2 4.41Å; V180-Y182 HydrophobicContact CG1-CD2 3.83Å; V180-Y182 HydrophobicContact CG1-CE1 3.93Å; V180-Y182 HydrophobicContact CG1-CE2 3.16Å; V180-Y182 HydrophobicContact CG1-CG 4.47Å; V180-Y182 WeakPolarHBondContact CG1-OH 3.43Å
181N86.9Confident90.7Very high13 Ų1342.5 Ų42.57%0.0719%0.193CC..  trans-118.5102.9-176.8-164.1-0.7000110.5G47 A48 I88 M90 F183G47-N181 WeakPolarHBondContact CA-OD1 3.02Å; A48-N181 HydrophobicContact CB-CB 4.14Å; A48-N181 PolarHBondContact N-OD1 3.14Å; I88-N181 PolarHBondContact O-ND2 3.18Å; M90-N181 PolarHBondContact O-ND2 2.86Å; N181-F183 VanDerWaalsContact CG-CE2 3.43Å; N181-F183 WeakPolarHBondContact ND2-CE2 3.46Å; N181-F183 WeakPolarHBondContact ND2-CZ 3.47Å; N181-F183 WeakPolarHBondContact OD1-CE2 3.33Å
182Y71.3Confident90.5Very high151 Ų15143.1 Ų43.159%0.59219%0.19SC*.  trans-96.5115.9176.6-59.8-67.8000109.7G47 H66 V180G47-Y182 WeakPolarHBondContact CA-O 3.42Å; G47-Y182 PolarHBondContact N-O 2.97Å; H66-Y182 HydrophobicContact CB-CD2 4.14Å; V180-Y182 HydrophobicContact CB-CE2 4.41Å; V180-Y182 HydrophobicContact CG1-CD2 3.83Å; V180-Y182 HydrophobicContact CG1-CE1 3.93Å; V180-Y182 HydrophobicContact CG1-CE2 3.16Å; V180-Y182 HydrophobicContact CG1-CG 4.47Å; V180-Y182 WeakPolarHBondContact CG1-OH 3.43Å
183F64.6Low90.1Very high104 Ų10443.5 Ų43.546%0.45619%0.188SC..  trans-101.10172.6-75.8-75.9000111.9Y4 H91 N181Y4-F183 HydrophobicContact CD1-CB 3.89Å; Y4-F183 HydrophobicContact CD1-CD1 4.29Å; Y4-F183 HydrophobicContact CD1-CG 4.31Å; Y4-F183 HydrophobicContact CE1-CB 4.37Å; Y4-F183 HydrophobicContact CG-CD1 4.28Å; H91-F183 AromaticContact CE1-CD2 3.81Å; H91-F183 AromaticContact CE1-CE2 3.59Å; H91-F183 AromaticContact ND1-CD2 3.15Å; H91-F183 WeakPolarHBondContact ND1-CD2 3.4Å; H91-F183 AromaticContact ND1-CE2 3.1Å; H91-F183 WeakPolarHBondContact ND1-CE2 3.31Å; N181-F183 VanDerWaalsContact CG-CE2 3.43Å; N181-F183 WeakPolarHBondContact ND2-CE2 3.46Å; N181-F183 WeakPolarHBondContact ND2-CZ 3.47Å; N181-F183 WeakPolarHBondContact OD1-CE2 3.33Å

Retrieved 183 of 183 residues in 1634.1 ms (Link to these results)

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