A0A077ZHF1_TRITR Loading...

Pyr redox 2 and Pyr redox domain containing prote in

AlphaFold DB , UniProt , Accession A0A077ZHF1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 340 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
1M74.5Confident92.5Very high133 Ų13346.8 Ų46.866%0.65523%0.234SC*.  0129.50-174.4-177.9-130.900105.2Y4 A27M1-Y4 HydrophobicContact CE-CE1 3.89Å; M1-Y4 WeakPolarHBondContact CE-OH 3.41Å; M1-Y4 HydrophobicContact CG-CE1 4.19Å; M1-Y4 HydrophobicContact SD-CE1 4.11Å; M1-A27 WeakPolarHBondContact O-CB 3.22Å
2D89.8Confident92.9Very high52 Ų5242.9 Ų42.928%0.27821%0.214SC..  trans-70.3157.9176.7-62.5-20.9000110.2Y4 T23 Q25 T26 A27D2-Y4 WeakPolarHBondContact O-CD1 3.44Å; D2-T23 HydrophobicContact CB-CG2 3.75Å; D2-Q25 WeakPolarHBondContact CB-O 3.49Å; D2-T26 WeakPolarHBondContact OD1-CA 3.28Å; D2-A27 PolarHBondContact OD1-N 3.43Å
3E93.1Very high93.3Very high84 Ų8440.8 Ų40.839%0.39320%0.204SC..EExtended strand (participates in β ladder)trans-78.1126.3172.4-169.3-174175.100109.6R24 Q25E3-R24 PolarHBondContact O-N 2.68Å; E3-Q25 HydrophobicContact CB-CB 4.07Å; E3-Q25 PolarHBondContact N-O 3.17Å; E3-Q25 PolarHBondContact O-N 2.8Å; E3-Q25 PolarHBondContact OE2-OE1 3.2Å
4Y94.8Very high93.6Very high32 Ų3240.8 Ų40.813%0.12521%0.209CC..EExtended strand (participates in β ladder)trans-148.9161.3173.365.3-82.1000109.8M1 D2 K6 I9 L22 S90 Q91M1-Y4 HydrophobicContact CE-CE1 3.89Å; M1-Y4 WeakPolarHBondContact CE-OH 3.41Å; M1-Y4 HydrophobicContact CG-CE1 4.19Å; M1-Y4 HydrophobicContact SD-CE1 4.11Å; D2-Y4 WeakPolarHBondContact O-CD1 3.44Å; Y4-K6 HydrophobicContact CD2-CB 4.46Å; Y4-K6 HydrophobicContact CE2-CB 3.86Å; Y4-K6 PolarHBondContact O-N 3.3Å; Y4-I9 HydrophobicContact CD2-CD1 4.37Å; Y4-I9 HydrophobicContact CE2-CD1 3.72Å; Y4-L22 WeakPolarHBondContact CB-O 3.27Å; Y4-S90 WeakPolarHBondContact OH-CA 3.48Å; Y4-Q91 HydrophobicContact CD1-CB 3.91Å; Y4-Q91 HydrophobicContact CD2-CB 4.03Å; Y4-Q91 HydrophobicContact CE1-CB 3.72Å; Y4-Q91 HydrophobicContact CE2-CB 3.83Å; Y4-Q91 HydrophobicContact CG-CB 4.08Å; Y4-Q91 PolarHBondContact OH-N 2.75Å
5N93.2Very high93.8Very high37 Ų3745.6 Ų45.620%0.19823%0.231CC..  trans-89.995.4176.8-173.432000110.2P7 D8 R24N5-P7 VanDerWaalsContact C-CD 3.46Å; N5-P7 VanDerWaalsContact C-N 3.31Å; N5-P7 VanDerWaalsContact O-N 3.16Å; N5-P7 WeakPolarHBondContact OD1-CD 3.38Å; N5-D8 VanDerWaalsContact CB-OD2 3.29Å; N5-D8 WeakPolarHBondContact CB-OD2 3.48Å; N5-D8 PolarHBondContact ND2-OD1 2.73Å; N5-D8 PolarHBondContact ND2-OD2 3.28Å; N5-D8 WeakPolarHBondContact O-CB 3.22Å; N5-D8 PolarHBondContact O-N 3.33Å; N5-R24 VanDerWaalsContact CB-NH2 3.29Å; N5-R24 PolarHBondContact ND2-NH2 2.77Å
6K94.2Very high93.9Very high62 Ų6245.1 Ų45.127%0.2724%0.24SC..G310 helixtrans-46.8-42.7-178.1176176.2171173.50114.7Y4 D8 I9 N89 D236Y4-K6 HydrophobicContact CD2-CB 4.46Å; Y4-K6 HydrophobicContact CE2-CB 3.86Å; Y4-K6 PolarHBondContact O-N 3.3Å; K6-D8 PolarHBondContact O-N 2.63Å; K6-D8 VanDerWaalsContact O-N 3.14Å; K6-I9 HydrophobicContact CG-CD1 4.31Å; K6-I9 WeakPolarHBondContact O-CB 3.4Å; K6-I9 VanDerWaalsContact O-CG1 3.32Å; K6-I9 WeakPolarHBondContact O-CG1 3.45Å; K6-I9 PolarHBondContact O-N 3.34Å; K6-I9 VanDerWaalsContact O-N 3.16Å; K6-N89 WeakPolarHBondContact CE-O 3.36Å; K6-N89 VanDerWaalsContact CE-OD1 3.24Å; K6-N89 WeakPolarHBondContact CE-OD1 3.38Å; K6-N89 PolarHBondContact NZ-O 3.11Å; K6-N89 PolarHBondContact NZ-OD1 2.92Å; K6-D236 IonicContact NZ-OD2 2.78Å
7P93.8Very high94Very high38 Ų3845.2 Ų45.225%0.24724%0.239CC..G310 helixtrans-54.6-27.4173.8-29.434.6000115.4N5 I9 S10 L248 K279N5-P7 VanDerWaalsContact C-CD 3.46Å; N5-P7 VanDerWaalsContact C-N 3.31Å; N5-P7 VanDerWaalsContact O-N 3.16Å; N5-P7 WeakPolarHBondContact OD1-CD 3.38Å; P7-I9 PolarHBondContact O-N 2.94Å; P7-S10 PolarHBondContact O-OG 3.38Å; P7-L248 HydrophobicContact CG-CD1 3.47Å; P7-L248 VanDerWaalsContact CG-CD1 3.47Å; P7-L248 HydrophobicContact CG-CG 4.03Å; P7-K279 HydrophobicContact CB-CD 4.46Å; P7-K279 PolarHBondContact O-NZ 3.14Å
8D95Very high94.2Very high52 Ų5250.6 Ų50.628%0.27826%0.256SS..G310 helixtrans-71.7-15.1-176.9-63.4-16.8000112.1N5 K6 S10 H11 L22 R24N5-D8 VanDerWaalsContact CB-OD2 3.29Å; N5-D8 WeakPolarHBondContact CB-OD2 3.48Å; N5-D8 PolarHBondContact ND2-OD1 2.73Å; N5-D8 PolarHBondContact ND2-OD2 3.28Å; N5-D8 WeakPolarHBondContact O-CB 3.22Å; N5-D8 PolarHBondContact O-N 3.33Å; K6-D8 PolarHBondContact O-N 2.63Å; K6-D8 VanDerWaalsContact O-N 3.14Å; D8-S10 PolarHBondContact O-N 3.01Å; D8-S10 VanDerWaalsContact O-N 3.11Å; D8-H11 PolarHBondContact O-N 3.19Å; D8-L22 HydrophobicContact CB-CD2 4.19Å; D8-R24 IonicContact OD2-NH2 3.92Å
9I96.4Very high94.3Very high4 Ų447.9 Ų47.92%0.02124%0.242CC..G310 helixtrans-57.2-29.2178.2-66.1171.1000112.3Y4 K6 P7 H11 V12 L22 L88 S90Y4-I9 HydrophobicContact CD2-CD1 4.37Å; Y4-I9 HydrophobicContact CE2-CD1 3.72Å; K6-I9 HydrophobicContact CG-CD1 4.31Å; K6-I9 WeakPolarHBondContact O-CB 3.4Å; K6-I9 VanDerWaalsContact O-CG1 3.32Å; K6-I9 WeakPolarHBondContact O-CG1 3.45Å; K6-I9 PolarHBondContact O-N 3.34Å; K6-I9 VanDerWaalsContact O-N 3.16Å; P7-I9 PolarHBondContact O-N 2.94Å; I9-H11 PolarHBondContact O-N 3.3Å; I9-V12 VanDerWaalsContact O-CG2 3.27Å; I9-V12 WeakPolarHBondContact O-CG2 3.08Å; I9-L22 HydrophobicContact CG1-CD1 3.88Å; I9-L88 HydrophobicContact CG2-CB 3.99Å; I9-L88 HydrophobicContact CG2-CD2 4.36Å; I9-S90 VanDerWaalsContact CD1-C 3.44Å
10S96.4Very high94.3Very high4 Ų450.3 Ų50.33%0.02826%0.256CS..G310 helixtrans-81.39.3178.659.30000114.7P7 D8 E118 D122 K279P7-S10 PolarHBondContact O-OG 3.38Å; D8-S10 PolarHBondContact O-N 3.01Å; D8-S10 VanDerWaalsContact O-N 3.11Å; S10-E118 WeakPolarHBondContact CB-OE2 3.39Å; S10-E118 PolarHBondContact OG-OE2 3.24Å; S10-D122 VanDerWaalsContact O-CB 3.23Å; S10-D122 WeakPolarHBondContact O-CB 3.38Å; S10-K279 PolarHBondContact OG-NZ 3.49Å
11H96.9Very high94.4Very high17 Ų1752.6 Ų52.68%0.07927%0.269CS..G310 helixtrans-125.41.8177-59.9-49.5000114.7D8 I9 I13 Q15 D122 K279D8-H11 PolarHBondContact O-N 3.19Å; I9-H11 PolarHBondContact O-N 3.3Å; H11-I13 VanDerWaalsContact C-N 3.29Å; H11-I13 PolarHBondContact O-N 2.84Å; H11-Q15 WeakPolarHBondContact O-CB 3.39Å; H11-Q15 VanDerWaalsContact O-CG 3.26Å; H11-Q15 WeakPolarHBondContact O-CG 3.48Å; H11-Q15 PolarHBondContact O-N 3.41Å; H11-D122 VanDerWaalsContact CA-CG 3.5Å; H11-D122 WeakPolarHBondContact CA-OD1 3.39Å; H11-K279 PolarHBondContact CE1-O 2.78Å; H11-K279 WeakPolarHBondContact NE2-CB 3.3Å; H11-K279 PolarHBondContact NE2-NZ 3.35Å; H11-K279 VanDerWaalsContact NE2-NZ 3.14Å; H11-K279 PolarHBondContact NE2-O 2.79Å
12V97.2Very high95.4Very high0 Ų046.9 Ų46.90%024%0.24CC..THydrogen-bonded Turntrans-65.4-30.6-170.2-65.50000113.1I9 G16 Q17 L22 Y94I9-V12 VanDerWaalsContact O-CG2 3.27Å; I9-V12 WeakPolarHBondContact O-CG2 3.08Å; V12-G16 PolarHBondContact O-N 3.43Å; V12-Q17 HydrophobicContact CB-CB 4.28Å; V12-Q17 HydrophobicContact CG1-CB 4.4Å; V12-Q17 PolarHBondContact O-N 2.66Å; V12-L22 HydrophobicContact CG1-CD1 3.92Å; V12-L22 HydrophobicContact CG1-CD2 3.94Å; V12-L22 HydrophobicContact CG1-CG 4.26Å; V12-Y94 HydrophobicContact CB-CD1 4.5Å; V12-Y94 HydrophobicContact CB-CE1 3.72Å; V12-Y94 HydrophobicContact CB-CE2 4.47Å; V12-Y94 HydrophobicContact CG1-CD1 4.3Å; V12-Y94 HydrophobicContact CG1-CE1 3.89Å; V12-Y94 HydrophobicContact CG2-CD1 4.21Å; V12-Y94 HydrophobicContact CG2-CD2 4.13Å; V12-Y94 HydrophobicContact CG2-CE1 3.65Å; V12-Y94 HydrophobicContact CG2-CE2 3.57Å; V12-Y94 HydrophobicContact CG2-CG 4.44Å; V12-Y94 WeakPolarHBondContact CG2-OH 3.45Å
13I97.9Very high95.7Very high16 Ų1646.3 Ų46.38%0.08224%0.239CC..THydrogen-bonded Turntrans-78.1-47.1-172.2-54.6-61.4000110.8H11 Q15 G16 Y94 L101 D122 F123 A126 K128H11-I13 VanDerWaalsContact C-N 3.29Å; H11-I13 PolarHBondContact O-N 2.84Å; I13-Q15 VanDerWaalsContact C-N 3.27Å; I13-Q15 PolarHBondContact O-N 3.42Å; I13-G16 PolarHBondContact O-N 2.99Å; I13-Y94 HydrophobicContact CD1-CE2 4.02Å; I13-L101 HydrophobicContact CD1-CB 4.02Å; I13-D122 VanDerWaalsContact CB-OD2 3.25Å; I13-D122 WeakPolarHBondContact CB-OD2 3.43Å; I13-D122 PolarHBondContact N-OD2 2.98Å; I13-F123 HydrophobicContact CB-CD2 4.43Å; I13-F123 HydrophobicContact CB-CE2 4.34Å; I13-F123 HydrophobicContact CD1-CZ 4.18Å; I13-F123 HydrophobicContact CG1-CD2 4.12Å; I13-F123 HydrophobicContact CG1-CE1 4.16Å; I13-F123 HydrophobicContact CG1-CE2 3.54Å; I13-F123 HydrophobicContact CG1-CZ 3.56Å; I13-A126 HydrophobicContact CB-CB 4.47Å; I13-A126 HydrophobicContact CG2-CB 3.6Å; I13-K128 HydrophobicContact CG2-CD 4.19Å; I13-K128 VanDerWaalsContact CG2-CE 3.4Å
14S97.4Very high95.8Very high40 Ų4049.9 Ų49.928%0.2825%0.249SC..THydrogen-bonded Turntrans-71.1-24.7177.269.80000113.1G16 D122S14-G16 VanDerWaalsContact C-N 3.32Å; S14-D122 WeakPolarHBondContact CB-O 3.46Å; S14-D122 WeakPolarHBondContact CB-OD1 3.21Å; S14-D122 PolarHBondContact N-OD1 3.04Å; S14-D122 PolarHBondContact OG-OD1 2.98Å
15Q96.5Very high95.8Very high113 Ų11349.8 Ų49.853%0.52825%0.25SC..THydrogen-bonded Turntrans-84.7-7174.5-64.2-176.61.600113.1H11 I13 Q17H11-Q15 WeakPolarHBondContact O-CB 3.39Å; H11-Q15 VanDerWaalsContact O-CG 3.26Å; H11-Q15 WeakPolarHBondContact O-CG 3.48Å; H11-Q15 PolarHBondContact O-N 3.41Å; I13-Q15 VanDerWaalsContact C-N 3.27Å; I13-Q15 PolarHBondContact O-N 3.42Å; Q15-Q17 HydrophobicContact CB-CG 3.9Å; Q15-Q17 PolarHBondContact O-N 3Å; Q15-Q17 VanDerWaalsContact OE1-CD 3.24Å
16G95.4Very high95.8Very high37 Ų3750.7 Ų50.738%0.38126%0.257SS..THydrogen-bonded Turntrans65.814.9-178.600000114.3V12 I13 S14 R102V12-G16 PolarHBondContact O-N 3.43Å; I13-G16 PolarHBondContact O-N 2.99Å; S14-G16 VanDerWaalsContact C-N 3.32Å; G16-R102 PolarHBondContact O-NH1 3.38Å
17Q96.3Very high95.7Very high48 Ų4848.4 Ų48.422%0.22425%0.249CC..  trans-69.4146.9-178.3-71.4177.9-28.600111.1V12 Q15 D21 Y94V12-Q17 HydrophobicContact CB-CB 4.28Å; V12-Q17 HydrophobicContact CG1-CB 4.4Å; V12-Q17 PolarHBondContact O-N 2.66Å; Q15-Q17 HydrophobicContact CB-CG 3.9Å; Q15-Q17 PolarHBondContact O-N 3Å; Q15-Q17 VanDerWaalsContact OE1-CD 3.24Å; Q17-D21 HydrophobicContact CB-CB 4.25Å; Q17-D21 HydrophobicContact CG-CB 4.41Å; Q17-Y94 PolarHBondContact O-OH 2.84Å
18R96.5Very high95.7Very high142 Ų14248.6 Ų48.654%0.53626%0.258SS..  trans-95.6165.8168.5-56.5-166.5174.9-139.2-0.6110.1D20 D21 E98R18-D20 PolarHBondContact O-N 2.98Å; R18-D21 PolarHBondContact N-OD2 2.93Å; R18-D21 WeakPolarHBondContact O-CB 3.42Å; R18-D21 PolarHBondContact O-N 3.1Å; R18-E98 WeakPolarHBondContact CB-OE1 3.12Å; R18-E98 VanDerWaalsContact CG-OE1 3.26Å; R18-E98 WeakPolarHBondContact CG-OE1 3.37Å
19A95.9Very high95.7Very high0 Ų051 Ų510%027%0.268CS..G310 helixtrans-56.9-36.7176.100000112.6D21 L22 Q91 Y94 R95 E98A19-D21 VanDerWaalsContact C-N 3.33Å; A19-D21 PolarHBondContact O-N 2.54Å; A19-L22 WeakPolarHBondContact O-CB 3.42Å; A19-L22 PolarHBondContact O-N 2.95Å; A19-Q91 HydrophobicContact CB-CG 4.16Å; A19-Q91 WeakPolarHBondContact O-CG 3.44Å; A19-Q91 PolarHBondContact O-NE2 3.36Å; A19-Y94 HydrophobicContact CB-CD1 3.9Å; A19-Y94 HydrophobicContact CB-CE1 4.32Å; A19-R95 HydrophobicContact CB-CB 3.57Å; A19-R95 HydrophobicContact CB-CG 4.02Å; A19-E98 PolarHBondContact N-OE2 2.89Å
20D95.1Very high95.6Very high95 Ų9554.1 Ų54.151%0.50828%0.281SS..G310 helixtrans-66-31.3176.8-70.1-41.3000113.7R18 L22 T23 R95R18-D20 PolarHBondContact O-N 2.98Å; D20-L22 PolarHBondContact O-N 2.78Å; D20-L22 VanDerWaalsContact O-N 3.17Å; D20-T23 PolarHBondContact O-N 2.75Å; D20-T23 VanDerWaalsContact O-N 3.14Å; D20-R95 IonicContact OD1-CZ 3.75Å; D20-R95 IonicContact OD1-NH1 2.98Å; D20-R95 PolarHBondContact OD1-NH1 2.99Å; D20-R95 IonicContact OD1-NH2 3.33Å; D20-R95 PolarHBondContact OD1-NH2 2.91Å; D20-R95 IonicContact OD2-NH1 2.67Å; D20-R95 PolarHBondContact OD2-NH1 3.45Å
21D96.3Very high95.5Very high99 Ų9954.7 Ų54.753%0.52929%0.286SS..G310 helixtrans-68.5-15.7-179.4-58.4-34.1000112.3Q17 R18 A19Q17-D21 HydrophobicContact CB-CB 4.25Å; Q17-D21 HydrophobicContact CG-CB 4.41Å; R18-D21 PolarHBondContact N-OD2 2.93Å; R18-D21 WeakPolarHBondContact O-CB 3.42Å; R18-D21 PolarHBondContact O-N 3.1Å; A19-D21 VanDerWaalsContact C-N 3.33Å; A19-D21 PolarHBondContact O-N 2.54Å
22L95.5Very high95.4Very high12 Ų1261.7 Ų61.76%0.06332%0.319CS..G310 helixtrans-81.5-18.8176.6-63177.9000113.4Y4 D8 I9 V12 A19 D20 R24 Q91 Y94Y4-L22 WeakPolarHBondContact CB-O 3.27Å; D8-L22 HydrophobicContact CB-CD2 4.19Å; I9-L22 HydrophobicContact CG1-CD1 3.88Å; V12-L22 HydrophobicContact CG1-CD1 3.92Å; V12-L22 HydrophobicContact CG1-CD2 3.94Å; V12-L22 HydrophobicContact CG1-CG 4.26Å; A19-L22 WeakPolarHBondContact O-CB 3.42Å; A19-L22 PolarHBondContact O-N 2.95Å; D20-L22 PolarHBondContact O-N 2.78Å; D20-L22 VanDerWaalsContact O-N 3.17Å; L22-R24 PolarHBondContact O-N 2.81Å; L22-Q91 HydrophobicContact CD1-CG 4.47Å; L22-Y94 HydrophobicContact CD1-CD1 4.26Å
23T95.9Very high95.4Very high41 Ų4167.5 Ų67.525%0.25235%0.346SS..EExtended strand (participates in β ladder)trans-69.2121.3-176.6-67.90000110.2D2 D20 Q91D2-T23 HydrophobicContact CB-CG2 3.75Å; D20-T23 PolarHBondContact O-N 2.75Å; D20-T23 VanDerWaalsContact O-N 3.14Å; T23-Q91 PolarHBondContact OG1-NE2 3.15Å
24R95.2Very high95.2Very high158 Ų15871.8 Ų71.860%0.59636%0.364SS*.EExtended strand (participates in β ladder)trans-91.2-38.8174.6-67.8-177.6173.6177.3-1.6112.5E3 N5 D8 L22E3-R24 PolarHBondContact O-N 2.68Å; N5-R24 VanDerWaalsContact CB-NH2 3.29Å; N5-R24 PolarHBondContact ND2-NH2 2.77Å; D8-R24 IonicContact OD2-NH2 3.92Å; L22-R24 PolarHBondContact O-N 2.81Å
25Q95Very high95.1Very high31 Ų3176.9 Ų76.915%0.14539%0.388CS..EExtended strand (participates in β ladder)trans-149.2138.8179.5-175.9173.641.500108.9D2 E3 E29 F30D2-Q25 WeakPolarHBondContact CB-O 3.49Å; E3-Q25 HydrophobicContact CB-CB 4.07Å; E3-Q25 PolarHBondContact N-O 3.17Å; E3-Q25 PolarHBondContact O-N 2.8Å; E3-Q25 PolarHBondContact OE2-OE1 3.2Å; Q25-E29 HydrophobicContact CG-CB 3.69Å; Q25-F30 HydrophobicContact CG-CB 4.28Å; Q25-F30 VanDerWaalsContact OE1-CD2 3.3Å
26T93.8Very high95.1Very high56 Ų5675.5 Ų75.534%0.34438%0.384SS..  trans-72.6155.3176.6660000111.4D2 G28 E29 F30D2-T26 WeakPolarHBondContact OD1-CA 3.28Å; T26-G28 PolarHBondContact O-N 3.07Å; T26-E29 WeakPolarHBondContact CB-OE2 3.46Å; T26-E29 PolarHBondContact N-OE2 3.25Å; T26-E29 PolarHBondContact O-N 3.29Å; T26-E29 WeakPolarHBondContact OG1-CB 3.29Å; T26-E29 WeakPolarHBondContact OG1-CG 3.45Å; T26-E29 PolarHBondContact OG1-N 3Å; T26-E29 PolarHBondContact OG1-OE2 3.03Å; T26-F30 WeakPolarHBondContact O-CB 3.46Å; T26-F30 PolarHBondContact O-N 3.27Å
27A92.3Very high95.1Very high14 Ų1482.1 Ų82.112%0.11641%0.405CS..Hα-helixtrans-55.8-35.9176.600000113.1M1 D2 A31 L38M1-A27 WeakPolarHBondContact O-CB 3.22Å; D2-A27 PolarHBondContact OD1-N 3.43Å; A27-A31 WeakPolarHBondContact O-CB 3.48Å; A27-A31 PolarHBondContact O-N 3.37Å; A27-L38 HydrophobicContact CB-CD2 3.76Å; A27-L38 WeakPolarHBondContact O-CD2 3.29Å
28G93Very high95Very high42 Ų4283.4 Ų83.443%0.43341%0.413SS..Hα-helixtrans-68.2-50.5178.400000112.2T26 F30 A31 E32T26-G28 PolarHBondContact O-N 3.07Å; G28-F30 VanDerWaalsContact C-N 3.31Å; G28-F30 PolarHBondContact O-N 3.11Å; G28-A31 PolarHBondContact O-N 2.86Å; G28-A31 VanDerWaalsContact O-N 3.16Å; G28-E32 PolarHBondContact O-N 3.29Å
29E94.7Very high94.8Very high102 Ų10281.9 Ų81.948%0.47741%0.41SS..Hα-helixtrans-60-41.3176.8-69.6163.315200111.8Q25 T26 E32 Q33Q25-E29 HydrophobicContact CG-CB 3.69Å; T26-E29 WeakPolarHBondContact CB-OE2 3.46Å; T26-E29 PolarHBondContact N-OE2 3.25Å; T26-E29 PolarHBondContact O-N 3.29Å; T26-E29 WeakPolarHBondContact OG1-CB 3.29Å; T26-E29 WeakPolarHBondContact OG1-CG 3.45Å; T26-E29 PolarHBondContact OG1-N 3Å; T26-E29 PolarHBondContact OG1-OE2 3.03Å; E29-E32 PolarHBondContact O-N 2.88Å; E29-Q33 VanDerWaalsContact O-CB 3.27Å; E29-Q33 WeakPolarHBondContact O-CB 3.22Å; E29-Q33 PolarHBondContact O-N 3.12Å
30F93.5Very high94.6Very high70 Ų7085.2 Ų85.231%0.30743%0.432SS..Hα-helixtrans-62.1-44176.2-173.5-84.5000111.3Q25 T26 G28 Q33 F34 L36Q25-F30 HydrophobicContact CG-CB 4.28Å; Q25-F30 VanDerWaalsContact OE1-CD2 3.3Å; T26-F30 WeakPolarHBondContact O-CB 3.46Å; T26-F30 PolarHBondContact O-N 3.27Å; G28-F30 VanDerWaalsContact C-N 3.31Å; G28-F30 PolarHBondContact O-N 3.11Å; F30-Q33 PolarHBondContact O-N 2.89Å; F30-F34 AromaticContact CD1-CD2 3.96Å; F30-F34 HydrophobicContact CD1-CD2 3.96Å; F30-F34 AromaticContact CD2-CD2 3.82Å; F30-F34 HydrophobicContact CD2-CD2 3.82Å; F30-F34 AromaticContact CD2-CE2 3.69Å; F30-F34 HydrophobicContact CD2-CE2 3.69Å; F30-F34 AromaticContact CE1-CD2 3.77Å; F30-F34 HydrophobicContact CE1-CD2 3.77Å; F30-F34 HydrophobicContact CE1-CE2 4.38Å; F30-F34 AromaticContact CE2-CD2 3.62Å; F30-F34 HydrophobicContact CE2-CD2 3.62Å; F30-F34 AromaticContact CE2-CE2 3.37Å; F30-F34 HydrophobicContact CE2-CE2 3.37Å; F30-F34 HydrophobicContact CE2-CZ 4.39Å; F30-F34 AromaticContact CG-CD2 3.98Å; F30-F34 HydrophobicContact CG-CD2 3.98Å; F30-F34 HydrophobicContact CG-CE2 4.3Å; F30-F34 AromaticContact CZ-CD2 3.58Å; F30-F34 HydrophobicContact CZ-CD2 3.58Å; F30-F34 AromaticContact CZ-CE2 3.75Å; F30-F34 HydrophobicContact CZ-CE2 3.75Å; F30-F34 HydrophobicContact CZ-CG 4.44Å; F30-F34 WeakPolarHBondContact O-CD2 3.31Å; F30-F34 PolarHBondContact O-N 3Å; F30-L36 HydrophobicContact CD1-CD1 3.97Å; F30-L36 HydrophobicContact CE1-CD1 3.6Å
31A95.5Very high94.3Very high15 Ų1590.6 Ų90.612%0.12445%0.454CS..Hα-helixtrans-64.1-42.2179.200000112.3A27 G28 N35 L36 L38A27-A31 WeakPolarHBondContact O-CB 3.48Å; A27-A31 PolarHBondContact O-N 3.37Å; G28-A31 PolarHBondContact O-N 2.86Å; G28-A31 VanDerWaalsContact O-N 3.16Å; A31-N35 WeakPolarHBondContact O-CA 3.48Å; A31-N35 PolarHBondContact O-N 2.54Å; A31-L36 HydrophobicContact CB-CB 4.45Å; A31-L36 PolarHBondContact O-N 3.45Å; A31-L38 HydrophobicContact CB-CB 3.83Å; A31-L38 HydrophobicContact CB-CD2 4.27Å
32E95.5Very high94.2Very high164 Ų16488.3 Ų88.377%0.76644%0.443SS*.Hα-helixtrans-64.8-46.4175.2-71.1179-175.900111.6G28 E29 F34 N35G28-E32 PolarHBondContact O-N 3.29Å; E29-E32 PolarHBondContact O-N 2.88Å; E32-F34 VanDerWaalsContact C-N 3.32Å; E32-F34 PolarHBondContact O-N 3.41Å; E32-N35 PolarHBondContact O-N 3.4Å
33Q96.1Very high94.2Very high122 Ų12296.8 Ų96.857%0.5748%0.475SS*.Hα-helixtrans-59.8-40.8-179176.9175.7-18.400112.7E29 F30E29-Q33 VanDerWaalsContact O-CB 3.27Å; E29-Q33 WeakPolarHBondContact O-CB 3.22Å; E29-Q33 PolarHBondContact O-N 3.12Å; F30-Q33 PolarHBondContact O-N 2.89Å
34F94.3Very high94.2Very high107 Ų10796.9 Ų96.947%0.46948%0.475SS..THydrogen-bonded Turntrans-101.68.9-176.4-66-72.1000113.7F30 E32 L36F30-F34 AromaticContact CD1-CD2 3.96Å; F30-F34 HydrophobicContact CD1-CD2 3.96Å; F30-F34 AromaticContact CD2-CD2 3.82Å; F30-F34 HydrophobicContact CD2-CD2 3.82Å; F30-F34 AromaticContact CD2-CE2 3.69Å; F30-F34 HydrophobicContact CD2-CE2 3.69Å; F30-F34 AromaticContact CE1-CD2 3.77Å; F30-F34 HydrophobicContact CE1-CD2 3.77Å; F30-F34 HydrophobicContact CE1-CE2 4.38Å; F30-F34 AromaticContact CE2-CD2 3.62Å; F30-F34 HydrophobicContact CE2-CD2 3.62Å; F30-F34 AromaticContact CE2-CE2 3.37Å; F30-F34 HydrophobicContact CE2-CE2 3.37Å; F30-F34 HydrophobicContact CE2-CZ 4.39Å; F30-F34 AromaticContact CG-CD2 3.98Å; F30-F34 HydrophobicContact CG-CD2 3.98Å; F30-F34 HydrophobicContact CG-CE2 4.3Å; F30-F34 AromaticContact CZ-CD2 3.58Å; F30-F34 HydrophobicContact CZ-CD2 3.58Å; F30-F34 AromaticContact CZ-CE2 3.75Å; F30-F34 HydrophobicContact CZ-CE2 3.75Å; F30-F34 HydrophobicContact CZ-CG 4.44Å; F30-F34 WeakPolarHBondContact O-CD2 3.31Å; F30-F34 PolarHBondContact O-N 3Å; E32-F34 VanDerWaalsContact C-N 3.32Å; E32-F34 PolarHBondContact O-N 3.41Å; F34-L36 HydrophobicContact CB-CD1 3.9Å; F34-L36 HydrophobicContact CB-CD2 4.47Å; F34-L36 HydrophobicContact CB-CG 3.84Å; F34-L36 PolarHBondContact O-N 2.97Å
35N95.8Very high94.3Very high147 Ų14792.1 Ų92.179%0.78646%0.464SS*.THydrogen-bonded Turntrans50.853.8-178.9-170.339.1000112.8A31 E32A31-N35 WeakPolarHBondContact O-CA 3.48Å; A31-N35 PolarHBondContact O-N 2.54Å; E32-N35 PolarHBondContact O-N 3.4Å
36L95.8Very high94.5Very high84 Ų8493.1 Ų93.144%0.4447%0.47SS..  trans-107.4137.6-176.4-57.6175.6000111.4F30 A31 F34 L38F30-L36 HydrophobicContact CD1-CD1 3.97Å; F30-L36 HydrophobicContact CE1-CD1 3.6Å; A31-L36 HydrophobicContact CB-CB 4.45Å; A31-L36 PolarHBondContact O-N 3.45Å; F34-L36 HydrophobicContact CB-CD1 3.9Å; F34-L36 HydrophobicContact CB-CD2 4.47Å; F34-L36 HydrophobicContact CB-CG 3.84Å; F34-L36 PolarHBondContact O-N 2.97Å; L36-L38 PolarHBondContact O-N 3.26Å
37H95.1Very high94.7Very high175 Ų17590.8 Ų90.881%0.8146%0.455SS*.  trans-78.596.6158.3-69.4-74000109F39H37-F39 HydrophobicContact CB-CE2 4.02Å; H37-F39 HydrophobicContact CB-CZ 4.32Å
38L94Very high94.9Very high76 Ų7692.7 Ų92.740%0.39846%0.464SS..  trans-94.6124.8178.1-172.664000110.6A27 A31 L36 P40A27-L38 HydrophobicContact CB-CD2 3.76Å; A27-L38 WeakPolarHBondContact O-CD2 3.29Å; A31-L38 HydrophobicContact CB-CB 3.83Å; A31-L38 HydrophobicContact CB-CD2 4.27Å; L36-L38 PolarHBondContact O-N 3.26Å; L38-P40 VanDerWaalsContact C-CD 3.45Å; L38-P40 WeakPolarHBondContact O-CD 3.29Å
39F93.1Very high95.1Very high110 Ų11091.6 Ų91.648%0.48245%0.451SS..  trans-106.678.9173.9-58-85.7000109.4H37 T42 W61H37-F39 HydrophobicContact CB-CE2 4.02Å; H37-F39 HydrophobicContact CB-CZ 4.32Å; F39-T42 HydrophobicContact CB-CG2 4.37Å; F39-T42 VanDerWaalsContact O-CB 3.32Å; F39-T42 WeakPolarHBondContact O-CB 3.33Å; F39-T42 PolarHBondContact O-OG1 3.49Å; F39-W61 HydrophobicContact CD1-CZ2 4.06Å; F39-W61 HydrophobicContact CE1-CZ2 4.21Å; F39-W61 AromaticContact CE1-NE1 3.93Å; F39-W61 AromaticContact CE2-NE1 3.95Å; F39-W61 HydrophobicContact CG-CZ2 4.25Å; F39-W61 AromaticContact CZ-NE1 3.58Å
40P90.5Very high95.2Very high70 Ų7095.8 Ų95.846%0.45547%0.47SS..THydrogen-bonded Turntrans-64.3160.4176.930.8-35.6000110.5L38 T42L38-P40 VanDerWaalsContact C-CD 3.45Å; L38-P40 WeakPolarHBondContact O-CD 3.29Å; P40-T42 PolarHBondContact O-N 3.12Å; P40-T42 PolarHBondContact O-OG1 3.16Å
41Q89Confident95.4Very high207 Ų20795.2 Ų95.297%0.96748%0.478SS*.THydrogen-bonded Turntrans54.422.7178.1-58.9175-17.400113.9
42T94Very high95.5Very high51 Ų5199.3 Ų99.331%0.31349%0.49SS..  trans-107.7111.9-179.9-620000108.9F39 P40 W61F39-T42 HydrophobicContact CB-CG2 4.37Å; F39-T42 VanDerWaalsContact O-CB 3.32Å; F39-T42 WeakPolarHBondContact O-CB 3.33Å; F39-T42 PolarHBondContact O-OG1 3.49Å; P40-T42 PolarHBondContact O-N 3.12Å; P40-T42 PolarHBondContact O-OG1 3.16Å; T42-W61 HydrophobicContact CG2-CH2 3.67Å; T42-W61 HydrophobicContact CG2-CZ3 4.35Å
43W95.3Very high95.7Very high191 Ų19192.2 Ų92.272%0.72346%0.458SS*.  trans-90.8114.3177-168.1-96000110T45 S56W43-T45 PolarHBondContact O-N 2.83Å; W43-S56 VanDerWaalsContact O-CB 3.31Å; W43-S56 WeakPolarHBondContact O-CB 3.26Å; W43-S56 PolarHBondContact O-OG 3.09Å
44V97.7Very high95.8Very high43 Ų4387.3 Ų87.326%0.26144%0.436SS..EExtended strand (participates in β ladder)trans-71.8122.2171179.40000107.7V54 K55 L206V44-V54 HydrophobicContact CG1-CB 4.22Å; V44-K55 CarbonylContact C-O 3.55Å; V44-K55 WeakPolarHBondContact CA-O 3.31Å; V44-K55 WeakPolarHBondContact CG1-O 3.38Å; V44-L206 HydrophobicContact CB-CD1 4.05Å; V44-L206 HydrophobicContact CG1-CD1 4.05Å; V44-L206 HydrophobicContact CG1-CD2 3.93Å; V44-L206 WeakPolarHBondContact O-CD2 3.37Å
45T96.8Very high95.9Very high58 Ų5884.5 Ų84.536%0.35642%0.424SS..EExtended strand (participates in β ladder)trans-99.2-29.1-176.248.50000112.1W43 K55 R209W43-T45 PolarHBondContact O-N 2.83Å; T45-K55 PolarHBondContact N-O 3.4Å; T45-K55 PolarHBondContact OG1-O 2.92Å; T45-R209 PolarHBondContact O-NE 2.85Å; T45-R209 PolarHBondContact O-NH2 2.98Å
46D98.2Very high96Very high51 Ų5178.3 Ų78.327%0.27339%0.392SS..EExtended strand (participates in β ladder)trans-153.1160.6-174.4-163.330.8000113K55D46-K55 HydrophobicContact CB-CB 4.17Å; D46-K55 HydrophobicContact CB-CD 4.32Å; D46-K55 PolarHBondContact N-O 3.34Å; D46-K55 PolarHBondContact O-N 3.17Å
47I98.6Very high95.7Very high7 Ų782.1 Ų82.14%0.03641%0.408CS..EExtended strand (participates in β ladder)trans-134.4119.5176.9-55.5167.1000107.9A49 V54 Y63 L66 L68 L206 A210 I231I47-A49 PolarHBondContact O-N 3.01Å; I47-V54 HydrophobicContact CG1-CG1 4.28Å; I47-Y63 HydrophobicContact CG2-CE1 4.3Å; I47-L66 HydrophobicContact CD1-CD2 3.83Å; I47-L66 HydrophobicContact CG1-CD2 4.23Å; I47-L66 HydrophobicContact CG2-CD2 3.84Å; I47-L68 HydrophobicContact CD1-CD2 3.74Å; I47-L206 HydrophobicContact CD1-CB 4.04Å; I47-L206 HydrophobicContact CD1-CD2 4.47Å; I47-L206 HydrophobicContact CG1-CD2 4.28Å; I47-A210 HydrophobicContact CB-CB 3.83Å; I47-A210 HydrophobicContact CD1-CB 4.12Å; I47-A210 HydrophobicContact CG2-CB 4.14Å; I47-I231 HydrophobicContact CG2-CD1 4.23Å
48D97.3Very high95.5Very high55 Ų5580.3 Ų80.329%0.29440%0.404SS..EExtended strand (participates in β ladder)trans-91.992.9168.5-163.9-39.1000108.5E50 A51 R52 V53 K55D48-E50 VanDerWaalsContact C-N 3.3Å; D48-E50 PolarHBondContact O-N 3.45Å; D48-A51 HydrophobicContact CB-CB 4.19Å; D48-A51 WeakPolarHBondContact OD1-CB 3.37Å; D48-A51 PolarHBondContact OD1-N 3.43Å; D48-R52 WeakPolarHBondContact O-CA 3.4Å; D48-R52 PolarHBondContact O-N 3.22Å; D48-V53 HydrophobicContact CB-CB 4.2Å; D48-V53 PolarHBondContact N-O 2.85Å; D48-V53 PolarHBondContact O-N 3.44Å; D48-K55 IonicContact OD2-NZ 2.8Å; D48-K55 PolarHBondContact OD2-NZ 3.01Å
49A97.3Very high95.6Very high19 Ų1980.6 Ų80.616%0.15741%0.406CS..THydrogen-bonded Turntrans-69.3-28.9-171.700000112.9I47 I231I47-A49 PolarHBondContact O-N 3.01Å; A49-I231 HydrophobicContact CB-CD1 4Å
50E95.8Very high95.8Very high190 Ų19081.6 Ų81.689%0.88841%0.412SS*.THydrogen-bonded Turntrans-76.1-47.2178.3-174.9175.7-174.900110.9D48 R52D48-E50 VanDerWaalsContact C-N 3.3Å; D48-E50 PolarHBondContact O-N 3.45Å; E50-R52 PolarHBondContact O-N 3.12Å
51A97.2Very high96.2Very high57 Ų5781.4 Ų81.447%0.47140%0.403SS..THydrogen-bonded Turntrans-76.5-7.3176.200000113.6D48 V53D48-A51 HydrophobicContact CB-CB 4.19Å; D48-A51 WeakPolarHBondContact OD1-CB 3.37Å; D48-A51 PolarHBondContact OD1-N 3.43Å; A51-V53 HydrophobicContact CB-CG2 4.2Å
52R98.3Very high96.6Very high102 Ų10279.8 Ų79.839%0.38540%0.395SS..THydrogen-bonded Turntrans53.550.8-172.5-56.3-179.2179.2176.5-1.3113.2D48 E50 Q62 Y63 D230D48-R52 WeakPolarHBondContact O-CA 3.4Å; D48-R52 PolarHBondContact O-N 3.22Å; E50-R52 PolarHBondContact O-N 3.12Å; R52-Q62 CarbonylContact O-C 3.59Å; R52-Q62 WeakPolarHBondContact O-CA 3.27Å; R52-Y63 VanDerWaalsContact C-CD1 3.48Å; R52-Y63 VanDerWaalsContact CA-CZ 3.48Å; R52-Y63 HydrophobicContact CB-CD1 4.49Å; R52-Y63 HydrophobicContact CB-CD2 4.02Å; R52-Y63 HydrophobicContact CB-CE1 4.28Å; R52-Y63 HydrophobicContact CB-CE2 3.76Å; R52-Y63 HydrophobicContact CB-CG 4.38Å; R52-Y63 VanDerWaalsContact CB-O 3.3Å; R52-Y63 WeakPolarHBondContact CB-O 3.21Å; R52-Y63 HydrophobicContact CG-CE2 4.08Å; R52-Y63 VanDerWaalsContact O-CD1 3.22Å; R52-Y63 WeakPolarHBondContact O-CD1 3.35Å; R52-Y63 WeakPolarHBondContact O-CE1 3.38Å; R52-Y63 PolarHBondContact O-N 3.15Å; R52-D230 IonicContact CZ-OD2 2.7Å; R52-D230 IonicContact NE-OD2 2.68Å; R52-D230 PolarHBondContact NE-OD2 3.07Å; R52-D230 VanDerWaalsContact NE-OD2 3.13Å; R52-D230 IonicContact NH2-OD1 3.3Å; R52-D230 IonicContact NH2-OD2 3.13Å; R52-D230 PolarHBondContact NH2-OD2 2.99Å
53V98.6Very high96.9Very high14 Ų1478.6 Ų78.69%0.08539%0.385CS..EExtended strand (participates in β ladder)trans-122.8129.4-178.9174.80000111.2D48 A51 K55 Q60 W61 Q62D48-V53 HydrophobicContact CB-CB 4.2Å; D48-V53 PolarHBondContact N-O 2.85Å; D48-V53 PolarHBondContact O-N 3.44Å; A51-V53 HydrophobicContact CB-CG2 4.2Å; V53-K55 HydrophobicContact CG1-CG 4.01Å; V53-Q60 HydrophobicContact CG1-CB 3.83Å; V53-Q60 HydrophobicContact CG1-CG 4.38Å; V53-W61 CarbonylContact C-O 3.5Å; V53-W61 WeakPolarHBondContact CA-O 3.44Å; V53-Q62 HydrophobicContact CG2-CG 3.94Å
54V98.4Very high97Very high19 Ų1975.8 Ų75.812%0.11538%0.384CS..EExtended strand (participates in β ladder)trans-94.1138.1164.1-66.80000110V44 I47 Q60 W61 Y63 L66V44-V54 HydrophobicContact CG1-CB 4.22Å; I47-V54 HydrophobicContact CG1-CG1 4.28Å; V54-Q60 VanDerWaalsContact O-CA 3.31Å; V54-Q60 WeakPolarHBondContact O-CA 3.39Å; V54-W61 HydrophobicContact CG2-CB 3.89Å; V54-W61 HydrophobicContact CG2-CE3 4.01Å; V54-W61 PolarHBondContact N-O 3.06Å; V54-W61 PolarHBondContact O-N 3.11Å; V54-Y63 HydrophobicContact CG1-CD1 3.86Å; V54-Y63 HydrophobicContact CG1-CE1 3.89Å; V54-L66 HydrophobicContact CG1-CD1 3.71Å; V54-L66 HydrophobicContact CG1-CD2 3.75Å; V54-L66 HydrophobicContact CG1-CG 4.39Å
55K98.2Very high97Very high48 Ų4878.1 Ų78.121%0.20939%0.391CS..EExtended strand (participates in β ladder)trans-119.6133.4-175.8-53.3176.1-176.6158.80109.9V44 T45 D46 D48 V53 Q60V44-K55 CarbonylContact C-O 3.55Å; V44-K55 WeakPolarHBondContact CA-O 3.31Å; V44-K55 WeakPolarHBondContact CG1-O 3.38Å; T45-K55 PolarHBondContact N-O 3.4Å; T45-K55 PolarHBondContact OG1-O 2.92Å; D46-K55 HydrophobicContact CB-CB 4.17Å; D46-K55 HydrophobicContact CB-CD 4.32Å; D46-K55 PolarHBondContact N-O 3.34Å; D46-K55 PolarHBondContact O-N 3.17Å; D48-K55 IonicContact OD2-NZ 2.8Å; D48-K55 PolarHBondContact OD2-NZ 3.01Å; V53-K55 HydrophobicContact CG1-CG 4.01Å; K55-Q60 HydrophobicContact CB-CG 4.35Å; K55-Q60 HydrophobicContact CG-CG 4.02Å
56S96.1Very high97.1Very high17 Ų1776.5 Ų76.512%0.11938%0.38CS..EExtended strand (participates in β ladder)trans-113.9179.1162.4-174.70000108.6W43 N58 N59W43-S56 VanDerWaalsContact O-CB 3.31Å; W43-S56 WeakPolarHBondContact O-CB 3.26Å; W43-S56 PolarHBondContact O-OG 3.09Å; S56-N58 VanDerWaalsContact C-N 3.27Å; S56-N58 PolarHBondContact O-N 2.8Å; S56-N58 VanDerWaalsContact O-N 3.15Å; S56-N59 PolarHBondContact N-O 2.95Å
57Q91.1Very high97.1Very high164 Ų16476.6 Ų76.677%0.76638%0.382SS*.SBendtrans-48.5-46.6-175-173.8-179.62.800113.2
58N90.5Very high97.1Very high137 Ų13776.7 Ų76.773%0.73338%0.383SS*.SBendtrans-123.63.4-175.2-62.3-33.7000113.9S56S56-N58 VanDerWaalsContact C-N 3.27Å; S56-N58 PolarHBondContact O-N 2.8Å; S56-N58 VanDerWaalsContact O-N 3.15Å
59N96.1Very high97.1Very high82 Ų8277.2 Ų77.244%0.43940%0.395SS..  trans-134.9149.8-171.2-68.2-52.9000110.9S56 W61S56-N59 PolarHBondContact N-O 2.95Å; N59-W61 HydrophobicContact CB-CE3 4.25Å; N59-W61 HydrophobicContact CB-CH2 3.16Å; N59-W61 HydrophobicContact CB-CZ2 3.45Å; N59-W61 VanDerWaalsContact CB-CZ2 3.45Å; N59-W61 HydrophobicContact CB-CZ3 3.6Å
60Q97.6Very high97.2Very high132 Ų13278.9 Ų78.962%0.61740%0.403SS*.EExtended strand (participates in β ladder)trans-137.4144.6173-59-171.716.800109.3V53 V54 K55V53-Q60 HydrophobicContact CG1-CB 3.83Å; V53-Q60 HydrophobicContact CG1-CG 4.38Å; V54-Q60 VanDerWaalsContact O-CA 3.31Å; V54-Q60 WeakPolarHBondContact O-CA 3.39Å; K55-Q60 HydrophobicContact CB-CG 4.35Å; K55-Q60 HydrophobicContact CG-CG 4.02Å
61W98.2Very high97.2Very high66 Ų6670.8 Ų70.825%0.2537%0.37CS..EExtended strand (participates in β ladder)trans-135.2132.2178-56.4-95.7000109.7F39 T42 V53 V54 N59F39-W61 HydrophobicContact CD1-CZ2 4.06Å; F39-W61 HydrophobicContact CE1-CZ2 4.21Å; F39-W61 AromaticContact CE1-NE1 3.93Å; F39-W61 AromaticContact CE2-NE1 3.95Å; F39-W61 HydrophobicContact CG-CZ2 4.25Å; F39-W61 AromaticContact CZ-NE1 3.58Å; T42-W61 HydrophobicContact CG2-CH2 3.67Å; T42-W61 HydrophobicContact CG2-CZ3 4.35Å; V53-W61 CarbonylContact C-O 3.5Å; V53-W61 WeakPolarHBondContact CA-O 3.44Å; V54-W61 HydrophobicContact CG2-CB 3.89Å; V54-W61 HydrophobicContact CG2-CE3 4.01Å; V54-W61 PolarHBondContact N-O 3.06Å; V54-W61 PolarHBondContact O-N 3.11Å; N59-W61 HydrophobicContact CB-CE3 4.25Å; N59-W61 HydrophobicContact CB-CH2 3.16Å; N59-W61 HydrophobicContact CB-CZ2 3.45Å; N59-W61 VanDerWaalsContact CB-CZ2 3.45Å; N59-W61 HydrophobicContact CB-CZ3 3.6Å
62Q98.3Very high97.2Very high173 Ų17368.6 Ų68.681%0.80835%0.352SS*.EExtended strand (participates in β ladder)trans-74.8147.2167.6-73.4-179.4-5.300109.9R52 V53R52-Q62 CarbonylContact O-C 3.59Å; R52-Q62 WeakPolarHBondContact O-CA 3.27Å; V53-Q62 HydrophobicContact CG2-CG 3.94Å
63Y98.3Very high97.1Very high25 Ų2565.6 Ų65.610%0.09835%0.347CS..  trans-133.1149.1174.663.2-100.6000111.3I47 R52 V54 L66I47-Y63 HydrophobicContact CG2-CE1 4.3Å; R52-Y63 VanDerWaalsContact C-CD1 3.48Å; R52-Y63 VanDerWaalsContact CA-CZ 3.48Å; R52-Y63 HydrophobicContact CB-CD1 4.49Å; R52-Y63 HydrophobicContact CB-CD2 4.02Å; R52-Y63 HydrophobicContact CB-CE1 4.28Å; R52-Y63 HydrophobicContact CB-CE2 3.76Å; R52-Y63 HydrophobicContact CB-CG 4.38Å; R52-Y63 VanDerWaalsContact CB-O 3.3Å; R52-Y63 WeakPolarHBondContact CB-O 3.21Å; R52-Y63 HydrophobicContact CG-CE2 4.08Å; R52-Y63 VanDerWaalsContact O-CD1 3.22Å; R52-Y63 WeakPolarHBondContact O-CD1 3.35Å; R52-Y63 WeakPolarHBondContact O-CE1 3.38Å; R52-Y63 PolarHBondContact O-N 3.15Å; V54-Y63 HydrophobicContact CG1-CD1 3.86Å; V54-Y63 HydrophobicContact CG1-CE1 3.89Å; Y63-L66 HydrophobicContact CD1-CB 4.32Å; Y63-L66 HydrophobicContact CD1-CD2 4.47Å; Y63-L66 HydrophobicContact CD2-CB 3.78Å; Y63-L66 HydrophobicContact CE1-CB 4.27Å; Y63-L66 HydrophobicContact CE1-CD2 3.94Å; Y63-L66 HydrophobicContact CE2-CB 3.76Å; Y63-L66 HydrophobicContact CG-CB 4.07Å
64D97.8Very high97.1Very high133 Ų13365.8 Ų65.871%0.71135%0.35SS*.SBendtrans-84.7-42.4166.1-63.8-57.5000110.9
65K98.3Very high97Very high91 Ų9168 Ų6840%0.39636%0.358SS..SBendtrans-136.3142.3176-60.7-62-172.1177.20109.4T229 D230 Y232 L262K65-T229 PolarHBondContact NZ-O 3.03Å; K65-D230 WeakPolarHBondContact CA-O 3.48Å; K65-D230 HydrophobicContact CD-CB 4.24Å; K65-D230 IonicContact NZ-OD1 3.94Å; K65-D230 PolarHBondContact NZ-OD1 2.89Å; K65-Y232 HydrophobicContact CD-CE2 4.12Å; K65-L262 HydrophobicContact CB-CD2 3.84Å; K65-L262 HydrophobicContact CG-CD2 4.17Å
66L98.7Very high97Very high24 Ų2467.2 Ų67.213%0.12636%0.358CS..EExtended strand (participates in β ladder)trans-120.8136179.6178.962.6000110.6I47 V54 Y63 L68 D230 I231 Y232I47-L66 HydrophobicContact CD1-CD2 3.83Å; I47-L66 HydrophobicContact CG1-CD2 4.23Å; I47-L66 HydrophobicContact CG2-CD2 3.84Å; V54-L66 HydrophobicContact CG1-CD1 3.71Å; V54-L66 HydrophobicContact CG1-CD2 3.75Å; V54-L66 HydrophobicContact CG1-CG 4.39Å; Y63-L66 HydrophobicContact CD1-CB 4.32Å; Y63-L66 HydrophobicContact CD1-CD2 4.47Å; Y63-L66 HydrophobicContact CD2-CB 3.78Å; Y63-L66 HydrophobicContact CE1-CB 4.27Å; Y63-L66 HydrophobicContact CE1-CD2 3.94Å; Y63-L66 HydrophobicContact CE2-CB 3.76Å; Y63-L66 HydrophobicContact CG-CB 4.07Å; L66-L68 HydrophobicContact CD2-CD2 4.04Å; L66-L68 HydrophobicContact CG-CD2 4.15Å; L66-D230 PolarHBondContact N-O 2.87Å; L66-I231 HydrophobicContact CB-CG1 4.18Å; L66-I231 HydrophobicContact CB-CG2 4.4Å; L66-I231 HydrophobicContact CD2-CD1 4.31Å; L66-I231 HydrophobicContact CD2-CG1 4.26Å; L66-I231 HydrophobicContact CD2-CG2 4.26Å; L66-I231 HydrophobicContact CG-CG2 4.35Å; L66-I231 CarbonylContact O-C 3.57Å; L66-I231 WeakPolarHBondContact O-CA 3.45Å; L66-Y232 PolarHBondContact O-N 2.9Å
67V98.8Very high97Very high54 Ų5467.3 Ų67.333%0.32736%0.358SS..EExtended strand (participates in β ladder)trans-116.3121172.9-176.80000109.4L234 L258 L262V67-L234 HydrophobicContact CG1-CD2 4.36Å; V67-L234 HydrophobicContact CG1-CG 4.14Å; V67-L258 HydrophobicContact CB-CD2 4.33Å; V67-L258 HydrophobicContact CG1-CD2 3.54Å; V67-L258 HydrophobicContact CG2-CD2 3.8Å; V67-L262 HydrophobicContact CG2-CD1 3.8Å; V67-L262 HydrophobicContact CG2-CD2 4.48Å
68L98.8Very high97.3Very high8 Ų864.7 Ų64.74%0.04236%0.355CS..EExtended strand (participates in β ladder)trans-85.8111.4170.2-54.3-174.9000109.1I47 L66 A207 L212 I231 Y232 A233 L234 C237I47-L68 HydrophobicContact CD1-CD2 3.74Å; L66-L68 HydrophobicContact CD2-CD2 4.04Å; L66-L68 HydrophobicContact CG-CD2 4.15Å; L68-A207 HydrophobicContact CD1-CB 3.7Å; L68-L212 HydrophobicContact CD1-CD1 3.78Å; L68-I231 HydrophobicContact CD1-CG2 4.07Å; L68-I231 HydrophobicContact CG-CG2 3.93Å; L68-Y232 PolarHBondContact N-O 2.95Å; L68-A233 HydrophobicContact CB-CB 4.07Å; L68-A233 VanDerWaalsContact O-CA 3.28Å; L68-A233 WeakPolarHBondContact O-CA 3.49Å; L68-L234 PolarHBondContact O-N 2.76Å; L68-C237 PolarHBondContact O-SG 2.91Å; L68-C237 VanDerWaalsContact O-SG 3.42Å
69A97.7Very high97.7Very high66 Ų6659 Ų5955%0.54533%0.325SS..  trans-124.345.417400000109.9G71 L234A69-G71 PolarHBondContact O-N 2.61Å; A69-L234 HydrophobicContact CB-CD1 3.92Å
70T97.5Very high97.8Very high55 Ų5559.8 Ų59.834%0.33734%0.335SS..  trans-76.6-4.8-17147.40000113.9E203 L206 C237T70-E203 WeakPolarHBondContact O-CB 3.47Å; T70-E203 PolarHBondContact OG1-O 2.9Å; T70-L206 HydrophobicContact CG2-CD1 4.07Å; T70-C237 VanDerWaalsContact OG1-CB 3.28Å; T70-C237 WeakPolarHBondContact OG1-CB 3.23Å
71G96.8Very high97.9Very high19 Ų1954 Ų5420%0.19631%0.311CS..  trans66.6-149.7175.800000113.5A69 E203 C237A69-G71 PolarHBondContact O-N 2.61Å; G71-E203 WeakPolarHBondContact O-CB 3.47Å; G71-E203 PolarHBondContact O-N 3.44Å; G71-C237 WeakPolarHBondContact O-CA 3.24Å; G71-C237 VanDerWaalsContact O-CB 3.28Å; G71-C237 WeakPolarHBondContact O-CB 3.34Å; G71-C237 PolarHBondContact O-N 3.3Å
72A97.6Very high97.9Very high11 Ų1157.3 Ų57.39%0.09132%0.323CS..EExtended strand (participates in β ladder)trans-142.3151.9178.200000109.8N89 L200 R201 D236A72-N89 PolarHBondContact O-ND2 3.1Å; A72-L200 HydrophobicContact CB-CB 3.92Å; A72-L200 HydrophobicContact CB-CD1 4.36Å; A72-R201 CarbonylContact C-O 3.59Å; A72-R201 WeakPolarHBondContact CA-O 3.5Å; A72-R201 WeakPolarHBondContact CB-O 3.41Å; A72-D236 HydrophobicContact CB-CB 3.57Å
73S96.6Very high97.9Very high39 Ų3956 Ų5627%0.27332%0.317SS..EExtended strand (participates in β ladder)trans-100.3154.4172.253.60000111.5F75 L200 R201 E203S73-F75 PolarHBondContact O-N 2.9Å; S73-L200 CarbonylContact O-C 3.57Å; S73-L200 WeakPolarHBondContact O-CA 3.26Å; S73-R201 PolarHBondContact N-O 2.94Å; S73-R201 PolarHBondContact O-N 3.36Å; S73-E203 WeakPolarHBondContact CB-OE1 3.29Å; S73-E203 PolarHBondContact OG-OE1 2.68Å
74A97.1Very high97.9Very high19 Ų1956.8 Ų56.816%0.15732%0.323CS..EExtended strand (participates in β ladder)trans-61.7130.2170.100000110.3V76 T87 N89A74-V76 PolarHBondContact O-N 3.42Å; A74-T87 HydrophobicContact CB-CG2 3.62Å; A74-N89 HydrophobicContact CB-CB 4.2Å
75F96.7Very high97.9Very high65 Ų6551.1 Ų51.129%0.28529%0.292SS..  trans-77.4114.7172.4174.6-115.4000109.2S73 T198 G199S73-F75 PolarHBondContact O-N 2.9Å; F75-T198 PolarHBondContact O-OG1 3.36Å; F75-G199 PolarHBondContact N-O 3.35Å
76V98Very high97.9Very high32 Ų3247.9 Ų47.919%0.19428%0.279CS..  trans-93.6126.4173.1-175.60000109.2A74 R82 M85 T87 A196A74-V76 PolarHBondContact O-N 3.42Å; V76-R82 HydrophobicContact CG1-CB 3.96Å; V76-M85 HydrophobicContact CG1-CB 4.12Å; V76-M85 HydrophobicContact CG1-CG 4.34Å; V76-M85 HydrophobicContact CG1-SD 3.64Å; V76-T87 HydrophobicContact CG2-CG2 3.65Å; V76-A196 HydrophobicContact CG1-CB 4.47Å; V76-A196 HydrophobicContact CG2-CB 4.18Å
77P97.3Very high97.9Very high18 Ų1848.2 Ų48.212%0.11728%0.282CS..  trans-54.9137.6178.2-27.436.3000112.4V79 R82 M85 V110 T198P77-V79 HydrophobicContact CB-CG1 4.46Å; P77-V79 PolarHBondContact O-N 3.42Å; P77-R82 WeakPolarHBondContact O-CB 3.44Å; P77-M85 HydrophobicContact CG-CE 4.46Å; P77-V110 HydrophobicContact CG-CG1 4.27Å; P77-T198 WeakPolarHBondContact CD-OG1 3.45Å; P77-T198 HydrophobicContact CG-CG2 4.01Å
78P97.3Very high97.7Very high110 Ų11046.6 Ų46.671%0.71427%0.272SS*.  trans-82.458.3-175.335.4-37.5000111.9
79V98.3Very high97.6Very high18 Ų1847.1 Ų47.111%0.10927%0.274CS..  trans-100.3155.8177-62.30000111.2P77 G81 R82 L169P77-V79 HydrophobicContact CB-CG1 4.46Å; P77-V79 PolarHBondContact O-N 3.42Å; V79-G81 PolarHBondContact O-N 3.26Å; V79-R82 HydrophobicContact CG2-CB 4.28Å; V79-R82 VanDerWaalsContact O-CB 3.26Å; V79-R82 WeakPolarHBondContact O-CB 3.37Å; V79-R82 WeakPolarHBondContact O-CG 3.45Å; V79-R82 PolarHBondContact O-N 2.93Å; V79-L169 WeakPolarHBondContact CG1-O 3.39Å; V79-L169 HydrophobicContact CG2-CD2 3.77Å; V79-L169 HydrophobicContact CG2-CG 4.14Å
80P98.7Very high97.5Very high98 Ų9844.9 Ų44.964%0.63626%0.255SS*.THydrogen-bonded Turntrans-53.1137.7166-24.935.2000111.3R82 Q170 G171 L172P80-R82 VanDerWaalsContact C-N 3.31Å; P80-R82 PolarHBondContact O-N 3.16Å; P80-Q170 WeakPolarHBondContact CD-O 3.23Å; P80-G171 CarbonylContact O-C 3.55Å; P80-G171 VanDerWaalsContact O-CA 3.3Å; P80-G171 WeakPolarHBondContact O-CA 3.26Å; P80-L172 PolarHBondContact O-N 2.65Å
81G98.6Very high97.4Very high11 Ų1142.9 Ų42.911%0.11324%0.241CC..THydrogen-bonded Turntrans796.7-177.900000115.3V79 E83 L84 L172V79-G81 PolarHBondContact O-N 3.26Å; G81-E83 WeakPolarHBondContact CA-OE1 3.2Å; G81-E83 WeakPolarHBondContact CA-OE2 3.34Å; G81-E83 PolarHBondContact O-N 3.39Å; G81-L84 VanDerWaalsContact O-CB 3.29Å; G81-L84 WeakPolarHBondContact O-CB 3.23Å; G81-L84 WeakPolarHBondContact O-CG 3.42Å; G81-L84 PolarHBondContact O-N 3.28Å; G81-L172 WeakPolarHBondContact CA-O 3.25Å
82R98.4Very high97.3Very high134 Ų13448.7 Ų48.751%0.50626%0.264SS..G310 helixtrans-56-24-178.467-178.9-172.4101.44.1114.4V76 P77 V79 P80 L84 M85V76-R82 HydrophobicContact CG1-CB 3.96Å; P77-R82 WeakPolarHBondContact O-CB 3.44Å; V79-R82 HydrophobicContact CG2-CB 4.28Å; V79-R82 VanDerWaalsContact O-CB 3.26Å; V79-R82 WeakPolarHBondContact O-CB 3.37Å; V79-R82 WeakPolarHBondContact O-CG 3.45Å; V79-R82 PolarHBondContact O-N 2.93Å; P80-R82 VanDerWaalsContact C-N 3.31Å; P80-R82 PolarHBondContact O-N 3.16Å; R82-L84 PolarHBondContact O-N 3.01Å; R82-M85 VanDerWaalsContact O-CB 3.27Å; R82-M85 WeakPolarHBondContact O-CB 3.28Å; R82-M85 WeakPolarHBondContact O-CG 3.32Å; R82-M85 PolarHBondContact O-N 2.7Å
83E97.9Very high97.2Very high145 Ų14550.6 Ų50.668%0.67827%0.27SS*.G310 helixtrans-65-17174.869.2-73.3170.900113.6G81 M85G81-E83 WeakPolarHBondContact CA-OE1 3.2Å; G81-E83 WeakPolarHBondContact CA-OE2 3.34Å; G81-E83 PolarHBondContact O-N 3.39Å; E83-M85 VanDerWaalsContact C-N 3.25Å
84L98.4Very high97.2Very high42 Ų4248.7 Ų48.722%0.2226%0.257CS..G310 helixtrans-78.9-9.4171.8-58.9174.1000112.6G81 R82 L172 K174 I179G81-L84 VanDerWaalsContact O-CB 3.29Å; G81-L84 WeakPolarHBondContact O-CB 3.23Å; G81-L84 WeakPolarHBondContact O-CG 3.42Å; G81-L84 PolarHBondContact O-N 3.28Å; R82-L84 PolarHBondContact O-N 3.01Å; L84-L172 HydrophobicContact CB-CD1 4.32Å; L84-L172 HydrophobicContact CD1-CB 4.06Å; L84-K174 HydrophobicContact CD1-CB 4.33Å; L84-K174 HydrophobicContact CD2-CD 4.5Å; L84-I179 HydrophobicContact CB-CD1 4.31Å; L84-I179 HydrophobicContact CD1-CG2 4.17Å
85M98.6Very high97.2Very high15 Ų1552.2 Ų52.27%0.07427%0.266CS..EExtended strand (participates in β ladder)trans-81138179-58.5-175.179.100111.3V76 P77 R82 E83 V110 L169 L172 V194 A196V76-M85 HydrophobicContact CG1-CB 4.12Å; V76-M85 HydrophobicContact CG1-CG 4.34Å; V76-M85 HydrophobicContact CG1-SD 3.64Å; P77-M85 HydrophobicContact CG-CE 4.46Å; R82-M85 VanDerWaalsContact O-CB 3.27Å; R82-M85 WeakPolarHBondContact O-CB 3.28Å; R82-M85 WeakPolarHBondContact O-CG 3.32Å; R82-M85 PolarHBondContact O-N 2.7Å; E83-M85 VanDerWaalsContact C-N 3.25Å; M85-V110 HydrophobicContact CE-CB 3.87Å; M85-V110 HydrophobicContact CE-CG1 4.39Å; M85-V110 HydrophobicContact CE-CG2 3.67Å; M85-L169 HydrophobicContact CE-CD2 4.12Å; M85-L169 HydrophobicContact SD-CD2 4.09Å; M85-L172 HydrophobicContact CG-CD1 3.31Å; M85-L172 HydrophobicContact SD-CD1 4.1Å; M85-V194 WeakPolarHBondContact CA-O 3.29Å; M85-V194 HydrophobicContact CE-CG1 3.82Å; M85-V194 HydrophobicContact CG-CB 4.48Å; M85-V194 HydrophobicContact CG-CG1 4.05Å; M85-A196 HydrophobicContact CB-CB 4.46Å; M85-A196 HydrophobicContact CE-CB 3.63Å; M85-A196 HydrophobicContact SD-CB 4.43Å
86L98.5Very high97.2Very high22 Ų2253.4 Ų53.412%0.11529%0.288CS..EExtended strand (participates in β ladder)trans-93.5150172.3-54.2178000110C97 Q100 L101 A193 V194 I195 A196L86-C97 HydrophobicContact CD1-CB 3.95Å; L86-C97 HydrophobicContact CD2-CB 3.73Å; L86-C97 HydrophobicContact CG-CB 4.27Å; L86-Q100 HydrophobicContact CD1-CG 4.18Å; L86-L101 HydrophobicContact CD1-CD2 3.41Å; L86-L101 VanDerWaalsContact CD1-CD2 3.41Å; L86-L101 HydrophobicContact CD1-CG 3.88Å; L86-A193 HydrophobicContact CD1-CB 4.19Å; L86-V194 PolarHBondContact N-O 3.36Å; L86-I195 CarbonylContact O-C 3.57Å; L86-I195 WeakPolarHBondContact O-CA 3.35Å; L86-A196 PolarHBondContact O-N 2.8Å
87T97.5Very high97.2Very high31 Ų3152.3 Ų52.319%0.1928%0.282CS..  trans-124.8151.4172.460.90000109.6A74 V76 E93 A196A74-T87 HydrophobicContact CB-CG2 3.62Å; V76-T87 HydrophobicContact CG2-CG2 3.65Å; T87-E93 VanDerWaalsContact CB-OE2 3.25Å; T87-E93 WeakPolarHBondContact CB-OE2 3.49Å; T87-E93 PolarHBondContact OG1-OE2 2.74Å; T87-A196 HydrophobicContact CG2-CB 4.11Å
88L95.8Very high97.2Very high21 Ų2152.4 Ų52.411%0.1128%0.281CS..  trans-131.359.5-177.9-71.5176.8000110.3I9 Y94 L101 L119 I195I9-L88 HydrophobicContact CG2-CB 3.99Å; I9-L88 HydrophobicContact CG2-CD2 4.36Å; L88-Y94 HydrophobicContact CD2-CD2 3.68Å; L88-Y94 HydrophobicContact CD2-CG 4.16Å; L88-L101 HydrophobicContact CD1-CD1 3.92Å; L88-L101 HydrophobicContact CD2-CD1 3.76Å; L88-L101 HydrophobicContact CG-CD1 4.21Å; L88-L119 HydrophobicContact CD1-CD1 4.22Å; L88-L119 HydrophobicContact CD1-CD2 3.7Å; L88-I195 HydrophobicContact CD1-CD1 4.33Å; L88-I195 HydrophobicContact CD1-CG2 4.45Å
89N95.8Very high97.2Very high19 Ų1951.8 Ų51.810%0.10228%0.275CS..SBendtrans-107.2-7.3-178.2-179.963.4000113.6K6 A72 A74 E93 L200K6-N89 WeakPolarHBondContact CE-O 3.36Å; K6-N89 VanDerWaalsContact CE-OD1 3.24Å; K6-N89 WeakPolarHBondContact CE-OD1 3.38Å; K6-N89 PolarHBondContact NZ-O 3.11Å; K6-N89 PolarHBondContact NZ-OD1 2.92Å; A72-N89 PolarHBondContact O-ND2 3.1Å; A74-N89 HydrophobicContact CB-CB 4.2Å; N89-E93 WeakPolarHBondContact CB-OE2 3.07Å; N89-E93 PolarHBondContact N-OE2 3.45Å; N89-L200 VanDerWaalsContact OD1-CD2 3.23Å; N89-L200 WeakPolarHBondContact OD1-CD2 3Å
90S95.7Very high97.1Very high19 Ų1954.6 Ų54.613%0.13329%0.287CS..SBendtrans-148.8160.4174.166.50000111.9Y4 I9 Q92 E93 Y94Y4-S90 WeakPolarHBondContact OH-CA 3.48Å; I9-S90 VanDerWaalsContact CD1-C 3.44Å; S90-Q92 PolarHBondContact O-N 3.21Å; S90-E93 PolarHBondContact O-N 2.97Å; S90-E93 WeakPolarHBondContact OG-CG 3.38Å; S90-E93 PolarHBondContact OG-N 2.85Å; S90-E93 VanDerWaalsContact OG-N 3.11Å; S90-E93 PolarHBondContact OG-OE1 3.02Å; S90-Y94 PolarHBondContact O-N 2.92Å
91Q95.9Very high97.1Very high12 Ų1250 Ų506%0.05626%0.257CS..Hα-helixtrans-56.9-34.6173.2-176.9-167.756.700111.4Y4 A19 L22 T23 Y94 R95Y4-Q91 HydrophobicContact CD1-CB 3.91Å; Y4-Q91 HydrophobicContact CD2-CB 4.03Å; Y4-Q91 HydrophobicContact CE1-CB 3.72Å; Y4-Q91 HydrophobicContact CE2-CB 3.83Å; Y4-Q91 HydrophobicContact CG-CB 4.08Å; Y4-Q91 PolarHBondContact OH-N 2.75Å; A19-Q91 HydrophobicContact CB-CG 4.16Å; A19-Q91 WeakPolarHBondContact O-CG 3.44Å; A19-Q91 PolarHBondContact O-NE2 3.36Å; L22-Q91 HydrophobicContact CD1-CG 4.47Å; T23-Q91 PolarHBondContact OG1-NE2 3.15Å; Q91-Y94 PolarHBondContact O-N 3.32Å; Q91-R95 WeakPolarHBondContact O-CB 3.22Å; Q91-R95 PolarHBondContact O-N 2.92Å
92Q94.5Very high97Very high142 Ų14254 Ų5466%0.66427%0.269SS*.Hα-helixtrans-73.4-38.2-180-171.3155.52.200112.7S90 Y94 R95 A96S90-Q92 PolarHBondContact O-N 3.21Å; Q92-Y94 VanDerWaalsContact C-N 3.34Å; Q92-R95 PolarHBondContact O-N 2.79Å; Q92-A96 WeakPolarHBondContact O-CB 3.5Å; Q92-A96 PolarHBondContact O-N 2.91Å
93E95.6Very high96.9Very high50 Ų5053.3 Ų53.323%0.23428%0.275CS..Hα-helixtrans-61.1-45169.8-75.8170-133.300111T87 N89 S90 A96 C97T87-E93 VanDerWaalsContact CB-OE2 3.25Å; T87-E93 WeakPolarHBondContact CB-OE2 3.49Å; T87-E93 PolarHBondContact OG1-OE2 2.74Å; N89-E93 WeakPolarHBondContact CB-OE2 3.07Å; N89-E93 PolarHBondContact N-OE2 3.45Å; S90-E93 PolarHBondContact O-N 2.97Å; S90-E93 WeakPolarHBondContact OG-CG 3.38Å; S90-E93 PolarHBondContact OG-N 2.85Å; S90-E93 VanDerWaalsContact OG-N 3.11Å; S90-E93 PolarHBondContact OG-OE1 3.02Å; E93-A96 PolarHBondContact O-N 2.99Å; E93-C97 PolarHBondContact O-N 3.27Å; E93-C97 PolarHBondContact O-SG 3.27Å
94Y97.3Very high97Very high0 Ų046.6 Ų46.60%024%0.244CC..Hα-helixtrans-60.1-49.1175.7177.2-133.3000111.6V12 I13 Q17 A19 L22 L88 S90 Q91 Q92 A96 C97 E98 L101V12-Y94 HydrophobicContact CB-CD1 4.5Å; V12-Y94 HydrophobicContact CB-CE1 3.72Å; V12-Y94 HydrophobicContact CB-CE2 4.47Å; V12-Y94 HydrophobicContact CG1-CD1 4.3Å; V12-Y94 HydrophobicContact CG1-CE1 3.89Å; V12-Y94 HydrophobicContact CG2-CD1 4.21Å; V12-Y94 HydrophobicContact CG2-CD2 4.13Å; V12-Y94 HydrophobicContact CG2-CE1 3.65Å; V12-Y94 HydrophobicContact CG2-CE2 3.57Å; V12-Y94 HydrophobicContact CG2-CG 4.44Å; V12-Y94 WeakPolarHBondContact CG2-OH 3.45Å; I13-Y94 HydrophobicContact CD1-CE2 4.02Å; Q17-Y94 PolarHBondContact O-OH 2.84Å; A19-Y94 HydrophobicContact CB-CD1 3.9Å; A19-Y94 HydrophobicContact CB-CE1 4.32Å; L22-Y94 HydrophobicContact CD1-CD1 4.26Å; L88-Y94 HydrophobicContact CD2-CD2 3.68Å; L88-Y94 HydrophobicContact CD2-CG 4.16Å; S90-Y94 PolarHBondContact O-N 2.92Å; Q91-Y94 PolarHBondContact O-N 3.32Å; Q92-Y94 VanDerWaalsContact C-N 3.34Å; Y94-A96 PolarHBondContact O-N 2.9Å; Y94-C97 CarbonylContact O-C 3.5Å; Y94-C97 PolarHBondContact O-N 2.88Å; Y94-E98 HydrophobicContact CE2-CB 4.3Å; Y94-E98 HydrophobicContact CE2-CG 4.17Å; Y94-E98 WeakPolarHBondContact O-CA 3.43Å; Y94-E98 WeakPolarHBondContact O-CB 3.47Å; Y94-E98 PolarHBondContact O-N 3.17Å; Y94-L101 HydrophobicContact CD2-CD1 4.19Å; Y94-L101 HydrophobicContact CE2-CD1 4.27Å
95R96.9Very high97Very high92 Ų9254 Ų5435%0.34727%0.27SS..Hα-helixtrans-53.6-41.8176.4-171.7-178.9-60-79.32.4112.6A19 D20 Q91 Q92 C97A19-R95 HydrophobicContact CB-CB 3.57Å; A19-R95 HydrophobicContact CB-CG 4.02Å; D20-R95 IonicContact OD1-CZ 3.75Å; D20-R95 IonicContact OD1-NH1 2.98Å; D20-R95 PolarHBondContact OD1-NH1 2.99Å; D20-R95 IonicContact OD1-NH2 3.33Å; D20-R95 PolarHBondContact OD1-NH2 2.91Å; D20-R95 IonicContact OD2-NH1 2.67Å; D20-R95 PolarHBondContact OD2-NH1 3.45Å; Q91-R95 WeakPolarHBondContact O-CB 3.22Å; Q91-R95 PolarHBondContact O-N 2.92Å; Q92-R95 PolarHBondContact O-N 2.79Å; R95-C97 VanDerWaalsContact C-N 3.27Å; R95-C97 PolarHBondContact O-N 3.3Å
96A97Very high97Very high90 Ų9057 Ų5774%0.74428%0.28SS*.Hα-helixtrans-67.1-27-178.400000113.3Q92 E93 Y94Q92-A96 WeakPolarHBondContact O-CB 3.5Å; Q92-A96 PolarHBondContact O-N 2.91Å; E93-A96 PolarHBondContact O-N 2.99Å; Y94-A96 PolarHBondContact O-N 2.9Å
97C97.1Very high97Very high9 Ų955.9 Ų55.96%0.06127%0.274CS..Hα-helixtrans-116.58.8-178.866.10000114.4L86 E93 Y94 R95 T99 Q100 L101L86-C97 HydrophobicContact CD1-CB 3.95Å; L86-C97 HydrophobicContact CD2-CB 3.73Å; L86-C97 HydrophobicContact CG-CB 4.27Å; E93-C97 PolarHBondContact O-N 3.27Å; E93-C97 PolarHBondContact O-SG 3.27Å; Y94-C97 CarbonylContact O-C 3.5Å; Y94-C97 PolarHBondContact O-N 2.88Å; R95-C97 VanDerWaalsContact C-N 3.27Å; R95-C97 PolarHBondContact O-N 3.3Å; C97-T99 PolarHBondContact O-N 2.87Å; C97-Q100 PolarHBondContact O-N 3.05Å; C97-Q100 VanDerWaalsContact O-N 3.16Å; C97-L101 WeakPolarHBondContact O-CG 3.46Å; C97-L101 PolarHBondContact O-N 3.42Å; C97-L101 VanDerWaalsContact SG-CD1 3.54Å
98E97.1Very high97.1Very high20 Ų2054.4 Ų54.49%0.09327%0.265CS..Hα-helixtrans-54.6-53.7-172.1-176.3-178.9142.600111.7R18 A19 Y94 Q100 L101 R102R18-E98 WeakPolarHBondContact CB-OE1 3.12Å; R18-E98 VanDerWaalsContact CG-OE1 3.26Å; R18-E98 WeakPolarHBondContact CG-OE1 3.37Å; A19-E98 PolarHBondContact N-OE2 2.89Å; Y94-E98 HydrophobicContact CE2-CB 4.3Å; Y94-E98 HydrophobicContact CE2-CG 4.17Å; Y94-E98 WeakPolarHBondContact O-CA 3.43Å; Y94-E98 WeakPolarHBondContact O-CB 3.47Å; Y94-E98 PolarHBondContact O-N 3.17Å; E98-Q100 VanDerWaalsContact C-N 3.35Å; E98-Q100 PolarHBondContact O-N 3.49Å; E98-L101 PolarHBondContact O-N 2.87Å; E98-R102 HydrophobicContact CG-CG 4.43Å; E98-R102 WeakPolarHBondContact O-CB 3.43Å; E98-R102 VanDerWaalsContact O-CG 3.27Å; E98-R102 WeakPolarHBondContact O-CG 3.18Å; E98-R102 PolarHBondContact O-N 3.44Å
99T96.8Very high97.2Very high97 Ų9753.4 Ų53.460%0.59526%0.26SS*.Hα-helixtrans-58.9-46.1179.7-54.90000111.5C97 L101 R102 D103C97-T99 PolarHBondContact O-N 2.87Å; T99-L101 VanDerWaalsContact C-N 3.34Å; T99-L101 PolarHBondContact O-N 3.4Å; T99-R102 PolarHBondContact O-N 3.05Å; T99-D103 WeakPolarHBondContact CG2-OD2 3.49Å; T99-D103 WeakPolarHBondContact O-CB 3.33Å; T99-D103 VanDerWaalsContact O-CG 3.31Å; T99-D103 PolarHBondContact O-N 2.87Å
100Q97.3Very high97.4Very high78 Ų7853 Ų5336%0.36426%0.258SS..Hα-helixtrans-61.3-42.6-179.8-173.8177.5-5.900111.8L86 C97 E98 A104L86-Q100 HydrophobicContact CD1-CG 4.18Å; C97-Q100 PolarHBondContact O-N 3.05Å; C97-Q100 VanDerWaalsContact O-N 3.16Å; E98-Q100 VanDerWaalsContact C-N 3.35Å; E98-Q100 PolarHBondContact O-N 3.49Å; Q100-A104 WeakPolarHBondContact O-CB 3.31Å; Q100-A104 PolarHBondContact O-N 2.85Å
101L98Very high97.5Very high0 Ų052.1 Ų52.10%025%0.252CS..Hα-helixtrans-70.1-36.7178.3-68.1179.2000112.7I13 L86 L88 Y94 C97 E98 T99 F123 K128 A193 I195I13-L101 HydrophobicContact CD1-CB 4.02Å; L86-L101 HydrophobicContact CD1-CD2 3.41Å; L86-L101 VanDerWaalsContact CD1-CD2 3.41Å; L86-L101 HydrophobicContact CD1-CG 3.88Å; L88-L101 HydrophobicContact CD1-CD1 3.92Å; L88-L101 HydrophobicContact CD2-CD1 3.76Å; L88-L101 HydrophobicContact CG-CD1 4.21Å; Y94-L101 HydrophobicContact CD2-CD1 4.19Å; Y94-L101 HydrophobicContact CE2-CD1 4.27Å; C97-L101 WeakPolarHBondContact O-CG 3.46Å; C97-L101 PolarHBondContact O-N 3.42Å; C97-L101 VanDerWaalsContact SG-CD1 3.54Å; E98-L101 PolarHBondContact O-N 2.87Å; T99-L101 VanDerWaalsContact C-N 3.34Å; T99-L101 PolarHBondContact O-N 3.4Å; L101-F123 HydrophobicContact CB-CE1 4.35Å; L101-F123 HydrophobicContact CB-CZ 4.21Å; L101-F123 HydrophobicContact CD1-CZ 4.24Å; L101-F123 HydrophobicContact CD2-CE1 4.01Å; L101-F123 HydrophobicContact CD2-CZ 3.82Å; L101-F123 HydrophobicContact CG-CZ 4.32Å; L101-K128 VanDerWaalsContact O-CE 3.22Å; L101-K128 WeakPolarHBondContact O-CE 3.45Å; L101-K128 PolarHBondContact O-NZ 2.98Å; L101-K128 VanDerWaalsContact O-NZ 3.15Å; L101-A193 HydrophobicContact CD2-CB 4.21Å; L101-I195 HydrophobicContact CD2-CD1 3.8Å; L101-I195 HydrophobicContact CD2-CG1 4.02Å
102R96.9Very high97.6Very high97 Ų9751.6 Ų51.637%0.36625%0.25SS..Hα-helixtrans-68.5-42177.1-71.718073.1102.14.2111.7G16 E98 T99 K128G16-R102 PolarHBondContact O-NH1 3.38Å; E98-R102 HydrophobicContact CG-CG 4.43Å; E98-R102 WeakPolarHBondContact O-CB 3.43Å; E98-R102 VanDerWaalsContact O-CG 3.27Å; E98-R102 WeakPolarHBondContact O-CG 3.18Å; E98-R102 PolarHBondContact O-N 3.44Å; T99-R102 PolarHBondContact O-N 3.05Å; R102-K128 PolarHBondContact O-NZ 3.27Å
103D97.4Very high97.8Very high118 Ų11845.8 Ų45.863%0.63123%0.228SC*.Hα-helixtrans-78.1-28.3-178.1-67.6-14.3000113T99 R105T99-D103 WeakPolarHBondContact CG2-OD2 3.49Å; T99-D103 WeakPolarHBondContact O-CB 3.33Å; T99-D103 VanDerWaalsContact O-CG 3.31Å; T99-D103 PolarHBondContact O-N 2.87Å; D103-R105 PolarHBondContact O-N 3.14Å
104A98.5Very high97.9Very high4 Ų444.8 Ų44.83%0.03322%0.224CC..  trans-58.2128.6178.800000112.1Q100 V107 K128 D192 A193Q100-A104 WeakPolarHBondContact O-CB 3.31Å; Q100-A104 PolarHBondContact O-N 2.85Å; A104-V107 HydrophobicContact CB-CG2 3.88Å; A104-K128 WeakPolarHBondContact O-CD 3.17Å; A104-K128 PolarHBondContact O-NZ 2.87Å; A104-D192 HydrophobicContact CB-CB 3.81Å; A104-A193 HydrophobicContact CB-CB 3.78Å
105R98.7Very high97.9Very high199 Ų19948.4 Ų48.475%0.75124%0.243SC*.SBendtrans-98.7-33.6175.2-61.4-178.9-178.1179.90.3111.6D103 A129 D192D103-R105 PolarHBondContact O-N 3.14Å; R105-A129 PolarHBondContact O-N 3.21Å; R105-D192 WeakPolarHBondContact CA-OD2 3.46Å; R105-D192 WeakPolarHBondContact CB-OD2 3.25Å; R105-D192 PolarHBondContact N-OD2 3.39Å
106R98.8Very high97.9Very high76 Ų7644 Ų4429%0.28723%0.226SC..EExtended strand (participates in β ladder)trans-109.9121.4176.1-56.9174.9-63.6174.1-0.1108.8A129 S177 E190 V191 D192 A193R106-A129 CarbonylContact C-O 3.56Å; R106-A129 WeakPolarHBondContact CA-O 3.45Å; R106-S177 PolarHBondContact NH2-O 3.24Å; R106-E190 IonicContact CZ-OE2 3.57Å; R106-E190 PolarHBondContact NH1-O 3.24Å; R106-E190 IonicContact NH1-OE2 2.7Å; R106-E190 PolarHBondContact NH1-OE2 2.84Å; R106-E190 VanDerWaalsContact NH1-OE2 3.1Å; R106-E190 IonicContact NH2-OE2 2.74Å; R106-V191 HydrophobicContact CB-CB 4.14Å; R106-V191 HydrophobicContact CB-CG1 4.22Å; R106-D192 IonicContact CZ-OD1 3.98Å; R106-D192 PolarHBondContact N-OD2 3.13Å; R106-D192 IonicContact NE-OD1 3.09Å; R106-D192 PolarHBondContact NE-OD1 2.8Å; R106-D192 IonicContact NE-OD2 3.57Å; R106-D192 IonicContact NH2-OD1 2.65Å; R106-D192 PolarHBondContact NH2-OD1 2.72Å; R106-D192 PolarHBondContact O-N 3.22Å; R106-A193 PolarHBondContact O-N 2.83Å
107V98.9Very high98Very high0 Ų039.7 Ų39.70%019%0.191CC..EExtended strand (participates in β ladder)trans-126.4128.7-177.9-177.50000110.6A104 I109 F123 K128 A129 V130 T131 A193 I195A104-V107 HydrophobicContact CB-CG2 3.88Å; V107-I109 HydrophobicContact CG1-CG1 4.24Å; V107-F123 HydrophobicContact CB-CD1 4.01Å; V107-F123 HydrophobicContact CB-CE1 4.45Å; V107-F123 HydrophobicContact CG1-CD1 3.91Å; V107-F123 HydrophobicContact CG1-CE1 4.03Å; V107-F123 HydrophobicContact CG2-CD1 3.63Å; V107-F123 HydrophobicContact CG2-CE1 3.89Å; V107-K128 HydrophobicContact CG2-CD 4.32Å; V107-A129 PolarHBondContact N-O 2.81Å; V107-V130 WeakPolarHBondContact O-CA 3.39Å; V107-T131 PolarHBondContact O-N 2.62Å; V107-A193 WeakPolarHBondContact CA-O 3.33Å; V107-A193 HydrophobicContact CG2-CB 4.41Å; V107-I195 HydrophobicContact CG1-CD1 3.85Å; V107-I195 HydrophobicContact CG1-CG1 4.21Å
108L98.9Very high98.1Very high0 Ų039.3 Ų39.30%019%0.188CC..EExtended strand (participates in β ladder)trans-98.3123169.8179.262.3000109.5V110 T131 I133 A181 V191 A193 V194 I195L108-V110 HydrophobicContact CD2-CG2 4.32Å; L108-V110 HydrophobicContact CG-CG2 4.14Å; L108-T131 CarbonylContact C-O 3.58Å; L108-T131 WeakPolarHBondContact CA-O 3.48Å; L108-T131 HydrophobicContact CD1-CG2 3.99Å; L108-I133 HydrophobicContact CD1-CD1 4.42Å; L108-I133 HydrophobicContact CD1-CG1 4.36Å; L108-I133 HydrophobicContact CD1-CG2 3.69Å; L108-A181 HydrophobicContact CD2-CB 3.4Å; L108-V191 HydrophobicContact CB-CB 4.35Å; L108-V191 HydrophobicContact CB-CG1 3.95Å; L108-V191 HydrophobicContact CB-CG2 3.83Å; L108-A193 PolarHBondContact N-O 3.19Å; L108-V194 HydrophobicContact CB-CG1 4.3Å; L108-V194 HydrophobicContact CB-CG2 4.22Å; L108-V194 HydrophobicContact CD2-CG1 4.02Å; L108-V194 HydrophobicContact CD2-CG2 4.25Å; L108-V194 HydrophobicContact CG-CG1 4.22Å; L108-V194 CarbonylContact O-C 3.31Å; L108-V194 VanDerWaalsContact O-CA 3.31Å; L108-V194 WeakPolarHBondContact O-CA 3.4Å; L108-I195 PolarHBondContact O-N 2.93Å
109I98.9Very high98.2Very high0 Ų038.4 Ų38.40%018%0.184CC..EExtended strand (participates in β ladder)trans-105.9124.9171.6-62.9170000108.1V107 L119 A120 V130 T131 L132 I133 I195 A197V107-I109 HydrophobicContact CG1-CG1 4.24Å; I109-L119 HydrophobicContact CD1-CB 3.8Å; I109-A120 VanDerWaalsContact CD1-CA 3.41Å; I109-A120 HydrophobicContact CD1-CB 3.87Å; I109-A120 VanDerWaalsContact CD1-N 3.3Å; I109-V130 HydrophobicContact CD1-CG1 3.86Å; I109-V130 HydrophobicContact CG1-CG1 4.45Å; I109-T131 PolarHBondContact N-O 2.99Å; I109-L132 HydrophobicContact CB-CB 4.47Å; I109-L132 HydrophobicContact CB-CD1 4.46Å; I109-L132 HydrophobicContact CB-CG 4.43Å; I109-L132 HydrophobicContact CG2-CD1 4.11Å; I109-L132 HydrophobicContact CG2-CG 4.38Å; I109-L132 WeakPolarHBondContact O-CA 3.33Å; I109-I133 PolarHBondContact O-N 2.83Å; I109-I195 HydrophobicContact CG1-CD1 4.45Å; I109-A197 HydrophobicContact CG2-CB 4.14Å
110V98.8Very high98.3Very high9 Ų933.8 Ų33.86%0.05516%0.156CC..EExtended strand (participates in β ladder)trans-104.3111179.1-172.10000108.2P77 M85 L108 I133 L169 V194 I195 A197 T198P77-V110 HydrophobicContact CG-CG1 4.27Å; M85-V110 HydrophobicContact CE-CB 3.87Å; M85-V110 HydrophobicContact CE-CG1 4.39Å; M85-V110 HydrophobicContact CE-CG2 3.67Å; L108-V110 HydrophobicContact CD2-CG2 4.32Å; L108-V110 HydrophobicContact CG-CG2 4.14Å; V110-I133 HydrophobicContact CB-CD1 4.47Å; V110-I133 HydrophobicContact CB-CG1 4.24Å; V110-I133 HydrophobicContact CG1-CD1 4.07Å; V110-I133 HydrophobicContact CG1-CG1 4.03Å; V110-I133 HydrophobicContact CG2-CD1 3.98Å; V110-I133 HydrophobicContact CG2-CG1 4.09Å; V110-L169 HydrophobicContact CG1-CB 4.48Å; V110-L169 HydrophobicContact CG2-CD2 4.22Å; V110-V194 HydrophobicContact CG2-CG1 3.89Å; V110-I195 PolarHBondContact N-O 2.63Å; V110-A197 CarbonylContact O-C 3.54Å; V110-A197 VanDerWaalsContact O-C 3.31Å; V110-A197 WeakPolarHBondContact O-CA 3.49Å; V110-A197 PolarHBondContact O-N 3.44Å; V110-T198 HydrophobicContact CG1-CG2 3.9Å; V110-T198 WeakPolarHBondContact O-CG2 3.19Å; V110-T198 PolarHBondContact O-N 3.4Å
111G98.6Very high98.4Very high2 Ų230.1 Ų30.12%0.02114%0.138CC..  trans111.2120-172.800000111.6G116 I133 D134G111-G116 VanDerWaalsContact O-CA 3.29Å; G111-G116 WeakPolarHBondContact O-CA 3.35Å; G111-I133 PolarHBondContact N-O 3.29Å; G111-D134 WeakPolarHBondContact CA-OD2 3.44Å
112G98.1Very high98.4Very high1 Ų130.2 Ų30.21%0.0114%0.139CC..  trans-98.222.4174.700000113.6S117 D134 I139 L140G112-S117 PolarHBondContact O-OG 3.08Å; G112-D134 WeakPolarHBondContact CA-OD2 3.39Å; G112-D134 PolarHBondContact N-OD2 2.91Å; G112-I139 WeakPolarHBondContact O-CA 3.45Å; G112-L140 PolarHBondContact O-N 2.97Å
113G97.8Very high98.5Very high19 Ų1925.6 Ų25.620%0.19612%0.121CC..SBendtrans-70.6-167.2171.400000112.7I115 G116 S117G113-I115 PolarHBondContact O-N 3.39Å; G113-G116 PolarHBondContact O-N 3.25Å; G113-S117 WeakPolarHBondContact O-CB 3.46Å; G113-S117 PolarHBondContact O-N 2.99Å; G113-S117 PolarHBondContact O-OG 3.1Å
114L97.1Very high98.5Very high30 Ų3021 Ų2116%0.15710%0.098CC..Hα-helixtrans-53.6-58-179.5-176.6156.1000111.6G116 S117 E118 L140 L143 V276 I278L114-G116 VanDerWaalsContact C-N 3.35Å; L114-G116 PolarHBondContact O-N 2.9Å; L114-S117 PolarHBondContact O-N 3.1Å; L114-E118 HydrophobicContact CD2-CG 4.43Å; L114-E118 WeakPolarHBondContact CD2-OE1 3.47Å; L114-E118 WeakPolarHBondContact O-CG 3.48Å; L114-E118 PolarHBondContact O-N 2.99Å; L114-E118 VanDerWaalsContact O-N 3.07Å; L114-L140 HydrophobicContact CB-CD2 4.38Å; L114-L143 HydrophobicContact CB-CD1 3.88Å; L114-L143 HydrophobicContact CD1-CD1 3.99Å; L114-L143 HydrophobicContact CG-CD1 4.46Å; L114-V276 HydrophobicContact CD1-CG1 3.61Å; L114-I278 HydrophobicContact CD1-CG1 4.05Å; L114-I278 HydrophobicContact CG-CG1 4.19Å
115I97.7Very high98.5Very high75 Ų7526 Ų2639%0.38512%0.116SC..Hα-helixtrans-63.2-42.4-177.9-60.9-62.3000111.2G113 S117 E118 L119 A197G113-I115 PolarHBondContact O-N 3.39Å; I115-S117 VanDerWaalsContact C-N 3.31Å; I115-S117 PolarHBondContact O-N 3.45Å; I115-E118 PolarHBondContact O-N 3.33Å; I115-L119 HydrophobicContact CG2-CD1 3.69Å; I115-L119 HydrophobicContact CG2-CG 4.08Å; I115-L119 WeakPolarHBondContact O-CB 3.31Å; I115-L119 VanDerWaalsContact O-CG 3.28Å; I115-L119 WeakPolarHBondContact O-CG 3.41Å; I115-L119 PolarHBondContact O-N 2.74Å; I115-A197 HydrophobicContact CG2-CB 4.4Å
116G98.6Very high98.5Very high0 Ų018.4 Ų18.40%010%0.096CC..Hα-helixtrans-60.9-39.6178.400000113.3G111 G113 L114 A120 L132G111-G116 VanDerWaalsContact O-CA 3.29Å; G111-G116 WeakPolarHBondContact O-CA 3.35Å; G113-G116 PolarHBondContact O-N 3.25Å; L114-G116 VanDerWaalsContact C-N 3.35Å; L114-G116 PolarHBondContact O-N 2.9Å; G116-A120 VanDerWaalsContact O-CB 3.28Å; G116-A120 WeakPolarHBondContact O-CB 3.27Å; G116-A120 PolarHBondContact O-N 3.24Å; G116-L132 WeakPolarHBondContact O-CD1 3.39Å
117S98.6Very high98.5Very high0 Ų018.2 Ų18.20%012%0.117CC..Hα-helixtrans-69-40.2177.3-57.40000112.1G112 G113 L114 I115 M121G112-S117 PolarHBondContact O-OG 3.08Å; G113-S117 WeakPolarHBondContact O-CB 3.46Å; G113-S117 PolarHBondContact O-N 2.99Å; G113-S117 PolarHBondContact O-OG 3.1Å; L114-S117 PolarHBondContact O-N 3.1Å; I115-S117 VanDerWaalsContact C-N 3.31Å; I115-S117 PolarHBondContact O-N 3.45Å; S117-M121 PolarHBondContact O-N 2.89Å
118E98.7Very high98.5Very high0 Ų019.5 Ų19.50%012%0.123CC..Hα-helixtrans-64.2-48.6174.8-67.6179.9173.100111.4S10 L114 I115 A120 M121 D122 I278 K279 T280S10-E118 WeakPolarHBondContact CB-OE2 3.39Å; S10-E118 PolarHBondContact OG-OE2 3.24Å; L114-E118 HydrophobicContact CD2-CG 4.43Å; L114-E118 WeakPolarHBondContact CD2-OE1 3.47Å; L114-E118 WeakPolarHBondContact O-CG 3.48Å; L114-E118 PolarHBondContact O-N 2.99Å; L114-E118 VanDerWaalsContact O-N 3.07Å; I115-E118 PolarHBondContact O-N 3.33Å; E118-A120 VanDerWaalsContact C-N 3.34Å; E118-A120 PolarHBondContact O-N 2.8Å; E118-M121 PolarHBondContact O-N 2.92Å; E118-D122 WeakPolarHBondContact O-CB 3.29Å; E118-D122 PolarHBondContact O-N 3.38Å; E118-I278 HydrophobicContact CG-CG2 4.31Å; E118-K279 HydrophobicContact CG-CB 4.38Å; E118-K279 WeakPolarHBondContact OE1-CB 3.28Å; E118-K279 WeakPolarHBondContact OE1-CE 3.37Å; E118-K279 PolarHBondContact OE1-N 3.06Å; E118-K279 IonicContact OE1-NZ 3.04Å; E118-K279 PolarHBondContact OE1-NZ 3.4Å; E118-K279 WeakPolarHBondContact OE2-CE 3.35Å; E118-K279 IonicContact OE2-NZ 2.98Å; E118-K279 PolarHBondContact OE2-NZ 3.34Å; E118-T280 HydrophobicContact CG-CG2 4.35Å
119L98.7Very high98.5Very high2 Ų222.5 Ų22.51%0.0115%0.148CC..Hα-helixtrans-62.2-40.2177.4-70.2174.3000111.7L88 I109 I115 M121 D122 F123 I195 A197L88-L119 HydrophobicContact CD1-CD1 4.22Å; L88-L119 HydrophobicContact CD1-CD2 3.7Å; I109-L119 HydrophobicContact CD1-CB 3.8Å; I115-L119 HydrophobicContact CG2-CD1 3.69Å; I115-L119 HydrophobicContact CG2-CG 4.08Å; I115-L119 WeakPolarHBondContact O-CB 3.31Å; I115-L119 VanDerWaalsContact O-CG 3.28Å; I115-L119 WeakPolarHBondContact O-CG 3.41Å; I115-L119 PolarHBondContact O-N 2.74Å; L119-M121 VanDerWaalsContact C-N 3.31Å; L119-M121 PolarHBondContact O-N 2.96Å; L119-D122 PolarHBondContact O-N 3.37Å; L119-F123 HydrophobicContact CD2-CE2 4.09Å; L119-F123 WeakPolarHBondContact O-CB 3.28Å; L119-F123 VanDerWaalsContact O-CD2 3.23Å; L119-F123 WeakPolarHBondContact O-CD2 3.36Å; L119-F123 PolarHBondContact O-N 2.97Å; L119-I195 HydrophobicContact CD1-CG2 4.01Å; L119-A197 HydrophobicContact CD1-CB 4.46Å
120A98.9Very high98.5Very high0 Ų022.7 Ų22.70%015%0.149CC..Hα-helixtrans-61.3-43178.100000111.7I109 G116 E118 C124 V130 L132 V161I109-A120 VanDerWaalsContact CD1-CA 3.41Å; I109-A120 HydrophobicContact CD1-CB 3.87Å; I109-A120 VanDerWaalsContact CD1-N 3.3Å; G116-A120 VanDerWaalsContact O-CB 3.28Å; G116-A120 WeakPolarHBondContact O-CB 3.27Å; G116-A120 PolarHBondContact O-N 3.24Å; E118-A120 VanDerWaalsContact C-N 3.34Å; E118-A120 PolarHBondContact O-N 2.8Å; A120-C124 WeakPolarHBondContact O-CB 3.34Å; A120-C124 PolarHBondContact O-N 3.14Å; A120-C124 VanDerWaalsContact O-N 3.12Å; A120-V130 HydrophobicContact CB-CG1 4.12Å; A120-L132 HydrophobicContact CB-CD1 3.81Å; A120-V161 HydrophobicContact CB-CG1 4.08Å; A120-V161 HydrophobicContact CB-CG2 4.45Å
121M98.8Very high98.5Very high1 Ų123 Ų231%0.00515%0.151CC..Hα-helixtrans-66.3-44.8174.9-171.4170.5-71.700111.8S117 E118 L119 C124 R125 L152 L156 M159 T280 P281 E282S117-M121 PolarHBondContact O-N 2.89Å; E118-M121 PolarHBondContact O-N 2.92Å; L119-M121 VanDerWaalsContact C-N 3.31Å; L119-M121 PolarHBondContact O-N 2.96Å; M121-C124 PolarHBondContact O-N 3Å; M121-R125 HydrophobicContact CG-CG 4.31Å; M121-R125 WeakPolarHBondContact O-CB 3.27Å; M121-R125 WeakPolarHBondContact O-CG 3.41Å; M121-R125 PolarHBondContact O-N 3.48Å; M121-L152 HydrophobicContact CE-CD1 3.94Å; M121-L156 HydrophobicContact CB-CD2 3.91Å; M121-L156 HydrophobicContact CE-CD2 3.87Å; M121-M159 HydrophobicContact CE-SD 3.89Å; M121-M159 HydrophobicContact CG-CE 3.73Å; M121-M159 HydrophobicContact CG-SD 4.14Å; M121-M159 HydrophobicContact SD-SD 4.49Å; M121-T280 HydrophobicContact CB-CG2 4.3Å; M121-T280 HydrophobicContact CE-CG2 3.89Å; M121-T280 WeakPolarHBondContact SD-CA 3.37Å; M121-T280 VanDerWaalsContact SD-CB 3.51Å; M121-T280 HydrophobicContact SD-CG2 3.98Å; M121-P281 VanDerWaalsContact SD-N 3.44Å; M121-E282 HydrophobicContact CE-CB 3.83Å; M121-E282 HydrophobicContact SD-CB 3.75Å; M121-E282 HydrophobicContact SD-CG 4.12Å; M121-E282 PolarHBondContact SD-N 2.79Å; M121-E282 VanDerWaalsContact SD-N 3.45Å
122D98.8Very high98.5Very high2 Ų223 Ų231%0.01115%0.15CC..Hα-helixtrans-60.8-50.8-178.9-172.851.4000112.1S10 H11 I13 S14 E118 L119 C124 R125 A126S10-D122 VanDerWaalsContact O-CB 3.23Å; S10-D122 WeakPolarHBondContact O-CB 3.38Å; H11-D122 VanDerWaalsContact CA-CG 3.5Å; H11-D122 WeakPolarHBondContact CA-OD1 3.39Å; I13-D122 VanDerWaalsContact CB-OD2 3.25Å; I13-D122 WeakPolarHBondContact CB-OD2 3.43Å; I13-D122 PolarHBondContact N-OD2 2.98Å; S14-D122 WeakPolarHBondContact CB-O 3.46Å; S14-D122 WeakPolarHBondContact CB-OD1 3.21Å; S14-D122 PolarHBondContact N-OD1 3.04Å; S14-D122 PolarHBondContact OG-OD1 2.98Å; E118-D122 WeakPolarHBondContact O-CB 3.29Å; E118-D122 PolarHBondContact O-N 3.38Å; L119-D122 PolarHBondContact O-N 3.37Å; D122-C124 VanDerWaalsContact C-N 3.33Å; D122-C124 PolarHBondContact O-N 2.82Å; D122-R125 PolarHBondContact O-N 3.06Å; D122-A126 PolarHBondContact O-N 3.17Å
123F98.8Very high98.5Very high0 Ų023 Ų230%015%0.15CC..Hα-helixtrans-64.8-38.4179.1-82.8-109.8000112I13 L101 V107 L119 A126 K128 V130 I195I13-F123 HydrophobicContact CB-CD2 4.43Å; I13-F123 HydrophobicContact CB-CE2 4.34Å; I13-F123 HydrophobicContact CD1-CZ 4.18Å; I13-F123 HydrophobicContact CG1-CD2 4.12Å; I13-F123 HydrophobicContact CG1-CE1 4.16Å; I13-F123 HydrophobicContact CG1-CE2 3.54Å; I13-F123 HydrophobicContact CG1-CZ 3.56Å; L101-F123 HydrophobicContact CB-CE1 4.35Å; L101-F123 HydrophobicContact CB-CZ 4.21Å; L101-F123 HydrophobicContact CD1-CZ 4.24Å; L101-F123 HydrophobicContact CD2-CE1 4.01Å; L101-F123 HydrophobicContact CD2-CZ 3.82Å; L101-F123 HydrophobicContact CG-CZ 4.32Å; V107-F123 HydrophobicContact CB-CD1 4.01Å; V107-F123 HydrophobicContact CB-CE1 4.45Å; V107-F123 HydrophobicContact CG1-CD1 3.91Å; V107-F123 HydrophobicContact CG1-CE1 4.03Å; V107-F123 HydrophobicContact CG2-CD1 3.63Å; V107-F123 HydrophobicContact CG2-CE1 3.89Å; L119-F123 HydrophobicContact CD2-CE2 4.09Å; L119-F123 WeakPolarHBondContact O-CB 3.28Å; L119-F123 VanDerWaalsContact O-CD2 3.23Å; L119-F123 WeakPolarHBondContact O-CD2 3.36Å; L119-F123 PolarHBondContact O-N 2.97Å; F123-A126 WeakPolarHBondContact O-CB 3.21Å; F123-A126 PolarHBondContact O-N 3.36Å; F123-K128 HydrophobicContact CB-CD 4.32Å; F123-K128 HydrophobicContact CD1-CD 3.41Å; F123-K128 VanDerWaalsContact CD1-CD 3.41Å; F123-K128 HydrophobicContact CE1-CD 4.06Å; F123-K128 HydrophobicContact CG-CD 4.22Å; F123-K128 VanDerWaalsContact O-CB 3.3Å; F123-K128 WeakPolarHBondContact O-CB 3.4Å; F123-K128 PolarHBondContact O-N 2.81Å; F123-K128 VanDerWaalsContact O-N 3.11Å; F123-V130 HydrophobicContact CB-CG2 3.57Å; F123-I195 HydrophobicContact CE1-CD1 4.02Å; F123-I195 HydrophobicContact CE2-CD1 3.82Å; F123-I195 HydrophobicContact CZ-CD1 3.47Å; F123-I195 VanDerWaalsContact CZ-CD1 3.47Å
124C98.7Very high98.6Very high20 Ų2023.8 Ų23.814%0.13515%0.15CC..Hα-helixtrans-65.3-43.9176.2-177.40000111.8A120 M121 D122 A126 G127 V130 M159 V161A120-C124 WeakPolarHBondContact O-CB 3.34Å; A120-C124 PolarHBondContact O-N 3.14Å; A120-C124 VanDerWaalsContact O-N 3.12Å; M121-C124 PolarHBondContact O-N 3Å; D122-C124 VanDerWaalsContact C-N 3.33Å; D122-C124 PolarHBondContact O-N 2.82Å; C124-A126 PolarHBondContact O-N 3.23Å; C124-G127 PolarHBondContact O-N 2.77Å; C124-V130 HydrophobicContact CB-CG2 4.12Å; C124-M159 HydrophobicContact CB-CE 4.44Å; C124-M159 PolarHBondContact SG-O 3.11Å; C124-V161 HydrophobicContact CB-CG2 3.84Å
125R98.5Very high98.5Very high110 Ų11027.4 Ų27.442%0.41517%0.169SC..Hα-helixtrans-60.4-30.4173.5-74171.265.581.55.7112.8M121 D122 G127 M159 E282M121-R125 HydrophobicContact CG-CG 4.31Å; M121-R125 WeakPolarHBondContact O-CB 3.27Å; M121-R125 WeakPolarHBondContact O-CG 3.41Å; M121-R125 PolarHBondContact O-N 3.48Å; D122-R125 PolarHBondContact O-N 3.06Å; R125-G127 PolarHBondContact O-N 3.17Å; R125-M159 HydrophobicContact CG-CE 3.81Å; R125-E282 IonicContact CZ-OE1 2.73Å; R125-E282 IonicContact NH1-OE1 3.92Å; R125-E282 PolarHBondContact NH1-OE1 2.91Å
126A98.2Very high98.5Very high39 Ų3925.1 Ų25.132%0.32216%0.161SC..THydrogen-bonded Turntrans-77.77.1173.700000113.9I13 D122 F123 C124I13-A126 HydrophobicContact CB-CB 4.47Å; I13-A126 HydrophobicContact CG2-CB 3.6Å; D122-A126 PolarHBondContact O-N 3.17Å; F123-A126 WeakPolarHBondContact O-CB 3.21Å; F123-A126 PolarHBondContact O-N 3.36Å; C124-A126 PolarHBondContact O-N 3.23Å
127G98.2Very high98.4Very high72 Ų7227.8 Ų27.874%0.74218%0.184SC*.THydrogen-bonded Turntrans79.417.7177.300000114.6C124 R125C124-G127 PolarHBondContact O-N 2.77Å; R125-G127 PolarHBondContact O-N 3.17Å
128K98.7Very high98.4Very high28 Ų2828 Ų2812%0.12219%0.185CC..  trans-91.1147.5179.4-55.9175.7-179.8-60.40110.7I13 L101 R102 A104 V107 F123 V130I13-K128 HydrophobicContact CG2-CD 4.19Å; I13-K128 VanDerWaalsContact CG2-CE 3.4Å; L101-K128 VanDerWaalsContact O-CE 3.22Å; L101-K128 WeakPolarHBondContact O-CE 3.45Å; L101-K128 PolarHBondContact O-NZ 2.98Å; L101-K128 VanDerWaalsContact O-NZ 3.15Å; R102-K128 PolarHBondContact O-NZ 3.27Å; A104-K128 WeakPolarHBondContact O-CD 3.17Å; A104-K128 PolarHBondContact O-NZ 2.87Å; V107-K128 HydrophobicContact CG2-CD 4.32Å; F123-K128 HydrophobicContact CB-CD 4.32Å; F123-K128 HydrophobicContact CD1-CD 3.41Å; F123-K128 VanDerWaalsContact CD1-CD 3.41Å; F123-K128 HydrophobicContact CE1-CD 4.06Å; F123-K128 HydrophobicContact CG-CD 4.22Å; F123-K128 VanDerWaalsContact O-CB 3.3Å; F123-K128 WeakPolarHBondContact O-CB 3.4Å; F123-K128 PolarHBondContact O-N 2.81Å; F123-K128 VanDerWaalsContact O-N 3.11Å; K128-V130 PolarHBondContact O-N 2.8Å
129A98.9Very high98.4Very high62 Ų6228 Ų2851%0.51219%0.185SC..EExtended strand (participates in β ladder)trans-76.7112.9170.600000109.1R105 R106 V107R105-A129 PolarHBondContact O-N 3.21Å; R106-A129 CarbonylContact C-O 3.56Å; R106-A129 WeakPolarHBondContact CA-O 3.45Å; V107-A129 PolarHBondContact N-O 2.81Å
130V98.9Very high98.3Very high5 Ų528 Ų283%0.0319%0.185CC..EExtended strand (participates in β ladder)trans-110.1128.2-174.8-176.70000110.3V107 I109 A120 F123 C124 K128 V161 H162V107-V130 WeakPolarHBondContact O-CA 3.39Å; I109-V130 HydrophobicContact CD1-CG1 3.86Å; I109-V130 HydrophobicContact CG1-CG1 4.45Å; A120-V130 HydrophobicContact CB-CG1 4.12Å; F123-V130 HydrophobicContact CB-CG2 3.57Å; C124-V130 HydrophobicContact CB-CG2 4.12Å; K128-V130 PolarHBondContact O-N 2.8Å; V130-V161 HydrophobicContact CB-CG1 4.3Å; V130-V161 HydrophobicContact CB-CG2 4.43Å; V130-V161 HydrophobicContact CG1-CG1 3.98Å; V130-H162 PolarHBondContact O-N 2.83Å
131T98.9Very high98.2Very high16 Ų1629.9 Ų29.910%0.09820%0.201CC..EExtended strand (participates in β ladder)trans-110.7130.7161.6-58.70000108.4V107 L108 I109 I133 H162 L164 I189V107-T131 PolarHBondContact O-N 2.62Å; L108-T131 CarbonylContact C-O 3.58Å; L108-T131 WeakPolarHBondContact CA-O 3.48Å; L108-T131 HydrophobicContact CD1-CG2 3.99Å; I109-T131 PolarHBondContact N-O 2.99Å; T131-I133 HydrophobicContact CG2-CG2 4.14Å; T131-H162 CarbonylContact C-O 3.59Å; T131-H162 WeakPolarHBondContact CA-O 3.48Å; T131-H162 HydrophobicContact CG2-CB 4.38Å; T131-H162 WeakPolarHBondContact CG2-O 3.39Å; T131-L164 HydrophobicContact CG2-CD1 3.9Å; T131-L164 HydrophobicContact CG2-CG 4.21Å; T131-I189 HydrophobicContact CG2-CD1 3.82Å
132L98.9Very high98Very high0 Ų033.7 Ų33.70%023%0.227CC..EExtended strand (participates in β ladder)trans-114.5132.1172.1-179.4150.5000109.1I109 G116 A120 I139 V161 H162 L163 L164I109-L132 HydrophobicContact CB-CB 4.47Å; I109-L132 HydrophobicContact CB-CD1 4.46Å; I109-L132 HydrophobicContact CB-CG 4.43Å; I109-L132 HydrophobicContact CG2-CD1 4.11Å; I109-L132 HydrophobicContact CG2-CG 4.38Å; I109-L132 WeakPolarHBondContact O-CA 3.33Å; G116-L132 WeakPolarHBondContact O-CD1 3.39Å; A120-L132 HydrophobicContact CB-CD1 3.81Å; L132-I139 HydrophobicContact CD2-CG2 4.48Å; L132-V161 HydrophobicContact CB-CG1 4.26Å; L132-H162 PolarHBondContact N-O 3.36Å; L132-L163 HydrophobicContact CB-CD2 3.89Å; L132-L163 HydrophobicContact CD2-CD2 4.05Å; L132-L163 HydrophobicContact CG-CD2 4.44Å; L132-L164 PolarHBondContact O-N 3.44Å
133I98.7Very high97.8Very high2 Ų234.7 Ų34.71%0.0123%0.233CC..EExtended strand (participates in β ladder)trans-118.3143.5175.972.7175.4000110.3L108 I109 V110 G111 T131 L164 L169 L183L108-I133 HydrophobicContact CD1-CD1 4.42Å; L108-I133 HydrophobicContact CD1-CG1 4.36Å; L108-I133 HydrophobicContact CD1-CG2 3.69Å; I109-I133 PolarHBondContact O-N 2.83Å; V110-I133 HydrophobicContact CB-CD1 4.47Å; V110-I133 HydrophobicContact CB-CG1 4.24Å; V110-I133 HydrophobicContact CG1-CD1 4.07Å; V110-I133 HydrophobicContact CG1-CG1 4.03Å; V110-I133 HydrophobicContact CG2-CD1 3.98Å; V110-I133 HydrophobicContact CG2-CG1 4.09Å; G111-I133 PolarHBondContact N-O 3.29Å; T131-I133 HydrophobicContact CG2-CG2 4.14Å; I133-L164 WeakPolarHBondContact CA-O 3.42Å; I133-L164 HydrophobicContact CG2-CB 3.97Å; I133-L164 HydrophobicContact CG2-CD1 4.24Å; I133-L169 HydrophobicContact CD1-CB 3.94Å; I133-L183 HydrophobicContact CD1-CD2 3.62Å; I133-L183 HydrophobicContact CG2-CD1 4.22Å
134D98.4Very high97.6Very high36 Ų3634.8 Ų34.819%0.19323%0.233CC..  trans-148.7150.2170-160.7-68.4000110G111 G112 A136 L164 L165 K166 S167G111-D134 WeakPolarHBondContact CA-OD2 3.44Å; G112-D134 WeakPolarHBondContact CA-OD2 3.39Å; G112-D134 PolarHBondContact N-OD2 2.91Å; D134-A136 VanDerWaalsContact C-N 3.26Å; D134-A136 PolarHBondContact O-N 2.81Å; D134-A136 WeakPolarHBondContact OD1-CB 3.29Å; D134-A136 PolarHBondContact OD1-N 2.89Å; D134-L164 PolarHBondContact N-O 2.87Å; D134-L165 HydrophobicContact CB-CD2 4.17Å; D134-L165 CarbonylContact O-C 3.55Å; D134-K166 PolarHBondContact O-N 3.31Å; D134-S167 CarbonylContact C-O 3.49Å; D134-S167 VanDerWaalsContact C-O 3.23Å; D134-S167 PolarHBondContact O-N 2.82Å; D134-S167 VanDerWaalsContact O-O 3.12Å
135N97Very high97.4Very high106 Ų10635.2 Ų35.257%0.56724%0.236SC*.SBendtrans-69.6-27.1174.4-64.6-23.9000111.9K166 S167 Q168N135-K166 WeakPolarHBondContact O-CA 3.44Å; N135-S167 PolarHBondContact OD1-O 2.87Å; N135-Q168 WeakPolarHBondContact OD1-CA 3.29Å; N135-Q168 VanDerWaalsContact OD1-CB 3.29Å; N135-Q168 WeakPolarHBondContact OD1-CB 3.46Å
136A97.3Very high97.2Very high26 Ų2633 Ų3322%0.21524%0.236CC..SBendtrans-71.7160.3179.200000112.2D134 S138 A141 L165 K166D134-A136 VanDerWaalsContact C-N 3.26Å; D134-A136 PolarHBondContact O-N 2.81Å; D134-A136 WeakPolarHBondContact OD1-CB 3.29Å; D134-A136 PolarHBondContact OD1-N 2.89Å; A136-S138 VanDerWaalsContact C-N 3.3Å; A136-A141 HydrophobicContact CB-CB 3.67Å; A136-L165 WeakPolarHBondContact O-CB 3.35Å; A136-K166 PolarHBondContact O-N 2.97Å
137A96.8Very high96.9Very high57 Ų5736.9 Ų36.947%0.47125%0.247SC..SBendtrans-80.6-8.917900000114.2K166A137-K166 HydrophobicContact CB-CD 4.4Å; A137-K166 HydrophobicContact CB-CG 4.18Å
138S97.7Very high96.7Very high5 Ų533.5 Ų33.54%0.03521%0.212CC..SBendtrans-151.1157.4-179.560.20000109.6A136A136-S138 VanDerWaalsContact C-N 3.3Å
139I98.4Very high96.5Very high0 Ų032.1 Ų32.10%021%0.206CC..THydrogen-bonded Turntrans-68.7157.916966.2174.2000110.3G112 L132 A141 S149 L152 Q153 L156 L165G112-I139 WeakPolarHBondContact O-CA 3.45Å; L132-I139 HydrophobicContact CD2-CG2 4.48Å; I139-A141 PolarHBondContact O-N 3.43Å; I139-A141 VanDerWaalsContact O-N 3.11Å; I139-S149 VanDerWaalsContact O-CB 3.26Å; I139-S149 WeakPolarHBondContact O-CB 3.19Å; I139-S149 PolarHBondContact O-OG 2.79Å; I139-L152 HydrophobicContact CD1-CB 3.96Å; I139-L152 HydrophobicContact CD1-CD2 3.74Å; I139-L152 HydrophobicContact CD1-CG 3.68Å; I139-Q153 HydrophobicContact CD1-CB 3.93Å; I139-Q153 HydrophobicContact CG1-CB 4.08Å; I139-Q153 HydrophobicContact CG1-CG 4.5Å; I139-L156 HydrophobicContact CD1-CD1 3.83Å; I139-L165 HydrophobicContact CG2-CD2 4.2Å
140L97.5Very high96.4Very high0 Ų031.9 Ų31.90%020%0.201CC..THydrogen-bonded Turntrans56.425.5177.8-54.1173.3000113.5G112 L114 S142 L143 M144 L152 I278G112-L140 PolarHBondContact O-N 2.97Å; L114-L140 HydrophobicContact CB-CD2 4.38Å; L140-S142 PolarHBondContact O-N 2.86Å; L140-S142 VanDerWaalsContact O-N 3.13Å; L140-L143 HydrophobicContact CB-CB 4.42Å; L140-L143 HydrophobicContact CD2-CD1 4.29Å; L140-L143 CarbonylContact O-C 3.56Å; L140-L143 WeakPolarHBondContact O-CA 3.44Å; L140-L143 WeakPolarHBondContact O-CB 3.46Å; L140-L143 PolarHBondContact O-N 3.14Å; L140-M144 HydrophobicContact CB-CE 4.29Å; L140-M144 HydrophobicContact CB-CG 4.14Å; L140-M144 HydrophobicContact CB-SD 4.39Å; L140-M144 HydrophobicContact CD1-CE 3.82Å; L140-M144 HydrophobicContact CD1-SD 4.07Å; L140-M144 PolarHBondContact O-N 2.56Å; L140-L152 HydrophobicContact CD1-CD2 3.59Å; L140-L152 HydrophobicContact CG-CD2 4.44Å; L140-I278 HydrophobicContact CD1-CD1 3.46Å; L140-I278 VanDerWaalsContact CD1-CD1 3.46Å; L140-I278 HydrophobicContact CD2-CD1 3.94Å; L140-I278 HydrophobicContact CG-CD1 4.3Å
141A96.5Very high96.2Very high41 Ų4134.6 Ų34.634%0.33921%0.21SC..THydrogen-bonded Turntrans-59.2-29.2-173.800000113.8A136 I139 L143 Q292A136-A141 HydrophobicContact CB-CB 3.67Å; I139-A141 PolarHBondContact O-N 3.43Å; I139-A141 VanDerWaalsContact O-N 3.11Å; A141-L143 PolarHBondContact O-N 3.27Å; A141-Q292 PolarHBondContact O-NE2 3.02Å
142S93.3Very high96.1Very high80 Ų8033.8 Ų33.856%0.55921%0.206SC*.THydrogen-bonded Turntrans-78.6-5.6174.672.40000114L140 Q292L140-S142 PolarHBondContact O-N 2.86Å; L140-S142 VanDerWaalsContact O-N 3.13Å; S142-Q292 WeakPolarHBondContact O-CG 3.24Å; S142-Q292 PolarHBondContact O-NE2 2.72Å; S142-Q292 PolarHBondContact O-OE1 2.9Å
143L94.8Very high96.1Very high24 Ų2436.4 Ų36.413%0.12622%0.218CC..THydrogen-bonded Turntrans-118.9-27.9-176.5-68.7-176000113L114 L140 A141 I278 L287 T291L114-L143 HydrophobicContact CB-CD1 3.88Å; L114-L143 HydrophobicContact CD1-CD1 3.99Å; L114-L143 HydrophobicContact CG-CD1 4.46Å; L140-L143 HydrophobicContact CB-CB 4.42Å; L140-L143 HydrophobicContact CD2-CD1 4.29Å; L140-L143 CarbonylContact O-C 3.56Å; L140-L143 WeakPolarHBondContact O-CA 3.44Å; L140-L143 WeakPolarHBondContact O-CB 3.46Å; L140-L143 PolarHBondContact O-N 3.14Å; A141-L143 PolarHBondContact O-N 3.27Å; L143-I278 HydrophobicContact CD1-CD1 4.32Å; L143-L287 HydrophobicContact CB-CD1 3.95Å; L143-L287 HydrophobicContact CD2-CD1 4.45Å; L143-T291 WeakPolarHBondContact O-CB 3.48Å; L143-T291 PolarHBondContact O-OG1 2.8Å
144M94.7Very high96Very high1 Ų141.8 Ų41.81%0.00524%0.242CC..SBendtrans-160.9159.6-179.663.2-166.372.600111.9L140 V148 I278 L287 V322L140-M144 HydrophobicContact CB-CE 4.29Å; L140-M144 HydrophobicContact CB-CG 4.14Å; L140-M144 HydrophobicContact CB-SD 4.39Å; L140-M144 HydrophobicContact CD1-CE 3.82Å; L140-M144 HydrophobicContact CD1-SD 4.07Å; L140-M144 PolarHBondContact O-N 2.56Å; M144-V148 HydrophobicContact CB-CB 4.21Å; M144-V148 HydrophobicContact CB-CG1 4.27Å; M144-V148 HydrophobicContact CG-CB 4.33Å; M144-V148 HydrophobicContact CG-CG1 4.43Å; M144-V148 HydrophobicContact SD-CB 4.35Å; M144-V148 HydrophobicContact SD-CG1 3.94Å; M144-I278 HydrophobicContact CE-CD1 3.73Å; M144-L287 HydrophobicContact CE-CD1 4.08Å; M144-L287 HydrophobicContact CE-CD2 4.36Å; M144-V322 HydrophobicContact CB-CG2 4.4Å; M144-V322 HydrophobicContact CE-CG1 4.25Å; M144-V322 HydrophobicContact CE-CG2 4.31Å; M144-V322 HydrophobicContact SD-CG1 4.32Å; M144-V322 HydrophobicContact SD-CG2 4.4Å
145P94.1Very high96Very high29 Ų2943.8 Ų43.819%0.18825%0.247CC..  trans-64.8158.3174.1-21.132.7000113.5E147 V148 S149 W298P145-E147 VanDerWaalsContact C-N 3.28Å; P145-E147 WeakPolarHBondContact CB-OE2 3.26Å; P145-E147 PolarHBondContact O-N 3.16Å; P145-V148 HydrophobicContact CG-CG2 4.47Å; P145-V148 PolarHBondContact O-N 3.29Å; P145-S149 PolarHBondContact O-N 3.39Å; P145-S149 VanDerWaalsContact O-N 3.1Å; P145-W298 HydrophobicContact CG-CZ2 4.18Å
146P95Very high96.1Very high64 Ų6438.7 Ų38.742%0.41622%0.22SC..Hα-helixtrans-55.1-38.6-179.2-25.334000114.4V148 S149 S150P146-V148 PolarHBondContact O-N 3.11Å; P146-S149 PolarHBondContact O-N 2.91Å; P146-S149 PolarHBondContact O-OG 3.25Å; P146-S150 WeakPolarHBondContact O-CA 3.46Å; P146-S150 WeakPolarHBondContact O-CB 3.24Å; P146-S150 PolarHBondContact O-N 2.83Å
147E92.2Very high96.1Very high121 Ų12141 Ų4157%0.56523%0.231SC*.Hα-helixtrans-63.2-34.7-178.9-60.177.2-170.700110.9P145 S150 I300P145-E147 VanDerWaalsContact C-N 3.28Å; P145-E147 WeakPolarHBondContact CB-OE2 3.26Å; P145-E147 PolarHBondContact O-N 3.16Å; E147-S150 PolarHBondContact O-OG 2.7Å; E147-I300 HydrophobicContact CB-CD1 3.8Å
148V93Very high96.2Very high0 Ų043.6 Ų43.60%023%0.234CC..Hα-helixtrans-80.8-38-179.5-173.40000111.4M144 P145 P146 S150 W298 I300 M307 A309 V322M144-V148 HydrophobicContact CB-CB 4.21Å; M144-V148 HydrophobicContact CB-CG1 4.27Å; M144-V148 HydrophobicContact CG-CB 4.33Å; M144-V148 HydrophobicContact CG-CG1 4.43Å; M144-V148 HydrophobicContact SD-CB 4.35Å; M144-V148 HydrophobicContact SD-CG1 3.94Å; P145-V148 HydrophobicContact CG-CG2 4.47Å; P145-V148 PolarHBondContact O-N 3.29Å; P146-V148 PolarHBondContact O-N 3.11Å; V148-S150 VanDerWaalsContact C-N 3.33Å; V148-W298 HydrophobicContact CG1-CZ3 4.49Å; V148-W298 HydrophobicContact CG2-CD2 3.85Å; V148-W298 HydrophobicContact CG2-CE3 3.67Å; V148-W298 HydrophobicContact CG2-CG 4.3Å; V148-W298 HydrophobicContact CG2-CZ3 4.06Å; V148-I300 HydrophobicContact CG2-CD1 3.86Å; V148-I300 HydrophobicContact CG2-CG1 4.47Å; V148-M307 HydrophobicContact CG1-CE 3.86Å; V148-A309 HydrophobicContact CG1-CB 3.77Å; V148-A309 HydrophobicContact CG2-CB 4.16Å; V148-V322 HydrophobicContact CG1-CB 3.63Å; V148-V322 HydrophobicContact CG1-CG1 4.01Å; V148-V322 HydrophobicContact CG1-CG2 3.57Å
149S95.8Very high96.2Very high0 Ų045.6 Ų45.60%024%0.243CC..Hα-helixtrans-80-12.9176.564.60000114I139 P145 P146 R151 L152 Q153I139-S149 VanDerWaalsContact O-CB 3.26Å; I139-S149 WeakPolarHBondContact O-CB 3.19Å; I139-S149 PolarHBondContact O-OG 2.79Å; P145-S149 PolarHBondContact O-N 3.39Å; P145-S149 VanDerWaalsContact O-N 3.1Å; P146-S149 PolarHBondContact O-N 2.91Å; P146-S149 PolarHBondContact O-OG 3.25Å; S149-R151 VanDerWaalsContact C-N 3.26Å; S149-R151 PolarHBondContact O-N 2.85Å; S149-R151 VanDerWaalsContact O-N 3.15Å; S149-L152 PolarHBondContact O-N 2.72Å; S149-L152 VanDerWaalsContact O-N 3.11Å; S149-Q153 PolarHBondContact O-N 2.76Å
150S95.5Very high96.2Very high57 Ų5748.1 Ų48.140%0.39927%0.27SS..Hα-helixtrans-53-37.8-175.767.70000114.1P146 E147 V148 Q153 H154P146-S150 WeakPolarHBondContact O-CA 3.46Å; P146-S150 WeakPolarHBondContact O-CB 3.24Å; P146-S150 PolarHBondContact O-N 2.83Å; E147-S150 PolarHBondContact O-OG 2.7Å; V148-S150 VanDerWaalsContact C-N 3.33Å; S150-Q153 WeakPolarHBondContact O-CB 3.42Å; S150-Q153 PolarHBondContact O-N 3.07Å; S150-H154 WeakPolarHBondContact O-CB 3.38Å; S150-H154 PolarHBondContact O-N 3.49Å
151R94.9Very high96.3Very high61 Ų6148.3 Ų48.323%0.2327%0.271CS..Hα-helixtrans-66-44.8-179.6-159-167.616492.5-5.4111.6S149 Q153 H154 R155 L283 E303 R304 E325S149-R151 VanDerWaalsContact C-N 3.26Å; S149-R151 PolarHBondContact O-N 2.85Å; S149-R151 VanDerWaalsContact O-N 3.15Å; R151-Q153 VanDerWaalsContact C-N 3.34Å; R151-H154 PolarHBondContact O-N 3.27Å; R151-R155 PolarHBondContact O-N 3.43Å; R151-L283 HydrophobicContact CB-CD1 4.18Å; R151-L283 HydrophobicContact CG-CD1 3.69Å; R151-L283 WeakPolarHBondContact O-CD1 3.36Å; R151-E303 PolarHBondContact NH1-O 3.09Å; R151-E303 PolarHBondContact NH2-O 3.13Å; R151-R304 PolarHBondContact NH2-O 2.91Å; R151-E325 IonicContact CZ-OE1 2.85Å; R151-E325 IonicContact CZ-OE2 2.82Å; R151-E325 VanDerWaalsContact CZ-OE2 3.3Å; R151-E325 IonicContact NE-OE1 3.89Å; R151-E325 IonicContact NE-OE2 3.64Å; R151-E325 PolarHBondContact NE-OE2 3.44Å; R151-E325 IonicContact NH2-OE1 3.98Å; R151-E325 PolarHBondContact NH2-OE1 3.24Å; R151-E325 IonicContact NH2-OE2 3.75Å; R151-E325 PolarHBondContact NH2-OE2 3.38Å
152L97.9Very high96.4Very high0 Ų051.3 Ų51.30%028%0.277CS..Hα-helixtrans-65.6-40.6173.8-179.865.2000111.1M121 I139 L140 S149 H154 R155 L156 T280 L283 L285M121-L152 HydrophobicContact CE-CD1 3.94Å; I139-L152 HydrophobicContact CD1-CB 3.96Å; I139-L152 HydrophobicContact CD1-CD2 3.74Å; I139-L152 HydrophobicContact CD1-CG 3.68Å; L140-L152 HydrophobicContact CD1-CD2 3.59Å; L140-L152 HydrophobicContact CG-CD2 4.44Å; S149-L152 PolarHBondContact O-N 2.72Å; S149-L152 VanDerWaalsContact O-N 3.11Å; L152-H154 VanDerWaalsContact C-N 3.33Å; L152-H154 PolarHBondContact O-N 3.47Å; L152-R155 PolarHBondContact O-N 2.88Å; L152-L156 HydrophobicContact CD1-CG 4.34Å; L152-L156 HydrophobicContact CG-CD1 4.27Å; L152-L156 HydrophobicContact CG-CG 4.42Å; L152-L156 WeakPolarHBondContact O-CG 3.44Å; L152-L156 PolarHBondContact O-N 2.93Å; L152-T280 HydrophobicContact CD1-CG2 3.97Å; L152-T280 HydrophobicContact CD2-CG2 4.33Å; L152-L283 HydrophobicContact CB-CD2 4.24Å; L152-L283 HydrophobicContact CD1-CB 4.11Å; L152-L283 HydrophobicContact CD1-CD2 4.37Å; L152-L285 HydrophobicContact CB-CD1 4.31Å; L152-L285 HydrophobicContact CD1-CD1 4.28Å; L152-L285 HydrophobicContact CD2-CD1 3.82Å; L152-L285 HydrophobicContact CG-CD1 4.35Å
153Q98.3Very high96.6Very high54 Ų5448.8 Ų48.825%0.25226%0.258SS..Hα-helixtrans-58.7-46.1177.2-167.8179.5-74.600111.5I139 S149 S150 R151 L156 T157 L163 L165I139-Q153 HydrophobicContact CD1-CB 3.93Å; I139-Q153 HydrophobicContact CG1-CB 4.08Å; I139-Q153 HydrophobicContact CG1-CG 4.5Å; S149-Q153 PolarHBondContact O-N 2.76Å; S150-Q153 WeakPolarHBondContact O-CB 3.42Å; S150-Q153 PolarHBondContact O-N 3.07Å; R151-Q153 VanDerWaalsContact C-N 3.34Å; Q153-L156 PolarHBondContact O-N 3.37Å; Q153-T157 PolarHBondContact O-N 3.31Å; Q153-T157 VanDerWaalsContact O-N 3.12Å; Q153-T157 PolarHBondContact O-OG1 2.93Å; Q153-T157 VanDerWaalsContact O-OG1 3.12Å; Q153-L163 HydrophobicContact CG-CD1 3.44Å; Q153-L163 VanDerWaalsContact CG-CD1 3.44Å; Q153-L165 VanDerWaalsContact OE1-CD1 3.31Å
154H97Very high96.8Very high115 Ų11548.8 Ų48.853%0.53226%0.258SS..Hα-helixtrans-62.7-45176.6-169.356.8000111.2S150 R151 L152 L156 T157 E158S150-H154 WeakPolarHBondContact O-CB 3.38Å; S150-H154 PolarHBondContact O-N 3.49Å; R151-H154 PolarHBondContact O-N 3.27Å; L152-H154 VanDerWaalsContact C-N 3.33Å; L152-H154 PolarHBondContact O-N 3.47Å; H154-L156 PolarHBondContact O-N 2.66Å; H154-T157 PolarHBondContact O-N 3.17Å; H154-T157 VanDerWaalsContact O-N 3.16Å; H154-E158 IonicContact CD2-OE1 2.61Å; H154-E158 PolarHBondContact CD2-OE1 2.88Å; H154-E158 IonicContact NE2-OE1 2.96Å; H154-E158 PolarHBondContact NE2-OE1 3.16Å; H154-E158 WeakPolarHBondContact O-CG 3.23Å; H154-E158 PolarHBondContact O-N 2.94Å
155R97.8Very high97Very high78 Ų7850.3 Ų50.329%0.29427%0.266SS..Hα-helixtrans-59.2-44.4178.4-173.262176.4156.93.9112.5R151 L152 T157 E158 M159 E282 L283R151-R155 PolarHBondContact O-N 3.43Å; L152-R155 PolarHBondContact O-N 2.88Å; R155-T157 VanDerWaalsContact C-N 3.35Å; R155-T157 PolarHBondContact O-N 3.5Å; R155-E158 IonicContact NH1-OE2 2.63Å; R155-E158 PolarHBondContact NH1-OE2 3.44Å; R155-E158 PolarHBondContact O-N 2.77Å; R155-M159 HydrophobicContact CG-SD 4.27Å; R155-M159 VanDerWaalsContact O-CG 3.22Å; R155-M159 WeakPolarHBondContact O-CG 3.3Å; R155-M159 PolarHBondContact O-N 2.83Å; R155-E282 HydrophobicContact CG-CB 4.33Å; R155-E282 IonicContact CZ-OE2 3.03Å; R155-E282 IonicContact NE-OE2 2.76Å; R155-E282 IonicContact NH2-OE2 2.9Å; R155-E282 PolarHBondContact NH2-OE2 3.28Å; R155-L283 HydrophobicContact CB-CB 4.38Å; R155-L283 HydrophobicContact CB-CD1 3.88Å; R155-L283 HydrophobicContact CG-CB 4.11Å; R155-L283 HydrophobicContact CG-CD1 4.35Å
156L98.8Very high97.1Very high0 Ų055 Ų550%028%0.283CS..Hα-helixtrans-61.2-43.7176.3-70.7174.3000111.4M121 I139 L152 Q153 H154 M159 G160 V161 L163M121-L156 HydrophobicContact CB-CD2 3.91Å; M121-L156 HydrophobicContact CE-CD2 3.87Å; I139-L156 HydrophobicContact CD1-CD1 3.83Å; L152-L156 HydrophobicContact CD1-CG 4.34Å; L152-L156 HydrophobicContact CG-CD1 4.27Å; L152-L156 HydrophobicContact CG-CG 4.42Å; L152-L156 WeakPolarHBondContact O-CG 3.44Å; L152-L156 PolarHBondContact O-N 2.93Å; Q153-L156 PolarHBondContact O-N 3.37Å; H154-L156 PolarHBondContact O-N 2.66Å; L156-M159 PolarHBondContact O-N 2.86Å; L156-G160 PolarHBondContact O-N 2.93Å; L156-V161 HydrophobicContact CB-CB 4.17Å; L156-V161 HydrophobicContact CB-CG2 4.28Å; L156-V161 HydrophobicContact CD2-CG2 4.24Å; L156-V161 VanDerWaalsContact O-CB 3.27Å; L156-V161 WeakPolarHBondContact O-CB 3.45Å; L156-V161 WeakPolarHBondContact O-CG2 3.44Å; L156-V161 PolarHBondContact O-N 3.23Å; L156-L163 HydrophobicContact CB-CD1 4.49Å
157T98.6Very high97.3Very high73 Ų7352 Ų5245%0.44826%0.264SS..Hα-helixtrans-63.9-42.8176.4-580000112.2Q153 H154 R155 M159 G160Q153-T157 PolarHBondContact O-N 3.31Å; Q153-T157 VanDerWaalsContact O-N 3.12Å; Q153-T157 PolarHBondContact O-OG1 2.93Å; Q153-T157 VanDerWaalsContact O-OG1 3.12Å; H154-T157 PolarHBondContact O-N 3.17Å; H154-T157 VanDerWaalsContact O-N 3.16Å; R155-T157 VanDerWaalsContact C-N 3.35Å; R155-T157 PolarHBondContact O-N 3.5Å; T157-M159 VanDerWaalsContact C-N 3.26Å; T157-M159 PolarHBondContact O-N 2.79Å; T157-G160 WeakPolarHBondContact O-CA 3.15Å; T157-G160 PolarHBondContact O-N 2.91Å
158E98.4Very high97.5Very high113 Ų11350.9 Ų50.953%0.52826%0.259SS..Hα-helixtrans-60.3-36.5175.3-74.7-177.2154.200112.4H154 R155 G160H154-E158 IonicContact CD2-OE1 2.61Å; H154-E158 PolarHBondContact CD2-OE1 2.88Å; H154-E158 IonicContact NE2-OE1 2.96Å; H154-E158 PolarHBondContact NE2-OE1 3.16Å; H154-E158 WeakPolarHBondContact O-CG 3.23Å; H154-E158 PolarHBondContact O-N 2.94Å; R155-E158 IonicContact NH1-OE2 2.63Å; R155-E158 PolarHBondContact NH1-OE2 3.44Å; R155-E158 PolarHBondContact O-N 2.77Å; E158-G160 PolarHBondContact O-N 2.98Å
159M98.2Very high97.7Very high46 Ų4651.2 Ų51.223%0.22726%0.26CS..THydrogen-bonded Turntrans-69.3-11.9174.4-68.4174.663.900112.8M121 C124 R125 R155 L156 T157 E282M121-M159 HydrophobicContact CE-SD 3.89Å; M121-M159 HydrophobicContact CG-CE 3.73Å; M121-M159 HydrophobicContact CG-SD 4.14Å; M121-M159 HydrophobicContact SD-SD 4.49Å; C124-M159 HydrophobicContact CB-CE 4.44Å; C124-M159 PolarHBondContact SG-O 3.11Å; R125-M159 HydrophobicContact CG-CE 3.81Å; R155-M159 HydrophobicContact CG-SD 4.27Å; R155-M159 VanDerWaalsContact O-CG 3.22Å; R155-M159 WeakPolarHBondContact O-CG 3.3Å; R155-M159 PolarHBondContact O-N 2.83Å; L156-M159 PolarHBondContact O-N 2.86Å; T157-M159 VanDerWaalsContact C-N 3.26Å; T157-M159 PolarHBondContact O-N 2.79Å; M159-E282 HydrophobicContact CE-CG 3.99Å; M159-E282 HydrophobicContact SD-CB 3.93Å; M159-E282 HydrophobicContact SD-CG 3.89Å
160G98.4Very high97.9Very high54 Ų5455.8 Ų55.856%0.55728%0.282SS*.THydrogen-bonded Turntrans97.310.8-179.900000114.4L156 T157 E158 H162L156-G160 PolarHBondContact O-N 2.93Å; T157-G160 WeakPolarHBondContact O-CA 3.15Å; T157-G160 PolarHBondContact O-N 2.91Å; E158-G160 PolarHBondContact O-N 2.98Å; G160-H162 PolarHBondContact O-N 2.86Å
161V98.9Very high98Very high3 Ų353.6 Ų53.62%0.01827%0.268CS..  trans-69.5121.5171-177.20000108.9A120 C124 V130 L132 L156 L163A120-V161 HydrophobicContact CB-CG1 4.08Å; A120-V161 HydrophobicContact CB-CG2 4.45Å; C124-V161 HydrophobicContact CB-CG2 3.84Å; V130-V161 HydrophobicContact CB-CG1 4.3Å; V130-V161 HydrophobicContact CB-CG2 4.43Å; V130-V161 HydrophobicContact CG1-CG1 3.98Å; L132-V161 HydrophobicContact CB-CG1 4.26Å; L156-V161 HydrophobicContact CB-CB 4.17Å; L156-V161 HydrophobicContact CB-CG2 4.28Å; L156-V161 HydrophobicContact CD2-CG2 4.24Å; L156-V161 VanDerWaalsContact O-CB 3.27Å; L156-V161 WeakPolarHBondContact O-CB 3.45Å; L156-V161 WeakPolarHBondContact O-CG2 3.44Å; L156-V161 PolarHBondContact O-N 3.23Å; V161-L163 HydrophobicContact CG1-CD2 3.71Å; V161-L163 HydrophobicContact CG1-CG 4.46Å; V161-L163 PolarHBondContact O-N 3.19Å
162H98.7Very high98.2Very high104 Ų10451.3 Ų51.348%0.48126%0.26SS..EExtended strand (participates in β ladder)trans-81.1104.9176.5-172-165.9000110.2V130 T131 L132 G160 L164V130-H162 PolarHBondContact O-N 2.83Å; T131-H162 CarbonylContact C-O 3.59Å; T131-H162 WeakPolarHBondContact CA-O 3.48Å; T131-H162 HydrophobicContact CG2-CB 4.38Å; T131-H162 WeakPolarHBondContact CG2-O 3.39Å; L132-H162 PolarHBondContact N-O 3.36Å; G160-H162 PolarHBondContact O-N 2.86Å; H162-L164 WeakPolarHBondContact NE2-CD2 3.41Å
163L98.7Very high98.2Very high28 Ų2857.3 Ų57.315%0.14729%0.288CS..EExtended strand (participates in β ladder)trans-90.8112.2-179.9-58.6-177.8000111.1L132 Q153 L156 V161 L165L132-L163 HydrophobicContact CB-CD2 3.89Å; L132-L163 HydrophobicContact CD2-CD2 4.05Å; L132-L163 HydrophobicContact CG-CD2 4.44Å; Q153-L163 HydrophobicContact CG-CD1 3.44Å; Q153-L163 VanDerWaalsContact CG-CD1 3.44Å; L156-L163 HydrophobicContact CB-CD1 4.49Å; V161-L163 HydrophobicContact CG1-CD2 3.71Å; V161-L163 HydrophobicContact CG1-CG 4.46Å; V161-L163 PolarHBondContact O-N 3.19Å; L163-L165 HydrophobicContact CB-CG 4.47Å
164L98.1Very high98.2Very high23 Ų2360.8 Ų60.812%0.1230%0.302CS..EExtended strand (participates in β ladder)trans-106.482.6170.3-55.8174.6000109.3T131 L132 I133 D134 H162 S167 L183 I189T131-L164 HydrophobicContact CG2-CD1 3.9Å; T131-L164 HydrophobicContact CG2-CG 4.21Å; L132-L164 PolarHBondContact O-N 3.44Å; I133-L164 WeakPolarHBondContact CA-O 3.42Å; I133-L164 HydrophobicContact CG2-CB 3.97Å; I133-L164 HydrophobicContact CG2-CD1 4.24Å; D134-L164 PolarHBondContact N-O 2.87Å; H162-L164 WeakPolarHBondContact NE2-CD2 3.41Å; L164-S167 WeakPolarHBondContact O-CB 3.46Å; L164-S167 PolarHBondContact O-OG 3.19Å; L164-L183 HydrophobicContact CD1-CD1 3.82Å; L164-I189 HydrophobicContact CD1-CD1 3.37Å
165L97.9Very high98.3Very high33 Ų3357 Ų5717%0.17329%0.287CS..  trans-77.2164.3175-59.2174.1000110.5D134 A136 I139 Q153 L163 S167D134-L165 HydrophobicContact CB-CD2 4.17Å; D134-L165 CarbonylContact O-C 3.55Å; A136-L165 WeakPolarHBondContact O-CB 3.35Å; I139-L165 HydrophobicContact CG2-CD2 4.2Å; Q153-L165 VanDerWaalsContact OE1-CD1 3.31Å; L163-L165 HydrophobicContact CB-CG 4.47Å; L165-S167 PolarHBondContact O-N 2.81Å; L165-S167 VanDerWaalsContact O-N 3.16Å; L165-S167 PolarHBondContact O-OG 3.01Å
166K97.3Very high98.2Very high127 Ų12762 Ų6255%0.55232%0.32SS*.SBendtrans48.538.1-171.3-56.6-176.3176.2179.10112.7D134 N135 A136 A137 R185D134-K166 PolarHBondContact O-N 3.31Å; N135-K166 WeakPolarHBondContact O-CA 3.44Å; A136-K166 PolarHBondContact O-N 2.97Å; A137-K166 HydrophobicContact CB-CD 4.4Å; A137-K166 HydrophobicContact CB-CG 4.18Å; K166-R185 PolarHBondContact O-NH1 2.99Å
167S98Very high97.9Very high2 Ų265.5 Ų65.51%0.01434%0.344CS..  trans-130.2135.1-174.8-53.40000109.9D134 N135 L164 L165 D184 R187D134-S167 CarbonylContact C-O 3.49Å; D134-S167 VanDerWaalsContact C-O 3.23Å; D134-S167 PolarHBondContact O-N 2.82Å; D134-S167 VanDerWaalsContact O-O 3.12Å; N135-S167 PolarHBondContact OD1-O 2.87Å; L164-S167 WeakPolarHBondContact O-CB 3.46Å; L164-S167 PolarHBondContact O-OG 3.19Å; L165-S167 PolarHBondContact O-N 2.81Å; L165-S167 VanDerWaalsContact O-N 3.16Å; L165-S167 PolarHBondContact O-OG 3.01Å; S167-D184 WeakPolarHBondContact CA-OD1 3.32Å; S167-R187 PolarHBondContact OG-NH1 3.48Å; S167-R187 PolarHBondContact OG-NH2 3.46Å
168Q97.1Very high97.9Very high98 Ų9862.3 Ų62.346%0.45833%0.326SS..  trans-119133.7-174.1-175.2177.6-0.200110.3N135 L183 D184N135-Q168 WeakPolarHBondContact OD1-CA 3.29Å; N135-Q168 VanDerWaalsContact OD1-CB 3.29Å; N135-Q168 WeakPolarHBondContact OD1-CB 3.46Å; Q168-L183 CarbonylContact O-C 3.6Å; Q168-L183 VanDerWaalsContact O-CA 3.27Å; Q168-L183 WeakPolarHBondContact O-CA 3.36Å; Q168-D184 HydrophobicContact CB-CB 4.37Å; Q168-D184 PolarHBondContact N-OD1 3.11Å; Q168-D184 VanDerWaalsContact N-OD1 3.13Å; Q168-D184 PolarHBondContact O-N 3.24Å
169L98.5Very high97.9Very high7 Ų757 Ų574%0.03730%0.301CS..EExtended strand (participates in β ladder)trans-67.8130.2169-173.966.1000109.9V79 M85 V110 I133 L172 A181 L183V79-L169 WeakPolarHBondContact CG1-O 3.39Å; V79-L169 HydrophobicContact CG2-CD2 3.77Å; V79-L169 HydrophobicContact CG2-CG 4.14Å; M85-L169 HydrophobicContact CE-CD2 4.12Å; M85-L169 HydrophobicContact SD-CD2 4.09Å; V110-L169 HydrophobicContact CG1-CB 4.48Å; V110-L169 HydrophobicContact CG2-CD2 4.22Å; I133-L169 HydrophobicContact CD1-CB 3.94Å; L169-L172 HydrophobicContact CD1-CD2 3.75Å; L169-L172 HydrophobicContact CD1-CG 4.36Å; L169-L172 HydrophobicContact CD2-CD1 4.3Å; L169-L172 HydrophobicContact CD2-CD2 4.2Å; L169-L172 HydrophobicContact CD2-CG 4.15Å; L169-A181 HydrophobicContact CD1-CB 4.04Å; L169-L183 HydrophobicContact CD1-CD2 3.95Å
170Q98.3Very high97.9Very high96 Ų9657.1 Ų57.145%0.44930%0.302SS..EExtended strand (participates in β ladder)trans-109.1-27.3178.6-67-70.7-5.400112.6P80 T182P80-Q170 WeakPolarHBondContact CD-O 3.23Å; Q170-T182 HydrophobicContact CB-CG2 4.39Å; Q170-T182 PolarHBondContact N-O 2.85Å
171G98.6Very high97.9Very high10 Ų1054.5 Ų54.510%0.10328%0.276CS..EExtended strand (participates in β ladder)trans-179.5162.7177.400000112.7P80 T182P80-G171 CarbonylContact O-C 3.55Å; P80-G171 VanDerWaalsContact O-CA 3.3Å; P80-G171 WeakPolarHBondContact O-CA 3.26Å; G171-T182 PolarHBondContact N-O 3.43Å; G171-T182 PolarHBondContact O-N 3.43Å
172L98.8Very high97.9Very high13 Ų1357.2 Ų57.27%0.06829%0.292CS..EExtended strand (participates in β ladder)trans-125.8142.5175.1-59.9174.5000109.3P80 G81 L84 M85 L169 I179 L180 A181 V194P80-L172 PolarHBondContact O-N 2.65Å; G81-L172 WeakPolarHBondContact CA-O 3.25Å; L84-L172 HydrophobicContact CB-CD1 4.32Å; L84-L172 HydrophobicContact CD1-CB 4.06Å; M85-L172 HydrophobicContact CG-CD1 3.31Å; M85-L172 HydrophobicContact SD-CD1 4.1Å; L169-L172 HydrophobicContact CD1-CD2 3.75Å; L169-L172 HydrophobicContact CD1-CG 4.36Å; L169-L172 HydrophobicContact CD2-CD1 4.3Å; L169-L172 HydrophobicContact CD2-CD2 4.2Å; L169-L172 HydrophobicContact CD2-CG 4.15Å; L172-I179 HydrophobicContact CB-CG2 4.13Å; L172-I179 HydrophobicContact CD2-CG2 4.08Å; L172-L180 WeakPolarHBondContact CA-O 3.16Å; L172-A181 HydrophobicContact CD2-CB 3.57Å; L172-V194 HydrophobicContact CD1-CB 4.3Å; L172-V194 HydrophobicContact CD1-CG1 4.09Å; L172-V194 HydrophobicContact CD1-CG2 4.28Å; L172-V194 HydrophobicContact CD2-CG1 4.36Å; L172-V194 HydrophobicContact CD2-CG2 3.94Å
173E98.6Very high97.9Very high126 Ų12652.4 Ų52.459%0.58927%0.27SS*.EExtended strand (participates in β ladder)trans-136.3138.4174.9-174.6177.3178.100109.6I179 L180E173-I179 CarbonylContact O-C 2.87Å; E173-I179 WeakPolarHBondContact O-CA 3.3Å; E173-L180 PolarHBondContact N-O 2.84Å; E173-L180 PolarHBondContact O-N 2.74Å
174K98.5Very high97.7Very high127 Ų12752.3 Ų52.355%0.55227%0.27SS*.EExtended strand (participates in β ladder)trans-75.4130174.1-172.372.1-167.2161.40109.2L84 G178 I179L84-K174 HydrophobicContact CD1-CB 4.33Å; L84-K174 HydrophobicContact CD2-CD 4.5Å; K174-G178 WeakPolarHBondContact CD-O 3.38Å; K174-G178 WeakPolarHBondContact CE-O 3.49Å; K174-G178 PolarHBondContact NZ-O 3.29Å; K174-G178 VanDerWaalsContact NZ-O 3.1Å; K174-I179 HydrophobicContact CD-CG1 4.42Å
175T97.7Very high97.5Very high35 Ų3558.4 Ų58.422%0.21529%0.291CS..EExtended strand (participates in β ladder)trans-116.3169.2174.264.30000110.3S177 G178 L180 E190T175-S177 PolarHBondContact O-N 3.27Å; T175-G178 PolarHBondContact N-O 2.94Å; T175-G178 VanDerWaalsContact N-O 3.11Å; T175-G178 PolarHBondContact O-N 3Å; T175-G178 VanDerWaalsContact OG1-C 3.3Å; T175-G178 PolarHBondContact OG1-N 3.06Å; T175-G178 PolarHBondContact OG1-O 2.8Å; T175-L180 HydrophobicContact CG2-CB 3.71Å; T175-E190 PolarHBondContact OG1-OE1 2.88Å
176D95.4Very high97Very high183 Ų18365.5 Ų65.598%0.97932%0.323SS*.THydrogen-bonded Turntrans-60.9-29.9174.3-66.2-25.8000112.3
177S94Very high96.8Very high74 Ų7463.2 Ų63.252%0.51731%0.312SS..THydrogen-bonded Turntrans-102.7-0.6-177.1350000114.9R106 T175 E190R106-S177 PolarHBondContact NH2-O 3.24Å; T175-S177 PolarHBondContact O-N 3.27Å; S177-E190 WeakPolarHBondContact CB-OE1 3.39Å; S177-E190 PolarHBondContact OG-OE1 3.3Å; S177-E190 PolarHBondContact OG-OE2 3.32Å
178G97.5Very high96.8Very high6 Ų666.7 Ų66.76%0.06234%0.336CS..EExtended strand (participates in β ladder)trans159-128.6-178.300000114.4K174 T175 V191K174-G178 WeakPolarHBondContact CD-O 3.38Å; K174-G178 WeakPolarHBondContact CE-O 3.49Å; K174-G178 PolarHBondContact NZ-O 3.29Å; K174-G178 VanDerWaalsContact NZ-O 3.1Å; T175-G178 PolarHBondContact N-O 2.94Å; T175-G178 VanDerWaalsContact N-O 3.11Å; T175-G178 PolarHBondContact O-N 3Å; T175-G178 VanDerWaalsContact OG1-C 3.3Å; T175-G178 PolarHBondContact OG1-N 3.06Å; T175-G178 PolarHBondContact OG1-O 2.8Å; G178-V191 CarbonylContact C-O 3.23Å; G178-V191 WeakPolarHBondContact CA-O 3.27Å
179I98.7Very high96.8Very high2 Ų263.7 Ų63.71%0.0132%0.322CS..EExtended strand (participates in β ladder)trans-134.4121.3177.7-58.6168000106.8L84 L172 E173 K174 E190 V191 V194L84-I179 HydrophobicContact CB-CD1 4.31Å; L84-I179 HydrophobicContact CD1-CG2 4.17Å; L172-I179 HydrophobicContact CB-CG2 4.13Å; L172-I179 HydrophobicContact CD2-CG2 4.08Å; E173-I179 CarbonylContact O-C 2.87Å; E173-I179 WeakPolarHBondContact O-CA 3.3Å; K174-I179 HydrophobicContact CD-CG1 4.42Å; I179-E190 WeakPolarHBondContact O-CA 3.25Å; I179-V191 HydrophobicContact CB-CG2 4.4Å; I179-V191 PolarHBondContact N-O 2.94Å; I179-V191 PolarHBondContact O-N 3.44Å; I179-V194 HydrophobicContact CB-CG2 4.39Å; I179-V194 HydrophobicContact CD1-CG2 4.17Å; I179-V194 HydrophobicContact CG2-CG2 3.95Å
180L98.7Very high96.8Very high48 Ų4866.1 Ų66.125%0.25133%0.333SS..EExtended strand (participates in β ladder)trans-85.1114171.5-175.767.2000109.2L172 E173 T175 E190L172-L180 WeakPolarHBondContact CA-O 3.16Å; E173-L180 PolarHBondContact N-O 2.84Å; E173-L180 PolarHBondContact O-N 2.74Å; T175-L180 HydrophobicContact CG2-CB 3.71Å; L180-E190 HydrophobicContact CD1-CB 4.43Å
181A98.8Very high96.8Very high0 Ų061.7 Ų61.70%031%0.313CS..EExtended strand (participates in β ladder)trans-94.2117.3172.200000110.5L108 L169 L172 S188 I189L108-A181 HydrophobicContact CD2-CB 3.4Å; L169-A181 HydrophobicContact CD1-CB 4.04Å; L172-A181 HydrophobicContact CD2-CB 3.57Å; A181-S188 CarbonylContact O-C 3.43Å; A181-S188 WeakPolarHBondContact O-CA 3.36Å; A181-I189 PolarHBondContact N-O 2.78Å; A181-I189 PolarHBondContact O-N 3.32Å
182T98.6Very high96.8Very high59 Ų5963 Ų6336%0.36232%0.318SS..EExtended strand (participates in β ladder)trans-91.4126.6172.9-59.90000109.2Q170 G171Q170-T182 HydrophobicContact CB-CG2 4.39Å; Q170-T182 PolarHBondContact N-O 2.85Å; G171-T182 PolarHBondContact N-O 3.43Å; G171-T182 PolarHBondContact O-N 3.43Å
183L98.3Very high96.8Very high3 Ų362.4 Ų62.42%0.01631%0.314CS..EExtended strand (participates in β ladder)trans-105.7173.1177-51.5-174.4000110.6I133 L164 Q168 L169 R187 I189I133-L183 HydrophobicContact CD1-CD2 3.62Å; I133-L183 HydrophobicContact CG2-CD1 4.22Å; L164-L183 HydrophobicContact CD1-CD1 3.82Å; Q168-L183 CarbonylContact O-C 3.6Å; Q168-L183 VanDerWaalsContact O-CA 3.27Å; Q168-L183 WeakPolarHBondContact O-CA 3.36Å; L169-L183 HydrophobicContact CD1-CD2 3.95Å; L183-R187 HydrophobicContact CB-CB 4.26Å; L183-R187 PolarHBondContact N-O 2.99Å; L183-I189 HydrophobicContact CD1-CD1 3.76Å; L183-I189 HydrophobicContact CD1-CG1 4.29Å
184D94.8Very high96.9Very high26 Ų2656.4 Ų56.414%0.13929%0.286CS..G310 helixtrans-57.1157.5165.374.1-42.9000112.6S167 Q168 Q186 R187S167-D184 WeakPolarHBondContact CA-OD1 3.32Å; Q168-D184 HydrophobicContact CB-CB 4.37Å; Q168-D184 PolarHBondContact N-OD1 3.11Å; Q168-D184 VanDerWaalsContact N-OD1 3.13Å; Q168-D184 PolarHBondContact O-N 3.24Å; D184-Q186 VanDerWaalsContact C-N 3.26Å; D184-Q186 PolarHBondContact O-N 3.05Å; D184-R187 PolarHBondContact O-NE 2.88Å; D184-R187 IonicContact OD1-CZ 3.16Å; D184-R187 IonicContact OD1-NH2 3.1Å; D184-R187 PolarHBondContact OD1-NH2 3.25Å; D184-R187 IonicContact OD2-NH2 3Å
185R93.8Very high96.9Very high151 Ų15150.3 Ų50.357%0.5726%0.26SS*.G310 helixtrans59.934.1-178.8-48.6177-175.7101.3-6.5113.4K166 R187K166-R185 PolarHBondContact O-NH1 2.99Å; R185-R187 PolarHBondContact O-N 3.06Å
186Q86.4Confident96.9Very high182 Ų18248.9 Ų48.985%0.8525%0.252SS*.G310 helixtrans58.522.5173.9-65.871.630.100114D184D184-Q186 VanDerWaalsContact C-N 3.26Å; D184-Q186 PolarHBondContact O-N 3.05Å
187R94.3Very high97.1Very high80 Ų8040.9 Ų40.930%0.30221%0.211SC..  trans-82.5145.6171.9-66.5178-65.1167.41.2109.1S167 L183 D184 R185S167-R187 PolarHBondContact OG-NH1 3.48Å; S167-R187 PolarHBondContact OG-NH2 3.46Å; L183-R187 HydrophobicContact CB-CB 4.26Å; L183-R187 PolarHBondContact N-O 2.99Å; D184-R187 PolarHBondContact O-NE 2.88Å; D184-R187 IonicContact OD1-CZ 3.16Å; D184-R187 IonicContact OD1-NH2 3.1Å; D184-R187 PolarHBondContact OD1-NH2 3.25Å; D184-R187 IonicContact OD2-NH2 3Å; R185-R187 PolarHBondContact O-N 3.06Å
188S97.2Very high97.2Very high74 Ų7439.6 Ų39.652%0.51720%0.2SC..EExtended strand (participates in β ladder)trans-136.9152.5171.661.90000110.8A181A181-S188 CarbonylContact O-C 3.43Å; A181-S188 WeakPolarHBondContact O-CA 3.36Å
189I97.6Very high97.1Very high35 Ų3541.3 Ų41.318%0.17922%0.218CC..EExtended strand (participates in β ladder)trans-140127.9-178.7-49.6-179.9000107.3T131 L164 A181 L183 V191T131-I189 HydrophobicContact CG2-CD1 3.82Å; L164-I189 HydrophobicContact CD1-CD1 3.37Å; A181-I189 PolarHBondContact N-O 2.78Å; A181-I189 PolarHBondContact O-N 3.32Å; L183-I189 HydrophobicContact CD1-CD1 3.76Å; L183-I189 HydrophobicContact CD1-CG1 4.29Å; I189-V191 HydrophobicContact CG2-CG1 3.95Å
190E98.4Very high97Very high58 Ų5844.5 Ų44.527%0.27124%0.235SC..EExtended strand (participates in β ladder)trans-97128.9173.9-165.1-173.9-150.300110.6R106 T175 S177 I179 L180R106-E190 IonicContact CZ-OE2 3.57Å; R106-E190 PolarHBondContact NH1-O 3.24Å; R106-E190 IonicContact NH1-OE2 2.7Å; R106-E190 PolarHBondContact NH1-OE2 2.84Å; R106-E190 VanDerWaalsContact NH1-OE2 3.1Å; R106-E190 IonicContact NH2-OE2 2.74Å; T175-E190 PolarHBondContact OG1-OE1 2.88Å; S177-E190 WeakPolarHBondContact CB-OE1 3.39Å; S177-E190 PolarHBondContact OG-OE1 3.3Å; S177-E190 PolarHBondContact OG-OE2 3.32Å; I179-E190 WeakPolarHBondContact O-CA 3.25Å; L180-E190 HydrophobicContact CD1-CB 4.43Å
191V98.8Very high96.9Very high3 Ų348.8 Ų48.82%0.01825%0.248CC..EExtended strand (participates in β ladder)trans-136.8169.5-177-63.60000111.4R106 L108 G178 I179 I189 A193 V194R106-V191 HydrophobicContact CB-CB 4.14Å; R106-V191 HydrophobicContact CB-CG1 4.22Å; L108-V191 HydrophobicContact CB-CB 4.35Å; L108-V191 HydrophobicContact CB-CG1 3.95Å; L108-V191 HydrophobicContact CB-CG2 3.83Å; G178-V191 CarbonylContact C-O 3.23Å; G178-V191 WeakPolarHBondContact CA-O 3.27Å; I179-V191 HydrophobicContact CB-CG2 4.4Å; I179-V191 PolarHBondContact N-O 2.94Å; I179-V191 PolarHBondContact O-N 3.44Å; I189-V191 HydrophobicContact CG2-CG1 3.95Å; V191-A193 WeakPolarHBondContact CG2-O 3.34Å; V191-V194 HydrophobicContact CG2-CG2 3.65Å
192D98.8Very high96.9Very high38 Ų3849.6 Ų49.620%0.20325%0.253CS..SBendtrans-96.3-27179.7-45.8-33000111.2A104 R105 R106A104-D192 HydrophobicContact CB-CB 3.81Å; R105-D192 WeakPolarHBondContact CA-OD2 3.46Å; R105-D192 WeakPolarHBondContact CB-OD2 3.25Å; R105-D192 PolarHBondContact N-OD2 3.39Å; R106-D192 IonicContact CZ-OD1 3.98Å; R106-D192 PolarHBondContact N-OD2 3.13Å; R106-D192 IonicContact NE-OD1 3.09Å; R106-D192 PolarHBondContact NE-OD1 2.8Å; R106-D192 IonicContact NE-OD2 3.57Å; R106-D192 IonicContact NH2-OD1 2.65Å; R106-D192 PolarHBondContact NH2-OD1 2.72Å; R106-D192 PolarHBondContact O-N 3.22Å
193A98.8Very high96.9Very high0 Ų049.5 Ų49.50%025%0.248CC..EExtended strand (participates in β ladder)trans-142.8147.1175.500000111.9L86 L101 A104 R106 V107 L108 V191L86-A193 HydrophobicContact CD1-CB 4.19Å; L101-A193 HydrophobicContact CD2-CB 4.21Å; A104-A193 HydrophobicContact CB-CB 3.78Å; R106-A193 PolarHBondContact O-N 2.83Å; V107-A193 WeakPolarHBondContact CA-O 3.33Å; V107-A193 HydrophobicContact CG2-CB 4.41Å; L108-A193 PolarHBondContact N-O 3.19Å; V191-A193 WeakPolarHBondContact CG2-O 3.34Å
194V98.9Very high96.9Very high0 Ų050 Ų500%025%0.252CS..EExtended strand (participates in β ladder)trans-123.4125.9174.5-174.50000108.6M85 L86 L108 V110 L172 I179 V191M85-V194 WeakPolarHBondContact CA-O 3.29Å; M85-V194 HydrophobicContact CE-CG1 3.82Å; M85-V194 HydrophobicContact CG-CB 4.48Å; M85-V194 HydrophobicContact CG-CG1 4.05Å; L86-V194 PolarHBondContact N-O 3.36Å; L108-V194 HydrophobicContact CB-CG1 4.3Å; L108-V194 HydrophobicContact CB-CG2 4.22Å; L108-V194 HydrophobicContact CD2-CG1 4.02Å; L108-V194 HydrophobicContact CD2-CG2 4.25Å; L108-V194 HydrophobicContact CG-CG1 4.22Å; L108-V194 CarbonylContact O-C 3.31Å; L108-V194 VanDerWaalsContact O-CA 3.31Å; L108-V194 WeakPolarHBondContact O-CA 3.4Å; V110-V194 HydrophobicContact CG2-CG1 3.89Å; L172-V194 HydrophobicContact CD1-CB 4.3Å; L172-V194 HydrophobicContact CD1-CG1 4.09Å; L172-V194 HydrophobicContact CD1-CG2 4.28Å; L172-V194 HydrophobicContact CD2-CG1 4.36Å; L172-V194 HydrophobicContact CD2-CG2 3.94Å; I179-V194 HydrophobicContact CB-CG2 4.39Å; I179-V194 HydrophobicContact CD1-CG2 4.17Å; I179-V194 HydrophobicContact CG2-CG2 3.95Å; V191-V194 HydrophobicContact CG2-CG2 3.65Å
195I98.8Very high97Very high0 Ų050.4 Ų50.40%026%0.258CS..EExtended strand (participates in β ladder)trans-112.5126.2-179.6-53.3172.4000109.7L86 L88 L101 V107 L108 I109 V110 L119 F123L86-I195 CarbonylContact O-C 3.57Å; L86-I195 WeakPolarHBondContact O-CA 3.35Å; L88-I195 HydrophobicContact CD1-CD1 4.33Å; L88-I195 HydrophobicContact CD1-CG2 4.45Å; L101-I195 HydrophobicContact CD2-CD1 3.8Å; L101-I195 HydrophobicContact CD2-CG1 4.02Å; V107-I195 HydrophobicContact CG1-CD1 3.85Å; V107-I195 HydrophobicContact CG1-CG1 4.21Å; L108-I195 PolarHBondContact O-N 2.93Å; I109-I195 HydrophobicContact CG1-CD1 4.45Å; V110-I195 PolarHBondContact N-O 2.63Å; L119-I195 HydrophobicContact CD1-CG2 4.01Å; F123-I195 HydrophobicContact CE1-CD1 4.02Å; F123-I195 HydrophobicContact CE2-CD1 3.82Å; F123-I195 HydrophobicContact CZ-CD1 3.47Å; F123-I195 VanDerWaalsContact CZ-CD1 3.47Å
196A98.7Very high97.2Very high5 Ų544.2 Ų44.24%0.04124%0.236CC..EExtended strand (participates in β ladder)trans-82112.3169.100000110.4V76 M85 L86 T87V76-A196 HydrophobicContact CG1-CB 4.47Å; V76-A196 HydrophobicContact CG2-CB 4.18Å; M85-A196 HydrophobicContact CB-CB 4.46Å; M85-A196 HydrophobicContact CE-CB 3.63Å; M85-A196 HydrophobicContact SD-CB 4.43Å; L86-A196 PolarHBondContact O-N 2.8Å; T87-A196 HydrophobicContact CG2-CB 4.11Å
197A98.3Very high97.8Very high14 Ų1435.6 Ų35.612%0.11620%0.196CC..  trans-121.733.2173.100000111.3I109 V110 I115 L119 G199I109-A197 HydrophobicContact CG2-CB 4.14Å; V110-A197 CarbonylContact O-C 3.54Å; V110-A197 VanDerWaalsContact O-C 3.31Å; V110-A197 WeakPolarHBondContact O-CA 3.49Å; V110-A197 PolarHBondContact O-N 3.44Å; I115-A197 HydrophobicContact CG2-CB 4.4Å; L119-A197 HydrophobicContact CD1-CB 4.46Å; A197-G199 VanDerWaalsContact C-N 3.26Å; A197-G199 PolarHBondContact O-N 3.03Å
198T96.6Very high97.9Very high47 Ų4739.1 Ų39.129%0.28821%0.209SC..SBendtrans-87.228.6-174.439.10000114.6F75 P77 V110F75-T198 PolarHBondContact O-OG1 3.36Å; P77-T198 WeakPolarHBondContact CD-OG1 3.45Å; P77-T198 HydrophobicContact CG-CG2 4.01Å; V110-T198 HydrophobicContact CG1-CG2 3.9Å; V110-T198 WeakPolarHBondContact O-CG2 3.19Å; V110-T198 PolarHBondContact O-N 3.4Å
199G95.1Very high97.9Very high43 Ų4341.5 Ų41.544%0.44321%0.207SC..  trans92.5-177.117800000114.4F75 A197F75-G199 PolarHBondContact N-O 3.35Å; A197-G199 VanDerWaalsContact C-N 3.26Å; A197-G199 PolarHBondContact O-N 3.03Å
200L96.5Very high97.9Very high69 Ų6940.6 Ų40.636%0.36120%0.204SC..EExtended strand (participates in β ladder)trans-115.7148.6-175-62.6-177.8000111.4A72 S73 N89 P246A72-L200 HydrophobicContact CB-CB 3.92Å; A72-L200 HydrophobicContact CB-CD1 4.36Å; S73-L200 CarbonylContact O-C 3.57Å; S73-L200 WeakPolarHBondContact O-CA 3.26Å; N89-L200 VanDerWaalsContact OD1-CD2 3.23Å; N89-L200 WeakPolarHBondContact OD1-CD2 3Å; L200-P246 HydrophobicContact CD1-CB 3.99Å
201R97.2Very high97.9Very high138 Ų13840.9 Ų40.952%0.52122%0.223SC..EExtended strand (participates in β ladder)trans-115.6120.5172.1179.9-179.2-68.1157.8-6.4109.6A72 S73 E203A72-R201 CarbonylContact C-O 3.59Å; A72-R201 WeakPolarHBondContact CA-O 3.5Å; A72-R201 WeakPolarHBondContact CB-O 3.41Å; S73-R201 PolarHBondContact N-O 2.94Å; S73-R201 PolarHBondContact O-N 3.36Å; R201-E203 PolarHBondContact O-N 3.25Å
202P98.5Very high97.9Very high16 Ų1641.4 Ų41.410%0.10423%0.226CC..EExtended strand (participates in β ladder)trans-52.4132.5173.6-33.241.6000113.4T204 R216 D236 V244P202-T204 HydrophobicContact CB-CG2 4Å; P202-T204 PolarHBondContact O-N 3.16Å; P202-R216 WeakPolarHBondContact CB-O 3.33Å; P202-R216 VanDerWaalsContact CG-O 3.25Å; P202-R216 WeakPolarHBondContact CG-O 3.41Å; P202-D236 WeakPolarHBondContact CG-O 3.35Å; P202-V244 HydrophobicContact CG-CB 4.44Å; P202-V244 HydrophobicContact CG-CG1 3.74Å; P202-V244 HydrophobicContact CG-CG2 3.9Å
203E98.1Very high97.9Very high57 Ų5743.3 Ų43.327%0.26624%0.239SC..  trans-79.786.8177-73.9-55.6142.900111.1T70 G71 S73 R201T70-E203 WeakPolarHBondContact O-CB 3.47Å; T70-E203 PolarHBondContact OG1-O 2.9Å; G71-E203 WeakPolarHBondContact O-CB 3.47Å; G71-E203 PolarHBondContact O-N 3.44Å; S73-E203 WeakPolarHBondContact CB-OE1 3.29Å; S73-E203 PolarHBondContact OG-OE1 2.68Å; R201-E203 PolarHBondContact O-N 3.25Å
204T98.4Very high97.9Very high15 Ų1545.4 Ų45.49%0.09225%0.25CC..  trans-100.61.8-17353.40000114.1P202 L206 A207 R208 I214 V218P202-T204 HydrophobicContact CB-CG2 4Å; P202-T204 PolarHBondContact O-N 3.16Å; T204-L206 PolarHBondContact O-N 3.06Å; T204-A207 PolarHBondContact O-N 3.46Å; T204-R208 WeakPolarHBondContact O-CB 3.24Å; T204-R208 PolarHBondContact O-N 2.89Å; T204-R208 PolarHBondContact OG1-NH2 2.7Å; T204-I214 HydrophobicContact CG2-CD1 4.2Å; T204-I214 HydrophobicContact CG2-CG2 3.91Å; T204-V218 HydrophobicContact CG2-CG2 4.15Å
205A97.8Very high97.8Very high33 Ų3350.4 Ų50.427%0.27328%0.277SS..Hα-helixtrans-63-42.9-169.700000113.4R209A205-R209 PolarHBondContact O-N 3.21Å; A205-R209 VanDerWaalsContact O-N 3.15Å; A205-R209 PolarHBondContact O-NH1 3.24Å
206L97.7Very high97.7Very high21 Ų2159.1 Ų59.111%0.1131%0.309CS..Hα-helixtrans-65.3-47.6176.7-82.3171.2000111.8V44 I47 T70 T204 R208 R209 A210V44-L206 HydrophobicContact CB-CD1 4.05Å; V44-L206 HydrophobicContact CG1-CD1 4.05Å; V44-L206 HydrophobicContact CG1-CD2 3.93Å; V44-L206 WeakPolarHBondContact O-CD2 3.37Å; I47-L206 HydrophobicContact CD1-CB 4.04Å; I47-L206 HydrophobicContact CD1-CD2 4.47Å; I47-L206 HydrophobicContact CG1-CD2 4.28Å; T70-L206 HydrophobicContact CG2-CD1 4.07Å; T204-L206 PolarHBondContact O-N 3.06Å; L206-R208 VanDerWaalsContact C-N 3.29Å; L206-R208 PolarHBondContact O-N 2.85Å; L206-R209 PolarHBondContact O-N 3.33Å; L206-R209 VanDerWaalsContact O-N 3.16Å; L206-A210 WeakPolarHBondContact O-CB 3.37Å; L206-A210 PolarHBondContact O-N 3.39Å
207A98.5Very high97.7Very high1 Ų158.9 Ų58.91%0.00831%0.307CS..Hα-helixtrans-59.7-39.6177.900000112.2L68 T204 A210 G211 L212 I214 V218L68-A207 HydrophobicContact CD1-CB 3.7Å; T204-A207 PolarHBondContact O-N 3.46Å; A207-A210 PolarHBondContact O-N 3.31Å; A207-G211 PolarHBondContact O-N 3.15Å; A207-L212 HydrophobicContact CB-CB 4.22Å; A207-L212 HydrophobicContact CB-CD1 3.89Å; A207-L212 HydrophobicContact CB-CG 4.46Å; A207-L212 WeakPolarHBondContact O-CB 3.38Å; A207-L212 PolarHBondContact O-N 2.82Å; A207-I214 HydrophobicContact CB-CD1 3.61Å; A207-V218 HydrophobicContact CB-CB 4.44Å; A207-V218 HydrophobicContact CB-CG1 4.07Å; A207-V218 HydrophobicContact CB-CG2 3.52Å
208R98.1Very high97.7Very high154 Ų15458.2 Ų58.258%0.58130%0.302SS*.Hα-helixtrans-62.1-45.4174.1-173.1-176.8-60.4119.59.8112.2T204 L206 A210 G211 I214T204-R208 WeakPolarHBondContact O-CB 3.24Å; T204-R208 PolarHBondContact O-N 2.89Å; T204-R208 PolarHBondContact OG1-NH2 2.7Å; L206-R208 VanDerWaalsContact C-N 3.29Å; L206-R208 PolarHBondContact O-N 2.85Å; R208-A210 VanDerWaalsContact C-N 3.28Å; R208-A210 PolarHBondContact O-N 3.29Å; R208-G211 PolarHBondContact O-N 2.95Å; R208-G211 VanDerWaalsContact O-N 3.14Å; R208-I214 HydrophobicContact CB-CG1 4.46Å
209R96.6Very high97.8Very high125 Ų12557.4 Ų57.447%0.47230%0.298SS..Hα-helixtrans-64.9-34.3177.4-74.1-169.2-67.6-80.82.3112.3T45 A205 L206 G211T45-R209 PolarHBondContact O-NE 2.85Å; T45-R209 PolarHBondContact O-NH2 2.98Å; A205-R209 PolarHBondContact O-N 3.21Å; A205-R209 VanDerWaalsContact O-N 3.15Å; A205-R209 PolarHBondContact O-NH1 3.24Å; L206-R209 PolarHBondContact O-N 3.33Å; L206-R209 VanDerWaalsContact O-N 3.16Å; R209-G211 PolarHBondContact O-N 3.09Å
210A97.9Very high98Very high15 Ų1556.1 Ų56.112%0.12428%0.282CS..THydrogen-bonded Turntrans-72.4-0.5174.500000114.3I47 L206 A207 R208 L212I47-A210 HydrophobicContact CB-CB 3.83Å; I47-A210 HydrophobicContact CD1-CB 4.12Å; I47-A210 HydrophobicContact CG2-CB 4.14Å; L206-A210 WeakPolarHBondContact O-CB 3.37Å; L206-A210 PolarHBondContact O-N 3.39Å; A207-A210 PolarHBondContact O-N 3.31Å; R208-A210 VanDerWaalsContact C-N 3.28Å; R208-A210 PolarHBondContact O-N 3.29Å; A210-L212 VanDerWaalsContact C-N 3.35Å; A210-L212 HydrophobicContact CB-CD1 4.35Å; A210-L212 HydrophobicContact CB-CG 4.03Å; A210-L212 PolarHBondContact O-N 3.21Å
211G97.9Very high98Very high65 Ų6555.8 Ų55.867%0.6728%0.28SS*.THydrogen-bonded Turntrans73.620.5-178.800000114.7A207 R208 R209A207-G211 PolarHBondContact O-N 3.15Å; R208-G211 PolarHBondContact O-N 2.95Å; R208-G211 VanDerWaalsContact O-N 3.14Å; R209-G211 PolarHBondContact O-N 3.09Å
212L98.6Very high98Very high13 Ų1351.3 Ų51.37%0.06827%0.27CS..  trans-79.4152.6-179.9-54.5179.6000112.1L68 A207 A210 I214 V218 T226 S227 N228 I231L68-L212 HydrophobicContact CD1-CD1 3.78Å; A207-L212 HydrophobicContact CB-CB 4.22Å; A207-L212 HydrophobicContact CB-CD1 3.89Å; A207-L212 HydrophobicContact CB-CG 4.46Å; A207-L212 WeakPolarHBondContact O-CB 3.38Å; A207-L212 PolarHBondContact O-N 2.82Å; A210-L212 VanDerWaalsContact C-N 3.35Å; A210-L212 HydrophobicContact CB-CD1 4.35Å; A210-L212 HydrophobicContact CB-CG 4.03Å; A210-L212 PolarHBondContact O-N 3.21Å; L212-I214 PolarHBondContact O-N 2.82Å; L212-V218 HydrophobicContact CD1-CG1 4.48Å; L212-T226 HydrophobicContact CD1-CG2 4.14Å; L212-S227 WeakPolarHBondContact CA-OG 3.21Å; L212-N228 HydrophobicContact CD2-CB 3.56Å; L212-I231 HydrophobicContact CD1-CB 4.44Å; L212-I231 HydrophobicContact CD1-CD1 4.37Å; L212-I231 HydrophobicContact CD1-CG2 3.84Å; L212-I231 HydrophobicContact CD2-CD1 4.21Å
213T98.7Very high98Very high78 Ų7853.5 Ų53.548%0.47928%0.277SS..  trans-67121.6173.9-55.10000110.9C219 S227T213-C219 HydrophobicContact CG2-CB 4.1Å; T213-C219 WeakPolarHBondContact O-CB 3.36Å; T213-C219 PolarHBondContact O-N 2.8Å; T213-S227 PolarHBondContact N-OG 3.41Å; T213-S227 WeakPolarHBondContact OG1-CB 3.2Å
214I98.4Very high98Very high44 Ų4450.8 Ų50.823%0.22626%0.264CS..BIsolated β-bridgetrans-121.7141.8178.6-57.1-56.5000109.6T204 A207 R208 L212 G217 V218T204-I214 HydrophobicContact CG2-CD1 4.2Å; T204-I214 HydrophobicContact CG2-CG2 3.91Å; A207-I214 HydrophobicContact CB-CD1 3.61Å; R208-I214 HydrophobicContact CB-CG1 4.46Å; L212-I214 PolarHBondContact O-N 2.82Å; I214-G217 WeakPolarHBondContact CA-O 3.44Å; I214-V218 HydrophobicContact CD1-CB 4.08Å; I214-V218 HydrophobicContact CD1-CG1 4.19Å; I214-V218 HydrophobicContact CD1-CG2 3.8Å
215N97.6Very high98Very high106 Ų10652.3 Ų52.357%0.56727%0.27SS*.SBendtrans-127.6-100.9164.1174.236.7000109.7G217 E239N215-G217 PolarHBondContact N-O 3.48Å; N215-E239 VanDerWaalsContact CB-OE2 3.32Å; N215-E239 WeakPolarHBondContact CB-OE2 3.35Å; N215-E239 PolarHBondContact ND2-OE1 3.44Å; N215-E239 PolarHBondContact ND2-OE2 2.99Å
216R96Very high98Very high182 Ų18251.4 Ų51.469%0.68726%0.261SS*.SBendtrans-79.4-36.7169.3-63.4179.2177.7-176.9-0.1110.4P202 E239 V244P202-R216 WeakPolarHBondContact CB-O 3.33Å; P202-R216 VanDerWaalsContact CG-O 3.25Å; P202-R216 WeakPolarHBondContact CG-O 3.41Å; R216-E239 WeakPolarHBondContact CA-OE2 3.48Å; R216-E239 WeakPolarHBondContact CB-OE2 3.47Å; R216-E239 PolarHBondContact N-OE2 2.64Å; R216-V244 HydrophobicContact CB-CG2 3.88Å
217G98.5Very high98.1Very high0 Ų053.6 Ų53.60%028%0.278CS..SBendtrans-129.6-167.9171.900000112.2I214 N215 C219 C237 E239I214-G217 WeakPolarHBondContact CA-O 3.44Å; N215-G217 PolarHBondContact N-O 3.48Å; G217-C219 PolarHBondContact O-N 3.33Å; G217-C237 CarbonylContact C-O 3.47Å; G217-C237 WeakPolarHBondContact CA-O 3.4Å; G217-E239 PolarHBondContact N-OE2 3.21Å
218V98.8Very high98.1Very high0 Ų055.3 Ų55.30%029%0.287CS..EExtended strand (participates in β ladder)trans-72.5111.6169-172.70000108.1T204 A207 L212 I214 V220 T226 A233 C237 E239T204-V218 HydrophobicContact CG2-CG2 4.15Å; A207-V218 HydrophobicContact CB-CB 4.44Å; A207-V218 HydrophobicContact CB-CG1 4.07Å; A207-V218 HydrophobicContact CB-CG2 3.52Å; L212-V218 HydrophobicContact CD1-CG1 4.48Å; I214-V218 HydrophobicContact CD1-CB 4.08Å; I214-V218 HydrophobicContact CD1-CG1 4.19Å; I214-V218 HydrophobicContact CD1-CG2 3.8Å; V218-V220 PolarHBondContact O-N 3.48Å; V218-T226 HydrophobicContact CG1-CG2 3.67Å; V218-A233 HydrophobicContact CB-CB 3.93Å; V218-A233 HydrophobicContact CG1-CB 3.84Å; V218-C237 PolarHBondContact N-O 2.93Å; V218-E239 PolarHBondContact O-N 3.37Å
219C98.8Very high98Very high30 Ų3052.5 Ų52.520%0.20329%0.287CS..EExtended strand (participates in β ladder)trans-65.8128.8-177.4-620000110T213 G217T213-C219 HydrophobicContact CG2-CB 4.1Å; T213-C219 WeakPolarHBondContact O-CB 3.36Å; T213-C219 PolarHBondContact O-N 2.8Å; G217-C219 PolarHBondContact O-N 3.33Å
220V98.7Very high98Very high17 Ų1747.4 Ų47.410%0.10327%0.269CS..EExtended strand (participates in β ladder)trans-129.1153.6175.1-63.70000112.2V218 L224 Q225 T226 A233 A238 E239 I240V218-V220 PolarHBondContact O-N 3.48Å; V220-L224 WeakPolarHBondContact CG1-O 3.26Å; V220-L224 HydrophobicContact CG2-CD2 3.98Å; V220-Q225 CarbonylContact C-O 3.57Å; V220-Q225 WeakPolarHBondContact CA-O 3.47Å; V220-Q225 WeakPolarHBondContact CB-O 3.42Å; V220-T226 HydrophobicContact CG1-CG2 4.02Å; V220-A233 HydrophobicContact CG1-CB 3.75Å; V220-A238 HydrophobicContact CG2-CB 4.49Å; V220-E239 WeakPolarHBondContact CG2-O 3.35Å; V220-E239 PolarHBondContact N-O 3.35Å; V220-E239 VanDerWaalsContact N-O 3.15Å; V220-I240 HydrophobicContact CG2-CB 4.47Å; V220-I240 HydrophobicContact CG2-CG1 3.74Å
221D97.8Very high98.1Very high61 Ų6146.7 Ų46.733%0.32626%0.263SS..  trans-81.2-173.3172.674.70.1000112.5Y223 L224 Q225D221-Y223 PolarHBondContact O-N 2.89Å; D221-Y223 VanDerWaalsContact O-N 3.08Å; D221-Y223 VanDerWaalsContact OD1-CA 3.3Å; D221-Y223 WeakPolarHBondContact OD1-CA 3.34Å; D221-Y223 WeakPolarHBondContact OD1-CB 3.48Å; D221-Y223 PolarHBondContact OD1-N 2.76Å; D221-L224 PolarHBondContact O-N 3.39Å; D221-L224 VanDerWaalsContact O-N 3.09Å; D221-L224 PolarHBondContact OD1-N 2.63Å; D221-L224 VanDerWaalsContact OD1-N 3.14Å; D221-Q225 PolarHBondContact N-O 2.95Å; D221-Q225 WeakPolarHBondContact OD1-CB 3.34Å; D221-Q225 PolarHBondContact OD1-N 3.17Å
222S96.6Very high98.1Very high45 Ų4544.4 Ų44.432%0.31524%0.235SC..THydrogen-bonded Turntrans-64.3-12178.555.10000114P268 L269S222-P268 CarbonylContact O-C 3.58Å; S222-P268 WeakPolarHBondContact O-CA 3.26Å; S222-L269 PolarHBondContact O-N 3.22Å
223Y97.7Very high98.1Very high61 Ų6143.8 Ų43.824%0.23923%0.232CC..THydrogen-bonded Turntrans-103.87.4179.1-53.9-78.2000112.5D221 Q225 N261 N266 T267 P268D221-Y223 PolarHBondContact O-N 2.89Å; D221-Y223 VanDerWaalsContact O-N 3.08Å; D221-Y223 VanDerWaalsContact OD1-CA 3.3Å; D221-Y223 WeakPolarHBondContact OD1-CA 3.34Å; D221-Y223 WeakPolarHBondContact OD1-CB 3.48Å; D221-Y223 PolarHBondContact OD1-N 2.76Å; Y223-Q225 PolarHBondContact O-N 2.9Å; Y223-N261 PolarHBondContact O-ND2 2.78Å; Y223-N266 WeakPolarHBondContact CD1-OD1 3.48Å; Y223-N266 HydrophobicContact CE1-CB 4.44Å; Y223-N266 WeakPolarHBondContact CE1-OD1 3.35Å; Y223-N266 VanDerWaalsContact CZ-OD1 3.24Å; Y223-T267 WeakPolarHBondContact CD1-O 3.22Å; Y223-P268 HydrophobicContact CE1-CB 3.99Å; Y223-P268 HydrophobicContact CE1-CG 4.47Å
224L98.5Very high98.1Very high0 Ų041.1 Ų41.10%021%0.214CC..SBendtrans68.316.3-176.3-58.7166.9000113.8V220 D221 Y232 A233 I240 S254 L258 L269V220-L224 WeakPolarHBondContact CG1-O 3.26Å; V220-L224 HydrophobicContact CG2-CD2 3.98Å; D221-L224 PolarHBondContact O-N 3.39Å; D221-L224 VanDerWaalsContact O-N 3.09Å; D221-L224 PolarHBondContact OD1-N 2.63Å; D221-L224 VanDerWaalsContact OD1-N 3.14Å; L224-Y232 CarbonylContact O-C 3.51Å; L224-Y232 WeakPolarHBondContact O-CA 3.42Å; L224-Y232 VanDerWaalsContact O-CB 3.27Å; L224-Y232 WeakPolarHBondContact O-CB 3.45Å; L224-Y232 WeakPolarHBondContact O-CD1 3.44Å; L224-A233 PolarHBondContact O-N 3.43Å; L224-I240 HydrophobicContact CD2-CD1 3.77Å; L224-I240 HydrophobicContact CD2-CG1 3.94Å; L224-S254 VanDerWaalsContact CD1-O 3.22Å; L224-S254 WeakPolarHBondContact CD1-O 3.39Å; L224-L258 HydrophobicContact CB-CD1 4.32Å; L224-L258 HydrophobicContact CD1-CB 3.84Å; L224-L269 HydrophobicContact CD1-CD2 4.43Å; L224-L269 HydrophobicContact CD2-CD2 3.82Å; L224-L269 HydrophobicContact CG-CD2 4.32Å
225Q98.3Very high98.1Very high48 Ų4839.6 Ų39.622%0.22421%0.209CC..BIsolated β-bridgetrans-82.8137.3178.8-165.2173.720.500109.8V220 D221 Y223 T229 Y232V220-Q225 CarbonylContact C-O 3.57Å; V220-Q225 WeakPolarHBondContact CA-O 3.47Å; V220-Q225 WeakPolarHBondContact CB-O 3.42Å; D221-Q225 PolarHBondContact N-O 2.95Å; D221-Q225 WeakPolarHBondContact OD1-CB 3.34Å; D221-Q225 PolarHBondContact OD1-N 3.17Å; Y223-Q225 PolarHBondContact O-N 2.9Å; Q225-T229 VanDerWaalsContact NE2-C 3.3Å; Q225-T229 PolarHBondContact NE2-O 3.27Å; Q225-Y232 HydrophobicContact CB-CD1 3.9Å; Q225-Y232 HydrophobicContact CB-CE1 3.74Å; Q225-Y232 HydrophobicContact CG-CD1 4.29Å; Q225-Y232 HydrophobicContact CG-CE1 3.92Å
226T98.7Very high98.1Very high14 Ų1435.2 Ų35.29%0.08619%0.186CC..  trans-80.6-171.8175.571.40000110.8L212 V218 V220 N228 I231 A233L212-T226 HydrophobicContact CD1-CG2 4.14Å; V218-T226 HydrophobicContact CG1-CG2 3.67Å; V220-T226 HydrophobicContact CG1-CG2 4.02Å; T226-N228 PolarHBondContact O-N 3.47Å; T226-N228 VanDerWaalsContact O-N 3.14Å; T226-N228 PolarHBondContact OG1-N 3.38Å; T226-N228 PolarHBondContact OG1-O 2.78Å; T226-I231 WeakPolarHBondContact CB-O 3.04Å; T226-I231 HydrophobicContact CG2-CG2 4.15Å; T226-I231 WeakPolarHBondContact CG2-O 3.39Å; T226-I231 PolarHBondContact N-O 2.67Å; T226-I231 PolarHBondContact OG1-O 3.1Å; T226-A233 HydrophobicContact CG2-CB 4.01Å
227S98.3Very high98.2Very high67 Ų6726.5 Ų26.547%0.46915%0.153SC..SBendtrans-65.5-8.6172.260.90000114.4L212 T213L212-S227 WeakPolarHBondContact CA-OG 3.21Å; T213-S227 PolarHBondContact N-OG 3.41Å; T213-S227 WeakPolarHBondContact OG1-CB 3.2Å
228N98.6Very high98.2Very high37 Ų3726.6 Ų26.620%0.19815%0.154CC..SBendtrans-105136.2170.3-178.8-68.4000110.2L212 T226 D230 I231L212-N228 HydrophobicContact CD2-CB 3.56Å; T226-N228 PolarHBondContact O-N 3.47Å; T226-N228 VanDerWaalsContact O-N 3.14Å; T226-N228 PolarHBondContact OG1-N 3.38Å; T226-N228 PolarHBondContact OG1-O 2.78Å; N228-D230 PolarHBondContact O-N 3.08Å; N228-D230 VanDerWaalsContact O-N 3.15Å; N228-D230 PolarHBondContact OD1-N 3.48Å; N228-I231 HydrophobicContact CB-CB 4.16Å; N228-I231 HydrophobicContact CB-CD1 4.03Å; N228-I231 HydrophobicContact CB-CG1 4.09Å; N228-I231 PolarHBondContact O-N 2.82Å; N228-I231 VanDerWaalsContact O-O 3.13Å
229T96.4Very high98.2Very high94 Ų9427.2 Ų27.258%0.57716%0.157SC*.THydrogen-bonded Turntrans-66.7-18-172.852.70000114.9K65 Q225K65-T229 PolarHBondContact NZ-O 3.03Å; Q225-T229 VanDerWaalsContact NE2-C 3.3Å; Q225-T229 PolarHBondContact NE2-O 3.27Å
230D97.9Very high98.1Very high18 Ų1826.2 Ų26.210%0.09615%0.149CC..THydrogen-bonded Turntrans-110.71.5-178.1-61.1-43.9000112.8R52 K65 L66 N228R52-D230 IonicContact CZ-OD2 2.7Å; R52-D230 IonicContact NE-OD2 2.68Å; R52-D230 PolarHBondContact NE-OD2 3.07Å; R52-D230 VanDerWaalsContact NE-OD2 3.13Å; R52-D230 IonicContact NH2-OD1 3.3Å; R52-D230 IonicContact NH2-OD2 3.13Å; R52-D230 PolarHBondContact NH2-OD2 2.99Å; K65-D230 WeakPolarHBondContact CA-O 3.48Å; K65-D230 HydrophobicContact CD-CB 4.24Å; K65-D230 IonicContact NZ-OD1 3.94Å; K65-D230 PolarHBondContact NZ-OD1 2.89Å; L66-D230 PolarHBondContact N-O 2.87Å; N228-D230 PolarHBondContact O-N 3.08Å; N228-D230 VanDerWaalsContact O-N 3.15Å; N228-D230 PolarHBondContact OD1-N 3.48Å
231I98.7Very high97.7Very high0 Ų031.2 Ų31.20%018%0.175CC..EExtended strand (participates in β ladder)trans-118.4130.2-179.3-51.9175.6000110.2I47 A49 L66 L68 L212 T226 N228I47-I231 HydrophobicContact CG2-CD1 4.23Å; A49-I231 HydrophobicContact CB-CD1 4Å; L66-I231 HydrophobicContact CB-CG1 4.18Å; L66-I231 HydrophobicContact CB-CG2 4.4Å; L66-I231 HydrophobicContact CD2-CD1 4.31Å; L66-I231 HydrophobicContact CD2-CG1 4.26Å; L66-I231 HydrophobicContact CD2-CG2 4.26Å; L66-I231 HydrophobicContact CG-CG2 4.35Å; L66-I231 CarbonylContact O-C 3.57Å; L66-I231 WeakPolarHBondContact O-CA 3.45Å; L68-I231 HydrophobicContact CD1-CG2 4.07Å; L68-I231 HydrophobicContact CG-CG2 3.93Å; L212-I231 HydrophobicContact CD1-CB 4.44Å; L212-I231 HydrophobicContact CD1-CD1 4.37Å; L212-I231 HydrophobicContact CD1-CG2 3.84Å; L212-I231 HydrophobicContact CD2-CD1 4.21Å; T226-I231 WeakPolarHBondContact CB-O 3.04Å; T226-I231 HydrophobicContact CG2-CG2 4.15Å; T226-I231 WeakPolarHBondContact CG2-O 3.39Å; T226-I231 PolarHBondContact N-O 2.67Å; T226-I231 PolarHBondContact OG1-O 3.1Å; N228-I231 HydrophobicContact CB-CB 4.16Å; N228-I231 HydrophobicContact CB-CD1 4.03Å; N228-I231 HydrophobicContact CB-CG1 4.09Å; N228-I231 PolarHBondContact O-N 2.82Å; N228-I231 VanDerWaalsContact O-O 3.13Å
232Y98.8Very high97.4Very high18 Ų1830.3 Ų30.37%0.07118%0.18CC..EExtended strand (participates in β ladder)trans-118.4161.4178.4-60.7-100.4000109.8K65 L66 L68 L224 Q225 L258 L262K65-Y232 HydrophobicContact CD-CE2 4.12Å; L66-Y232 PolarHBondContact O-N 2.9Å; L68-Y232 PolarHBondContact N-O 2.95Å; L224-Y232 CarbonylContact O-C 3.51Å; L224-Y232 WeakPolarHBondContact O-CA 3.42Å; L224-Y232 VanDerWaalsContact O-CB 3.27Å; L224-Y232 WeakPolarHBondContact O-CB 3.45Å; L224-Y232 WeakPolarHBondContact O-CD1 3.44Å; Q225-Y232 HydrophobicContact CB-CD1 3.9Å; Q225-Y232 HydrophobicContact CB-CE1 3.74Å; Q225-Y232 HydrophobicContact CG-CD1 4.29Å; Q225-Y232 HydrophobicContact CG-CE1 3.92Å; Y232-L258 HydrophobicContact CD1-CD1 3.28Å; Y232-L258 HydrophobicContact CD2-CD1 4.41Å; Y232-L258 HydrophobicContact CE1-CD1 3.98Å; Y232-L258 HydrophobicContact CG-CD1 3.55Å; Y232-L262 HydrophobicContact CD2-CD2 3.84Å; Y232-L262 HydrophobicContact CE2-CD2 3.77Å; Y232-L262 HydrophobicContact CG-CD2 4.47Å
233A98.8Very high97.3Very high0 Ų033.7 Ų33.70%019%0.191CC..EExtended strand (participates in β ladder)trans-139.2143.6171.300000111.6L68 V218 V220 L224 T226 A238L68-A233 HydrophobicContact CB-CB 4.07Å; L68-A233 VanDerWaalsContact O-CA 3.28Å; L68-A233 WeakPolarHBondContact O-CA 3.49Å; V218-A233 HydrophobicContact CB-CB 3.93Å; V218-A233 HydrophobicContact CG1-CB 3.84Å; V220-A233 HydrophobicContact CG1-CB 3.75Å; L224-A233 PolarHBondContact O-N 3.43Å; T226-A233 HydrophobicContact CG2-CB 4.01Å; A233-A238 HydrophobicContact CB-CB 4.12Å
234L98.5Very high97.2Very high22 Ų2232.8 Ų32.812%0.11519%0.192CC..  trans-143.5164173.565.370.3000112.7V67 L68 A69 C237 A255 L258V67-L234 HydrophobicContact CG1-CD2 4.36Å; V67-L234 HydrophobicContact CG1-CG 4.14Å; L68-L234 PolarHBondContact O-N 2.76Å; A69-L234 HydrophobicContact CB-CD1 3.92Å; L234-C237 PolarHBondContact O-SG 3.42Å; L234-A255 HydrophobicContact CD2-CB 4.08Å; L234-L258 HydrophobicContact CD2-CB 4.33Å; L234-L258 HydrophobicContact CD2-CD2 3.62Å; L234-L258 HydrophobicContact CG-CD2 4.25Å
235G97.7Very high97Very high11 Ų1134.2 Ų34.211%0.11320%0.199CC..G310 helixtrans71.3-153.3179.300000114.5C237 A238G235-C237 PolarHBondContact O-N 2.73Å; G235-A238 WeakPolarHBondContact O-CB 3.41Å; G235-A238 PolarHBondContact O-N 3.33Å
236D97.6Very high96.7Very high14 Ų1434.5 Ų34.58%0.07521%0.205CC..G310 helixtrans-62-18.8-165.8-57.7-12.3000113.8K6 A72 P202 P246K6-D236 IonicContact NZ-OD2 2.78Å; A72-D236 HydrophobicContact CB-CB 3.57Å; P202-D236 WeakPolarHBondContact CG-O 3.35Å; D236-P246 WeakPolarHBondContact OD1-CA 3.31Å
237C98.5Very high96.4Very high0 Ų037.1 Ų37.10%022%0.216CC..G310 helixtrans-79.5-22.7174.966.50000113.2L68 T70 G71 G217 V218 L234 G235L68-C237 PolarHBondContact O-SG 2.91Å; L68-C237 VanDerWaalsContact O-SG 3.42Å; T70-C237 VanDerWaalsContact OG1-CB 3.28Å; T70-C237 WeakPolarHBondContact OG1-CB 3.23Å; G71-C237 WeakPolarHBondContact O-CA 3.24Å; G71-C237 VanDerWaalsContact O-CB 3.28Å; G71-C237 WeakPolarHBondContact O-CB 3.34Å; G71-C237 PolarHBondContact O-N 3.3Å; G217-C237 CarbonylContact C-O 3.47Å; G217-C237 WeakPolarHBondContact CA-O 3.4Å; V218-C237 PolarHBondContact N-O 2.93Å; L234-C237 PolarHBondContact O-SG 3.42Å; G235-C237 PolarHBondContact O-N 2.73Å
238A98.7Very high96.2Very high2 Ų237.2 Ų37.22%0.01721%0.21CC..EExtended strand (participates in β ladder)trans-86.8141.1-171.400000112.3V220 A233 G235 I240V220-A238 HydrophobicContact CG2-CB 4.49Å; A233-A238 HydrophobicContact CB-CB 4.12Å; G235-A238 WeakPolarHBondContact O-CB 3.41Å; G235-A238 PolarHBondContact O-N 3.33Å; A238-I240 HydrophobicContact CB-CG1 4.37Å
239E98.6Very high95.9Very high13 Ų1339.2 Ų39.26%0.06122%0.218CC..EExtended strand (participates in β ladder)trans-105.7103.5170-178.5173.414800108.9N215 R216 G217 V218 V220 G242 Q243 V244N215-E239 VanDerWaalsContact CB-OE2 3.32Å; N215-E239 WeakPolarHBondContact CB-OE2 3.35Å; N215-E239 PolarHBondContact ND2-OE1 3.44Å; N215-E239 PolarHBondContact ND2-OE2 2.99Å; R216-E239 WeakPolarHBondContact CA-OE2 3.48Å; R216-E239 WeakPolarHBondContact CB-OE2 3.47Å; R216-E239 PolarHBondContact N-OE2 2.64Å; G217-E239 PolarHBondContact N-OE2 3.21Å; V218-E239 PolarHBondContact O-N 3.37Å; V220-E239 WeakPolarHBondContact CG2-O 3.35Å; V220-E239 PolarHBondContact N-O 3.35Å; V220-E239 VanDerWaalsContact N-O 3.15Å; E239-G242 WeakPolarHBondContact OE1-CA 3.24Å; E239-Q243 CarbonylContact C-O 3.53Å; E239-Q243 WeakPolarHBondContact CA-O 3.47Å; E239-V244 HydrophobicContact CB-CG2 4.4Å
240I96.8Very high95.9Very high9 Ų934.9 Ų34.95%0.04619%0.192CC..EExtended strand (participates in β ladder)trans-101.6121.1-176.7-58.6168.6000107.5V220 L224 A238 G242 Q243 L269V220-I240 HydrophobicContact CG2-CB 4.47Å; V220-I240 HydrophobicContact CG2-CG1 3.74Å; L224-I240 HydrophobicContact CD2-CD1 3.77Å; L224-I240 HydrophobicContact CD2-CG1 3.94Å; A238-I240 HydrophobicContact CB-CG1 4.37Å; I240-G242 PolarHBondContact O-N 3.06Å; I240-Q243 PolarHBondContact N-O 3.16Å; I240-Q243 PolarHBondContact O-N 3.07Å; I240-L269 HydrophobicContact CD1-CD2 3.93Å; I240-L269 HydrophobicContact CG2-CD2 4.03Å
241N90.3Very high95.8Very high122 Ų12236.2 Ų36.265%0.65220%0.199SC*.THydrogen-bonded Turntrans52.339.6-178.2-58.7-30.3000113Q243N241-Q243 VanDerWaalsContact C-N 3.26Å; N241-Q243 PolarHBondContact O-N 2.53Å
242G91.7Very high95.7Very high42 Ų4241.9 Ų41.943%0.43323%0.225SC..THydrogen-bonded Turntrans76.17.6-179.200000115E239 I240E239-G242 WeakPolarHBondContact OE1-CA 3.24Å; I240-G242 PolarHBondContact O-N 3.06Å
243Q93.6Very high95.6Very high116 Ų11643 Ų4354%0.54223%0.232SC..EExtended strand (participates in β ladder)trans-121.7137.4-177.8-60-174.80.500111.7E239 I240 N241 L245E239-Q243 CarbonylContact C-O 3.53Å; E239-Q243 WeakPolarHBondContact CA-O 3.47Å; I240-Q243 PolarHBondContact N-O 3.16Å; I240-Q243 PolarHBondContact O-N 3.07Å; N241-Q243 VanDerWaalsContact C-N 3.26Å; N241-Q243 PolarHBondContact O-N 2.53Å; Q243-L245 HydrophobicContact CB-CD2 4.16Å; Q243-L245 HydrophobicContact CB-CG 4.23Å
244V95.7Very high95.6Very high41 Ų4143.1 Ų43.125%0.24823%0.233CC..EExtended strand (participates in β ladder)trans-93.6124.2164.9177.60000106.7P202 R216 E239 P246P202-V244 HydrophobicContact CG-CB 4.44Å; P202-V244 HydrophobicContact CG-CG1 3.74Å; P202-V244 HydrophobicContact CG-CG2 3.9Å; R216-V244 HydrophobicContact CB-CG2 3.88Å; E239-V244 HydrophobicContact CB-CG2 4.4Å; V244-P246 VanDerWaalsContact O-CD 3.26Å; V244-P246 WeakPolarHBondContact O-CD 3.45Å
245L94Very high95.6Very high30 Ų3044.1 Ų44.116%0.15724%0.244CC..  trans-118.879.5-172.2-63.1172.3000109.9Q243 F247 P250 L271Q243-L245 HydrophobicContact CB-CD2 4.16Å; Q243-L245 HydrophobicContact CB-CG 4.23Å; L245-F247 PolarHBondContact O-N 2.96Å; L245-P250 HydrophobicContact CB-CB 4.04Å; L245-P250 HydrophobicContact CB-CG 3.9Å; L245-P250 HydrophobicContact CD1-CB 4.39Å; L245-P250 HydrophobicContact CD1-CG 4.42Å; L245-L271 HydrophobicContact CD1-CD1 3.48Å; L245-L271 VanDerWaalsContact CD1-CD1 3.48Å
246P93.1Very high95.6Very high54 Ų5448.9 Ų48.935%0.35127%0.265SS..  trans-77.859.1-173.434.2-36.8000112.2L200 D236 V244L200-P246 HydrophobicContact CD1-CB 3.99Å; D236-P246 WeakPolarHBondContact OD1-CA 3.31Å; V244-P246 VanDerWaalsContact O-CD 3.26Å; V244-P246 WeakPolarHBondContact O-CD 3.45Å
247F93.3Very high95.6Very high70 Ų7049.2 Ų49.231%0.30727%0.267SS..SBendtrans-133.5148-178.7-54.6-73.8000110L245 Q249 P250 I251 V276L245-F247 PolarHBondContact O-N 2.96Å; F247-Q249 PolarHBondContact O-N 3.43Å; F247-P250 HydrophobicContact CB-CG 4.03Å; F247-P250 VanDerWaalsContact O-CD 3.24Å; F247-P250 WeakPolarHBondContact O-CD 3.31Å; F247-I251 WeakPolarHBondContact O-CG1 3.37Å; F247-I251 PolarHBondContact O-N 2.81Å; F247-V276 HydrophobicContact CD1-CG1 4.21Å; F247-V276 HydrophobicContact CD1-CG2 4.08Å; F247-V276 HydrophobicContact CE1-CB 4.36Å; F247-V276 HydrophobicContact CE1-CG1 3.65Å; F247-V276 HydrophobicContact CE1-CG2 3.74Å; F247-V276 HydrophobicContact CE2-CG2 4.28Å; F247-V276 HydrophobicContact CG-CG2 4.49Å; F247-V276 HydrophobicContact CZ-CG1 4.34Å; F247-V276 HydrophobicContact CZ-CG2 3.85Å
248L92.5Very high95.6Very high68 Ų6849.4 Ų49.436%0.35627%0.268SS..Hα-helixtrans-62.5-38.6-177-72.8-174.3000114P7 I251 Q252P7-L248 HydrophobicContact CG-CD1 3.47Å; P7-L248 VanDerWaalsContact CG-CD1 3.47Å; P7-L248 HydrophobicContact CG-CG 4.03Å; L248-I251 HydrophobicContact CD2-CD1 4.25Å; L248-I251 WeakPolarHBondContact O-CB 3.46Å; L248-I251 PolarHBondContact O-N 3.41Å; L248-Q252 WeakPolarHBondContact O-CG 3.45Å; L248-Q252 PolarHBondContact O-N 3.31Å
249Q93.6Very high95.6Very high79 Ų7951.7 Ų51.737%0.36929%0.288SS..Hα-helixtrans-63.6-47.6-175.7-176.9170.646.200112.8F247 I251 Q252 L253 M274F247-Q249 PolarHBondContact O-N 3.43Å; Q249-I251 VanDerWaalsContact C-N 3.32Å; Q249-I251 PolarHBondContact O-N 3.39Å; Q249-Q252 PolarHBondContact O-N 3.4Å; Q249-L253 HydrophobicContact CG-CD1 4.07Å; Q249-L253 HydrophobicContact CG-CG 4.45Å; Q249-L253 WeakPolarHBondContact O-CG 3.45Å; Q249-L253 PolarHBondContact O-N 3.15Å; Q249-M274 HydrophobicContact CB-SD 4.22Å; Q249-M274 HydrophobicContact CG-CG 4.07Å; Q249-M274 HydrophobicContact CG-SD 3.93Å
250P95.1Very high95.5Very high4 Ų456.3 Ų56.33%0.02631%0.307CS..Hα-helixtrans-52.3-46.3168.4-23.626.5000113.1L245 F247 Q252 L253 S254 L271 M274L245-P250 HydrophobicContact CB-CB 4.04Å; L245-P250 HydrophobicContact CB-CG 3.9Å; L245-P250 HydrophobicContact CD1-CB 4.39Å; L245-P250 HydrophobicContact CD1-CG 4.42Å; F247-P250 HydrophobicContact CB-CG 4.03Å; F247-P250 VanDerWaalsContact O-CD 3.24Å; F247-P250 WeakPolarHBondContact O-CD 3.31Å; P250-Q252 PolarHBondContact O-N 3.01Å; P250-L253 PolarHBondContact O-N 3.37Å; P250-S254 VanDerWaalsContact O-CB 3.22Å; P250-S254 WeakPolarHBondContact O-CB 3.21Å; P250-S254 PolarHBondContact O-N 2.89Å; P250-S254 PolarHBondContact O-OG 3.44Å; P250-L271 HydrophobicContact CB-CD2 4.5Å; P250-M274 HydrophobicContact CB-SD 4.45Å; P250-M274 WeakPolarHBondContact CD-SD 3.32Å; P250-M274 HydrophobicContact CG-CE 3.81Å; P250-M274 HydrophobicContact CG-SD 3.6Å; P250-M274 VanDerWaalsContact CG-SD 3.6Å
251I96.9Very high95.6Very high45 Ų4556.4 Ų56.423%0.23131%0.308CS..Hα-helixtrans-57.2-49.3179.8-61166.4000110.8F247 L248 Q249 S254 A255F247-I251 WeakPolarHBondContact O-CG1 3.37Å; F247-I251 PolarHBondContact O-N 2.81Å; L248-I251 HydrophobicContact CD2-CD1 4.25Å; L248-I251 WeakPolarHBondContact O-CB 3.46Å; L248-I251 PolarHBondContact O-N 3.41Å; Q249-I251 VanDerWaalsContact C-N 3.32Å; Q249-I251 PolarHBondContact O-N 3.39Å; I251-S254 PolarHBondContact O-N 3.01Å; I251-A255 WeakPolarHBondContact O-CB 3.35Å; I251-A255 PolarHBondContact O-N 3.13Å
252Q95.9Very high96Very high120 Ų12053.7 Ų53.756%0.56129%0.293SS*.Hα-helixtrans-65.1-45.1-178-71.2174.6-26.300112.2L248 Q249 P250 A255 M256L248-Q252 WeakPolarHBondContact O-CG 3.45Å; L248-Q252 PolarHBondContact O-N 3.31Å; Q249-Q252 PolarHBondContact O-N 3.4Å; P250-Q252 PolarHBondContact O-N 3.01Å; Q252-A255 PolarHBondContact O-N 2.87Å; Q252-M256 WeakPolarHBondContact O-CG 3.27Å; Q252-M256 PolarHBondContact O-N 2.86Å; Q252-M256 VanDerWaalsContact O-N 3.13Å
253L97.1Very high96.2Very high42 Ų4258.8 Ų58.822%0.2231%0.31CS..Hα-helixtrans-64.1-43.6177.4-67.7175.9000111.3Q249 P250 M256 V257 L269 L271 P272Q249-L253 HydrophobicContact CG-CD1 4.07Å; Q249-L253 HydrophobicContact CG-CG 4.45Å; Q249-L253 WeakPolarHBondContact O-CG 3.45Å; Q249-L253 PolarHBondContact O-N 3.15Å; P250-L253 PolarHBondContact O-N 3.37Å; L253-M256 HydrophobicContact CD2-CE 3.66Å; L253-M256 PolarHBondContact O-N 3.19Å; L253-V257 WeakPolarHBondContact O-CG2 3.47Å; L253-V257 PolarHBondContact O-N 3.42Å; L253-L269 HydrophobicContact CB-CD1 4.36Å; L253-L271 HydrophobicContact CB-CD2 3.95Å; L253-L271 HydrophobicContact CD1-CD2 3.8Å; L253-P272 VanDerWaalsContact CD1-CD 3.45Å; L253-P272 HydrophobicContact CD1-CG 4.12Å
254S98.4Very high96.2Very high1 Ų156.7 Ų56.71%0.00732%0.319CS..Hα-helixtrans-60.9-43.9175.5-70.10000112L224 P250 I251 M256 V257 L258 L269L224-S254 VanDerWaalsContact CD1-O 3.22Å; L224-S254 WeakPolarHBondContact CD1-O 3.39Å; P250-S254 VanDerWaalsContact O-CB 3.22Å; P250-S254 WeakPolarHBondContact O-CB 3.21Å; P250-S254 PolarHBondContact O-N 2.89Å; P250-S254 PolarHBondContact O-OG 3.44Å; I251-S254 PolarHBondContact O-N 3.01Å; S254-M256 PolarHBondContact O-N 3.27Å; S254-V257 PolarHBondContact O-N 2.79Å; S254-L258 VanDerWaalsContact O-CB 3.24Å; S254-L258 WeakPolarHBondContact O-CB 3.37Å; S254-L258 PolarHBondContact O-N 2.95Å; S254-L269 VanDerWaalsContact OG-CD2 3.29Å; S254-L269 WeakPolarHBondContact OG-CD2 3.08Å
255A98.1Very high96.2Very high43 Ų4358.9 Ų58.936%0.35533%0.329SS..Hα-helixtrans-60.8-43.8177.600000112.2L234 I251 Q252 L258 A259L234-A255 HydrophobicContact CD2-CB 4.08Å; I251-A255 WeakPolarHBondContact O-CB 3.35Å; I251-A255 PolarHBondContact O-N 3.13Å; Q252-A255 PolarHBondContact O-N 2.87Å; A255-L258 PolarHBondContact O-N 3.47Å; A255-A259 WeakPolarHBondContact O-CB 3.34Å; A255-A259 PolarHBondContact O-N 3Å
256M97.9Very high96.2Very high112 Ų11263 Ų6355%0.55235%0.351SS*.Hα-helixtrans-64.9-40.3177.7-71.6-173.7-7100113Q252 L253 S254 K260Q252-M256 WeakPolarHBondContact O-CG 3.27Å; Q252-M256 PolarHBondContact O-N 2.86Å; Q252-M256 VanDerWaalsContact O-N 3.13Å; L253-M256 HydrophobicContact CD2-CE 3.66Å; L253-M256 PolarHBondContact O-N 3.19Å; S254-M256 PolarHBondContact O-N 3.27Å; M256-K260 PolarHBondContact O-N 3.28Å
257V98.2Very high96.4Very high20 Ų2062.7 Ų62.712%0.12135%0.349CS..Hα-helixtrans-70.6-45177.3171.20000110.7L253 S254 A259 K260 N261 T267 L269L253-V257 WeakPolarHBondContact O-CG2 3.47Å; L253-V257 PolarHBondContact O-N 3.42Å; S254-V257 PolarHBondContact O-N 2.79Å; V257-A259 VanDerWaalsContact C-N 3.34Å; V257-A259 PolarHBondContact O-N 3.48Å; V257-K260 WeakPolarHBondContact O-CB 3.05Å; V257-K260 PolarHBondContact O-N 3.38Å; V257-K260 VanDerWaalsContact O-N 3.14Å; V257-N261 PolarHBondContact O-N 2.99Å; V257-N261 VanDerWaalsContact O-N 3.07Å; V257-T267 HydrophobicContact CG1-CG2 4.4Å; V257-T267 WeakPolarHBondContact CG1-O 3.35Å; V257-L269 HydrophobicContact CB-CD1 4.23Å; V257-L269 HydrophobicContact CG1-CB 4.29Å; V257-L269 HydrophobicContact CG2-CD1 3.86Å
258L98.6Very high96.6Very high4 Ų461.9 Ų61.92%0.02135%0.35CS..Hα-helixtrans-61.7-42.5179.7-177.654.6000111.5V67 L224 Y232 L234 S254 A255 K260 N261 L262V67-L258 HydrophobicContact CB-CD2 4.33Å; V67-L258 HydrophobicContact CG1-CD2 3.54Å; V67-L258 HydrophobicContact CG2-CD2 3.8Å; L224-L258 HydrophobicContact CB-CD1 4.32Å; L224-L258 HydrophobicContact CD1-CB 3.84Å; Y232-L258 HydrophobicContact CD1-CD1 3.28Å; Y232-L258 HydrophobicContact CD2-CD1 4.41Å; Y232-L258 HydrophobicContact CE1-CD1 3.98Å; Y232-L258 HydrophobicContact CG-CD1 3.55Å; L234-L258 HydrophobicContact CD2-CB 4.33Å; L234-L258 HydrophobicContact CD2-CD2 3.62Å; L234-L258 HydrophobicContact CG-CD2 4.25Å; S254-L258 VanDerWaalsContact O-CB 3.24Å; S254-L258 WeakPolarHBondContact O-CB 3.37Å; S254-L258 PolarHBondContact O-N 2.95Å; A255-L258 PolarHBondContact O-N 3.47Å; L258-K260 PolarHBondContact O-N 3.04Å; L258-N261 PolarHBondContact O-N 2.94Å; L258-L262 HydrophobicContact CD1-CD1 4.34Å; L258-L262 HydrophobicContact CD1-CD2 4.32Å; L258-L262 HydrophobicContact CD1-CG 3.96Å; L258-L262 HydrophobicContact CG-CD1 3.99Å; L258-L262 HydrophobicContact CG-CG 4.12Å; L258-L262 WeakPolarHBondContact O-CG 3.19Å; L258-L262 PolarHBondContact O-N 3.25Å
259A98.2Very high96.8Very high51 Ų5159.4 Ų59.442%0.42134%0.337SS..Hα-helixtrans-56.1-40.8176.200000112A255 V257 L263A255-A259 WeakPolarHBondContact O-CB 3.34Å; A255-A259 PolarHBondContact O-N 3Å; V257-A259 VanDerWaalsContact C-N 3.34Å; V257-A259 PolarHBondContact O-N 3.48Å; A259-L263 WeakPolarHBondContact O-CG 3.4Å; A259-L263 PolarHBondContact O-N 2.96Å
260K97.9Very high96.9Very high109 Ų10963.3 Ų63.347%0.47435%0.353SS..Hα-helixtrans-64.2-43.2174.3-68.5175-178.8179.80111.7M256 V257 L258 L263 N265M256-K260 PolarHBondContact O-N 3.28Å; V257-K260 WeakPolarHBondContact O-CB 3.05Å; V257-K260 PolarHBondContact O-N 3.38Å; V257-K260 VanDerWaalsContact O-N 3.14Å; L258-K260 PolarHBondContact O-N 3.04Å; K260-L263 PolarHBondContact O-N 3.36Å; K260-N265 HydrophobicContact CB-CB 4.15Å; K260-N265 VanDerWaalsContact O-CB 3.22Å; K260-N265 WeakPolarHBondContact O-CB 3.22Å; K260-N265 PolarHBondContact O-N 2.88Å; K260-N265 VanDerWaalsContact O-N 3.11Å; K260-N265 PolarHBondContact O-ND2 3.36Å
261N97.9Very high96.8Very high11 Ų1164.9 Ų64.96%0.05936%0.361CS..Hα-helixtrans-69.9-36-177.1-65.9-12.5000112.2Y223 V257 L258 L263 G264 N265 T267Y223-N261 PolarHBondContact O-ND2 2.78Å; V257-N261 PolarHBondContact O-N 2.99Å; V257-N261 VanDerWaalsContact O-N 3.07Å; L258-N261 PolarHBondContact O-N 2.94Å; N261-L263 PolarHBondContact O-N 2.81Å; N261-G264 PolarHBondContact O-N 2.87Å; N261-N265 WeakPolarHBondContact CA-O 3.5Å; N261-N265 PolarHBondContact OD1-O 3.49Å; N261-T267 PolarHBondContact ND2-O 2.94Å; N261-T267 PolarHBondContact OD1-N 3.33Å; N261-T267 PolarHBondContact OD1-O 3.06Å
262L97.7Very high96.5Very high65 Ų6565.5 Ų65.534%0.3437%0.368SS..Hα-helixtrans-63.4-27.5172.7-69.1174.1000112.7K65 V67 Y232 L258 G264K65-L262 HydrophobicContact CB-CD2 3.84Å; K65-L262 HydrophobicContact CG-CD2 4.17Å; V67-L262 HydrophobicContact CG2-CD1 3.8Å; V67-L262 HydrophobicContact CG2-CD2 4.48Å; Y232-L262 HydrophobicContact CD2-CD2 3.84Å; Y232-L262 HydrophobicContact CE2-CD2 3.77Å; Y232-L262 HydrophobicContact CG-CD2 4.47Å; L258-L262 HydrophobicContact CD1-CD1 4.34Å; L258-L262 HydrophobicContact CD1-CD2 4.32Å; L258-L262 HydrophobicContact CD1-CG 3.96Å; L258-L262 HydrophobicContact CG-CD1 3.99Å; L258-L262 HydrophobicContact CG-CG 4.12Å; L258-L262 WeakPolarHBondContact O-CG 3.19Å; L258-L262 PolarHBondContact O-N 3.25Å; L262-G264 PolarHBondContact O-N 3.45Å
263L96.6Very high96.3Very high150 Ų15061.1 Ų61.179%0.78535%0.352SS*.THydrogen-bonded Turntrans-8510.6173.9-64.8172.5000113.5A259 K260 N261A259-L263 WeakPolarHBondContact O-CG 3.4Å; A259-L263 PolarHBondContact O-N 2.96Å; K260-L263 PolarHBondContact O-N 3.36Å; N261-L263 PolarHBondContact O-N 2.81Å
264G94.2Very high96.1Very high71 Ų7160.9 Ų60.973%0.73235%0.351SS*.THydrogen-bonded Turntrans92.36.2175.800000115.4N261 L262N261-G264 PolarHBondContact O-N 2.87Å; L262-G264 PolarHBondContact O-N 3.45Å
265N96.1Very high95.9Very high87 Ų8762.2 Ų62.247%0.46536%0.357SS..  trans-75.7165.2169.6-60.2-64.5000111.3K260 N261K260-N265 HydrophobicContact CB-CB 4.15Å; K260-N265 VanDerWaalsContact O-CB 3.22Å; K260-N265 WeakPolarHBondContact O-CB 3.22Å; K260-N265 PolarHBondContact O-N 2.88Å; K260-N265 VanDerWaalsContact O-N 3.11Å; K260-N265 PolarHBondContact O-ND2 3.36Å; N261-N265 WeakPolarHBondContact CA-O 3.5Å; N261-N265 PolarHBondContact OD1-O 3.49Å
266N93.9Very high95.7Very high117 Ų11761.3 Ų61.363%0.62635%0.347SS*.  trans-125.566.8174.4-163.230.6000110Y223Y223-N266 WeakPolarHBondContact CD1-OD1 3.48Å; Y223-N266 HydrophobicContact CE1-CB 4.44Å; Y223-N266 WeakPolarHBondContact CE1-OD1 3.35Å; Y223-N266 VanDerWaalsContact CZ-OD1 3.24Å
267T96.6Very high95.6Very high48 Ų4861.6 Ų61.629%0.29435%0.345SS..  trans-99.4115-176.6-55.70000109.8Y223 V257 N261Y223-T267 WeakPolarHBondContact CD1-O 3.22Å; V257-T267 HydrophobicContact CG1-CG2 4.4Å; V257-T267 WeakPolarHBondContact CG1-O 3.35Å; N261-T267 PolarHBondContact ND2-O 2.94Å; N261-T267 PolarHBondContact OD1-N 3.33Å; N261-T267 PolarHBondContact OD1-O 3.06Å
268P97.2Very high95.6Very high52 Ų5260.7 Ų60.734%0.33834%0.34SS..  trans-71.5138.7174.429.5-33.6000110.2S222 Y223 K270S222-P268 CarbonylContact O-C 3.58Å; S222-P268 WeakPolarHBondContact O-CA 3.26Å; Y223-P268 HydrophobicContact CE1-CB 3.99Å; Y223-P268 HydrophobicContact CE1-CG 4.47Å; P268-K270 PolarHBondContact O-N 2.98Å
269L97.3Very high95.5Very high16 Ų1663.1 Ų63.18%0.08435%0.35CS..  trans-65.6123.3173.5178.363.1000109.9S222 L224 I240 L253 S254 V257 L271S222-L269 PolarHBondContact O-N 3.22Å; L224-L269 HydrophobicContact CD1-CD2 4.43Å; L224-L269 HydrophobicContact CD2-CD2 3.82Å; L224-L269 HydrophobicContact CG-CD2 4.32Å; I240-L269 HydrophobicContact CD1-CD2 3.93Å; I240-L269 HydrophobicContact CG2-CD2 4.03Å; L253-L269 HydrophobicContact CB-CD1 4.36Å; S254-L269 VanDerWaalsContact OG-CD2 3.29Å; S254-L269 WeakPolarHBondContact OG-CD2 3.08Å; V257-L269 HydrophobicContact CB-CD1 4.23Å; V257-L269 HydrophobicContact CG1-CB 4.29Å; V257-L269 HydrophobicContact CG2-CD1 3.86Å; L269-L271 HydrophobicContact CD1-CD2 3.85Å; L269-L271 HydrophobicContact CD1-CG 4.34Å; L269-L271 HydrophobicContact CD2-CD1 4.39Å; L269-L271 HydrophobicContact CD2-CD2 4.16Å; L269-L271 HydrophobicContact CD2-CG 4.16Å; L269-L271 HydrophobicContact CG-CD2 4.11Å; L269-L271 HydrophobicContact CG-CG 4.08Å
270K94.6Very high95.5Very high161 Ų16160.7 Ų60.770%0.733%0.33SS*.  trans-117.6111.5170-65-176.1-179.4-177.40108.2P268P268-K270 PolarHBondContact O-N 2.98Å
271L92.9Very high95.4Very high37 Ų3759 Ų5919%0.19433%0.33CS..  trans-89.7122.9174.1-63.1176.3000108L245 P250 L253 L269 M274L245-L271 HydrophobicContact CD1-CD1 3.48Å; L245-L271 VanDerWaalsContact CD1-CD1 3.48Å; P250-L271 HydrophobicContact CB-CD2 4.5Å; L253-L271 HydrophobicContact CB-CD2 3.95Å; L253-L271 HydrophobicContact CD1-CD2 3.8Å; L269-L271 HydrophobicContact CD1-CD2 3.85Å; L269-L271 HydrophobicContact CD1-CG 4.34Å; L269-L271 HydrophobicContact CD2-CD1 4.39Å; L269-L271 HydrophobicContact CD2-CD2 4.16Å; L269-L271 HydrophobicContact CD2-CG 4.16Å; L269-L271 HydrophobicContact CG-CD2 4.11Å; L269-L271 HydrophobicContact CG-CG 4.08Å; L271-M274 HydrophobicContact CB-CE 3.98Å; L271-M274 HydrophobicContact CB-SD 4.47Å; L271-M274 HydrophobicContact CD1-CE 4.19Å; L271-M274 HydrophobicContact CD2-SD 4.41Å; L271-M274 HydrophobicContact CG-CE 4.49Å
272P91.9Very high95.3Very high59 Ų5961.9 Ų61.938%0.38334%0.344SS..  trans-70177.1174.232.7-35000110L253 M274L253-P272 VanDerWaalsContact CD1-CD 3.45Å; L253-P272 HydrophobicContact CD1-CG 4.12Å; P272-M274 HydrophobicContact CG-CG 4.3Å; P272-M274 VanDerWaalsContact O-CG 3.31Å; P272-M274 WeakPolarHBondContact O-CG 3.39Å; P272-M274 PolarHBondContact O-N 3.38Å
273A91.3Very high95.2Very high27 Ų2759 Ų5922%0.22333%0.329CS..  trans-58.1127.7159.200000108.9L335 L338A273-L335 HydrophobicContact CB-CD1 3.72Å; A273-L335 HydrophobicContact CB-CG 4.24Å; A273-L338 HydrophobicContact CB-CB 4.22Å; A273-L338 HydrophobicContact CB-CD1 4.15Å
274M92.7Very high95.2Very high38 Ų3853.4 Ų53.419%0.18730%0.301CS..  trans-115139.8-172.7-67.5176.7-71.100110.6Q249 P250 L271 P272 A288Q249-M274 HydrophobicContact CB-SD 4.22Å; Q249-M274 HydrophobicContact CG-CG 4.07Å; Q249-M274 HydrophobicContact CG-SD 3.93Å; P250-M274 HydrophobicContact CB-SD 4.45Å; P250-M274 WeakPolarHBondContact CD-SD 3.32Å; P250-M274 HydrophobicContact CG-CE 3.81Å; P250-M274 HydrophobicContact CG-SD 3.6Å; P250-M274 VanDerWaalsContact CG-SD 3.6Å; L271-M274 HydrophobicContact CB-CE 3.98Å; L271-M274 HydrophobicContact CB-SD 4.47Å; L271-M274 HydrophobicContact CD1-CE 4.19Å; L271-M274 HydrophobicContact CD2-SD 4.41Å; L271-M274 HydrophobicContact CG-CE 4.49Å; P272-M274 HydrophobicContact CG-CG 4.3Å; P272-M274 VanDerWaalsContact O-CG 3.31Å; P272-M274 WeakPolarHBondContact O-CG 3.39Å; P272-M274 PolarHBondContact O-N 3.38Å; M274-A288 VanDerWaalsContact O-CB 3.26Å; M274-A288 WeakPolarHBondContact O-CB 3.32Å
275L93.7Very high95.4Very high29 Ų2950 Ų5015%0.15227%0.266CS..  trans-87.8116.7177.4-160.471.1000109.4H286 A288 F321 A331L275-H286 HydrophobicContact CD1-CB 3.81Å; L275-H286 HydrophobicContact CD2-CB 3.89Å; L275-H286 HydrophobicContact CG-CB 3.89Å; L275-A288 HydrophobicContact CD1-CB 4.12Å; L275-F321 HydrophobicContact CD1-CE2 4.07Å; L275-F321 HydrophobicContact CD1-CZ 3.82Å; L275-A331 HydrophobicContact CD1-CB 4.09Å; L275-A331 HydrophobicContact CD2-CB 4.18Å
276V94.9Very high95.5Very high23 Ų2347.3 Ų47.314%0.13925%0.251CS..EExtended strand (participates in β ladder)trans-86.1133.1166.1-179.60000107.7L114 F247 H286 L287L114-V276 HydrophobicContact CD1-CG1 3.61Å; F247-V276 HydrophobicContact CD1-CG1 4.21Å; F247-V276 HydrophobicContact CD1-CG2 4.08Å; F247-V276 HydrophobicContact CE1-CB 4.36Å; F247-V276 HydrophobicContact CE1-CG1 3.65Å; F247-V276 HydrophobicContact CE1-CG2 3.74Å; F247-V276 HydrophobicContact CE2-CG2 4.28Å; F247-V276 HydrophobicContact CG-CG2 4.49Å; F247-V276 HydrophobicContact CZ-CG1 4.34Å; F247-V276 HydrophobicContact CZ-CG2 3.85Å; V276-H286 WeakPolarHBondContact O-CA 3.37Å; V276-L287 HydrophobicContact CB-CD2 3.8Å; V276-L287 HydrophobicContact CB-CG 3.97Å; V276-L287 HydrophobicContact CG1-CD2 3.91Å; V276-L287 PolarHBondContact N-O 3.02Å; V276-L287 WeakPolarHBondContact O-CD2 3.48Å; V276-L287 PolarHBondContact O-N 2.84Å
277K95.6Very high95.6Very high118 Ų11842 Ų4251%0.51322%0.222SC..EExtended strand (participates in β ladder)trans-110.2129178.3-52.3-170174.8177.60109.5H286K277-H286 WeakPolarHBondContact CD-NE2 3.28Å; K277-H286 VanDerWaalsContact CG-CD2 3.46Å; K277-H286 WeakPolarHBondContact CG-CD2 3.46Å
278I97Very high95.6Very high2 Ų239.9 Ų39.91%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-103.3109170.8-51.8-178.3000106.2L114 E118 L140 L143 M144 T280 L285 L287L114-I278 HydrophobicContact CD1-CG1 4.05Å; L114-I278 HydrophobicContact CG-CG1 4.19Å; E118-I278 HydrophobicContact CG-CG2 4.31Å; L140-I278 HydrophobicContact CD1-CD1 3.46Å; L140-I278 VanDerWaalsContact CD1-CD1 3.46Å; L140-I278 HydrophobicContact CD2-CD1 3.94Å; L140-I278 HydrophobicContact CG-CD1 4.3Å; L143-I278 HydrophobicContact CD1-CD1 4.32Å; M144-I278 HydrophobicContact CE-CD1 3.73Å; I278-T280 VanDerWaalsContact C-N 3.29Å; I278-T280 HydrophobicContact CG2-CG2 4.12Å; I278-T280 PolarHBondContact O-N 3.41Å; I278-L285 HydrophobicContact CB-CB 4.18Å; I278-L285 HydrophobicContact CB-CD1 4.08Å; I278-L285 HydrophobicContact CD1-CB 4.38Å; I278-L285 HydrophobicContact CD1-CD1 4.48Å; I278-L285 HydrophobicContact CG1-CB 4.49Å; I278-L285 HydrophobicContact CG2-CD1 4.15Å; I278-L285 PolarHBondContact N-O 2.66Å; I278-L285 PolarHBondContact O-N 3.39Å; I278-L287 HydrophobicContact CD1-CD2 3.79Å; I278-L287 HydrophobicContact CG1-CD2 3.81Å
279K96.7Very high95.5Very high55 Ų5539.1 Ų39.124%0.23921%0.212CC..  trans-8672.2-172.3-64.4162.5-71.8114.40109.7P7 S10 H11 E118 P281P7-K279 HydrophobicContact CB-CD 4.46Å; P7-K279 PolarHBondContact O-NZ 3.14Å; S10-K279 PolarHBondContact OG-NZ 3.49Å; H11-K279 PolarHBondContact CE1-O 2.78Å; H11-K279 WeakPolarHBondContact NE2-CB 3.3Å; H11-K279 PolarHBondContact NE2-NZ 3.35Å; H11-K279 VanDerWaalsContact NE2-NZ 3.14Å; H11-K279 PolarHBondContact NE2-O 2.79Å; E118-K279 HydrophobicContact CG-CB 4.38Å; E118-K279 WeakPolarHBondContact OE1-CB 3.28Å; E118-K279 WeakPolarHBondContact OE1-CE 3.37Å; E118-K279 PolarHBondContact OE1-N 3.06Å; E118-K279 IonicContact OE1-NZ 3.04Å; E118-K279 PolarHBondContact OE1-NZ 3.4Å; E118-K279 WeakPolarHBondContact OE2-CE 3.35Å; E118-K279 IonicContact OE2-NZ 2.98Å; E118-K279 PolarHBondContact OE2-NZ 3.34Å; K279-P281 WeakPolarHBondContact O-CD 3.25Å
280T97.9Very high95.2Very high0 Ų042.4 Ų42.40%023%0.226CC..  trans-110.391.117534.90000107.6E118 M121 L152 I278 E282 L283 P284 L285E118-T280 HydrophobicContact CG-CG2 4.35Å; M121-T280 HydrophobicContact CB-CG2 4.3Å; M121-T280 HydrophobicContact CE-CG2 3.89Å; M121-T280 WeakPolarHBondContact SD-CA 3.37Å; M121-T280 VanDerWaalsContact SD-CB 3.51Å; M121-T280 HydrophobicContact SD-CG2 3.98Å; L152-T280 HydrophobicContact CD1-CG2 3.97Å; L152-T280 HydrophobicContact CD2-CG2 4.33Å; I278-T280 VanDerWaalsContact C-N 3.29Å; I278-T280 HydrophobicContact CG2-CG2 4.12Å; I278-T280 PolarHBondContact O-N 3.41Å; T280-E282 PolarHBondContact O-N 3Å; T280-L283 WeakPolarHBondContact CB-O 3.43Å; T280-L283 CarbonylContact O-C 3.5Å; T280-L283 WeakPolarHBondContact O-CA 3.48Å; T280-L283 PolarHBondContact O-N 3.15Å; T280-L283 VanDerWaalsContact O-O 3.11Å; T280-L283 PolarHBondContact OG1-O 3.33Å; T280-P284 VanDerWaalsContact O-CA 3.28Å; T280-P284 WeakPolarHBondContact O-CA 3.34Å; T280-P284 WeakPolarHBondContact O-CD 3.46Å; T280-L285 WeakPolarHBondContact OG1-CD1 3.29Å
281P96.1Very high95Very high73 Ų7335.4 Ų35.447%0.47420%0.197SC..THydrogen-bonded Turntrans-55.2-28.2-167.6-29.236000115.9M121 K279 L283M121-P281 VanDerWaalsContact SD-N 3.44Å; K279-P281 WeakPolarHBondContact O-CD 3.25Å; P281-L283 VanDerWaalsContact C-N 3.34Å
282E95.7Very high94.7Very high72 Ų7238.7 Ų38.734%0.33621%0.211SC..THydrogen-bonded Turntrans-80.1-13.9177.2-66.6-63.9142.800113.9M121 R125 R155 M159 T280M121-E282 HydrophobicContact CE-CB 3.83Å; M121-E282 HydrophobicContact SD-CB 3.75Å; M121-E282 HydrophobicContact SD-CG 4.12Å; M121-E282 PolarHBondContact SD-N 2.79Å; M121-E282 VanDerWaalsContact SD-N 3.45Å; R125-E282 IonicContact CZ-OE1 2.73Å; R125-E282 IonicContact NH1-OE1 3.92Å; R125-E282 PolarHBondContact NH1-OE1 2.91Å; R155-E282 HydrophobicContact CG-CB 4.33Å; R155-E282 IonicContact CZ-OE2 3.03Å; R155-E282 IonicContact NE-OE2 2.76Å; R155-E282 IonicContact NH2-OE2 2.9Å; R155-E282 PolarHBondContact NH2-OE2 3.28Å; M159-E282 HydrophobicContact CE-CG 3.99Å; M159-E282 HydrophobicContact SD-CB 3.93Å; M159-E282 HydrophobicContact SD-CG 3.89Å; T280-E282 PolarHBondContact O-N 3Å
283L96.8Very high94.6Very high5 Ų539.6 Ų39.63%0.02621%0.207CC..SBendtrans-161.379.1172.2-166.4159.5000108R151 L152 R155 T280 P281 L285 E325R151-L283 HydrophobicContact CB-CD1 4.18Å; R151-L283 HydrophobicContact CG-CD1 3.69Å; R151-L283 WeakPolarHBondContact O-CD1 3.36Å; L152-L283 HydrophobicContact CB-CD2 4.24Å; L152-L283 HydrophobicContact CD1-CB 4.11Å; L152-L283 HydrophobicContact CD1-CD2 4.37Å; R155-L283 HydrophobicContact CB-CB 4.38Å; R155-L283 HydrophobicContact CB-CD1 3.88Å; R155-L283 HydrophobicContact CG-CB 4.11Å; R155-L283 HydrophobicContact CG-CD1 4.35Å; T280-L283 WeakPolarHBondContact CB-O 3.43Å; T280-L283 CarbonylContact O-C 3.5Å; T280-L283 WeakPolarHBondContact O-CA 3.48Å; T280-L283 PolarHBondContact O-N 3.15Å; T280-L283 VanDerWaalsContact O-O 3.11Å; T280-L283 PolarHBondContact OG1-O 3.33Å; P281-L283 VanDerWaalsContact C-N 3.34Å; L283-L285 HydrophobicContact CD2-CD1 3.75Å; L283-L285 HydrophobicContact CD2-CD2 4.11Å; L283-L285 HydrophobicContact CD2-CG 3.76Å; L283-L285 VanDerWaalsContact O-CD1 3.22Å; L283-L285 WeakPolarHBondContact O-CD1 3.42Å; L283-E325 HydrophobicContact CG-CG 4.33Å
284P97Very high94.6Very high31 Ų3147.9 Ų47.920%0.20124%0.241CC..  trans-72.8144.8-176.329.6-36.5000109.7T280 S324 E325 M328T280-P284 VanDerWaalsContact O-CA 3.28Å; T280-P284 WeakPolarHBondContact O-CA 3.34Å; T280-P284 WeakPolarHBondContact O-CD 3.46Å; P284-S324 WeakPolarHBondContact O-CA 3.22Å; P284-S324 WeakPolarHBondContact O-CB 3.22Å; P284-E325 PolarHBondContact O-N 3.45Å; P284-E325 VanDerWaalsContact O-N 3.09Å; P284-M328 HydrophobicContact CB-CE 3.7Å; P284-M328 HydrophobicContact CB-SD 3.71Å; P284-M328 HydrophobicContact CG-CE 3.36Å; P284-M328 HydrophobicContact CG-SD 3.89Å
285L97.6Very high94.6Very high1 Ų148.9 Ų48.91%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-128.3144.2176.8-50.293.7000111.9L152 I278 T280 L283 V322 V323L152-L285 HydrophobicContact CB-CD1 4.31Å; L152-L285 HydrophobicContact CD1-CD1 4.28Å; L152-L285 HydrophobicContact CD2-CD1 3.82Å; L152-L285 HydrophobicContact CG-CD1 4.35Å; I278-L285 HydrophobicContact CB-CB 4.18Å; I278-L285 HydrophobicContact CB-CD1 4.08Å; I278-L285 HydrophobicContact CD1-CB 4.38Å; I278-L285 HydrophobicContact CD1-CD1 4.48Å; I278-L285 HydrophobicContact CG1-CB 4.49Å; I278-L285 HydrophobicContact CG2-CD1 4.15Å; I278-L285 PolarHBondContact N-O 2.66Å; I278-L285 PolarHBondContact O-N 3.39Å; T280-L285 WeakPolarHBondContact OG1-CD1 3.29Å; L283-L285 HydrophobicContact CD2-CD1 3.75Å; L283-L285 HydrophobicContact CD2-CD2 4.11Å; L283-L285 HydrophobicContact CD2-CG 3.76Å; L283-L285 VanDerWaalsContact O-CD1 3.22Å; L283-L285 WeakPolarHBondContact O-CD1 3.42Å; L285-V322 HydrophobicContact CB-CG1 4.42Å; L285-V322 HydrophobicContact CD2-CG1 3.87Å; L285-V323 VanDerWaalsContact CA-O 3.31Å; L285-V323 WeakPolarHBondContact CA-O 3.31Å
286H97.2Very high94.7Very high30 Ų3048.3 Ų48.314%0.13925%0.245CC..EExtended strand (participates in β ladder)trans-120.7139.5163.3-63.7159.5000109.8L275 V276 K277 V322 V323 A331L275-H286 HydrophobicContact CD1-CB 3.81Å; L275-H286 HydrophobicContact CD2-CB 3.89Å; L275-H286 HydrophobicContact CG-CB 3.89Å; V276-H286 WeakPolarHBondContact O-CA 3.37Å; K277-H286 WeakPolarHBondContact CD-NE2 3.28Å; K277-H286 VanDerWaalsContact CG-CD2 3.46Å; K277-H286 WeakPolarHBondContact CG-CD2 3.46Å; H286-V322 CarbonylContact O-C 3.53Å; H286-V322 WeakPolarHBondContact O-CA 3.31Å; H286-V323 HydrophobicContact CB-CG2 3.91Å; H286-V323 PolarHBondContact N-O 3.14Å; H286-V323 PolarHBondContact O-N 3.42Å; H286-A331 HydrophobicContact CB-CB 4.33Å
287L97Very high94.8Very high4 Ų452.7 Ų52.72%0.02126%0.259CS..EExtended strand (participates in β ladder)trans-137.8152.1176.166.7156.6000111.1L143 M144 V276 I278 T291 F321 V322L143-L287 HydrophobicContact CB-CD1 3.95Å; L143-L287 HydrophobicContact CD2-CD1 4.45Å; M144-L287 HydrophobicContact CE-CD1 4.08Å; M144-L287 HydrophobicContact CE-CD2 4.36Å; V276-L287 HydrophobicContact CB-CD2 3.8Å; V276-L287 HydrophobicContact CB-CG 3.97Å; V276-L287 HydrophobicContact CG1-CD2 3.91Å; V276-L287 PolarHBondContact N-O 3.02Å; V276-L287 WeakPolarHBondContact O-CD2 3.48Å; V276-L287 PolarHBondContact O-N 2.84Å; I278-L287 HydrophobicContact CD1-CD2 3.79Å; I278-L287 HydrophobicContact CG1-CD2 3.81Å; L287-T291 HydrophobicContact CD1-CG2 4.13Å; L287-F321 VanDerWaalsContact CA-O 3.24Å; L287-F321 WeakPolarHBondContact CA-O 3.42Å; L287-F321 WeakPolarHBondContact CB-O 3.47Å; L287-V322 HydrophobicContact CB-CB 4.45Å; L287-V322 HydrophobicContact CB-CG1 4.45Å; L287-V322 HydrophobicContact CB-CG2 3.86Å
288A96.6Very high94.8Very high4 Ų449.7 Ų49.73%0.03324%0.244CC..EExtended strand (participates in β ladder)trans-154.4165.4172.300000110.9M274 L275 A320 F321 L335 L338M274-A288 VanDerWaalsContact O-CB 3.26Å; M274-A288 WeakPolarHBondContact O-CB 3.32Å; L275-A288 HydrophobicContact CD1-CB 4.12Å; A288-A320 WeakPolarHBondContact O-CA 3.5Å; A288-F321 HydrophobicContact CB-CD1 4.41Å; A288-F321 HydrophobicContact CB-CE1 3.69Å; A288-F321 HydrophobicContact CB-CZ 3.82Å; A288-F321 PolarHBondContact N-O 2.95Å; A288-F321 PolarHBondContact O-N 3.28Å; A288-L335 HydrophobicContact CB-CD1 3.39Å; A288-L338 HydrophobicContact CB-CD1 3.82Å
289G94.6Very high94.8Very high37 Ų3754.3 Ų54.338%0.38127%0.266SS..EExtended strand (participates in β ladder)trans86.7-165179.200000113.1T291 R319G289-T291 VanDerWaalsContact C-N 3.3Å; G289-T291 PolarHBondContact O-N 2.83Å; G289-T291 VanDerWaalsContact O-N 3.08Å; G289-R319 CarbonylContact C-O 3.55Å; G289-R319 VanDerWaalsContact CA-O 3.31Å; G289-R319 WeakPolarHBondContact CA-O 3.28Å
290E92.5Very high94.8Very high84 Ų8454.7 Ų54.739%0.39327%0.27SS..  trans-89.860.2-169.7-57.4170.6108.100111.3Q292 R293 L296 R319E290-Q292 PolarHBondContact O-N 3.37Å; E290-R293 VanDerWaalsContact CB-CD 3.48Å; E290-R293 HydrophobicContact CB-CG 3.76Å; E290-R293 WeakPolarHBondContact O-CB 3.47Å; E290-R293 PolarHBondContact O-N 3.07Å; E290-R293 VanDerWaalsContact O-N 3.07Å; E290-R293 IonicContact OE1-NH1 3.92Å; E290-R293 VanDerWaalsContact OE2-CD 3.32Å; E290-R293 WeakPolarHBondContact OE2-CD 3.36Å; E290-R293 IonicContact OE2-CZ 3.62Å; E290-R293 IonicContact OE2-NH1 3.43Å; E290-R293 PolarHBondContact OE2-NH1 3.33Å; E290-R293 VanDerWaalsContact OE2-NH1 3.1Å; E290-L296 WeakPolarHBondContact O-CD1 3.34Å; E290-R319 PolarHBondContact N-O 3.01Å; E290-R319 IonicContact OE1-NH2 3.1Å; E290-R319 IonicContact OE2-CZ 2.73Å; E290-R319 IonicContact OE2-NE 3.89Å; E290-R319 PolarHBondContact OE2-NE 3.22Å; E290-R319 IonicContact OE2-NH2 3.54Å; E290-R319 PolarHBondContact OE2-NH2 3.07Å
291T90.4Very high94.7Very high14 Ų1458.7 Ų58.79%0.08629%0.291CS..THydrogen-bonded Turntrans-61.2-15.7-171.9560000115.4L143 L287 G289 W298 A320L143-T291 WeakPolarHBondContact O-CB 3.48Å; L143-T291 PolarHBondContact O-OG1 2.8Å; L287-T291 HydrophobicContact CD1-CG2 4.13Å; G289-T291 VanDerWaalsContact C-N 3.3Å; G289-T291 PolarHBondContact O-N 2.83Å; G289-T291 VanDerWaalsContact O-N 3.08Å; T291-W298 HydrophobicContact CG2-CH2 4.26Å; T291-A320 HydrophobicContact CG2-CB 3.74Å
292Q85Confident94.6Very high106 Ų10659.2 Ų59.250%0.49529%0.293SS..THydrogen-bonded Turntrans-93.2-0.1-179.4-66.2-66.1-71.100113.6A141 S142 E290A141-Q292 PolarHBondContact O-NE2 3.02Å; S142-Q292 WeakPolarHBondContact O-CG 3.24Å; S142-Q292 PolarHBondContact O-NE2 2.72Å; S142-Q292 PolarHBondContact O-OE1 2.9Å; E290-Q292 PolarHBondContact O-N 3.37Å
293R90.9Very high94.5Very high79 Ų7958.7 Ų58.730%0.29829%0.29SS..  trans-62.1136173.6-83.8179.177.8127.8-0111.2E290 D295 L296E290-R293 VanDerWaalsContact CB-CD 3.48Å; E290-R293 HydrophobicContact CB-CG 3.76Å; E290-R293 WeakPolarHBondContact O-CB 3.47Å; E290-R293 PolarHBondContact O-N 3.07Å; E290-R293 VanDerWaalsContact O-N 3.07Å; E290-R293 IonicContact OE1-NH1 3.92Å; E290-R293 VanDerWaalsContact OE2-CD 3.32Å; E290-R293 WeakPolarHBondContact OE2-CD 3.36Å; E290-R293 IonicContact OE2-CZ 3.62Å; E290-R293 IonicContact OE2-NH1 3.43Å; E290-R293 PolarHBondContact OE2-NH1 3.33Å; E290-R293 VanDerWaalsContact OE2-NH1 3.1Å; R293-D295 WeakPolarHBondContact CB-OD1 3.27Å; R293-D295 IonicContact CZ-OD1 3.51Å; R293-D295 IonicContact CZ-OD2 3.89Å; R293-D295 IonicContact NE-OD1 3.53Å; R293-D295 PolarHBondContact NE-OD1 3.14Å; R293-D295 IonicContact NE-OD2 3.96Å; R293-D295 PolarHBondContact NE-OD2 3.11Å; R293-D295 IonicContact NH2-OD1 3.31Å; R293-D295 IonicContact NH2-OD2 3.1Å; R293-D295 PolarHBondContact NH2-OD2 3.38Å; R293-L296 HydrophobicContact CB-CD1 3.84Å; R293-L296 HydrophobicContact CB-CD2 3.99Å; R293-L296 HydrophobicContact CB-CG 3.56Å
294Q90Very high94.2Very high200 Ų20069.5 Ų69.594%0.93533%0.331SS*.THydrogen-bonded Turntrans-86-17.5-176.8-64.5-175.8-7.200113L296Q294-L296 VanDerWaalsContact C-N 3.33Å
295D94.2Very high93.9Very high59 Ų5972.1 Ų72.132%0.31634%0.34SS..THydrogen-bonded Turntrans-84.9-2.4179.461.7-51.5000113.5R293 R297R293-D295 WeakPolarHBondContact CB-OD1 3.27Å; R293-D295 IonicContact CZ-OD1 3.51Å; R293-D295 IonicContact CZ-OD2 3.89Å; R293-D295 IonicContact NE-OD1 3.53Å; R293-D295 PolarHBondContact NE-OD1 3.14Å; R293-D295 IonicContact NE-OD2 3.96Å; R293-D295 PolarHBondContact NE-OD2 3.11Å; R293-D295 IonicContact NH2-OD1 3.31Å; R293-D295 IonicContact NH2-OD2 3.1Å; R293-D295 PolarHBondContact NH2-OD2 3.38Å; D295-R297 PolarHBondContact O-N 2.84Å
296L96Very high93.8Very high18 Ų1872 Ų729%0.09434%0.34CS..  trans-76128.7-175.2-57-173.8000112.4E290 R293 Q294 W298 V312 R319 A320E290-L296 WeakPolarHBondContact O-CD1 3.34Å; R293-L296 HydrophobicContact CB-CD1 3.84Å; R293-L296 HydrophobicContact CB-CD2 3.99Å; R293-L296 HydrophobicContact CB-CG 3.56Å; Q294-L296 VanDerWaalsContact C-N 3.33Å; L296-W298 HydrophobicContact CD1-CZ2 4.19Å; L296-V312 CarbonylContact C-O 3.56Å; L296-V312 WeakPolarHBondContact CA-O 3.46Å; L296-R319 HydrophobicContact CD1-CB 4.46Å; L296-R319 HydrophobicContact CD2-CB 3.63Å; L296-R319 HydrophobicContact CD2-CG 3.88Å; L296-A320 HydrophobicContact CD1-CB 3.9Å
297R95.9Very high93.8Very high115 Ų11570.7 Ų70.743%0.43433%0.334SS..EExtended strand (participates in β ladder)trans-89.7120.6163.7-65.2177.3-67129.28.7108.6D295 V312 D313 D316D295-R297 PolarHBondContact O-N 2.84Å; R297-V312 HydrophobicContact CB-CG2 4.26Å; R297-V312 PolarHBondContact N-O 3.19Å; R297-V312 WeakPolarHBondContact O-CG2 3.2Å; R297-V312 PolarHBondContact O-N 3.34Å; R297-D313 PolarHBondContact NH2-O 3Å; R297-D316 IonicContact CZ-OD1 3.92Å; R297-D316 IonicContact NH1-OD1 3.67Å; R297-D316 IonicContact NH2-OD1 2.95Å; R297-D316 PolarHBondContact NH2-OD1 2.92Å
298W96.1Very high93.8Very high54 Ų5471 Ų7121%0.20534%0.336CS..EExtended strand (participates in β ladder)trans-92.6115.2-177.7-74.186000111.8P145 V148 T291 L296 I300 A309 R310 A320 V322P145-W298 HydrophobicContact CG-CZ2 4.18Å; V148-W298 HydrophobicContact CG1-CZ3 4.49Å; V148-W298 HydrophobicContact CG2-CD2 3.85Å; V148-W298 HydrophobicContact CG2-CE3 3.67Å; V148-W298 HydrophobicContact CG2-CG 4.3Å; V148-W298 HydrophobicContact CG2-CZ3 4.06Å; T291-W298 HydrophobicContact CG2-CH2 4.26Å; L296-W298 HydrophobicContact CD1-CZ2 4.19Å; W298-I300 HydrophobicContact CB-CD1 4.42Å; W298-I300 HydrophobicContact CB-CG1 4.16Å; W298-A309 HydrophobicContact CE3-CB 3.84Å; W298-A309 HydrophobicContact CZ3-CB 3.92Å; W298-R310 WeakPolarHBondContact CA-O 3.22Å; W298-A320 HydrophobicContact CH2-CB 4.02Å; W298-A320 HydrophobicContact CZ2-CB 4.3Å; W298-V322 HydrophobicContact CH2-CG2 4.16Å; W298-V322 HydrophobicContact CZ3-CG2 4.17Å
299Q96.5Very high93.9Very high100 Ų10070.8 Ų70.847%0.46733%0.334SS..EExtended strand (participates in β ladder)trans-92.4104.7169.6-61.3174.43.300108.4A309 R310Q299-A309 WeakPolarHBondContact O-CA 3.43Å; Q299-R310 HydrophobicContact CB-CB 4.47Å; Q299-R310 PolarHBondContact N-O 3.15Å; Q299-R310 PolarHBondContact O-N 3.01Å
300I96.6Very high94Very high63 Ų6373.2 Ų73.232%0.32333%0.332SS..EExtended strand (participates in β ladder)trans-107.3110.1-175-50.4179.5000109.2E147 V148 W298 T302 M307 A309E147-I300 HydrophobicContact CB-CD1 3.8Å; V148-I300 HydrophobicContact CG2-CD1 3.86Å; V148-I300 HydrophobicContact CG2-CG1 4.47Å; W298-I300 HydrophobicContact CB-CD1 4.42Å; W298-I300 HydrophobicContact CB-CG1 4.16Å; I300-T302 HydrophobicContact CG2-CG2 3.87Å; I300-M307 HydrophobicContact CG2-CG 3.98Å; I300-M307 HydrophobicContact CG2-SD 3.83Å; I300-A309 HydrophobicContact CG1-CB 4.12Å; I300-A309 HydrophobicContact CG2-CB 4.33Å
301N96.5Very high94.3Very high83 Ų8369.2 Ų69.244%0.44431%0.313SS..EExtended strand (participates in β ladder)trans-98.9116.8167.9-174.51.5000108.9M307 V308N301-M307 WeakPolarHBondContact O-CA 3.44Å; N301-V308 PolarHBondContact N-O 2.74Å; N301-V308 PolarHBondContact O-N 3.27Å
302T94Very high94.6Very high85 Ų8568.9 Ų68.952%0.52131%0.311SS..EExtended strand (participates in β ladder)trans-114.6129.8176.5520000110.2I300 M307I300-T302 HydrophobicContact CG2-CG2 3.87Å; T302-M307 HydrophobicContact CG2-CB 4.14Å; T302-M307 HydrophobicContact CG2-CG 3.77Å; T302-M307 HydrophobicContact CG2-SD 4.11Å
303E93Very high95.2Very high60 Ų6064.7 Ų64.728%0.2829%0.292SS..EExtended strand (participates in β ladder)trans-125.9173.9174.3-61.5169.2169.600108.6R151 Q305 G306 R327R151-E303 PolarHBondContact NH1-O 3.09Å; R151-E303 PolarHBondContact NH2-O 3.13Å; E303-Q305 VanDerWaalsContact C-N 3.27Å; E303-Q305 VanDerWaalsContact CB-CD 3.46Å; E303-Q305 HydrophobicContact CB-CG 4.05Å; E303-Q305 PolarHBondContact O-N 3.15Å; E303-Q305 PolarHBondContact OE2-NE2 3.41Å; E303-G306 PolarHBondContact N-O 2.83Å; E303-G306 PolarHBondContact O-N 3.14Å; E303-R327 IonicContact OE1-NH1 3.47Å; E303-R327 IonicContact OE2-NH1 2.72Å; E303-R327 PolarHBondContact OE2-NH1 3.45Å
304R90.3Very high95.4Very high232 Ų23267.2 Ų67.288%0.87531%0.312SS*.THydrogen-bonded Turntrans-61.3-41.3176.3-173.6176.9178.6177.6-0.2111.2R151 G306R151-R304 PolarHBondContact NH2-O 2.91Å; R304-G306 VanDerWaalsContact C-N 3.31Å; R304-G306 PolarHBondContact O-N 3.08Å
305Q90.7Very high95.6Very high86 Ų8661.7 Ų61.740%0.40230%0.3SS..THydrogen-bonded Turntrans-75.4-9-178.158.1-90.323.900115.2E303 E325 D326E303-Q305 VanDerWaalsContact C-N 3.27Å; E303-Q305 VanDerWaalsContact CB-CD 3.46Å; E303-Q305 HydrophobicContact CB-CG 4.05Å; E303-Q305 PolarHBondContact O-N 3.15Å; E303-Q305 PolarHBondContact OE2-NE2 3.41Å; Q305-E325 WeakPolarHBondContact O-CB 3.44Å; Q305-D326 HydrophobicContact CB-CB 4.15Å; Q305-D326 WeakPolarHBondContact CB-OD2 3.33Å; Q305-D326 VanDerWaalsContact O-CB 3.31Å; Q305-D326 WeakPolarHBondContact O-CB 3.37Å; Q305-D326 PolarHBondContact O-N 3.14Å
306G95.2Very high95.6Very high0 Ų063.8 Ų63.80%031%0.311CS..EExtended strand (participates in β ladder)trans148.9-172.617700000113.9E303 R304 E325E303-G306 PolarHBondContact N-O 2.83Å; E303-G306 PolarHBondContact O-N 3.14Å; R304-G306 VanDerWaalsContact C-N 3.31Å; R304-G306 PolarHBondContact O-N 3.08Å; G306-E325 WeakPolarHBondContact CA-OE2 3.35Å
307M97Very high95.6Very high2 Ų267.1 Ų67.11%0.0133%0.326CS..EExtended strand (participates in β ladder)trans-126.1145.2-174.9178.8-176.271.500111.2V148 I300 N301 T302 A309 V322 V323 S324 R327V148-M307 HydrophobicContact CG1-CE 3.86Å; I300-M307 HydrophobicContact CG2-CG 3.98Å; I300-M307 HydrophobicContact CG2-SD 3.83Å; N301-M307 WeakPolarHBondContact O-CA 3.44Å; T302-M307 HydrophobicContact CG2-CB 4.14Å; T302-M307 HydrophobicContact CG2-CG 3.77Å; T302-M307 HydrophobicContact CG2-SD 4.11Å; M307-A309 HydrophobicContact CE-CB 4.27Å; M307-A309 HydrophobicContact SD-CB 4.36Å; M307-V322 HydrophobicContact CE-CB 4.34Å; M307-V322 HydrophobicContact CE-CG1 3.97Å; M307-V323 CarbonylContact O-C 3.58Å; M307-V323 VanDerWaalsContact O-CA 3.25Å; M307-V323 WeakPolarHBondContact O-CA 3.44Å; M307-S324 WeakPolarHBondContact CB-OG 3.4Å; M307-S324 PolarHBondContact N-OG 3.23Å; M307-S324 PolarHBondContact O-N 3.32Å; M307-R327 WeakPolarHBondContact O-CB 3.48Å
308V98Very high95.7Very high10 Ų1062.2 Ų62.26%0.06131%0.309CS..EExtended strand (participates in β ladder)trans-124113.9160.5-176.30000108N301 R310 V323 R327 L334N301-V308 PolarHBondContact N-O 2.74Å; N301-V308 PolarHBondContact O-N 3.27Å; V308-R310 HydrophobicContact CG1-CG 4.02Å; V308-V323 HydrophobicContact CB-CG1 4.4Å; V308-V323 HydrophobicContact CG1-CG1 4.12Å; V308-V323 HydrophobicContact CG2-CG1 4.11Å; V308-R327 HydrophobicContact CG2-CB 3.67Å; V308-R327 HydrophobicContact CG2-CG 3.92Å; V308-L334 HydrophobicContact CG1-CD1 4.19Å
309A97.9Very high95.8Very high0 Ų061.9 Ų61.90%031%0.307CS..EExtended strand (participates in β ladder)trans-108.9123.6172.900000109V148 W298 Q299 I300 M307 F321 V322V148-A309 HydrophobicContact CG1-CB 3.77Å; V148-A309 HydrophobicContact CG2-CB 4.16Å; W298-A309 HydrophobicContact CE3-CB 3.84Å; W298-A309 HydrophobicContact CZ3-CB 3.92Å; Q299-A309 WeakPolarHBondContact O-CA 3.43Å; I300-A309 HydrophobicContact CG1-CB 4.12Å; I300-A309 HydrophobicContact CG2-CB 4.33Å; M307-A309 HydrophobicContact CE-CB 4.27Å; M307-A309 HydrophobicContact SD-CB 4.36Å; A309-F321 CarbonylContact O-C 3.54Å; A309-F321 WeakPolarHBondContact O-CA 3.48Å; A309-F321 WeakPolarHBondContact O-CB 3.36Å; A309-V322 HydrophobicContact CB-CB 4.26Å; A309-V322 PolarHBondContact N-O 3.33Å; A309-V322 PolarHBondContact O-N 3.49Å
310R98.2Very high95.8Very high88 Ų8857.1 Ų57.133%0.33229%0.285SS..EExtended strand (participates in β ladder)trans-115.8116.9-179.7-59.4177.688.7123.7-0109W298 Q299 V308 L318 L334W298-R310 WeakPolarHBondContact CA-O 3.22Å; Q299-R310 HydrophobicContact CB-CB 4.47Å; Q299-R310 PolarHBondContact N-O 3.15Å; Q299-R310 PolarHBondContact O-N 3.01Å; V308-R310 HydrophobicContact CG1-CG 4.02Å; R310-L318 HydrophobicContact CB-CD1 3.62Å; R310-L318 HydrophobicContact CG-CD1 4.06Å; R310-L334 VanDerWaalsContact NH2-CD2 3.26Å
311G97.9Very high95.9Very high0 Ų054.1 Ų54.10%027%0.27CS..EExtended strand (participates in β ladder)trans-88.711017100000109.3R319 A320G311-R319 PolarHBondContact O-N 3.36Å; G311-A320 PolarHBondContact N-O 2.83Å; G311-A320 PolarHBondContact O-N 2.83Å; G311-A320 VanDerWaalsContact O-N 3.16Å
312V97.7Very high96Very high7 Ų750.2 Ų50.24%0.04225%0.249CC..EExtended strand (participates in β ladder)trans-109.3146.6177.5-60.20000110.9L296 R297 Q317 L318L296-V312 CarbonylContact C-O 3.56Å; L296-V312 WeakPolarHBondContact CA-O 3.46Å; R297-V312 HydrophobicContact CB-CG2 4.26Å; R297-V312 PolarHBondContact N-O 3.19Å; R297-V312 WeakPolarHBondContact O-CG2 3.2Å; R297-V312 PolarHBondContact O-N 3.34Å; V312-Q317 WeakPolarHBondContact CA-O 3.46Å; V312-L318 HydrophobicContact CG1-CD1 4.42Å
313D96.5Very high96.2Very high17 Ų1746.1 Ų46.19%0.09122%0.224CC..  trans-82.2-172.6174.163.719.2000112.2R297 A315 D316 Q317 R319R297-D313 PolarHBondContact NH2-O 3Å; D313-A315 PolarHBondContact O-N 2.92Å; D313-A315 WeakPolarHBondContact OD1-CA 3.42Å; D313-A315 WeakPolarHBondContact OD1-CB 3.21Å; D313-A315 PolarHBondContact OD1-N 3.17Å; D313-D316 PolarHBondContact O-N 2.87Å; D313-D316 VanDerWaalsContact O-N 3.09Å; D313-D316 PolarHBondContact OD1-N 2.83Å; D313-Q317 PolarHBondContact N-O 3.16Å; D313-Q317 WeakPolarHBondContact OD1-CB 3.3Å; D313-Q317 PolarHBondContact OD1-N 3.33Å; D313-R319 HydrophobicContact CB-CG 3.88Å; D313-R319 WeakPolarHBondContact OD2-CD 3.32Å
314D94.6Very high96.4Very high133 Ų13343.3 Ų43.371%0.71121%0.211SC*.THydrogen-bonded Turntrans-65.3-17178.4-68.4-29.1000113.7D316D314-D316 VanDerWaalsContact C-N 3.35Å
315A95.1Very high96.7Very high84 Ų8434.3 Ų34.369%0.69418%0.178SC*.THydrogen-bonded Turntrans-9512.2175.100000112.8D313 Q317D313-A315 PolarHBondContact O-N 2.92Å; D313-A315 WeakPolarHBondContact OD1-CA 3.42Å; D313-A315 WeakPolarHBondContact OD1-CB 3.21Å; D313-A315 PolarHBondContact OD1-N 3.17Å; A315-Q317 PolarHBondContact O-N 3.47Å; A315-Q317 VanDerWaalsContact O-N 3.15Å
316D94.4Very high96.9Very high103 Ų10335 Ų3555%0.55119%0.185SC*.  trans57.320-173.2-69.7-47.4000113.6R297 D313 D314R297-D316 IonicContact CZ-OD1 3.92Å; R297-D316 IonicContact NH1-OD1 3.67Å; R297-D316 IonicContact NH2-OD1 2.95Å; R297-D316 PolarHBondContact NH2-OD1 2.92Å; D313-D316 PolarHBondContact O-N 2.87Å; D313-D316 VanDerWaalsContact O-N 3.09Å; D313-D316 PolarHBondContact OD1-N 2.83Å; D314-D316 VanDerWaalsContact C-N 3.35Å
317Q96.2Very high97Very high87 Ų8737.6 Ų37.641%0.40720%0.195SC..  trans-80.6134.1175-176.8176.662.400110V312 D313 A315 R319V312-Q317 WeakPolarHBondContact CA-O 3.46Å; D313-Q317 PolarHBondContact N-O 3.16Å; D313-Q317 WeakPolarHBondContact OD1-CB 3.3Å; D313-Q317 PolarHBondContact OD1-N 3.33Å; A315-Q317 PolarHBondContact O-N 3.47Å; A315-Q317 VanDerWaalsContact O-N 3.15Å; Q317-R319 PolarHBondContact O-N 2.88Å
318L97.5Very high96.9Very high13 Ų1339.6 Ų39.67%0.06821%0.205CC..EExtended strand (participates in β ladder)trans-65.9117.7173.1-172.173.9000110.1R310 V312 A320 F321 L334 T337 L338 P339R310-L318 HydrophobicContact CB-CD1 3.62Å; R310-L318 HydrophobicContact CG-CD1 4.06Å; V312-L318 HydrophobicContact CG1-CD1 4.42Å; L318-A320 VanDerWaalsContact CD1-O 3.24Å; L318-A320 WeakPolarHBondContact CD1-O 3.46Å; L318-F321 HydrophobicContact CD2-CD1 4.38Å; L318-L334 HydrophobicContact CD2-CB 4.32Å; L318-L334 HydrophobicContact CD2-CD2 4.12Å; L318-T337 VanDerWaalsContact CD2-OG1 3.29Å; L318-T337 WeakPolarHBondContact CD2-OG1 3.16Å; L318-L338 HydrophobicContact CD2-CD2 3.97Å; L318-L338 HydrophobicContact CG-CD2 3.85Å; L318-P339 WeakPolarHBondContact O-CD 3.35Å
319R97.4Very high96.8Very high47 Ų4747 Ų4718%0.17724%0.236CC..EExtended strand (participates in β ladder)trans-109-23.9175.9-58.4-55.3-63.1-157.60.2112.9G289 E290 L296 G311 D313 Q317 L338G289-R319 CarbonylContact C-O 3.55Å; G289-R319 VanDerWaalsContact CA-O 3.31Å; G289-R319 WeakPolarHBondContact CA-O 3.28Å; E290-R319 PolarHBondContact N-O 3.01Å; E290-R319 IonicContact OE1-NH2 3.1Å; E290-R319 IonicContact OE2-CZ 2.73Å; E290-R319 IonicContact OE2-NE 3.89Å; E290-R319 PolarHBondContact OE2-NE 3.22Å; E290-R319 IonicContact OE2-NH2 3.54Å; E290-R319 PolarHBondContact OE2-NH2 3.07Å; L296-R319 HydrophobicContact CD1-CB 4.46Å; L296-R319 HydrophobicContact CD2-CB 3.63Å; L296-R319 HydrophobicContact CD2-CG 3.88Å; G311-R319 PolarHBondContact O-N 3.36Å; D313-R319 HydrophobicContact CB-CG 3.88Å; D313-R319 WeakPolarHBondContact OD2-CD 3.32Å; Q317-R319 PolarHBondContact O-N 2.88Å; R319-L338 VanDerWaalsContact C-CD2 3.44Å; R319-L338 WeakPolarHBondContact O-CD2 3.33Å
320A97.6Very high96.7Very high0 Ų049.5 Ų49.50%025%0.248CC..EExtended strand (participates in β ladder)trans-153.1157.2177.700000111.7A288 T291 L296 W298 G311 L318A288-A320 WeakPolarHBondContact O-CA 3.5Å; T291-A320 HydrophobicContact CG2-CB 3.74Å; L296-A320 HydrophobicContact CD1-CB 3.9Å; W298-A320 HydrophobicContact CH2-CB 4.02Å; W298-A320 HydrophobicContact CZ2-CB 4.3Å; G311-A320 PolarHBondContact N-O 2.83Å; G311-A320 PolarHBondContact O-N 2.83Å; G311-A320 VanDerWaalsContact O-N 3.16Å; L318-A320 VanDerWaalsContact CD1-O 3.24Å; L318-A320 WeakPolarHBondContact CD1-O 3.46Å
321F98.2Very high96.7Very high0 Ų045.3 Ų45.30%023%0.232CC..EExtended strand (participates in β ladder)trans-146.8158.4168.170.1-92.2000112.2L275 L287 A288 A309 L318 V323 A331 L334 L335 L338L275-F321 HydrophobicContact CD1-CE2 4.07Å; L275-F321 HydrophobicContact CD1-CZ 3.82Å; L287-F321 VanDerWaalsContact CA-O 3.24Å; L287-F321 WeakPolarHBondContact CA-O 3.42Å; L287-F321 WeakPolarHBondContact CB-O 3.47Å; A288-F321 HydrophobicContact CB-CD1 4.41Å; A288-F321 HydrophobicContact CB-CE1 3.69Å; A288-F321 HydrophobicContact CB-CZ 3.82Å; A288-F321 PolarHBondContact N-O 2.95Å; A288-F321 PolarHBondContact O-N 3.28Å; A309-F321 CarbonylContact O-C 3.54Å; A309-F321 WeakPolarHBondContact O-CA 3.48Å; A309-F321 WeakPolarHBondContact O-CB 3.36Å; L318-F321 HydrophobicContact CD2-CD1 4.38Å; F321-V323 HydrophobicContact CD2-CG1 4.11Å; F321-V323 HydrophobicContact CD2-CG2 4.41Å; F321-V323 HydrophobicContact CE2-CG2 4.21Å; F321-A331 HydrophobicContact CE2-CB 4.06Å; F321-A331 HydrophobicContact CZ-CB 4.37Å; F321-A331 VanDerWaalsContact CZ-O 3.3Å; F321-A331 WeakPolarHBondContact CZ-O 3.32Å; F321-L334 HydrophobicContact CB-CD1 4.07Å; F321-L334 HydrophobicContact CD1-CB 3.52Å; F321-L334 HydrophobicContact CD1-CD1 4.37Å; F321-L334 HydrophobicContact CD2-CB 4.12Å; F321-L334 HydrophobicContact CD2-CD1 3.67Å; F321-L334 HydrophobicContact CE1-CB 3.53Å; F321-L334 HydrophobicContact CE2-CB 4.14Å; F321-L334 HydrophobicContact CE2-CD1 4.19Å; F321-L334 HydrophobicContact CG-CB 3.82Å; F321-L334 HydrophobicContact CG-CD1 3.77Å; F321-L334 HydrophobicContact CG-CG 4.39Å; F321-L334 HydrophobicContact CZ-CB 3.85Å; F321-L335 HydrophobicContact CE1-CB 4.25Å; F321-L335 HydrophobicContact CE1-CD1 4.36Å; F321-L335 HydrophobicContact CZ-CB 4.26Å; F321-L335 HydrophobicContact CZ-CD1 4.45Å; F321-L338 HydrophobicContact CD1-CD1 4.08Å; F321-L338 HydrophobicContact CD1-CG 4.38Å; F321-L338 HydrophobicContact CE1-CD1 3.87Å; F321-L338 HydrophobicContact CE1-CG 4.39Å
322V98.1Very high96.5Very high0 Ų052 Ų520%026%0.261CS..EExtended strand (participates in β ladder)trans-132.3132.5167.2-173.70000108.3M144 V148 L285 H286 L287 W298 M307 A309M144-V322 HydrophobicContact CB-CG2 4.4Å; M144-V322 HydrophobicContact CE-CG1 4.25Å; M144-V322 HydrophobicContact CE-CG2 4.31Å; M144-V322 HydrophobicContact SD-CG1 4.32Å; M144-V322 HydrophobicContact SD-CG2 4.4Å; V148-V322 HydrophobicContact CG1-CB 3.63Å; V148-V322 HydrophobicContact CG1-CG1 4.01Å; V148-V322 HydrophobicContact CG1-CG2 3.57Å; L285-V322 HydrophobicContact CB-CG1 4.42Å; L285-V322 HydrophobicContact CD2-CG1 3.87Å; H286-V322 CarbonylContact O-C 3.53Å; H286-V322 WeakPolarHBondContact O-CA 3.31Å; L287-V322 HydrophobicContact CB-CB 4.45Å; L287-V322 HydrophobicContact CB-CG1 4.45Å; L287-V322 HydrophobicContact CB-CG2 3.86Å; W298-V322 HydrophobicContact CH2-CG2 4.16Å; W298-V322 HydrophobicContact CZ3-CG2 4.17Å; M307-V322 HydrophobicContact CE-CB 4.34Å; M307-V322 HydrophobicContact CE-CG1 3.97Å; A309-V322 HydrophobicContact CB-CB 4.26Å; A309-V322 PolarHBondContact N-O 3.33Å; A309-V322 PolarHBondContact O-N 3.49Å
323V98.2Very high96.5Very high0 Ų053.9 Ų53.90%028%0.282CS..EExtended strand (participates in β ladder)trans-127143.3174.5-67.60000110.6L285 H286 M307 V308 F321 R327 M328 A331 L334L285-V323 VanDerWaalsContact CA-O 3.31Å; L285-V323 WeakPolarHBondContact CA-O 3.31Å; H286-V323 HydrophobicContact CB-CG2 3.91Å; H286-V323 PolarHBondContact N-O 3.14Å; H286-V323 PolarHBondContact O-N 3.42Å; M307-V323 CarbonylContact O-C 3.58Å; M307-V323 VanDerWaalsContact O-CA 3.25Å; M307-V323 WeakPolarHBondContact O-CA 3.44Å; V308-V323 HydrophobicContact CB-CG1 4.4Å; V308-V323 HydrophobicContact CG1-CG1 4.12Å; V308-V323 HydrophobicContact CG2-CG1 4.11Å; F321-V323 HydrophobicContact CD2-CG1 4.11Å; F321-V323 HydrophobicContact CD2-CG2 4.41Å; F321-V323 HydrophobicContact CE2-CG2 4.21Å; V323-R327 HydrophobicContact CB-CB 4.44Å; V323-M328 HydrophobicContact CG2-CG 4.34Å; V323-A331 HydrophobicContact CG2-CB 3.87Å; V323-L334 HydrophobicContact CG1-CD1 3.76Å
324S97.9Very high96.5Very high0 Ų053.4 Ų53.40%028%0.28CS..EExtended strand (participates in β ladder)trans-123.3156.3176.976.80000113.2P284 M307 D326 R327P284-S324 WeakPolarHBondContact O-CA 3.22Å; P284-S324 WeakPolarHBondContact O-CB 3.22Å; M307-S324 WeakPolarHBondContact CB-OG 3.4Å; M307-S324 PolarHBondContact N-OG 3.23Å; M307-S324 PolarHBondContact O-N 3.32Å; S324-D326 PolarHBondContact O-N 3Å; S324-R327 WeakPolarHBondContact O-CB 3.37Å; S324-R327 PolarHBondContact O-N 3.32Å
325E95.5Very high96.6Very high43 Ų4348.6 Ų48.620%0.20125%0.254CS..G310 helixtrans52-126.8168.3-61.9150.694.600112.1R151 L283 P284 Q305 G306 R327 M328R151-E325 IonicContact CZ-OE1 2.85Å; R151-E325 IonicContact CZ-OE2 2.82Å; R151-E325 VanDerWaalsContact CZ-OE2 3.3Å; R151-E325 IonicContact NE-OE1 3.89Å; R151-E325 IonicContact NE-OE2 3.64Å; R151-E325 PolarHBondContact NE-OE2 3.44Å; R151-E325 IonicContact NH2-OE1 3.98Å; R151-E325 PolarHBondContact NH2-OE1 3.24Å; R151-E325 IonicContact NH2-OE2 3.75Å; R151-E325 PolarHBondContact NH2-OE2 3.38Å; L283-E325 HydrophobicContact CG-CG 4.33Å; P284-E325 PolarHBondContact O-N 3.45Å; P284-E325 VanDerWaalsContact O-N 3.09Å; Q305-E325 WeakPolarHBondContact O-CB 3.44Å; G306-E325 WeakPolarHBondContact CA-OE2 3.35Å; E325-R327 PolarHBondContact O-N 2.74Å; E325-M328 VanDerWaalsContact O-CB 3.29Å; E325-M328 WeakPolarHBondContact O-CB 3.38Å; E325-M328 VanDerWaalsContact O-CG 3.29Å; E325-M328 WeakPolarHBondContact O-CG 3.35Å; E325-M328 PolarHBondContact O-N 2.86Å
326D96.1Very high96.5Very high102 Ų10253.4 Ų53.455%0.54526%0.259SS..G310 helixtrans-68.7-16.9-175.7-65.6-17.3000113.2Q305 S324 M328 K329Q305-D326 HydrophobicContact CB-CB 4.15Å; Q305-D326 WeakPolarHBondContact CB-OD2 3.33Å; Q305-D326 VanDerWaalsContact O-CB 3.31Å; Q305-D326 WeakPolarHBondContact O-CB 3.37Å; Q305-D326 PolarHBondContact O-N 3.14Å; S324-D326 PolarHBondContact O-N 3Å; D326-M328 VanDerWaalsContact C-N 3.27Å; D326-K329 VanDerWaalsContact O-CD 3.31Å; D326-K329 WeakPolarHBondContact O-CD 2.9Å; D326-K329 VanDerWaalsContact O-CE 3.29Å; D326-K329 WeakPolarHBondContact O-CE 3.17Å; D326-K329 WeakPolarHBondContact O-CG 3.36Å
327R96.8Very high96.5Very high53 Ų5352.1 Ų52.120%0.226%0.255CS..G310 helixtrans-80.5-8.2176.1-51.1-57-59.3-149.45.8112.1E303 M307 V308 V323 S324 E325 K329 E330E303-R327 IonicContact OE1-NH1 3.47Å; E303-R327 IonicContact OE2-NH1 2.72Å; E303-R327 PolarHBondContact OE2-NH1 3.45Å; M307-R327 WeakPolarHBondContact O-CB 3.48Å; V308-R327 HydrophobicContact CG2-CB 3.67Å; V308-R327 HydrophobicContact CG2-CG 3.92Å; V323-R327 HydrophobicContact CB-CB 4.44Å; S324-R327 WeakPolarHBondContact O-CB 3.37Å; S324-R327 PolarHBondContact O-N 3.32Å; E325-R327 PolarHBondContact O-N 2.74Å; R327-K329 PolarHBondContact O-N 2.8Å; R327-K329 VanDerWaalsContact O-N 3.08Å; R327-E330 IonicContact CZ-OE1 3.24Å; R327-E330 IonicContact CZ-OE2 3.94Å; R327-E330 IonicContact NE-OE1 3.96Å; R327-E330 PolarHBondContact NE-OE1 3.02Å; R327-E330 IonicContact NH2-OE1 3.19Å; R327-E330 PolarHBondContact NH2-OE1 2.93Å; R327-E330 IonicContact NH2-OE2 3.49Å; R327-E330 PolarHBondContact NH2-OE2 2.79Å; R327-E330 WeakPolarHBondContact O-CB 3.4Å; R327-E330 PolarHBondContact O-N 3.31Å
328M95.7Very high96.4Very high45 Ų4548.7 Ų48.722%0.22224%0.24CC..G310 helixtrans-58.4-23.4174.8-72.4-166.2-59.200113.7P284 V323 E325 D326 E330 A331P284-M328 HydrophobicContact CB-CE 3.7Å; P284-M328 HydrophobicContact CB-SD 3.71Å; P284-M328 HydrophobicContact CG-CE 3.36Å; P284-M328 HydrophobicContact CG-SD 3.89Å; V323-M328 HydrophobicContact CG2-CG 4.34Å; E325-M328 VanDerWaalsContact O-CB 3.29Å; E325-M328 WeakPolarHBondContact O-CB 3.38Å; E325-M328 VanDerWaalsContact O-CG 3.29Å; E325-M328 WeakPolarHBondContact O-CG 3.35Å; E325-M328 PolarHBondContact O-N 2.86Å; D326-M328 VanDerWaalsContact C-N 3.27Å; M328-E330 PolarHBondContact O-N 2.93Å; M328-A331 WeakPolarHBondContact O-CB 3.43Å; M328-A331 PolarHBondContact O-N 2.96Å; M328-A331 VanDerWaalsContact O-N 3.1Å
329K95.2Very high95.9Very high166 Ų16650.1 Ų50.172%0.72225%0.249SC*.G310 helixtrans-61.7-22.8173.968.6-166.2173.3-170.50113.7D326 R327 A331D326-K329 VanDerWaalsContact O-CD 3.31Å; D326-K329 WeakPolarHBondContact O-CD 2.9Å; D326-K329 VanDerWaalsContact O-CE 3.29Å; D326-K329 WeakPolarHBondContact O-CE 3.17Å; D326-K329 WeakPolarHBondContact O-CG 3.36Å; R327-K329 PolarHBondContact O-N 2.8Å; R327-K329 VanDerWaalsContact O-N 3.08Å; K329-A331 VanDerWaalsContact C-N 3.34Å
330E96.3Very high94.4Very high52 Ų5257.7 Ų57.724%0.24329%0.289CS..G310 helixtrans-81-14.5176.4-73.5163.9-9000113.4R327 M328 F332 G333 L334R327-E330 IonicContact CZ-OE1 3.24Å; R327-E330 IonicContact CZ-OE2 3.94Å; R327-E330 IonicContact NE-OE1 3.96Å; R327-E330 PolarHBondContact NE-OE1 3.02Å; R327-E330 IonicContact NH2-OE1 3.19Å; R327-E330 PolarHBondContact NH2-OE1 2.93Å; R327-E330 IonicContact NH2-OE2 3.49Å; R327-E330 PolarHBondContact NH2-OE2 2.79Å; R327-E330 WeakPolarHBondContact O-CB 3.4Å; R327-E330 PolarHBondContact O-N 3.31Å; M328-E330 PolarHBondContact O-N 2.93Å; E330-F332 VanDerWaalsContact C-N 3.28Å; E330-F332 PolarHBondContact O-N 2.92Å; E330-G333 PolarHBondContact O-N 2.7Å; E330-L334 HydrophobicContact CB-CD1 4.31Å; E330-L334 WeakPolarHBondContact O-CG 3.33Å; E330-L334 PolarHBondContact O-N 3.13Å
331A97.1Very high94.3Very high0 Ų060.6 Ų60.60%030%0.304CS..Hα-helixtrans-51.1-47.2-174.700000112.2L275 H286 F321 V323 M328 K329 G333 L334 L335L275-A331 HydrophobicContact CD1-CB 4.09Å; L275-A331 HydrophobicContact CD2-CB 4.18Å; H286-A331 HydrophobicContact CB-CB 4.33Å; F321-A331 HydrophobicContact CE2-CB 4.06Å; F321-A331 HydrophobicContact CZ-CB 4.37Å; F321-A331 VanDerWaalsContact CZ-O 3.3Å; F321-A331 WeakPolarHBondContact CZ-O 3.32Å; V323-A331 HydrophobicContact CG2-CB 3.87Å; M328-A331 WeakPolarHBondContact O-CB 3.43Å; M328-A331 PolarHBondContact O-N 2.96Å; M328-A331 VanDerWaalsContact O-N 3.1Å; K329-A331 VanDerWaalsContact C-N 3.34Å; A331-G333 VanDerWaalsContact C-N 3.34Å; A331-G333 PolarHBondContact O-N 2.96Å; A331-L334 PolarHBondContact O-N 3.47Å; A331-L335 VanDerWaalsContact O-CB 3.23Å; A331-L335 WeakPolarHBondContact O-CB 3.3Å; A331-L335 PolarHBondContact O-N 3.43Å
332F94.8Very high94.1Very high139 Ų13963.8 Ų63.861%0.6132%0.32SS*.Hα-helixtrans-66.7-34.1-179.5-73.9-75000113.4E330 K336E330-F332 VanDerWaalsContact C-N 3.28Å; E330-F332 PolarHBondContact O-N 2.92Å; F332-K336 WeakPolarHBondContact O-CG 3.49Å; F332-K336 PolarHBondContact O-N 3.22Å
333G96.3Very high93.8Very high47 Ų4767.3 Ų67.349%0.48534%0.338SS..Hα-helixtrans-66.2-47.8175.100000110.9E330 A331 K336E330-G333 PolarHBondContact O-N 2.7Å; A331-G333 VanDerWaalsContact C-N 3.34Å; A331-G333 PolarHBondContact O-N 2.96Å; G333-K336 PolarHBondContact O-N 2.68Å
334L97.3Very high93.6Very high8 Ų871.3 Ų71.34%0.04236%0.357CS..Hα-helixtrans-64-42.4177.6-63.3171.7000112.1V308 R310 L318 F321 V323 E330 A331 K336 T337 L338V308-L334 HydrophobicContact CG1-CD1 4.19Å; R310-L334 VanDerWaalsContact NH2-CD2 3.26Å; L318-L334 HydrophobicContact CD2-CB 4.32Å; L318-L334 HydrophobicContact CD2-CD2 4.12Å; F321-L334 HydrophobicContact CB-CD1 4.07Å; F321-L334 HydrophobicContact CD1-CB 3.52Å; F321-L334 HydrophobicContact CD1-CD1 4.37Å; F321-L334 HydrophobicContact CD2-CB 4.12Å; F321-L334 HydrophobicContact CD2-CD1 3.67Å; F321-L334 HydrophobicContact CE1-CB 3.53Å; F321-L334 HydrophobicContact CE2-CB 4.14Å; F321-L334 HydrophobicContact CE2-CD1 4.19Å; F321-L334 HydrophobicContact CG-CB 3.82Å; F321-L334 HydrophobicContact CG-CD1 3.77Å; F321-L334 HydrophobicContact CG-CG 4.39Å; F321-L334 HydrophobicContact CZ-CB 3.85Å; V323-L334 HydrophobicContact CG1-CD1 3.76Å; E330-L334 HydrophobicContact CB-CD1 4.31Å; E330-L334 WeakPolarHBondContact O-CG 3.33Å; E330-L334 PolarHBondContact O-N 3.13Å; A331-L334 PolarHBondContact O-N 3.47Å; L334-K336 VanDerWaalsContact C-N 3.26Å; L334-K336 PolarHBondContact O-N 3.4Å; L334-T337 PolarHBondContact O-N 3.15Å; L334-T337 PolarHBondContact O-OG1 2.87Å; L334-L338 PolarHBondContact O-N 3.34Å
335L96.5Very high93.3Very high31 Ų3175.8 Ų75.816%0.16238%0.38CS..Hα-helixtrans-56.7-38.8179.8-168.471.8000112.4A273 A288 F321 A331 T337 L338A273-L335 HydrophobicContact CB-CD1 3.72Å; A273-L335 HydrophobicContact CB-CG 4.24Å; A288-L335 HydrophobicContact CB-CD1 3.39Å; F321-L335 HydrophobicContact CE1-CB 4.25Å; F321-L335 HydrophobicContact CE1-CD1 4.36Å; F321-L335 HydrophobicContact CZ-CB 4.26Å; F321-L335 HydrophobicContact CZ-CD1 4.45Å; A331-L335 VanDerWaalsContact O-CB 3.23Å; A331-L335 WeakPolarHBondContact O-CB 3.3Å; A331-L335 PolarHBondContact O-N 3.43Å; L335-T337 PolarHBondContact O-N 2.75Å; L335-L338 HydrophobicContact CD1-CD1 4.24Å; L335-L338 PolarHBondContact O-N 3.03Å
336K93.7Very high93.2Very high186 Ų18677.9 Ų77.981%0.80939%0.392SS*.THydrogen-bonded Turntrans-69.5-19.6177.3-70.9176.4-179-177.50113.9F332 G333 L334F332-K336 WeakPolarHBondContact O-CG 3.49Å; F332-K336 PolarHBondContact O-N 3.22Å; G333-K336 PolarHBondContact O-N 2.68Å; L334-K336 VanDerWaalsContact C-N 3.26Å; L334-K336 PolarHBondContact O-N 3.4Å
337T93.8Very high93Very high76 Ų7676.2 Ų76.247%0.46638%0.381SS..THydrogen-bonded Turntrans-92.3-10.2179.363.80000113.2L318 L334 L335L318-T337 VanDerWaalsContact CD2-OG1 3.29Å; L318-T337 WeakPolarHBondContact CD2-OG1 3.16Å; L334-T337 PolarHBondContact O-N 3.15Å; L334-T337 PolarHBondContact O-OG1 2.87Å; L335-T337 PolarHBondContact O-N 2.75Å
338L94.6Very high92.7Very high15 Ų1578 Ų788%0.07940%0.395CS..SBendtrans-68.7138.6174.5-70.4178.9000110.1A273 A288 L318 R319 F321 L334 L335A273-L338 HydrophobicContact CB-CB 4.22Å; A273-L338 HydrophobicContact CB-CD1 4.15Å; A288-L338 HydrophobicContact CB-CD1 3.82Å; L318-L338 HydrophobicContact CD2-CD2 3.97Å; L318-L338 HydrophobicContact CG-CD2 3.85Å; R319-L338 VanDerWaalsContact C-CD2 3.44Å; R319-L338 WeakPolarHBondContact O-CD2 3.33Å; F321-L338 HydrophobicContact CD1-CD1 4.08Å; F321-L338 HydrophobicContact CD1-CG 4.38Å; F321-L338 HydrophobicContact CE1-CD1 3.87Å; F321-L338 HydrophobicContact CE1-CG 4.39Å; L334-L338 PolarHBondContact O-N 3.34Å; L335-L338 HydrophobicContact CD1-CD1 4.24Å; L335-L338 PolarHBondContact O-N 3.03Å
339P86.6Confident92.4Very high42 Ų4280.8 Ų80.827%0.27341%0.409SS..  trans-62.9142.4171.524.8-29000109.9L318L318-P339 WeakPolarHBondContact O-CD 3.35Å
340M66.7Low92.2Very high207 Ų20773 Ų73100%1.0238%0.381SS*.  trans-760174.8-79.6-168.762.900112.5

Retrieved 340 of 340 residues in 261.8 ms (Link to these results)

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