A0A068LKQ2_HUMAN Loading...

Ig heavy chain variable region

AlphaFold DB , UniProt , Accession A0A068LKQ2, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 120 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
1Q84Confident95.6Very high196 Ų19673.8 Ų73.892%0.91642%0.417SS*.  0141.60-173.2173.210.400108
2L92.4Very high95.8Very high20 Ų2068.3 Ų68.311%0.10539%0.386CS..  trans-69.3132.4178.6-175.276.6000109.9V24 S25 Y109L2-V24 HydrophobicContact CD1-CG1 3.63Å; L2-S25 WeakPolarHBondContact CA-O 3.43Å; L2-Y109 HydrophobicContact CB-CD1 3.93Å; L2-Y109 HydrophobicContact CB-CE1 3.72Å; L2-Y109 HydrophobicContact CD2-CD1 3.86Å; L2-Y109 HydrophobicContact CD2-CD2 3.71Å; L2-Y109 HydrophobicContact CD2-CE1 4.18Å; L2-Y109 HydrophobicContact CD2-CE2 4.1Å; L2-Y109 HydrophobicContact CD2-CG 3.6Å; L2-Y109 HydrophobicContact CG-CD1 4.22Å; L2-Y109 HydrophobicContact CG-CE1 4.45Å; L2-Y109 HydrophobicContact CG-CG 4.41Å
3Q96.1Very high95.9Very high117 Ų11773.3 Ų73.355%0.54740%0.401SS..EExtended strand (participates in β ladder)trans-133.6147.5174.1-59.2179-14.400110.6S25Q3-S25 WeakPolarHBondContact CB-OG 3.34Å; Q3-S25 PolarHBondContact N-O 3.25Å; Q3-S25 PolarHBondContact O-N 3.05Å
4L98.1Very high96Very high11 Ų1170.5 Ų70.56%0.05839%0.393CS..EExtended strand (participates in β ladder)trans-119.5130.2177.4-56.1-177.7000108.4G23 V24 W36 G111L4-G23 WeakPolarHBondContact CA-O 3.36Å; L4-V24 HydrophobicContact CD2-CB 4.45Å; L4-V24 HydrophobicContact CD2-CG1 4.28Å; L4-V24 HydrophobicContact CD2-CG2 3.91Å; L4-W36 HydrophobicContact CD2-CE3 4.32Å; L4-W36 HydrophobicContact CD2-CZ3 3.68Å; L4-G111 WeakPolarHBondContact O-CA 3.32Å
5Q98.2Very high96.1Very high141 Ų14175.3 Ų75.366%0.65942%0.416SS*.EExtended strand (participates in β ladder)trans-132109.5-175.9-175.6153.947.600111C22 G23Q5-C22 CarbonylContact O-C 3.49Å; Q5-C22 VanDerWaalsContact O-CA 3.32Å; Q5-C22 WeakPolarHBondContact O-CA 3.26Å; Q5-G23 PolarHBondContact N-O 3.31Å; Q5-G23 PolarHBondContact O-N 3.26Å
6E98.6Very high96.2Very high20 Ų2076.5 Ų76.59%0.09342%0.418CS..EExtended strand (participates in β ladder)trans-70.3146.8174.2-59.385.7166.900111.5T21 W38 Y96 C97 G111 Q112 G113 T114E6-T21 CarbonylContact C-O 3.54Å; E6-T21 VanDerWaalsContact CA-O 3.31Å; E6-T21 WeakPolarHBondContact CA-O 3.27Å; E6-W38 HydrophobicContact CG-CH2 4.17Å; E6-W38 HydrophobicContact CG-CZ3 3.95Å; E6-Y96 VanDerWaalsContact OE1-CA 3.3Å; E6-Y96 WeakPolarHBondContact OE1-CA 3.38Å; E6-C97 HydrophobicContact CG-CB 4.15Å; E6-C97 VanDerWaalsContact CG-SG 3.57Å; E6-C97 PolarHBondContact OE1-N 2.8Å; E6-C97 PolarHBondContact OE1-SG 2.79Å; E6-C97 VanDerWaalsContact OE1-SG 3.34Å; E6-G111 VanDerWaalsContact OE1-CA 3.26Å; E6-G111 WeakPolarHBondContact OE1-CA 3.35Å; E6-Q112 PolarHBondContact OE2-N 3.13Å; E6-G113 PolarHBondContact OE1-N 3.44Å; E6-G113 PolarHBondContact OE2-N 3.31Å; E6-T114 HydrophobicContact CB-CG2 3.76Å; E6-T114 HydrophobicContact CG-CG2 4.44Å
7S97.9Very high96.3Very high60 Ų6076.2 Ų76.242%0.4242%0.419SS..EExtended strand (participates in β ladder)trans-150.3146.7174.1-65.20000109.9L20 T21S7-L20 CarbonylContact O-C 3.58Å; S7-L20 WeakPolarHBondContact O-CA 3.41Å; S7-T21 PolarHBondContact N-O 3.05Å; S7-T21 PolarHBondContact O-N 2.74Å
8G96.8Very high96.4Very high43 Ų4371.9 Ų71.944%0.44340%0.395SS..SBendtrans157.5-174.9-179.900000112.2
9P95.9Very high96.5Very high50 Ų5071.1 Ų71.133%0.32540%0.395SS..  trans-71136.6-178.730-34.5000111.2V12 L18 S19P9-V12 HydrophobicContact CB-CG2 3.88Å; P9-V12 HydrophobicContact CG-CG2 3.51Å; P9-L18 HydrophobicContact CG-CD1 3.72Å; P9-S19 VanDerWaalsContact CD-O 3.24Å; P9-S19 WeakPolarHBondContact CD-O 3.45Å
10G95.9Very high96.6Very high43 Ų4367.6 Ų67.644%0.44338%0.375SS..SBendtrans-79.5-19.4172.300000113.9T117G10-T117 PolarHBondContact O-N 2.6Å
11L97.6Very high96.7Very high111 Ų11166.4 Ų66.458%0.58137%0.37SS*.EExtended strand (participates in β ladder)trans-137.9133.4178.7-177.367.3000109.6T117L11-T117 CarbonylContact C-O 3.58Å; L11-T117 WeakPolarHBondContact CA-O 3.48Å; L11-T117 HydrophobicContact CD1-CG2 3.93Å
12V97.5Very high97.4Very high7 Ų757.1 Ų57.14%0.04233%0.327CS..EExtended strand (participates in β ladder)trans-136.4146.9178-176.50000108.8P9 E16 L18 V87 V116 T117 V118 S119P9-V12 HydrophobicContact CB-CG2 3.88Å; P9-V12 HydrophobicContact CG-CG2 3.51Å; V12-E16 HydrophobicContact CG1-CB 3.79Å; V12-L18 HydrophobicContact CG2-CD1 3.94Å; V12-V87 HydrophobicContact CG1-CG2 3.88Å; V12-V116 HydrophobicContact CG2-CG1 4.31Å; V12-T117 PolarHBondContact N-O 2.71Å; V12-V118 CarbonylContact O-C 3.59Å; V12-V118 VanDerWaalsContact O-CA 3.25Å; V12-V118 WeakPolarHBondContact O-CA 3.43Å; V12-S119 PolarHBondContact O-N 3.22Å
13K97.7Very high97.7Very high134 Ų13457.5 Ų57.558%0.58334%0.336SS*.EExtended strand (participates in β ladder)trans-83.1153.1175.6-61.6178.9178.8176.70111.3E16 V87K13-E16 HydrophobicContact CB-CG 4.07Å; K13-E16 PolarHBondContact N-OE2 3.13Å; K13-E16 VanDerWaalsContact N-OE2 3.17Å; K13-E16 WeakPolarHBondContact O-CB 3.48Å; K13-E16 PolarHBondContact O-N 3.32Å; K13-V87 VanDerWaalsContact O-CG2 3.32Å; K13-V87 WeakPolarHBondContact O-CG2 3.47Å
14A97.6Very high97.8Very high34 Ų3452.4 Ų52.428%0.28131%0.313SS..THydrogen-bonded Turntrans-53.6147.7171.800000111.4E16 V87 V118 S119A14-E16 PolarHBondContact O-N 3.06Å; A14-E16 VanDerWaalsContact O-N 3.14Å; A14-V87 CarbonylContact C-O 3.6Å; A14-V87 WeakPolarHBondContact CA-O 3.24Å; A14-V118 HydrophobicContact CB-CG1 4.44Å; A14-S119 WeakPolarHBondContact CB-O 3.44Å; A14-S119 PolarHBondContact N-O 2.92Å
15L96.9Very high97.7Very high143 Ų14354.5 Ų54.575%0.74933%0.328SS*.THydrogen-bonded Turntrans69.1-8.9-176.4-50.7174.9000115.9V87L15-V87 PolarHBondContact N-O 2.89Å
16E97.6Very high97.5Very high94 Ų9450.9 Ų50.944%0.43933%0.329SS..SBendtrans-75.8179.1173.5-64.2-176.5165.400112.2V12 K13 A14 S86 V87V12-E16 HydrophobicContact CG1-CB 3.79Å; K13-E16 HydrophobicContact CB-CG 4.07Å; K13-E16 PolarHBondContact N-OE2 3.13Å; K13-E16 VanDerWaalsContact N-OE2 3.17Å; K13-E16 WeakPolarHBondContact O-CB 3.48Å; K13-E16 PolarHBondContact O-N 3.32Å; A14-E16 PolarHBondContact O-N 3.06Å; A14-E16 VanDerWaalsContact O-N 3.14Å; E16-S86 PolarHBondContact O-N 2.98Å; E16-S86 VanDerWaalsContact O-N 3.16Å; E16-V87 PolarHBondContact O-N 3.12Å; E16-V87 VanDerWaalsContact O-N 3.13Å
17T98.2Very high97.1Very high71 Ų7151.7 Ų51.744%0.43634%0.342SS..  trans-104.9118.1175.4-60.80000110.2K83 L84 T85T17-K83 HydrophobicContact CG2-CB 4.38Å; T17-L84 CarbonylContact C-O 3.6Å; T17-L84 WeakPolarHBondContact CA-O 3.25Å; T17-T85 HydrophobicContact CG2-CG2 4.09Å
18L98.3Very high96.9Very high0 Ų051.2 Ų51.20%034%0.339CS..EExtended strand (participates in β ladder)trans-74.9128.5167.2170.362.4000109.2P9 V12 L20 K83 L84 V87 Y95 V116P9-L18 HydrophobicContact CG-CD1 3.72Å; V12-L18 HydrophobicContact CG2-CD1 3.94Å; L18-L20 HydrophobicContact CD1-CD2 3.77Å; L18-L20 HydrophobicContact CD1-CG 3.94Å; L18-L20 HydrophobicContact CD2-CD1 4.29Å; L18-L20 HydrophobicContact CD2-CG 4.34Å; L18-L20 HydrophobicContact CG-CD2 4.46Å; L18-L20 HydrophobicContact CG-CG 4.08Å; L18-K83 CarbonylContact O-C 3.58Å; L18-K83 VanDerWaalsContact O-CA 3.31Å; L18-K83 WeakPolarHBondContact O-CA 3.39Å; L18-L84 HydrophobicContact CB-CB 4.34Å; L18-L84 PolarHBondContact N-O 2.99Å; L18-L84 PolarHBondContact O-N 3.36Å; L18-V87 HydrophobicContact CB-CG1 3.78Å; L18-Y95 HydrophobicContact CD2-CE1 4.19Å; L18-Y95 HydrophobicContact CD2-CE2 4.14Å; L18-V116 HydrophobicContact CD1-CG1 3.77Å; L18-V116 HydrophobicContact CD1-CG2 4.11Å; L18-V116 HydrophobicContact CD2-CB 4.47Å; L18-V116 HydrophobicContact CD2-CG1 3.97Å; L18-V116 HydrophobicContact CD2-CG2 4.33Å; L18-V116 HydrophobicContact CG-CG1 4.48Å
19S98.4Very high96.8Very high55 Ų5549.2 Ų49.239%0.38532%0.318SS..EExtended strand (participates in β ladder)trans-122.8115.5172.8-64.10000110P9 L82P9-S19 VanDerWaalsContact CD-O 3.24Å; P9-S19 WeakPolarHBondContact CD-O 3.45Å; S19-L82 WeakPolarHBondContact CA-O 3.06Å
20L98.8Very high96.7Very high1 Ų148.9 Ų48.91%0.00532%0.317CS..EExtended strand (participates in β ladder)trans-113.7149.7174.7-59.7-180000110.4S7 L18 W38 S81 L82 Y95 T114 V116S7-L20 CarbonylContact O-C 3.58Å; S7-L20 WeakPolarHBondContact O-CA 3.41Å; L18-L20 HydrophobicContact CD1-CD2 3.77Å; L18-L20 HydrophobicContact CD1-CG 3.94Å; L18-L20 HydrophobicContact CD2-CD1 4.29Å; L18-L20 HydrophobicContact CD2-CG 4.34Å; L18-L20 HydrophobicContact CG-CD2 4.46Å; L18-L20 HydrophobicContact CG-CG 4.08Å; L20-W38 HydrophobicContact CB-CH2 3.61Å; L20-W38 HydrophobicContact CB-CZ2 4.04Å; L20-W38 HydrophobicContact CB-CZ3 4.08Å; L20-W38 HydrophobicContact CD1-CE3 4.45Å; L20-W38 HydrophobicContact CD1-CH2 4.3Å; L20-W38 HydrophobicContact CD1-CZ3 3.9Å; L20-S81 CarbonylContact O-C 3.49Å; L20-S81 WeakPolarHBondContact O-CA 3.32Å; L20-S81 VanDerWaalsContact O-CB 3.25Å; L20-S81 WeakPolarHBondContact O-CB 3.25Å; L20-L82 HydrophobicContact CB-CB 4.38Å; L20-L82 HydrophobicContact CD1-CD2 4.37Å; L20-L82 PolarHBondContact N-O 2.91Å; L20-L82 PolarHBondContact O-N 2.82Å; L20-Y95 VanDerWaalsContact CD1-CB 3.49Å; L20-Y95 HydrophobicContact CD1-CD1 3.74Å; L20-Y95 HydrophobicContact CD1-CD2 4.22Å; L20-Y95 HydrophobicContact CD1-CG 3.55Å; L20-T114 HydrophobicContact CD1-CG2 4.28Å; L20-T114 HydrophobicContact CD2-CG2 4.15Å; L20-V116 HydrophobicContact CD1-CG2 4.32Å; L20-V116 HydrophobicContact CD2-CG2 4.03Å
21T98.6Very high96.5Very high44 Ų4448.9 Ų48.927%0.2731%0.31SS..EExtended strand (participates in β ladder)trans-122.4151.4169.1530000109.8E6 S7 F80E6-T21 CarbonylContact C-O 3.54Å; E6-T21 VanDerWaalsContact CA-O 3.31Å; E6-T21 WeakPolarHBondContact CA-O 3.27Å; S7-T21 PolarHBondContact N-O 3.05Å; S7-T21 PolarHBondContact O-N 2.74Å; T21-F80 CarbonylContact C-O 3.48Å; T21-F80 WeakPolarHBondContact CA-O 3.47Å
22C98.6Very high96.1Very high0 Ų053.1 Ų53.10%032%0.319CS..EExtended strand (participates in β ladder)trans-127.4113.9168.5176.40000108.7Q5 W38 Q79 F80 C97Q5-C22 CarbonylContact O-C 3.49Å; Q5-C22 VanDerWaalsContact O-CA 3.32Å; Q5-C22 WeakPolarHBondContact O-CA 3.26Å; C22-W38 HydrophobicContact CB-CH2 3.9Å; C22-W38 HydrophobicContact CB-CZ2 3.74Å; C22-Q79 VanDerWaalsContact O-CA 3.24Å; C22-Q79 WeakPolarHBondContact O-CA 3.49Å; C22-Q79 WeakPolarHBondContact O-CB 3.36Å; C22-F80 HydrophobicContact CB-CD1 4.01Å; C22-F80 HydrophobicContact CB-CE1 3.62Å; C22-F80 HydrophobicContact CB-CE2 4.31Å; C22-F80 HydrophobicContact CB-CZ 3.83Å; C22-F80 PolarHBondContact N-O 2.93Å; C22-F80 PolarHBondContact O-N 3Å; C22-F80 VanDerWaalsContact O-N 3.07Å; C22-F80 WeakPolarHBondContact SG-CE1 3.32Å; C22-C97 HydrophobicContact CB-CB 3.33Å; C22-C97 WeakPolarHBondContact CB-SG 3.34Å; C22-C97 WeakPolarHBondContact SG-CB 3.39Å; C22-C97 CovalentContact SG-SG 2.04Å; C22-C97 PolarHBondContact SG-SG 3.31Å
23G98.2Very high95.7Very high28 Ų2853.4 Ų53.429%0.28932%0.323SS..EExtended strand (participates in β ladder)trans-80.9140.5174.300000110.9L4 Q5L4-G23 WeakPolarHBondContact CA-O 3.36Å; Q5-G23 PolarHBondContact N-O 3.31Å; Q5-G23 PolarHBondContact O-N 3.26Å
24V97.6Very high95.5Very high11 Ų1149.7 Ų49.77%0.06731%0.306CS..EExtended strand (participates in β ladder)trans-106.5125.8175.1-1760000108.6L2 L4 I29 W36 N78 F80L2-V24 HydrophobicContact CD1-CG1 3.63Å; L4-V24 HydrophobicContact CD2-CB 4.45Å; L4-V24 HydrophobicContact CD2-CG1 4.28Å; L4-V24 HydrophobicContact CD2-CG2 3.91Å; V24-I29 HydrophobicContact CG2-CB 4.37Å; V24-I29 HydrophobicContact CG2-CD1 4.08Å; V24-I29 HydrophobicContact CG2-CG1 4.24Å; V24-W36 HydrophobicContact CG1-CH2 3.93Å; V24-W36 HydrophobicContact CG1-CZ3 4.32Å; V24-W36 HydrophobicContact CG2-CE3 4.25Å; V24-W36 HydrophobicContact CG2-CH2 4.11Å; V24-W36 HydrophobicContact CG2-CZ3 3.92Å; V24-N78 WeakPolarHBondContact CB-O 3.45Å; V24-N78 PolarHBondContact N-O 3.29Å; V24-N78 PolarHBondContact O-ND2 2.85Å; V24-F80 HydrophobicContact CG2-CE1 4.43Å
25S96.8Very high95.4Very high55 Ų5549.7 Ų49.739%0.38530%0.299SS..EExtended strand (participates in β ladder)trans-125.8151.6173.971.50000110.7L2 Q3 G27L2-S25 WeakPolarHBondContact CA-O 3.43Å; Q3-S25 WeakPolarHBondContact CB-OG 3.34Å; Q3-S25 PolarHBondContact N-O 3.25Å; Q3-S25 PolarHBondContact O-N 3.05Å; S25-G27 PolarHBondContact O-N 3.46Å
26G93.5Very high95.4Very high65 Ų6543 Ų4367%0.6726%0.263SS*.SBendtrans68.617.9-175.800000114.8
27G91.4Very high95.4Very high36 Ų3638.5 Ų38.537%0.37124%0.242SC..SBendtrans-169.7178174.200000111.8S25 N78S25-G27 PolarHBondContact O-N 3.46Å; G27-N78 PolarHBondContact O-ND2 2.87Å
28S94.1Very high95.4Very high51 Ų5135.1 Ų35.136%0.35722%0.221SC..  trans-114.5128.7-179.4-177.60000111.6S30 S31S28-S30 PolarHBondContact O-N 3.06Å; S28-S30 PolarHBondContact OG-N 2.89Å; S28-S31 WeakPolarHBondContact O-CB 3.5Å; S28-S31 PolarHBondContact O-N 3.17Å; S28-S31 PolarHBondContact O-OG 3.08Å
29I94.3Very high95.4Very high0 Ų035.3 Ų35.30%022%0.222CC..THydrogen-bonded Turntrans-65.6-20174-153.6168.4000112.3V24 S31 W36 Y55 V73 R75 N78 Q79 F80V24-I29 HydrophobicContact CG2-CB 4.37Å; V24-I29 HydrophobicContact CG2-CD1 4.08Å; V24-I29 HydrophobicContact CG2-CG1 4.24Å; I29-S31 VanDerWaalsContact C-N 3.34Å; I29-W36 HydrophobicContact CB-CZ2 4.42Å; I29-W36 HydrophobicContact CD1-CG 4.49Å; I29-W36 HydrophobicContact CG1-CD2 4Å; I29-W36 HydrophobicContact CG1-CG 4.07Å; I29-W36 HydrophobicContact CG1-CZ2 4.09Å; I29-W36 VanDerWaalsContact CG1-NE1 3.32Å; I29-W36 PolarHBondContact O-NE1 2.77Å; I29-W36 VanDerWaalsContact O-NE1 3.15Å; I29-Y55 WeakPolarHBondContact O-CB 3.4Å; I29-V73 HydrophobicContact CD1-CG2 3.71Å; I29-V73 HydrophobicContact CG1-CG2 3.98Å; I29-V73 HydrophobicContact CG2-CG2 4.31Å; I29-R75 HydrophobicContact CG2-CB 4.45Å; I29-R75 HydrophobicContact CG2-CG 4.34Å; I29-N78 WeakPolarHBondContact CB-OD1 3.41Å; I29-N78 WeakPolarHBondContact CG2-OD1 3.34Å; I29-N78 PolarHBondContact N-OD1 3.21Å; I29-Q79 VanDerWaalsContact CD1-O 3.29Å; I29-Q79 WeakPolarHBondContact CD1-O 3.37Å; I29-F80 HydrophobicContact CD1-CB 3.9Å; I29-F80 HydrophobicContact CD1-CD1 3.74Å; I29-F80 HydrophobicContact CD1-CG 4.27Å
30S93.4Very high95.4Very high43 Ų4333.4 Ų33.430%0.30121%0.207SC..THydrogen-bonded Turntrans-86.7-3.7179.9-57.20000113.2S28 R32 Y55 R75S28-S30 PolarHBondContact O-N 3.06Å; S28-S30 PolarHBondContact OG-N 2.89Å; S30-R32 PolarHBondContact O-N 2.81Å; S30-Y55 WeakPolarHBondContact O-CD2 3.46Å; S30-R75 WeakPolarHBondContact OG-CB 3.35Å; S30-R75 WeakPolarHBondContact OG-CD 3.01Å; S30-R75 WeakPolarHBondContact OG-CG 3.31Å
31S91.1Very high95.4Very high44 Ų4436.8 Ų36.831%0.30822%0.223SC..  trans-61130.1177.8-72.90000110.9S28 I29S28-S31 WeakPolarHBondContact O-CB 3.5Å; S28-S31 PolarHBondContact O-N 3.17Å; S28-S31 PolarHBondContact O-OG 3.08Å; I29-S31 VanDerWaalsContact C-N 3.34Å
32R89.8Confident95.4Very high200 Ų20035.2 Ų35.276%0.75521%0.213SC*.THydrogen-bonded Turntrans-62.2146.1173.8-61-172.9174168-1109.4S30 Y55S30-R32 PolarHBondContact O-N 2.81Å; R32-Y55 HydrophobicContact CB-CE1 4.03Å; R32-Y55 HydrophobicContact CG-CE1 3.75Å; R32-Y55 HydrophobicContact CG-CE2 4.35Å
33G90Very high95.3Very high13 Ų1339.9 Ų39.913%0.13424%0.244CC..THydrogen-bonded Turntrans87.84.8176.800000115.3Y54 D101 S102G33-Y54 PolarHBondContact N-OH 3.5Å; G33-D101 CarbonylContact O-C 3.48Å; G33-S102 WeakPolarHBondContact CA-OG 3.25Å; G33-S102 WeakPolarHBondContact O-CB 3.39Å; G33-S102 PolarHBondContact O-N 3.25Å; G33-S102 PolarHBondContact O-OG 2.87Å
34Y93.1Very high95.3Very high56 Ų5643 Ų4322%0.2228%0.276CS..EExtended strand (participates in β ladder)trans-114.8137174.8-55.5-42.4000113.3W36 Y54 R99 D101Y34-W36 HydrophobicContact CD2-CZ2 4.27Å; Y34-Y54 WeakPolarHBondContact O-CD2 3.42Å; Y34-Y54 WeakPolarHBondContact O-CE2 3.37Å; Y34-R99 HydrophobicContact CD1-CG 4.36Å; Y34-R99 HydrophobicContact CG-CG 4.25Å; Y34-D101 WeakPolarHBondContact CE1-OD2 3.41Å
35Y95.5Very high95.2Very high34 Ų3449.4 Ų49.413%0.13330%0.303CS..EExtended strand (participates in β ladder)trans-102.9142.5163.9-71.6-92.9000109.6I53 Y54 Y60 R99 R100Y35-I53 WeakPolarHBondContact CA-O 3.32Å; Y35-Y54 HydrophobicContact CD1-CD2 4.01Å; Y35-Y54 HydrophobicContact CD1-CG 4.37Å; Y35-Y54 AromaticContact CD2-CD2 3.87Å; Y35-Y54 HydrophobicContact CD2-CD2 3.87Å; Y35-Y54 HydrophobicContact CD2-CE2 4.34Å; Y35-Y54 AromaticContact CE1-CD2 3.8Å; Y35-Y54 HydrophobicContact CE1-CD2 3.8Å; Y35-Y54 AromaticContact CE1-CG 3.93Å; Y35-Y54 HydrophobicContact CE1-CG 3.93Å; Y35-Y54 AromaticContact CE2-CD2 3.64Å; Y35-Y54 HydrophobicContact CE2-CD2 3.64Å; Y35-Y54 AromaticContact CE2-CE2 4Å; Y35-Y54 HydrophobicContact CE2-CE2 4Å; Y35-Y54 HydrophobicContact CE2-CG 4.45Å; Y35-Y54 HydrophobicContact CG-CD2 4.05Å; Y35-Y54 AromaticContact CZ-CD2 3.6Å; Y35-Y54 AromaticContact CZ-CG 3.97Å; Y35-Y60 AromaticContact CE1-CD2 3.98Å; Y35-Y60 HydrophobicContact CE1-CD2 3.98Å; Y35-Y60 AromaticContact CE1-CE2 3.66Å; Y35-Y60 HydrophobicContact CE1-CE2 3.66Å; Y35-R99 WeakPolarHBondContact O-CA 3.24Å; Y35-R100 PolarHBondContact N-O 3.32Å; Y35-R100 PolarHBondContact O-N 2.95Å
36W97.3Very high95.2Very high1 Ų149.4 Ų49.40%0.00431%0.312CS..EExtended strand (participates in β ladder)trans-114.9116179.8-57.4102.3000108.6L4 V24 I29 Y34 S52 I53 F80 R99L4-W36 HydrophobicContact CD2-CE3 4.32Å; L4-W36 HydrophobicContact CD2-CZ3 3.68Å; V24-W36 HydrophobicContact CG1-CH2 3.93Å; V24-W36 HydrophobicContact CG1-CZ3 4.32Å; V24-W36 HydrophobicContact CG2-CE3 4.25Å; V24-W36 HydrophobicContact CG2-CH2 4.11Å; V24-W36 HydrophobicContact CG2-CZ3 3.92Å; I29-W36 HydrophobicContact CB-CZ2 4.42Å; I29-W36 HydrophobicContact CD1-CG 4.49Å; I29-W36 HydrophobicContact CG1-CD2 4Å; I29-W36 HydrophobicContact CG1-CG 4.07Å; I29-W36 HydrophobicContact CG1-CZ2 4.09Å; I29-W36 VanDerWaalsContact CG1-NE1 3.32Å; I29-W36 PolarHBondContact O-NE1 2.77Å; I29-W36 VanDerWaalsContact O-NE1 3.15Å; Y34-W36 HydrophobicContact CD2-CZ2 4.27Å; W36-S52 CarbonylContact O-C 3.58Å; W36-S52 WeakPolarHBondContact O-CA 3.41Å; W36-I53 HydrophobicContact CB-CG2 4.08Å; W36-I53 PolarHBondContact N-O 2.97Å; W36-I53 PolarHBondContact O-N 3.44Å; W36-F80 HydrophobicContact CB-CD1 3.82Å; W36-F80 HydrophobicContact CB-CD2 3.86Å; W36-F80 HydrophobicContact CB-CE1 3.75Å; W36-F80 HydrophobicContact CB-CE2 3.81Å; W36-F80 HydrophobicContact CB-CG 3.85Å; W36-F80 HydrophobicContact CB-CZ 3.7Å; W36-F80 HydrophobicContact CD2-CD1 4.49Å; W36-F80 HydrophobicContact CD2-CE1 4.24Å; W36-F80 AromaticContact CE3-CE1 3.87Å; W36-F80 HydrophobicContact CE3-CE1 3.87Å; W36-F80 HydrophobicContact CE3-CZ 4.38Å; W36-F80 HydrophobicContact CG-CD1 4.22Å; W36-F80 HydrophobicContact CG-CE1 4.23Å; W36-R99 HydrophobicContact CE3-CB 4Å; W36-R99 HydrophobicContact CE3-CG 4.01Å; W36-R99 HydrophobicContact CH2-CB 4.38Å; W36-R99 HydrophobicContact CH2-CG 3.89Å; W36-R99 HydrophobicContact CZ2-CG 4.42Å; W36-R99 HydrophobicContact CZ3-CB 3.68Å; W36-R99 HydrophobicContact CZ3-CG 3.64Å
37G97.2Very high95.4Very high0 Ų051 Ų510%031%0.305CS..EExtended strand (participates in β ladder)trans-112.9152-168.100000113.5G51 S52 F80 C97 A98G37-G51 VanDerWaalsContact CA-O 3.32Å; G37-G51 WeakPolarHBondContact CA-O 3.35Å; G37-S52 VanDerWaalsContact CA-OG 3.3Å; G37-S52 WeakPolarHBondContact CA-OG 3.16Å; G37-F80 WeakPolarHBondContact O-CE2 3.4Å; G37-C97 WeakPolarHBondContact O-CA 3.33Å; G37-A98 PolarHBondContact N-O 2.74Å; G37-A98 PolarHBondContact O-N 3.3Å
38W98.5Very high95.7Very high0 Ų051.9 Ų51.90%030%0.299CS..EExtended strand (participates in β ladder)trans-113132.5166.7-7699.4000109.7E6 L20 C22 I50 G51 F80 L82 Y96 C97E6-W38 HydrophobicContact CG-CH2 4.17Å; E6-W38 HydrophobicContact CG-CZ3 3.95Å; L20-W38 HydrophobicContact CB-CH2 3.61Å; L20-W38 HydrophobicContact CB-CZ2 4.04Å; L20-W38 HydrophobicContact CB-CZ3 4.08Å; L20-W38 HydrophobicContact CD1-CE3 4.45Å; L20-W38 HydrophobicContact CD1-CH2 4.3Å; L20-W38 HydrophobicContact CD1-CZ3 3.9Å; C22-W38 HydrophobicContact CB-CH2 3.9Å; C22-W38 HydrophobicContact CB-CZ2 3.74Å; W38-I50 HydrophobicContact CB-CB 4.21Å; W38-I50 HydrophobicContact CB-CD1 4.35Å; W38-I50 WeakPolarHBondContact O-CB 3.34Å; W38-I50 PolarHBondContact O-N 3.25Å; W38-G51 PolarHBondContact N-O 3.14Å; W38-G51 PolarHBondContact O-N 2.87Å; W38-F80 AromaticContact CD1-CD2 3.85Å; W38-F80 AromaticContact CD1-CE2 3.74Å; W38-F80 HydrophobicContact CD2-CE2 4.45Å; W38-F80 AromaticContact CE2-CE2 3.9Å; W38-F80 HydrophobicContact CG-CE2 4.37Å; W38-F80 HydrophobicContact CZ2-CE2 4.49Å; W38-F80 AromaticContact NE1-CD2 3.3Å; W38-F80 VanDerWaalsContact NE1-CD2 3.3Å; W38-F80 AromaticContact NE1-CE2 3.41Å; W38-L82 HydrophobicContact CB-CD2 4.23Å; W38-L82 HydrophobicContact CD2-CB 3.8Å; W38-L82 HydrophobicContact CD2-CD2 4.11Å; W38-L82 HydrophobicContact CE3-CD2 4.31Å; W38-L82 HydrophobicContact CG-CB 3.87Å; W38-L82 HydrophobicContact CG-CD1 4.49Å; W38-L82 HydrophobicContact CG-CD2 4.09Å; W38-L82 HydrophobicContact CG-CG 4.38Å; W38-L82 HydrophobicContact CZ2-CB 4.18Å; W38-Y96 WeakPolarHBondContact CA-O 3.48Å; W38-C97 HydrophobicContact CE3-CB 4.27Å; W38-C97 HydrophobicContact CH2-CB 4.23Å; W38-C97 HydrophobicContact CZ2-CB 4.47Å; W38-C97 HydrophobicContact CZ3-CB 4.13Å
39I98.5Very high95.9Very high4 Ų453.6 Ų53.62%0.02130%0.297CS..EExtended strand (participates in β ladder)trans-130.5145178.6-58.192.2000106.6L47 E48 Y95 Y96 A98 F107 W110I39-L47 HydrophobicContact CG2-CB 3.91Å; I39-L47 HydrophobicContact CG2-CD2 3.87Å; I39-L47 HydrophobicContact CG2-CG 4.4Å; I39-E48 CarbonylContact C-O 3.53Å; I39-E48 WeakPolarHBondContact CA-O 3.26Å; I39-E48 WeakPolarHBondContact CG2-O 3.5Å; I39-Y95 CarbonylContact O-C 3.47Å; I39-Y95 WeakPolarHBondContact O-CA 3.28Å; I39-Y96 PolarHBondContact N-O 3.37Å; I39-Y96 PolarHBondContact O-N 3Å; I39-A98 HydrophobicContact CD1-CB 3.52Å; I39-F107 HydrophobicContact CD1-CD2 4.49Å; I39-F107 HydrophobicContact CD1-CE1 4.29Å; I39-F107 HydrophobicContact CD1-CE2 4.14Å; I39-F107 HydrophobicContact CD1-CZ 4.04Å; I39-F107 HydrophobicContact CG1-CE2 4.33Å; I39-W110 HydrophobicContact CB-CH2 4.17Å; I39-W110 HydrophobicContact CB-CZ3 3.96Å; I39-W110 HydrophobicContact CD1-CH2 3.86Å; I39-W110 HydrophobicContact CD1-CZ3 3.89Å; I39-W110 HydrophobicContact CG1-CH2 3.87Å; I39-W110 HydrophobicContact CG1-CZ3 4.06Å; I39-W110 HydrophobicContact CG2-CH2 4.11Å; I39-W110 HydrophobicContact CG2-CZ3 4.11Å
40R98.3Very high96.1Very high15 Ų1553.7 Ų53.76%0.05730%0.298CS..EExtended strand (participates in β ladder)trans-126.4154.3170.865.6178.1-175.7-1774.8111.7E48 I50 D91 A93 V94 Y95R40-E48 HydrophobicContact CG-CB 4.2Å; R40-E48 IonicContact CZ-OE2 2.72Å; R40-E48 PolarHBondContact N-O 2.63Å; R40-E48 IonicContact NE-OE2 3.57Å; R40-E48 PolarHBondContact NE-OE2 3.05Å; R40-E48 IonicContact NH2-OE1 2.82Å; R40-E48 IonicContact NH2-OE2 3.71Å; R40-E48 PolarHBondContact NH2-OE2 2.84Å; R40-E48 PolarHBondContact O-N 2.91Å; R40-I50 HydrophobicContact CB-CD1 3.99Å; R40-I50 HydrophobicContact CG-CD1 3.93Å; R40-I50 HydrophobicContact CG-CG1 4.04Å; R40-D91 IonicContact CZ-OD1 3.22Å; R40-D91 IonicContact NH1-OD1 3.75Å; R40-D91 PolarHBondContact NH1-OD1 2.93Å; R40-D91 IonicContact NH2-OD1 2.74Å; R40-A93 HydrophobicContact CB-CB 3.84Å; R40-A93 HydrophobicContact CG-CB 4.4Å; R40-V94 CarbonylContact C-O 3.54Å; R40-V94 VanDerWaalsContact CA-O 3.25Å; R40-V94 WeakPolarHBondContact CA-O 3.46Å; R40-Y95 HydrophobicContact CB-CD1 3.88Å; R40-Y95 HydrophobicContact CB-CE1 3.86Å; R40-Y95 HydrophobicContact CB-CG 4.25Å; R40-Y95 HydrophobicContact CG-CE1 4.49Å
41Q98.6Very high96.3Very high72 Ų7251.6 Ų51.634%0.33628%0.284SS..EExtended strand (participates in β ladder)trans-125.198.7172.9-167.8176.920.500109.6K45 L47 A93 V94 Y96Q41-K45 WeakPolarHBondContact CG-O 3.17Å; Q41-L47 HydrophobicContact CB-CD2 4Å; Q41-L47 HydrophobicContact CG-CD2 4.39Å; Q41-A93 WeakPolarHBondContact O-CA 3.38Å; Q41-A93 WeakPolarHBondContact O-CB 3.31Å; Q41-V94 PolarHBondContact N-O 3.17Å; Q41-V94 PolarHBondContact O-N 3.01Å; Q41-Y96 HydrophobicContact CB-CE2 3.87Å; Q41-Y96 PolarHBondContact OE1-OH 2.9Å
42P97.9Very high96.5Very high11 Ų1150 Ų507%0.07127%0.272CS..  trans-64.7153171.5-19.132000111.2G44 K45 A93P42-G44 PolarHBondContact O-N 2.72Å; P42-K45 HydrophobicContact CB-CB 4.14Å; P42-K45 HydrophobicContact CB-CD 4.01Å; P42-K45 HydrophobicContact CB-CG 4.26Å; P42-K45 HydrophobicContact CG-CB 4.38Å; P42-K45 HydrophobicContact CG-CD 4.24Å; P42-K45 PolarHBondContact O-N 2.88Å; P42-A93 HydrophobicContact CG-CB 4.38Å
43P97.1Very high96.9Very high99 Ų9940.7 Ų40.764%0.64324%0.237SC*.THydrogen-bonded Turntrans-53.7130.1176.2-25.733.8000112.2K45 T92P43-K45 PolarHBondContact O-N 2.82Å; P43-T92 VanDerWaalsContact CD-O 3.26Å; P43-T92 WeakPolarHBondContact CD-O 3.49Å; P43-T92 HydrophobicContact CG-CG2 4.48Å
44G97.3Very high97.2Very high94 Ų9442.3 Ų42.397%0.96924%0.24SC*.THydrogen-bonded Turntrans69.99.7179.600000115.3P42P42-G44 PolarHBondContact O-N 2.72Å
45K96.8Very high97.1Very high144 Ų14442.1 Ų42.163%0.62624%0.239SC*.SBendtrans-119.2162.8178.8-60.5-169-176177.50112.1Q41 P42 P43Q41-K45 WeakPolarHBondContact CG-O 3.17Å; P42-K45 HydrophobicContact CB-CB 4.14Å; P42-K45 HydrophobicContact CB-CD 4.01Å; P42-K45 HydrophobicContact CB-CG 4.26Å; P42-K45 HydrophobicContact CG-CB 4.38Å; P42-K45 HydrophobicContact CG-CD 4.24Å; P42-K45 PolarHBondContact O-N 2.88Å; P43-K45 PolarHBondContact O-N 2.82Å
46G96.6Very high97Very high55 Ų5543.5 Ų43.557%0.56725%0.254SS*.  trans-71.6176.9170.400000112.7
47L97.3Very high96.8Very high100 Ų10045 Ų4552%0.52427%0.27SS..  trans-66.1130.7174.1-66.4169.4000110.7I39 Q41 Y96 W110I39-L47 HydrophobicContact CG2-CB 3.91Å; I39-L47 HydrophobicContact CG2-CD2 3.87Å; I39-L47 HydrophobicContact CG2-CG 4.4Å; Q41-L47 HydrophobicContact CB-CD2 4Å; Q41-L47 HydrophobicContact CG-CD2 4.39Å; L47-Y96 HydrophobicContact CD2-CD2 4.19Å; L47-Y96 HydrophobicContact CD2-CE2 4.05Å; L47-W110 HydrophobicContact CD1-CH2 4.09Å
48E97.6Very high96.7Very high54 Ų5448.6 Ų48.625%0.25229%0.289SS..EExtended strand (participates in β ladder)trans-115.2116174.7-176.3-175.9-163.300109.2I39 R40I39-E48 CarbonylContact C-O 3.53Å; I39-E48 WeakPolarHBondContact CA-O 3.26Å; I39-E48 WeakPolarHBondContact CG2-O 3.5Å; R40-E48 HydrophobicContact CG-CB 4.2Å; R40-E48 IonicContact CZ-OE2 2.72Å; R40-E48 PolarHBondContact N-O 2.63Å; R40-E48 IonicContact NE-OE2 3.57Å; R40-E48 PolarHBondContact NE-OE2 3.05Å; R40-E48 IonicContact NH2-OE1 2.82Å; R40-E48 IonicContact NH2-OE2 3.71Å; R40-E48 PolarHBondContact NH2-OE2 2.84Å; R40-E48 PolarHBondContact O-N 2.91Å
49W97.4Very high96.7Very high86 Ų8650.6 Ų50.633%0.32630%0.301SS..EExtended strand (participates in β ladder)trans-70130.6172.9175.878.8000110.2G51 S52 Y61 N62 F107W49-G51 VanDerWaalsContact CE2-CA 3.45Å; W49-G51 PolarHBondContact NE1-O 2.86Å; W49-S52 PolarHBondContact NE1-OG 3.33Å; W49-Y61 VanDerWaalsContact CZ3-C 3.41Å; W49-N62 HydrophobicContact CE3-CB 3.89Å; W49-N62 HydrophobicContact CZ3-CB 4.05Å; W49-N62 VanDerWaalsContact O-CB 3.28Å; W49-N62 WeakPolarHBondContact O-CB 3.42Å; W49-N62 PolarHBondContact O-ND2 3.39Å; W49-F107 AromaticContact CD1-CZ 3.82Å
50I98.2Very high96.6Very high2 Ų255.8 Ų55.81%0.0132%0.322CS..EExtended strand (participates in β ladder)trans-94.2-46.4179.9-61.3177.1000110.5W38 R40 N62 L65 V69 L82 Y95W38-I50 HydrophobicContact CB-CB 4.21Å; W38-I50 HydrophobicContact CB-CD1 4.35Å; W38-I50 WeakPolarHBondContact O-CB 3.34Å; W38-I50 PolarHBondContact O-N 3.25Å; R40-I50 HydrophobicContact CB-CD1 3.99Å; R40-I50 HydrophobicContact CG-CD1 3.93Å; R40-I50 HydrophobicContact CG-CG1 4.04Å; I50-N62 WeakPolarHBondContact O-CB 3.3Å; I50-N62 PolarHBondContact O-N 2.84Å; I50-L65 HydrophobicContact CB-CD1 4.31Å; I50-L65 HydrophobicContact CG1-CD1 4.03Å; I50-L65 HydrophobicContact CG2-CD1 4.17Å; I50-V69 HydrophobicContact CG2-CB 4.46Å; I50-V69 HydrophobicContact CG2-CG1 3.83Å; I50-V69 HydrophobicContact CG2-CG2 3.81Å; I50-L82 HydrophobicContact CD1-CD2 3.89Å; I50-L82 HydrophobicContact CG2-CD1 4.01Å; I50-Y95 HydrophobicContact CD1-CD1 3.85Å; I50-Y95 HydrophobicContact CD1-CE1 3.64Å
51G97.6Very high96.5Very high0 Ų057.5 Ų57.50%033%0.328CS..EExtended strand (participates in β ladder)trans171.5173.4-173.600000112.3G37 W38 W49 Y60 I71G37-G51 VanDerWaalsContact CA-O 3.32Å; G37-G51 WeakPolarHBondContact CA-O 3.35Å; W38-G51 PolarHBondContact N-O 3.14Å; W38-G51 PolarHBondContact O-N 2.87Å; W49-G51 VanDerWaalsContact CE2-CA 3.45Å; W49-G51 PolarHBondContact NE1-O 2.86Å; G51-Y60 CarbonylContact C-O 3.6Å; G51-Y60 WeakPolarHBondContact CA-O 2.95Å; G51-I71 VanDerWaalsContact C-CD1 3.42Å
52S96.9Very high96.4Very high10 Ų1055.4 Ų55.47%0.0732%0.319CS..EExtended strand (participates in β ladder)trans-148.7152.6175.5-58.10000111.7W36 G37 W49 T59 Y60W36-S52 CarbonylContact O-C 3.58Å; W36-S52 WeakPolarHBondContact O-CA 3.41Å; G37-S52 VanDerWaalsContact CA-OG 3.3Å; G37-S52 WeakPolarHBondContact CA-OG 3.16Å; W49-S52 PolarHBondContact NE1-OG 3.33Å; S52-T59 CarbonylContact O-C 3.39Å; S52-T59 WeakPolarHBondContact O-CA 3.3Å; S52-Y60 PolarHBondContact N-O 3.01Å; S52-Y60 PolarHBondContact O-N 3.37Å
53I97.5Very high96.4Very high4 Ų460.2 Ų60.22%0.02135%0.351CS..EExtended strand (participates in β ladder)trans-122.3132.1176.6-168.8162.4000110.1Y35 W36 N58 T59 I71 V73 F80Y35-I53 WeakPolarHBondContact CA-O 3.32Å; W36-I53 HydrophobicContact CB-CG2 4.08Å; W36-I53 PolarHBondContact N-O 2.97Å; W36-I53 PolarHBondContact O-N 3.44Å; I53-N58 CarbonylContact C-O 3.59Å; I53-N58 WeakPolarHBondContact CA-O 3.15Å; I53-T59 HydrophobicContact CB-CG2 3.95Å; I53-T59 HydrophobicContact CD1-CG2 3.6Å; I53-T59 HydrophobicContact CG1-CG2 3.64Å; I53-I71 HydrophobicContact CB-CG2 3.71Å; I53-I71 HydrophobicContact CD1-CG2 4.39Å; I53-I71 HydrophobicContact CG2-CG2 3.61Å; I53-V73 HydrophobicContact CD1-CB 3.99Å; I53-V73 HydrophobicContact CD1-CG1 3.91Å; I53-V73 HydrophobicContact CG1-CG1 4.44Å; I53-V73 HydrophobicContact CG2-CB 4.45Å; I53-F80 HydrophobicContact CG2-CB 4.32Å
54Y95.9Very high96.2Very high47 Ų4760 Ų6018%0.18435%0.352CS..EExtended strand (participates in β ladder)trans-76.2154.9170.3-164.8-133.6000109.9G33 Y34 Y35 S56 G57 N58G33-Y54 PolarHBondContact N-OH 3.5Å; Y34-Y54 WeakPolarHBondContact O-CD2 3.42Å; Y34-Y54 WeakPolarHBondContact O-CE2 3.37Å; Y35-Y54 HydrophobicContact CD1-CD2 4.01Å; Y35-Y54 HydrophobicContact CD1-CG 4.37Å; Y35-Y54 AromaticContact CD2-CD2 3.87Å; Y35-Y54 HydrophobicContact CD2-CD2 3.87Å; Y35-Y54 HydrophobicContact CD2-CE2 4.34Å; Y35-Y54 AromaticContact CE1-CD2 3.8Å; Y35-Y54 HydrophobicContact CE1-CD2 3.8Å; Y35-Y54 AromaticContact CE1-CG 3.93Å; Y35-Y54 HydrophobicContact CE1-CG 3.93Å; Y35-Y54 AromaticContact CE2-CD2 3.64Å; Y35-Y54 HydrophobicContact CE2-CD2 3.64Å; Y35-Y54 AromaticContact CE2-CE2 4Å; Y35-Y54 HydrophobicContact CE2-CE2 4Å; Y35-Y54 HydrophobicContact CE2-CG 4.45Å; Y35-Y54 HydrophobicContact CG-CD2 4.05Å; Y35-Y54 AromaticContact CZ-CD2 3.6Å; Y35-Y54 AromaticContact CZ-CG 3.97Å; Y54-S56 WeakPolarHBondContact CD1-OG 3.38Å; Y54-S56 PolarHBondContact O-N 3.17Å; Y54-G57 PolarHBondContact O-N 3.11Å; Y54-N58 PolarHBondContact N-O 2.96Å
55Y91.3Very high96.1Very high52 Ų5255.9 Ų55.920%0.20431%0.307CS..THydrogen-bonded Turntrans-52.3-30.9179.786.7-89000112.9I29 S30 R32 G57 R75I29-Y55 WeakPolarHBondContact O-CB 3.4Å; S30-Y55 WeakPolarHBondContact O-CD2 3.46Å; R32-Y55 HydrophobicContact CB-CE1 4.03Å; R32-Y55 HydrophobicContact CG-CE1 3.75Å; R32-Y55 HydrophobicContact CG-CE2 4.35Å; Y55-G57 VanDerWaalsContact C-N 3.29Å; Y55-G57 PolarHBondContact O-N 3.02Å; Y55-R75 PolarHBondContact O-NE 3.28Å; Y55-R75 PolarHBondContact O-NH2 2.96Å
56S92.4Very high96Very high63 Ų6355.6 Ų55.644%0.44131%0.306SS..THydrogen-bonded Turntrans-75.3-11.7179.371.80000114.4Y54 R75Y54-S56 WeakPolarHBondContact CD1-OG 3.38Å; Y54-S56 PolarHBondContact O-N 3.17Å; S56-R75 VanDerWaalsContact C-NH2 3.27Å; S56-R75 VanDerWaalsContact CA-NH2 3.33Å; S56-R75 PolarHBondContact O-NH2 2.94Å
57G94.3Very high96Very high34 Ų3458.2 Ų58.235%0.35132%0.316SS..SBendtrans104.3-2.3-177.900000114.6Y54 Y55 T59Y54-G57 PolarHBondContact O-N 3.11Å; Y55-G57 VanDerWaalsContact C-N 3.29Å; Y55-G57 PolarHBondContact O-N 3.02Å; G57-T59 PolarHBondContact O-N 3.06Å
58N95.5Very high95.9Very high74 Ų7456.1 Ų56.140%0.39630%0.301SS..  trans-67.1126176.5-174.326.2000110.7I53 Y54 Y60I53-N58 CarbonylContact C-O 3.59Å; I53-N58 WeakPolarHBondContact CA-O 3.15Å; Y54-N58 PolarHBondContact N-O 2.96Å; N58-Y60 VanDerWaalsContact ND2-CE2 3.31Å; N58-Y60 WeakPolarHBondContact ND2-CE2 3.34Å; N58-Y60 PolarHBondContact ND2-OH 3.29Å
59T97.1Very high96Very high42 Ų4253.9 Ų53.926%0.25829%0.291SS..EExtended strand (participates in β ladder)trans-113.4143.7-173.448.20000112.3S52 I53 G57 Y61 I71S52-T59 CarbonylContact O-C 3.39Å; S52-T59 WeakPolarHBondContact O-CA 3.3Å; I53-T59 HydrophobicContact CB-CG2 3.95Å; I53-T59 HydrophobicContact CD1-CG2 3.6Å; I53-T59 HydrophobicContact CG1-CG2 3.64Å; G57-T59 PolarHBondContact O-N 3.06Å; T59-Y61 WeakPolarHBondContact CB-OH 3.46Å; T59-Y61 WeakPolarHBondContact OG1-CE2 3.48Å; T59-Y61 PolarHBondContact OG1-OH 3.4Å; T59-I71 HydrophobicContact CG2-CB 4.44Å
60Y96Very high96Very high114 Ų11453 Ų5345%0.44730%0.295SS..EExtended strand (participates in β ladder)trans-125.3137.2172.2-63.3-92.3000108Y35 G51 S52 N58Y35-Y60 AromaticContact CE1-CD2 3.98Å; Y35-Y60 HydrophobicContact CE1-CD2 3.98Å; Y35-Y60 AromaticContact CE1-CE2 3.66Å; Y35-Y60 HydrophobicContact CE1-CE2 3.66Å; G51-Y60 CarbonylContact C-O 3.6Å; G51-Y60 WeakPolarHBondContact CA-O 2.95Å; S52-Y60 PolarHBondContact N-O 3.01Å; S52-Y60 PolarHBondContact O-N 3.37Å; N58-Y60 VanDerWaalsContact ND2-CE2 3.31Å; N58-Y60 WeakPolarHBondContact ND2-CE2 3.34Å; N58-Y60 PolarHBondContact ND2-OH 3.29Å
61Y97.5Very high96Very high50 Ų5053.2 Ų53.220%0.19630%0.296CS..EExtended strand (participates in β ladder)trans-126.9148.9-176.6-59.9-73.8000110.2W49 T59 P63 K66 V69 I71W49-Y61 VanDerWaalsContact CZ3-C 3.41Å; T59-Y61 WeakPolarHBondContact CB-OH 3.46Å; T59-Y61 WeakPolarHBondContact OG1-CE2 3.48Å; T59-Y61 PolarHBondContact OG1-OH 3.4Å; Y61-P63 WeakPolarHBondContact O-CD 3.32Å; Y61-K66 HydrophobicContact CD2-CG 4.11Å; Y61-K66 HydrophobicContact CG-CG 4.22Å; Y61-V69 HydrophobicContact CD1-CB 4.24Å; Y61-V69 HydrophobicContact CD1-CG1 3.69Å; Y61-V69 HydrophobicContact CE1-CB 4.46Å; Y61-V69 HydrophobicContact CE1-CG1 3.73Å; Y61-I71 HydrophobicContact CD1-CD1 4.29Å; Y61-I71 HydrophobicContact CE1-CB 4.24Å; Y61-I71 HydrophobicContact CE1-CD1 4.05Å; Y61-I71 HydrophobicContact CE1-CG1 3.98Å; Y61-I71 PolarHBondContact OH-N 3.48Å
62N96.8Very high96Very high28 Ų2855.8 Ų55.815%0.1531%0.314CS..  trans-63.1123.5162.2-176.2-29.9000108.6W49 I50 S64 L65 K66W49-N62 HydrophobicContact CE3-CB 3.89Å; W49-N62 HydrophobicContact CZ3-CB 4.05Å; W49-N62 VanDerWaalsContact O-CB 3.28Å; W49-N62 WeakPolarHBondContact O-CB 3.42Å; W49-N62 PolarHBondContact O-ND2 3.39Å; I50-N62 WeakPolarHBondContact O-CB 3.3Å; I50-N62 PolarHBondContact O-N 2.84Å; N62-S64 PolarHBondContact O-N 2.76Å; N62-S64 VanDerWaalsContact O-N 3.11Å; N62-S64 PolarHBondContact OD1-N 3.34Å; N62-S64 VanDerWaalsContact OD1-N 3.08Å; N62-L65 HydrophobicContact CB-CD1 4.47Å; N62-L65 PolarHBondContact O-N 3.21Å; N62-K66 PolarHBondContact O-N 3.32Å
63P96.4Very high96Very high113 Ų11356.9 Ų56.973%0.73432%0.321SS*.THydrogen-bonded Turntrans-51.5-36.5-178.2-28.935.8000113.8Y61 L65Y61-P63 WeakPolarHBondContact O-CD 3.32Å; P63-L65 PolarHBondContact O-N 2.86Å
64S93.9Very high96Very high95 Ų9559 Ų5966%0.66433%0.332SS*.THydrogen-bonded Turntrans-68.8-19.1-179.2-58.90000114N62N62-S64 PolarHBondContact O-N 2.76Å; N62-S64 VanDerWaalsContact O-N 3.11Å; N62-S64 PolarHBondContact OD1-N 3.34Å; N62-S64 VanDerWaalsContact OD1-N 3.08Å
65L94.6Very high95.9Very high7 Ų762.5 Ų62.54%0.03735%0.345CS..THydrogen-bonded Turntrans-115.4-9.9-176.9-60.3174.5000113.1I50 N62 P63 S67 R68 V69I50-L65 HydrophobicContact CB-CD1 4.31Å; I50-L65 HydrophobicContact CG1-CD1 4.03Å; I50-L65 HydrophobicContact CG2-CD1 4.17Å; N62-L65 HydrophobicContact CB-CD1 4.47Å; N62-L65 PolarHBondContact O-N 3.21Å; P63-L65 PolarHBondContact O-N 2.86Å; L65-S67 PolarHBondContact O-N 2.92Å; L65-R68 PolarHBondContact O-N 2.99Å; L65-V69 HydrophobicContact CB-CG2 3.82Å; L65-V69 WeakPolarHBondContact O-CG2 3.47Å; L65-V69 PolarHBondContact O-N 3.32Å
66K94.4Very high96.1Very high137 Ų13765.2 Ų65.260%0.59637%0.372SS*.THydrogen-bonded Turntrans-54.2-32.1-170.6-174.5176-179.2-177.20114.5Y61 N62 R68Y61-K66 HydrophobicContact CD2-CG 4.11Å; Y61-K66 HydrophobicContact CG-CG 4.22Å; N62-K66 PolarHBondContact O-N 3.32Å; K66-R68 VanDerWaalsContact C-N 3.3Å; K66-R68 PolarHBondContact O-N 2.88Å
67S96.4Very high96.3Very high110 Ų11068.7 Ų68.777%0.76938%0.379SS*.THydrogen-bonded Turntrans-73.6-19.6-178.757.10000114.2L65L65-S67 PolarHBondContact O-N 2.92Å
68R96.9Very high96.4Very high56 Ų5669 Ų6921%0.21137%0.372CS..THydrogen-bonded Turntrans-115.9-7.5-175.1-59.5-172-60.8127.8-1.2113.5L65 K66 L84 T85 S86 D91L65-R68 PolarHBondContact O-N 2.99Å; K66-R68 VanDerWaalsContact C-N 3.3Å; K66-R68 PolarHBondContact O-N 2.88Å; R68-L84 HydrophobicContact CB-CD1 3.86Å; R68-L84 CarbonylContact O-C 3.5Å; R68-L84 WeakPolarHBondContact O-CA 3.45Å; R68-T85 WeakPolarHBondContact CA-OG1 3.38Å; R68-T85 WeakPolarHBondContact CD-O 3.16Å; R68-T85 PolarHBondContact NH1-O 2.04Å; R68-T85 PolarHBondContact O-N 2.79Å; R68-T85 PolarHBondContact O-OG1 2.84Å; R68-S86 PolarHBondContact NH1-O 2.9Å; R68-D91 IonicContact CZ-OD1 3.66Å; R68-D91 IonicContact CZ-OD2 2.88Å; R68-D91 IonicContact NH1-OD1 3.39Å; R68-D91 IonicContact NH1-OD2 3.05Å; R68-D91 PolarHBondContact NH1-OD2 2.87Å; R68-D91 IonicContact NH2-OD1 2.64Å; R68-D91 PolarHBondContact NH2-OD1 2.84Å; R68-D91 IonicContact NH2-OD2 3.86Å
69V98.1Very high96.5Very high7 Ų767.6 Ų67.64%0.04236%0.363CS..EExtended strand (participates in β ladder)trans-107.2132.1-171.5171.80000111.3I50 Y61 L65 I71 L82 K83 L84I50-V69 HydrophobicContact CG2-CB 4.46Å; I50-V69 HydrophobicContact CG2-CG1 3.83Å; I50-V69 HydrophobicContact CG2-CG2 3.81Å; Y61-V69 HydrophobicContact CD1-CB 4.24Å; Y61-V69 HydrophobicContact CD1-CG1 3.69Å; Y61-V69 HydrophobicContact CE1-CB 4.46Å; Y61-V69 HydrophobicContact CE1-CG1 3.73Å; L65-V69 HydrophobicContact CB-CG2 3.82Å; L65-V69 WeakPolarHBondContact O-CG2 3.47Å; L65-V69 PolarHBondContact O-N 3.32Å; V69-I71 HydrophobicContact CG1-CD1 4.32Å; V69-I71 HydrophobicContact CG1-CG1 3.98Å; V69-L82 HydrophobicContact CG1-CD1 3.6Å; V69-K83 WeakPolarHBondContact CA-O 3.5Å; V69-L84 HydrophobicContact CG2-CD1 3.5Å
70T98.4Very high96.6Very high69 Ų6965.6 Ų65.642%0.42335%0.351SS..EExtended strand (participates in β ladder)trans-125.6125.6166.5-59.20000108.9K83T70-K83 PolarHBondContact N-O 2.64Å; T70-K83 PolarHBondContact O-N 2.8Å
71I98.4Very high96.7Very high5 Ų561.5 Ų61.53%0.02634%0.339CS..EExtended strand (participates in β ladder)trans-110.1138.9172.6-61.1169.7000108.3G51 I53 T59 Y61 V69 S81 L82G51-I71 VanDerWaalsContact C-CD1 3.42Å; I53-I71 HydrophobicContact CB-CG2 3.71Å; I53-I71 HydrophobicContact CD1-CG2 4.39Å; I53-I71 HydrophobicContact CG2-CG2 3.61Å; T59-I71 HydrophobicContact CG2-CB 4.44Å; Y61-I71 HydrophobicContact CD1-CD1 4.29Å; Y61-I71 HydrophobicContact CE1-CB 4.24Å; Y61-I71 HydrophobicContact CE1-CD1 4.05Å; Y61-I71 HydrophobicContact CE1-CG1 3.98Å; Y61-I71 PolarHBondContact OH-N 3.48Å; V69-I71 HydrophobicContact CG1-CD1 4.32Å; V69-I71 HydrophobicContact CG1-CG1 3.98Å; I71-S81 VanDerWaalsContact CA-O 3.31Å; I71-S81 WeakPolarHBondContact CA-O 3.31Å; I71-S81 WeakPolarHBondContact CG2-O 3.44Å; I71-L82 HydrophobicContact CG1-CD1 3.93Å
72S97.9Very high96.7Very high55 Ų5559.2 Ų59.239%0.38533%0.33SS..EExtended strand (participates in β ladder)trans-140154.7-179.4-61.90000111.3F80 S81S72-F80 CarbonylContact O-C 3.55Å; S72-F80 WeakPolarHBondContact O-CA 3.35Å; S72-F80 VanDerWaalsContact O-CB 3.26Å; S72-F80 WeakPolarHBondContact O-CB 3.49Å; S72-S81 PolarHBondContact N-O 3.01Å; S72-S81 VanDerWaalsContact N-O 3.07Å; S72-S81 PolarHBondContact O-N 2.9Å
73V97.1Very high96.8Very high33 Ų3363 Ų6320%0.235%0.346CS..EExtended strand (participates in β ladder)trans-119.6129178.564.70000109.3I29 I53 R75I29-V73 HydrophobicContact CD1-CG2 3.71Å; I29-V73 HydrophobicContact CG1-CG2 3.98Å; I29-V73 HydrophobicContact CG2-CG2 4.31Å; I53-V73 HydrophobicContact CD1-CB 3.99Å; I53-V73 HydrophobicContact CD1-CG1 3.91Å; I53-V73 HydrophobicContact CG1-CG1 4.44Å; I53-V73 HydrophobicContact CG2-CB 4.45Å; V73-R75 HydrophobicContact CG2-CG 4.32Å
74D96.2Very high96.9Very high49 Ų4957.8 Ų57.826%0.26231%0.311SS..EExtended strand (participates in β ladder)trans-114.696.8173-176.4-12.7000108.6S76 K77 N78 Q79D74-S76 VanDerWaalsContact C-N 3.27Å; D74-S76 PolarHBondContact O-N 3.28Å; D74-S76 WeakPolarHBondContact OD1-CB 3.38Å; D74-S76 PolarHBondContact OD1-N 3.47Å; D74-S76 PolarHBondContact OD1-OG 2.95Å; D74-K77 PolarHBondContact O-N 2.89Å; D74-K77 PolarHBondContact OD1-N 2.91Å; D74-K77 VanDerWaalsContact OD2-CD 3.27Å; D74-K77 WeakPolarHBondContact OD2-CD 3.4Å; D74-K77 IonicContact OD2-NZ 3.97Å; D74-N78 PolarHBondContact O-N 3.13Å; D74-N78 VanDerWaalsContact O-N 3.13Å; D74-Q79 CarbonylContact C-O 3.6Å; D74-Q79 HydrophobicContact CB-CG 3.95Å; D74-Q79 PolarHBondContact N-O 3.45Å; D74-Q79 PolarHBondContact O-N 3.25Å
75R94.5Very high97.1Very high119 Ų11955.7 Ų55.745%0.44930%0.295SS..THydrogen-bonded Turntrans-68.2-27.9-178.1-60.1-178.9-164.1124.86112.4I29 S30 Y55 S56 V73 K77 N78I29-R75 HydrophobicContact CG2-CB 4.45Å; I29-R75 HydrophobicContact CG2-CG 4.34Å; S30-R75 WeakPolarHBondContact OG-CB 3.35Å; S30-R75 WeakPolarHBondContact OG-CD 3.01Å; S30-R75 WeakPolarHBondContact OG-CG 3.31Å; Y55-R75 PolarHBondContact O-NE 3.28Å; Y55-R75 PolarHBondContact O-NH2 2.96Å; S56-R75 VanDerWaalsContact C-NH2 3.27Å; S56-R75 VanDerWaalsContact CA-NH2 3.33Å; S56-R75 PolarHBondContact O-NH2 2.94Å; V73-R75 HydrophobicContact CG2-CG 4.32Å; R75-K77 VanDerWaalsContact C-N 3.27Å; R75-K77 PolarHBondContact O-N 3.16Å; R75-N78 PolarHBondContact O-N 2.81Å
76S94.9Very high97.2Very high110 Ų11058.2 Ų58.277%0.76931%0.313SS*.THydrogen-bonded Turntrans-68.7-30.5-179.573.80000112D74D74-S76 VanDerWaalsContact C-N 3.27Å; D74-S76 PolarHBondContact O-N 3.28Å; D74-S76 WeakPolarHBondContact OD1-CB 3.38Å; D74-S76 PolarHBondContact OD1-N 3.47Å; D74-S76 PolarHBondContact OD1-OG 2.95Å
77K96.6Very high97.4Very high136 Ų13651.7 Ų51.759%0.59129%0.285SS*.THydrogen-bonded Turntrans-103.13.2178.4-63.9-177.3-169.8171.70113.7D74 R75 Q79D74-K77 PolarHBondContact O-N 2.89Å; D74-K77 PolarHBondContact OD1-N 2.91Å; D74-K77 VanDerWaalsContact OD2-CD 3.27Å; D74-K77 WeakPolarHBondContact OD2-CD 3.4Å; D74-K77 IonicContact OD2-NZ 3.97Å; R75-K77 VanDerWaalsContact C-N 3.27Å; R75-K77 PolarHBondContact O-N 3.16Å; K77-Q79 VanDerWaalsContact C-N 3.27Å; K77-Q79 HydrophobicContact CB-CG 3.79Å; K77-Q79 PolarHBondContact O-N 2.89Å
78N97.2Very high97.4Very high39 Ų3949.3 Ų49.321%0.20927%0.265CS..THydrogen-bonded Turntrans52.843.3-176.4-152.339.1000113.3V24 G27 I29 D74 R75V24-N78 WeakPolarHBondContact CB-O 3.45Å; V24-N78 PolarHBondContact N-O 3.29Å; V24-N78 PolarHBondContact O-ND2 2.85Å; G27-N78 PolarHBondContact O-ND2 2.87Å; I29-N78 WeakPolarHBondContact CB-OD1 3.41Å; I29-N78 WeakPolarHBondContact CG2-OD1 3.34Å; I29-N78 PolarHBondContact N-OD1 3.21Å; D74-N78 PolarHBondContact O-N 3.13Å; D74-N78 VanDerWaalsContact O-N 3.13Å; R75-N78 PolarHBondContact O-N 2.81Å
79Q97.8Very high97.4Very high46 Ų4649.7 Ų49.722%0.21528%0.28CS..EExtended strand (participates in β ladder)trans-139.8158.6-174.172.4-17820.600112.3C22 I29 D74 K77C22-Q79 VanDerWaalsContact O-CA 3.24Å; C22-Q79 WeakPolarHBondContact O-CA 3.49Å; C22-Q79 WeakPolarHBondContact O-CB 3.36Å; I29-Q79 VanDerWaalsContact CD1-O 3.29Å; I29-Q79 WeakPolarHBondContact CD1-O 3.37Å; D74-Q79 CarbonylContact C-O 3.6Å; D74-Q79 HydrophobicContact CB-CG 3.95Å; D74-Q79 PolarHBondContact N-O 3.45Å; D74-Q79 PolarHBondContact O-N 3.25Å; K77-Q79 VanDerWaalsContact C-N 3.27Å; K77-Q79 HydrophobicContact CB-CG 3.79Å; K77-Q79 PolarHBondContact O-N 2.89Å
80F98.1Very high97.3Very high0 Ų052.7 Ų52.70%031%0.306CS..EExtended strand (participates in β ladder)trans-128.5157.1167.863.3-71.4000110.1T21 C22 V24 I29 W36 G37 W38 I53 S72 C97T21-F80 CarbonylContact C-O 3.48Å; T21-F80 WeakPolarHBondContact CA-O 3.47Å; C22-F80 HydrophobicContact CB-CD1 4.01Å; C22-F80 HydrophobicContact CB-CE1 3.62Å; C22-F80 HydrophobicContact CB-CE2 4.31Å; C22-F80 HydrophobicContact CB-CZ 3.83Å; C22-F80 PolarHBondContact N-O 2.93Å; C22-F80 PolarHBondContact O-N 3Å; C22-F80 VanDerWaalsContact O-N 3.07Å; C22-F80 WeakPolarHBondContact SG-CE1 3.32Å; V24-F80 HydrophobicContact CG2-CE1 4.43Å; I29-F80 HydrophobicContact CD1-CB 3.9Å; I29-F80 HydrophobicContact CD1-CD1 3.74Å; I29-F80 HydrophobicContact CD1-CG 4.27Å; W36-F80 HydrophobicContact CB-CD1 3.82Å; W36-F80 HydrophobicContact CB-CD2 3.86Å; W36-F80 HydrophobicContact CB-CE1 3.75Å; W36-F80 HydrophobicContact CB-CE2 3.81Å; W36-F80 HydrophobicContact CB-CG 3.85Å; W36-F80 HydrophobicContact CB-CZ 3.7Å; W36-F80 HydrophobicContact CD2-CD1 4.49Å; W36-F80 HydrophobicContact CD2-CE1 4.24Å; W36-F80 AromaticContact CE3-CE1 3.87Å; W36-F80 HydrophobicContact CE3-CE1 3.87Å; W36-F80 HydrophobicContact CE3-CZ 4.38Å; W36-F80 HydrophobicContact CG-CD1 4.22Å; W36-F80 HydrophobicContact CG-CE1 4.23Å; G37-F80 WeakPolarHBondContact O-CE2 3.4Å; W38-F80 AromaticContact CD1-CD2 3.85Å; W38-F80 AromaticContact CD1-CE2 3.74Å; W38-F80 HydrophobicContact CD2-CE2 4.45Å; W38-F80 AromaticContact CE2-CE2 3.9Å; W38-F80 HydrophobicContact CG-CE2 4.37Å; W38-F80 HydrophobicContact CZ2-CE2 4.49Å; W38-F80 AromaticContact NE1-CD2 3.3Å; W38-F80 VanDerWaalsContact NE1-CD2 3.3Å; W38-F80 AromaticContact NE1-CE2 3.41Å; I53-F80 HydrophobicContact CG2-CB 4.32Å; S72-F80 CarbonylContact O-C 3.55Å; S72-F80 WeakPolarHBondContact O-CA 3.35Å; S72-F80 VanDerWaalsContact O-CB 3.26Å; S72-F80 WeakPolarHBondContact O-CB 3.49Å; F80-C97 HydrophobicContact CE1-CB 4.32Å; F80-C97 HydrophobicContact CE2-CB 4.12Å; F80-C97 HydrophobicContact CZ-CB 3.56Å
81S98.4Very high97.2Very high28 Ų2849.5 Ų49.520%0.19629%0.286CS..EExtended strand (participates in β ladder)trans-130.7154.8-172.1600000112.1L20 I71 S72L20-S81 CarbonylContact O-C 3.49Å; L20-S81 WeakPolarHBondContact O-CA 3.32Å; L20-S81 VanDerWaalsContact O-CB 3.25Å; L20-S81 WeakPolarHBondContact O-CB 3.25Å; I71-S81 VanDerWaalsContact CA-O 3.31Å; I71-S81 WeakPolarHBondContact CA-O 3.31Å; I71-S81 WeakPolarHBondContact CG2-O 3.44Å; S72-S81 PolarHBondContact N-O 3.01Å; S72-S81 VanDerWaalsContact N-O 3.07Å; S72-S81 PolarHBondContact O-N 2.9Å
82L98.7Very high97.2Very high1 Ų150.7 Ų50.71%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-119.2127.6170.817467.6000107.8S19 L20 W38 I50 V69 I71 Y95S19-L82 WeakPolarHBondContact CA-O 3.06Å; L20-L82 HydrophobicContact CB-CB 4.38Å; L20-L82 HydrophobicContact CD1-CD2 4.37Å; L20-L82 PolarHBondContact N-O 2.91Å; L20-L82 PolarHBondContact O-N 2.82Å; W38-L82 HydrophobicContact CB-CD2 4.23Å; W38-L82 HydrophobicContact CD2-CB 3.8Å; W38-L82 HydrophobicContact CD2-CD2 4.11Å; W38-L82 HydrophobicContact CE3-CD2 4.31Å; W38-L82 HydrophobicContact CG-CB 3.87Å; W38-L82 HydrophobicContact CG-CD1 4.49Å; W38-L82 HydrophobicContact CG-CD2 4.09Å; W38-L82 HydrophobicContact CG-CG 4.38Å; W38-L82 HydrophobicContact CZ2-CB 4.18Å; I50-L82 HydrophobicContact CD1-CD2 3.89Å; I50-L82 HydrophobicContact CG2-CD1 4.01Å; V69-L82 HydrophobicContact CG1-CD1 3.6Å; I71-L82 HydrophobicContact CG1-CD1 3.93Å; L82-Y95 HydrophobicContact CD2-CD1 3.96Å; L82-Y95 HydrophobicContact CD2-CE1 4.08Å
83K98.6Very high97.3Very high109 Ų10948.1 Ų48.147%0.47428%0.276SS..EExtended strand (participates in β ladder)trans-112128161.8-68-174174.8-177.40108.6T17 L18 V69 T70T17-K83 HydrophobicContact CG2-CB 4.38Å; L18-K83 CarbonylContact O-C 3.58Å; L18-K83 VanDerWaalsContact O-CA 3.31Å; L18-K83 WeakPolarHBondContact O-CA 3.39Å; V69-K83 WeakPolarHBondContact CA-O 3.5Å; T70-K83 PolarHBondContact N-O 2.64Å; T70-K83 PolarHBondContact O-N 2.8Å
84L98.2Very high97.3Very high3 Ų348.4 Ų48.42%0.01628%0.277CS..EExtended strand (participates in β ladder)trans-121.6114.7173.4178.967.8000108T17 L18 R68 V69 V87 D91T17-L84 CarbonylContact C-O 3.6Å; T17-L84 WeakPolarHBondContact CA-O 3.25Å; L18-L84 HydrophobicContact CB-CB 4.34Å; L18-L84 PolarHBondContact N-O 2.99Å; L18-L84 PolarHBondContact O-N 3.36Å; R68-L84 HydrophobicContact CB-CD1 3.86Å; R68-L84 CarbonylContact O-C 3.5Å; R68-L84 WeakPolarHBondContact O-CA 3.45Å; V69-L84 HydrophobicContact CG2-CD1 3.5Å; L84-V87 HydrophobicContact CB-CG1 4.34Å; L84-V87 HydrophobicContact CD2-CG1 3.98Å; L84-V87 HydrophobicContact CG-CG1 3.94Å; L84-V87 WeakPolarHBondContact O-CG1 3.33Å; L84-D91 HydrophobicContact CD2-CB 3.94Å
85T98.2Very high97.5Very high51 Ų5146 Ų4631%0.31327%0.265SS..  trans-90.2157.8-177.759.20000111.8T17 R68 V87T17-T85 HydrophobicContact CG2-CG2 4.09Å; R68-T85 WeakPolarHBondContact CA-OG1 3.38Å; R68-T85 WeakPolarHBondContact CD-O 3.16Å; R68-T85 PolarHBondContact NH1-O 2.04Å; R68-T85 PolarHBondContact O-N 2.79Å; R68-T85 PolarHBondContact O-OG1 2.84Å; T85-V87 VanDerWaalsContact C-N 3.32Å; T85-V87 PolarHBondContact O-N 2.78Å
86S96.6Very high97.7Very high60 Ų6042.4 Ų42.442%0.4225%0.251SS..SBendtrans50.353.8176.7-55.70000111.3E16 R68E16-S86 PolarHBondContact O-N 2.98Å; E16-S86 VanDerWaalsContact O-N 3.16Å; R68-S86 PolarHBondContact NH1-O 2.9Å
87V97.8Very high97.8Very high0 Ų037.1 Ų37.10%022%0.215CC..  trans-66.1149.3-177-62.40000111.4V12 K13 A14 L15 E16 L18 L84 T85 D91 V118V12-V87 HydrophobicContact CG1-CG2 3.88Å; K13-V87 VanDerWaalsContact O-CG2 3.32Å; K13-V87 WeakPolarHBondContact O-CG2 3.47Å; A14-V87 CarbonylContact C-O 3.6Å; A14-V87 WeakPolarHBondContact CA-O 3.24Å; L15-V87 PolarHBondContact N-O 2.89Å; E16-V87 PolarHBondContact O-N 3.12Å; E16-V87 VanDerWaalsContact O-N 3.13Å; L18-V87 HydrophobicContact CB-CG1 3.78Å; L84-V87 HydrophobicContact CB-CG1 4.34Å; L84-V87 HydrophobicContact CD2-CG1 3.98Å; L84-V87 HydrophobicContact CG-CG1 3.94Å; L84-V87 WeakPolarHBondContact O-CG1 3.33Å; T85-V87 VanDerWaalsContact C-N 3.32Å; T85-V87 PolarHBondContact O-N 2.78Å; V87-D91 WeakPolarHBondContact CA-OD2 3.31Å; V87-D91 HydrophobicContact CB-CB 4.39Å; V87-V118 HydrophobicContact CB-CG1 4.28Å; V87-V118 HydrophobicContact CB-CG2 4.16Å; V87-V118 HydrophobicContact CG2-CG1 3.74Å; V87-V118 HydrophobicContact CG2-CG2 4.13Å
88T97.1Very high97.9Very high60 Ų6030.7 Ų30.737%0.36819%0.187SC..  trans-126.2168.3178.964.70000110A90 D91 V118T88-A90 PolarHBondContact O-N 2.82Å; T88-A90 PolarHBondContact OG1-N 2.73Å; T88-D91 PolarHBondContact N-OD2 2.81Å; T88-D91 WeakPolarHBondContact O-CB 3.2Å; T88-D91 PolarHBondContact O-N 3.2Å; T88-D91 PolarHBondContact OG1-OD2 2.86Å; T88-V118 WeakPolarHBondContact O-CB 3.43Å; T88-V118 WeakPolarHBondContact O-CG1 3.4Å; T88-V118 WeakPolarHBondContact O-CG2 3.46Å
89A96.8Very high97.8Very high63 Ų6330 Ų3052%0.52118%0.181SC..G310 helixtrans-52.9-30.8173.800000112.9D91 T92A89-D91 PolarHBondContact O-N 2.84Å; A89-T92 VanDerWaalsContact O-CB 3.27Å; A89-T92 WeakPolarHBondContact O-CB 3.38Å; A89-T92 PolarHBondContact O-N 3.07Å; A89-T92 VanDerWaalsContact O-N 3.12Å; A89-T92 PolarHBondContact O-OG1 2.82Å; A89-T92 VanDerWaalsContact O-OG1 3.06Å
90A95.6Very high97.6Very high71 Ų7131.1 Ų31.159%0.58718%0.183SC*.G310 helixtrans-68.7-15.6176.800000114.1T88 T92T88-A90 PolarHBondContact O-N 2.82Å; T88-A90 PolarHBondContact OG1-N 2.73Å; A90-T92 VanDerWaalsContact C-N 3.29Å
91D97.6Very high97.2Very high2 Ų233.6 Ų33.61%0.01120%0.197CC..G310 helixtrans-86.30.9174.4-58.1-56000112.1R40 R68 L84 V87 T88 A89 A93 Y95 V118R40-D91 IonicContact CZ-OD1 3.22Å; R40-D91 IonicContact NH1-OD1 3.75Å; R40-D91 PolarHBondContact NH1-OD1 2.93Å; R40-D91 IonicContact NH2-OD1 2.74Å; R68-D91 IonicContact CZ-OD1 3.66Å; R68-D91 IonicContact CZ-OD2 2.88Å; R68-D91 IonicContact NH1-OD1 3.39Å; R68-D91 IonicContact NH1-OD2 3.05Å; R68-D91 PolarHBondContact NH1-OD2 2.87Å; R68-D91 IonicContact NH2-OD1 2.64Å; R68-D91 PolarHBondContact NH2-OD1 2.84Å; R68-D91 IonicContact NH2-OD2 3.86Å; L84-D91 HydrophobicContact CD2-CB 3.94Å; V87-D91 WeakPolarHBondContact CA-OD2 3.31Å; V87-D91 HydrophobicContact CB-CB 4.39Å; T88-D91 PolarHBondContact N-OD2 2.81Å; T88-D91 WeakPolarHBondContact O-CB 3.2Å; T88-D91 PolarHBondContact O-N 3.2Å; T88-D91 PolarHBondContact OG1-OD2 2.86Å; A89-D91 PolarHBondContact O-N 2.84Å; D91-A93 PolarHBondContact O-N 2.83Å; D91-Y95 WeakPolarHBondContact O-CE2 3.37Å; D91-Y95 PolarHBondContact O-OH 2.87Å; D91-V118 HydrophobicContact CB-CG2 4.31Å
92T98.4Very high96.6Very high29 Ų2935.1 Ų35.118%0.17821%0.208CC..  trans-64.7119.9168.6-63.80000110.1P43 A89 A90 V116 V118P43-T92 VanDerWaalsContact CD-O 3.26Å; P43-T92 WeakPolarHBondContact CD-O 3.49Å; P43-T92 HydrophobicContact CG-CG2 4.48Å; A89-T92 VanDerWaalsContact O-CB 3.27Å; A89-T92 WeakPolarHBondContact O-CB 3.38Å; A89-T92 PolarHBondContact O-N 3.07Å; A89-T92 VanDerWaalsContact O-N 3.12Å; A89-T92 PolarHBondContact O-OG1 2.82Å; A89-T92 VanDerWaalsContact O-OG1 3.06Å; A90-T92 VanDerWaalsContact C-N 3.29Å; T92-V116 WeakPolarHBondContact CA-O 3.45Å; T92-V118 PolarHBondContact OG1-N 2.79Å
93A98.4Very high95.9Very high1 Ų138.6 Ų38.61%0.00824%0.244CC..EExtended strand (participates in β ladder)trans-166.7166.1-17600000111.3R40 Q41 P42 D91 Y95 V116R40-A93 HydrophobicContact CB-CB 3.84Å; R40-A93 HydrophobicContact CG-CB 4.4Å; Q41-A93 WeakPolarHBondContact O-CA 3.38Å; Q41-A93 WeakPolarHBondContact O-CB 3.31Å; P42-A93 HydrophobicContact CG-CB 4.38Å; D91-A93 PolarHBondContact O-N 2.83Å; A93-Y95 HydrophobicContact CB-CD2 4.2Å; A93-Y95 HydrophobicContact CB-CE2 3.76Å; A93-Y95 WeakPolarHBondContact O-CD2 3.47Å; A93-V116 PolarHBondContact N-O 3.45Å; A93-V116 VanDerWaalsContact N-O 3.13Å; A93-V116 PolarHBondContact O-N 3.42Å
94V98.7Very high95.2Very high39 Ų3935.1 Ų35.124%0.23623%0.233CC..EExtended strand (participates in β ladder)trans-81.5125.1157.4-173.50000108R40 Q41 Y96 T114 L115R40-V94 CarbonylContact C-O 3.54Å; R40-V94 VanDerWaalsContact CA-O 3.25Å; R40-V94 WeakPolarHBondContact CA-O 3.46Å; Q41-V94 PolarHBondContact N-O 3.17Å; Q41-V94 PolarHBondContact O-N 3.01Å; V94-Y96 HydrophobicContact CB-CE2 3.86Å; V94-Y96 HydrophobicContact CG1-CD1 4.4Å; V94-Y96 HydrophobicContact CG1-CD2 4.37Å; V94-Y96 HydrophobicContact CG1-CE1 3.72Å; V94-Y96 HydrophobicContact CG1-CE2 3.7Å; V94-Y96 WeakPolarHBondContact CG1-OH 3.39Å; V94-T114 CarbonylContact C-O 3.55Å; V94-T114 WeakPolarHBondContact CA-O 3.48Å; V94-L115 HydrophobicContact CG2-CD1 4.21Å
95Y98.8Very high94.3Very high0 Ų042.6 Ų42.60%027%0.268CS..EExtended strand (participates in β ladder)trans-102.2126.3178.7-73.5-101.3000109.6L18 L20 I39 R40 I50 L82 D91 A93 G113 T114 V116L18-Y95 HydrophobicContact CD2-CE1 4.19Å; L18-Y95 HydrophobicContact CD2-CE2 4.14Å; L20-Y95 VanDerWaalsContact CD1-CB 3.49Å; L20-Y95 HydrophobicContact CD1-CD1 3.74Å; L20-Y95 HydrophobicContact CD1-CD2 4.22Å; L20-Y95 HydrophobicContact CD1-CG 3.55Å; I39-Y95 CarbonylContact O-C 3.47Å; I39-Y95 WeakPolarHBondContact O-CA 3.28Å; R40-Y95 HydrophobicContact CB-CD1 3.88Å; R40-Y95 HydrophobicContact CB-CE1 3.86Å; R40-Y95 HydrophobicContact CB-CG 4.25Å; R40-Y95 HydrophobicContact CG-CE1 4.49Å; I50-Y95 HydrophobicContact CD1-CD1 3.85Å; I50-Y95 HydrophobicContact CD1-CE1 3.64Å; L82-Y95 HydrophobicContact CD2-CD1 3.96Å; L82-Y95 HydrophobicContact CD2-CE1 4.08Å; D91-Y95 WeakPolarHBondContact O-CE2 3.37Å; D91-Y95 PolarHBondContact O-OH 2.87Å; A93-Y95 HydrophobicContact CB-CD2 4.2Å; A93-Y95 HydrophobicContact CB-CE2 3.76Å; A93-Y95 WeakPolarHBondContact O-CD2 3.47Å; Y95-G113 CarbonylContact O-C 3.58Å; Y95-G113 WeakPolarHBondContact O-CA 3.27Å; Y95-T114 PolarHBondContact N-O 3.36Å; Y95-T114 PolarHBondContact O-N 3.39Å; Y95-V116 HydrophobicContact CD2-CB 3.89Å; Y95-V116 HydrophobicContact CD2-CG2 3.69Å; Y95-V116 HydrophobicContact CE2-CB 3.83Å; Y95-V116 HydrophobicContact CE2-CG2 4.07Å; Y95-V116 HydrophobicContact CG-CG2 4.5Å
96Y98.8Very high93.7Very high42 Ų4246.9 Ų46.917%0.16528%0.284CS..EExtended strand (participates in β ladder)trans-114.3140.7179.3-54.1-88000109.9E6 W38 I39 Q41 L47 V94 W110 G113E6-Y96 VanDerWaalsContact OE1-CA 3.3Å; E6-Y96 WeakPolarHBondContact OE1-CA 3.38Å; W38-Y96 WeakPolarHBondContact CA-O 3.48Å; I39-Y96 PolarHBondContact N-O 3.37Å; I39-Y96 PolarHBondContact O-N 3Å; Q41-Y96 HydrophobicContact CB-CE2 3.87Å; Q41-Y96 PolarHBondContact OE1-OH 2.9Å; L47-Y96 HydrophobicContact CD2-CD2 4.19Å; L47-Y96 HydrophobicContact CD2-CE2 4.05Å; V94-Y96 HydrophobicContact CB-CE2 3.86Å; V94-Y96 HydrophobicContact CG1-CD1 4.4Å; V94-Y96 HydrophobicContact CG1-CD2 4.37Å; V94-Y96 HydrophobicContact CG1-CE1 3.72Å; V94-Y96 HydrophobicContact CG1-CE2 3.7Å; V94-Y96 WeakPolarHBondContact CG1-OH 3.39Å; Y96-W110 HydrophobicContact CG-CE3 4.23Å; Y96-W110 HydrophobicContact CG-CZ3 4.27Å; Y96-G113 VanDerWaalsContact CD1-CA 3.41Å
97C97.9Very high93.4Very high0 Ų046.7 Ų46.70%028%0.276CS..EExtended strand (participates in β ladder)trans-98.6144.5162.463.10000110.8E6 C22 G37 W38 F80 W110 G111E6-C97 HydrophobicContact CG-CB 4.15Å; E6-C97 VanDerWaalsContact CG-SG 3.57Å; E6-C97 PolarHBondContact OE1-N 2.8Å; E6-C97 PolarHBondContact OE1-SG 2.79Å; E6-C97 VanDerWaalsContact OE1-SG 3.34Å; C22-C97 HydrophobicContact CB-CB 3.33Å; C22-C97 WeakPolarHBondContact CB-SG 3.34Å; C22-C97 WeakPolarHBondContact SG-CB 3.39Å; C22-C97 CovalentContact SG-SG 2.04Å; C22-C97 PolarHBondContact SG-SG 3.31Å; G37-C97 WeakPolarHBondContact O-CA 3.33Å; W38-C97 HydrophobicContact CE3-CB 4.27Å; W38-C97 HydrophobicContact CH2-CB 4.23Å; W38-C97 HydrophobicContact CZ2-CB 4.47Å; W38-C97 HydrophobicContact CZ3-CB 4.13Å; F80-C97 HydrophobicContact CE1-CB 4.32Å; F80-C97 HydrophobicContact CE2-CB 4.12Å; F80-C97 HydrophobicContact CZ-CB 3.56Å; C97-W110 WeakPolarHBondContact O-CA 3.19Å; C97-G111 PolarHBondContact O-N 3.26Å
98A97.7Very high93Very high0 Ų049.9 Ų49.90%029%0.293CS..EExtended strand (participates in β ladder)trans-143.7157.5-177.500000112.4G37 I39 F107 Y109 W110G37-A98 PolarHBondContact N-O 2.74Å; G37-A98 PolarHBondContact O-N 3.3Å; I39-A98 HydrophobicContact CD1-CB 3.52Å; A98-F107 HydrophobicContact CB-CB 4.04Å; A98-F107 HydrophobicContact CB-CD1 3.45Å; A98-F107 VanDerWaalsContact CB-CD1 3.45Å; A98-F107 HydrophobicContact CB-CE1 4.05Å; A98-F107 HydrophobicContact CB-CG 3.8Å; A98-Y109 CarbonylContact C-O 3.47Å; A98-Y109 WeakPolarHBondContact CA-O 3.38Å; A98-Y109 WeakPolarHBondContact CB-O 3.26Å; A98-W110 HydrophobicContact CB-CD2 3.94Å; A98-W110 HydrophobicContact CB-CE3 4.16Å; A98-W110 HydrophobicContact CB-CG 4.33Å; A98-W110 HydrophobicContact CB-CZ2 4.44Å; A98-W110 HydrophobicContact CB-CZ3 4.5Å
99R96.2Very high92.9Very high25 Ų2551.1 Ų51.19%0.09429%0.291CS..EExtended strand (participates in β ladder)trans-107.4139.4171.9-170-17477.3165.79.4110.2Y34 Y35 W36 F107 D108 Y109Y34-R99 HydrophobicContact CD1-CG 4.36Å; Y34-R99 HydrophobicContact CG-CG 4.25Å; Y35-R99 WeakPolarHBondContact O-CA 3.24Å; W36-R99 HydrophobicContact CE3-CB 4Å; W36-R99 HydrophobicContact CE3-CG 4.01Å; W36-R99 HydrophobicContact CH2-CB 4.38Å; W36-R99 HydrophobicContact CH2-CG 3.89Å; W36-R99 HydrophobicContact CZ2-CG 4.42Å; W36-R99 HydrophobicContact CZ3-CB 3.68Å; W36-R99 HydrophobicContact CZ3-CG 3.64Å; R99-F107 CarbonylContact O-C 3.55Å; R99-F107 WeakPolarHBondContact O-CA 3.12Å; R99-F107 WeakPolarHBondContact O-CD1 3.29Å; R99-D108 IonicContact CZ-OD1 2.99Å; R99-D108 IonicContact CZ-OD2 3.74Å; R99-D108 IonicContact NE-OD1 3.97Å; R99-D108 PolarHBondContact NE-OD1 2.83Å; R99-D108 IonicContact NE-OD2 3.78Å; R99-D108 PolarHBondContact NE-OD2 3.44Å; R99-D108 IonicContact NH2-OD1 3.66Å; R99-D108 IonicContact NH2-OD2 3.36Å; R99-D108 PolarHBondContact NH2-OD2 2.96Å; R99-D108 PolarHBondContact O-N 2.8Å; R99-Y109 PolarHBondContact N-O 2.87Å
100R93.1Very high92.9Very high69 Ų6952.9 Ų52.926%0.2629%0.285SS..EExtended strand (participates in β ladder)trans-124.2128.8168.6-164.6-169.680.1157.32.6109.8Y35 S104 H106 F107Y35-R100 PolarHBondContact N-O 3.32Å; Y35-R100 PolarHBondContact O-N 2.95Å; R100-S104 WeakPolarHBondContact CD-O 3.33Å; R100-S104 PolarHBondContact NE-O 3.05Å; R100-H106 WeakPolarHBondContact CG-O 3.48Å; R100-F107 HydrophobicContact CB-CD1 3.79Å; R100-F107 HydrophobicContact CB-CE1 3.87Å
101D90.5Very high93.1Very high52 Ų5249.7 Ų49.728%0.27826%0.259SS..EExtended strand (participates in β ladder)trans-67.8138.3166.2-166.4-64.8000110.5G33 Y34 G103 S104G33-D101 CarbonylContact O-C 3.48Å; Y34-D101 WeakPolarHBondContact CE1-OD2 3.41Å; D101-G103 PolarHBondContact O-N 3.21Å; D101-G103 PolarHBondContact OD1-N 3.07Å; D101-S104 PolarHBondContact O-N 3.32Å; D101-S104 VanDerWaalsContact O-O 3.04Å
102S84.3Confident93Very high61 Ų6158.1 Ų58.143%0.42730%0.298SS..THydrogen-bonded Turntrans-60.8-27.8179.360.90000113.7G33 S104G33-S102 WeakPolarHBondContact CA-OG 3.25Å; G33-S102 WeakPolarHBondContact O-CB 3.39Å; G33-S102 PolarHBondContact O-N 3.25Å; G33-S102 PolarHBondContact O-OG 2.87Å; S102-S104 VanDerWaalsContact C-N 3.33Å
103G84.8Confident93Very high74 Ų7457.8 Ų57.876%0.76330%0.3SS*.THydrogen-bonded Turntrans-86.5-1.3173.400000113.9D101D101-G103 PolarHBondContact O-N 3.21Å; D101-G103 PolarHBondContact OD1-N 3.07Å
104S84Confident93Very high36 Ų3659.1 Ų59.125%0.25231%0.309SS..  trans-115.2148.5-176.9-176.30000112.1R100 D101 S102 H106R100-S104 WeakPolarHBondContact CD-O 3.33Å; R100-S104 PolarHBondContact NE-O 3.05Å; D101-S104 PolarHBondContact O-N 3.32Å; D101-S104 VanDerWaalsContact O-O 3.04Å; S102-S104 VanDerWaalsContact C-N 3.33Å; S104-H106 PolarHBondContact OG-N 3.15Å; S104-H106 PolarHBondContact OG-O 3.03Å
105Q79.6Confident93Very high159 Ų15962 Ų6274%0.74332%0.323SS*.SBendtrans-88.5-9.2169-64.2-70.6-400112.5
106H84.6Confident93Very high142 Ų14262 Ų6266%0.65732%0.323SS*.SBendtrans-111145.9-171.8-56.292.5000112.1R100 S104R100-H106 WeakPolarHBondContact CG-O 3.48Å; S104-H106 PolarHBondContact OG-N 3.15Å; S104-H106 PolarHBondContact OG-O 3.03Å
107F90.5Very high93Very high55 Ų5562.7 Ų62.724%0.24133%0.331CS..EExtended strand (participates in β ladder)trans-76.7120.3168.8-68.4-73.5000109.9I39 W49 A98 R99 R100 W110I39-F107 HydrophobicContact CD1-CD2 4.49Å; I39-F107 HydrophobicContact CD1-CE1 4.29Å; I39-F107 HydrophobicContact CD1-CE2 4.14Å; I39-F107 HydrophobicContact CD1-CZ 4.04Å; I39-F107 HydrophobicContact CG1-CE2 4.33Å; W49-F107 AromaticContact CD1-CZ 3.82Å; A98-F107 HydrophobicContact CB-CB 4.04Å; A98-F107 HydrophobicContact CB-CD1 3.45Å; A98-F107 VanDerWaalsContact CB-CD1 3.45Å; A98-F107 HydrophobicContact CB-CE1 4.05Å; A98-F107 HydrophobicContact CB-CG 3.8Å; R99-F107 CarbonylContact O-C 3.55Å; R99-F107 WeakPolarHBondContact O-CA 3.12Å; R99-F107 WeakPolarHBondContact O-CD1 3.29Å; R100-F107 HydrophobicContact CB-CD1 3.79Å; R100-F107 HydrophobicContact CB-CE1 3.87Å; F107-W110 HydrophobicContact CB-CZ2 3.72Å; F107-W110 VanDerWaalsContact CB-NE1 3.3Å; F107-W110 HydrophobicContact CD2-CH2 4.35Å; F107-W110 AromaticContact CD2-CZ2 3.76Å; F107-W110 HydrophobicContact CD2-CZ2 3.76Å; F107-W110 AromaticContact CG-CZ2 3.97Å; F107-W110 HydrophobicContact CG-CZ2 3.97Å; F107-W110 PolarHBondContact O-NE1 2.77Å
108D90.3Very high93Very high67 Ų6763.1 Ų63.136%0.35833%0.333SS..EExtended strand (participates in β ladder)trans-97.3-19-172.858.4-10.4000113.6R99R99-D108 IonicContact CZ-OD1 2.99Å; R99-D108 IonicContact CZ-OD2 3.74Å; R99-D108 IonicContact NE-OD1 3.97Å; R99-D108 PolarHBondContact NE-OD1 2.83Å; R99-D108 IonicContact NE-OD2 3.78Å; R99-D108 PolarHBondContact NE-OD2 3.44Å; R99-D108 IonicContact NH2-OD1 3.66Å; R99-D108 IonicContact NH2-OD2 3.36Å; R99-D108 PolarHBondContact NH2-OD2 2.96Å; R99-D108 PolarHBondContact O-N 2.8Å
109Y94.6Very high92.8Very high87 Ų8765 Ų6534%0.34135%0.347SS..EExtended strand (participates in β ladder)trans-135142.7172.4-67.6-98.5000110.8L2 A98 R99L2-Y109 HydrophobicContact CB-CD1 3.93Å; L2-Y109 HydrophobicContact CB-CE1 3.72Å; L2-Y109 HydrophobicContact CD2-CD1 3.86Å; L2-Y109 HydrophobicContact CD2-CD2 3.71Å; L2-Y109 HydrophobicContact CD2-CE1 4.18Å; L2-Y109 HydrophobicContact CD2-CE2 4.1Å; L2-Y109 HydrophobicContact CD2-CG 3.6Å; L2-Y109 HydrophobicContact CG-CD1 4.22Å; L2-Y109 HydrophobicContact CG-CE1 4.45Å; L2-Y109 HydrophobicContact CG-CG 4.41Å; A98-Y109 CarbonylContact C-O 3.47Å; A98-Y109 WeakPolarHBondContact CA-O 3.38Å; A98-Y109 WeakPolarHBondContact CB-O 3.26Å; R99-Y109 PolarHBondContact N-O 2.87Å
110W97.5Very high92.2Very high99 Ų9971.6 Ų71.638%0.37540%0.397SS..EExtended strand (participates in β ladder)trans-132.3144.6-179.5-70.375000110I39 L47 Y96 C97 A98 F107I39-W110 HydrophobicContact CB-CH2 4.17Å; I39-W110 HydrophobicContact CB-CZ3 3.96Å; I39-W110 HydrophobicContact CD1-CH2 3.86Å; I39-W110 HydrophobicContact CD1-CZ3 3.89Å; I39-W110 HydrophobicContact CG1-CH2 3.87Å; I39-W110 HydrophobicContact CG1-CZ3 4.06Å; I39-W110 HydrophobicContact CG2-CH2 4.11Å; I39-W110 HydrophobicContact CG2-CZ3 4.11Å; L47-W110 HydrophobicContact CD1-CH2 4.09Å; Y96-W110 HydrophobicContact CG-CE3 4.23Å; Y96-W110 HydrophobicContact CG-CZ3 4.27Å; C97-W110 WeakPolarHBondContact O-CA 3.19Å; A98-W110 HydrophobicContact CB-CD2 3.94Å; A98-W110 HydrophobicContact CB-CE3 4.16Å; A98-W110 HydrophobicContact CB-CG 4.33Å; A98-W110 HydrophobicContact CB-CZ2 4.44Å; A98-W110 HydrophobicContact CB-CZ3 4.5Å; F107-W110 HydrophobicContact CB-CZ2 3.72Å; F107-W110 VanDerWaalsContact CB-NE1 3.3Å; F107-W110 HydrophobicContact CD2-CH2 4.35Å; F107-W110 AromaticContact CD2-CZ2 3.76Å; F107-W110 HydrophobicContact CD2-CZ2 3.76Å; F107-W110 AromaticContact CG-CZ2 3.97Å; F107-W110 HydrophobicContact CG-CZ2 3.97Å; F107-W110 PolarHBondContact O-NE1 2.77Å
111G98Very high92.2Very high5 Ų571.8 Ų71.85%0.05240%0.404CS..  trans-76.1170.6162.700000111.3L4 E6 C97 G113L4-G111 WeakPolarHBondContact O-CA 3.32Å; E6-G111 VanDerWaalsContact OE1-CA 3.26Å; E6-G111 WeakPolarHBondContact OE1-CA 3.35Å; C97-G111 PolarHBondContact O-N 3.26Å; G111-G113 PolarHBondContact O-N 3.37Å
112Q97.4Very high92.3Very high178 Ų17872.8 Ų72.883%0.83241%0.41SS*.  trans-74.3-15.9-180-63.9-61.1-54.100112.1E6E6-Q112 PolarHBondContact OE2-N 3.13Å
113G98.1Very high92.7Very high22 Ų2273.4 Ų73.423%0.22741%0.409CS..  trans87.3154.4-177.400000112.9E6 Y95 Y96 G111E6-G113 PolarHBondContact OE1-N 3.44Å; E6-G113 PolarHBondContact OE2-N 3.31Å; Y95-G113 CarbonylContact O-C 3.58Å; Y95-G113 WeakPolarHBondContact O-CA 3.27Å; Y96-G113 VanDerWaalsContact CD1-CA 3.41Å; G111-G113 PolarHBondContact O-N 3.37Å
114T98.4Very high93.2Very high30 Ų3073.4 Ų73.418%0.18439%0.388CS..EExtended strand (participates in β ladder)trans-127.4130.4174-173.50000110.4E6 L20 V94 Y95 V116E6-T114 HydrophobicContact CB-CG2 3.76Å; E6-T114 HydrophobicContact CG-CG2 4.44Å; L20-T114 HydrophobicContact CD1-CG2 4.28Å; L20-T114 HydrophobicContact CD2-CG2 4.15Å; V94-T114 CarbonylContact C-O 3.55Å; V94-T114 WeakPolarHBondContact CA-O 3.48Å; Y95-T114 PolarHBondContact N-O 3.36Å; Y95-T114 PolarHBondContact O-N 3.39Å; T114-V116 HydrophobicContact CG2-CG2 4.42Å; T114-V116 PolarHBondContact O-N 3.04Å
115L98.4Very high93.7Very high100 Ų10075.8 Ų75.852%0.52440%0.397SS..EExtended strand (participates in β ladder)trans-76.3124.7174.9177.262.7000109.3V94V94-L115 HydrophobicContact CG2-CD1 4.21Å
116V98.5Very high94.7Very high0 Ų070.2 Ų70.20%037%0.374CS..EExtended strand (participates in β ladder)trans-116.6125.5169.5-177.40000108.6V12 L18 L20 T92 A93 Y95 T114V12-V116 HydrophobicContact CG2-CG1 4.31Å; L18-V116 HydrophobicContact CD1-CG1 3.77Å; L18-V116 HydrophobicContact CD1-CG2 4.11Å; L18-V116 HydrophobicContact CD2-CB 4.47Å; L18-V116 HydrophobicContact CD2-CG1 3.97Å; L18-V116 HydrophobicContact CD2-CG2 4.33Å; L18-V116 HydrophobicContact CG-CG1 4.48Å; L20-V116 HydrophobicContact CD1-CG2 4.32Å; L20-V116 HydrophobicContact CD2-CG2 4.03Å; T92-V116 WeakPolarHBondContact CA-O 3.45Å; A93-V116 PolarHBondContact N-O 3.45Å; A93-V116 VanDerWaalsContact N-O 3.13Å; A93-V116 PolarHBondContact O-N 3.42Å; Y95-V116 HydrophobicContact CD2-CB 3.89Å; Y95-V116 HydrophobicContact CD2-CG2 3.69Å; Y95-V116 HydrophobicContact CE2-CB 3.83Å; Y95-V116 HydrophobicContact CE2-CG2 4.07Å; Y95-V116 HydrophobicContact CG-CG2 4.5Å; T114-V116 HydrophobicContact CG2-CG2 4.42Å; T114-V116 PolarHBondContact O-N 3.04Å
117T98.4Very high95.4Very high56 Ų5665.1 Ų65.134%0.34435%0.354SS..EExtended strand (participates in β ladder)trans-104.4134.9172.7-54.10000109.6G10 L11 V12G10-T117 PolarHBondContact O-N 2.6Å; L11-T117 CarbonylContact C-O 3.58Å; L11-T117 WeakPolarHBondContact CA-O 3.48Å; L11-T117 HydrophobicContact CD1-CG2 3.93Å; V12-T117 PolarHBondContact N-O 2.71Å
118V98.1Very high95.8Very high8 Ų865.8 Ų65.85%0.04836%0.362CS..EExtended strand (participates in β ladder)trans-106.6114.8172.3-1740000109.1V12 A14 V87 T88 D91 T92V12-V118 CarbonylContact O-C 3.59Å; V12-V118 VanDerWaalsContact O-CA 3.25Å; V12-V118 WeakPolarHBondContact O-CA 3.43Å; A14-V118 HydrophobicContact CB-CG1 4.44Å; V87-V118 HydrophobicContact CB-CG1 4.28Å; V87-V118 HydrophobicContact CB-CG2 4.16Å; V87-V118 HydrophobicContact CG2-CG1 3.74Å; V87-V118 HydrophobicContact CG2-CG2 4.13Å; T88-V118 WeakPolarHBondContact O-CB 3.43Å; T88-V118 WeakPolarHBondContact O-CG1 3.4Å; T88-V118 WeakPolarHBondContact O-CG2 3.46Å; D91-V118 HydrophobicContact CB-CG2 4.31Å; T92-V118 PolarHBondContact OG1-N 2.79Å
119S94.8Very high96.2Very high41 Ų4165.8 Ų65.829%0.28736%0.363SS..EExtended strand (participates in β ladder)trans-78.9134.8176.362.20000110.8V12 A14V12-S119 PolarHBondContact O-N 3.22Å; A14-S119 WeakPolarHBondContact CB-O 3.44Å; A14-S119 PolarHBondContact N-O 2.92Å
120S82.8Confident96.4Very high163 Ų16363.8 Ų63.8100%1.1437%0.365SS*.  trans-65.70167.650.10000112.7

Retrieved 120 of 120 residues in 179.7 ms (Link to these results)

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