A0A068LL56_HUMAN Loading...

Ig heavy chain variable region

AlphaFold DB , UniProt , Accession A0A068LL56, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 122 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
1Q78.2Confident93.3Very high191 Ų19169.1 Ų69.189%0.89339%0.392SS*.  0138.20-175.5175.99.600107.7
2L88Confident93.6Very high13 Ų1363.9 Ų63.97%0.06836%0.363CS..  trans-68.5129.8-180-165.8152.5000110.1L4 V24 S25 D27 Y34 W36 Y111L2-L4 HydrophobicContact CD2-CD2 4Å; L2-L4 HydrophobicContact CD2-CG 4.09Å; L2-V24 HydrophobicContact CD2-CG1 4.47Å; L2-V24 HydrophobicContact CG-CG1 4.42Å; L2-S25 CarbonylContact C-O 3.59Å; L2-S25 WeakPolarHBondContact CA-O 3.06Å; L2-D27 HydrophobicContact CB-CB 4.42Å; L2-D27 HydrophobicContact CD1-CB 3.55Å; L2-D27 HydrophobicContact CG-CB 4.02Å; L2-Y34 HydrophobicContact CD1-CE1 4.05Å; L2-Y34 HydrophobicContact CD1-CE2 4.48Å; L2-W36 HydrophobicContact CD1-CH2 4.03Å; L2-W36 HydrophobicContact CD2-CH2 4.42Å; L2-W36 HydrophobicContact CD2-CZ3 4.34Å; L2-Y111 HydrophobicContact CB-CD1 3.96Å; L2-Y111 HydrophobicContact CB-CE1 3.81Å; L2-Y111 HydrophobicContact CD1-CD2 4.47Å; L2-Y111 HydrophobicContact CD1-CE2 4.41Å; L2-Y111 HydrophobicContact CD2-CD1 3.76Å; L2-Y111 HydrophobicContact CD2-CD2 4.18Å; L2-Y111 HydrophobicContact CD2-CE1 4.39Å; L2-Y111 HydrophobicContact CD2-CG 3.65Å; L2-Y111 HydrophobicContact CG-CD1 4.34Å
3Q93.4Very high93.8Very high95 Ų9569.3 Ų69.344%0.44438%0.38SS..EExtended strand (participates in β ladder)trans-132.2142.8-179-64.3-64-17.800110.3S25Q3-S25 PolarHBondContact N-O 3.21Å; Q3-S25 PolarHBondContact O-N 2.85Å
4L96.1Very high94Very high9 Ų968.1 Ų68.15%0.04738%0.377CS..EExtended strand (participates in β ladder)trans-119.3131.1-180-64.6-175.7000109.5L2 V24 W36 G113L2-L4 HydrophobicContact CD2-CD2 4Å; L2-L4 HydrophobicContact CD2-CG 4.09Å; L4-V24 HydrophobicContact CD2-CB 4.3Å; L4-V24 HydrophobicContact CD2-CG1 4.25Å; L4-V24 HydrophobicContact CD2-CG2 3.73Å; L4-W36 HydrophobicContact CD2-CE3 4.3Å; L4-W36 HydrophobicContact CD2-CZ3 3.86Å; L4-G113 WeakPolarHBondContact O-CA 3.26Å
5Q97.1Very high94.1Very high133 Ų13370.1 Ų70.162%0.62140%0.397SS*.EExtended strand (participates in β ladder)trans-134.4113.7-178.8-171.2172.931.300111.9C22 T23Q5-C22 CarbonylContact O-C 3.43Å; Q5-C22 WeakPolarHBondContact O-CA 3.41Å; Q5-T23 PolarHBondContact N-O 3.35Å; Q5-T23 PolarHBondContact O-N 3.27Å
6E98Very high94.3Very high22 Ų2271.4 Ų71.410%0.10340%0.399CS..EExtended strand (participates in β ladder)trans-75.1148.3174.3-5886.6164.200112.3K21 W38 Y96 C97 G113 Q114 G115E6-K21 CarbonylContact C-O 3.59Å; E6-K21 WeakPolarHBondContact CA-O 3.43Å; E6-W38 HydrophobicContact CG-CH2 4.14Å; E6-W38 HydrophobicContact CG-CZ3 3.94Å; E6-Y96 VanDerWaalsContact OE1-CA 3.32Å; E6-Y96 WeakPolarHBondContact OE1-CA 3.38Å; E6-C97 HydrophobicContact CG-CB 4.08Å; E6-C97 VanDerWaalsContact CG-SG 3.56Å; E6-C97 PolarHBondContact OE1-N 3.1Å; E6-C97 PolarHBondContact OE1-SG 3.03Å; E6-G113 VanDerWaalsContact OE1-CA 3.24Å; E6-G113 WeakPolarHBondContact OE1-CA 3.37Å; E6-G113 WeakPolarHBondContact OE2-CA 3.48Å; E6-Q114 PolarHBondContact OE2-N 3.37Å; E6-G115 PolarHBondContact OE1-N 3.29Å; E6-G115 PolarHBondContact OE2-N 3.43Å; E6-G115 VanDerWaalsContact OE2-N 3.15Å
7S96.9Very high94.4Very high44 Ų4471.7 Ų71.731%0.30840%0.403SS..EExtended strand (participates in β ladder)trans-154.2147.1171.853.60000110.2K21S7-K21 PolarHBondContact N-O 3.49Å; S7-K21 PolarHBondContact O-N 3.31Å; S7-K21 WeakPolarHBondContact OG-CE 3.5Å; S7-K21 PolarHBondContact OG-O 2.77Å
8G95Very high94.6Very high44 Ų4467.8 Ų67.845%0.45438%0.381SS..SBendtrans164.2-172.9-179.200000111.8
9P93.5Very high94.7Very high49 Ų4967 Ų6732%0.31838%0.381SS..  trans-71.7136.2178.930.2-34.3000111.2V12 L18 S19P9-V12 HydrophobicContact CB-CG2 3.94Å; P9-V12 HydrophobicContact CG-CG2 3.65Å; P9-L18 HydrophobicContact CG-CD1 3.66Å; P9-S19 VanDerWaalsContact CD-O 3.31Å; P9-S19 WeakPolarHBondContact CD-O 3.21Å
10G93.7Very high94.9Very high43 Ų4363.7 Ų63.744%0.44336%0.362SS..SBendtrans-81.4-22.2173.600000114T119G10-T119 PolarHBondContact O-N 3.07Å
11L96.4Very high95.1Very high117 Ų11763.8 Ų63.861%0.61336%0.358SS*.EExtended strand (participates in β ladder)trans-135.5133.8178.4-177.267000109.6T119L11-T119 CarbonylContact C-O 3.56Å; L11-T119 VanDerWaalsContact CA-O 3.31Å; L11-T119 WeakPolarHBondContact CA-O 3.29Å; L11-T119 HydrophobicContact CD1-CG2 3.94Å
12V96.4Very high96Very high7 Ų754.7 Ų54.74%0.04232%0.316CS..EExtended strand (participates in β ladder)trans-136.3148.2-179.8-173.90000109.2P9 E16 L18 V87 V118 T119 V120 S121P9-V12 HydrophobicContact CB-CG2 3.94Å; P9-V12 HydrophobicContact CG-CG2 3.65Å; V12-E16 HydrophobicContact CG1-CB 3.71Å; V12-E16 WeakPolarHBondContact CG1-OE2 3.33Å; V12-L18 HydrophobicContact CG2-CD1 4.04Å; V12-V87 HydrophobicContact CB-CG2 4.47Å; V12-V87 HydrophobicContact CG1-CG2 3.79Å; V12-V118 HydrophobicContact CG2-CG1 4.18Å; V12-T119 PolarHBondContact N-O 2.77Å; V12-V120 VanDerWaalsContact O-CA 3.29Å; V12-V120 WeakPolarHBondContact O-CA 3.33Å; V12-S121 PolarHBondContact O-N 2.58Å
13K96.9Very high96.4Very high134 Ų13455.5 Ų55.558%0.58332%0.321SS*.  trans-87.2156.8176.2-63.4178.5-179.9176.60111.5E16 V87K13-E16 HydrophobicContact CB-CG 4.11Å; K13-E16 PolarHBondContact N-OE2 3.04Å; K13-E16 WeakPolarHBondContact O-CB 3.32Å; K13-E16 PolarHBondContact O-N 2.79Å; K13-V87 VanDerWaalsContact O-CG2 3.3Å; K13-V87 WeakPolarHBondContact O-CG2 3.3Å
14P96.8Very high96.5Very high53 Ų5351.2 Ų51.234%0.34430%0.302SS..THydrogen-bonded Turntrans-54147.9173-27.336.1000112.2E16 V87 V120 S121P14-E16 PolarHBondContact O-N 2.98Å; P14-E16 VanDerWaalsContact O-N 3.12Å; P14-V87 WeakPolarHBondContact CA-O 3.36Å; P14-V120 HydrophobicContact CG-CG1 4.31Å; P14-S121 WeakPolarHBondContact CD-O 3.4Å; P14-S121 WeakPolarHBondContact CG-O 3.4Å
15S95.6Very high96.4Very high97 Ų9753.6 Ų53.668%0.67832%0.319SS*.THydrogen-bonded Turntrans68.7-8.7-178.5-48.80000116.1V87S15-V87 PolarHBondContact N-O 3.44Å
16E96.5Very high96Very high91 Ų9150.4 Ų50.443%0.42532%0.322SS..SBendtrans-72.6172.6173-66-177.4160.800111.8V12 K13 P14 S86 V87V12-E16 HydrophobicContact CG1-CB 3.71Å; V12-E16 WeakPolarHBondContact CG1-OE2 3.33Å; K13-E16 HydrophobicContact CB-CG 4.11Å; K13-E16 PolarHBondContact N-OE2 3.04Å; K13-E16 WeakPolarHBondContact O-CB 3.32Å; K13-E16 PolarHBondContact O-N 2.79Å; P14-E16 PolarHBondContact O-N 2.98Å; P14-E16 VanDerWaalsContact O-N 3.12Å; E16-S86 PolarHBondContact O-N 2.94Å; E16-V87 PolarHBondContact O-N 3.04Å; E16-V87 VanDerWaalsContact O-N 3.12Å
17T96.9Very high95.4Very high77 Ų7752.4 Ų52.447%0.47233%0.333SS..PPolyproline II helixtrans-101.9118173.4-61.80000109.7K83 L84 R85T17-K83 HydrophobicContact CG2-CB 4.39Å; T17-L84 CarbonylContact C-O 3.59Å; T17-L84 WeakPolarHBondContact CA-O 3.38Å; T17-R85 HydrophobicContact CG2-CG 4.23Å
18L97Very high94.9Very high1 Ų152 Ų521%0.00533%0.33CS..EExtended strand (participates in β ladder)trans-74.1130167.8169.463.4000109.2P9 V12 L20 K83 L84 V87 F95 V118P9-L18 HydrophobicContact CG-CD1 3.66Å; V12-L18 HydrophobicContact CG2-CD1 4.04Å; L18-L20 HydrophobicContact CD1-CD2 3.79Å; L18-L20 HydrophobicContact CD1-CG 3.95Å; L18-L20 HydrophobicContact CD2-CD1 4.32Å; L18-L20 HydrophobicContact CD2-CG 4.33Å; L18-L20 HydrophobicContact CG-CD2 4.48Å; L18-L20 HydrophobicContact CG-CG 4.1Å; L18-K83 CarbonylContact O-C 3.6Å; L18-K83 VanDerWaalsContact O-CA 3.3Å; L18-K83 WeakPolarHBondContact O-CA 3.38Å; L18-L84 HydrophobicContact CB-CB 4.32Å; L18-L84 PolarHBondContact N-O 3.12Å; L18-L84 PolarHBondContact O-N 3.17Å; L18-V87 HydrophobicContact CB-CG1 3.78Å; L18-F95 HydrophobicContact CD2-CE1 4.22Å; L18-F95 HydrophobicContact CD2-CE2 3.98Å; L18-F95 HydrophobicContact CD2-CZ 3.77Å; L18-V118 HydrophobicContact CD1-CG1 3.79Å; L18-V118 HydrophobicContact CD1-CG2 4.08Å; L18-V118 HydrophobicContact CD2-CB 4.47Å; L18-V118 HydrophobicContact CD2-CG1 3.98Å; L18-V118 HydrophobicContact CD2-CG2 4.3Å; L18-V118 HydrophobicContact CG-CG1 4.49Å
19S97.8Very high94.5Very high53 Ų5349.9 Ų49.937%0.37131%0.309SS..EExtended strand (participates in β ladder)trans-124.7111.6173.7-172.20000109.8P9 L82P9-S19 VanDerWaalsContact CD-O 3.31Å; P9-S19 WeakPolarHBondContact CD-O 3.21Å; S19-L82 CarbonylContact C-O 3.57Å; S19-L82 WeakPolarHBondContact CA-O 3.4Å
20L98.3Very high94.1Very high1 Ų151.5 Ų51.51%0.00531%0.314CS..EExtended strand (participates in β ladder)trans-107.9152.6174-60.2180000110.6L18 W38 Y81 L82 F95 V118L18-L20 HydrophobicContact CD1-CD2 3.79Å; L18-L20 HydrophobicContact CD1-CG 3.95Å; L18-L20 HydrophobicContact CD2-CD1 4.32Å; L18-L20 HydrophobicContact CD2-CG 4.33Å; L18-L20 HydrophobicContact CG-CD2 4.48Å; L18-L20 HydrophobicContact CG-CG 4.1Å; L20-W38 HydrophobicContact CB-CH2 3.65Å; L20-W38 HydrophobicContact CB-CZ2 4.12Å; L20-W38 HydrophobicContact CB-CZ3 4.08Å; L20-W38 HydrophobicContact CD1-CH2 4.4Å; L20-W38 HydrophobicContact CD1-CZ3 3.97Å; L20-Y81 CarbonylContact O-C 3.44Å; L20-Y81 VanDerWaalsContact O-CA 3.23Å; L20-Y81 WeakPolarHBondContact O-CA 3.4Å; L20-Y81 WeakPolarHBondContact O-CB 3.46Å; L20-L82 HydrophobicContact CB-CB 4.32Å; L20-L82 HydrophobicContact CD1-CD2 4.29Å; L20-L82 PolarHBondContact N-O 2.98Å; L20-L82 PolarHBondContact O-N 2.86Å; L20-F95 HydrophobicContact CD1-CB 3.34Å; L20-F95 HydrophobicContact CD1-CD1 3.72Å; L20-F95 HydrophobicContact CD1-CD2 4.02Å; L20-F95 HydrophobicContact CD1-CG 3.42Å; L20-F95 VanDerWaalsContact CD1-CG 3.42Å; L20-V118 HydrophobicContact CD1-CG2 4.31Å; L20-V118 HydrophobicContact CD2-CG2 3.99Å
21K98.1Very high93.6Very high65 Ų6550.8 Ų50.828%0.28330%0.303SS..EExtended strand (participates in β ladder)trans-130.4136.6177.2177.2-17779.9161.80109.3E6 S7 Q79 Y81E6-K21 CarbonylContact C-O 3.59Å; E6-K21 WeakPolarHBondContact CA-O 3.43Å; S7-K21 PolarHBondContact N-O 3.49Å; S7-K21 PolarHBondContact O-N 3.31Å; S7-K21 WeakPolarHBondContact OG-CE 3.5Å; S7-K21 PolarHBondContact OG-O 2.77Å; K21-Q79 HydrophobicContact CD-CG 4.12Å; K21-Q79 HydrophobicContact CG-CB 4.36Å; K21-Q79 HydrophobicContact CG-CG 4.19Å; K21-Y81 HydrophobicContact CB-CD1 3.7Å; K21-Y81 HydrophobicContact CB-CE1 3.82Å; K21-Y81 HydrophobicContact CD-CD1 4.34Å; K21-Y81 HydrophobicContact CD-CE1 3.58Å; K21-Y81 HydrophobicContact CG-CD1 3.76Å; K21-Y81 HydrophobicContact CG-CE1 3.43Å; K21-Y81 VanDerWaalsContact CG-CE1 3.43Å
22C97.8Very high92.8Very high0 Ų049.1 Ų49.10%030%0.298CS..EExtended strand (participates in β ladder)trans-114128.9167.3-1770000109.6Q5 W38 Q79 F80 C97Q5-C22 CarbonylContact O-C 3.43Å; Q5-C22 WeakPolarHBondContact O-CA 3.41Å; C22-W38 HydrophobicContact CB-CH2 3.95Å; C22-W38 HydrophobicContact CB-CZ2 3.76Å; C22-Q79 VanDerWaalsContact O-CA 3.29Å; C22-Q79 WeakPolarHBondContact O-CA 3.43Å; C22-F80 HydrophobicContact CB-CD1 3.91Å; C22-F80 HydrophobicContact CB-CD2 4.37Å; C22-F80 HydrophobicContact CB-CE1 3.51Å; C22-F80 HydrophobicContact CB-CE2 3.98Å; C22-F80 HydrophobicContact CB-CG 4.35Å; C22-F80 HydrophobicContact CB-CZ 3.59Å; C22-F80 PolarHBondContact N-O 2.77Å; C22-F80 PolarHBondContact O-N 2.74Å; C22-F80 WeakPolarHBondContact SG-CE1 3.37Å; C22-F80 VanDerWaalsContact SG-CZ 3.54Å; C22-C97 HydrophobicContact CB-CB 3.31Å; C22-C97 WeakPolarHBondContact CB-SG 3.3Å; C22-C97 WeakPolarHBondContact SG-CB 3.41Å; C22-C97 CovalentContact SG-SG 2.04Å; C22-C97 PolarHBondContact SG-SG 2.79Å
23T97Very high92Very high31 Ų3151.3 Ų51.319%0.1931%0.313CS..EExtended strand (participates in β ladder)trans-99.4130.3175.5-51.50000109.1Q5 Q79Q5-T23 PolarHBondContact N-O 3.35Å; Q5-T23 PolarHBondContact O-N 3.27Å; T23-Q79 HydrophobicContact CG2-CG 4.26Å
24V95.1Very high91.4Very high5 Ų545.2 Ų45.23%0.0329%0.287CS..EExtended strand (participates in β ladder)trans-98.4122.8176-174.60000108.6L2 L4 I29 W36 N78 F80L2-V24 HydrophobicContact CD2-CG1 4.47Å; L2-V24 HydrophobicContact CG-CG1 4.42Å; L4-V24 HydrophobicContact CD2-CB 4.3Å; L4-V24 HydrophobicContact CD2-CG1 4.25Å; L4-V24 HydrophobicContact CD2-CG2 3.73Å; V24-I29 HydrophobicContact CG2-CB 4.37Å; V24-I29 HydrophobicContact CG2-CD1 3.83Å; V24-I29 HydrophobicContact CG2-CG1 3.98Å; V24-W36 HydrophobicContact CG1-CH2 3.85Å; V24-W36 HydrophobicContact CG1-CZ2 4.37Å; V24-W36 HydrophobicContact CG1-CZ3 4.32Å; V24-W36 HydrophobicContact CG2-CE3 4.3Å; V24-W36 HydrophobicContact CG2-CH2 4.25Å; V24-W36 HydrophobicContact CG2-CZ2 4.5Å; V24-W36 HydrophobicContact CG2-CZ3 4.16Å; V24-N78 PolarHBondContact N-O 2.84Å; V24-F80 HydrophobicContact CG2-CD1 4.16Å; V24-F80 HydrophobicContact CG2-CE1 3.99Å
25S93.6Very high91.1Very high59 Ų5945 Ų4541%0.41328%0.279SS..EExtended strand (participates in β ladder)trans-122.2145.5179.8-66.90000110.8L2 Q3 D27L2-S25 CarbonylContact C-O 3.59Å; L2-S25 WeakPolarHBondContact CA-O 3.06Å; Q3-S25 PolarHBondContact N-O 3.21Å; Q3-S25 PolarHBondContact O-N 2.85Å; S25-D27 VanDerWaalsContact C-N 3.29Å; S25-D27 PolarHBondContact O-N 3.3Å
26G88.4Confident91Very high66 Ų6640.4 Ų40.468%0.6825%0.247SC*.SBendtrans80.1317600000115.6
27D85.5Confident90.8Very high64 Ų6436 Ų3634%0.34223%0.227SC..SBendtrans-156.1171.5167.1-155.9-14.3000108.5L2 S25 Y34L2-D27 HydrophobicContact CB-CB 4.42Å; L2-D27 HydrophobicContact CD1-CB 3.55Å; L2-D27 HydrophobicContact CG-CB 4.02Å; S25-D27 VanDerWaalsContact C-N 3.29Å; S25-D27 PolarHBondContact O-N 3.3Å; D27-Y34 WeakPolarHBondContact OD2-CE2 2.94Å; D27-Y34 PolarHBondContact OD2-OH 2.85Å
28S86.3Confident90.8Very high35 Ų3532.4 Ų32.425%0.24520%0.204CC..  trans-94.6132.2178.8-170.70000111.8N30 S31S28-N30 VanDerWaalsContact CB-OD1 3.29Å; S28-N30 WeakPolarHBondContact CB-OD1 3.36Å; S28-N30 PolarHBondContact O-N 2.86Å; S28-N30 PolarHBondContact OG-ND2 3.19Å; S28-N30 PolarHBondContact OG-OD1 3.31Å; S28-S31 PolarHBondContact O-N 3.05Å
29I87.9Confident90.8Very high0 Ų032.6 Ų32.60%021%0.205CC..THydrogen-bonded Turntrans-66.3-19.6178.9-156.8171.1000112.5V24 S31 W36 Y55 V73 T75 N78 Q79 F80V24-I29 HydrophobicContact CG2-CB 4.37Å; V24-I29 HydrophobicContact CG2-CD1 3.83Å; V24-I29 HydrophobicContact CG2-CG1 3.98Å; I29-S31 VanDerWaalsContact C-N 3.29Å; I29-S31 PolarHBondContact O-N 3.12Å; I29-W36 HydrophobicContact CG1-CD2 4.16Å; I29-W36 HydrophobicContact CG1-CG 4.23Å; I29-W36 HydrophobicContact CG1-CZ2 4.03Å; I29-W36 PolarHBondContact O-NE1 2.95Å; I29-W36 VanDerWaalsContact O-NE1 3.1Å; I29-Y55 WeakPolarHBondContact O-CB 3.33Å; I29-V73 HydrophobicContact CD1-CG2 3.74Å; I29-V73 HydrophobicContact CG1-CG2 4.2Å; I29-V73 HydrophobicContact CG2-CG2 4.48Å; I29-T75 HydrophobicContact CG2-CG2 4.07Å; I29-N78 HydrophobicContact CB-CB 4.45Å; I29-N78 HydrophobicContact CG2-CB 4.44Å; I29-N78 WeakPolarHBondContact CG2-OD1 3.37Å; I29-N78 PolarHBondContact N-OD1 2.9Å; I29-N78 VanDerWaalsContact N-OD1 3.08Å; I29-Q79 VanDerWaalsContact CD1-C 3.48Å; I29-Q79 WeakPolarHBondContact CD1-O 3.47Å; I29-F80 HydrophobicContact CD1-CB 4.08Å; I29-F80 HydrophobicContact CD1-CD1 3.74Å; I29-F80 HydrophobicContact CD1-CG 4.38Å
30N84.3Confident90.7Very high82 Ų8231.1 Ų31.144%0.43919%0.192SC..THydrogen-bonded Turntrans-84.44-176.772.35.6000114.3S28 T32 T75S28-N30 VanDerWaalsContact CB-OD1 3.29Å; S28-N30 WeakPolarHBondContact CB-OD1 3.36Å; S28-N30 PolarHBondContact O-N 2.86Å; S28-N30 PolarHBondContact OG-ND2 3.19Å; S28-N30 PolarHBondContact OG-OD1 3.31Å; N30-T32 PolarHBondContact O-N 3.1Å; N30-T75 HydrophobicContact CB-CG2 4.17Å
31S82.6Confident90.7Very high29 Ų2934.4 Ų34.420%0.20321%0.207CC..  trans-68132.3178.31630000110.7S28 I29 S33 Y34S28-S31 PolarHBondContact O-N 3.05Å; I29-S31 VanDerWaalsContact C-N 3.29Å; I29-S31 PolarHBondContact O-N 3.12Å; S31-S33 PolarHBondContact O-N 3.35Å; S31-S33 PolarHBondContact OG-N 3.25Å; S31-Y34 PolarHBondContact O-N 3.05Å; S31-Y34 WeakPolarHBondContact OG-CD2 3.31Å
32T80.2Confident90.6Very high81 Ų8131.7 Ų31.750%0.49720%0.196SC..THydrogen-bonded Turntrans-63.5-10.117654.30000113.8N30 Y54 Y55N30-T32 PolarHBondContact O-N 3.1Å; T32-Y54 WeakPolarHBondContact CA-OH 3.24Å; T32-Y54 WeakPolarHBondContact CB-OH 3.14Å; T32-Y54 PolarHBondContact O-OH 3.5Å; T32-Y55 HydrophobicContact CG2-CE1 3.54Å; T32-Y55 WeakPolarHBondContact CG2-OH 3.47Å
33S78.9Confident90.5Very high53 Ų5336.4 Ų36.437%0.37123%0.226SC..THydrogen-bonded Turntrans-89.2-1.3-178.4-57.70000113.2S31 R101 H102S31-S33 PolarHBondContact O-N 3.35Å; S31-S33 PolarHBondContact OG-N 3.25Å; S33-R101 CarbonylContact O-C 3.59Å; S33-R101 WeakPolarHBondContact O-CA 3.29Å; S33-H102 PolarHBondContact O-N 2.91Å
34Y85.2Confident90.5Very high7 Ų739.4 Ų39.43%0.02726%0.264CS..EExtended strand (participates in β ladder)trans-125.4144.2-173.8-61.3-82.3000115.3L2 D27 S31 W36 Y54 Q100 R101 Y111L2-Y34 HydrophobicContact CD1-CE1 4.05Å; L2-Y34 HydrophobicContact CD1-CE2 4.48Å; D27-Y34 WeakPolarHBondContact OD2-CE2 2.94Å; D27-Y34 PolarHBondContact OD2-OH 2.85Å; S31-Y34 PolarHBondContact O-N 3.05Å; S31-Y34 WeakPolarHBondContact OG-CD2 3.31Å; Y34-W36 HydrophobicContact CD1-CH2 4.24Å; Y34-W36 HydrophobicContact CD1-CZ2 4.48Å; Y34-W36 HydrophobicContact CD2-CH2 4.44Å; Y34-W36 HydrophobicContact CD2-CZ2 4.11Å; Y34-W36 HydrophobicContact CG-CH2 4.05Å; Y34-W36 AromaticContact CG-CZ2 3.85Å; Y34-W36 HydrophobicContact CG-CZ2 3.85Å; Y34-Y54 WeakPolarHBondContact O-CD2 3.42Å; Y34-Q100 VanDerWaalsContact CA-O 3.3Å; Y34-Q100 WeakPolarHBondContact CA-O 3.36Å; Y34-R101 HydrophobicContact CD1-CG 3.62Å; Y34-R101 HydrophobicContact CE1-CB 4.49Å; Y34-R101 HydrophobicContact CE1-CG 3.19Å; Y34-R101 PolarHBondContact OH-NE 3.02Å; Y34-R101 VanDerWaalsContact OH-NE 3.07Å; Y34-R101 PolarHBondContact OH-NH2 2.87Å; Y34-Y111 HydrophobicContact CE1-CD2 4.3Å; Y34-Y111 AromaticContact CE1-CE2 3.79Å; Y34-Y111 HydrophobicContact CE1-CE2 3.79Å
35Y89.6Confident90.5Very high48 Ų4845.2 Ų45.219%0.18829%0.288CS..EExtended strand (participates in β ladder)trans-109.8141.8158.5-73.8-95.6000109.7Y54 Y60 G99 Q100 H102Y35-Y54 HydrophobicContact CD1-CD2 4.19Å; Y35-Y54 HydrophobicContact CD2-CD2 4.34Å; Y35-Y54 AromaticContact CE1-CD2 3.84Å; Y35-Y54 HydrophobicContact CE1-CD2 3.84Å; Y35-Y54 HydrophobicContact CE1-CG 4.1Å; Y35-Y54 AromaticContact CE2-CD2 3.96Å; Y35-Y54 HydrophobicContact CE2-CD2 3.96Å; Y35-Y54 HydrophobicContact CE2-CE2 4.29Å; Y35-Y54 HydrophobicContact CG-CD2 4.44Å; Y35-Y54 AromaticContact CZ-CD2 3.72Å; Y35-Y60 HydrophobicContact CE1-CE2 4.09Å; Y35-G99 WeakPolarHBondContact O-CA 3.08Å; Y35-Q100 PolarHBondContact N-O 2.84Å; Y35-Q100 PolarHBondContact O-N 3.29Å; Y35-H102 AromaticContact CE2-CD2 3.69Å
36W93.3Very high90.6Very high0 Ų044.8 Ų44.80%029%0.294CS..EExtended strand (participates in β ladder)trans-112.1124.5-179.2-54.8107.3000109.6L2 L4 V24 I29 Y34 T52 I53 F80 A98L2-W36 HydrophobicContact CD1-CH2 4.03Å; L2-W36 HydrophobicContact CD2-CH2 4.42Å; L2-W36 HydrophobicContact CD2-CZ3 4.34Å; L4-W36 HydrophobicContact CD2-CE3 4.3Å; L4-W36 HydrophobicContact CD2-CZ3 3.86Å; V24-W36 HydrophobicContact CG1-CH2 3.85Å; V24-W36 HydrophobicContact CG1-CZ2 4.37Å; V24-W36 HydrophobicContact CG1-CZ3 4.32Å; V24-W36 HydrophobicContact CG2-CE3 4.3Å; V24-W36 HydrophobicContact CG2-CH2 4.25Å; V24-W36 HydrophobicContact CG2-CZ2 4.5Å; V24-W36 HydrophobicContact CG2-CZ3 4.16Å; I29-W36 HydrophobicContact CG1-CD2 4.16Å; I29-W36 HydrophobicContact CG1-CG 4.23Å; I29-W36 HydrophobicContact CG1-CZ2 4.03Å; I29-W36 PolarHBondContact O-NE1 2.95Å; I29-W36 VanDerWaalsContact O-NE1 3.1Å; Y34-W36 HydrophobicContact CD1-CH2 4.24Å; Y34-W36 HydrophobicContact CD1-CZ2 4.48Å; Y34-W36 HydrophobicContact CD2-CH2 4.44Å; Y34-W36 HydrophobicContact CD2-CZ2 4.11Å; Y34-W36 HydrophobicContact CG-CH2 4.05Å; Y34-W36 AromaticContact CG-CZ2 3.85Å; Y34-W36 HydrophobicContact CG-CZ2 3.85Å; W36-T52 CarbonylContact O-C 3.59Å; W36-T52 WeakPolarHBondContact O-CA 3.43Å; W36-I53 HydrophobicContact CB-CG2 4.04Å; W36-I53 PolarHBondContact N-O 3.39Å; W36-I53 PolarHBondContact O-N 3.4Å; W36-F80 HydrophobicContact CB-CD1 3.98Å; W36-F80 HydrophobicContact CB-CD2 3.98Å; W36-F80 HydrophobicContact CB-CE1 3.87Å; W36-F80 HydrophobicContact CB-CE2 3.9Å; W36-F80 HydrophobicContact CB-CG 4Å; W36-F80 HydrophobicContact CB-CZ 3.79Å; W36-F80 HydrophobicContact CD2-CE1 4.24Å; W36-F80 HydrophobicContact CE3-CE1 4.04Å; W36-F80 HydrophobicContact CE3-CZ 4.43Å; W36-F80 HydrophobicContact CG-CD1 4.23Å; W36-F80 HydrophobicContact CG-CE1 4.19Å; W36-A98 CarbonylContact C-O 3.51Å; W36-A98 WeakPolarHBondContact CA-O 3.39Å
37G94.3Very high90.9Very high0 Ų046.5 Ų46.50%029%0.287CS..EExtended strand (participates in β ladder)trans-120.2156-170.700000113.8G51 C97 A98G37-G51 VanDerWaalsContact CA-O 3.31Å; G37-G51 WeakPolarHBondContact CA-O 3.45Å; G37-C97 WeakPolarHBondContact O-CA 3.33Å; G37-A98 PolarHBondContact N-O 2.85Å; G37-A98 PolarHBondContact O-N 2.82Å
38W96.8Very high91.3Very high0 Ų045.9 Ų45.90%028%0.282CS..EExtended strand (participates in β ladder)trans-116.4134165.4-74.997.4000110E6 L20 C22 I50 G51 F80 L82 F95 Y96 C97E6-W38 HydrophobicContact CG-CH2 4.14Å; E6-W38 HydrophobicContact CG-CZ3 3.94Å; L20-W38 HydrophobicContact CB-CH2 3.65Å; L20-W38 HydrophobicContact CB-CZ2 4.12Å; L20-W38 HydrophobicContact CB-CZ3 4.08Å; L20-W38 HydrophobicContact CD1-CH2 4.4Å; L20-W38 HydrophobicContact CD1-CZ3 3.97Å; C22-W38 HydrophobicContact CB-CH2 3.95Å; C22-W38 HydrophobicContact CB-CZ2 3.76Å; W38-I50 HydrophobicContact CB-CB 4.19Å; W38-I50 HydrophobicContact CB-CD1 4.3Å; W38-I50 WeakPolarHBondContact O-CB 3.43Å; W38-I50 PolarHBondContact O-N 3.13Å; W38-G51 PolarHBondContact N-O 3.25Å; W38-F80 AromaticContact CD1-CD2 3.97Å; W38-F80 AromaticContact CD1-CE2 3.88Å; W38-F80 HydrophobicContact CD2-CE2 4.48Å; W38-F80 AromaticContact CE2-CE2 3.85Å; W38-F80 HydrophobicContact CZ2-CD2 4.46Å; W38-F80 HydrophobicContact CZ2-CE2 4.33Å; W38-F80 AromaticContact NE1-CD2 3.32Å; W38-F80 VanDerWaalsContact NE1-CD2 3.32Å; W38-F80 AromaticContact NE1-CE2 3.44Å; W38-L82 HydrophobicContact CB-CD1 4.47Å; W38-L82 HydrophobicContact CB-CD2 4.3Å; W38-L82 HydrophobicContact CD2-CB 3.79Å; W38-L82 HydrophobicContact CD2-CD2 4.14Å; W38-L82 HydrophobicContact CE3-CB 4.48Å; W38-L82 HydrophobicContact CE3-CD2 4.3Å; W38-L82 HydrophobicContact CG-CB 3.89Å; W38-L82 HydrophobicContact CG-CD1 4.35Å; W38-L82 HydrophobicContact CG-CD2 4.15Å; W38-L82 HydrophobicContact CG-CG 4.37Å; W38-L82 HydrophobicContact CZ2-CB 4.16Å; W38-F95 HydrophobicContact CE3-CB 4.44Å; W38-F95 HydrophobicContact CZ3-CB 4.33Å; W38-Y96 WeakPolarHBondContact CA-O 3.41Å; W38-C97 HydrophobicContact CD2-CB 4.38Å; W38-C97 HydrophobicContact CE3-CB 4.14Å; W38-C97 HydrophobicContact CH2-CB 4.03Å; W38-C97 HydrophobicContact CZ2-CB 4.27Å; W38-C97 HydrophobicContact CZ3-CB 3.96Å
39I96.3Very high91.6Very high5 Ų548.6 Ų48.63%0.02629%0.287CS..EExtended strand (participates in β ladder)trans-126.6145.7175-60.198.7000107.2L47 E48 F95 Y96 A98 F109 W112I39-L47 HydrophobicContact CG2-CB 3.84Å; I39-L47 HydrophobicContact CG2-CD2 3.74Å; I39-L47 HydrophobicContact CG2-CG 4.32Å; I39-E48 CarbonylContact C-O 3.59Å; I39-E48 WeakPolarHBondContact CA-O 3Å; I39-E48 WeakPolarHBondContact CG2-O 3.41Å; I39-F95 CarbonylContact O-C 3.58Å; I39-F95 WeakPolarHBondContact O-CA 3.39Å; I39-Y96 PolarHBondContact N-O 2.86Å; I39-Y96 PolarHBondContact O-N 3.1Å; I39-A98 HydrophobicContact CD1-CB 3.39Å; I39-F109 HydrophobicContact CD1-CD2 4.04Å; I39-F109 HydrophobicContact CD1-CE2 3.88Å; I39-F109 HydrophobicContact CD1-CZ 4.29Å; I39-F109 HydrophobicContact CG1-CE2 4.36Å; I39-W112 HydrophobicContact CB-CH2 4.24Å; I39-W112 HydrophobicContact CB-CZ3 4.14Å; I39-W112 HydrophobicContact CD1-CH2 3.69Å; I39-W112 HydrophobicContact CD1-CZ2 4.32Å; I39-W112 HydrophobicContact CD1-CZ3 3.85Å; I39-W112 HydrophobicContact CG1-CH2 3.94Å; I39-W112 HydrophobicContact CG1-CZ3 4.23Å; I39-W112 HydrophobicContact CG2-CH2 4.23Å; I39-W112 HydrophobicContact CG2-CZ3 4.29Å
40R96.3Very high92Very high22 Ų2248.7 Ų48.78%0.08329%0.287CS..EExtended strand (participates in β ladder)trans-123.4152.9169.366.3177.5-1671784111.7E48 I50 D91 A93 V94 F95R40-E48 HydrophobicContact CG-CB 3.99Å; R40-E48 IonicContact CZ-OE2 2.9Å; R40-E48 VanDerWaalsContact CZ-OE2 3.29Å; R40-E48 PolarHBondContact N-O 3.15Å; R40-E48 IonicContact NE-OE2 2.85Å; R40-E48 PolarHBondContact NE-OE2 2.84Å; R40-E48 IonicContact NH2-OE2 3.56Å; R40-E48 PolarHBondContact NH2-OE2 3.38Å; R40-E48 PolarHBondContact O-N 3.18Å; R40-I50 HydrophobicContact CB-CD1 3.98Å; R40-I50 HydrophobicContact CB-CG1 4.46Å; R40-I50 HydrophobicContact CG-CD1 4.01Å; R40-I50 HydrophobicContact CG-CG1 4.08Å; R40-D91 IonicContact NH1-OD1 2.84Å; R40-D91 PolarHBondContact NH1-OD1 3.43Å; R40-A93 HydrophobicContact CB-CB 3.88Å; R40-A93 HydrophobicContact CG-CB 4.47Å; R40-V94 CarbonylContact C-O 3.45Å; R40-V94 VanDerWaalsContact CA-O 3.24Å; R40-V94 WeakPolarHBondContact CA-O 3.23Å; R40-F95 HydrophobicContact CB-CD1 3.93Å; R40-F95 HydrophobicContact CB-CE1 3.92Å; R40-F95 HydrophobicContact CB-CG 4.35Å; R40-F95 HydrophobicContact CB-CZ 4.32Å
41Q97.3Very high92.5Very high70 Ų7044.8 Ų44.833%0.32727%0.266SS..EExtended strand (participates in β ladder)trans-125.4100.2171.6-16917722.800109.7K45 L47 A93 V94 Y96Q41-K45 WeakPolarHBondContact CG-O 3.16Å; Q41-K45 PolarHBondContact NE2-O 2.92Å; Q41-L47 HydrophobicContact CB-CD2 4.03Å; Q41-L47 HydrophobicContact CG-CD2 4.45Å; Q41-A93 VanDerWaalsContact O-CA 3.32Å; Q41-A93 WeakPolarHBondContact O-CA 3.37Å; Q41-A93 WeakPolarHBondContact O-CB 3.29Å; Q41-V94 PolarHBondContact N-O 3.03Å; Q41-V94 PolarHBondContact O-N 2.91Å; Q41-Y96 HydrophobicContact CB-CE2 3.97Å
42P96.5Very high93Very high9 Ų944 Ų446%0.05826%0.261CS..  trans-65151.9171.2-19.232.1000111.3G44 K45 A93P42-G44 PolarHBondContact O-N 2.83Å; P42-K45 HydrophobicContact CB-CB 4.1Å; P42-K45 HydrophobicContact CB-CD 3.99Å; P42-K45 HydrophobicContact CB-CG 4.22Å; P42-K45 HydrophobicContact CG-CB 4.34Å; P42-K45 HydrophobicContact CG-CD 4.16Å; P42-K45 PolarHBondContact O-N 2.99Å; P42-A93 HydrophobicContact CG-CB 4.41Å
43P96.1Very high93.6Very high98 Ų9840.3 Ų40.364%0.63624%0.238SC*.THydrogen-bonded Turntrans-54.5129.9176.4-24.833000112K45 T92P43-K45 PolarHBondContact O-N 2.9Å; P43-T92 WeakPolarHBondContact CD-O 3.3Å; P43-T92 HydrophobicContact CG-CG2 4.32Å
44G96.5Very high94.2Very high94 Ų9439.9 Ų39.997%0.96923%0.228SC*.THydrogen-bonded Turntrans70.98.9-179.700000115.1P42P42-G44 PolarHBondContact O-N 2.83Å
45K95.1Very high94.3Very high127 Ų12743.2 Ų43.255%0.55224%0.241SC*.SBendtrans-118.1165.4177.1-61.9-167.5-177.2178.70112.2Q41 P42 P43Q41-K45 WeakPolarHBondContact CG-O 3.16Å; Q41-K45 PolarHBondContact NE2-O 2.92Å; P42-K45 HydrophobicContact CB-CB 4.1Å; P42-K45 HydrophobicContact CB-CD 3.99Å; P42-K45 HydrophobicContact CB-CG 4.22Å; P42-K45 HydrophobicContact CG-CB 4.34Å; P42-K45 HydrophobicContact CG-CD 4.16Å; P42-K45 PolarHBondContact O-N 2.99Å; P43-K45 PolarHBondContact O-N 2.9Å
46G94.5Very high94.1Very high51 Ų5143.4 Ų43.453%0.52626%0.258SS..  trans-73.9-179.2171.300000112.9
47L94.7Very high93.9Very high101 Ų10145.2 Ų45.253%0.52928%0.277SS..  trans-70129.4174.5-67.3167.9000110.6I39 Q41 Y96 W112I39-L47 HydrophobicContact CG2-CB 3.84Å; I39-L47 HydrophobicContact CG2-CD2 3.74Å; I39-L47 HydrophobicContact CG2-CG 4.32Å; Q41-L47 HydrophobicContact CB-CD2 4.03Å; Q41-L47 HydrophobicContact CG-CD2 4.45Å; L47-Y96 HydrophobicContact CD2-CD2 4.18Å; L47-Y96 HydrophobicContact CD2-CE2 4.09Å; L47-W112 HydrophobicContact CD1-CH2 4.12Å
48E94.6Very high93.7Very high51 Ų5149.8 Ų49.824%0.23830%0.301CS..EExtended strand (participates in β ladder)trans-113114.8175.7-64.4-179.7179.300109.2I39 R40 I50I39-E48 CarbonylContact C-O 3.59Å; I39-E48 WeakPolarHBondContact CA-O 3Å; I39-E48 WeakPolarHBondContact CG2-O 3.41Å; R40-E48 HydrophobicContact CG-CB 3.99Å; R40-E48 IonicContact CZ-OE2 2.9Å; R40-E48 VanDerWaalsContact CZ-OE2 3.29Å; R40-E48 PolarHBondContact N-O 3.15Å; R40-E48 IonicContact NE-OE2 2.85Å; R40-E48 PolarHBondContact NE-OE2 2.84Å; R40-E48 IonicContact NH2-OE2 3.56Å; R40-E48 PolarHBondContact NH2-OE2 3.38Å; R40-E48 PolarHBondContact O-N 3.18Å; E48-I50 PolarHBondContact O-N 3.31Å
49W93.7Very high93.5Very high92 Ų9252.1 Ų52.135%0.34832%0.315SS..EExtended strand (participates in β ladder)trans-67.3131.6171.8175.369.4000110.4G51 T52 S62W49-G51 VanDerWaalsContact CE2-CA 3.42Å; W49-G51 VanDerWaalsContact CZ2-CA 3.43Å; W49-G51 VanDerWaalsContact NE1-C 3.3Å; W49-G51 PolarHBondContact NE1-O 2.8Å; W49-T52 HydrophobicContact CZ2-CG2 4.1Å; W49-S62 WeakPolarHBondContact O-CB 2.95Å; W49-S62 PolarHBondContact O-OG 3.41Å
50I95.4Very high93.3Very high3 Ų357.9 Ų57.92%0.01534%0.338CS..EExtended strand (participates in β ladder)trans-97-46.8179.3-59.5-178.7000110.5W38 R40 E48 S62 L65 V69 L82 F95W38-I50 HydrophobicContact CB-CB 4.19Å; W38-I50 HydrophobicContact CB-CD1 4.3Å; W38-I50 WeakPolarHBondContact O-CB 3.43Å; W38-I50 PolarHBondContact O-N 3.13Å; R40-I50 HydrophobicContact CB-CD1 3.98Å; R40-I50 HydrophobicContact CB-CG1 4.46Å; R40-I50 HydrophobicContact CG-CD1 4.01Å; R40-I50 HydrophobicContact CG-CG1 4.08Å; E48-I50 PolarHBondContact O-N 3.31Å; I50-S62 WeakPolarHBondContact O-CB 3.45Å; I50-S62 PolarHBondContact O-N 2.87Å; I50-L65 HydrophobicContact CG1-CD1 4.01Å; I50-L65 HydrophobicContact CG2-CD1 4.27Å; I50-V69 HydrophobicContact CG2-CB 4.42Å; I50-V69 HydrophobicContact CG2-CG1 3.79Å; I50-V69 HydrophobicContact CG2-CG2 3.84Å; I50-L82 HydrophobicContact CD1-CD2 3.86Å; I50-L82 HydrophobicContact CG2-CD1 3.98Å; I50-F95 HydrophobicContact CD1-CD1 3.86Å; I50-F95 HydrophobicContact CD1-CE1 3.71Å
51G94.2Very high93.2Very high0 Ų060.1 Ų60.10%035%0.347CS..EExtended strand (participates in β ladder)trans171.5168.4-175.700000112.7G37 W38 W49 Y60 I71G37-G51 VanDerWaalsContact CA-O 3.31Å; G37-G51 WeakPolarHBondContact CA-O 3.45Å; W38-G51 PolarHBondContact N-O 3.25Å; W49-G51 VanDerWaalsContact CE2-CA 3.42Å; W49-G51 VanDerWaalsContact CZ2-CA 3.43Å; W49-G51 VanDerWaalsContact NE1-C 3.3Å; W49-G51 PolarHBondContact NE1-O 2.8Å; G51-Y60 CarbonylContact C-O 3.44Å; G51-Y60 WeakPolarHBondContact CA-O 3.28Å; G51-I71 VanDerWaalsContact C-CD1 3.49Å
52T93.6Very high92.8Very high13 Ų1357.7 Ų57.78%0.0834%0.337CS..EExtended strand (participates in β ladder)trans-129.6157.7171.958.60000111.4W36 W49 T59 Y60 F109W36-T52 CarbonylContact O-C 3.59Å; W36-T52 WeakPolarHBondContact O-CA 3.43Å; W49-T52 HydrophobicContact CZ2-CG2 4.1Å; T52-T59 CarbonylContact O-C 3.51Å; T52-T59 VanDerWaalsContact O-CA 3.3Å; T52-T59 WeakPolarHBondContact O-CA 3.24Å; T52-Y60 PolarHBondContact N-O 2.88Å; T52-Y60 PolarHBondContact O-N 3.11Å; T52-F109 HydrophobicContact CG2-CE1 4.09Å; T52-F109 HydrophobicContact CG2-CZ 3.85Å
53I93.3Very high92.3Very high3 Ų362.8 Ų62.82%0.01537%0.371CS..EExtended strand (participates in β ladder)trans-132.2135.5172.9-170.9161.7000110.2W36 N58 T59 I71 V73 F80W36-I53 HydrophobicContact CB-CG2 4.04Å; W36-I53 PolarHBondContact N-O 3.39Å; W36-I53 PolarHBondContact O-N 3.4Å; I53-N58 CarbonylContact C-O 3.6Å; I53-N58 WeakPolarHBondContact CA-O 3.44Å; I53-T59 HydrophobicContact CB-CG2 3.92Å; I53-T59 HydrophobicContact CD1-CG2 3.62Å; I53-T59 HydrophobicContact CG1-CG2 3.68Å; I53-I71 HydrophobicContact CB-CG2 3.64Å; I53-I71 HydrophobicContact CD1-CG2 4.2Å; I53-I71 HydrophobicContact CG2-CG2 3.52Å; I53-V73 HydrophobicContact CD1-CB 3.96Å; I53-V73 HydrophobicContact CD1-CG1 3.87Å; I53-V73 HydrophobicContact CG1-CB 4.44Å; I53-V73 HydrophobicContact CG1-CG1 4.3Å; I53-F80 HydrophobicContact CG2-CB 4.44Å
54Y91.2Very high91.6Very high44 Ų4462.1 Ų62.117%0.17337%0.368CS..EExtended strand (participates in β ladder)trans-84.8153.5166.6-169-122.1000110.1T32 Y34 Y35 G56 G57 N58T32-Y54 WeakPolarHBondContact CA-OH 3.24Å; T32-Y54 WeakPolarHBondContact CB-OH 3.14Å; T32-Y54 PolarHBondContact O-OH 3.5Å; Y34-Y54 WeakPolarHBondContact O-CD2 3.42Å; Y35-Y54 HydrophobicContact CD1-CD2 4.19Å; Y35-Y54 HydrophobicContact CD2-CD2 4.34Å; Y35-Y54 AromaticContact CE1-CD2 3.84Å; Y35-Y54 HydrophobicContact CE1-CD2 3.84Å; Y35-Y54 HydrophobicContact CE1-CG 4.1Å; Y35-Y54 AromaticContact CE2-CD2 3.96Å; Y35-Y54 HydrophobicContact CE2-CD2 3.96Å; Y35-Y54 HydrophobicContact CE2-CE2 4.29Å; Y35-Y54 HydrophobicContact CG-CD2 4.44Å; Y35-Y54 AromaticContact CZ-CD2 3.72Å; Y54-G56 PolarHBondContact O-N 2.89Å; Y54-G57 PolarHBondContact O-N 3.12Å; Y54-N58 PolarHBondContact N-O 3.05Å
55Y86.9Confident90.8Very high76 Ų7658 Ų5830%0.29832%0.324SS..THydrogen-bonded Turntrans-57.4-26.8-17981.1-92.8000113.4I29 T32 G57I29-Y55 WeakPolarHBondContact O-CB 3.33Å; T32-Y55 HydrophobicContact CG2-CE1 3.54Å; T32-Y55 WeakPolarHBondContact CG2-OH 3.47Å; Y55-G57 PolarHBondContact O-N 3.18Å
56G86.1Confident90.2Very high53 Ų5354.7 Ų54.755%0.54632%0.317SS..THydrogen-bonded Turntrans-75.2-1.317500000115Y54Y54-G56 PolarHBondContact O-N 2.89Å
57G87.9Confident89.9Confident38 Ų3857.7 Ų57.739%0.39233%0.329SS..SBendtrans94.6-3.6177.500000115.2Y54 Y55 T59Y54-G57 PolarHBondContact O-N 3.12Å; Y55-G57 PolarHBondContact O-N 3.18Å; G57-T59 PolarHBondContact O-N 3.46Å
58N91Very high89.9Confident96 Ų9655.8 Ų55.851%0.51332%0.315SS..  trans-63.9123.8173.9-63.377.6000110I53 Y54I53-N58 CarbonylContact C-O 3.6Å; I53-N58 WeakPolarHBondContact CA-O 3.44Å; Y54-N58 PolarHBondContact N-O 3.05Å
59T93.3Very high89.9Confident48 Ų4853.8 Ų53.829%0.29431%0.307SS..EExtended strand (participates in β ladder)trans-116.1144.6-177.846.50000111.5T52 I53 G57 Y61 I71T52-T59 CarbonylContact O-C 3.51Å; T52-T59 VanDerWaalsContact O-CA 3.3Å; T52-T59 WeakPolarHBondContact O-CA 3.24Å; I53-T59 HydrophobicContact CB-CG2 3.92Å; I53-T59 HydrophobicContact CD1-CG2 3.62Å; I53-T59 HydrophobicContact CG1-CG2 3.68Å; G57-T59 PolarHBondContact O-N 3.46Å; T59-Y61 WeakPolarHBondContact OG1-CE2 3.24Å; T59-Y61 PolarHBondContact OG1-OH 3.1Å; T59-I71 HydrophobicContact CG2-CB 4.35Å
60Y91.6Very high90.1Very high126 Ų12651.9 Ų51.949%0.49431%0.305SS..EExtended strand (participates in β ladder)trans-125.9132.2171.3-60.5-87.1000108Y35 G51 T52Y35-Y60 HydrophobicContact CE1-CE2 4.09Å; G51-Y60 CarbonylContact C-O 3.44Å; G51-Y60 WeakPolarHBondContact CA-O 3.28Å; T52-Y60 PolarHBondContact N-O 2.88Å; T52-Y60 PolarHBondContact O-N 3.11Å
61Y92.8Very high90.1Very high70 Ų7052 Ų5228%0.27531%0.306SS..EExtended strand (participates in β ladder)trans-119.1148.6-176.6-61.8-71.6000111.1T59 V69 I71T59-Y61 WeakPolarHBondContact OG1-CE2 3.24Å; T59-Y61 PolarHBondContact OG1-OH 3.1Å; Y61-V69 HydrophobicContact CD1-CB 4.4Å; Y61-V69 HydrophobicContact CD1-CG1 3.82Å; Y61-V69 HydrophobicContact CE1-CG1 3.73Å; Y61-I71 HydrophobicContact CD1-CD1 4.22Å; Y61-I71 HydrophobicContact CE1-CB 4.16Å; Y61-I71 HydrophobicContact CE1-CD1 3.93Å; Y61-I71 HydrophobicContact CE1-CG1 3.9Å; Y61-I71 PolarHBondContact OH-N 3.15Å
62S90.3Very high90.2Very high19 Ų1954.1 Ų54.113%0.13332%0.321CS..  trans-68.6134.4165-176.20000110.1W49 I50 S64 L65 S66W49-S62 WeakPolarHBondContact O-CB 2.95Å; W49-S62 PolarHBondContact O-OG 3.41Å; I50-S62 WeakPolarHBondContact O-CB 3.45Å; I50-S62 PolarHBondContact O-N 2.87Å; S62-S64 PolarHBondContact O-N 2.84Å; S62-S64 VanDerWaalsContact O-N 3.1Å; S62-S64 PolarHBondContact OG-OG 3.12Å; S62-L65 PolarHBondContact O-N 2.86Å; S62-S66 PolarHBondContact O-N 3.21Å
63P86.6Confident90.3Very high116 Ų11655.2 Ų55.275%0.75333%0.327SS*.THydrogen-bonded Turntrans-56.5-28.8-179.4-26.534.3000114L65 S66P63-L65 VanDerWaalsContact C-N 3.29Å; P63-L65 PolarHBondContact O-N 3.15Å; P63-S66 PolarHBondContact O-OG 3.29Å
64S80.6Confident90.4Very high84 Ų8456.8 Ų56.859%0.58734%0.336SS*.THydrogen-bonded Turntrans-69-23.4-175.757.80000114.2S62S62-S64 PolarHBondContact O-N 2.84Å; S62-S64 VanDerWaalsContact O-N 3.1Å; S62-S64 PolarHBondContact OG-OG 3.12Å
65L78.9Confident90.5Very high6 Ų657.9 Ų57.93%0.03135%0.347CS..THydrogen-bonded Turntrans-129.2-0.8-173-64.1171.6000113.8I50 S62 P63 S67 R68 V69I50-L65 HydrophobicContact CG1-CD1 4.01Å; I50-L65 HydrophobicContact CG2-CD1 4.27Å; S62-L65 PolarHBondContact O-N 2.86Å; P63-L65 VanDerWaalsContact C-N 3.29Å; P63-L65 PolarHBondContact O-N 3.15Å; L65-S67 PolarHBondContact O-N 2.76Å; L65-S67 VanDerWaalsContact O-N 3.11Å; L65-R68 PolarHBondContact O-N 2.78Å; L65-R68 VanDerWaalsContact O-N 3.1Å; L65-V69 HydrophobicContact CB-CG2 3.69Å; L65-V69 WeakPolarHBondContact O-CB 3.32Å; L65-V69 VanDerWaalsContact O-CG2 3.28Å; L65-V69 WeakPolarHBondContact O-CG2 3.21Å; L65-V69 PolarHBondContact O-N 2.82Å; L65-V69 VanDerWaalsContact O-N 3.15Å
66S82.3Confident90.8Very high59 Ų5958.9 Ų58.941%0.41337%0.365SS..THydrogen-bonded Turntrans-55.9-33-170.162.30000114.4S62 P63 R68S62-S66 PolarHBondContact O-N 3.21Å; P63-S66 PolarHBondContact O-OG 3.29Å; S66-R68 VanDerWaalsContact C-N 3.35Å; S66-R68 PolarHBondContact O-N 3.43Å
67S89.6Confident91.2Very high113 Ų11361.8 Ų61.879%0.7936%0.363SS*.THydrogen-bonded Turntrans-74.5-20.9-177.861.70000114.5L65L65-S67 PolarHBondContact O-N 2.76Å; L65-S67 VanDerWaalsContact O-N 3.11Å
68R93.8Very high91.5Very high61 Ų6162.4 Ų62.423%0.2336%0.357CS..THydrogen-bonded Turntrans-112.3-13.3-175.8-61.1-171.5-61.2131.4-0113.5L65 S66 L84 R85 S86 D91L65-R68 PolarHBondContact O-N 2.78Å; L65-R68 VanDerWaalsContact O-N 3.1Å; S66-R68 VanDerWaalsContact C-N 3.35Å; S66-R68 PolarHBondContact O-N 3.43Å; R68-L84 HydrophobicContact CB-CD1 3.82Å; R68-R85 PolarHBondContact NH1-O 3.43Å; R68-R85 PolarHBondContact O-N 2.91Å; R68-S86 PolarHBondContact NH1-O 2.99Å; R68-D91 IonicContact CZ-OD1 2.88Å; R68-D91 IonicContact CZ-OD2 3.38Å; R68-D91 IonicContact NH1-OD1 2.77Å; R68-D91 IonicContact NH1-OD2 3.77Å; R68-D91 PolarHBondContact NH1-OD2 2.88Å; R68-D91 IonicContact NH2-OD1 3.69Å; R68-D91 PolarHBondContact NH2-OD1 2.78Å; R68-D91 IonicContact NH2-OD2 2.8Å; R68-D91 PolarHBondContact NH2-OD2 2.85Å
69V95.8Very high91.8Very high9 Ų959.1 Ų59.16%0.05534%0.339CS..EExtended strand (participates in β ladder)trans-95.8142.8-173.8170.90000111.4I50 Y61 L65 I71 L82 K83 L84I50-V69 HydrophobicContact CG2-CB 4.42Å; I50-V69 HydrophobicContact CG2-CG1 3.79Å; I50-V69 HydrophobicContact CG2-CG2 3.84Å; Y61-V69 HydrophobicContact CD1-CB 4.4Å; Y61-V69 HydrophobicContact CD1-CG1 3.82Å; Y61-V69 HydrophobicContact CE1-CG1 3.73Å; L65-V69 HydrophobicContact CB-CG2 3.69Å; L65-V69 WeakPolarHBondContact O-CB 3.32Å; L65-V69 VanDerWaalsContact O-CG2 3.28Å; L65-V69 WeakPolarHBondContact O-CG2 3.21Å; L65-V69 PolarHBondContact O-N 2.82Å; L65-V69 VanDerWaalsContact O-N 3.15Å; V69-I71 HydrophobicContact CG1-CD1 4.43Å; V69-I71 HydrophobicContact CG1-CG1 4.03Å; V69-L82 HydrophobicContact CG1-CD1 3.59Å; V69-K83 CarbonylContact C-O 3.46Å; V69-K83 WeakPolarHBondContact CA-O 3.48Å; V69-L84 HydrophobicContact CG2-CD1 3.54Å
70T96.5Very high92Very high52 Ų5256.8 Ų56.832%0.31933%0.325SS..EExtended strand (participates in β ladder)trans-135.1126.9164.9-54.40000108.3K83T70-K83 PolarHBondContact N-O 2.89Å; T70-K83 PolarHBondContact O-N 2.93Å
71I96.8Very high92.3Very high6 Ų652.8 Ų52.83%0.03131%0.309CS..EExtended strand (participates in β ladder)trans-109.2137.1171.8-61.4167.6000108G51 I53 T59 Y61 V69 Y81 L82G51-I71 VanDerWaalsContact C-CD1 3.49Å; I53-I71 HydrophobicContact CB-CG2 3.64Å; I53-I71 HydrophobicContact CD1-CG2 4.2Å; I53-I71 HydrophobicContact CG2-CG2 3.52Å; T59-I71 HydrophobicContact CG2-CB 4.35Å; Y61-I71 HydrophobicContact CD1-CD1 4.22Å; Y61-I71 HydrophobicContact CE1-CB 4.16Å; Y61-I71 HydrophobicContact CE1-CD1 3.93Å; Y61-I71 HydrophobicContact CE1-CG1 3.9Å; Y61-I71 PolarHBondContact OH-N 3.15Å; V69-I71 HydrophobicContact CG1-CD1 4.43Å; V69-I71 HydrophobicContact CG1-CG1 4.03Å; I71-Y81 WeakPolarHBondContact CA-O 3.31Å; I71-L82 HydrophobicContact CG1-CD1 3.86Å
72S96.3Very high92.5Very high45 Ų4549.4 Ų49.432%0.31530%0.296SS..EExtended strand (participates in β ladder)trans-141155.4179.558.80000111.4F80 Y81S72-F80 CarbonylContact O-C 3.59Å; S72-F80 VanDerWaalsContact O-CA 3.26Å; S72-F80 WeakPolarHBondContact O-CA 3.38Å; S72-F80 WeakPolarHBondContact O-CB 3.19Å; S72-Y81 PolarHBondContact N-O 2.91Å; S72-Y81 VanDerWaalsContact N-O 3.1Å; S72-Y81 PolarHBondContact O-N 2.83Å
73V95.6Very high92.9Very high35 Ų3553.1 Ų53.121%0.21231%0.309CS..EExtended strand (participates in β ladder)trans-122.9139.1179.764.50000110.1I29 I53 T75 F80I29-V73 HydrophobicContact CD1-CG2 3.74Å; I29-V73 HydrophobicContact CG1-CG2 4.2Å; I29-V73 HydrophobicContact CG2-CG2 4.48Å; I53-V73 HydrophobicContact CD1-CB 3.96Å; I53-V73 HydrophobicContact CD1-CG1 3.87Å; I53-V73 HydrophobicContact CG1-CB 4.44Å; I53-V73 HydrophobicContact CG1-CG1 4.3Å; V73-T75 HydrophobicContact CG2-CG2 4.27Å; V73-F80 HydrophobicContact CB-CB 4.41Å; V73-F80 HydrophobicContact CG2-CB 4.38Å
74D94.9Very high93.3Very high37 Ų3747.7 Ų47.720%0.19827%0.274CS..EExtended strand (participates in β ladder)trans-121.796.4171.1-174.8-14.7000108.1S76 K77 N78 Q79 Y81D74-S76 PolarHBondContact O-N 3.23Å; D74-S76 WeakPolarHBondContact OD1-CB 3.3Å; D74-S76 PolarHBondContact OD1-N 2.98Å; D74-S76 VanDerWaalsContact OD1-N 3.07Å; D74-S76 PolarHBondContact OD1-OG 3.17Å; D74-K77 PolarHBondContact O-N 2.96Å; D74-K77 PolarHBondContact OD1-N 2.94Å; D74-K77 WeakPolarHBondContact OD2-CD 3.44Å; D74-K77 WeakPolarHBondContact OD2-CE 3.49Å; D74-K77 IonicContact OD2-NZ 3.29Å; D74-K77 PolarHBondContact OD2-NZ 2.9Å; D74-N78 PolarHBondContact O-N 2.96Å; D74-Q79 CarbonylContact C-O 3.37Å; D74-Q79 PolarHBondContact N-O 3.18Å; D74-Q79 PolarHBondContact O-N 3.29Å; D74-Q79 VanDerWaalsContact O-N 3.08Å; D74-Y81 HydrophobicContact CB-CE2 3.71Å
75T93.1Very high94.1Very high66 Ų6650.5 Ų50.541%0.40527%0.272SS..G310 helixtrans-67.6-25.2-178.754.90000112.4I29 N30 V73 K77 N78I29-T75 HydrophobicContact CG2-CG2 4.07Å; N30-T75 HydrophobicContact CB-CG2 4.17Å; V73-T75 HydrophobicContact CG2-CG2 4.27Å; T75-K77 PolarHBondContact O-N 2.78Å; T75-N78 PolarHBondContact O-N 2.96Å
76S92.8Very high94.8Very high98 Ų9853.4 Ų53.469%0.68529%0.293SS*.G310 helixtrans-69.5-24.4178.276.50000112.7D74D74-S76 PolarHBondContact O-N 3.23Å; D74-S76 WeakPolarHBondContact OD1-CB 3.3Å; D74-S76 PolarHBondContact OD1-N 2.98Å; D74-S76 VanDerWaalsContact OD1-N 3.07Å; D74-S76 PolarHBondContact OD1-OG 3.17Å
77K94.8Very high95.5Very high113 Ų11350.7 Ų50.749%0.49127%0.274SS..G310 helixtrans-109.91.2-179.1-62.2-174.3-168.5120.20114D74 T75 Q79D74-K77 PolarHBondContact O-N 2.96Å; D74-K77 PolarHBondContact OD1-N 2.94Å; D74-K77 WeakPolarHBondContact OD2-CD 3.44Å; D74-K77 WeakPolarHBondContact OD2-CE 3.49Å; D74-K77 IonicContact OD2-NZ 3.29Å; D74-K77 PolarHBondContact OD2-NZ 2.9Å; T75-K77 PolarHBondContact O-N 2.78Å; K77-Q79 VanDerWaalsContact C-N 3.25Å; K77-Q79 HydrophobicContact CB-CB 4.2Å; K77-Q79 HydrophobicContact CB-CG 4.18Å; K77-Q79 WeakPolarHBondContact O-CG 3.42Å; K77-Q79 PolarHBondContact O-N 3.21Å
78N95.1Very high95.7Very high51 Ų5148.5 Ų48.527%0.27326%0.255SS..THydrogen-bonded Turntrans50.746-169.4-74-44.8000112.7V24 I29 D74 T75V24-N78 PolarHBondContact N-O 2.84Å; I29-N78 HydrophobicContact CB-CB 4.45Å; I29-N78 HydrophobicContact CG2-CB 4.44Å; I29-N78 WeakPolarHBondContact CG2-OD1 3.37Å; I29-N78 PolarHBondContact N-OD1 2.9Å; I29-N78 VanDerWaalsContact N-OD1 3.08Å; D74-N78 PolarHBondContact O-N 2.96Å; T75-N78 PolarHBondContact O-N 2.96Å
79Q96.8Very high95.8Very high27 Ų2748.4 Ų48.413%0.12627%0.268CS..EExtended strand (participates in β ladder)trans-132.4148.2-174.3-76.8164.56.600111.8K21 C22 T23 I29 D74 K77 Y81K21-Q79 HydrophobicContact CD-CG 4.12Å; K21-Q79 HydrophobicContact CG-CB 4.36Å; K21-Q79 HydrophobicContact CG-CG 4.19Å; C22-Q79 VanDerWaalsContact O-CA 3.29Å; C22-Q79 WeakPolarHBondContact O-CA 3.43Å; T23-Q79 HydrophobicContact CG2-CG 4.26Å; I29-Q79 VanDerWaalsContact CD1-C 3.48Å; I29-Q79 WeakPolarHBondContact CD1-O 3.47Å; D74-Q79 CarbonylContact C-O 3.37Å; D74-Q79 PolarHBondContact N-O 3.18Å; D74-Q79 PolarHBondContact O-N 3.29Å; D74-Q79 VanDerWaalsContact O-N 3.08Å; K77-Q79 VanDerWaalsContact C-N 3.25Å; K77-Q79 HydrophobicContact CB-CB 4.2Å; K77-Q79 HydrophobicContact CB-CG 4.18Å; K77-Q79 WeakPolarHBondContact O-CG 3.42Å; K77-Q79 PolarHBondContact O-N 3.21Å; Q79-Y81 HydrophobicContact CB-CE2 3.99Å; Q79-Y81 PolarHBondContact OE1-OH 2.82Å
80F96.7Very high95.7Very high0 Ų051.6 Ų51.60%030%0.295CS..EExtended strand (participates in β ladder)trans-133.7156.1166.665.9-78.2000110.2C22 V24 I29 W36 W38 I53 S72 V73 C97C22-F80 HydrophobicContact CB-CD1 3.91Å; C22-F80 HydrophobicContact CB-CD2 4.37Å; C22-F80 HydrophobicContact CB-CE1 3.51Å; C22-F80 HydrophobicContact CB-CE2 3.98Å; C22-F80 HydrophobicContact CB-CG 4.35Å; C22-F80 HydrophobicContact CB-CZ 3.59Å; C22-F80 PolarHBondContact N-O 2.77Å; C22-F80 PolarHBondContact O-N 2.74Å; C22-F80 WeakPolarHBondContact SG-CE1 3.37Å; C22-F80 VanDerWaalsContact SG-CZ 3.54Å; V24-F80 HydrophobicContact CG2-CD1 4.16Å; V24-F80 HydrophobicContact CG2-CE1 3.99Å; I29-F80 HydrophobicContact CD1-CB 4.08Å; I29-F80 HydrophobicContact CD1-CD1 3.74Å; I29-F80 HydrophobicContact CD1-CG 4.38Å; W36-F80 HydrophobicContact CB-CD1 3.98Å; W36-F80 HydrophobicContact CB-CD2 3.98Å; W36-F80 HydrophobicContact CB-CE1 3.87Å; W36-F80 HydrophobicContact CB-CE2 3.9Å; W36-F80 HydrophobicContact CB-CG 4Å; W36-F80 HydrophobicContact CB-CZ 3.79Å; W36-F80 HydrophobicContact CD2-CE1 4.24Å; W36-F80 HydrophobicContact CE3-CE1 4.04Å; W36-F80 HydrophobicContact CE3-CZ 4.43Å; W36-F80 HydrophobicContact CG-CD1 4.23Å; W36-F80 HydrophobicContact CG-CE1 4.19Å; W38-F80 AromaticContact CD1-CD2 3.97Å; W38-F80 AromaticContact CD1-CE2 3.88Å; W38-F80 HydrophobicContact CD2-CE2 4.48Å; W38-F80 AromaticContact CE2-CE2 3.85Å; W38-F80 HydrophobicContact CZ2-CD2 4.46Å; W38-F80 HydrophobicContact CZ2-CE2 4.33Å; W38-F80 AromaticContact NE1-CD2 3.32Å; W38-F80 VanDerWaalsContact NE1-CD2 3.32Å; W38-F80 AromaticContact NE1-CE2 3.44Å; I53-F80 HydrophobicContact CG2-CB 4.44Å; S72-F80 CarbonylContact O-C 3.59Å; S72-F80 VanDerWaalsContact O-CA 3.26Å; S72-F80 WeakPolarHBondContact O-CA 3.38Å; S72-F80 WeakPolarHBondContact O-CB 3.19Å; V73-F80 HydrophobicContact CB-CB 4.41Å; V73-F80 HydrophobicContact CG2-CB 4.38Å; F80-C97 HydrophobicContact CE1-CB 4.47Å; F80-C97 HydrophobicContact CE2-CB 3.94Å; F80-C97 HydrophobicContact CZ-CB 3.56Å
81Y97.8Very high95.6Very high41 Ų4149.3 Ų49.316%0.16128%0.281CS..EExtended strand (participates in β ladder)trans-132.6149.2-164.2-52-94.8000110.8L20 K21 I71 S72 D74 Q79L20-Y81 CarbonylContact O-C 3.44Å; L20-Y81 VanDerWaalsContact O-CA 3.23Å; L20-Y81 WeakPolarHBondContact O-CA 3.4Å; L20-Y81 WeakPolarHBondContact O-CB 3.46Å; K21-Y81 HydrophobicContact CB-CD1 3.7Å; K21-Y81 HydrophobicContact CB-CE1 3.82Å; K21-Y81 HydrophobicContact CD-CD1 4.34Å; K21-Y81 HydrophobicContact CD-CE1 3.58Å; K21-Y81 HydrophobicContact CG-CD1 3.76Å; K21-Y81 HydrophobicContact CG-CE1 3.43Å; K21-Y81 VanDerWaalsContact CG-CE1 3.43Å; I71-Y81 WeakPolarHBondContact CA-O 3.31Å; S72-Y81 PolarHBondContact N-O 2.91Å; S72-Y81 VanDerWaalsContact N-O 3.1Å; S72-Y81 PolarHBondContact O-N 2.83Å; D74-Y81 HydrophobicContact CB-CE2 3.71Å; Q79-Y81 HydrophobicContact CB-CE2 3.99Å; Q79-Y81 PolarHBondContact OE1-OH 2.82Å
82L97.9Very high95.6Very high0 Ų050.3 Ų50.30%029%0.287CS..EExtended strand (participates in β ladder)trans-117.4125.8168.7176.570000108.1S19 L20 W38 I50 V69 I71 F95S19-L82 CarbonylContact C-O 3.57Å; S19-L82 WeakPolarHBondContact CA-O 3.4Å; L20-L82 HydrophobicContact CB-CB 4.32Å; L20-L82 HydrophobicContact CD1-CD2 4.29Å; L20-L82 PolarHBondContact N-O 2.98Å; L20-L82 PolarHBondContact O-N 2.86Å; W38-L82 HydrophobicContact CB-CD1 4.47Å; W38-L82 HydrophobicContact CB-CD2 4.3Å; W38-L82 HydrophobicContact CD2-CB 3.79Å; W38-L82 HydrophobicContact CD2-CD2 4.14Å; W38-L82 HydrophobicContact CE3-CB 4.48Å; W38-L82 HydrophobicContact CE3-CD2 4.3Å; W38-L82 HydrophobicContact CG-CB 3.89Å; W38-L82 HydrophobicContact CG-CD1 4.35Å; W38-L82 HydrophobicContact CG-CD2 4.15Å; W38-L82 HydrophobicContact CG-CG 4.37Å; W38-L82 HydrophobicContact CZ2-CB 4.16Å; I50-L82 HydrophobicContact CD1-CD2 3.86Å; I50-L82 HydrophobicContact CG2-CD1 3.98Å; V69-L82 HydrophobicContact CG1-CD1 3.59Å; I71-L82 HydrophobicContact CG1-CD1 3.86Å; L82-F95 HydrophobicContact CD2-CD1 3.72Å; L82-F95 HydrophobicContact CD2-CE1 3.86Å
83K97.6Very high95.7Very high96 Ų9648.1 Ų48.142%0.41727%0.272SS..EExtended strand (participates in β ladder)trans-112.6124.8165.5-68-176.7179.7179.40108.9T17 L18 V69 T70T17-K83 HydrophobicContact CG2-CB 4.39Å; L18-K83 CarbonylContact O-C 3.6Å; L18-K83 VanDerWaalsContact O-CA 3.3Å; L18-K83 WeakPolarHBondContact O-CA 3.38Å; V69-K83 CarbonylContact C-O 3.46Å; V69-K83 WeakPolarHBondContact CA-O 3.48Å; T70-K83 PolarHBondContact N-O 2.89Å; T70-K83 PolarHBondContact O-N 2.93Å
84L96.4Very high95.8Very high2 Ų248.2 Ų48.21%0.0127%0.273CS..EExtended strand (participates in β ladder)trans-119.3114.4173.817866.8000108.3T17 L18 R68 V69 V87 D91T17-L84 CarbonylContact C-O 3.59Å; T17-L84 WeakPolarHBondContact CA-O 3.38Å; L18-L84 HydrophobicContact CB-CB 4.32Å; L18-L84 PolarHBondContact N-O 3.12Å; L18-L84 PolarHBondContact O-N 3.17Å; R68-L84 HydrophobicContact CB-CD1 3.82Å; V69-L84 HydrophobicContact CG2-CD1 3.54Å; L84-V87 HydrophobicContact CB-CG1 4.4Å; L84-V87 HydrophobicContact CD2-CG1 4.01Å; L84-V87 HydrophobicContact CG-CG1 3.98Å; L84-V87 WeakPolarHBondContact O-CG1 3.41Å; L84-D91 HydrophobicContact CD2-CB 3.97Å
85R96.5Very high95.9Very high143 Ų14346.5 Ų46.554%0.5426%0.263SS..  trans-86.9155.3-177.6-60.3-178-172.5-1722.9111.2T17 R68 V87T17-R85 HydrophobicContact CG2-CG 4.23Å; R68-R85 PolarHBondContact NH1-O 3.43Å; R68-R85 PolarHBondContact O-N 2.91Å; R85-V87 VanDerWaalsContact C-N 3.34Å; R85-V87 PolarHBondContact O-N 3.23Å
86S94.6Very high96.2Very high68 Ų6845.3 Ų45.348%0.47625%0.252SS..SBendtrans51.355.8173.2-55.10000110.9E16 R68E16-S86 PolarHBondContact O-N 2.94Å; R68-S86 PolarHBondContact NH1-O 2.99Å
87V95.4Very high96.3Very high2 Ų240.7 Ų40.71%0.01222%0.219CC..  trans-66.3148.4-177.9-61.80000111.2V12 K13 P14 S15 E16 L18 L84 R85 D91 V120V12-V87 HydrophobicContact CB-CG2 4.47Å; V12-V87 HydrophobicContact CG1-CG2 3.79Å; K13-V87 VanDerWaalsContact O-CG2 3.3Å; K13-V87 WeakPolarHBondContact O-CG2 3.3Å; P14-V87 WeakPolarHBondContact CA-O 3.36Å; S15-V87 PolarHBondContact N-O 3.44Å; E16-V87 PolarHBondContact O-N 3.04Å; E16-V87 VanDerWaalsContact O-N 3.12Å; L18-V87 HydrophobicContact CB-CG1 3.78Å; L84-V87 HydrophobicContact CB-CG1 4.4Å; L84-V87 HydrophobicContact CD2-CG1 4.01Å; L84-V87 HydrophobicContact CG-CG1 3.98Å; L84-V87 WeakPolarHBondContact O-CG1 3.41Å; R85-V87 VanDerWaalsContact C-N 3.34Å; R85-V87 PolarHBondContact O-N 3.23Å; V87-D91 WeakPolarHBondContact CA-OD2 3.36Å; V87-D91 HydrophobicContact CB-CB 4.46Å; V87-V120 HydrophobicContact CB-CG1 4.48Å; V87-V120 HydrophobicContact CB-CG2 4.08Å; V87-V120 HydrophobicContact CG2-CG1 3.94Å; V87-V120 HydrophobicContact CG2-CG2 4.04Å
88T95.3Very high96.3Very high66 Ų6635.3 Ų35.341%0.40520%0.196SC..  trans-125.4166.9178.464.30000109.8A90 D91 V120T88-A90 PolarHBondContact O-N 2.04Å; T88-D91 PolarHBondContact N-OD2 3.07Å; T88-D91 WeakPolarHBondContact O-CB 3.06Å; T88-D91 PolarHBondContact O-N 3.04Å; T88-D91 PolarHBondContact OG1-OD2 3.29Å; T88-D91 VanDerWaalsContact OG1-OD2 3.12Å; T88-V120 WeakPolarHBondContact O-CB 3.4Å; T88-V120 WeakPolarHBondContact O-CG1 2.98Å; T88-V120 WeakPolarHBondContact O-CG2 3.33Å
89A95.2Very high96.1Very high60 Ų6032.9 Ų32.950%0.49618%0.183SC..G310 helixtrans-52.6-31.217500000112.7D91 T92A89-D91 PolarHBondContact O-N 3.36Å; A89-T92 WeakPolarHBondContact O-CB 3.44Å; A89-T92 PolarHBondContact O-N 2.75Å; A89-T92 PolarHBondContact O-OG1 2.81Å; A89-T92 VanDerWaalsContact O-OG1 3.04Å
90A93.1Very high95.6Very high76 Ų7633.7 Ų33.763%0.62819%0.187SC*.G310 helixtrans-69.2-14177.200000114.4T88 T92T88-A90 PolarHBondContact O-N 2.04Å; A90-T92 VanDerWaalsContact C-N 3.31Å
91D95Very high94.7Very high3 Ų338.4 Ų38.42%0.01621%0.205CC..G310 helixtrans-87.6-0.5175.6-61.3-56.2000112.7R40 R68 L84 V87 T88 A89 A93 V120R40-D91 IonicContact NH1-OD1 2.84Å; R40-D91 PolarHBondContact NH1-OD1 3.43Å; R68-D91 IonicContact CZ-OD1 2.88Å; R68-D91 IonicContact CZ-OD2 3.38Å; R68-D91 IonicContact NH1-OD1 2.77Å; R68-D91 IonicContact NH1-OD2 3.77Å; R68-D91 PolarHBondContact NH1-OD2 2.88Å; R68-D91 IonicContact NH2-OD1 3.69Å; R68-D91 PolarHBondContact NH2-OD1 2.78Å; R68-D91 IonicContact NH2-OD2 2.8Å; R68-D91 PolarHBondContact NH2-OD2 2.85Å; L84-D91 HydrophobicContact CD2-CB 3.97Å; V87-D91 WeakPolarHBondContact CA-OD2 3.36Å; V87-D91 HydrophobicContact CB-CB 4.46Å; T88-D91 PolarHBondContact N-OD2 3.07Å; T88-D91 WeakPolarHBondContact O-CB 3.06Å; T88-D91 PolarHBondContact O-N 3.04Å; T88-D91 PolarHBondContact OG1-OD2 3.29Å; T88-D91 VanDerWaalsContact OG1-OD2 3.12Å; A89-D91 PolarHBondContact O-N 3.36Å; D91-A93 PolarHBondContact O-N 2.85Å; D91-V120 HydrophobicContact CB-CG2 4.4Å
92T97.4Very high93.2Very high27 Ų2742.6 Ų42.617%0.16623%0.225CC..  trans-60.1119.3169.2-64.40000109.9P43 A89 A90 V118 V120P43-T92 WeakPolarHBondContact CD-O 3.3Å; P43-T92 HydrophobicContact CG-CG2 4.32Å; A89-T92 WeakPolarHBondContact O-CB 3.44Å; A89-T92 PolarHBondContact O-N 2.75Å; A89-T92 PolarHBondContact O-OG1 2.81Å; A89-T92 VanDerWaalsContact O-OG1 3.04Å; A90-T92 VanDerWaalsContact C-N 3.31Å; T92-V118 WeakPolarHBondContact CA-O 3.31Å; T92-V120 PolarHBondContact OG1-N 2.95Å
93A97.3Very high91.6Very high0 Ų047.5 Ų47.50%026%0.26CS..EExtended strand (participates in β ladder)trans-165.6164.7-176.100000111.2R40 Q41 P42 D91 F95 V118R40-A93 HydrophobicContact CB-CB 3.88Å; R40-A93 HydrophobicContact CG-CB 4.47Å; Q41-A93 VanDerWaalsContact O-CA 3.32Å; Q41-A93 WeakPolarHBondContact O-CA 3.37Å; Q41-A93 WeakPolarHBondContact O-CB 3.29Å; P42-A93 HydrophobicContact CG-CB 4.41Å; D91-A93 PolarHBondContact O-N 2.85Å; A93-F95 HydrophobicContact CB-CD2 4.27Å; A93-F95 HydrophobicContact CB-CE2 3.85Å; A93-F95 HydrophobicContact CB-CZ 4.35Å; A93-F95 WeakPolarHBondContact O-CD2 3.5Å; A93-V118 PolarHBondContact N-O 3.29Å; A93-V118 VanDerWaalsContact N-O 3.13Å; A93-V118 PolarHBondContact O-N 3.21Å
94V98.1Very high89.8Confident37 Ų3744.3 Ų44.322%0.22425%0.25CC..EExtended strand (participates in β ladder)trans-83.3125.3159.4-172.20000108.2R40 Q41 Y96 L117R40-V94 CarbonylContact C-O 3.45Å; R40-V94 VanDerWaalsContact CA-O 3.24Å; R40-V94 WeakPolarHBondContact CA-O 3.23Å; Q41-V94 PolarHBondContact N-O 3.03Å; Q41-V94 PolarHBondContact O-N 2.91Å; V94-Y96 HydrophobicContact CB-CE2 3.81Å; V94-Y96 HydrophobicContact CG1-CD2 4.34Å; V94-Y96 HydrophobicContact CG1-CE1 3.86Å; V94-Y96 HydrophobicContact CG1-CE2 3.63Å; V94-Y96 WeakPolarHBondContact CG1-OH 3.34Å; V94-L117 HydrophobicContact CG2-CB 4.5Å; V94-L117 HydrophobicContact CG2-CD1 4.03Å
95F97.9Very high87.6Confident0 Ų048 Ų480%029%0.288CS..EExtended strand (participates in β ladder)trans-102.6125.9178.7-72.4-100.4000110L18 L20 W38 I39 R40 I50 L82 A93 G115 S116 V118L18-F95 HydrophobicContact CD2-CE1 4.22Å; L18-F95 HydrophobicContact CD2-CE2 3.98Å; L18-F95 HydrophobicContact CD2-CZ 3.77Å; L20-F95 HydrophobicContact CD1-CB 3.34Å; L20-F95 HydrophobicContact CD1-CD1 3.72Å; L20-F95 HydrophobicContact CD1-CD2 4.02Å; L20-F95 HydrophobicContact CD1-CG 3.42Å; L20-F95 VanDerWaalsContact CD1-CG 3.42Å; W38-F95 HydrophobicContact CE3-CB 4.44Å; W38-F95 HydrophobicContact CZ3-CB 4.33Å; I39-F95 CarbonylContact O-C 3.58Å; I39-F95 WeakPolarHBondContact O-CA 3.39Å; R40-F95 HydrophobicContact CB-CD1 3.93Å; R40-F95 HydrophobicContact CB-CE1 3.92Å; R40-F95 HydrophobicContact CB-CG 4.35Å; R40-F95 HydrophobicContact CB-CZ 4.32Å; I50-F95 HydrophobicContact CD1-CD1 3.86Å; I50-F95 HydrophobicContact CD1-CE1 3.71Å; L82-F95 HydrophobicContact CD2-CD1 3.72Å; L82-F95 HydrophobicContact CD2-CE1 3.86Å; A93-F95 HydrophobicContact CB-CD2 4.27Å; A93-F95 HydrophobicContact CB-CE2 3.85Å; A93-F95 HydrophobicContact CB-CZ 4.35Å; A93-F95 WeakPolarHBondContact O-CD2 3.5Å; F95-G115 CarbonylContact O-C 3.58Å; F95-G115 VanDerWaalsContact O-CA 3.24Å; F95-G115 WeakPolarHBondContact O-CA 3.37Å; F95-S116 PolarHBondContact N-O 2.94Å; F95-S116 PolarHBondContact O-N 2.73Å; F95-V118 HydrophobicContact CD2-CB 3.93Å; F95-V118 HydrophobicContact CD2-CG2 3.68Å; F95-V118 HydrophobicContact CE2-CB 3.85Å; F95-V118 HydrophobicContact CE2-CG2 4.04Å
96Y97.8Very high85.5Confident42 Ų4248 Ų4817%0.16529%0.292CS..EExtended strand (participates in β ladder)trans-112.3137.7179-56.7-87.5000109.8E6 W38 I39 Q41 L47 V94 W112 G115E6-Y96 VanDerWaalsContact OE1-CA 3.32Å; E6-Y96 WeakPolarHBondContact OE1-CA 3.38Å; W38-Y96 WeakPolarHBondContact CA-O 3.41Å; I39-Y96 PolarHBondContact N-O 2.86Å; I39-Y96 PolarHBondContact O-N 3.1Å; Q41-Y96 HydrophobicContact CB-CE2 3.97Å; L47-Y96 HydrophobicContact CD2-CD2 4.18Å; L47-Y96 HydrophobicContact CD2-CE2 4.09Å; V94-Y96 HydrophobicContact CB-CE2 3.81Å; V94-Y96 HydrophobicContact CG1-CD2 4.34Å; V94-Y96 HydrophobicContact CG1-CE1 3.86Å; V94-Y96 HydrophobicContact CG1-CE2 3.63Å; V94-Y96 WeakPolarHBondContact CG1-OH 3.34Å; Y96-W112 HydrophobicContact CD1-CE3 4.41Å; Y96-W112 HydrophobicContact CG-CE3 4.19Å; Y96-W112 HydrophobicContact CG-CZ3 4.13Å; Y96-G115 VanDerWaalsContact CD1-CA 3.42Å
97C96Very high83.7Confident0 Ų049.7 Ų49.70%030%0.302CS..EExtended strand (participates in β ladder)trans-96.3142.5162.867.60000110.3E6 C22 G37 W38 F80 G113E6-C97 HydrophobicContact CG-CB 4.08Å; E6-C97 VanDerWaalsContact CG-SG 3.56Å; E6-C97 PolarHBondContact OE1-N 3.1Å; E6-C97 PolarHBondContact OE1-SG 3.03Å; C22-C97 HydrophobicContact CB-CB 3.31Å; C22-C97 WeakPolarHBondContact CB-SG 3.3Å; C22-C97 WeakPolarHBondContact SG-CB 3.41Å; C22-C97 CovalentContact SG-SG 2.04Å; C22-C97 PolarHBondContact SG-SG 2.79Å; G37-C97 WeakPolarHBondContact O-CA 3.33Å; W38-C97 HydrophobicContact CD2-CB 4.38Å; W38-C97 HydrophobicContact CE3-CB 4.14Å; W38-C97 HydrophobicContact CH2-CB 4.03Å; W38-C97 HydrophobicContact CZ2-CB 4.27Å; W38-C97 HydrophobicContact CZ3-CB 3.96Å; F80-C97 HydrophobicContact CE1-CB 4.47Å; F80-C97 HydrophobicContact CE2-CB 3.94Å; F80-C97 HydrophobicContact CZ-CB 3.56Å; C97-G113 PolarHBondContact O-N 3.49Å
98A94.8Very high82.1Confident0 Ų056 Ų560%033%0.329CS..EExtended strand (participates in β ladder)trans-140154-174.500000111.8W36 G37 I39 F109 Y111 W112W36-A98 CarbonylContact C-O 3.51Å; W36-A98 WeakPolarHBondContact CA-O 3.39Å; G37-A98 PolarHBondContact N-O 2.85Å; G37-A98 PolarHBondContact O-N 2.82Å; I39-A98 HydrophobicContact CD1-CB 3.39Å; A98-F109 HydrophobicContact CB-CB 3.78Å; A98-F109 HydrophobicContact CB-CD1 3.52Å; A98-F109 HydrophobicContact CB-CD2 4.14Å; A98-F109 HydrophobicContact CB-CE1 4.12Å; A98-F109 HydrophobicContact CB-CG 3.54Å; A98-Y111 CarbonylContact C-O 3.55Å; A98-Y111 WeakPolarHBondContact CA-O 3.4Å; A98-Y111 WeakPolarHBondContact CB-O 3.43Å; A98-W112 HydrophobicContact CB-CD2 4.18Å; A98-W112 HydrophobicContact CB-CE3 4.38Å
99G91.1Very high81.2Confident0 Ų054.6 Ų54.60%032%0.317CS..EExtended strand (participates in β ladder)trans-126.1133.7178.800000110.8Y35 F109 D110 Y111Y35-G99 WeakPolarHBondContact O-CA 3.08Å; G99-F109 CarbonylContact O-C 3.52Å; G99-D110 PolarHBondContact O-N 3.46Å; G99-Y111 PolarHBondContact N-O 3.37Å; G99-Y111 PolarHBondContact O-N 2.77Å; G99-Y111 VanDerWaalsContact O-N 3.12Å
100Q84.8Confident80.5Confident45 Ų4555.4 Ų55.421%0.2131%0.314CS..EExtended strand (participates in β ladder)trans-121.1132.6177.2175.7178.915.800109.9Y34 Y35 F106 F108 F109Y34-Q100 VanDerWaalsContact CA-O 3.3Å; Y34-Q100 WeakPolarHBondContact CA-O 3.36Å; Y35-Q100 PolarHBondContact N-O 2.84Å; Y35-Q100 PolarHBondContact O-N 3.29Å; Q100-F106 PolarHBondContact NE2-O 3.25Å; Q100-F106 VanDerWaalsContact NE2-O 3.15Å; Q100-F108 WeakPolarHBondContact CG-O 3.39Å; Q100-F109 HydrophobicContact CB-CD1 3.74Å; Q100-F109 HydrophobicContact CB-CE1 4.09Å
101R78.4Confident80.3Confident99 Ų9954 Ų5437%0.37429%0.292SS..EExtended strand (participates in β ladder)trans-80.6130.1170.6-75.2177.7170.7177.1-2.4111.4S33 Y34 S103 S104 D110 Y111S33-R101 CarbonylContact O-C 3.59Å; S33-R101 WeakPolarHBondContact O-CA 3.29Å; Y34-R101 HydrophobicContact CD1-CG 3.62Å; Y34-R101 HydrophobicContact CE1-CB 4.49Å; Y34-R101 HydrophobicContact CE1-CG 3.19Å; Y34-R101 PolarHBondContact OH-NE 3.02Å; Y34-R101 VanDerWaalsContact OH-NE 3.07Å; Y34-R101 PolarHBondContact OH-NH2 2.87Å; R101-S103 PolarHBondContact O-N 3.08Å; R101-S104 PolarHBondContact O-N 3.18Å; R101-S104 PolarHBondContact O-OG 3.37Å; R101-D110 PolarHBondContact N-OD2 3.46Å; R101-Y111 HydrophobicContact CG-CE2 4.28Å; R101-Y111 PolarHBondContact NE-OH 3.41Å; R101-Y111 PolarHBondContact NH1-OH 3.42Å; R101-Y111 PolarHBondContact NH2-OH 2.93Å
102H66.8Low80.3Confident128 Ų12858.6 Ų58.659%0.59331%0.31SS*.G310 helixtrans-60.2-26.2179.2-172.2-111.4000113.2S33 Y35S33-H102 PolarHBondContact O-N 2.91Å; Y35-H102 AromaticContact CE2-CD2 3.69Å
103S63.9Low80.2Confident104 Ų10457.7 Ų57.773%0.72731%0.305SS*.G310 helixtrans-83.9-5.3-178.959.60000114.7R101 G105R101-S103 PolarHBondContact O-N 3.08Å; S103-G105 PolarHBondContact O-N 3.06Å
104S59.2Low80.1Confident29 Ų2966 Ų6620%0.20334%0.344CS..G310 helixtrans-71.6-12.7-168.761.30000113.9R101 F106R101-S104 PolarHBondContact O-N 3.18Å; R101-S104 PolarHBondContact O-OG 3.37Å; S104-F106 WeakPolarHBondContact O-CD2 3.5Å; S104-F106 PolarHBondContact O-N 3.36Å; S104-F106 PolarHBondContact OG-O 3.08Å
105G51.7Low80.1Confident79 Ų7965.3 Ų65.381%0.81434%0.344SS*.SBendtrans60.52-179.500000114.2S103S103-G105 PolarHBondContact O-N 3.06Å
106F50.9Low80Confident142 Ų14266.3 Ų66.362%0.62335%0.352SS*.SBendtrans-129.6145.6-175.6-65.1-68.5000109.4Q100 S104 F108Q100-F106 PolarHBondContact NE2-O 3.25Å; Q100-F106 VanDerWaalsContact NE2-O 3.15Å; S104-F106 WeakPolarHBondContact O-CD2 3.5Å; S104-F106 PolarHBondContact O-N 3.36Å; S104-F106 PolarHBondContact OG-O 3.08Å; F106-F108 HydrophobicContact CB-CD2 3.67Å; F106-F108 HydrophobicContact CB-CE2 4.09Å; F106-F108 HydrophobicContact CG-CD2 4.46Å; F106-F108 PolarHBondContact O-N 3.06Å
107P57.4Low80Confident105 Ų10569.1 Ų69.168%0.68237%0.369SS*.SBendtrans-8127.8-173.635.5-37.3000113.2
108F63Low80.1Confident133 Ų13369.1 Ų69.158%0.58337%0.369SS*.  trans-104141.6-172.3-57.1-63.8000112Q100 F106Q100-F108 WeakPolarHBondContact CG-O 3.39Å; F106-F108 HydrophobicContact CB-CD2 3.67Å; F106-F108 HydrophobicContact CB-CE2 4.09Å; F106-F108 HydrophobicContact CG-CD2 4.46Å; F106-F108 PolarHBondContact O-N 3.06Å
109F74.6Confident80.2Confident37 Ų3771.7 Ų71.716%0.16239%0.385CS..  trans-78.8118.5167.7-67.3-77.7000109.4I39 T52 A98 G99 Q100 Y111 W112I39-F109 HydrophobicContact CD1-CD2 4.04Å; I39-F109 HydrophobicContact CD1-CE2 3.88Å; I39-F109 HydrophobicContact CD1-CZ 4.29Å; I39-F109 HydrophobicContact CG1-CE2 4.36Å; T52-F109 HydrophobicContact CG2-CE1 4.09Å; T52-F109 HydrophobicContact CG2-CZ 3.85Å; A98-F109 HydrophobicContact CB-CB 3.78Å; A98-F109 HydrophobicContact CB-CD1 3.52Å; A98-F109 HydrophobicContact CB-CD2 4.14Å; A98-F109 HydrophobicContact CB-CE1 4.12Å; A98-F109 HydrophobicContact CB-CG 3.54Å; G99-F109 CarbonylContact O-C 3.52Å; Q100-F109 HydrophobicContact CB-CD1 3.74Å; Q100-F109 HydrophobicContact CB-CE1 4.09Å; F109-Y111 VanDerWaalsContact C-N 3.34Å; F109-W112 HydrophobicContact CB-CZ2 4.07Å; F109-W112 HydrophobicContact CD2-CZ2 4.13Å; F109-W112 HydrophobicContact CG-CZ2 4.47Å; F109-W112 PolarHBondContact O-NE1 2.57Å
110D81.6Confident80.5Confident78 Ų7872 Ų7242%0.41739%0.387SS..SBendtrans-78.9-21.6-179-54.9-57.5000112.2G99 R101G99-D110 PolarHBondContact O-N 3.46Å; R101-D110 PolarHBondContact N-OD2 3.46Å
111Y89.6Confident80.8Confident45 Ų4571.9 Ų71.918%0.17639%0.39CS..EExtended strand (participates in β ladder)trans-127.5136.1-175.4-55.3-78.2000110.6L2 Y34 A98 G99 R101 F109L2-Y111 HydrophobicContact CB-CD1 3.96Å; L2-Y111 HydrophobicContact CB-CE1 3.81Å; L2-Y111 HydrophobicContact CD1-CD2 4.47Å; L2-Y111 HydrophobicContact CD1-CE2 4.41Å; L2-Y111 HydrophobicContact CD2-CD1 3.76Å; L2-Y111 HydrophobicContact CD2-CD2 4.18Å; L2-Y111 HydrophobicContact CD2-CE1 4.39Å; L2-Y111 HydrophobicContact CD2-CG 3.65Å; L2-Y111 HydrophobicContact CG-CD1 4.34Å; Y34-Y111 HydrophobicContact CE1-CD2 4.3Å; Y34-Y111 AromaticContact CE1-CE2 3.79Å; Y34-Y111 HydrophobicContact CE1-CE2 3.79Å; A98-Y111 CarbonylContact C-O 3.55Å; A98-Y111 WeakPolarHBondContact CA-O 3.4Å; A98-Y111 WeakPolarHBondContact CB-O 3.43Å; G99-Y111 PolarHBondContact N-O 3.37Å; G99-Y111 PolarHBondContact O-N 2.77Å; G99-Y111 VanDerWaalsContact O-N 3.12Å; R101-Y111 HydrophobicContact CG-CE2 4.28Å; R101-Y111 PolarHBondContact NE-OH 3.41Å; R101-Y111 PolarHBondContact NH1-OH 3.42Å; R101-Y111 PolarHBondContact NH2-OH 2.93Å; F109-Y111 VanDerWaalsContact C-N 3.34Å
112W94.4Very high80.9Confident101 Ų10175.1 Ų75.138%0.38343%0.429SS..EExtended strand (participates in β ladder)trans-135.2141.6180-72.175.9000110.1I39 L47 Y96 A98 F109I39-W112 HydrophobicContact CB-CH2 4.24Å; I39-W112 HydrophobicContact CB-CZ3 4.14Å; I39-W112 HydrophobicContact CD1-CH2 3.69Å; I39-W112 HydrophobicContact CD1-CZ2 4.32Å; I39-W112 HydrophobicContact CD1-CZ3 3.85Å; I39-W112 HydrophobicContact CG1-CH2 3.94Å; I39-W112 HydrophobicContact CG1-CZ3 4.23Å; I39-W112 HydrophobicContact CG2-CH2 4.23Å; I39-W112 HydrophobicContact CG2-CZ3 4.29Å; L47-W112 HydrophobicContact CD1-CH2 4.12Å; Y96-W112 HydrophobicContact CD1-CE3 4.41Å; Y96-W112 HydrophobicContact CG-CE3 4.19Å; Y96-W112 HydrophobicContact CG-CZ3 4.13Å; A98-W112 HydrophobicContact CB-CD2 4.18Å; A98-W112 HydrophobicContact CB-CE3 4.38Å; F109-W112 HydrophobicContact CB-CZ2 4.07Å; F109-W112 HydrophobicContact CD2-CZ2 4.13Å; F109-W112 HydrophobicContact CG-CZ2 4.47Å; F109-W112 PolarHBondContact O-NE1 2.57Å
113G95.8Very high81.6Confident7 Ų772.5 Ų72.57%0.07242%0.42CS..  trans-78173163.400000111.6L4 E6 C97 G115L4-G113 WeakPolarHBondContact O-CA 3.26Å; E6-G113 VanDerWaalsContact OE1-CA 3.24Å; E6-G113 WeakPolarHBondContact OE1-CA 3.37Å; E6-G113 WeakPolarHBondContact OE2-CA 3.48Å; C97-G113 PolarHBondContact O-N 3.49Å; G113-G115 PolarHBondContact O-N 3.23Å
114Q95.2Very high82.5Confident175 Ų17570.8 Ų70.882%0.81840%0.404SS*.  trans-73.5-19-179.3-66-63.8-55.600112.1E6E6-Q114 PolarHBondContact OE2-N 3.37Å
115G96.3Very high83.8Confident22 Ų2273.2 Ų73.223%0.22742%0.415CS..  trans89.7149.3-176.400000112.8E6 F95 Y96 G113E6-G115 PolarHBondContact OE1-N 3.29Å; E6-G115 PolarHBondContact OE2-N 3.43Å; E6-G115 VanDerWaalsContact OE2-N 3.15Å; F95-G115 CarbonylContact O-C 3.58Å; F95-G115 VanDerWaalsContact O-CA 3.24Å; F95-G115 WeakPolarHBondContact O-CA 3.37Å; Y96-G115 VanDerWaalsContact CD1-CA 3.42Å; G113-G115 PolarHBondContact O-N 3.23Å
116S97.1Very high85.7Confident22 Ų2272.8 Ų72.815%0.15439%0.392CS..EExtended strand (participates in β ladder)trans-122.6119.6175.6-177.70000109.6F95 V118F95-S116 PolarHBondContact N-O 2.94Å; F95-S116 PolarHBondContact O-N 2.73Å; S116-V118 PolarHBondContact O-N 3.38Å
117L97.6Very high87.9Confident100 Ų10068.5 Ų68.552%0.52438%0.377SS..EExtended strand (participates in β ladder)trans-69.4126.9171.2178.463.4000109.6V94V94-L117 HydrophobicContact CG2-CB 4.5Å; V94-L117 HydrophobicContact CG2-CD1 4.03Å
118V97.8Very high89.9Confident0 Ų066.1 Ų66.10%036%0.357CS..EExtended strand (participates in β ladder)trans-120.5126170.7-178.40000108.3V12 L18 L20 T92 A93 F95 S116V12-V118 HydrophobicContact CG2-CG1 4.18Å; L18-V118 HydrophobicContact CD1-CG1 3.79Å; L18-V118 HydrophobicContact CD1-CG2 4.08Å; L18-V118 HydrophobicContact CD2-CB 4.47Å; L18-V118 HydrophobicContact CD2-CG1 3.98Å; L18-V118 HydrophobicContact CD2-CG2 4.3Å; L18-V118 HydrophobicContact CG-CG1 4.49Å; L20-V118 HydrophobicContact CD1-CG2 4.31Å; L20-V118 HydrophobicContact CD2-CG2 3.99Å; T92-V118 WeakPolarHBondContact CA-O 3.31Å; A93-V118 PolarHBondContact N-O 3.29Å; A93-V118 VanDerWaalsContact N-O 3.13Å; A93-V118 PolarHBondContact O-N 3.21Å; F95-V118 HydrophobicContact CD2-CB 3.93Å; F95-V118 HydrophobicContact CD2-CG2 3.68Å; F95-V118 HydrophobicContact CE2-CB 3.85Å; F95-V118 HydrophobicContact CE2-CG2 4.04Å; S116-V118 PolarHBondContact O-N 3.38Å
119T97.6Very high91.8Very high55 Ų5561.3 Ų61.334%0.33734%0.341SS..EExtended strand (participates in β ladder)trans-106133.5174.3-53.70000109.4G10 L11 V12G10-T119 PolarHBondContact O-N 3.07Å; L11-T119 CarbonylContact C-O 3.56Å; L11-T119 VanDerWaalsContact CA-O 3.31Å; L11-T119 WeakPolarHBondContact CA-O 3.29Å; L11-T119 HydrophobicContact CD1-CG2 3.94Å; V12-T119 PolarHBondContact N-O 2.77Å
120V96.6Very high93.2Very high7 Ų763.2 Ų63.24%0.04236%0.355CS..EExtended strand (participates in β ladder)trans-104.2118.4168.8-174.90000108V12 P14 V87 T88 D91 T92V12-V120 VanDerWaalsContact O-CA 3.29Å; V12-V120 WeakPolarHBondContact O-CA 3.33Å; P14-V120 HydrophobicContact CG-CG1 4.31Å; V87-V120 HydrophobicContact CB-CG1 4.48Å; V87-V120 HydrophobicContact CB-CG2 4.08Å; V87-V120 HydrophobicContact CG2-CG1 3.94Å; V87-V120 HydrophobicContact CG2-CG2 4.04Å; T88-V120 WeakPolarHBondContact O-CB 3.4Å; T88-V120 WeakPolarHBondContact O-CG1 2.98Å; T88-V120 WeakPolarHBondContact O-CG2 3.33Å; D91-V120 HydrophobicContact CB-CG2 4.4Å; T92-V120 PolarHBondContact OG1-N 2.95Å
121S91.9Very high94.1Very high41 Ų4161.9 Ų61.929%0.28735%0.35SS..  trans-63.8146-179.1610000110.9V12 P14V12-S121 PolarHBondContact O-N 2.58Å; P14-S121 WeakPolarHBondContact CD-O 3.4Å; P14-S121 WeakPolarHBondContact CG-O 3.4Å
122S79.8Confident94.5Very high168 Ų16863.5 Ų63.5100%1.17537%0.365SS*.  trans-77.20171.958.50000112.3

Retrieved 122 of 122 residues in 149 ms (Link to these results)

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