A0A068LKQ5_HUMAN Loading...

Ig heavy chain variable region

AlphaFold DB , UniProt , Accession A0A068LKQ5, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 123 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
1Q83Confident95.4Very high208 Ų20875.5 Ų75.597%0.97243%0.427SS*.  0139.20-175174.311.200107.7
2V91.8Very high95.6Very high27 Ų2769.8 Ų69.816%0.16440%0.395CS..  trans-71.7134.9179.2-178.70000109.5V24 S25 W34 V112V2-V24 HydrophobicContact CG1-CG1 4.17Å; V2-S25 VanDerWaalsContact CA-O 3.31Å; V2-S25 WeakPolarHBondContact CA-O 3.44Å; V2-W34 HydrophobicContact CG1-CH2 4.42Å; V2-V112 HydrophobicContact CB-CG1 4.45Å; V2-V112 HydrophobicContact CB-CG2 4.41Å; V2-V112 HydrophobicContact CG1-CG1 4.19Å
3Q95.7Very high95.8Very high123 Ų12373.2 Ų73.258%0.57540%0.403SS*.EExtended strand (participates in β ladder)trans-129150.5172.8-60176.5-21.800110.4S25Q3-S25 WeakPolarHBondContact CB-OG 3.39Å; Q3-S25 PolarHBondContact N-O 3.24Å; Q3-S25 PolarHBondContact O-N 3.05Å
4L97.6Very high95.9Very high12 Ų1272.3 Ų72.36%0.06340%0.402CS..EExtended strand (participates in β ladder)trans-123.2131.9-178.3-69.6-173.6000109.2N23 V24 W34 C95 V112 G114L4-N23 WeakPolarHBondContact CA-O 3.31Å; L4-V24 HydrophobicContact CD2-CB 4.29Å; L4-V24 HydrophobicContact CD2-CG1 4.31Å; L4-V24 HydrophobicContact CD2-CG2 3.76Å; L4-W34 HydrophobicContact CD1-CZ3 4.26Å; L4-W34 HydrophobicContact CD2-CE3 4.15Å; L4-W34 HydrophobicContact CD2-CH2 4.46Å; L4-W34 HydrophobicContact CD2-CZ3 3.65Å; L4-W34 HydrophobicContact CG-CZ3 4.43Å; L4-C95 HydrophobicContact CD1-CB 4.37Å; L4-V112 HydrophobicContact CD1-CG1 4.05Å; L4-V112 HydrophobicContact CG-CG1 3.91Å; L4-G114 WeakPolarHBondContact O-CA 3.33Å
5Q98.3Very high96Very high136 Ų13674 Ų7464%0.63642%0.421SS*.EExtended strand (participates in β ladder)trans-134.8110.2-178.7-175.3171.243.900111.2C22 N23Q5-C22 WeakPolarHBondContact O-CA 3.46Å; Q5-N23 HydrophobicContact CB-CB 4.5Å; Q5-N23 PolarHBondContact N-O 3.27Å; Q5-N23 PolarHBondContact O-N 3.32Å
6E98.6Very high96.1Very high21 Ų2175.3 Ų75.310%0.09842%0.423CS..EExtended strand (participates in β ladder)trans-74.7146174-58.185.3164.200112T21 W36 Y94 C95 G114 Q115 G116 T117E6-T21 CarbonylContact C-O 3.49Å; E6-T21 WeakPolarHBondContact CA-O 3.35Å; E6-W36 HydrophobicContact CG-CH2 4.14Å; E6-W36 HydrophobicContact CG-CZ3 3.97Å; E6-Y94 VanDerWaalsContact OE1-CA 3.29Å; E6-Y94 WeakPolarHBondContact OE1-CA 3.26Å; E6-C95 HydrophobicContact CG-CB 4.32Å; E6-C95 WeakPolarHBondContact CG-SG 3.29Å; E6-C95 PolarHBondContact OE1-N 2.75Å; E6-C95 PolarHBondContact OE1-SG 3.02Å; E6-G114 VanDerWaalsContact OE1-CA 3.26Å; E6-G114 WeakPolarHBondContact OE1-CA 3.41Å; E6-G114 WeakPolarHBondContact OE2-CA 2.93Å; E6-Q115 PolarHBondContact OE2-N 3.43Å; E6-G116 PolarHBondContact OE1-N 3.07Å; E6-G116 PolarHBondContact OE2-N 3.42Å; E6-G116 VanDerWaalsContact OE2-N 3.1Å; E6-T117 HydrophobicContact CB-CG2 3.77Å; E6-T117 HydrophobicContact CG-CG2 4.48Å
7S98Very high96.3Very high58 Ų5875.4 Ų75.441%0.40643%0.425SS..EExtended strand (participates in β ladder)trans-149.5153.1172.1570000110.5L20 T21S7-L20 WeakPolarHBondContact O-CA 3.39Å; S7-T21 PolarHBondContact N-O 2.71Å; S7-T21 PolarHBondContact O-N 2.79Å; S7-T21 PolarHBondContact OG-O 3.14Å
8G96.9Very high96.4Very high42 Ų4271.2 Ų71.243%0.43340%0.402SS..  trans158.5-174.318000000111.7
9P95.8Very high96.5Very high50 Ų5070.3 Ų70.333%0.32540%0.401SS..  trans-70.9136.7-179.730.2-34.6000111.2V12 L18 S19P9-V12 HydrophobicContact CB-CG2 3.89Å; P9-V12 HydrophobicContact CG-CG2 3.53Å; P9-L18 HydrophobicContact CG-CD1 3.69Å; P9-S19 WeakPolarHBondContact CD-O 3.32Å
10G95.8Very high96.6Very high45 Ų4566.8 Ų66.846%0.46438%0.381SS..SBendtrans-79.4-21.9173.600000113.9T120G10-T120 PolarHBondContact O-N 3.41Å
11L97.7Very high96.7Very high108 Ų10865.2 Ų65.257%0.56537%0.372SS*.EExtended strand (participates in β ladder)trans-136.2133179.4179.265.6000109.5T120 S122L11-T120 WeakPolarHBondContact CA-O 3.24Å; L11-T120 HydrophobicContact CD1-CG2 4.09Å; L11-S122 VanDerWaalsContact CD1-OG 3.25Å; L11-S122 WeakPolarHBondContact CD1-OG 3.4Å
12V97.6Very high97.4Very high7 Ų755.3 Ų55.34%0.04233%0.326CS..EExtended strand (participates in β ladder)trans-137.4144.5178.7-176.70000108.8P9 E16 L18 V85 V119 T120 V121 S122P9-V12 HydrophobicContact CB-CG2 3.89Å; P9-V12 HydrophobicContact CG-CG2 3.53Å; V12-E16 HydrophobicContact CG1-CB 3.7Å; V12-E16 WeakPolarHBondContact CG1-OE2 3.48Å; V12-L18 HydrophobicContact CG2-CD1 3.98Å; V12-V85 HydrophobicContact CB-CG2 4.49Å; V12-V85 HydrophobicContact CG1-CG2 3.77Å; V12-V119 HydrophobicContact CG2-CG1 4.26Å; V12-T120 PolarHBondContact N-O 2.97Å; V12-V121 VanDerWaalsContact O-CA 3.27Å; V12-V121 WeakPolarHBondContact O-CA 3.43Å; V12-S122 PolarHBondContact O-N 2.59Å
13K98.1Very high97.7Very high115 Ų11556.6 Ų56.650%0.533%0.332SS..  trans-83.2154.1177.5-65.2-178.9177.4-179.60111.4E16 V85K13-E16 HydrophobicContact CB-CG 4.07Å; K13-E16 PolarHBondContact N-OE2 2.78Å; K13-E16 WeakPolarHBondContact O-CB 3.39Å; K13-E16 PolarHBondContact O-N 2.96Å; K13-V85 VanDerWaalsContact O-CG2 3.31Å; K13-V85 WeakPolarHBondContact O-CG2 3.35Å
14P98.2Very high97.8Very high60 Ų6051.2 Ų51.239%0.3931%0.307SS..THydrogen-bonded Turntrans-52.3146.5171.5-25.934.6000112.1E16 V85 V121P14-E16 PolarHBondContact O-N 3.03Å; P14-V85 CarbonylContact C-O 3.58Å; P14-V85 WeakPolarHBondContact CA-O 3.39Å; P14-V121 HydrophobicContact CG-CG1 4.27Å
15S97.5Very high97.7Very high98 Ų9853.3 Ų53.369%0.68532%0.323SS*.THydrogen-bonded Turntrans69.9-7.9-177.2-53.30000116.3V85S15-V85 PolarHBondContact N-O 2.79Å
16E97.9Very high97.4Very high95 Ų9549.8 Ų49.844%0.44432%0.323SS..SBendtrans-74.8177.4172.9-64.5-175.8155.700111.9V12 K13 P14 S84 V85V12-E16 HydrophobicContact CG1-CB 3.7Å; V12-E16 WeakPolarHBondContact CG1-OE2 3.48Å; K13-E16 HydrophobicContact CB-CG 4.07Å; K13-E16 PolarHBondContact N-OE2 2.78Å; K13-E16 WeakPolarHBondContact O-CB 3.39Å; K13-E16 PolarHBondContact O-N 2.96Å; P14-E16 PolarHBondContact O-N 3.03Å; E16-S84 PolarHBondContact O-N 2.89Å; E16-S84 VanDerWaalsContact O-N 3.16Å; E16-V85 PolarHBondContact O-N 3.04Å; E16-V85 VanDerWaalsContact O-N 3.09Å
17T98.3Very high96.9Very high77 Ų7750.3 Ų50.347%0.47234%0.335SS..  trans-105.2117.9174.5-61.90000110K81 L82T17-K81 HydrophobicContact CG2-CB 4.38Å; T17-L82 CarbonylContact C-O 3.47Å; T17-L82 WeakPolarHBondContact CA-O 3.43Å
18L98.4Very high96.5Very high0 Ų050 Ų500%033%0.332CS..EExtended strand (participates in β ladder)trans-74.3129.1168.3169.862.7000109.2P9 V12 L20 K81 L82 V85 Y93 V119P9-L18 HydrophobicContact CG-CD1 3.69Å; V12-L18 HydrophobicContact CG2-CD1 3.98Å; L18-L20 HydrophobicContact CD1-CD2 3.74Å; L18-L20 HydrophobicContact CD1-CG 3.92Å; L18-L20 HydrophobicContact CD2-CD1 4.23Å; L18-L20 HydrophobicContact CD2-CG 4.29Å; L18-L20 HydrophobicContact CG-CD2 4.41Å; L18-L20 HydrophobicContact CG-CG 4.04Å; L18-K81 WeakPolarHBondContact O-CA 3.27Å; L18-L82 HydrophobicContact CB-CB 4.34Å; L18-L82 PolarHBondContact N-O 2.81Å; L18-L82 PolarHBondContact O-N 2.75Å; L18-V85 HydrophobicContact CB-CG1 3.76Å; L18-Y93 HydrophobicContact CD2-CE1 4.16Å; L18-Y93 HydrophobicContact CD2-CE2 4.07Å; L18-V119 HydrophobicContact CD1-CG1 3.78Å; L18-V119 HydrophobicContact CD1-CG2 4Å; L18-V119 HydrophobicContact CD2-CB 4.44Å; L18-V119 HydrophobicContact CD2-CG1 3.98Å; L18-V119 HydrophobicContact CD2-CG2 4.24Å; L18-V119 HydrophobicContact CG-CG1 4.48Å
19S98.4Very high96.2Very high54 Ų5448 Ų4838%0.37831%0.312SS..EExtended strand (participates in β ladder)trans-122.6115.3173.2-630000110P9 L80P9-S19 WeakPolarHBondContact CD-O 3.32Å; S19-L80 WeakPolarHBondContact CA-O 3.41Å
20L98.8Very high95.9Very high0 Ų047.8 Ų47.80%031%0.311CS..EExtended strand (participates in β ladder)trans-114.8150.5175.4-59.8-179.4000110.3S7 L18 W36 S79 L80 Y93 T117 V119S7-L20 WeakPolarHBondContact O-CA 3.39Å; L18-L20 HydrophobicContact CD1-CD2 3.74Å; L18-L20 HydrophobicContact CD1-CG 3.92Å; L18-L20 HydrophobicContact CD2-CD1 4.23Å; L18-L20 HydrophobicContact CD2-CG 4.29Å; L18-L20 HydrophobicContact CG-CD2 4.41Å; L18-L20 HydrophobicContact CG-CG 4.04Å; L20-W36 HydrophobicContact CB-CH2 3.6Å; L20-W36 HydrophobicContact CB-CZ2 4.05Å; L20-W36 HydrophobicContact CB-CZ3 4.05Å; L20-W36 HydrophobicContact CD1-CE3 4.47Å; L20-W36 HydrophobicContact CD1-CH2 4.33Å; L20-W36 HydrophobicContact CD1-CZ3 3.92Å; L20-S79 CarbonylContact O-C 3.57Å; L20-S79 WeakPolarHBondContact O-CA 3.01Å; L20-S79 VanDerWaalsContact O-CB 3.23Å; L20-S79 WeakPolarHBondContact O-CB 3.39Å; L20-L80 HydrophobicContact CB-CB 4.36Å; L20-L80 HydrophobicContact CD1-CD2 4.34Å; L20-L80 PolarHBondContact N-O 2.87Å; L20-L80 PolarHBondContact O-N 3.15Å; L20-Y93 VanDerWaalsContact CD1-CB 3.41Å; L20-Y93 HydrophobicContact CD1-CD1 3.67Å; L20-Y93 HydrophobicContact CD1-CD2 4.1Å; L20-Y93 HydrophobicContact CD1-CE1 4.47Å; L20-Y93 HydrophobicContact CD1-CG 3.46Å; L20-Y93 VanDerWaalsContact CD1-CG 3.46Å; L20-T117 HydrophobicContact CD1-CG2 4.09Å; L20-T117 HydrophobicContact CD2-CG2 3.91Å; L20-V119 HydrophobicContact CD1-CG2 4.34Å; L20-V119 HydrophobicContact CD2-CG2 3.99Å
21T98.6Very high95.4Very high34 Ų3448.6 Ų48.621%0.20931%0.31CS..EExtended strand (participates in β ladder)trans-130.9141.3174.8-63.90000109.3E6 S7 Q77 S79E6-T21 CarbonylContact C-O 3.49Å; E6-T21 WeakPolarHBondContact CA-O 3.35Å; S7-T21 PolarHBondContact N-O 2.71Å; S7-T21 PolarHBondContact O-N 2.79Å; S7-T21 PolarHBondContact OG-O 3.14Å; T21-Q77 HydrophobicContact CG2-CB 4.05Å; T21-Q77 HydrophobicContact CG2-CG 4.09Å; T21-S79 PolarHBondContact OG1-OG 3.3Å; T21-S79 VanDerWaalsContact OG1-OG 3.09Å
22C98.3Very high95Very high0 Ų046.3 Ų46.30%029%0.294CS..EExtended strand (participates in β ladder)trans-117.3122.1170.7-179.60000109.8Q5 W36 Q77 F78 C95Q5-C22 WeakPolarHBondContact O-CA 3.46Å; C22-W36 HydrophobicContact CB-CH2 3.99Å; C22-W36 HydrophobicContact CB-CZ2 3.81Å; C22-Q77 WeakPolarHBondContact O-CA 3.32Å; C22-F78 HydrophobicContact CB-CD1 4.04Å; C22-F78 HydrophobicContact CB-CE1 3.6Å; C22-F78 HydrophobicContact CB-CE2 4.23Å; C22-F78 HydrophobicContact CB-CZ 3.73Å; C22-F78 PolarHBondContact N-O 2.92Å; C22-F78 PolarHBondContact O-N 2.9Å; C22-F78 VanDerWaalsContact O-N 3.13Å; C22-F78 VanDerWaalsContact SG-CE1 3.57Å; C22-C95 HydrophobicContact CB-CB 3.44Å; C22-C95 VanDerWaalsContact CB-CB 3.44Å; C22-C95 WeakPolarHBondContact CB-SG 3.18Å; C22-C95 WeakPolarHBondContact SG-CB 3.46Å; C22-C95 CovalentContact SG-SG 2.04Å; C22-C95 PolarHBondContact SG-SG 3.02Å
23N97.9Very high94.7Very high54 Ų5448.6 Ų48.629%0.28930%0.302SS..EExtended strand (participates in β ladder)trans-86.2132.1174.1-69.511.3000109.8L4 Q5 Q77L4-N23 WeakPolarHBondContact CA-O 3.31Å; Q5-N23 HydrophobicContact CB-CB 4.5Å; Q5-N23 PolarHBondContact N-O 3.27Å; Q5-N23 PolarHBondContact O-N 3.32Å; N23-Q77 HydrophobicContact CB-CG 4.42Å; N23-Q77 WeakPolarHBondContact OD1-CG 3.45Å; N23-Q77 PolarHBondContact OD1-NE2 3.3Å
24V96.7Very high94.6Very high9 Ų943.2 Ų43.26%0.05528%0.279CS..EExtended strand (participates in β ladder)trans-100.2123.8172.6-1750000108.3V2 L4 I29 W34 N76 F78V2-V24 HydrophobicContact CG1-CG1 4.17Å; L4-V24 HydrophobicContact CD2-CB 4.29Å; L4-V24 HydrophobicContact CD2-CG1 4.31Å; L4-V24 HydrophobicContact CD2-CG2 3.76Å; V24-I29 HydrophobicContact CG2-CD1 4.03Å; V24-I29 HydrophobicContact CG2-CG1 4.17Å; V24-W34 HydrophobicContact CG1-CH2 3.68Å; V24-W34 HydrophobicContact CG1-CZ2 4.09Å; V24-W34 HydrophobicContact CG1-CZ3 4.33Å; V24-W34 HydrophobicContact CG2-CD2 4.46Å; V24-W34 HydrophobicContact CG2-CE3 4.32Å; V24-W34 HydrophobicContact CG2-CH2 4.07Å; V24-W34 HydrophobicContact CG2-CZ2 4.23Å; V24-W34 HydrophobicContact CG2-CZ3 4.13Å; V24-N76 WeakPolarHBondContact CB-O 3.24Å; V24-N76 PolarHBondContact N-O 2.85Å; V24-N76 PolarHBondContact O-ND2 3.04Å; V24-F78 HydrophobicContact CG2-CD1 4.22Å; V24-F78 HydrophobicContact CG2-CE1 4.15Å
25S95.6Very high94.5Very high56 Ų5640.4 Ų40.439%0.39226%0.261SS..EExtended strand (participates in β ladder)trans-123.3154.4174.170.30000111V2 Q3 G27V2-S25 VanDerWaalsContact CA-O 3.31Å; V2-S25 WeakPolarHBondContact CA-O 3.44Å; Q3-S25 WeakPolarHBondContact CB-OG 3.39Å; Q3-S25 PolarHBondContact N-O 3.24Å; Q3-S25 PolarHBondContact O-N 3.05Å; S25-G27 PolarHBondContact O-N 3.44Å
26G91.9Very high94.5Very high62 Ų6235.8 Ų35.864%0.63923%0.228SC*.SBendtrans67.218.7-179.700000115.1
27G87.7Confident94.5Very high33 Ų3331.4 Ų31.434%0.3421%0.208SC..SBendtrans-169.5173177.200000112.6S25 N76S25-G27 PolarHBondContact O-N 3.44Å; G27-N76 PolarHBondContact O-ND2 2.81Å
28S89.6Confident94.5Very high50 Ų5028.5 Ų28.535%0.3519%0.188SC..  trans-96.7134177.1-1780000111.8S30S28-S30 PolarHBondContact O-N 3.1Å; S28-S30 PolarHBondContact OG-N 2.94Å; S28-S30 VanDerWaalsContact OG-N 3.16Å; S28-S30 PolarHBondContact OG-OG 2.95Å
29I91.9Very high94.5Very high2 Ų232 Ų321%0.0120%0.204CC..G310 helixtrans-66.8-17172.5-156.5162.4000112.8V24 S31 W34 V71 M73 N76 Q77 F78V24-I29 HydrophobicContact CG2-CD1 4.03Å; V24-I29 HydrophobicContact CG2-CG1 4.17Å; I29-S31 VanDerWaalsContact C-N 3.33Å; I29-S31 PolarHBondContact O-N 3.29Å; I29-W34 HydrophobicContact CG1-CD2 4.45Å; I29-W34 HydrophobicContact CG1-CG 4.35Å; I29-W34 HydrophobicContact CG1-CZ2 4.39Å; I29-W34 VanDerWaalsContact CG1-NE1 3.31Å; I29-W34 PolarHBondContact O-NE1 3.1Å; I29-V71 HydrophobicContact CD1-CG2 3.71Å; I29-V71 HydrophobicContact CG1-CG2 3.98Å; I29-V71 HydrophobicContact CG2-CG2 4.39Å; I29-M73 HydrophobicContact CG2-CB 4.47Å; I29-M73 HydrophobicContact CG2-CG 4.17Å; I29-N76 WeakPolarHBondContact CB-OD1 3.43Å; I29-N76 WeakPolarHBondContact CG2-OD1 3.38Å; I29-N76 PolarHBondContact N-OD1 3.15Å; I29-Q77 WeakPolarHBondContact CD1-O 3.48Å; I29-F78 HydrophobicContact CD1-CB 4.08Å; I29-F78 HydrophobicContact CD1-CD1 3.98Å
30S89.9Confident94.5Very high44 Ų4429.9 Ų29.931%0.30819%0.19SC..G310 helixtrans-78.3-11-177.565.80000115.3S28 Y53S28-S30 PolarHBondContact O-N 3.1Å; S28-S30 PolarHBondContact OG-N 2.94Å; S28-S30 VanDerWaalsContact OG-N 3.16Å; S28-S30 PolarHBondContact OG-OG 2.95Å; S30-Y53 WeakPolarHBondContact O-CD1 3.25Å; S30-Y53 WeakPolarHBondContact O-CE1 3.27Å
31S83.6Confident94.4Very high62 Ų6234.6 Ų34.643%0.43422%0.22SC..G310 helixtrans-100.1-5.1-168.1-53.70000114.5I29I29-S31 VanDerWaalsContact C-N 3.33Å; I29-S31 PolarHBondContact O-N 3.29Å
32Y89.7Confident94.3Very high61 Ų6137.4 Ų37.424%0.23926%0.256CS..SBendtrans-146.1162.6-169.6-55.2-79.5000112.2W34 Y52 R97 Y99Y32-W34 HydrophobicContact CD2-CH2 4.27Å; Y32-W34 AromaticContact CD2-CZ2 3.91Å; Y32-W34 HydrophobicContact CD2-CZ2 3.91Å; Y32-W34 HydrophobicContact CG-CZ2 4.38Å; Y32-W34 VanDerWaalsContact O-CD1 3.25Å; Y32-W34 PolarHBondContact O-NE1 3.16Å; Y32-W34 VanDerWaalsContact O-NE1 3.13Å; Y32-Y52 WeakPolarHBondContact O-CD2 3.2Å; Y32-R97 HydrophobicContact CD1-CG 4.15Å; Y32-R97 HydrophobicContact CD2-CG 4.43Å; Y32-R97 HydrophobicContact CG-CG 3.86Å; Y32-Y99 AromaticContact CD1-CD2 3.73Å; Y32-Y99 HydrophobicContact CD1-CD2 3.73Å; Y32-Y99 HydrophobicContact CD1-CE2 4.21Å; Y32-Y99 AromaticContact CE1-CD2 3.55Å; Y32-Y99 HydrophobicContact CE1-CD2 3.55Å; Y32-Y99 AromaticContact CE1-CE2 3.71Å; Y32-Y99 HydrophobicContact CE1-CE2 3.71Å
33Y92.3Very high94.2Very high55 Ų5544.3 Ų44.322%0.21629%0.286CS..EExtended strand (participates in β ladder)trans-81.7143.5164.2-69.2-92.8000109.2Y50 I51 Y52 Y98Y33-Y50 AromaticContact CD1-CD2 3.44Å; Y33-Y50 HydrophobicContact CD1-CD2 3.44Å; Y33-Y50 VanDerWaalsContact CD1-CD2 3.44Å; Y33-Y50 AromaticContact CD1-CE2 3.56Å; Y33-Y50 HydrophobicContact CD1-CE2 3.56Å; Y33-Y50 HydrophobicContact CD1-CG 4.19Å; Y33-Y50 AromaticContact CE1-CD2 3.98Å; Y33-Y50 HydrophobicContact CE1-CD2 3.98Å; Y33-Y50 AromaticContact CE1-CE2 3.6Å; Y33-Y50 HydrophobicContact CE1-CE2 3.6Å; Y33-Y50 HydrophobicContact CG-CD2 4.44Å; Y33-I51 WeakPolarHBondContact CA-O 3.44Å; Y33-Y52 HydrophobicContact CD1-CD2 4.06Å; Y33-Y52 HydrophobicContact CD1-CG 4.19Å; Y33-Y52 AromaticContact CD2-CD2 3.98Å; Y33-Y52 HydrophobicContact CD2-CD2 3.98Å; Y33-Y52 HydrophobicContact CD2-CE2 4.39Å; Y33-Y52 HydrophobicContact CE1-CD2 4.15Å; Y33-Y52 AromaticContact CE1-CG 3.94Å; Y33-Y52 HydrophobicContact CE1-CG 3.94Å; Y33-Y52 HydrophobicContact CE2-CD2 4.03Å; Y33-Y52 HydrophobicContact CE2-CE2 4.35Å; Y33-Y52 HydrophobicContact CE2-CG 4.42Å; Y33-Y52 AromaticContact CG-CD2 3.98Å; Y33-Y52 HydrophobicContact CG-CD2 3.98Å; Y33-Y98 HydrophobicContact CD2-CD1 4.23Å; Y33-Y98 HydrophobicContact CG-CD1 4.17Å; Y33-Y98 PolarHBondContact N-O 2.85Å; Y33-Y98 PolarHBondContact O-N 3.13Å
34W95.1Very high94.1Very high2 Ų244.3 Ų44.31%0.00830%0.299CS..EExtended strand (participates in β ladder)trans-123.1124.1-177.8-58.299.4000109.5V2 L4 V24 I29 Y32 Y50 I51 F78 R97V2-W34 HydrophobicContact CG1-CH2 4.42Å; L4-W34 HydrophobicContact CD1-CZ3 4.26Å; L4-W34 HydrophobicContact CD2-CE3 4.15Å; L4-W34 HydrophobicContact CD2-CH2 4.46Å; L4-W34 HydrophobicContact CD2-CZ3 3.65Å; L4-W34 HydrophobicContact CG-CZ3 4.43Å; V24-W34 HydrophobicContact CG1-CH2 3.68Å; V24-W34 HydrophobicContact CG1-CZ2 4.09Å; V24-W34 HydrophobicContact CG1-CZ3 4.33Å; V24-W34 HydrophobicContact CG2-CD2 4.46Å; V24-W34 HydrophobicContact CG2-CE3 4.32Å; V24-W34 HydrophobicContact CG2-CH2 4.07Å; V24-W34 HydrophobicContact CG2-CZ2 4.23Å; V24-W34 HydrophobicContact CG2-CZ3 4.13Å; I29-W34 HydrophobicContact CG1-CD2 4.45Å; I29-W34 HydrophobicContact CG1-CG 4.35Å; I29-W34 HydrophobicContact CG1-CZ2 4.39Å; I29-W34 VanDerWaalsContact CG1-NE1 3.31Å; I29-W34 PolarHBondContact O-NE1 3.1Å; Y32-W34 HydrophobicContact CD2-CH2 4.27Å; Y32-W34 AromaticContact CD2-CZ2 3.91Å; Y32-W34 HydrophobicContact CD2-CZ2 3.91Å; Y32-W34 HydrophobicContact CG-CZ2 4.38Å; Y32-W34 VanDerWaalsContact O-CD1 3.25Å; Y32-W34 PolarHBondContact O-NE1 3.16Å; Y32-W34 VanDerWaalsContact O-NE1 3.13Å; W34-Y50 CarbonylContact O-C 3.47Å; W34-Y50 WeakPolarHBondContact O-CA 3.44Å; W34-Y50 WeakPolarHBondContact O-CB 3.37Å; W34-I51 HydrophobicContact CB-CG2 4.37Å; W34-I51 PolarHBondContact N-O 3.33Å; W34-I51 PolarHBondContact O-N 2.96Å; W34-F78 HydrophobicContact CB-CD1 3.83Å; W34-F78 HydrophobicContact CB-CD2 3.86Å; W34-F78 HydrophobicContact CB-CE1 3.66Å; W34-F78 HydrophobicContact CB-CE2 3.71Å; W34-F78 HydrophobicContact CB-CG 3.9Å; W34-F78 HydrophobicContact CB-CZ 3.56Å; W34-F78 HydrophobicContact CD2-CD1 4.41Å; W34-F78 HydrophobicContact CD2-CE1 4.05Å; W34-F78 AromaticContact CE3-CE1 3.92Å; W34-F78 HydrophobicContact CE3-CE1 3.92Å; W34-F78 HydrophobicContact CE3-CZ 4.34Å; W34-F78 HydrophobicContact CG-CD1 4.04Å; W34-F78 AromaticContact CG-CE1 3.96Å; W34-F78 HydrophobicContact CG-CE1 3.96Å; W34-F78 HydrophobicContact CG-CG 4.47Å; W34-F78 HydrophobicContact CG-CZ 4.32Å; W34-R97 HydrophobicContact CE3-CB 4.02Å; W34-R97 HydrophobicContact CE3-CG 4.24Å; W34-R97 HydrophobicContact CH2-CB 4.32Å; W34-R97 HydrophobicContact CH2-CG 4.03Å; W34-R97 HydrophobicContact CZ3-CB 3.6Å; W34-R97 HydrophobicContact CZ3-CG 3.77Å
35S96.6Very high94.1Very high1 Ų148.6 Ų48.61%0.00732%0.321CS..EExtended strand (participates in β ladder)trans-109.8147.3-172.5-64.50000111.6G49 Y50 C95 A96S35-G49 VanDerWaalsContact CA-O 3.28Å; S35-G49 WeakPolarHBondContact CA-O 3.47Å; S35-Y50 WeakPolarHBondContact OG-CB 3.42Å; S35-C95 WeakPolarHBondContact O-CA 3.31Å; S35-A96 PolarHBondContact N-O 2.8Å; S35-A96 PolarHBondContact O-N 3.04Å
36W98.1Very high94.1Very high0 Ų048.4 Ų48.40%031%0.314CS..EExtended strand (participates in β ladder)trans-105.3134.9162.4-77.798.9000109.6E6 L20 C22 I48 G49 F78 L80 Y94 C95E6-W36 HydrophobicContact CG-CH2 4.14Å; E6-W36 HydrophobicContact CG-CZ3 3.97Å; L20-W36 HydrophobicContact CB-CH2 3.6Å; L20-W36 HydrophobicContact CB-CZ2 4.05Å; L20-W36 HydrophobicContact CB-CZ3 4.05Å; L20-W36 HydrophobicContact CD1-CE3 4.47Å; L20-W36 HydrophobicContact CD1-CH2 4.33Å; L20-W36 HydrophobicContact CD1-CZ3 3.92Å; C22-W36 HydrophobicContact CB-CH2 3.99Å; C22-W36 HydrophobicContact CB-CZ2 3.81Å; W36-I48 HydrophobicContact CB-CB 4.17Å; W36-I48 HydrophobicContact CB-CD1 4.19Å; W36-I48 WeakPolarHBondContact O-CB 3.44Å; W36-I48 PolarHBondContact O-N 2.95Å; W36-G49 PolarHBondContact N-O 2.8Å; W36-G49 PolarHBondContact O-N 3.32Å; W36-F78 AromaticContact CD1-CD2 3.84Å; W36-F78 AromaticContact CD1-CE2 3.71Å; W36-F78 HydrophobicContact CD2-CE2 4.41Å; W36-F78 AromaticContact CE2-CE2 3.84Å; W36-F78 HydrophobicContact CG-CE2 4.35Å; W36-F78 HydrophobicContact CZ2-CE2 4.41Å; W36-F78 AromaticContact NE1-CD2 3.28Å; W36-F78 VanDerWaalsContact NE1-CD2 3.28Å; W36-F78 AromaticContact NE1-CE2 3.36Å; W36-L80 HydrophobicContact CB-CD2 4.26Å; W36-L80 HydrophobicContact CD2-CB 3.75Å; W36-L80 HydrophobicContact CD2-CD2 4.12Å; W36-L80 HydrophobicContact CE3-CB 4.47Å; W36-L80 HydrophobicContact CE3-CD2 4.28Å; W36-L80 HydrophobicContact CG-CB 3.84Å; W36-L80 HydrophobicContact CG-CD1 4.46Å; W36-L80 HydrophobicContact CG-CD2 4.13Å; W36-L80 HydrophobicContact CG-CG 4.37Å; W36-L80 HydrophobicContact CZ2-CB 4.16Å; W36-Y94 WeakPolarHBondContact CA-O 3.23Å; W36-C95 HydrophobicContact CZ3-CB 4.5Å
37I98Very high94.3Very high4 Ų448.9 Ų48.92%0.02130%0.296CS..EExtended strand (participates in β ladder)trans-132146.9178.7-55.993.4000106.8L45 E46 Y93 Y94 A96 M110 W113I37-L45 HydrophobicContact CG2-CB 3.93Å; I37-L45 HydrophobicContact CG2-CD2 3.78Å; I37-L45 HydrophobicContact CG2-CG 4.39Å; I37-E46 WeakPolarHBondContact CA-O 3.37Å; I37-E46 WeakPolarHBondContact CG2-O 3.42Å; I37-Y93 CarbonylContact O-C 3.59Å; I37-Y93 WeakPolarHBondContact O-CA 3.37Å; I37-Y94 PolarHBondContact N-O 3.12Å; I37-Y94 PolarHBondContact O-N 2.97Å; I37-A96 HydrophobicContact CD1-CB 3.59Å; I37-M110 HydrophobicContact CD1-CE 3.97Å; I37-M110 HydrophobicContact CD1-SD 3.69Å; I37-M110 HydrophobicContact CG1-CE 4.24Å; I37-M110 HydrophobicContact CG1-SD 4.21Å; I37-W113 HydrophobicContact CB-CH2 4.37Å; I37-W113 HydrophobicContact CB-CZ3 4.17Å; I37-W113 HydrophobicContact CD1-CH2 3.96Å; I37-W113 HydrophobicContact CD1-CZ3 3.95Å; I37-W113 HydrophobicContact CG1-CH2 4.03Å; I37-W113 HydrophobicContact CG1-CZ3 4.2Å; I37-W113 HydrophobicContact CG2-CH2 4.31Å; I37-W113 HydrophobicContact CG2-CZ3 4.3Å
38R97.9Very high94.8Very high16 Ų1647.4 Ų47.46%0.0628%0.281CS..EExtended strand (participates in β ladder)trans-128.4152.4170.665.8179.2-174.6-179.45.7111.7E46 I48 D89 A91 V92 Y93R38-E46 HydrophobicContact CG-CB 4.16Å; R38-E46 IonicContact CZ-OE2 3.6Å; R38-E46 PolarHBondContact N-O 2.63Å; R38-E46 IonicContact NE-OE2 2.95Å; R38-E46 PolarHBondContact NE-OE2 3.24Å; R38-E46 IonicContact NH2-OE1 4Å; R38-E46 IonicContact NH2-OE2 2.71Å; R38-E46 PolarHBondContact NH2-OE2 3.06Å; R38-E46 PolarHBondContact O-N 2.87Å; R38-I48 HydrophobicContact CB-CD1 3.93Å; R38-I48 HydrophobicContact CG-CD1 3.94Å; R38-I48 HydrophobicContact CG-CG1 4.09Å; R38-D89 IonicContact CZ-OD1 2.81Å; R38-D89 IonicContact NH1-OD1 3.22Å; R38-D89 PolarHBondContact NH1-OD1 2.94Å; R38-D89 IonicContact NH2-OD1 3.57Å; R38-A91 HydrophobicContact CB-CB 3.87Å; R38-A91 HydrophobicContact CG-CB 4.45Å; R38-V92 CarbonylContact C-O 3.46Å; R38-V92 VanDerWaalsContact CA-O 3.24Å; R38-V92 WeakPolarHBondContact CA-O 3.5Å; R38-Y93 HydrophobicContact CB-CD1 3.84Å; R38-Y93 HydrophobicContact CB-CE1 3.82Å; R38-Y93 HydrophobicContact CB-CG 4.24Å; R38-Y93 HydrophobicContact CG-CE1 4.48Å
39Q98.4Very high95.1Very high72 Ų7245 Ų4534%0.33626%0.264SS..EExtended strand (participates in β ladder)trans-124.3100.7172.5-169.1175.921.900109.9K43 L45 A91 V92 Y94Q39-K43 WeakPolarHBondContact CG-O 3.39Å; Q39-K43 PolarHBondContact NE2-O 2.92Å; Q39-L45 HydrophobicContact CB-CD2 3.98Å; Q39-L45 HydrophobicContact CG-CD2 4.47Å; Q39-A91 WeakPolarHBondContact O-CA 3.37Å; Q39-A91 VanDerWaalsContact O-CB 3.31Å; Q39-A91 WeakPolarHBondContact O-CB 3.31Å; Q39-V92 PolarHBondContact N-O 2.87Å; Q39-V92 PolarHBondContact O-N 3.18Å; Q39-Y94 HydrophobicContact CB-CE2 3.94Å
40P97.8Very high95.3Very high11 Ų1147.1 Ų47.17%0.07127%0.272CS..  trans-65151.9170.7-19.532.3000111.4G42 K43 A91P40-G42 PolarHBondContact O-N 3.19Å; P40-K43 HydrophobicContact CB-CB 4.15Å; P40-K43 HydrophobicContact CB-CD 4.02Å; P40-K43 HydrophobicContact CB-CG 4.25Å; P40-K43 HydrophobicContact CG-CB 4.4Å; P40-K43 HydrophobicContact CG-CD 4.25Å; P40-K43 PolarHBondContact O-N 2.91Å; P40-A91 HydrophobicContact CG-CB 4.41Å
41P96.7Very high95.6Very high98 Ų9845.3 Ų45.364%0.63626%0.259SS*.THydrogen-bonded Turntrans-53.9130.8176.2-25.734000112.2K43 T90P41-K43 PolarHBondContact O-N 3.49Å; P41-T90 VanDerWaalsContact CD-O 3.29Å; P41-T90 WeakPolarHBondContact CD-O 3.21Å; P41-T90 HydrophobicContact CG-CG2 4.46Å
42G96.9Very high96.1Very high94 Ų9444.8 Ų44.897%0.96925%0.248SC*.THydrogen-bonded Turntrans70.39.7179.900000115.3P40P40-G42 PolarHBondContact O-N 3.19Å
43K96.1Very high96.2Very high144 Ų14446.3 Ų46.363%0.62625%0.254SS*.SBendtrans-119.8164.3178.6-60-168.5-175.5177.50112.2Q39 P40 P41Q39-K43 WeakPolarHBondContact CG-O 3.39Å; Q39-K43 PolarHBondContact NE2-O 2.92Å; P40-K43 HydrophobicContact CB-CB 4.15Å; P40-K43 HydrophobicContact CB-CD 4.02Å; P40-K43 HydrophobicContact CB-CG 4.25Å; P40-K43 HydrophobicContact CG-CB 4.4Å; P40-K43 HydrophobicContact CG-CD 4.25Å; P40-K43 PolarHBondContact O-N 2.91Å; P41-K43 PolarHBondContact O-N 3.49Å
44G95.6Very high96.2Very high54 Ų5448.5 Ų48.556%0.55727%0.269SS*.  trans-72.4174.7170.300000112.7
45L96.4Very high96Very high99 Ų9950.3 Ų50.352%0.51829%0.289SS..  trans-65.2131.6173.8-68.9165.9000110.6I37 Q39 Y94 W113I37-L45 HydrophobicContact CG2-CB 3.93Å; I37-L45 HydrophobicContact CG2-CD2 3.78Å; I37-L45 HydrophobicContact CG2-CG 4.39Å; Q39-L45 HydrophobicContact CB-CD2 3.98Å; Q39-L45 HydrophobicContact CG-CD2 4.47Å; L45-Y94 HydrophobicContact CD2-CD2 4.07Å; L45-Y94 HydrophobicContact CD2-CE2 4.02Å; L45-W113 HydrophobicContact CD1-CH2 4.15Å
46E96.8Very high95.9Very high53 Ų5353.8 Ų53.825%0.24831%0.307CS..EExtended strand (participates in β ladder)trans-115.4116.4175.3-175.8-176.2-166.700109.2I37 R38I37-E46 WeakPolarHBondContact CA-O 3.37Å; I37-E46 WeakPolarHBondContact CG2-O 3.42Å; R38-E46 HydrophobicContact CG-CB 4.16Å; R38-E46 IonicContact CZ-OE2 3.6Å; R38-E46 PolarHBondContact N-O 2.63Å; R38-E46 IonicContact NE-OE2 2.95Å; R38-E46 PolarHBondContact NE-OE2 3.24Å; R38-E46 IonicContact NH2-OE1 4Å; R38-E46 IonicContact NH2-OE2 2.71Å; R38-E46 PolarHBondContact NH2-OE2 3.06Å; R38-E46 PolarHBondContact O-N 2.87Å
47W96.1Very high95.8Very high71 Ų7156.3 Ų56.327%0.26932%0.322SS..EExtended strand (participates in β ladder)trans-70.6131.9174178.276.8000110.5G49 Y50 K58 Y59 N60W47-G49 VanDerWaalsContact CE2-CA 3.47Å; W47-G49 PolarHBondContact NE1-O 3.34Å; W47-Y50 HydrophobicContact CH2-CD1 4.3Å; W47-Y50 AromaticContact CZ2-CD1 3.49Å; W47-Y50 HydrophobicContact CZ2-CD1 3.49Å; W47-Y50 VanDerWaalsContact CZ2-CD1 3.49Å; W47-Y50 HydrophobicContact CZ2-CE1 4.17Å; W47-Y50 HydrophobicContact CZ2-CG 4.16Å; W47-K58 HydrophobicContact CH2-CB 4.02Å; W47-K58 HydrophobicContact CH2-CD 4.22Å; W47-K58 HydrophobicContact CH2-CG 3.92Å; W47-K58 WeakPolarHBondContact CH2-O 3.36Å; W47-Y59 VanDerWaalsContact CZ3-C 3.45Å; W47-N60 HydrophobicContact CE3-CB 4.03Å; W47-N60 HydrophobicContact CZ3-CB 4.19Å; W47-N60 VanDerWaalsContact CZ3-N 3.32Å; W47-N60 VanDerWaalsContact O-CB 3.27Å; W47-N60 WeakPolarHBondContact O-CB 3.37Å; W47-N60 PolarHBondContact O-ND2 3.02Å
48I97.6Very high95.6Very high2 Ų261.8 Ų61.81%0.0135%0.346CS..EExtended strand (participates in β ladder)trans-95.7-47.3-179.5-65.5165.4000110.8W36 R38 N60 L63 V67 L80 Y93W36-I48 HydrophobicContact CB-CB 4.17Å; W36-I48 HydrophobicContact CB-CD1 4.19Å; W36-I48 WeakPolarHBondContact O-CB 3.44Å; W36-I48 PolarHBondContact O-N 2.95Å; R38-I48 HydrophobicContact CB-CD1 3.93Å; R38-I48 HydrophobicContact CG-CD1 3.94Å; R38-I48 HydrophobicContact CG-CG1 4.09Å; I48-N60 WeakPolarHBondContact O-CB 3.29Å; I48-N60 PolarHBondContact O-N 2.84Å; I48-L63 HydrophobicContact CB-CD1 4.4Å; I48-L63 HydrophobicContact CG1-CD1 3.98Å; I48-L63 HydrophobicContact CG2-CD1 4.34Å; I48-V67 HydrophobicContact CG2-CB 4.44Å; I48-V67 HydrophobicContact CG2-CG1 3.76Å; I48-V67 HydrophobicContact CG2-CG2 3.87Å; I48-L80 HydrophobicContact CD1-CD2 3.91Å; I48-L80 HydrophobicContact CG2-CD1 3.96Å; I48-Y93 HydrophobicContact CD1-CD1 3.86Å; I48-Y93 HydrophobicContact CD1-CE1 3.77Å
49G95.9Very high95.5Very high0 Ų063.1 Ų63.10%035%0.351CS..EExtended strand (participates in β ladder)trans171.9170.4-172.500000112.4S35 W36 W47 K58 I69S35-G49 VanDerWaalsContact CA-O 3.28Å; S35-G49 WeakPolarHBondContact CA-O 3.47Å; W36-G49 PolarHBondContact N-O 2.8Å; W36-G49 PolarHBondContact O-N 3.32Å; W47-G49 VanDerWaalsContact CE2-CA 3.47Å; W47-G49 PolarHBondContact NE1-O 3.34Å; G49-K58 CarbonylContact C-O 3.49Å; G49-K58 WeakPolarHBondContact CA-O 3.11Å; G49-I69 VanDerWaalsContact C-CD1 3.45Å
50Y95.8Very high95.3Very high47 Ų4761.1 Ų61.118%0.18434%0.343CS..EExtended strand (participates in β ladder)trans-132.6161.8169.368.8-117.9000111.8Y33 W34 S35 W47 T57 K58Y33-Y50 AromaticContact CD1-CD2 3.44Å; Y33-Y50 HydrophobicContact CD1-CD2 3.44Å; Y33-Y50 VanDerWaalsContact CD1-CD2 3.44Å; Y33-Y50 AromaticContact CD1-CE2 3.56Å; Y33-Y50 HydrophobicContact CD1-CE2 3.56Å; Y33-Y50 HydrophobicContact CD1-CG 4.19Å; Y33-Y50 AromaticContact CE1-CD2 3.98Å; Y33-Y50 HydrophobicContact CE1-CD2 3.98Å; Y33-Y50 AromaticContact CE1-CE2 3.6Å; Y33-Y50 HydrophobicContact CE1-CE2 3.6Å; Y33-Y50 HydrophobicContact CG-CD2 4.44Å; W34-Y50 CarbonylContact O-C 3.47Å; W34-Y50 WeakPolarHBondContact O-CA 3.44Å; W34-Y50 WeakPolarHBondContact O-CB 3.37Å; S35-Y50 WeakPolarHBondContact OG-CB 3.42Å; W47-Y50 HydrophobicContact CH2-CD1 4.3Å; W47-Y50 AromaticContact CZ2-CD1 3.49Å; W47-Y50 HydrophobicContact CZ2-CD1 3.49Å; W47-Y50 VanDerWaalsContact CZ2-CD1 3.49Å; W47-Y50 HydrophobicContact CZ2-CE1 4.17Å; W47-Y50 HydrophobicContact CZ2-CG 4.16Å; Y50-T57 VanDerWaalsContact O-CA 3.27Å; Y50-T57 WeakPolarHBondContact O-CA 3.38Å; Y50-K58 HydrophobicContact CD1-CB 4.09Å; Y50-K58 HydrophobicContact CD2-CB 4.3Å; Y50-K58 HydrophobicContact CE1-CB 3.52Å; Y50-K58 HydrophobicContact CE1-CD 3.8Å; Y50-K58 HydrophobicContact CE1-CG 4.28Å; Y50-K58 HydrophobicContact CE2-CB 3.77Å; Y50-K58 HydrophobicContact CG-CB 4.43Å; Y50-K58 PolarHBondContact N-O 2.8Å; Y50-K58 PolarHBondContact O-N 2.84Å; Y50-K58 VanDerWaalsContact O-N 3.15Å
51I95.7Very high95.2Very high5 Ų566 Ų663%0.02637%0.374CS..EExtended strand (participates in β ladder)trans-133.2143.5168.1-171.2157.7000111.1Y33 W34 N56 T57 I69 V71 F78Y33-I51 WeakPolarHBondContact CA-O 3.44Å; W34-I51 HydrophobicContact CB-CG2 4.37Å; W34-I51 PolarHBondContact N-O 3.33Å; W34-I51 PolarHBondContact O-N 2.96Å; I51-N56 CarbonylContact C-O 3.51Å; I51-N56 WeakPolarHBondContact CA-O 3.48Å; I51-T57 HydrophobicContact CB-CG2 3.85Å; I51-T57 HydrophobicContact CD1-CG2 3.69Å; I51-T57 HydrophobicContact CG1-CG2 3.65Å; I51-I69 HydrophobicContact CB-CB 4.47Å; I51-I69 HydrophobicContact CB-CG2 3.63Å; I51-I69 HydrophobicContact CD1-CG2 4.35Å; I51-I69 WeakPolarHBondContact CD1-O 3.5Å; I51-I69 HydrophobicContact CG2-CG2 3.44Å; I51-I69 VanDerWaalsContact CG2-CG2 3.44Å; I51-V71 HydrophobicContact CD1-CB 4.02Å; I51-V71 HydrophobicContact CD1-CG1 3.91Å; I51-V71 HydrophobicContact CG1-CB 4.39Å; I51-V71 HydrophobicContact CG1-CG1 4.32Å; I51-V71 HydrophobicContact CG2-CB 4.49Å; I51-F78 HydrophobicContact CG2-CB 4.27Å; I51-F78 HydrophobicContact CG2-CD2 4.49Å
52Y94.3Very high95Very high51 Ų5165.9 Ų65.920%0.238%0.376CS..  trans-102.8159.6163.3-160.6-130000110.5Y32 Y33 N54 G55 N56Y32-Y52 WeakPolarHBondContact O-CD2 3.2Å; Y33-Y52 HydrophobicContact CD1-CD2 4.06Å; Y33-Y52 HydrophobicContact CD1-CG 4.19Å; Y33-Y52 AromaticContact CD2-CD2 3.98Å; Y33-Y52 HydrophobicContact CD2-CD2 3.98Å; Y33-Y52 HydrophobicContact CD2-CE2 4.39Å; Y33-Y52 HydrophobicContact CE1-CD2 4.15Å; Y33-Y52 AromaticContact CE1-CG 3.94Å; Y33-Y52 HydrophobicContact CE1-CG 3.94Å; Y33-Y52 HydrophobicContact CE2-CD2 4.03Å; Y33-Y52 HydrophobicContact CE2-CE2 4.35Å; Y33-Y52 HydrophobicContact CE2-CG 4.42Å; Y33-Y52 AromaticContact CG-CD2 3.98Å; Y33-Y52 HydrophobicContact CG-CD2 3.98Å; Y52-N54 WeakPolarHBondContact CD1-OD1 3.26Å; Y52-N54 PolarHBondContact O-N 3.16Å; Y52-G55 PolarHBondContact O-N 3.21Å; Y52-N56 PolarHBondContact N-O 3.09Å
53Y92.8Very high94.9Very high94 Ų9461.7 Ų61.737%0.36933%0.332SS..THydrogen-bonded Turntrans-57.6-27.3-173.881.8-92.4000114.5S30 G55 M73S30-Y53 WeakPolarHBondContact O-CD1 3.25Å; S30-Y53 WeakPolarHBondContact O-CE1 3.27Å; Y53-G55 PolarHBondContact O-N 3.4Å; Y53-M73 HydrophobicContact CD2-SD 3.93Å; Y53-M73 HydrophobicContact CG-SD 4.49Å
54N91.7Very high94.8Very high101 Ų10161.4 Ų61.454%0.5433%0.331SS..THydrogen-bonded Turntrans-83.59.5177.369.50.6000113.7Y52 N56Y52-N54 WeakPolarHBondContact CD1-OD1 3.26Å; Y52-N54 PolarHBondContact O-N 3.16Å; N54-N56 VanDerWaalsContact OD1-CB 3.23Å; N54-N56 WeakPolarHBondContact OD1-CB 3.5Å; N54-N56 PolarHBondContact OD1-N 2.84Å; N54-N56 VanDerWaalsContact OD1-N 3.08Å
55G91.8Very high94.8Very high40 Ų4064.2 Ų64.241%0.41234%0.342SS..SBendtrans84.72.4-179.800000114.9Y52 Y53 T57Y52-G55 PolarHBondContact O-N 3.21Å; Y53-G55 PolarHBondContact O-N 3.4Å; G55-T57 PolarHBondContact O-N 3.18Å; G55-T57 VanDerWaalsContact O-N 3.1Å
56N93.7Very high94.9Very high74 Ų7462.1 Ų62.140%0.39633%0.327SS..  trans-63.3114.8173.9-176.5-8.7000109.8I51 Y52 N54I51-N56 CarbonylContact C-O 3.51Å; I51-N56 WeakPolarHBondContact CA-O 3.48Å; Y52-N56 PolarHBondContact N-O 3.09Å; N54-N56 VanDerWaalsContact OD1-CB 3.23Å; N54-N56 WeakPolarHBondContact OD1-CB 3.5Å; N54-N56 PolarHBondContact OD1-N 2.84Å; N54-N56 VanDerWaalsContact OD1-N 3.08Å
57T94.9Very high94.9Very high52 Ų5259.9 Ų59.932%0.31932%0.317SS..EExtended strand (participates in β ladder)trans-121.9147.2-176.248.60000111.6Y50 I51 G55Y50-T57 VanDerWaalsContact O-CA 3.27Å; Y50-T57 WeakPolarHBondContact O-CA 3.38Å; I51-T57 HydrophobicContact CB-CG2 3.85Å; I51-T57 HydrophobicContact CD1-CG2 3.69Å; I51-T57 HydrophobicContact CG1-CG2 3.65Å; G55-T57 PolarHBondContact O-N 3.18Å; G55-T57 VanDerWaalsContact O-N 3.1Å
58K95Very high95Very high120 Ų12060.3 Ų60.352%0.52233%0.328SS..EExtended strand (participates in β ladder)trans-134.8141.5166.5-165.6-179.2-179.5176.50108.3W47 G49 Y50W47-K58 HydrophobicContact CH2-CB 4.02Å; W47-K58 HydrophobicContact CH2-CD 4.22Å; W47-K58 HydrophobicContact CH2-CG 3.92Å; W47-K58 WeakPolarHBondContact CH2-O 3.36Å; G49-K58 CarbonylContact C-O 3.49Å; G49-K58 WeakPolarHBondContact CA-O 3.11Å; Y50-K58 HydrophobicContact CD1-CB 4.09Å; Y50-K58 HydrophobicContact CD2-CB 4.3Å; Y50-K58 HydrophobicContact CE1-CB 3.52Å; Y50-K58 HydrophobicContact CE1-CD 3.8Å; Y50-K58 HydrophobicContact CE1-CG 4.28Å; Y50-K58 HydrophobicContact CE2-CB 3.77Å; Y50-K58 HydrophobicContact CG-CB 4.43Å; Y50-K58 PolarHBondContact N-O 2.8Å; Y50-K58 PolarHBondContact O-N 2.84Å; Y50-K58 VanDerWaalsContact O-N 3.15Å
59Y95.6Very high95.1Very high43 Ų4360.6 Ų60.617%0.16933%0.329CS..EExtended strand (participates in β ladder)trans-121.5154.2-179.3-58.4-68.9000110.6W47 K64 V67 I69W47-Y59 VanDerWaalsContact CZ3-C 3.45Å; Y59-K64 HydrophobicContact CD2-CG 4.05Å; Y59-K64 HydrophobicContact CG-CG 4.36Å; Y59-V67 HydrophobicContact CD1-CB 4.25Å; Y59-V67 HydrophobicContact CD1-CG1 3.61Å; Y59-V67 HydrophobicContact CE1-CB 4.48Å; Y59-V67 HydrophobicContact CE1-CG1 3.64Å; Y59-I69 HydrophobicContact CD1-CD1 4.17Å; Y59-I69 HydrophobicContact CE1-CB 4.13Å; Y59-I69 HydrophobicContact CE1-CD1 3.85Å; Y59-I69 HydrophobicContact CE1-CG1 3.85Å; Y59-I69 PolarHBondContact OH-N 2.8Å
60N95Very high95.2Very high30 Ų3063 Ų6316%0.1635%0.346CS..  trans-63124.3162.4-176.8-27.8000108.7W47 I48 S62 L63 K64W47-N60 HydrophobicContact CE3-CB 4.03Å; W47-N60 HydrophobicContact CZ3-CB 4.19Å; W47-N60 VanDerWaalsContact CZ3-N 3.32Å; W47-N60 VanDerWaalsContact O-CB 3.27Å; W47-N60 WeakPolarHBondContact O-CB 3.37Å; W47-N60 PolarHBondContact O-ND2 3.02Å; I48-N60 WeakPolarHBondContact O-CB 3.29Å; I48-N60 PolarHBondContact O-N 2.84Å; N60-S62 PolarHBondContact O-N 3Å; N60-S62 VanDerWaalsContact O-N 3.1Å; N60-S62 PolarHBondContact OD1-N 3.48Å; N60-S62 VanDerWaalsContact OD1-N 3.1Å; N60-L63 PolarHBondContact O-N 3.06Å; N60-K64 PolarHBondContact O-N 3.38Å
61P95.3Very high95.2Very high113 Ų11362.6 Ų62.673%0.73435%0.348SS*.THydrogen-bonded Turntrans-51.4-36.1-178.2-2935.9000113.9L63P61-L63 PolarHBondContact O-N 3.17Å
62S93.3Very high95.2Very high97 Ų9764.8 Ų64.868%0.67836%0.36SS*.THydrogen-bonded Turntrans-68.9-18.8-179.3-58.30000114.1N60N60-S62 PolarHBondContact O-N 3Å; N60-S62 VanDerWaalsContact O-N 3.1Å; N60-S62 PolarHBondContact OD1-N 3.48Å; N60-S62 VanDerWaalsContact OD1-N 3.1Å
63L94Very high95.2Very high6 Ų667.8 Ų67.83%0.03138%0.377CS..THydrogen-bonded Turntrans-116-9.6-177-60.6174.6000113.2I48 N60 P61 S65 R66 V67I48-L63 HydrophobicContact CB-CD1 4.4Å; I48-L63 HydrophobicContact CG1-CD1 3.98Å; I48-L63 HydrophobicContact CG2-CD1 4.34Å; N60-L63 PolarHBondContact O-N 3.06Å; P61-L63 PolarHBondContact O-N 3.17Å; L63-S65 PolarHBondContact O-N 3.1Å; L63-R66 PolarHBondContact O-N 3.3Å; L63-V67 HydrophobicContact CB-CG2 3.79Å; L63-V67 WeakPolarHBondContact O-CG2 3.47Å; L63-V67 PolarHBondContact O-N 3.37Å
64K94Very high95.3Very high138 Ų13868.3 Ų68.360%0.639%0.394SS*.THydrogen-bonded Turntrans-54.4-31.7-170.6-174.1176.4-178.2-174.40114.5Y59 N60 R66Y59-K64 HydrophobicContact CD2-CG 4.05Å; Y59-K64 HydrophobicContact CG-CG 4.36Å; N60-K64 PolarHBondContact O-N 3.38Å; K64-R66 VanDerWaalsContact C-N 3.31Å; K64-R66 PolarHBondContact O-N 2.63Å
65S96.4Very high95.5Very high113 Ų11369.6 Ų69.679%0.7940%0.395SS*.THydrogen-bonded Turntrans-74.9-18.6-178.956.30000114.2L63L63-S65 PolarHBondContact O-N 3.1Å
66R97.1Very high95.7Very high54 Ų5469.5 Ų69.520%0.20439%0.385CS..THydrogen-bonded Turntrans-115.9-10.8-174.8-59.2-171.9-60.8128-1.8113.6L63 K64 L82 S83 S84 D89L63-R66 PolarHBondContact O-N 3.3Å; K64-R66 VanDerWaalsContact C-N 3.31Å; K64-R66 PolarHBondContact O-N 2.63Å; R66-L82 HydrophobicContact CB-CD1 3.82Å; R66-L82 WeakPolarHBondContact O-CA 2.95Å; R66-S83 WeakPolarHBondContact CA-OG 3.13Å; R66-S83 PolarHBondContact NH1-O 3.22Å; R66-S83 PolarHBondContact O-N 3.48Å; R66-S83 PolarHBondContact O-OG 3.36Å; R66-S84 PolarHBondContact NH1-O 2.04Å; R66-D89 IonicContact CZ-OD1 3.55Å; R66-D89 IonicContact CZ-OD2 2.84Å; R66-D89 IonicContact NH1-OD1 3.66Å; R66-D89 IonicContact NH1-OD2 3.41Å; R66-D89 PolarHBondContact NH1-OD2 2.84Å; R66-D89 IonicContact NH2-OD1 3.75Å; R66-D89 PolarHBondContact NH2-OD1 2.86Å; R66-D89 IonicContact NH2-OD2 2.75Å
67V97.9Very high95.9Very high6 Ų668.1 Ų68.14%0.03638%0.376CS..EExtended strand (participates in β ladder)trans-104.1133.4-171.8171.60000111.5I48 Y59 L63 I69 L80 K81 L82I48-V67 HydrophobicContact CG2-CB 4.44Å; I48-V67 HydrophobicContact CG2-CG1 3.76Å; I48-V67 HydrophobicContact CG2-CG2 3.87Å; Y59-V67 HydrophobicContact CD1-CB 4.25Å; Y59-V67 HydrophobicContact CD1-CG1 3.61Å; Y59-V67 HydrophobicContact CE1-CB 4.48Å; Y59-V67 HydrophobicContact CE1-CG1 3.64Å; L63-V67 HydrophobicContact CB-CG2 3.79Å; L63-V67 WeakPolarHBondContact O-CG2 3.47Å; L63-V67 PolarHBondContact O-N 3.37Å; V67-I69 HydrophobicContact CG1-CD1 4.42Å; V67-I69 HydrophobicContact CG1-CG1 4.06Å; V67-L80 HydrophobicContact CG1-CD1 3.61Å; V67-K81 WeakPolarHBondContact CA-O 3.06Å; V67-L82 HydrophobicContact CG2-CD1 3.48Å; V67-L82 VanDerWaalsContact CG2-CD1 3.48Å
68T98.3Very high96Very high81 Ų8165.6 Ų65.650%0.49736%0.361SS..EExtended strand (participates in β ladder)trans-127.5125.8166-59.20000108.9K81T68-K81 PolarHBondContact N-O 2.87Å; T68-K81 PolarHBondContact O-N 2.89Å
69I98.3Very high96.1Very high7 Ų761.1 Ų61.14%0.03635%0.345CS..EExtended strand (participates in β ladder)trans-109.3136.5170.8-61.1166.8000108.4G49 I51 Y59 V67 S79 L80G49-I69 VanDerWaalsContact C-CD1 3.45Å; I51-I69 HydrophobicContact CB-CB 4.47Å; I51-I69 HydrophobicContact CB-CG2 3.63Å; I51-I69 HydrophobicContact CD1-CG2 4.35Å; I51-I69 WeakPolarHBondContact CD1-O 3.5Å; I51-I69 HydrophobicContact CG2-CG2 3.44Å; I51-I69 VanDerWaalsContact CG2-CG2 3.44Å; Y59-I69 HydrophobicContact CD1-CD1 4.17Å; Y59-I69 HydrophobicContact CE1-CB 4.13Å; Y59-I69 HydrophobicContact CE1-CD1 3.85Å; Y59-I69 HydrophobicContact CE1-CG1 3.85Å; Y59-I69 PolarHBondContact OH-N 2.8Å; V67-I69 HydrophobicContact CG1-CD1 4.42Å; V67-I69 HydrophobicContact CG1-CG1 4.06Å; I69-S79 VanDerWaalsContact CA-O 3.32Å; I69-S79 WeakPolarHBondContact CA-O 3.42Å; I69-S79 WeakPolarHBondContact CG2-O 3.39Å; I69-L80 HydrophobicContact CG1-CD1 3.89Å
70S97.6Very high96.3Very high51 Ų5159.1 Ų59.136%0.35734%0.337SS..EExtended strand (participates in β ladder)trans-135.4153.9-178.253.60000111.3F78 S79S70-F78 CarbonylContact O-C 3.49Å; S70-F78 WeakPolarHBondContact O-CA 3.27Å; S70-F78 WeakPolarHBondContact O-CB 3.16Å; S70-S79 PolarHBondContact N-O 3.41Å; S70-S79 PolarHBondContact O-N 2.91Å
71V96.9Very high96.5Very high38 Ų3862.9 Ų62.923%0.2335%0.352CS..EExtended strand (participates in β ladder)trans-123135.8179.364.50000109.9I29 I51I29-V71 HydrophobicContact CD1-CG2 3.71Å; I29-V71 HydrophobicContact CG1-CG2 3.98Å; I29-V71 HydrophobicContact CG2-CG2 4.39Å; I51-V71 HydrophobicContact CD1-CB 4.02Å; I51-V71 HydrophobicContact CD1-CG1 3.91Å; I51-V71 HydrophobicContact CG1-CB 4.39Å; I51-V71 HydrophobicContact CG1-CG1 4.32Å; I51-V71 HydrophobicContact CG2-CB 4.49Å
72D95.8Very high96.6Very high52 Ų5257.6 Ų57.628%0.27832%0.318SS..EExtended strand (participates in β ladder)trans-119.498.2173.4-174.7-17.9000108.6S74 K75 N76 Q77D72-S74 VanDerWaalsContact C-N 3.26Å; D72-S74 PolarHBondContact O-N 2.83Å; D72-S74 WeakPolarHBondContact OD1-CB 3.18Å; D72-S74 PolarHBondContact OD1-N 2.75Å; D72-S74 PolarHBondContact OD1-OG 2.87Å; D72-K75 HydrophobicContact CB-CB 4.48Å; D72-K75 PolarHBondContact O-N 3.27Å; D72-K75 PolarHBondContact OD1-N 2.84Å; D72-K75 VanDerWaalsContact OD2-CD 3.24Å; D72-K75 WeakPolarHBondContact OD2-CD 3.48Å; D72-K75 WeakPolarHBondContact OD2-CE 3.28Å; D72-K75 WeakPolarHBondContact OD2-CG 3.49Å; D72-K75 IonicContact OD2-NZ 3.75Å; D72-N76 PolarHBondContact O-N 3.32Å; D72-Q77 PolarHBondContact N-O 2.91Å; D72-Q77 PolarHBondContact O-N 2.97Å
73M94.3Very high96.8Very high113 Ų11355 Ų5556%0.55730%0.299SS*.THydrogen-bonded Turntrans-67.5-27.4179.9-65.3-172.9-68.600112.5I29 Y53 K75 N76I29-M73 HydrophobicContact CG2-CB 4.47Å; I29-M73 HydrophobicContact CG2-CG 4.17Å; Y53-M73 HydrophobicContact CD2-SD 3.93Å; Y53-M73 HydrophobicContact CG-SD 4.49Å; M73-K75 VanDerWaalsContact C-N 3.26Å; M73-K75 PolarHBondContact O-N 2.77Å; M73-N76 PolarHBondContact O-N 2.81Å
74S94.4Very high97Very high105 Ų10558 Ų5873%0.73432%0.32SS*.THydrogen-bonded Turntrans-69.3-29.4-179.6750000112D72D72-S74 VanDerWaalsContact C-N 3.26Å; D72-S74 PolarHBondContact O-N 2.83Å; D72-S74 WeakPolarHBondContact OD1-CB 3.18Å; D72-S74 PolarHBondContact OD1-N 2.75Å; D72-S74 PolarHBondContact OD1-OG 2.87Å
75K95.7Very high97.2Very high128 Ų12851.4 Ų51.456%0.55729%0.292SS*.THydrogen-bonded Turntrans-102.2-5.1178.9-61.1-176.6-170.11700113.8D72 M73 Q77D72-K75 HydrophobicContact CB-CB 4.48Å; D72-K75 PolarHBondContact O-N 3.27Å; D72-K75 PolarHBondContact OD1-N 2.84Å; D72-K75 VanDerWaalsContact OD2-CD 3.24Å; D72-K75 WeakPolarHBondContact OD2-CD 3.48Å; D72-K75 WeakPolarHBondContact OD2-CE 3.28Å; D72-K75 WeakPolarHBondContact OD2-CG 3.49Å; D72-K75 IonicContact OD2-NZ 3.75Å; M73-K75 VanDerWaalsContact C-N 3.26Å; M73-K75 PolarHBondContact O-N 2.77Å; K75-Q77 VanDerWaalsContact C-N 3.3Å; K75-Q77 HydrophobicContact CB-CB 4.18Å; K75-Q77 HydrophobicContact CB-CG 3.96Å; K75-Q77 WeakPolarHBondContact O-CG 3.46Å; K75-Q77 PolarHBondContact O-N 2.95Å
76N96.2Very high97.2Very high39 Ų3949.2 Ų49.221%0.20927%0.274CS..THydrogen-bonded Turntrans56.645.3-172-149.943.3000111.8V24 G27 I29 D72 M73V24-N76 WeakPolarHBondContact CB-O 3.24Å; V24-N76 PolarHBondContact N-O 2.85Å; V24-N76 PolarHBondContact O-ND2 3.04Å; G27-N76 PolarHBondContact O-ND2 2.81Å; I29-N76 WeakPolarHBondContact CB-OD1 3.43Å; I29-N76 WeakPolarHBondContact CG2-OD1 3.38Å; I29-N76 PolarHBondContact N-OD1 3.15Å; D72-N76 PolarHBondContact O-N 3.32Å; M73-N76 PolarHBondContact O-N 2.81Å
77Q97.3Very high97.2Very high44 Ų4450.1 Ų50.121%0.20629%0.293CS..EExtended strand (participates in β ladder)trans-130.9151.7-173-73.1173.413.500112.2T21 C22 N23 I29 D72 K75T21-Q77 HydrophobicContact CG2-CB 4.05Å; T21-Q77 HydrophobicContact CG2-CG 4.09Å; C22-Q77 WeakPolarHBondContact O-CA 3.32Å; N23-Q77 HydrophobicContact CB-CG 4.42Å; N23-Q77 WeakPolarHBondContact OD1-CG 3.45Å; N23-Q77 PolarHBondContact OD1-NE2 3.3Å; I29-Q77 WeakPolarHBondContact CD1-O 3.48Å; D72-Q77 PolarHBondContact N-O 2.91Å; D72-Q77 PolarHBondContact O-N 2.97Å; K75-Q77 VanDerWaalsContact C-N 3.3Å; K75-Q77 HydrophobicContact CB-CB 4.18Å; K75-Q77 HydrophobicContact CB-CG 3.96Å; K75-Q77 WeakPolarHBondContact O-CG 3.46Å; K75-Q77 PolarHBondContact O-N 2.95Å
78F97.6Very high97.2Very high0 Ų053.2 Ų53.20%032%0.319CS..EExtended strand (participates in β ladder)trans-132.7151.1164.566.5-75.1000110.1C22 V24 I29 W34 W36 I51 S70 C95C22-F78 HydrophobicContact CB-CD1 4.04Å; C22-F78 HydrophobicContact CB-CE1 3.6Å; C22-F78 HydrophobicContact CB-CE2 4.23Å; C22-F78 HydrophobicContact CB-CZ 3.73Å; C22-F78 PolarHBondContact N-O 2.92Å; C22-F78 PolarHBondContact O-N 2.9Å; C22-F78 VanDerWaalsContact O-N 3.13Å; C22-F78 VanDerWaalsContact SG-CE1 3.57Å; V24-F78 HydrophobicContact CG2-CD1 4.22Å; V24-F78 HydrophobicContact CG2-CE1 4.15Å; I29-F78 HydrophobicContact CD1-CB 4.08Å; I29-F78 HydrophobicContact CD1-CD1 3.98Å; W34-F78 HydrophobicContact CB-CD1 3.83Å; W34-F78 HydrophobicContact CB-CD2 3.86Å; W34-F78 HydrophobicContact CB-CE1 3.66Å; W34-F78 HydrophobicContact CB-CE2 3.71Å; W34-F78 HydrophobicContact CB-CG 3.9Å; W34-F78 HydrophobicContact CB-CZ 3.56Å; W34-F78 HydrophobicContact CD2-CD1 4.41Å; W34-F78 HydrophobicContact CD2-CE1 4.05Å; W34-F78 AromaticContact CE3-CE1 3.92Å; W34-F78 HydrophobicContact CE3-CE1 3.92Å; W34-F78 HydrophobicContact CE3-CZ 4.34Å; W34-F78 HydrophobicContact CG-CD1 4.04Å; W34-F78 AromaticContact CG-CE1 3.96Å; W34-F78 HydrophobicContact CG-CE1 3.96Å; W34-F78 HydrophobicContact CG-CG 4.47Å; W34-F78 HydrophobicContact CG-CZ 4.32Å; W36-F78 AromaticContact CD1-CD2 3.84Å; W36-F78 AromaticContact CD1-CE2 3.71Å; W36-F78 HydrophobicContact CD2-CE2 4.41Å; W36-F78 AromaticContact CE2-CE2 3.84Å; W36-F78 HydrophobicContact CG-CE2 4.35Å; W36-F78 HydrophobicContact CZ2-CE2 4.41Å; W36-F78 AromaticContact NE1-CD2 3.28Å; W36-F78 VanDerWaalsContact NE1-CD2 3.28Å; W36-F78 AromaticContact NE1-CE2 3.36Å; I51-F78 HydrophobicContact CG2-CB 4.27Å; I51-F78 HydrophobicContact CG2-CD2 4.49Å; S70-F78 CarbonylContact O-C 3.49Å; S70-F78 WeakPolarHBondContact O-CA 3.27Å; S70-F78 WeakPolarHBondContact O-CB 3.16Å; F78-C95 HydrophobicContact CE1-CB 4.2Å; F78-C95 HydrophobicContact CE2-CB 4.02Å; F78-C95 HydrophobicContact CZ-CB 3.38Å
79S98.3Very high97.2Very high25 Ų2549.5 Ų49.518%0.17530%0.296CS..EExtended strand (participates in β ladder)trans-130152.7-169.8-57.80000111.5L20 T21 I69 S70L20-S79 CarbonylContact O-C 3.57Å; L20-S79 WeakPolarHBondContact O-CA 3.01Å; L20-S79 VanDerWaalsContact O-CB 3.23Å; L20-S79 WeakPolarHBondContact O-CB 3.39Å; T21-S79 PolarHBondContact OG1-OG 3.3Å; T21-S79 VanDerWaalsContact OG1-OG 3.09Å; I69-S79 VanDerWaalsContact CA-O 3.32Å; I69-S79 WeakPolarHBondContact CA-O 3.42Å; I69-S79 WeakPolarHBondContact CG2-O 3.39Å; S70-S79 PolarHBondContact N-O 3.41Å; S70-S79 PolarHBondContact O-N 2.91Å
80L98.6Very high97.2Very high1 Ų150.7 Ų50.71%0.00530%0.304CS..EExtended strand (participates in β ladder)trans-115.6127.5171.4173.668.8000108.3S19 L20 W36 I48 V67 I69 Y93S19-L80 WeakPolarHBondContact CA-O 3.41Å; L20-L80 HydrophobicContact CB-CB 4.36Å; L20-L80 HydrophobicContact CD1-CD2 4.34Å; L20-L80 PolarHBondContact N-O 2.87Å; L20-L80 PolarHBondContact O-N 3.15Å; W36-L80 HydrophobicContact CB-CD2 4.26Å; W36-L80 HydrophobicContact CD2-CB 3.75Å; W36-L80 HydrophobicContact CD2-CD2 4.12Å; W36-L80 HydrophobicContact CE3-CB 4.47Å; W36-L80 HydrophobicContact CE3-CD2 4.28Å; W36-L80 HydrophobicContact CG-CB 3.84Å; W36-L80 HydrophobicContact CG-CD1 4.46Å; W36-L80 HydrophobicContact CG-CD2 4.13Å; W36-L80 HydrophobicContact CG-CG 4.37Å; W36-L80 HydrophobicContact CZ2-CB 4.16Å; I48-L80 HydrophobicContact CD1-CD2 3.91Å; I48-L80 HydrophobicContact CG2-CD1 3.96Å; V67-L80 HydrophobicContact CG1-CD1 3.61Å; I69-L80 HydrophobicContact CG1-CD1 3.89Å; L80-Y93 HydrophobicContact CD2-CD1 3.92Å; L80-Y93 HydrophobicContact CD2-CE1 4.05Å
81K98.5Very high97.2Very high110 Ų11048.4 Ų48.448%0.47829%0.288SS..EExtended strand (participates in β ladder)trans-111128.1162.1-68.2-174176.3-1780108.9T17 L18 V67 T68T17-K81 HydrophobicContact CG2-CB 4.38Å; L18-K81 WeakPolarHBondContact O-CA 3.27Å; V67-K81 WeakPolarHBondContact CA-O 3.06Å; T68-K81 PolarHBondContact N-O 2.87Å; T68-K81 PolarHBondContact O-N 2.89Å
82L98.3Very high97.3Very high2 Ų248.2 Ų48.21%0.0129%0.287CS..EExtended strand (participates in β ladder)trans-122.1111.1173.6178.966.6000108.2T17 L18 R66 V67 V85 D89T17-L82 CarbonylContact C-O 3.47Å; T17-L82 WeakPolarHBondContact CA-O 3.43Å; L18-L82 HydrophobicContact CB-CB 4.34Å; L18-L82 PolarHBondContact N-O 2.81Å; L18-L82 PolarHBondContact O-N 2.75Å; R66-L82 HydrophobicContact CB-CD1 3.82Å; R66-L82 WeakPolarHBondContact O-CA 2.95Å; V67-L82 HydrophobicContact CG2-CD1 3.48Å; V67-L82 VanDerWaalsContact CG2-CD1 3.48Å; L82-V85 HydrophobicContact CB-CG1 4.38Å; L82-V85 HydrophobicContact CD2-CG1 4.07Å; L82-V85 HydrophobicContact CG-CG1 3.98Å; L82-V85 WeakPolarHBondContact O-CG1 3.36Å; L82-D89 HydrophobicContact CD2-CB 3.94Å
83S98.1Very high97.4Very high42 Ų4245.7 Ų45.729%0.29427%0.274SS..  trans-85.1158.5-179.361.20000112.1R66 V85R66-S83 WeakPolarHBondContact CA-OG 3.13Å; R66-S83 PolarHBondContact NH1-O 3.22Å; R66-S83 PolarHBondContact O-N 3.48Å; R66-S83 PolarHBondContact O-OG 3.36Å; S83-V85 VanDerWaalsContact C-N 3.33Å; S83-V85 PolarHBondContact O-N 3.36Å
84S97.1Very high97.6Very high68 Ų6842.4 Ų42.448%0.47626%0.255SS..SBendtrans50.254.1175.6-560000111.4E16 R66E16-S84 PolarHBondContact O-N 2.89Å; E16-S84 VanDerWaalsContact O-N 3.16Å; R66-S84 PolarHBondContact NH1-O 2.04Å
85V98.1Very high97.8Very high1 Ų137.4 Ų37.41%0.00622%0.22CC..  trans-65.9148-177-62.70000111.4V12 K13 P14 S15 E16 L18 L82 S83 D89 V121V12-V85 HydrophobicContact CB-CG2 4.49Å; V12-V85 HydrophobicContact CG1-CG2 3.77Å; K13-V85 VanDerWaalsContact O-CG2 3.31Å; K13-V85 WeakPolarHBondContact O-CG2 3.35Å; P14-V85 CarbonylContact C-O 3.58Å; P14-V85 WeakPolarHBondContact CA-O 3.39Å; S15-V85 PolarHBondContact N-O 2.79Å; E16-V85 PolarHBondContact O-N 3.04Å; E16-V85 VanDerWaalsContact O-N 3.09Å; L18-V85 HydrophobicContact CB-CG1 3.76Å; L82-V85 HydrophobicContact CB-CG1 4.38Å; L82-V85 HydrophobicContact CD2-CG1 4.07Å; L82-V85 HydrophobicContact CG-CG1 3.98Å; L82-V85 WeakPolarHBondContact O-CG1 3.36Å; S83-V85 VanDerWaalsContact C-N 3.33Å; S83-V85 PolarHBondContact O-N 3.36Å; V85-D89 WeakPolarHBondContact CA-OD2 3.23Å; V85-D89 HydrophobicContact CB-CB 4.41Å; V85-V121 HydrophobicContact CB-CG1 4.23Å; V85-V121 HydrophobicContact CB-CG2 4.11Å; V85-V121 HydrophobicContact CG2-CG1 3.73Å; V85-V121 HydrophobicContact CG2-CG2 4.08Å
86T97.6Very high97.8Very high67 Ų6731.3 Ų31.341%0.41119%0.194SC..  trans-125.1167.8178.365.40000109.7A88 D89 V121T86-A88 PolarHBondContact O-N 2.88Å; T86-A88 PolarHBondContact OG1-N 2.85Å; T86-D89 PolarHBondContact N-OD2 2.89Å; T86-D89 WeakPolarHBondContact O-CB 3.38Å; T86-D89 PolarHBondContact O-N 2.81Å; T86-D89 PolarHBondContact OG1-OD2 2.88Å; T86-V121 VanDerWaalsContact O-CB 3.32Å; T86-V121 WeakPolarHBondContact O-CB 3.19Å; T86-V121 WeakPolarHBondContact O-CG1 3.35Å
87A97.4Very high97.7Very high72 Ų7230.9 Ų30.960%0.59519%0.189SC*.G310 helixtrans-53.3-29.2174.100000112.9D89 T90A87-D89 PolarHBondContact O-N 2.8Å; A87-T90 VanDerWaalsContact O-CB 3.26Å; A87-T90 WeakPolarHBondContact O-CB 3.41Å; A87-T90 PolarHBondContact O-N 3.02Å; A87-T90 VanDerWaalsContact O-N 3.14Å; A87-T90 PolarHBondContact O-OG1 3.23Å
88A96.3Very high97Very high72 Ų7231.4 Ų31.460%0.59519%0.19SC*.G310 helixtrans-68.6-16.1176.700000114T86 T90T86-A88 PolarHBondContact O-N 2.88Å; T86-A88 PolarHBondContact OG1-N 2.85Å; A88-T90 VanDerWaalsContact C-N 3.29Å
89D97.8Very high95.6Very high2 Ų237 Ų371%0.01121%0.212CC..G310 helixtrans-87.32175.1-56.6-57000112.1R38 R66 L82 V85 T86 A87 A91 Y93 V121R38-D89 IonicContact CZ-OD1 2.81Å; R38-D89 IonicContact NH1-OD1 3.22Å; R38-D89 PolarHBondContact NH1-OD1 2.94Å; R38-D89 IonicContact NH2-OD1 3.57Å; R66-D89 IonicContact CZ-OD1 3.55Å; R66-D89 IonicContact CZ-OD2 2.84Å; R66-D89 IonicContact NH1-OD1 3.66Å; R66-D89 IonicContact NH1-OD2 3.41Å; R66-D89 PolarHBondContact NH1-OD2 2.84Å; R66-D89 IonicContact NH2-OD1 3.75Å; R66-D89 PolarHBondContact NH2-OD1 2.86Å; R66-D89 IonicContact NH2-OD2 2.75Å; L82-D89 HydrophobicContact CD2-CB 3.94Å; V85-D89 WeakPolarHBondContact CA-OD2 3.23Å; V85-D89 HydrophobicContact CB-CB 4.41Å; T86-D89 PolarHBondContact N-OD2 2.89Å; T86-D89 WeakPolarHBondContact O-CB 3.38Å; T86-D89 PolarHBondContact O-N 2.81Å; T86-D89 PolarHBondContact OG1-OD2 2.88Å; A87-D89 PolarHBondContact O-N 2.8Å; D89-A91 PolarHBondContact O-N 3.1Å; D89-Y93 WeakPolarHBondContact O-CE2 3.32Å; D89-Y93 PolarHBondContact O-OH 3.25Å; D89-V121 HydrophobicContact CB-CG2 4.34Å
90T98.5Very high93.8Very high32 Ų3237.7 Ų37.720%0.19622%0.222CC..  trans-65.1119.1168.6-63.10000110P41 A87 A88 V119 V121P41-T90 VanDerWaalsContact CD-O 3.29Å; P41-T90 WeakPolarHBondContact CD-O 3.21Å; P41-T90 HydrophobicContact CG-CG2 4.46Å; A87-T90 VanDerWaalsContact O-CB 3.26Å; A87-T90 WeakPolarHBondContact O-CB 3.41Å; A87-T90 PolarHBondContact O-N 3.02Å; A87-T90 VanDerWaalsContact O-N 3.14Å; A87-T90 PolarHBondContact O-OG1 3.23Å; A88-T90 VanDerWaalsContact C-N 3.29Å; T90-V119 WeakPolarHBondContact CA-O 3.14Å; T90-V121 PolarHBondContact OG1-N 2.81Å
91A98.4Very high91.6Very high3 Ų339.5 Ų39.53%0.02524%0.235CC..EExtended strand (participates in β ladder)trans-166.9167.8-175.300000111.5R38 Q39 P40 D89 Y93 V119R38-A91 HydrophobicContact CB-CB 3.87Å; R38-A91 HydrophobicContact CG-CB 4.45Å; Q39-A91 WeakPolarHBondContact O-CA 3.37Å; Q39-A91 VanDerWaalsContact O-CB 3.31Å; Q39-A91 WeakPolarHBondContact O-CB 3.31Å; P40-A91 HydrophobicContact CG-CB 4.41Å; D89-A91 PolarHBondContact O-N 3.1Å; A91-Y93 HydrophobicContact CB-CD2 4.19Å; A91-Y93 HydrophobicContact CB-CE2 3.76Å; A91-Y93 WeakPolarHBondContact O-CD2 3.47Å; A91-V119 PolarHBondContact N-O 3.08Å; A91-V119 VanDerWaalsContact N-O 3.12Å; A91-V119 PolarHBondContact O-N 3.25Å
92V98.7Very high89.3Confident34 Ų3438.4 Ų38.421%0.20626%0.255CS..EExtended strand (participates in β ladder)trans-84.3127.6156.9-170.70000108.3R38 Q39 Y94 T117R38-V92 CarbonylContact C-O 3.46Å; R38-V92 VanDerWaalsContact CA-O 3.24Å; R38-V92 WeakPolarHBondContact CA-O 3.5Å; Q39-V92 PolarHBondContact N-O 2.87Å; Q39-V92 PolarHBondContact O-N 3.18Å; V92-Y94 HydrophobicContact CB-CE2 3.82Å; V92-Y94 HydrophobicContact CG1-CD2 4.44Å; V92-Y94 HydrophobicContact CG1-CE1 3.81Å; V92-Y94 HydrophobicContact CG1-CE2 3.72Å; V92-Y94 WeakPolarHBondContact CG1-OH 3.46Å; V92-T117 CarbonylContact C-O 3.49Å; V92-T117 WeakPolarHBondContact CA-O 3.45Å
93Y98.7Very high86.8Confident0 Ų043.9 Ų43.90%028%0.283CS..EExtended strand (participates in β ladder)trans-105.1127.1-179.9-73.6-101000109.9L18 L20 I37 R38 I48 L80 D89 A91 G116 T117 V119L18-Y93 HydrophobicContact CD2-CE1 4.16Å; L18-Y93 HydrophobicContact CD2-CE2 4.07Å; L20-Y93 VanDerWaalsContact CD1-CB 3.41Å; L20-Y93 HydrophobicContact CD1-CD1 3.67Å; L20-Y93 HydrophobicContact CD1-CD2 4.1Å; L20-Y93 HydrophobicContact CD1-CE1 4.47Å; L20-Y93 HydrophobicContact CD1-CG 3.46Å; L20-Y93 VanDerWaalsContact CD1-CG 3.46Å; I37-Y93 CarbonylContact O-C 3.59Å; I37-Y93 WeakPolarHBondContact O-CA 3.37Å; R38-Y93 HydrophobicContact CB-CD1 3.84Å; R38-Y93 HydrophobicContact CB-CE1 3.82Å; R38-Y93 HydrophobicContact CB-CG 4.24Å; R38-Y93 HydrophobicContact CG-CE1 4.48Å; I48-Y93 HydrophobicContact CD1-CD1 3.86Å; I48-Y93 HydrophobicContact CD1-CE1 3.77Å; L80-Y93 HydrophobicContact CD2-CD1 3.92Å; L80-Y93 HydrophobicContact CD2-CE1 4.05Å; D89-Y93 WeakPolarHBondContact O-CE2 3.32Å; D89-Y93 PolarHBondContact O-OH 3.25Å; A91-Y93 HydrophobicContact CB-CD2 4.19Å; A91-Y93 HydrophobicContact CB-CE2 3.76Å; A91-Y93 WeakPolarHBondContact O-CD2 3.47Å; Y93-G116 CarbonylContact O-C 3.42Å; Y93-G116 WeakPolarHBondContact O-CA 3.38Å; Y93-T117 PolarHBondContact N-O 2.95Å; Y93-T117 PolarHBondContact O-N 3.39Å; Y93-V119 HydrophobicContact CD2-CB 3.95Å; Y93-V119 HydrophobicContact CD2-CG2 3.71Å; Y93-V119 HydrophobicContact CE2-CB 3.83Å; Y93-V119 HydrophobicContact CE2-CG2 4.03Å
94Y98.6Very high84.5Confident43 Ų4346.4 Ų46.417%0.16930%0.298CS..EExtended strand (participates in β ladder)trans-115.1140.5-178.7-55.8-86.8000110.5E6 W36 I37 Q39 L45 V92 W113 Q115 G116E6-Y94 VanDerWaalsContact OE1-CA 3.29Å; E6-Y94 WeakPolarHBondContact OE1-CA 3.26Å; W36-Y94 WeakPolarHBondContact CA-O 3.23Å; I37-Y94 PolarHBondContact N-O 3.12Å; I37-Y94 PolarHBondContact O-N 2.97Å; Q39-Y94 HydrophobicContact CB-CE2 3.94Å; L45-Y94 HydrophobicContact CD2-CD2 4.07Å; L45-Y94 HydrophobicContact CD2-CE2 4.02Å; V92-Y94 HydrophobicContact CB-CE2 3.82Å; V92-Y94 HydrophobicContact CG1-CD2 4.44Å; V92-Y94 HydrophobicContact CG1-CE1 3.81Å; V92-Y94 HydrophobicContact CG1-CE2 3.72Å; V92-Y94 WeakPolarHBondContact CG1-OH 3.46Å; Y94-W113 HydrophobicContact CG-CE3 4.26Å; Y94-W113 HydrophobicContact CG-CZ3 4.27Å; Y94-Q115 WeakPolarHBondContact CE1-O 3.44Å; Y94-G116 VanDerWaalsContact CD1-CA 3.47Å
95C97.3Very high82.3Confident0 Ų051.2 Ų51.20%031%0.307CS..EExtended strand (participates in β ladder)trans-94142.8157.747.60000111.2L4 E6 C22 S35 W36 F78 W113 G114L4-C95 HydrophobicContact CD1-CB 4.37Å; E6-C95 HydrophobicContact CG-CB 4.32Å; E6-C95 WeakPolarHBondContact CG-SG 3.29Å; E6-C95 PolarHBondContact OE1-N 2.75Å; E6-C95 PolarHBondContact OE1-SG 3.02Å; C22-C95 HydrophobicContact CB-CB 3.44Å; C22-C95 VanDerWaalsContact CB-CB 3.44Å; C22-C95 WeakPolarHBondContact CB-SG 3.18Å; C22-C95 WeakPolarHBondContact SG-CB 3.46Å; C22-C95 CovalentContact SG-SG 2.04Å; C22-C95 PolarHBondContact SG-SG 3.02Å; S35-C95 WeakPolarHBondContact O-CA 3.31Å; W36-C95 HydrophobicContact CZ3-CB 4.5Å; F78-C95 HydrophobicContact CE1-CB 4.2Å; F78-C95 HydrophobicContact CE2-CB 4.02Å; F78-C95 HydrophobicContact CZ-CB 3.38Å; C95-W113 WeakPolarHBondContact O-CA 3.21Å; C95-G114 PolarHBondContact O-N 3.16Å
96A96.4Very high79.8Confident0 Ų060 Ų600%034%0.342CS..EExtended strand (participates in β ladder)trans-141.2148.5174.900000112.1S35 I37 M110 V112 W113S35-A96 PolarHBondContact N-O 2.8Å; S35-A96 PolarHBondContact O-N 3.04Å; I37-A96 HydrophobicContact CD1-CB 3.59Å; A96-M110 HydrophobicContact CB-CB 4.14Å; A96-M110 HydrophobicContact CB-CG 4.14Å; A96-M110 HydrophobicContact CB-SD 3.61Å; A96-V112 CarbonylContact C-O 3.58Å; A96-V112 WeakPolarHBondContact CA-O 3.38Å; A96-W113 HydrophobicContact CB-CD2 3.77Å; A96-W113 HydrophobicContact CB-CE3 4.04Å; A96-W113 HydrophobicContact CB-CG 4.16Å; A96-W113 HydrophobicContact CB-CH2 4.46Å; A96-W113 HydrophobicContact CB-CZ2 4.23Å; A96-W113 HydrophobicContact CB-CZ3 4.38Å
97R93.3Very high77.4Confident30 Ų3066.6 Ų66.611%0.11336%0.361CS..EExtended strand (participates in β ladder)trans-80.9134.5168.8-171.8171.672.4174.2-1.5109.2Y32 W34 M110 D111 V112Y32-R97 HydrophobicContact CD1-CG 4.15Å; Y32-R97 HydrophobicContact CD2-CG 4.43Å; Y32-R97 HydrophobicContact CG-CG 3.86Å; W34-R97 HydrophobicContact CE3-CB 4.02Å; W34-R97 HydrophobicContact CE3-CG 4.24Å; W34-R97 HydrophobicContact CH2-CB 4.32Å; W34-R97 HydrophobicContact CH2-CG 4.03Å; W34-R97 HydrophobicContact CZ3-CB 3.6Å; W34-R97 HydrophobicContact CZ3-CG 3.77Å; R97-M110 WeakPolarHBondContact O-CA 3.21Å; R97-M110 WeakPolarHBondContact O-CB 3.13Å; R97-D111 IonicContact CZ-OD1 3.36Å; R97-D111 IonicContact CZ-OD2 2.63Å; R97-D111 IonicContact NE-OD1 3.81Å; R97-D111 PolarHBondContact NE-OD1 3.43Å; R97-D111 IonicContact NE-OD2 3.49Å; R97-D111 PolarHBondContact NE-OD2 2.86Å; R97-D111 VanDerWaalsContact NH2-CG 3.26Å; R97-D111 IonicContact NH2-OD1 2.8Å; R97-D111 PolarHBondContact NH2-OD1 3.03Å; R97-D111 IonicContact NH2-OD2 3.48Å; R97-D111 PolarHBondContact NH2-OD2 3.38Å; R97-V112 HydrophobicContact CB-CB 3.88Å; R97-V112 HydrophobicContact CB-CG2 4.4Å; R97-V112 PolarHBondContact N-O 2.87Å
98Y83.5Confident75.5Confident55 Ų5570.1 Ų70.122%0.21636%0.36CS..EExtended strand (participates in β ladder)trans-115.4122.4172.4177.2-99.5000109.9Y33 Y108 M110Y33-Y98 HydrophobicContact CD2-CD1 4.23Å; Y33-Y98 HydrophobicContact CG-CD1 4.17Å; Y33-Y98 PolarHBondContact N-O 2.85Å; Y33-Y98 PolarHBondContact O-N 3.13Å; Y98-Y108 WeakPolarHBondContact OH-CD1 3.36Å; Y98-M110 HydrophobicContact CD2-CG 4.33Å
99Y68.4Low73.9Confident119 Ų11968.3 Ų68.347%0.46735%0.348SS..  trans-94103.8175.2-163.6-98.7000109.9Y32 S101Y32-Y99 AromaticContact CD1-CD2 3.73Å; Y32-Y99 HydrophobicContact CD1-CD2 3.73Å; Y32-Y99 HydrophobicContact CD1-CE2 4.21Å; Y32-Y99 AromaticContact CE1-CD2 3.55Å; Y32-Y99 HydrophobicContact CE1-CD2 3.55Å; Y32-Y99 AromaticContact CE1-CE2 3.71Å; Y32-Y99 HydrophobicContact CE1-CE2 3.71Å; Y99-S101 PolarHBondContact O-N 3.28Å
100G60.3Low73.1Confident38 Ų3870.8 Ų70.839%0.39236%0.36SS..  trans-85.986.2170.200000109.8G102G100-G102 PolarHBondContact O-N 2.78Å
101S52.6Low72.4Confident39 Ų3973.5 Ų73.527%0.27337%0.373SS..  trans-70.4126.7171.387.60000108.9Y99 I103Y99-S101 PolarHBondContact O-N 3.28Å; S101-I103 PolarHBondContact O-N 3.5Å
102G49.5Very low72.1Confident88 Ų8874.4 Ų74.491%0.90738%0.378SS*.SBendtrans-72.230.3179.900000114.5G100G100-G102 PolarHBondContact O-N 2.78Å
103I46.8Very low72Confident116 Ų11677.4 Ų77.460%0.59539%0.386SS*.SBendtrans-115.1138.2176.3-64.9-172.4000108.1S101 Y105S101-I103 PolarHBondContact O-N 3.5Å; I103-Y105 PolarHBondContact O-N 3.02Å
104P48.9Very low71.9Confident95 Ų9577.8 Ų77.862%0.61739%0.39SS*.SBendtrans-77.1-1-159.811.50.8000114.2
105Y50.9Low71.9Confident169 Ų16984 Ų8466%0.66342%0.42SS*.SBendtrans-149.3120.9-170.2-73.2-80.5000111.2I103I103-Y105 PolarHBondContact O-N 3.02Å
106Y46.6Very low71.9Confident185 Ų18585.1 Ų85.173%0.72543%0.431SS*.SBendtrans92.6108.5163.1-53.6-75.5000117.9
107Y47.6Very low72Confident206 Ų20686.3 Ų86.381%0.80844%0.439SS*.  trans89.374167.2-55.9-77.9000118.5G109Y107-G109 PolarHBondContact O-N 3.09Å
108Y55.9Low72.2Confident147 Ų14789 Ų8958%0.57646%0.458SS*.  trans-78.283.1157.8-57.4-67.5000109.6Y98Y98-Y108 WeakPolarHBondContact OH-CD1 3.36Å
109G63.8Low72.9Confident33 Ų3386.3 Ų86.334%0.3445%0.448SS..  trans-107.5140.8-176.600000112.7Y107Y107-G109 PolarHBondContact O-N 3.09Å
110M79.7Confident74.4Confident55 Ų5583.3 Ų83.327%0.27144%0.442SS..EExtended strand (participates in β ladder)trans-90.5110.1157.8-68.7178.8-176.600108.2I37 A96 R97 Y98 W113I37-M110 HydrophobicContact CD1-CE 3.97Å; I37-M110 HydrophobicContact CD1-SD 3.69Å; I37-M110 HydrophobicContact CG1-CE 4.24Å; I37-M110 HydrophobicContact CG1-SD 4.21Å; A96-M110 HydrophobicContact CB-CB 4.14Å; A96-M110 HydrophobicContact CB-CG 4.14Å; A96-M110 HydrophobicContact CB-SD 3.61Å; R97-M110 WeakPolarHBondContact O-CA 3.21Å; R97-M110 WeakPolarHBondContact O-CB 3.13Å; Y98-M110 HydrophobicContact CD2-CG 4.33Å; M110-W113 HydrophobicContact CB-CZ2 3.8Å; M110-W113 HydrophobicContact CG-CZ2 4.28Å; M110-W113 PolarHBondContact O-NE1 3.13Å; M110-W113 VanDerWaalsContact O-NE1 3.16Å; M110-W113 HydrophobicContact SD-CH2 3.87Å; M110-W113 HydrophobicContact SD-CZ2 3.46Å; M110-W113 WeakPolarHBondContact SD-CZ2 3.46Å
111D85.3Confident76.2Confident88 Ų8881.7 Ų81.747%0.47143%0.425SS..EExtended strand (participates in β ladder)trans-103.1-15.1-168.663.2-12.9000113.9R97R97-D111 IonicContact CZ-OD1 3.36Å; R97-D111 IonicContact CZ-OD2 2.63Å; R97-D111 IonicContact NE-OD1 3.81Å; R97-D111 PolarHBondContact NE-OD1 3.43Å; R97-D111 IonicContact NE-OD2 3.49Å; R97-D111 PolarHBondContact NE-OD2 2.86Å; R97-D111 VanDerWaalsContact NH2-CG 3.26Å; R97-D111 IonicContact NH2-OD1 2.8Å; R97-D111 PolarHBondContact NH2-OD1 3.03Å; R97-D111 IonicContact NH2-OD2 3.48Å; R97-D111 PolarHBondContact NH2-OD2 3.38Å
112V91.9Very high78.3Confident23 Ų2382.2 Ų82.214%0.13943%0.428CS..EExtended strand (participates in β ladder)trans-130.4128.4174.9-175.40000109V2 L4 A96 R97V2-V112 HydrophobicContact CB-CG1 4.45Å; V2-V112 HydrophobicContact CB-CG2 4.41Å; V2-V112 HydrophobicContact CG1-CG1 4.19Å; L4-V112 HydrophobicContact CD1-CG1 4.05Å; L4-V112 HydrophobicContact CG-CG1 3.91Å; A96-V112 CarbonylContact C-O 3.58Å; A96-V112 WeakPolarHBondContact CA-O 3.38Å; R97-V112 HydrophobicContact CB-CB 3.88Å; R97-V112 HydrophobicContact CB-CG2 4.4Å; R97-V112 PolarHBondContact N-O 2.87Å
113W96.1Very high80.2Confident97 Ų9785.2 Ų85.237%0.36744%0.435SS..EExtended strand (participates in β ladder)trans-126.2144.9-180-71.672.6000110.4I37 L45 Y94 C95 A96 M110I37-W113 HydrophobicContact CB-CH2 4.37Å; I37-W113 HydrophobicContact CB-CZ3 4.17Å; I37-W113 HydrophobicContact CD1-CH2 3.96Å; I37-W113 HydrophobicContact CD1-CZ3 3.95Å; I37-W113 HydrophobicContact CG1-CH2 4.03Å; I37-W113 HydrophobicContact CG1-CZ3 4.2Å; I37-W113 HydrophobicContact CG2-CH2 4.31Å; I37-W113 HydrophobicContact CG2-CZ3 4.3Å; L45-W113 HydrophobicContact CD1-CH2 4.15Å; Y94-W113 HydrophobicContact CG-CE3 4.26Å; Y94-W113 HydrophobicContact CG-CZ3 4.27Å; C95-W113 WeakPolarHBondContact O-CA 3.21Å; A96-W113 HydrophobicContact CB-CD2 3.77Å; A96-W113 HydrophobicContact CB-CE3 4.04Å; A96-W113 HydrophobicContact CB-CG 4.16Å; A96-W113 HydrophobicContact CB-CH2 4.46Å; A96-W113 HydrophobicContact CB-CZ2 4.23Å; A96-W113 HydrophobicContact CB-CZ3 4.38Å; M110-W113 HydrophobicContact CB-CZ2 3.8Å; M110-W113 HydrophobicContact CG-CZ2 4.28Å; M110-W113 PolarHBondContact O-NE1 3.13Å; M110-W113 VanDerWaalsContact O-NE1 3.16Å; M110-W113 HydrophobicContact SD-CH2 3.87Å; M110-W113 HydrophobicContact SD-CZ2 3.46Å; M110-W113 WeakPolarHBondContact SD-CZ2 3.46Å
114G97.3Very high81.8Confident7 Ų783.7 Ų83.77%0.07243%0.427CS..  trans-76.6167.6163.300000111.3L4 E6 C95 G116L4-G114 WeakPolarHBondContact O-CA 3.33Å; E6-G114 VanDerWaalsContact OE1-CA 3.26Å; E6-G114 WeakPolarHBondContact OE1-CA 3.41Å; E6-G114 WeakPolarHBondContact OE2-CA 2.93Å; C95-G114 PolarHBondContact O-N 3.16Å; G114-G116 PolarHBondContact O-N 2.78Å
115Q97.2Very high83.6Confident175 Ų17583.1 Ų83.182%0.81842%0.417SS*.  trans-72.5-16.8178.5-64.9-61.5-53.300112E6 Y94E6-Q115 PolarHBondContact OE2-N 3.43Å; Y94-Q115 WeakPolarHBondContact CE1-O 3.44Å
116G97.9Very high85.4Confident22 Ų2278.3 Ų78.323%0.22740%0.403CS..  trans88.2155.7-177.500000112.9E6 Y93 Y94 G114E6-G116 PolarHBondContact OE1-N 3.07Å; E6-G116 PolarHBondContact OE2-N 3.42Å; E6-G116 VanDerWaalsContact OE2-N 3.1Å; Y93-G116 CarbonylContact O-C 3.42Å; Y93-G116 WeakPolarHBondContact O-CA 3.38Å; Y94-G116 VanDerWaalsContact CD1-CA 3.47Å; G114-G116 PolarHBondContact O-N 2.78Å
117T98.4Very high87.6Confident25 Ų2572 Ų7215%0.15339%0.385CS..EExtended strand (participates in β ladder)trans-123.4132.9173.2-174.50000110.3E6 L20 V92 Y93E6-T117 HydrophobicContact CB-CG2 3.77Å; E6-T117 HydrophobicContact CG-CG2 4.48Å; L20-T117 HydrophobicContact CD1-CG2 4.09Å; L20-T117 HydrophobicContact CD2-CG2 3.91Å; V92-T117 CarbonylContact C-O 3.49Å; V92-T117 WeakPolarHBondContact CA-O 3.45Å; Y93-T117 PolarHBondContact N-O 2.95Å; Y93-T117 PolarHBondContact O-N 3.39Å
118T98.4Very high90.1Very high86 Ų8663.6 Ų63.653%0.52836%0.358SS..EExtended strand (participates in β ladder)trans-83.9126.7178.5-59.30000109.4
119V98.5Very high92.4Very high0 Ų058.1 Ų58.10%034%0.344CS..EExtended strand (participates in β ladder)trans-119.9126.6173.8-1780000108.8V12 L18 L20 T90 A91 Y93V12-V119 HydrophobicContact CG2-CG1 4.26Å; L18-V119 HydrophobicContact CD1-CG1 3.78Å; L18-V119 HydrophobicContact CD1-CG2 4Å; L18-V119 HydrophobicContact CD2-CB 4.44Å; L18-V119 HydrophobicContact CD2-CG1 3.98Å; L18-V119 HydrophobicContact CD2-CG2 4.24Å; L18-V119 HydrophobicContact CG-CG1 4.48Å; L20-V119 HydrophobicContact CD1-CG2 4.34Å; L20-V119 HydrophobicContact CD2-CG2 3.99Å; T90-V119 WeakPolarHBondContact CA-O 3.14Å; A91-V119 PolarHBondContact N-O 3.08Å; A91-V119 VanDerWaalsContact N-O 3.12Å; A91-V119 PolarHBondContact O-N 3.25Å; Y93-V119 HydrophobicContact CD2-CB 3.95Å; Y93-V119 HydrophobicContact CD2-CG2 3.71Å; Y93-V119 HydrophobicContact CE2-CB 3.83Å; Y93-V119 HydrophobicContact CE2-CG2 4.03Å
120T98.4Very high94.5Very high55 Ų5559.9 Ų59.934%0.33734%0.344SS..EExtended strand (participates in β ladder)trans-105.1133.1172.3-55.30000109.7G10 L11 V12G10-T120 PolarHBondContact O-N 3.41Å; L11-T120 WeakPolarHBondContact CA-O 3.24Å; L11-T120 HydrophobicContact CD1-CG2 4.09Å; V12-T120 PolarHBondContact N-O 2.97Å
121V98.2Very high95.6Very high5 Ų560.2 Ų60.23%0.0335%0.349CS..EExtended strand (participates in β ladder)trans-109.8102.8172.3-174.50000109.3V12 P14 V85 T86 D89 T90V12-V121 VanDerWaalsContact O-CA 3.27Å; V12-V121 WeakPolarHBondContact O-CA 3.43Å; P14-V121 HydrophobicContact CG-CG1 4.27Å; V85-V121 HydrophobicContact CB-CG1 4.23Å; V85-V121 HydrophobicContact CB-CG2 4.11Å; V85-V121 HydrophobicContact CG2-CG1 3.73Å; V85-V121 HydrophobicContact CG2-CG2 4.08Å; T86-V121 VanDerWaalsContact O-CB 3.32Å; T86-V121 WeakPolarHBondContact O-CB 3.19Å; T86-V121 WeakPolarHBondContact O-CG1 3.35Å; D89-V121 HydrophobicContact CB-CG2 4.34Å; T90-V121 PolarHBondContact OG1-N 2.81Å
122S96.4Very high96.5Very high49 Ų4957.9 Ų57.934%0.34334%0.339SS..  trans-150.4158-179.465.20000111.7L11 V12L11-S122 VanDerWaalsContact CD1-OG 3.25Å; L11-S122 WeakPolarHBondContact CD1-OG 3.4Å; V12-S122 PolarHBondContact O-N 2.59Å
123S88.9Confident96.9Very high151 Ų15161.1 Ų61.1100%1.05636%0.357SS*.  trans-77.50176.657.30000112.7

Retrieved 123 of 123 residues in 188.6 ms (Link to these results)

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