A0A3B3UEC8_9TELE Loading...

Kelch domain containing 3

AlphaFold DB , UniProt , Accession A0A3B3UEC8, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 382 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
1M81.9Confident95Very high153 Ų15334.5 Ų34.575%0.75417%0.166SC*.  0129.60-172.5178.3-75.300107.9R3 K284 P336M1-R3 PolarHBondContact O-N 3.44Å; M1-K284 HydrophobicContact CG-CD 4.29Å; M1-K284 HydrophobicContact SD-CD 3.46Å; M1-K284 WeakPolarHBondContact SD-CD 3.13Å; M1-K284 WeakPolarHBondContact SD-CE 3.34Å; M1-K284 HydrophobicContact SD-CG 3.96Å; M1-K284 PolarHBondContact SD-NZ 3.31Å; M1-P336 WeakPolarHBondContact O-CG 3.33Å
2L93.8Very high95Very high25 Ų2531.9 Ų31.913%0.13115%0.154CC..  trans-46.4130.8178.8173.875.2000111.9L268 V281 P283 K284 L332 D333 F334L2-L268 HydrophobicContact CD2-CD2 4.15Å; L2-V281 HydrophobicContact CD2-CG1 3.35Å; L2-P283 HydrophobicContact CD2-CB 4.36Å; L2-P283 HydrophobicContact CD2-CG 4.03Å; L2-P283 HydrophobicContact CG-CB 4.26Å; L2-P283 HydrophobicContact CG-CG 4.42Å; L2-K284 PolarHBondContact O-N 3.1Å; L2-K284 VanDerWaalsContact O-N 3.1Å; L2-L332 HydrophobicContact CD1-CD1 3.71Å; L2-L332 HydrophobicContact CD1-CD2 3.92Å; L2-L332 HydrophobicContact CD1-CG 3.6Å; L2-L332 HydrophobicContact CG-CD1 3.95Å; L2-L332 HydrophobicContact CG-CG 4.36Å; L2-D333 WeakPolarHBondContact CA-O 3.28Å; L2-D333 WeakPolarHBondContact CD1-O 3.43Å; L2-F334 HydrophobicContact CD1-CB 4.09Å; L2-F334 HydrophobicContact CD1-CD1 3.58Å; L2-F334 HydrophobicContact CD1-CD2 3.8Å; L2-F334 HydrophobicContact CD1-CE1 3.84Å; L2-F334 HydrophobicContact CD1-CE2 4.03Å; L2-F334 HydrophobicContact CD1-CG 3.55Å; L2-F334 HydrophobicContact CD1-CZ 4.06Å; L2-F334 HydrophobicContact CD2-CE1 4.47Å
3R96.4Very high94.9Very high41 Ų4134.6 Ų34.616%0.15516%0.161CC..EExtended strand (participates in β ladder)trans-155.4151.5179.976.7-176.4-60-176.54114.3M1 S5 K284 D333 P336 I344M1-R3 PolarHBondContact O-N 3.44Å; R3-S5 PolarHBondContact O-N 2.71Å; R3-K284 CarbonylContact C-O 3.55Å; R3-K284 WeakPolarHBondContact CA-O 3.41Å; R3-K284 HydrophobicContact CB-CB 3.78Å; R3-K284 VanDerWaalsContact CB-O 3.3Å; R3-K284 WeakPolarHBondContact CB-O 3.29Å; R3-D333 PolarHBondContact N-O 2.6Å; R3-D333 PolarHBondContact O-N 3.29Å; R3-P336 HydrophobicContact CG-CG 4.15Å; R3-I344 HydrophobicContact CG-CD1 4.47Å
4W97.6Very high94.8Very high23 Ų2333 Ų339%0.08715%0.153CC..EExtended strand (participates in β ladder)trans-66.9121.3161.1-62.2105.3000108.5F254 K284 K286 P288 L305 Y330 L332W4-F254 HydrophobicContact CZ2-CD2 4.42Å; W4-F254 HydrophobicContact CZ2-CE2 4.07Å; W4-K284 PolarHBondContact N-O 3.14Å; W4-K286 WeakPolarHBondContact CB-O 3.5Å; W4-P288 HydrophobicContact CH2-CG 3.92Å; W4-P288 HydrophobicContact CZ2-CG 4.02Å; W4-P288 HydrophobicContact CZ3-CG 4.41Å; W4-L305 HydrophobicContact CH2-CD1 4.08Å; W4-L305 HydrophobicContact CZ3-CB 4.46Å; W4-Y330 HydrophobicContact CE3-CD1 4.37Å; W4-Y330 HydrophobicContact CE3-CG 4.39Å; W4-Y330 VanDerWaalsContact CZ3-CB 3.46Å; W4-Y330 HydrophobicContact CZ3-CG 4.4Å; W4-L332 HydrophobicContact CD2-CB 4.15Å; W4-L332 HydrophobicContact CD2-CD1 3.83Å; W4-L332 HydrophobicContact CE3-CB 3.65Å; W4-L332 HydrophobicContact CE3-CD1 4.22Å; W4-L332 HydrophobicContact CG-CD1 4.15Å; W4-L332 HydrophobicContact CH2-CB 3.91Å; W4-L332 HydrophobicContact CH2-CD2 4.49Å; W4-L332 HydrophobicContact CZ2-CB 4.36Å; W4-L332 HydrophobicContact CZ2-CD1 4.25Å; W4-L332 HydrophobicContact CZ2-CD2 4.44Å; W4-L332 HydrophobicContact CZ3-CB 3.54Å
5S96.8Very high94.8Very high13 Ų1330.8 Ų30.89%0.09114%0.143CC..EExtended strand (participates in β ladder)trans-114.9-26.8-167.162.80000113.5R3 I331 M367R3-S5 PolarHBondContact O-N 2.71Å; S5-I331 PolarHBondContact N-O 2.94Å; S5-I331 PolarHBondContact OG-O 3.34Å; S5-M367 VanDerWaalsContact O-CE 3.31Å; S5-M367 WeakPolarHBondContact O-CE 3.16Å
6V97.3Very high94.9Very high9 Ų930 Ų306%0.05514%0.14CC..EExtended strand (participates in β ladder)trans-139.3139.9179.91780000108.5L8 L54 Y330 I331 M367V6-L8 HydrophobicContact CG1-CD1 3.91Å; V6-L8 HydrophobicContact CG1-CD2 4.49Å; V6-L8 HydrophobicContact CG1-CG 3.71Å; V6-L54 HydrophobicContact CG1-CD1 4.25Å; V6-L54 HydrophobicContact CG2-CD1 4.21Å; V6-Y330 WeakPolarHBondContact O-CA 3.5Å; V6-I331 HydrophobicContact CB-CB 3.92Å; V6-I331 HydrophobicContact CB-CD1 4.07Å; V6-I331 HydrophobicContact CB-CG1 4.01Å; V6-I331 HydrophobicContact CG1-CD1 4.37Å; V6-I331 HydrophobicContact CG2-CB 4.35Å; V6-I331 HydrophobicContact CG2-CD1 4.2Å; V6-I331 PolarHBondContact O-N 3.33Å; V6-M367 HydrophobicContact CG2-CB 4.47Å; V6-M367 HydrophobicContact CG2-CE 3.89Å; V6-M367 HydrophobicContact CG2-CG 3.96Å
7H97.4Very high95.1Very high79 Ų7928.8 Ų28.837%0.36613%0.134SC..EExtended strand (participates in β ladder)trans-134.8123.8166.9174.6-127.2000108.1E9 L329 Y330H7-E9 IonicContact CE1-OE1 2.75Å; H7-E9 PolarHBondContact CE1-OE1 3.01Å; H7-E9 IonicContact NE2-OE1 3.47Å; H7-E9 PolarHBondContact NE2-OE1 3.05Å; H7-L329 CarbonylContact C-O 3.55Å; H7-L329 WeakPolarHBondContact CA-O 3.21Å; H7-Y330 HydrophobicContact CB-CD1 4.15Å; H7-Y330 HydrophobicContact CB-CE1 4.04Å; H7-Y330 AromaticContact CD2-CD1 3.84Å; H7-Y330 AromaticContact CD2-CE1 3.35Å; H7-Y330 WeakPolarHBondContact CD2-CE1 3.23Å; H7-Y330 AromaticContact CD2-CE2 3.55Å; H7-Y330 AromaticContact CD2-CZ 3.16Å; H7-Y330 PolarHBondContact CD2-OH 2.97Å; H7-Y330 AromaticContact CG-CE1 3.72Å; H7-Y330 AromaticContact CG-CZ 3.93Å; H7-Y330 AromaticContact NE2-CE2 3.81Å; H7-Y330 AromaticContact NE2-CZ 3.41Å; H7-Y330 PolarHBondContact NE2-OH 2.84Å
8L97Very high95.2Very high4 Ų427.7 Ų27.72%0.02113%0.131CC..EExtended strand (participates in β ladder)trans-133.1146.1-179.3-67.4174.1000110.1V6 L54 D328 L329 M367V6-L8 HydrophobicContact CG1-CD1 3.91Å; V6-L8 HydrophobicContact CG1-CD2 4.49Å; V6-L8 HydrophobicContact CG1-CG 3.71Å; L8-L54 HydrophobicContact CD1-CB 3.82Å; L8-D328 CarbonylContact O-C 3.59Å; L8-D328 VanDerWaalsContact O-CA 3.25Å; L8-D328 WeakPolarHBondContact O-CA 3.45Å; L8-L329 PolarHBondContact N-O 3.01Å; L8-L329 PolarHBondContact O-N 2.91Å; L8-M367 WeakPolarHBondContact CD2-O 3.43Å
9E96.6Very high95.4Very high31 Ų3127.3 Ų27.315%0.14513%0.132CC..  trans-106.9171.8177.4-70-71.7176.800112.4H7 G11 N370 S371 P376H7-E9 IonicContact CE1-OE1 2.75Å; H7-E9 PolarHBondContact CE1-OE1 3.01Å; H7-E9 IonicContact NE2-OE1 3.47Å; H7-E9 PolarHBondContact NE2-OE1 3.05Å; E9-G11 VanDerWaalsContact C-N 3.3Å; E9-G11 PolarHBondContact O-N 3.44Å; E9-N370 HydrophobicContact CB-CB 4.32Å; E9-N370 PolarHBondContact N-OD1 3.27Å; E9-N370 WeakPolarHBondContact O-CB 3.29Å; E9-S371 PolarHBondContact O-N 3.46Å; E9-P376 HydrophobicContact CB-CB 4.31Å; E9-P376 HydrophobicContact CB-CG 4.45Å
10G93.9Very high95.6Very high0 Ų026.7 Ų26.70%013%0.13CC..SBendtrans71.220.617000000115.1S327 S371 I373 S374G10-S327 PolarHBondContact N-O 3.22Å; G10-S371 CarbonylContact C-O 3.58Å; G10-S371 VanDerWaalsContact CA-O 3.31Å; G10-S371 WeakPolarHBondContact CA-O 3.36Å; G10-S371 CarbonylContact O-C 3.43Å; G10-S371 VanDerWaalsContact O-C 3.26Å; G10-S371 VanDerWaalsContact O-CB 3.26Å; G10-S371 WeakPolarHBondContact O-CB 3.34Å; G10-I373 WeakPolarHBondContact O-CB 3.36Å; G10-I373 PolarHBondContact O-N 2.84Å; G10-S374 WeakPolarHBondContact CA-O 3.4Å; G10-S374 PolarHBondContact O-N 3.06Å
11G96.1Very high95.7Very high2 Ų226.7 Ų26.72%0.02114%0.135CC..SBendtrans-70.9-169.3164.400000112.4E9 R13 S327 S374E9-G11 VanDerWaalsContact C-N 3.3Å; E9-G11 PolarHBondContact O-N 3.44Å; G11-R13 PolarHBondContact O-N 3.33Å; G11-S327 WeakPolarHBondContact CA-O 3.48Å; G11-S327 PolarHBondContact N-O 3.42Å; G11-S327 WeakPolarHBondContact O-CB 3.42Å; G11-S374 VanDerWaalsContact O-CB 3.29Å; G11-S374 WeakPolarHBondContact O-CB 3.46Å; G11-S374 PolarHBondContact O-OG 2.63Å
12P95Very high96.4Very high3 Ų320.7 Ų20.72%0.01911%0.107CC..  trans-66.9118.7177.927.6-32.9000110.9R14 H47 W56 I373P12-R14 HydrophobicContact CB-CG 4.1Å; P12-R14 PolarHBondContact O-N 2.71Å; P12-R14 VanDerWaalsContact O-N 3.1Å; P12-H47 HydrophobicContact CB-CB 4.31Å; P12-H47 HydrophobicContact CG-CB 4.11Å; P12-W56 VanDerWaalsContact CD-CD2 3.44Å; P12-W56 VanDerWaalsContact CD-CE2 3.45Å; P12-W56 HydrophobicContact CG-CD2 4.1Å; P12-W56 HydrophobicContact CG-CE3 3.99Å; P12-W56 HydrophobicContact CG-CH2 4Å; P12-W56 HydrophobicContact CG-CZ2 4.08Å; P12-W56 HydrophobicContact CG-CZ3 3.95Å; P12-I373 HydrophobicContact CB-CG2 4.32Å
13R94.5Very high96.6Very high67 Ų6722.9 Ų22.925%0.25314%0.135SC..  trans-7594.4172.6-170-177.9-66.2-171.4-0.4110.1G11 C33 D325 H326 S374 R375G11-R13 PolarHBondContact O-N 3.33Å; R13-C33 WeakPolarHBondContact CD-SG 3.31Å; R13-D325 HydrophobicContact CG-CB 3.74Å; R13-H326 WeakPolarHBondContact CA-O 3.41Å; R13-S374 PolarHBondContact N-OG 2.9Å; R13-R375 PolarHBondContact NH2-O 3.42Å
14R92.8Very high96.6Very high12 Ų1224.9 Ų24.95%0.04515%0.146CC..  trans-142.5139.6-173.9-61-65.5177.5-11313.2112.7P12 H17 G30 Y32 E36 D45 G307 G308P12-R14 HydrophobicContact CB-CG 4.1Å; P12-R14 PolarHBondContact O-N 2.71Å; P12-R14 VanDerWaalsContact O-N 3.1Å; R14-H17 HydrophobicContact CB-CB 4.17Å; R14-H17 PolarHBondContact O-CE1 3.42Å; R14-H17 PolarHBondContact O-ND1 2.95Å; R14-H17 VanDerWaalsContact O-ND1 3.15Å; R14-G30 WeakPolarHBondContact CD-O 3.32Å; R14-Y32 CarbonylContact C-O 3.58Å; R14-Y32 WeakPolarHBondContact CA-O 2.93Å; R14-E36 IonicContact CZ-OE1 3.26Å; R14-E36 IonicContact NH1-OE1 2.81Å; R14-E36 PolarHBondContact NH1-OE1 3.28Å; R14-E36 VanDerWaalsContact NH1-OE1 3.08Å; R14-E36 IonicContact NH1-OE2 2.73Å; R14-E36 IonicContact NH2-OE1 3.95Å; R14-D45 IonicContact CZ-OD2 3.45Å; R14-D45 IonicContact NH2-OD2 3.34Å; R14-D45 PolarHBondContact NH2-OD2 3.47Å; R14-G307 WeakPolarHBondContact O-CA 3.34Å; R14-G308 PolarHBondContact O-N 2.94Å
15V95.1Very high96.6Very high0 Ų027 Ų270%016%0.156CC..BIsolated β-bridgetrans-120.9137.1-178.9-172.80000109.6H17 G31 Y32 R293 T309 D325V15-H17 PolarHBondContact O-N 2.88Å; V15-H17 VanDerWaalsContact O-N 3.12Å; V15-G31 CarbonylContact O-C 3.58Å; V15-G31 WeakPolarHBondContact O-CA 3.44Å; V15-Y32 HydrophobicContact CB-CD1 4.07Å; V15-Y32 HydrophobicContact CB-CD2 4.15Å; V15-Y32 HydrophobicContact CB-CE1 3.76Å; V15-Y32 HydrophobicContact CB-CE2 3.83Å; V15-Y32 HydrophobicContact CB-CG 4.26Å; V15-Y32 HydrophobicContact CG1-CD1 4.36Å; V15-Y32 HydrophobicContact CG1-CE1 3.57Å; V15-Y32 HydrophobicContact CG1-CE2 4.05Å; V15-Y32 WeakPolarHBondContact CG1-OH 3.39Å; V15-Y32 HydrophobicContact CG2-CD2 4.5Å; V15-Y32 HydrophobicContact CG2-CE2 4.13Å; V15-Y32 PolarHBondContact N-O 3.31Å; V15-Y32 PolarHBondContact O-N 3.13Å; V15-R293 HydrophobicContact CG1-CB 3.64Å; V15-R293 HydrophobicContact CG1-CG 4.33Å; V15-T309 HydrophobicContact CB-CG2 4.1Å; V15-T309 HydrophobicContact CG1-CG2 3.59Å; V15-T309 HydrophobicContact CG2-CG2 3.33Å; V15-D325 HydrophobicContact CG2-CB 4.03Å; V15-D325 VanDerWaalsContact CG2-CG 3.49Å
16N96.4Very high96.7Very high18 Ų1826.4 Ų26.410%0.09615%0.152CC..SBendtrans56.632.8175.6-16028.3000112.7Y32 Y78 G79 R293N16-Y32 HydrophobicContact CB-CD1 4.26Å; N16-Y32 HydrophobicContact CB-CE1 3.99Å; N16-Y78 WeakPolarHBondContact O-CA 3.39Å; N16-G79 WeakPolarHBondContact ND2-CA 3.21Å; N16-G79 PolarHBondContact ND2-N 3.14Å; N16-G79 PolarHBondContact O-N 3.47Å; N16-R293 HydrophobicContact CB-CB 4.11Å; N16-R293 HydrophobicContact CB-CG 4.24Å; N16-R293 PolarHBondContact N-O 3.33Å
17H97.5Very high96.8Very high10 Ų1026.2 Ų26.25%0.04615%0.15CC..  trans-81.9170.6170.763.1-84.7000109.8R14 V15 S28 F29 G30 C295 F306R14-H17 HydrophobicContact CB-CB 4.17Å; R14-H17 PolarHBondContact O-CE1 3.42Å; R14-H17 PolarHBondContact O-ND1 2.95Å; R14-H17 VanDerWaalsContact O-ND1 3.15Å; V15-H17 PolarHBondContact O-N 2.88Å; V15-H17 VanDerWaalsContact O-N 3.12Å; H17-S28 PolarHBondContact CD2-OG 3.47Å; H17-F29 WeakPolarHBondContact CB-O 3.47Å; H17-G30 VanDerWaalsContact CB-O 3.3Å; H17-G30 WeakPolarHBondContact CB-O 3.44Å; H17-C295 PolarHBondContact CD2-SG 3.34Å; H17-C295 VanDerWaalsContact NE2-CB 3.33Å; H17-C295 WeakPolarHBondContact NE2-CB 3.23Å; H17-C295 PolarHBondContact NE2-SG 2.68Å; H17-C295 PolarHBondContact O-SG 3.43Å; H17-F306 AromaticContact CD2-CE2 3.9Å; H17-F306 AromaticContact CE1-CE2 3.93Å; H17-F306 AromaticContact NE2-CD2 3.67Å; H17-F306 AromaticContact NE2-CE2 3.08Å; H17-F306 WeakPolarHBondContact NE2-CE2 3.35Å; H17-F306 AromaticContact NE2-CZ 3.57Å
18A98.3Very high96.8Very high8 Ų822.4 Ų22.47%0.06613%0.133CC..EExtended strand (participates in β ladder)trans-111.7146.8169.600000110.4S28 F29 H80 A82A18-S28 CarbonylContact O-C 3.59Å; A18-S28 WeakPolarHBondContact O-CA 3.43Å; A18-F29 PolarHBondContact N-O 3.35Å; A18-F29 PolarHBondContact O-N 3.02Å; A18-H80 VanDerWaalsContact CB-CD2 3.46Å; A18-H80 WeakPolarHBondContact CB-CD2 3.43Å; A18-H80 WeakPolarHBondContact CB-NE2 3.41Å; A18-A82 HydrophobicContact CB-CB 3.76Å
19A98.4Very high96.9Very high20 Ų2022.2 Ų22.217%0.16513%0.132CC..EExtended strand (participates in β ladder)trans-143.4148.2177.300000112.7V26 Y27 C295 C297 F306A19-V26 HydrophobicContact CB-CG1 4.16Å; A19-Y27 CarbonylContact C-O 3.55Å; A19-Y27 WeakPolarHBondContact CA-O 3.31Å; A19-Y27 WeakPolarHBondContact CB-O 3.47Å; A19-C295 HydrophobicContact CB-CB 3.76Å; A19-C297 VanDerWaalsContact C-SG 3.54Å; A19-C297 VanDerWaalsContact CB-SG 3.57Å; A19-F306 HydrophobicContact CB-CE1 4.17Å; A19-F306 HydrophobicContact CB-CZ 3.61Å
20V98.3Very high96.8Very high15 Ų1520.8 Ų20.89%0.09113%0.125CC..EExtended strand (participates in β ladder)trans-139.8133.9-174.2-171.20000110.1V26 Y27 A82 L84 I89V20-V26 WeakPolarHBondContact O-CA 3.25Å; V20-Y27 PolarHBondContact N-O 2.93Å; V20-Y27 PolarHBondContact O-N 3.31Å; V20-A82 HydrophobicContact CG2-CB 3.6Å; V20-A82 WeakPolarHBondContact CG2-O 3.44Å; V20-L84 HydrophobicContact CG1-CB 3.56Å; V20-I89 HydrophobicContact CB-CD1 4.29Å; V20-I89 HydrophobicContact CG2-CG2 4.14Å
21A98.2Very high96.8Very high27 Ų2720.8 Ų20.822%0.22313%0.125CC..EExtended strand (participates in β ladder)trans-82.7136.5172.300000111.1K25 V26 C297 M298 V299A21-K25 CarbonylContact C-O 3.57Å; A21-K25 WeakPolarHBondContact CA-O 3.4Å; A21-V26 HydrophobicContact CB-CG2 4.48Å; A21-C297 HydrophobicContact CB-CB 4.12Å; A21-M298 WeakPolarHBondContact CB-O 3.11Å; A21-V299 HydrophobicContact CB-CG2 3.98Å
22V97.9Very high96.6Very high28 Ų2822.5 Ų22.517%0.1713%0.131CC..EExtended strand (participates in β ladder)trans-135.5103.9175.7-173.40000107.8H24 K25 Y27 L84 I89 V110V22-H24 PolarHBondContact O-N 3.4Å; V22-K25 PolarHBondContact N-O 3.13Å; V22-K25 PolarHBondContact O-N 2.86Å; V22-Y27 HydrophobicContact CB-CD2 4.14Å; V22-Y27 HydrophobicContact CB-CE2 3.96Å; V22-Y27 HydrophobicContact CG2-CD2 3.74Å; V22-Y27 HydrophobicContact CG2-CE2 3.96Å; V22-L84 HydrophobicContact CB-CD2 4.49Å; V22-L84 HydrophobicContact CG1-CD2 4.4Å; V22-L84 HydrophobicContact CG2-CD1 4.03Å; V22-L84 HydrophobicContact CG2-CD2 4.06Å; V22-I89 HydrophobicContact CG2-CD1 3.97Å; V22-I89 HydrophobicContact CG2-CG1 4.47Å; V22-V110 HydrophobicContact CG1-CB 4.4Å; V22-V110 HydrophobicContact CG1-CG1 4.37Å; V22-V110 HydrophobicContact CG1-CG2 4.15Å; V22-V110 HydrophobicContact CG2-CG1 4.13Å
23G96.6Very high96.4Very high70 Ų7022.8 Ų22.872%0.72213%0.133SC*.THydrogen-bonded Turntrans56.1-120.4-171.700000111.5
24H96.8Very high96.1Very high84 Ų8423 Ų2339%0.38915%0.145SC..THydrogen-bonded Turntrans-91.88.6177.866.8-89000113.8V22 S51 V52V22-H24 PolarHBondContact O-N 3.4Å; H24-S51 VanDerWaalsContact O-CB 3.32Å; H24-S51 WeakPolarHBondContact O-CB 3.41Å; H24-S51 PolarHBondContact O-N 3.13Å; H24-S51 PolarHBondContact O-OG 3.28Å; H24-V52 HydrophobicContact CB-CG2 4.07Å
25K98.1Very high95.5Very high67 Ų6726.7 Ų26.729%0.29119%0.187SC..EExtended strand (participates in β ladder)trans-112.7154.2-178.7-64177.7-178.5175.20111.3A21 V22 Y27 V48 F49A21-K25 CarbonylContact C-O 3.57Å; A21-K25 WeakPolarHBondContact CA-O 3.4Å; V22-K25 PolarHBondContact N-O 3.13Å; V22-K25 PolarHBondContact O-N 2.86Å; K25-Y27 HydrophobicContact CB-CD2 4.44Å; K25-Y27 HydrophobicContact CB-CE2 3.95Å; K25-Y27 HydrophobicContact CD-CE2 4.34Å; K25-V48 HydrophobicContact CB-CG1 4.07Å; K25-V48 HydrophobicContact CD-CG1 4Å; K25-V48 HydrophobicContact CG-CG1 4.29Å; K25-F49 CarbonylContact C-O 3.48Å; K25-F49 WeakPolarHBondContact CA-O 3.37Å
26V98.6Very high94.9Very high0 Ų030.2 Ų30.20%020%0.203CC..EExtended strand (participates in β ladder)trans-121.6123.7168.3178.70000108.5A19 V20 A21 V48 F49 C297 V299 V304 F306A19-V26 HydrophobicContact CB-CG1 4.16Å; V20-V26 WeakPolarHBondContact O-CA 3.25Å; A21-V26 HydrophobicContact CB-CG2 4.48Å; V26-V48 CarbonylContact O-C 3.56Å; V26-V48 WeakPolarHBondContact O-CA 3.36Å; V26-F49 HydrophobicContact CB-CB 4.23Å; V26-F49 PolarHBondContact N-O 3.26Å; V26-F49 PolarHBondContact O-N 2.77Å; V26-C297 HydrophobicContact CG1-CB 3.93Å; V26-C297 VanDerWaalsContact CG1-SG 3.56Å; V26-C297 HydrophobicContact CG2-CB 3.91Å; V26-V299 HydrophobicContact CG2-CG2 3.51Å; V26-V304 HydrophobicContact CG2-CB 4.38Å; V26-V304 HydrophobicContact CG2-CG2 4.37Å; V26-F306 HydrophobicContact CG1-CE1 3.95Å; V26-F306 HydrophobicContact CG1-CZ 4.17Å
27Y98.7Very high93.9Very high5 Ų534.3 Ų34.32%0.0223%0.225CC..EExtended strand (participates in β ladder)trans-96.8131.5174.6-70.9-105.9000108.7A19 V20 V22 K25 F29 V46 H47 V48 I89 F108 H113A19-Y27 CarbonylContact C-O 3.55Å; A19-Y27 WeakPolarHBondContact CA-O 3.31Å; A19-Y27 WeakPolarHBondContact CB-O 3.47Å; V20-Y27 PolarHBondContact N-O 2.93Å; V20-Y27 PolarHBondContact O-N 3.31Å; V22-Y27 HydrophobicContact CB-CD2 4.14Å; V22-Y27 HydrophobicContact CB-CE2 3.96Å; V22-Y27 HydrophobicContact CG2-CD2 3.74Å; V22-Y27 HydrophobicContact CG2-CE2 3.96Å; K25-Y27 HydrophobicContact CB-CD2 4.44Å; K25-Y27 HydrophobicContact CB-CE2 3.95Å; K25-Y27 HydrophobicContact CD-CE2 4.34Å; Y27-F29 HydrophobicContact CD1-CZ 4.42Å; Y27-F29 HydrophobicContact CG-CZ 4.49Å; Y27-V46 HydrophobicContact CD1-CG1 4.16Å; Y27-H47 CarbonylContact C-O 3.58Å; Y27-H47 WeakPolarHBondContact CA-O 3.38Å; Y27-V48 HydrophobicContact CD1-CG2 3.62Å; Y27-V48 HydrophobicContact CD2-CG1 4.5Å; Y27-V48 HydrophobicContact CE1-CG1 4.3Å; Y27-V48 HydrophobicContact CE1-CG2 3.55Å; Y27-V48 HydrophobicContact CE2-CG1 4.22Å; Y27-V48 HydrophobicContact CG-CG2 4.3Å; Y27-I89 HydrophobicContact CD2-CD1 4.3Å; Y27-I89 HydrophobicContact CG-CD1 4.01Å; Y27-F108 AromaticContact CD1-CE1 3.84Å; Y27-F108 HydrophobicContact CD1-CE1 3.84Å; Y27-F108 AromaticContact CE1-CE1 3.76Å; Y27-F108 HydrophobicContact CE1-CE1 3.76Å; Y27-F108 HydrophobicContact CE1-CZ 4.4Å; Y27-H113 PolarHBondContact OH-NE2 2.93Å
28S98.4Very high92.7Very high0 Ų034.9 Ų34.90%023%0.227CC..EExtended strand (participates in β ladder)trans-121.8133.5177.81750000110.1H17 A18 V46 H47H17-S28 PolarHBondContact CD2-OG 3.47Å; A18-S28 CarbonylContact O-C 3.59Å; A18-S28 WeakPolarHBondContact O-CA 3.43Å; S28-V46 WeakPolarHBondContact O-CA 3.38Å; S28-H47 PolarHBondContact N-O 3.09Å; S28-H47 PolarHBondContact O-N 3.09Å
29F97.9Very high91.2Very high0 Ų041.4 Ų41.40%026%0.256CS..EExtended strand (participates in β ladder)trans-122.9123.3-172.3-58-88.4000110.5H17 A18 Y27 G31 I44 D45 V46 H80 A82 I89 L91 F108 W115H17-F29 WeakPolarHBondContact CB-O 3.47Å; A18-F29 PolarHBondContact N-O 3.35Å; A18-F29 PolarHBondContact O-N 3.02Å; Y27-F29 HydrophobicContact CD1-CZ 4.42Å; Y27-F29 HydrophobicContact CG-CZ 4.49Å; F29-G31 PolarHBondContact O-N 3.48Å; F29-I44 HydrophobicContact CB-CD1 3.98Å; F29-D45 WeakPolarHBondContact CA-O 3.46Å; F29-V46 HydrophobicContact CD1-CB 4.48Å; F29-V46 HydrophobicContact CD1-CG1 4.15Å; F29-V46 HydrophobicContact CD1-CG2 3.81Å; F29-V46 HydrophobicContact CE1-CB 4.41Å; F29-V46 HydrophobicContact CE1-CG1 3.72Å; F29-V46 HydrophobicContact CE1-CG2 3.85Å; F29-V46 HydrophobicContact CZ-CG1 4.28Å; F29-H80 PolarHBondContact O-CE1 3.42Å; F29-H80 PolarHBondContact O-NE2 3.44Å; F29-H80 VanDerWaalsContact O-NE2 3.08Å; F29-A82 HydrophobicContact CD2-CB 4.36Å; F29-I89 HydrophobicContact CE2-CD1 3.93Å; F29-I89 HydrophobicContact CE2-CG2 3.87Å; F29-I89 HydrophobicContact CZ-CB 4.43Å; F29-I89 HydrophobicContact CZ-CD1 3.77Å; F29-I89 HydrophobicContact CZ-CG2 4Å; F29-L91 HydrophobicContact CB-CD1 4.08Å; F29-L91 HydrophobicContact CG-CD1 4.41Å; F29-F108 HydrophobicContact CE1-CB 4.48Å; F29-F108 HydrophobicContact CE1-CD1 4.18Å; F29-F108 HydrophobicContact CE1-CG 4.15Å; F29-F108 HydrophobicContact CZ-CD1 4.06Å; F29-F108 HydrophobicContact CZ-CG 4.4Å; F29-W115 AromaticContact CD1-CH2 3.66Å; F29-W115 HydrophobicContact CD1-CH2 3.66Å; F29-W115 AromaticContact CD1-CZ2 3.73Å; F29-W115 HydrophobicContact CD1-CZ2 3.73Å; F29-W115 AromaticContact CE1-CH2 3.71Å; F29-W115 HydrophobicContact CE1-CH2 3.71Å; F29-W115 AromaticContact CE1-CZ2 3.73Å; F29-W115 HydrophobicContact CE1-CZ2 3.73Å
30G95.2Very high89.9Confident1 Ų143 Ų431%0.0126%0.264CS..  trans58.6-132.3169.400000114.5R14 H17 I44 D45R14-G30 WeakPolarHBondContact CD-O 3.32Å; H17-G30 VanDerWaalsContact CB-O 3.3Å; H17-G30 WeakPolarHBondContact CB-O 3.44Å; G30-I44 VanDerWaalsContact N-CG1 3.31Å; G30-D45 PolarHBondContact N-O 3.34Å; G30-D45 VanDerWaalsContact N-O 3.07Å
31G94.6Very high88.9Confident0 Ų047.2 Ų47.20%029%0.285CS..  trans84.1-179.7-164.800000111.7V15 F29 Y38 M76 R77V15-G31 CarbonylContact O-C 3.58Å; V15-G31 WeakPolarHBondContact O-CA 3.44Å; F29-G31 PolarHBondContact O-N 3.48Å; G31-Y38 WeakPolarHBondContact O-CE1 3.41Å; G31-M76 WeakPolarHBondContact O-CE 3.36Å; G31-R77 PolarHBondContact N-O 3.44Å
32Y91.4Very high88.4Confident37 Ų3751.3 Ų51.315%0.14530%0.295CS..BIsolated β-bridgetrans-114164.2173.174-92.6000113.3R14 V15 N16 Y38 Y78 R293R14-Y32 CarbonylContact C-O 3.58Å; R14-Y32 WeakPolarHBondContact CA-O 2.93Å; V15-Y32 HydrophobicContact CB-CD1 4.07Å; V15-Y32 HydrophobicContact CB-CD2 4.15Å; V15-Y32 HydrophobicContact CB-CE1 3.76Å; V15-Y32 HydrophobicContact CB-CE2 3.83Å; V15-Y32 HydrophobicContact CB-CG 4.26Å; V15-Y32 HydrophobicContact CG1-CD1 4.36Å; V15-Y32 HydrophobicContact CG1-CE1 3.57Å; V15-Y32 HydrophobicContact CG1-CE2 4.05Å; V15-Y32 WeakPolarHBondContact CG1-OH 3.39Å; V15-Y32 HydrophobicContact CG2-CD2 4.5Å; V15-Y32 HydrophobicContact CG2-CE2 4.13Å; V15-Y32 PolarHBondContact N-O 3.31Å; V15-Y32 PolarHBondContact O-N 3.13Å; N16-Y32 HydrophobicContact CB-CD1 4.26Å; N16-Y32 HydrophobicContact CB-CE1 3.99Å; Y32-Y38 WeakPolarHBondContact CA-OH 3.32Å; Y32-Y78 HydrophobicContact CD1-CD1 4Å; Y32-Y78 HydrophobicContact CD1-CD2 4.33Å; Y32-Y78 AromaticContact CD1-CG 3.83Å; Y32-Y78 HydrophobicContact CD1-CG 3.83Å; Y32-Y78 HydrophobicContact CG-CD1 4.4Å; Y32-R293 PolarHBondContact OH-NH1 3.01Å
33C90.6Very high88Confident10 Ų1052.3 Ų52.37%0.06830%0.298CS..  trans-136.3123.1169.21790000108.8R13 G35 E36 Y38 D325R13-C33 WeakPolarHBondContact CD-SG 3.31Å; C33-G35 PolarHBondContact O-N 3.28Å; C33-E36 HydrophobicContact CB-CG 3.96Å; C33-E36 WeakPolarHBondContact O-CB 3.35Å; C33-E36 PolarHBondContact O-N 2.84Å; C33-Y38 PolarHBondContact N-OH 3.15Å; C33-Y38 WeakPolarHBondContact O-CE2 3.45Å; C33-D325 VanDerWaalsContact CA-OD2 3.26Å; C33-D325 WeakPolarHBondContact CA-OD2 3.31Å
34S87.6Confident87.8Confident72 Ų7249.4 Ų49.450%0.50327%0.266SS..THydrogen-bonded Turntrans-52.4125.3178.1-57.40000110.4D325S34-D325 WeakPolarHBondContact CB-OD2 3.21Å; S34-D325 PolarHBondContact N-OD2 3.07Å; S34-D325 PolarHBondContact OG-OD1 3.15Å; S34-D325 PolarHBondContact OG-OD2 3Å; S34-D325 VanDerWaalsContact OG-OD2 3.09Å
35G81.7Confident87.6Confident89 Ų8945.8 Ų45.892%0.91825%0.249SC*.THydrogen-bonded Turntrans88.9-6.5-177.300000115.9C33C33-G35 PolarHBondContact O-N 3.28Å
36E81.9Confident87.6Confident73 Ų7343 Ų4334%0.34124%0.238SC..SBendtrans-82.7150.2165-66.5178.7171.700110.2R14 C33 Y38R14-E36 IonicContact CZ-OE1 3.26Å; R14-E36 IonicContact NH1-OE1 2.81Å; R14-E36 PolarHBondContact NH1-OE1 3.28Å; R14-E36 VanDerWaalsContact NH1-OE1 3.08Å; R14-E36 IonicContact NH1-OE2 2.73Å; R14-E36 IonicContact NH2-OE1 3.95Å; C33-E36 HydrophobicContact CB-CG 3.96Å; C33-E36 WeakPolarHBondContact O-CB 3.35Å; C33-E36 PolarHBondContact O-N 2.84Å; E36-Y38 HydrophobicContact CB-CD2 4.4Å; E36-Y38 HydrophobicContact CB-CE2 3.65Å; E36-Y38 VanDerWaalsContact O-CD2 3.26Å; E36-Y38 WeakPolarHBondContact O-CD2 3.47Å; E36-Y38 PolarHBondContact O-N 2.99Å; E36-Y38 PolarHBondContact OE2-OH 3.42Å
37D75.1Confident87.6Confident105 Ų10543.2 Ų43.256%0.56124%0.239SC*.  trans-80.5110.1177.2179.64.8000111.4E39 T40D37-E39 WeakPolarHBondContact OD1-CB 3.29Å; D37-E39 PolarHBondContact OD1-N 2.89Å; D37-T40 WeakPolarHBondContact OD2-CG2 3.17Å
38Y72.3Confident87.5Confident22 Ų2243.2 Ų43.29%0.08624%0.24CC..  trans-96.32.3178.9-78.6-86.8000114G31 Y32 C33 E36 T40 M76G31-Y38 WeakPolarHBondContact O-CE1 3.41Å; Y32-Y38 WeakPolarHBondContact CA-OH 3.32Å; C33-Y38 PolarHBondContact N-OH 3.15Å; C33-Y38 WeakPolarHBondContact O-CE2 3.45Å; E36-Y38 HydrophobicContact CB-CD2 4.4Å; E36-Y38 HydrophobicContact CB-CE2 3.65Å; E36-Y38 VanDerWaalsContact O-CD2 3.26Å; E36-Y38 WeakPolarHBondContact O-CD2 3.47Å; E36-Y38 PolarHBondContact O-N 2.99Å; E36-Y38 PolarHBondContact OE2-OH 3.42Å; Y38-T40 PolarHBondContact O-N 3.14Å; Y38-M76 HydrophobicContact CD1-CG 4.19Å; Y38-M76 HydrophobicContact CE1-CE 3.96Å; Y38-M76 HydrophobicContact CE1-CG 3.69Å
39E66.6Low87.5Confident144 Ų14443.2 Ų43.267%0.67324%0.24SC*.SBendtrans-78.64.8175.8-60.9-173.5175.700112.1D37 T98D37-E39 WeakPolarHBondContact OD1-CB 3.29Å; D37-E39 PolarHBondContact OD1-N 2.89Å; E39-T98 WeakPolarHBondContact CA-OG1 3.34Å; E39-T98 PolarHBondContact O-OG1 3.18Å
40T70.9Confident87.5Confident53 Ų5345.2 Ų45.233%0.32525%0.25SS..SBendtrans-101.4147.1-175.368.70000113.3D37 Y38 R42D37-T40 WeakPolarHBondContact OD2-CG2 3.17Å; Y38-T40 PolarHBondContact O-N 3.14Å; T40-R42 PolarHBondContact O-N 2.86Å; T40-R42 VanDerWaalsContact O-N 3.07Å
41L78.1Confident87.6Confident105 Ų10546.5 Ų46.555%0.5526%0.259SS..  trans-80.831.9172.2-58.2-179.4000113.1T98 E99L41-T98 HydrophobicContact CD2-CG2 4.42Å; L41-E99 HydrophobicContact CD2-CG 3.2Å; L41-E99 VanDerWaalsContact CD2-OE1 3.24Å; L41-E99 WeakPolarHBondContact CD2-OE1 3.27Å
42R86.8Confident87.6Confident112 Ų11251 Ų5142%0.42329%0.286SS..PPolyproline II helixtrans-61.2144.7-179.6-179177.9158.3-170.2-11.9110T40 D45 Y75 M76T40-R42 PolarHBondContact O-N 2.86Å; T40-R42 VanDerWaalsContact O-N 3.07Å; R42-D45 IonicContact CZ-OD1 3.19Å; R42-D45 IonicContact CZ-OD2 3.01Å; R42-D45 IonicContact NE-OD1 2.9Å; R42-D45 IonicContact NH2-OD1 3.88Å; R42-D45 PolarHBondContact NH2-OD1 3.29Å; R42-D45 IonicContact NH2-OD2 3.86Å; R42-D45 PolarHBondContact NH2-OD2 3.28Å; R42-Y75 CarbonylContact O-C 3.55Å; R42-Y75 VanDerWaalsContact O-CA 3.3Å; R42-Y75 WeakPolarHBondContact O-CA 3.42Å; R42-M76 WeakPolarHBondContact O-CB 3.45Å; R42-M76 PolarHBondContact O-N 3.32Å
43Q90.4Very high87.8Confident49 Ų4950.5 Ų50.523%0.22929%0.288CS..BIsolated β-bridgetrans-58.2142.6172.4-65.7-179.410.300111.2D45 V62 V73Q43-D45 PolarHBondContact O-N 3.4Å; Q43-V62 PolarHBondContact NE2-O 3.35Å; Q43-V62 PolarHBondContact OE1-O 2.95Å; Q43-V73 HydrophobicContact CB-CG1 3.87Å; Q43-V73 HydrophobicContact CG-CB 4.36Å; Q43-V73 HydrophobicContact CG-CG1 3.77Å
44I92.8Very high88.1Confident9 Ų950.5 Ų50.55%0.04629%0.288CS..PPolyproline II helixtrans-59131.3174.7-161.7167.1000110.2F29 G30 P74 M76 R77 L91 W115F29-I44 HydrophobicContact CB-CD1 3.98Å; G30-I44 VanDerWaalsContact N-CG1 3.31Å; I44-P74 HydrophobicContact CB-CB 4.2Å; I44-P74 WeakPolarHBondContact CB-O 3.49Å; I44-P74 HydrophobicContact CD1-CB 4.48Å; I44-P74 HydrophobicContact CG2-CB 3.83Å; I44-P74 HydrophobicContact CG2-CG 3.79Å; I44-P74 WeakPolarHBondContact CG2-O 3.38Å; I44-P74 PolarHBondContact N-O 2.8Å; I44-M76 HydrophobicContact CG1-SD 4.32Å; I44-R77 HydrophobicContact CD1-CG 4.22Å; I44-L91 HydrophobicContact CD1-CD1 3.87Å; I44-W115 HydrophobicContact CG2-CH2 4.29Å; I44-W115 HydrophobicContact CG2-CZ2 3.76Å
45D92.9Very high88.6Confident8 Ų850.5 Ų50.54%0.04328%0.277CS..PPolyproline II helixtrans-72138174.3-77.2-23.8000110.2R14 F29 G30 R42 Q43 H47 K58R14-D45 IonicContact CZ-OD2 3.45Å; R14-D45 IonicContact NH2-OD2 3.34Å; R14-D45 PolarHBondContact NH2-OD2 3.47Å; F29-D45 WeakPolarHBondContact CA-O 3.46Å; G30-D45 PolarHBondContact N-O 3.34Å; G30-D45 VanDerWaalsContact N-O 3.07Å; R42-D45 IonicContact CZ-OD1 3.19Å; R42-D45 IonicContact CZ-OD2 3.01Å; R42-D45 IonicContact NE-OD1 2.9Å; R42-D45 IonicContact NH2-OD1 3.88Å; R42-D45 PolarHBondContact NH2-OD1 3.29Å; R42-D45 IonicContact NH2-OD2 3.86Å; R42-D45 PolarHBondContact NH2-OD2 3.28Å; Q43-D45 PolarHBondContact O-N 3.4Å; D45-H47 IonicContact OD2-CE1 2.66Å; D45-K58 WeakPolarHBondContact OD1-CE 3.47Å; D45-K58 IonicContact OD1-NZ 2.77Å; D45-K58 PolarHBondContact OD1-NZ 2.99Å; D45-K58 IonicContact OD2-NZ 3.21Å; D45-K58 PolarHBondContact OD2-NZ 2.84Å; D45-K58 VanDerWaalsContact OD2-NZ 3.13Å
46V96.9Very high89.3Confident10 Ų1047.4 Ų47.46%0.06124%0.237CC..EExtended strand (participates in β ladder)trans-114.5116.8170-170.60000109.4Y27 S28 F29 L59 F108 W115Y27-V46 HydrophobicContact CD1-CG1 4.16Å; S28-V46 WeakPolarHBondContact O-CA 3.38Å; F29-V46 HydrophobicContact CD1-CB 4.48Å; F29-V46 HydrophobicContact CD1-CG1 4.15Å; F29-V46 HydrophobicContact CD1-CG2 3.81Å; F29-V46 HydrophobicContact CE1-CB 4.41Å; F29-V46 HydrophobicContact CE1-CG1 3.72Å; F29-V46 HydrophobicContact CE1-CG2 3.85Å; F29-V46 HydrophobicContact CZ-CG1 4.28Å; V46-L59 HydrophobicContact CB-CB 4.25Å; V46-L59 HydrophobicContact CB-CD1 4.05Å; V46-L59 HydrophobicContact CB-CG 4.31Å; V46-L59 HydrophobicContact CG1-CD1 3.68Å; V46-L59 HydrophobicContact CG1-CG 4.22Å; V46-L59 PolarHBondContact O-N 3.17Å; V46-F108 HydrophobicContact CG1-CZ 4.32Å; V46-W115 HydrophobicContact CG2-CZ2 3.86Å
47H97.9Very high90Very high3 Ų349 Ų491%0.01425%0.246CC..EExtended strand (participates in β ladder)trans-109.3140.1173.7-6289.9000109.7P12 Y27 S28 D45 W56 M57P12-H47 HydrophobicContact CB-CB 4.31Å; P12-H47 HydrophobicContact CG-CB 4.11Å; Y27-H47 CarbonylContact C-O 3.58Å; Y27-H47 WeakPolarHBondContact CA-O 3.38Å; S28-H47 PolarHBondContact N-O 3.09Å; S28-H47 PolarHBondContact O-N 3.09Å; D45-H47 IonicContact OD2-CE1 2.66Å; H47-W56 HydrophobicContact CB-CE3 3.9Å; H47-W56 HydrophobicContact CB-CZ3 3.88Å; H47-M57 CarbonylContact C-O 3.49Å; H47-M57 WeakPolarHBondContact CA-O 3.31Å
48V98.3Very high91Very high6 Ų647.8 Ų47.84%0.03624%0.236CC..EExtended strand (participates in β ladder)trans-122.3120.7179.6-171.50000109K25 V26 Y27 W56 M57 L59K25-V48 HydrophobicContact CB-CG1 4.07Å; K25-V48 HydrophobicContact CD-CG1 4Å; K25-V48 HydrophobicContact CG-CG1 4.29Å; V26-V48 CarbonylContact O-C 3.56Å; V26-V48 WeakPolarHBondContact O-CA 3.36Å; Y27-V48 HydrophobicContact CD1-CG2 3.62Å; Y27-V48 HydrophobicContact CD2-CG1 4.5Å; Y27-V48 HydrophobicContact CE1-CG1 4.3Å; Y27-V48 HydrophobicContact CE1-CG2 3.55Å; Y27-V48 HydrophobicContact CE2-CG1 4.22Å; Y27-V48 HydrophobicContact CG-CG2 4.3Å; V48-W56 CarbonylContact O-C 3.57Å; V48-W56 WeakPolarHBondContact O-CA 3.19Å; V48-M57 HydrophobicContact CB-CG 3.83Å; V48-M57 HydrophobicContact CB-SD 4.43Å; V48-M57 PolarHBondContact N-O 3.02Å; V48-M57 PolarHBondContact O-N 2.99Å; V48-L59 HydrophobicContact CG2-CD1 3.99Å; V48-L59 HydrophobicContact CG2-CD2 3.97Å; V48-L59 HydrophobicContact CG2-CG 3.86Å
49F98.6Very high92.1Very high0 Ų047.6 Ų47.60%024%0.236CC..EExtended strand (participates in β ladder)trans-95.7131.8170.1179.1-110.4000109.7K25 V26 L54 R55 W56 V304 L329 I331K25-F49 CarbonylContact C-O 3.48Å; K25-F49 WeakPolarHBondContact CA-O 3.37Å; V26-F49 HydrophobicContact CB-CB 4.23Å; V26-F49 PolarHBondContact N-O 3.26Å; V26-F49 PolarHBondContact O-N 2.77Å; F49-L54 HydrophobicContact CE1-CD2 4.41Å; F49-L54 VanDerWaalsContact CE2-C 3.47Å; F49-L54 HydrophobicContact CE2-CB 4.42Å; F49-L54 HydrophobicContact CZ-CB 4.29Å; F49-L54 HydrophobicContact CZ-CD2 3.72Å; F49-R55 WeakPolarHBondContact CA-O 3.49Å; F49-W56 HydrophobicContact CB-CD2 3.78Å; F49-W56 HydrophobicContact CB-CE3 3.61Å; F49-W56 HydrophobicContact CB-CH2 3.6Å; F49-W56 HydrophobicContact CB-CZ2 3.79Å; F49-W56 HydrophobicContact CB-CZ3 3.52Å; F49-W56 AromaticContact CD2-CD1 3.96Å; F49-W56 AromaticContact CD2-CD2 3.95Å; F49-W56 HydrophobicContact CD2-CD2 3.95Å; F49-W56 AromaticContact CD2-CE2 3.71Å; F49-W56 HydrophobicContact CD2-CG 4.12Å; F49-W56 HydrophobicContact CD2-CZ2 4.23Å; F49-W56 AromaticContact CD2-NE1 3.71Å; F49-W56 HydrophobicContact CG-CD2 4.33Å; F49-W56 HydrophobicContact CG-CH2 4.45Å; F49-W56 HydrophobicContact CG-CZ2 4.18Å; F49-V304 HydrophobicContact CD1-CG1 4Å; F49-V304 HydrophobicContact CD1-CG2 4.41Å; F49-V304 HydrophobicContact CE1-CG1 3.97Å; F49-V304 HydrophobicContact CE1-CG2 4.07Å; F49-L329 HydrophobicContact CD1-CD1 4.14Å; F49-L329 HydrophobicContact CD2-CD1 3.69Å; F49-L329 HydrophobicContact CE1-CD1 3.96Å; F49-L329 HydrophobicContact CE2-CD1 3.5Å; F49-L329 HydrophobicContact CE2-CD2 4.27Å; F49-L329 HydrophobicContact CG-CD1 4Å; F49-L329 HydrophobicContact CZ-CD1 3.64Å; F49-L329 HydrophobicContact CZ-CD2 3.91Å; F49-L329 HydrophobicContact CZ-CG 4.48Å; F49-I331 HydrophobicContact CE1-CD1 4.5Å; F49-I331 HydrophobicContact CZ-CD1 4.35Å
50N97.8Very high93.3Very high41 Ų4145.9 Ų45.922%0.21924%0.237CC..EExtended strand (participates in β ladder)trans-99115.7170.3-177.9-37.7000109.2V52 S53 L54 R55N50-V52 PolarHBondContact O-N 3.02Å; N50-V52 WeakPolarHBondContact OD1-CA 3.37Å; N50-V52 VanDerWaalsContact OD1-CB 3.32Å; N50-V52 WeakPolarHBondContact OD1-CB 3.35Å; N50-V52 PolarHBondContact OD1-N 3.39Å; N50-S53 WeakPolarHBondContact CB-OG 3.32Å; N50-S53 PolarHBondContact OD1-N 3.41Å; N50-S53 VanDerWaalsContact OD1-N 3.14Å; N50-L54 VanDerWaalsContact O-CA 3.23Å; N50-L54 WeakPolarHBondContact O-CA 3.23Å; N50-L54 PolarHBondContact O-N 3.46Å; N50-R55 PolarHBondContact N-O 3.21Å; N50-R55 PolarHBondContact O-N 3.44Å
51S96.7Very high94Very high28 Ų2847.7 Ų47.720%0.19625%0.25CS..THydrogen-bonded Turntrans-71.8-14.2-177.665.70000114.7H24 L54 V299H24-S51 VanDerWaalsContact O-CB 3.32Å; H24-S51 WeakPolarHBondContact O-CB 3.41Å; H24-S51 PolarHBondContact O-N 3.13Å; H24-S51 PolarHBondContact O-OG 3.28Å; S51-L54 WeakPolarHBondContact O-CD2 3.2Å; S51-V299 WeakPolarHBondContact OG-CG1 3.11Å
52V94.9Very high94.3Very high94 Ų9445.4 Ų45.457%0.5724%0.24SC*.THydrogen-bonded Turntrans-83.9-50.1175.8-177.90000110.2H24 N50H24-V52 HydrophobicContact CB-CG2 4.07Å; N50-V52 PolarHBondContact O-N 3.02Å; N50-V52 WeakPolarHBondContact OD1-CA 3.37Å; N50-V52 VanDerWaalsContact OD1-CB 3.32Å; N50-V52 WeakPolarHBondContact OD1-CB 3.35Å; N50-V52 PolarHBondContact OD1-N 3.39Å
53S95.8Very high94Very high28 Ų2851.4 Ų51.420%0.19626%0.263CS..THydrogen-bonded Turntrans-85-12.2178.965.20000114.5N50 R55N50-S53 WeakPolarHBondContact CB-OG 3.32Å; N50-S53 PolarHBondContact OD1-N 3.41Å; N50-S53 VanDerWaalsContact OD1-N 3.14Å; S53-R55 PolarHBondContact O-N 3.02Å; S53-R55 PolarHBondContact O-NH1 3.14Å
54L97.3Very high92.8Very high10 Ų1051.8 Ų51.85%0.05227%0.265CS..THydrogen-bonded Turntrans56.838.7-175.4-54.5177.2000112.4V6 L8 F49 N50 S51 I331 A366 M367V6-L54 HydrophobicContact CG1-CD1 4.25Å; V6-L54 HydrophobicContact CG2-CD1 4.21Å; L8-L54 HydrophobicContact CD1-CB 3.82Å; F49-L54 HydrophobicContact CE1-CD2 4.41Å; F49-L54 VanDerWaalsContact CE2-C 3.47Å; F49-L54 HydrophobicContact CE2-CB 4.42Å; F49-L54 HydrophobicContact CZ-CB 4.29Å; F49-L54 HydrophobicContact CZ-CD2 3.72Å; N50-L54 VanDerWaalsContact O-CA 3.23Å; N50-L54 WeakPolarHBondContact O-CA 3.23Å; N50-L54 PolarHBondContact O-N 3.46Å; S51-L54 WeakPolarHBondContact O-CD2 3.2Å; L54-I331 HydrophobicContact CD2-CD1 3.44Å; L54-I331 VanDerWaalsContact CD2-CD1 3.44Å; L54-A366 HydrophobicContact CB-CB 4.49Å; L54-A366 HydrophobicContact CD1-CB 4.15Å; L54-A366 HydrophobicContact CG-CB 4.47Å; L54-M367 HydrophobicContact CD1-CB 4.36Å; L54-M367 HydrophobicContact CD1-CG 3.75Å
55R96.4Very high91.1Very high72 Ų7254 Ų5427%0.27229%0.29SS..EExtended strand (participates in β ladder)trans-123.3142.3-178.9-64.7-60.5173.4-91.3-8.3112.7F49 N50 S53 A365 A366 T369F49-R55 WeakPolarHBondContact CA-O 3.49Å; N50-R55 PolarHBondContact N-O 3.21Å; N50-R55 PolarHBondContact O-N 3.44Å; S53-R55 PolarHBondContact O-N 3.02Å; S53-R55 PolarHBondContact O-NH1 3.14Å; R55-A365 PolarHBondContact NH2-O 3.16Å; R55-A366 PolarHBondContact NH1-O 3.24Å; R55-T369 PolarHBondContact NH1-O 2.97Å; R55-T369 VanDerWaalsContact NH1-O 3.14Å; R55-T369 VanDerWaalsContact NH2-CB 3.27Å
56W97.7Very high89.4Confident24 Ų2456.1 Ų56.19%0.09131%0.314CS..EExtended strand (participates in β ladder)trans-88.8145.1168.7-72.3102.7000111.2P12 H47 V48 F49 F306 L329 I373P12-W56 VanDerWaalsContact CD-CD2 3.44Å; P12-W56 VanDerWaalsContact CD-CE2 3.45Å; P12-W56 HydrophobicContact CG-CD2 4.1Å; P12-W56 HydrophobicContact CG-CE3 3.99Å; P12-W56 HydrophobicContact CG-CH2 4Å; P12-W56 HydrophobicContact CG-CZ2 4.08Å; P12-W56 HydrophobicContact CG-CZ3 3.95Å; H47-W56 HydrophobicContact CB-CE3 3.9Å; H47-W56 HydrophobicContact CB-CZ3 3.88Å; V48-W56 CarbonylContact O-C 3.57Å; V48-W56 WeakPolarHBondContact O-CA 3.19Å; F49-W56 HydrophobicContact CB-CD2 3.78Å; F49-W56 HydrophobicContact CB-CE3 3.61Å; F49-W56 HydrophobicContact CB-CH2 3.6Å; F49-W56 HydrophobicContact CB-CZ2 3.79Å; F49-W56 HydrophobicContact CB-CZ3 3.52Å; F49-W56 AromaticContact CD2-CD1 3.96Å; F49-W56 AromaticContact CD2-CD2 3.95Å; F49-W56 HydrophobicContact CD2-CD2 3.95Å; F49-W56 AromaticContact CD2-CE2 3.71Å; F49-W56 HydrophobicContact CD2-CG 4.12Å; F49-W56 HydrophobicContact CD2-CZ2 4.23Å; F49-W56 AromaticContact CD2-NE1 3.71Å; F49-W56 HydrophobicContact CG-CD2 4.33Å; F49-W56 HydrophobicContact CG-CH2 4.45Å; F49-W56 HydrophobicContact CG-CZ2 4.18Å; W56-F306 HydrophobicContact CH2-CD1 4.28Å; W56-F306 AromaticContact CH2-CD2 3.72Å; W56-F306 HydrophobicContact CH2-CD2 3.72Å; W56-F306 HydrophobicContact CH2-CE1 4.07Å; W56-F306 AromaticContact CH2-CE2 3.45Å; W56-F306 HydrophobicContact CH2-CE2 3.45Å; W56-F306 VanDerWaalsContact CH2-CE2 3.45Å; W56-F306 HydrophobicContact CH2-CG 4.13Å; W56-F306 AromaticContact CH2-CZ 3.65Å; W56-F306 HydrophobicContact CH2-CZ 3.65Å; W56-F306 HydrophobicContact CZ2-CB 4.38Å; W56-F306 HydrophobicContact CZ2-CD1 4.19Å; W56-F306 AromaticContact CZ2-CD2 3.69Å; W56-F306 HydrophobicContact CZ2-CD2 3.69Å; W56-F306 HydrophobicContact CZ2-CE1 4.43Å; W56-F306 AromaticContact CZ2-CE2 3.94Å; W56-F306 HydrophobicContact CZ2-CE2 3.94Å; W56-F306 AromaticContact CZ2-CG 3.82Å; W56-F306 HydrophobicContact CZ2-CG 3.82Å; W56-F306 HydrophobicContact CZ2-CZ 4.31Å; W56-F306 HydrophobicContact CZ3-CE2 4.46Å; W56-L329 HydrophobicContact CZ2-CD1 3.67Å; W56-I373 HydrophobicContact CB-CD1 4.36Å; W56-I373 HydrophobicContact CB-CG1 3.73Å
57M96.1Very high87.3Confident106 Ų10664.6 Ų64.652%0.52235%0.353SS..EExtended strand (participates in β ladder)trans-132.1146.2162.567.3-175.1-57.600109.4H47 V48 L59H47-M57 CarbonylContact C-O 3.49Å; H47-M57 WeakPolarHBondContact CA-O 3.31Å; V48-M57 HydrophobicContact CB-CG 3.83Å; V48-M57 HydrophobicContact CB-SD 4.43Å; V48-M57 PolarHBondContact N-O 3.02Å; V48-M57 PolarHBondContact O-N 2.99Å; M57-L59 HydrophobicContact CE-CD2 4.15Å
58K95.6Very high85Confident80 Ų8073.2 Ų73.235%0.34839%0.393SS..EExtended strand (participates in β ladder)trans-95.8128.2168.5-177174.3179.9167.70108.6D45D45-K58 WeakPolarHBondContact OD1-CE 3.47Å; D45-K58 IonicContact OD1-NZ 2.77Å; D45-K58 PolarHBondContact OD1-NZ 2.99Å; D45-K58 IonicContact OD2-NZ 3.21Å; D45-K58 PolarHBondContact OD2-NZ 2.84Å; D45-K58 VanDerWaalsContact OD2-NZ 3.13Å
59L95.2Very high83Confident18 Ų1879.4 Ų79.49%0.09442%0.416CS..PPolyproline II helixtrans-72143.3173.1-60-173.3000109.9V46 V48 M57 F108 H113V46-L59 HydrophobicContact CB-CB 4.25Å; V46-L59 HydrophobicContact CB-CD1 4.05Å; V46-L59 HydrophobicContact CB-CG 4.31Å; V46-L59 HydrophobicContact CG1-CD1 3.68Å; V46-L59 HydrophobicContact CG1-CG 4.22Å; V46-L59 PolarHBondContact O-N 3.17Å; V48-L59 HydrophobicContact CG2-CD1 3.99Å; V48-L59 HydrophobicContact CG2-CD2 3.97Å; V48-L59 HydrophobicContact CG2-CG 3.86Å; M57-L59 HydrophobicContact CE-CD2 4.15Å; L59-F108 HydrophobicContact CD1-CZ 3.83Å; L59-H113 HydrophobicContact CD1-CB 4.23Å
60P91.4Very high81Confident107 Ų10782.1 Ų82.170%0.69544%0.438SS*.PPolyproline II helixtrans-64146.4177.427.6-34.2000110.5
61P86.1Confident79.7Confident92 Ų9290.2 Ų90.260%0.59747%0.465SS*.PPolyproline II helixtrans-56.6148.2171.9-2333000111.7R63P61-R63 PolarHBondContact O-N 3.29Å
62V85.8Confident79.1Confident56 Ų5692.7 Ų92.734%0.33947%0.474SS..PPolyproline II helixtrans-72.5119.6176.6-178.70000108.5Q43 M64 V73Q43-V62 PolarHBondContact NE2-O 3.35Å; Q43-V62 PolarHBondContact OE1-O 2.95Å; V62-M64 PolarHBondContact O-N 2.95Å; V62-M64 VanDerWaalsContact O-N 3.16Å; V62-V73 HydrophobicContact CB-CG2 3.91Å; V62-V73 HydrophobicContact CG1-CG2 4.21Å; V62-V73 HydrophobicContact CG2-CG2 3.9Å
63R79.6Confident78.9Confident239 Ų23988.6 Ų88.690%0.90245%0.449SS*.  trans-71.9106.8174.3-64.9-174.8-178.8-170.10.1109.1P61 G65P61-R63 PolarHBondContact O-N 3.29Å; R63-G65 PolarHBondContact O-N 2.75Å
64M66.2Low78.8Confident56 Ų5687.3 Ų87.328%0.27644%0.44SS..  trans-74.8119.2173.5-61.7-62.6-169.300109.7V62 G66 R69 V73V62-M64 PolarHBondContact O-N 2.95Å; V62-M64 VanDerWaalsContact O-N 3.16Å; M64-G66 PolarHBondContact O-N 3.37Å; M64-R69 VanDerWaalsContact CE-C 3.47Å; M64-R69 HydrophobicContact CE-CB 4.44Å; M64-R69 WeakPolarHBondContact CE-O 3.19Å; M64-R69 HydrophobicContact SD-CB 3.29Å; M64-R69 WeakPolarHBondContact SD-CB 3.37Å; M64-V73 HydrophobicContact CE-CB 3.72Å; M64-V73 HydrophobicContact CE-CG2 3.39Å
65G55.5Low78.5Confident55 Ų5588.1 Ų88.157%0.56744%0.443SS*.SBendtrans-85.697.6160.100000108.6R63R63-G65 PolarHBondContact O-N 2.75Å
66G56.8Low78.3Confident53 Ų5385.1 Ų85.155%0.54643%0.432SS..SBendtrans91.7159.7178.100000115.7M64 E68M64-G66 PolarHBondContact O-N 3.37Å; G66-E68 VanDerWaalsContact C-N 3.3Å; G66-E68 PolarHBondContact O-N 3.34Å
67H53.8Low78.1Confident188 Ų18884 Ų8487%0.8743%0.428SS*.G310 helixtrans-66.1-23-176.4-85.2-82.7000114.4A70H67-A70 VanDerWaalsContact O-CB 3.23Å; H67-A70 WeakPolarHBondContact O-CB 3.48Å; H67-A70 PolarHBondContact O-N 2.98Å
68E50.6Low78.1Confident185 Ų18580.5 Ų80.586%0.86441%0.409SS*.G310 helixtrans-73.6-30.7-174.5-67.9-174.9161.200113.6G66 A70G66-E68 VanDerWaalsContact C-N 3.3Å; G66-E68 PolarHBondContact O-N 3.34Å; E68-A70 PolarHBondContact O-N 2.92Å
69R54.9Low78.2Confident136 Ų13676.9 Ų76.951%0.51339%0.394SS..G310 helixtrans-75.2-13.7178.5-68.5-175.7176.6163.94.1113.4M64 R71 E72M64-R69 VanDerWaalsContact CE-C 3.47Å; M64-R69 HydrophobicContact CE-CB 4.44Å; M64-R69 WeakPolarHBondContact CE-O 3.19Å; M64-R69 HydrophobicContact SD-CB 3.29Å; M64-R69 WeakPolarHBondContact SD-CB 3.37Å; R69-R71 PolarHBondContact O-N 3.11Å; R69-E72 WeakPolarHBondContact O-CB 3.3Å; R69-E72 PolarHBondContact O-N 3.28Å
70A57.4Low78.3Confident57 Ų5776.4 Ų76.447%0.47139%0.391SS..G310 helixtrans-46.6-33.1179.200000113.8H67 E68H67-A70 VanDerWaalsContact O-CB 3.23Å; H67-A70 WeakPolarHBondContact O-CB 3.48Å; H67-A70 PolarHBondContact O-N 2.98Å; E68-A70 PolarHBondContact O-N 2.92Å
71R70.1Confident78.7Confident210 Ų21072.1 Ų72.179%0.79236%0.363SS*.G310 helixtrans-87.8-5.6-176.1-63.8-176.3176.3-177.7-1.7114.9R69R69-R71 PolarHBondContact O-N 3.11Å
72E84.9Confident79.3Confident80 Ų8068.6 Ų68.637%0.37434%0.341SS..THydrogen-bonded Turntrans-83-23.4179.2-66.2-177.7163.100112.4R69 Y106 W115R69-E72 WeakPolarHBondContact O-CB 3.3Å; R69-E72 PolarHBondContact O-N 3.28Å; E72-Y106 WeakPolarHBondContact O-CD1 3.14Å; E72-W115 WeakPolarHBondContact O-CB 3.18Å
73V90.8Very high79.9Confident9 Ų966.4 Ų66.46%0.05533%0.329CS..SBendtrans-103.5130.7179.5179.60000108.7Q43 V62 M64 Y75 W115Q43-V73 HydrophobicContact CB-CG1 3.87Å; Q43-V73 HydrophobicContact CG-CB 4.36Å; Q43-V73 HydrophobicContact CG-CG1 3.77Å; V62-V73 HydrophobicContact CB-CG2 3.91Å; V62-V73 HydrophobicContact CG1-CG2 4.21Å; V62-V73 HydrophobicContact CG2-CG2 3.9Å; M64-V73 HydrophobicContact CE-CB 3.72Å; M64-V73 HydrophobicContact CE-CG2 3.39Å; V73-Y75 PolarHBondContact O-N 2.96Å; V73-W115 HydrophobicContact CG1-CG 4.42Å; V73-W115 HydrophobicContact CG2-CB 3.98Å; V73-W115 HydrophobicContact CG2-CG 4.08Å
74P93.2Very high80.8Confident0 Ų057.6 Ų57.60%030%0.299CS..PPolyproline II helixtrans-61.1140.5177.7-10.317.7000111.1I44 Y106 W115I44-P74 HydrophobicContact CB-CB 4.2Å; I44-P74 WeakPolarHBondContact CB-O 3.49Å; I44-P74 HydrophobicContact CD1-CB 4.48Å; I44-P74 HydrophobicContact CG2-CB 3.83Å; I44-P74 HydrophobicContact CG2-CG 3.79Å; I44-P74 WeakPolarHBondContact CG2-O 3.38Å; I44-P74 PolarHBondContact N-O 2.8Å; P74-Y106 HydrophobicContact CB-CD1 4.21Å; P74-Y106 HydrophobicContact CB-CD2 3.99Å; P74-Y106 HydrophobicContact CB-CE1 4.2Å; P74-Y106 HydrophobicContact CB-CE2 3.97Å; P74-Y106 HydrophobicContact CB-CG 4.11Å; P74-Y106 HydrophobicContact CG-CD1 3.64Å; P74-Y106 HydrophobicContact CG-CD2 3.87Å; P74-Y106 HydrophobicContact CG-CE1 4.1Å; P74-Y106 HydrophobicContact CG-CE2 4.3Å; P74-Y106 HydrophobicContact CG-CG 3.51Å; P74-W115 VanDerWaalsContact CD-CD2 3.49Å; P74-W115 VanDerWaalsContact CD-CE3 3.5Å; P74-W115 HydrophobicContact CG-CD2 4.15Å; P74-W115 HydrophobicContact CG-CE3 3.73Å; P74-W115 HydrophobicContact CG-CH2 3.68Å; P74-W115 HydrophobicContact CG-CZ2 4.09Å; P74-W115 HydrophobicContact CG-CZ3 3.48Å; P74-W115 VanDerWaalsContact CG-CZ3 3.48Å
75Y91.5Very high82.3Confident28 Ų2855.3 Ų55.311%0.1129%0.288CS..BIsolated β-bridgetrans-70159.4164.264.1-108000111.5R42 V73 R77 N96 E99 G100R42-Y75 CarbonylContact O-C 3.55Å; R42-Y75 VanDerWaalsContact O-CA 3.3Å; R42-Y75 WeakPolarHBondContact O-CA 3.42Å; V73-Y75 PolarHBondContact O-N 2.96Å; Y75-R77 HydrophobicContact CD2-CB 4.21Å; Y75-R77 VanDerWaalsContact CD2-NH2 3.31Å; Y75-R77 HydrophobicContact CE2-CB 4.05Å; Y75-R77 VanDerWaalsContact CG-NH2 3.28Å; Y75-R77 PolarHBondContact O-N 2.82Å; Y75-R77 PolarHBondContact O-NE 2.65Å; Y75-R77 PolarHBondContact OH-NH1 2.86Å; Y75-R77 PolarHBondContact OH-NH2 2.8Å; Y75-N96 HydrophobicContact CD2-CB 4.34Å; Y75-N96 WeakPolarHBondContact CD2-ND2 3.4Å; Y75-N96 HydrophobicContact CE2-CB 3.98Å; Y75-N96 VanDerWaalsContact CE2-ND2 3.34Å; Y75-N96 WeakPolarHBondContact CE2-ND2 3.33Å; Y75-N96 WeakPolarHBondContact CE2-OD1 3.44Å; Y75-E99 HydrophobicContact CD1-CB 4.4Å; Y75-E99 HydrophobicContact CD1-CG 4.06Å; Y75-E99 HydrophobicContact CE1-CB 3.54Å; Y75-E99 HydrophobicContact CE1-CG 3.65Å; Y75-E99 HydrophobicContact CE2-CB 3.99Å; Y75-E99 HydrophobicContact CE2-CG 4.38Å; Y75-E99 WeakPolarHBondContact OH-CB 3.46Å; Y75-G100 PolarHBondContact OH-O 2.91Å
76M91.4Very high84.2Confident9 Ų957.8 Ų57.84%0.04429%0.288CS..SBendtrans-62.2122.1179.3-171.261.9167.100110.4G31 Y38 R42 I44 N96G31-M76 WeakPolarHBondContact O-CE 3.36Å; Y38-M76 HydrophobicContact CD1-CG 4.19Å; Y38-M76 HydrophobicContact CE1-CE 3.96Å; Y38-M76 HydrophobicContact CE1-CG 3.69Å; R42-M76 WeakPolarHBondContact O-CB 3.45Å; R42-M76 PolarHBondContact O-N 3.32Å; I44-M76 HydrophobicContact CG1-SD 4.32Å; M76-N96 WeakPolarHBondContact O-CB 3.39Å
77R94.2Very high86Confident0 Ų059.5 Ų59.50%029%0.285CS..  trans-153.2166.2-171.165.9176.172.2-105.11.1111.3G31 I44 Y75 H80 G93 G94 R95G31-R77 PolarHBondContact N-O 3.44Å; I44-R77 HydrophobicContact CD1-CG 4.22Å; Y75-R77 HydrophobicContact CD2-CB 4.21Å; Y75-R77 VanDerWaalsContact CD2-NH2 3.31Å; Y75-R77 HydrophobicContact CE2-CB 4.05Å; Y75-R77 VanDerWaalsContact CG-NH2 3.28Å; Y75-R77 PolarHBondContact O-N 2.82Å; Y75-R77 PolarHBondContact O-NE 2.65Å; Y75-R77 PolarHBondContact OH-NH1 2.86Å; Y75-R77 PolarHBondContact OH-NH2 2.8Å; R77-H80 PolarHBondContact O-CE1 3.36Å; R77-H80 PolarHBondContact O-ND1 3.44Å; R77-G93 WeakPolarHBondContact CD-O 3.49Å; R77-G94 PolarHBondContact NH1-O 3.41Å; R77-R95 VanDerWaalsContact CA-O 3.31Å; R77-R95 WeakPolarHBondContact CA-O 3.19Å; R77-R95 VanDerWaalsContact CB-O 3.31Å; R77-R95 WeakPolarHBondContact CB-O 3.28Å
78Y95.7Very high88.2Confident33 Ų3352 Ų5213%0.12925%0.252CS..EExtended strand (participates in β ladder)trans-132.2163.2176.555-97.3000111.6N16 Y32 H80 G94 R95 D97N16-Y78 WeakPolarHBondContact O-CA 3.39Å; Y32-Y78 HydrophobicContact CD1-CD1 4Å; Y32-Y78 HydrophobicContact CD1-CD2 4.33Å; Y32-Y78 AromaticContact CD1-CG 3.83Å; Y32-Y78 HydrophobicContact CD1-CG 3.83Å; Y32-Y78 HydrophobicContact CG-CD1 4.4Å; Y78-H80 PolarHBondContact O-N 2.89Å; Y78-G94 CarbonylContact O-C 3.53Å; Y78-G94 WeakPolarHBondContact O-CA 3.37Å; Y78-R95 HydrophobicContact CD2-CG 4.18Å; Y78-R95 HydrophobicContact CE2-CG 3.62Å; Y78-R95 PolarHBondContact N-O 3.39Å; Y78-R95 PolarHBondContact O-N 3.39Å; Y78-D97 PolarHBondContact OH-OD1 2.86Å
79G97.1Very high90.5Very high3 Ų343.2 Ų43.23%0.03121%0.211CC..EExtended strand (participates in β ladder)trans70.415178.800000114.7N16 D129 G130N16-G79 WeakPolarHBondContact ND2-CA 3.21Å; N16-G79 PolarHBondContact ND2-N 3.14Å; N16-G79 PolarHBondContact O-N 3.47Å; G79-D129 WeakPolarHBondContact O-CA 3.5Å; G79-D129 WeakPolarHBondContact O-CB 3.33Å; G79-G130 PolarHBondContact O-N 2.95Å
80H98.3Very high92.6Very high9 Ų937.6 Ų37.64%0.04219%0.19CC..EExtended strand (participates in β ladder)trans-81.8168.1169.957.8-81.4000110.3A18 F29 R77 Y78 L91 W92 G93A18-H80 VanDerWaalsContact CB-CD2 3.46Å; A18-H80 WeakPolarHBondContact CB-CD2 3.43Å; A18-H80 WeakPolarHBondContact CB-NE2 3.41Å; F29-H80 PolarHBondContact O-CE1 3.42Å; F29-H80 PolarHBondContact O-NE2 3.44Å; F29-H80 VanDerWaalsContact O-NE2 3.08Å; R77-H80 PolarHBondContact O-CE1 3.36Å; R77-H80 PolarHBondContact O-ND1 3.44Å; Y78-H80 PolarHBondContact O-N 2.89Å; H80-L91 HydrophobicContact CB-CD2 4.36Å; H80-L91 VanDerWaalsContact CD2-CD1 3.49Å; H80-L91 WeakPolarHBondContact CD2-CD1 3.18Å; H80-W92 WeakPolarHBondContact CA-O 3.43Å; H80-W92 WeakPolarHBondContact CB-O 3.28Å; H80-G93 WeakPolarHBondContact CB-O 3.29Å
81T98.7Very high94.5Very high17 Ų1734.9 Ų34.910%0.10417%0.168CC..EExtended strand (participates in β ladder)trans-116154.9170.660.70000110.6L91 W92 H131 A133T81-L91 WeakPolarHBondContact O-CA 3.27Å; T81-W92 PolarHBondContact N-O 2.78Å; T81-W92 PolarHBondContact O-N 2.82Å; T81-H131 WeakPolarHBondContact CG2-NE2 3.34Å; T81-H131 WeakPolarHBondContact CG2-O 3.26Å; T81-H131 PolarHBondContact OG1-NE2 3.25Å; T81-A133 HydrophobicContact CG2-CB 3.96Å; T81-A133 VanDerWaalsContact OG1-CB 3.29Å; T81-A133 WeakPolarHBondContact OG1-CB 3.15Å
82A98.6Very high95.9Very high17 Ų1724.9 Ų24.914%0.1413%0.13CC..EExtended strand (participates in β ladder)trans-136.8138.8173.500000109.8A18 V20 F29 I89 Y90A18-A82 HydrophobicContact CB-CB 3.76Å; V20-A82 HydrophobicContact CG2-CB 3.6Å; V20-A82 WeakPolarHBondContact CG2-O 3.44Å; F29-A82 HydrophobicContact CD2-CB 4.36Å; A82-I89 HydrophobicContact CB-CG2 4.03Å; A82-Y90 CarbonylContact C-O 3.26Å; A82-Y90 WeakPolarHBondContact CA-O 3.32Å
83V98.6Very high96.5Very high11 Ų1121.1 Ų21.17%0.06711%0.112CC..EExtended strand (participates in β ladder)trans-136.4145.3178-62.30000111.1I89 Y90 A133 V135 M140V83-I89 CarbonylContact O-C 3.57Å; V83-I89 VanDerWaalsContact O-CA 3.32Å; V83-I89 WeakPolarHBondContact O-CA 3.49Å; V83-Y90 PolarHBondContact N-O 3.1Å; V83-Y90 PolarHBondContact O-N 2.91Å; V83-A133 HydrophobicContact CG1-CB 3.71Å; V83-V135 HydrophobicContact CB-CG2 3.59Å; V83-V135 HydrophobicContact CG1-CG2 4.01Å; V83-V135 HydrophobicContact CG2-CG2 3.87Å; V83-M140 HydrophobicContact CG2-CB 4.14Å; V83-M140 HydrophobicContact CG2-CE 4.33Å; V83-M140 HydrophobicContact CG2-CG 3.83Å; V83-M140 HydrophobicContact CG2-SD 3.68Å
84L98.4Very high96.8Very high54 Ų5420.7 Ų20.728%0.28311%0.109SC..EExtended strand (participates in β ladder)trans-90.7129.3172.5-178.568.6000109.8V20 V22 D86 I89 V110V20-L84 HydrophobicContact CG1-CB 3.56Å; V22-L84 HydrophobicContact CB-CD2 4.49Å; V22-L84 HydrophobicContact CG1-CD2 4.4Å; V22-L84 HydrophobicContact CG2-CD1 4.03Å; V22-L84 HydrophobicContact CG2-CD2 4.06Å; L84-D86 WeakPolarHBondContact CD1-O 3.47Å; L84-I89 HydrophobicContact CD1-CG1 3.87Å; L84-V110 HydrophobicContact CD1-CG1 4.37Å
85L97.8Very high96.8Very high8 Ų822.9 Ų22.94%0.04212%0.118CC..EExtended strand (participates in β ladder)trans-135.2118.9170.1-85.9164.2000107.9D87 T88 Y90 V135 G137 M140 T162L85-D87 PolarHBondContact O-N 3.41Å; L85-T88 PolarHBondContact N-O 3.39Å; L85-T88 PolarHBondContact O-N 2.81Å; L85-T88 VanDerWaalsContact O-O 3.08Å; L85-Y90 HydrophobicContact CB-CD2 3.99Å; L85-Y90 HydrophobicContact CB-CE2 3.82Å; L85-Y90 HydrophobicContact CD1-CD2 4.16Å; L85-Y90 HydrophobicContact CD1-CE2 4.38Å; L85-V135 HydrophobicContact CD1-CG2 4.3Å; L85-V135 HydrophobicContact CD2-CG1 3.43Å; L85-V135 VanDerWaalsContact CD2-CG1 3.43Å; L85-V135 HydrophobicContact CD2-CG2 4.39Å; L85-V135 HydrophobicContact CG-CG1 4.01Å; L85-V135 HydrophobicContact CG-CG2 4.06Å; L85-G137 WeakPolarHBondContact CD2-O 3.37Å; L85-M140 HydrophobicContact CD1-CB 4.17Å; L85-T162 HydrophobicContact CD1-CG2 3.43Å; L85-T162 VanDerWaalsContact CD1-CG2 3.43Å
86D94.8Very high96.8Very high107 Ų10721.7 Ų21.757%0.57211%0.113SC*.THydrogen-bonded Turntrans52.2-122.3-168.5-56.2-37.1000110.3L84 K138L84-D86 WeakPolarHBondContact CD1-O 3.47Å; D86-K138 IonicContact OD2-NZ 2.68Å
87D96.1Very high96.5Very high89 Ų8926.2 Ų26.248%0.47614%0.138SC..THydrogen-bonded Turntrans-100.216.5178-66.4-45000113.3L85 V110L85-D87 PolarHBondContact O-N 3.41Å; D87-V110 HydrophobicContact CB-CG2 4.09Å; D87-V110 VanDerWaalsContact O-CG2 3.28Å; D87-V110 WeakPolarHBondContact O-CG2 3.32Å; D87-V110 PolarHBondContact O-N 2.85Å; D87-V110 VanDerWaalsContact O-N 3.11Å
88T98.5Very high96Very high30 Ų3029.6 Ų29.618%0.18416%0.158CC..EExtended strand (participates in β ladder)trans-122.6128.8-176-58.30000111.2L85 Y90 A107L85-T88 PolarHBondContact N-O 3.39Å; L85-T88 PolarHBondContact O-N 2.81Å; L85-T88 VanDerWaalsContact O-O 3.08Å; T88-Y90 HydrophobicContact CG2-CD1 4.48Å; T88-Y90 HydrophobicContact CG2-CD2 4.18Å; T88-Y90 HydrophobicContact CG2-CE1 4.04Å; T88-Y90 HydrophobicContact CG2-CE2 3.7Å; T88-A107 HydrophobicContact CG2-CB 3.7Å
89I98.8Very high95.5Very high0 Ų033 Ų330%018%0.175CC..EExtended strand (participates in β ladder)trans-90.6120169.7-63.7170.1000108.3V20 V22 Y27 F29 A82 V83 L84 A107 F108 V110V20-I89 HydrophobicContact CB-CD1 4.29Å; V20-I89 HydrophobicContact CG2-CG2 4.14Å; V22-I89 HydrophobicContact CG2-CD1 3.97Å; V22-I89 HydrophobicContact CG2-CG1 4.47Å; Y27-I89 HydrophobicContact CD2-CD1 4.3Å; Y27-I89 HydrophobicContact CG-CD1 4.01Å; F29-I89 HydrophobicContact CE2-CD1 3.93Å; F29-I89 HydrophobicContact CE2-CG2 3.87Å; F29-I89 HydrophobicContact CZ-CB 4.43Å; F29-I89 HydrophobicContact CZ-CD1 3.77Å; F29-I89 HydrophobicContact CZ-CG2 4Å; A82-I89 HydrophobicContact CB-CG2 4.03Å; V83-I89 CarbonylContact O-C 3.57Å; V83-I89 VanDerWaalsContact O-CA 3.32Å; V83-I89 WeakPolarHBondContact O-CA 3.49Å; L84-I89 HydrophobicContact CD1-CG1 3.87Å; I89-A107 CarbonylContact O-C 3.54Å; I89-A107 WeakPolarHBondContact O-CA 3.32Å; I89-F108 HydrophobicContact CB-CB 4.32Å; I89-F108 HydrophobicContact CD1-CD1 4.37Å; I89-F108 PolarHBondContact N-O 3.35Å; I89-F108 PolarHBondContact O-N 2.87Å; I89-V110 HydrophobicContact CD1-CG1 3.81Å; I89-V110 HydrophobicContact CG1-CG1 3.86Å
90Y98.8Very high95.2Very high19 Ų1933.2 Ų33.28%0.07518%0.178CC..EExtended strand (participates in β ladder)trans-95.5129.9174-67.5-83.4000110A82 V83 L85 T88 L105 Y106 A107 P118 T162 M165A82-Y90 CarbonylContact C-O 3.26Å; A82-Y90 WeakPolarHBondContact CA-O 3.32Å; V83-Y90 PolarHBondContact N-O 3.1Å; V83-Y90 PolarHBondContact O-N 2.91Å; L85-Y90 HydrophobicContact CB-CD2 3.99Å; L85-Y90 HydrophobicContact CB-CE2 3.82Å; L85-Y90 HydrophobicContact CD1-CD2 4.16Å; L85-Y90 HydrophobicContact CD1-CE2 4.38Å; T88-Y90 HydrophobicContact CG2-CD1 4.48Å; T88-Y90 HydrophobicContact CG2-CD2 4.18Å; T88-Y90 HydrophobicContact CG2-CE1 4.04Å; T88-Y90 HydrophobicContact CG2-CE2 3.7Å; Y90-L105 HydrophobicContact CD1-CD1 4Å; Y90-L105 HydrophobicContact CD1-CD2 4.03Å; Y90-L105 HydrophobicContact CD1-CG 4.13Å; Y90-L105 HydrophobicContact CE1-CD2 4.35Å; Y90-Y106 CarbonylContact C-O 3.5Å; Y90-Y106 WeakPolarHBondContact CA-O 3.43Å; Y90-A107 HydrophobicContact CD1-CB 4.08Å; Y90-A107 HydrophobicContact CE1-CB 3.91Å; Y90-P118 HydrophobicContact CE1-CG 4.42Å; Y90-T162 HydrophobicContact CD2-CG2 4.23Å; Y90-T162 HydrophobicContact CE1-CG2 4.46Å; Y90-T162 HydrophobicContact CE2-CG2 3.86Å; Y90-M165 HydrophobicContact CE1-CE 3.82Å; Y90-M165 HydrophobicContact CE1-SD 4.35Å; Y90-M165 VanDerWaalsContact OH-CE 3.28Å; Y90-M165 WeakPolarHBondContact OH-CE 3.48Å
91L98.7Very high95Very high0 Ų033.5 Ų33.50%018%0.182CC..EExtended strand (participates in β ladder)trans-114.5130.5177.8-176.9154.3000109.6F29 I44 H80 T81 Y106 W115F29-L91 HydrophobicContact CB-CD1 4.08Å; F29-L91 HydrophobicContact CG-CD1 4.41Å; I44-L91 HydrophobicContact CD1-CD1 3.87Å; H80-L91 HydrophobicContact CB-CD2 4.36Å; H80-L91 VanDerWaalsContact CD2-CD1 3.49Å; H80-L91 WeakPolarHBondContact CD2-CD1 3.18Å; T81-L91 WeakPolarHBondContact O-CA 3.27Å; L91-Y106 HydrophobicContact CD2-CD2 4.09Å; L91-Y106 PolarHBondContact N-O 3.29Å; L91-Y106 PolarHBondContact O-N 3.1Å; L91-Y106 VanDerWaalsContact O-N 3.08Å; L91-W115 HydrophobicContact CB-CZ3 4.45Å; L91-W115 HydrophobicContact CD1-CH2 4.18Å
92W98.6Very high94.8Very high0 Ų033 Ų330%018%0.179CC..EExtended strand (participates in β ladder)trans-134.2140.3-179.1-176.1-97.6000112.2H80 T81 N103 L105 I120 V124 P125 H131 M140 W167H80-W92 WeakPolarHBondContact CA-O 3.43Å; H80-W92 WeakPolarHBondContact CB-O 3.28Å; T81-W92 PolarHBondContact N-O 2.78Å; T81-W92 PolarHBondContact O-N 2.82Å; W92-N103 HydrophobicContact CH2-CB 3.87Å; W92-N103 WeakPolarHBondContact CH2-O 3.35Å; W92-N103 HydrophobicContact CZ2-CB 3.82Å; W92-N103 WeakPolarHBondContact CZ3-O 3.22Å; W92-L105 HydrophobicContact CE3-CB 3.92Å; W92-L105 HydrophobicContact CE3-CD1 4.02Å; W92-L105 HydrophobicContact CZ3-CB 3.93Å; W92-I120 HydrophobicContact CH2-CD1 4.16Å; W92-I120 HydrophobicContact CZ3-CD1 3.86Å; W92-V124 HydrophobicContact CH2-CG1 3.71Å; W92-V124 HydrophobicContact CZ2-CG1 4.44Å; W92-P125 HydrophobicContact CH2-CG 4.33Å; W92-P125 HydrophobicContact CZ2-CB 3.83Å; W92-P125 HydrophobicContact CZ2-CG 3.58Å; W92-H131 AromaticContact CD1-CE1 3.83Å; W92-H131 AromaticContact CD1-NE2 3.49Å; W92-H131 PolarHBondContact O-CE1 2.92Å; W92-H131 VanDerWaalsContact O-CE1 3.27Å; W92-H131 PolarHBondContact O-NE2 2.95Å; W92-M140 HydrophobicContact CB-CE 3.72Å; W92-M140 HydrophobicContact CG-CE 4.46Å; W92-W167 HydrophobicContact CD2-CH2 4.49Å; W92-W167 AromaticContact CD2-CZ2 3.97Å; W92-W167 HydrophobicContact CD2-CZ2 3.97Å; W92-W167 AromaticContact CE3-CZ2 3.82Å; W92-W167 HydrophobicContact CE3-CZ2 3.82Å; W92-W167 HydrophobicContact CH2-CZ2 4.35Å; W92-W167 HydrophobicContact CZ2-CZ2 4.5Å; W92-W167 HydrophobicContact CZ3-CZ2 4.01Å; W92-W167 AromaticContact CZ3-NE1 3.92Å
93G98Very high94.7Very high0 Ų035.5 Ų35.50%019%0.19CC..EExtended strand (participates in β ladder)trans71.6-148.3170.800000115.2R77 H80 C102 R128R77-G93 WeakPolarHBondContact CD-O 3.49Å; H80-G93 WeakPolarHBondContact CB-O 3.29Å; G93-C102 VanDerWaalsContact CA-O 3.29Å; G93-C102 WeakPolarHBondContact CA-O 3.45Å; G93-R128 CarbonylContact C-O 3.48Å; G93-R128 VanDerWaalsContact CA-O 3.29Å; G93-R128 WeakPolarHBondContact CA-O 3.4Å
94G97.2Very high94.6Very high0 Ų037.6 Ų37.60%020%0.203CC..EExtended strand (participates in β ladder)trans77.8168.8-17300000112.7R77 Y78 A101 C102 R128R77-G94 PolarHBondContact NH1-O 3.41Å; Y78-G94 CarbonylContact O-C 3.53Å; Y78-G94 WeakPolarHBondContact O-CA 3.37Å; G94-A101 CarbonylContact O-C 3.57Å; G94-A101 WeakPolarHBondContact O-CA 3.4Å; G94-C102 PolarHBondContact O-N 3.47Å; G94-R128 PolarHBondContact N-O 3Å
95R94Very high94.6Very high47 Ų4735.2 Ų35.218%0.17719%0.19CC..EExtended strand (participates in β ladder)trans-135.6162.5-177.869.6169.297.393.2-10.6112.9R77 Y78 G100 A101 D129R77-R95 VanDerWaalsContact CA-O 3.31Å; R77-R95 WeakPolarHBondContact CA-O 3.19Å; R77-R95 VanDerWaalsContact CB-O 3.31Å; R77-R95 WeakPolarHBondContact CB-O 3.28Å; Y78-R95 HydrophobicContact CD2-CG 4.18Å; Y78-R95 HydrophobicContact CE2-CG 3.62Å; Y78-R95 PolarHBondContact N-O 3.39Å; Y78-R95 PolarHBondContact O-N 3.39Å; R95-G100 WeakPolarHBondContact CA-O 3.28Å; R95-G100 WeakPolarHBondContact CB-O 3.47Å; R95-A101 HydrophobicContact CB-CB 4.31Å; R95-D129 HydrophobicContact CG-CB 4.38Å; R95-D129 IonicContact CZ-OD1 2.6Å; R95-D129 IonicContact CZ-OD2 2.66Å; R95-D129 IonicContact NE-OD1 2.78Å; R95-D129 PolarHBondContact NE-OD1 2.91Å; R95-D129 IonicContact NE-OD2 3.15Å; R95-D129 PolarHBondContact NE-OD2 2.94Å; R95-D129 IonicContact NH1-OD1 2.94Å; R95-D129 IonicContact NH1-OD2 3.41Å; R95-D129 PolarHBondContact NH1-OD2 2.96Å; R95-D129 IonicContact NH2-OD1 3.97Å; R95-D129 PolarHBondContact NH2-OD1 2.88Å; R95-D129 IonicContact NH2-OD2 3.06Å; R95-D129 PolarHBondContact NH2-OD2 2.85Å
96N90.6Very high94.6Very high3 Ų335.5 Ų35.52%0.01619%0.191CC..EExtended strand (participates in β ladder)trans-132.9-178.5155.871.9-5.5000108.8Y75 M76 T98 E99 G100Y75-N96 HydrophobicContact CD2-CB 4.34Å; Y75-N96 WeakPolarHBondContact CD2-ND2 3.4Å; Y75-N96 HydrophobicContact CE2-CB 3.98Å; Y75-N96 VanDerWaalsContact CE2-ND2 3.34Å; Y75-N96 WeakPolarHBondContact CE2-ND2 3.33Å; Y75-N96 WeakPolarHBondContact CE2-OD1 3.44Å; M76-N96 WeakPolarHBondContact O-CB 3.39Å; N96-T98 PolarHBondContact OD1-N 3.18Å; N96-E99 WeakPolarHBondContact OD1-CA 3.5Å; N96-E99 WeakPolarHBondContact OD1-CB 3.33Å; N96-E99 PolarHBondContact OD1-N 2.96Å; N96-G100 PolarHBondContact N-O 3.26Å; N96-G100 WeakPolarHBondContact O-CA 3.35Å; N96-G100 PolarHBondContact O-N 3.36Å; N96-G100 PolarHBondContact OD1-N 3.04Å
97D84.6Confident94.7Very high104 Ų10430.5 Ų30.556%0.55617%0.165SC*.THydrogen-bonded Turntrans-82.2-20.4-171.7-55.6-18.8000111.9Y78Y78-D97 PolarHBondContact OH-OD1 2.86Å
98T84.9Confident94.9Very high70 Ų7026.4 Ų26.443%0.42914%0.142SC..THydrogen-bonded Turntrans-91.1-50.7-178.1-47.40000114.2E39 L41 N96E39-T98 WeakPolarHBondContact CA-OG1 3.34Å; E39-T98 PolarHBondContact O-OG1 3.18Å; L41-T98 HydrophobicContact CD2-CG2 4.42Å; N96-T98 PolarHBondContact OD1-N 3.18Å
99E84.3Confident94.8Very high104 Ų10427.4 Ų27.449%0.48615%0.147SC..THydrogen-bonded Turntrans-96.1-9-174.8-64.8-78.3136.400111.9L41 Y75 N96L41-E99 HydrophobicContact CD2-CG 3.2Å; L41-E99 VanDerWaalsContact CD2-OE1 3.24Å; L41-E99 WeakPolarHBondContact CD2-OE1 3.27Å; Y75-E99 HydrophobicContact CD1-CB 4.4Å; Y75-E99 HydrophobicContact CD1-CG 4.06Å; Y75-E99 HydrophobicContact CE1-CB 3.54Å; Y75-E99 HydrophobicContact CE1-CG 3.65Å; Y75-E99 HydrophobicContact CE2-CB 3.99Å; Y75-E99 HydrophobicContact CE2-CG 4.38Å; Y75-E99 WeakPolarHBondContact OH-CB 3.46Å; N96-E99 WeakPolarHBondContact OD1-CA 3.5Å; N96-E99 WeakPolarHBondContact OD1-CB 3.33Å; N96-E99 PolarHBondContact OD1-N 2.96Å
100G90Very high94.7Very high9 Ų927.9 Ų27.99%0.09315%0.15CC..EExtended strand (participates in β ladder)trans67.6-153-174.100000112.7Y75 R95 N96Y75-G100 PolarHBondContact OH-O 2.91Å; R95-G100 WeakPolarHBondContact CA-O 3.28Å; R95-G100 WeakPolarHBondContact CB-O 3.47Å; N96-G100 PolarHBondContact N-O 3.26Å; N96-G100 WeakPolarHBondContact O-CA 3.35Å; N96-G100 PolarHBondContact O-N 3.36Å; N96-G100 PolarHBondContact OD1-N 3.04Å
101A94.3Very high94.6Very high14 Ų1432.3 Ų32.312%0.11618%0.175CC..EExtended strand (participates in β ladder)trans-73.3149.3179.900000111.5G94 R95 A127 Q148G94-A101 CarbonylContact O-C 3.57Å; G94-A101 WeakPolarHBondContact O-CA 3.4Å; R95-A101 HydrophobicContact CB-CB 4.31Å; A101-A127 HydrophobicContact CB-CB 3.93Å; A101-A127 WeakPolarHBondContact O-CB 3.42Å; A101-Q148 HydrophobicContact CB-CB 3.91Å
102C95.2Very high94.4Very high6 Ų636 Ų364%0.04120%0.198CC..  trans-113.7152.5-177.3-178.60000112G93 G94 V104 A127 R128G93-C102 VanDerWaalsContact CA-O 3.29Å; G93-C102 WeakPolarHBondContact CA-O 3.45Å; G94-C102 PolarHBondContact O-N 3.47Å; C102-V104 PolarHBondContact SG-N 3.48Å; C102-A127 WeakPolarHBondContact O-CA 3.38Å; C102-R128 PolarHBondContact O-N 2.73Å
103N96Very high94.2Very high70 Ų7039.3 Ų39.337%0.37421%0.213SC..  trans-135.926.2168.165-17.3000111.8W92 A127W92-N103 HydrophobicContact CH2-CB 3.87Å; W92-N103 WeakPolarHBondContact CH2-O 3.35Å; W92-N103 HydrophobicContact CZ2-CB 3.82Å; W92-N103 WeakPolarHBondContact CZ3-O 3.22Å; N103-A127 HydrophobicContact CB-CB 4.12Å
104V96.6Very high94Very high56 Ų5648 Ų4834%0.33925%0.245SC..  trans-87.7128.7172179.60000108.5C102 Y106 T117C102-V104 PolarHBondContact SG-N 3.48Å; V104-Y106 HydrophobicContact CB-CD2 4.29Å; V104-Y106 HydrophobicContact CB-CE2 3.63Å; V104-Y106 HydrophobicContact CG1-CD1 4.43Å; V104-Y106 HydrophobicContact CG1-CD2 4.1Å; V104-Y106 HydrophobicContact CG1-CE1 4.02Å; V104-Y106 HydrophobicContact CG1-CE2 3.64Å; V104-Y106 HydrophobicContact CG1-CG 4.47Å; V104-Y106 WeakPolarHBondContact O-CD2 3.21Å; V104-T117 HydrophobicContact CG1-CG2 3.96Å
105L98.2Very high94Very high3 Ų349.1 Ų49.12%0.01625%0.25CC..  trans-80.1119.2170.4-176.370.5000109Y90 W92 P118 I120 L160 M165Y90-L105 HydrophobicContact CD1-CD1 4Å; Y90-L105 HydrophobicContact CD1-CD2 4.03Å; Y90-L105 HydrophobicContact CD1-CG 4.13Å; Y90-L105 HydrophobicContact CE1-CD2 4.35Å; W92-L105 HydrophobicContact CE3-CB 3.92Å; W92-L105 HydrophobicContact CE3-CD1 4.02Å; W92-L105 HydrophobicContact CZ3-CB 3.93Å; L105-P118 HydrophobicContact CD2-CB 4.41Å; L105-P118 HydrophobicContact CD2-CG 4.37Å; L105-I120 HydrophobicContact CB-CD1 4.35Å; L105-I120 HydrophobicContact CB-CG2 3.96Å; L105-I120 HydrophobicContact CD2-CG2 3.52Å; L105-I120 HydrophobicContact CG-CG2 4.4Å; L105-L160 HydrophobicContact CD1-CD2 4.02Å; L105-L160 HydrophobicContact CD2-CD2 3.57Å; L105-L160 HydrophobicContact CG-CD2 4.46Å; L105-M165 HydrophobicContact CD2-SD 4.19Å
106Y98.3Very high94.1Very high14 Ų1449.5 Ų49.56%0.05526%0.26CS..EExtended strand (participates in β ladder)trans-106.5141.5171.4-63.3-89000109.9E72 P74 Y90 L91 V104 T117E72-Y106 WeakPolarHBondContact O-CD1 3.14Å; P74-Y106 HydrophobicContact CB-CD1 4.21Å; P74-Y106 HydrophobicContact CB-CD2 3.99Å; P74-Y106 HydrophobicContact CB-CE1 4.2Å; P74-Y106 HydrophobicContact CB-CE2 3.97Å; P74-Y106 HydrophobicContact CB-CG 4.11Å; P74-Y106 HydrophobicContact CG-CD1 3.64Å; P74-Y106 HydrophobicContact CG-CD2 3.87Å; P74-Y106 HydrophobicContact CG-CE1 4.1Å; P74-Y106 HydrophobicContact CG-CE2 4.3Å; P74-Y106 HydrophobicContact CG-CG 3.51Å; Y90-Y106 CarbonylContact C-O 3.5Å; Y90-Y106 WeakPolarHBondContact CA-O 3.43Å; L91-Y106 HydrophobicContact CD2-CD2 4.09Å; L91-Y106 PolarHBondContact N-O 3.29Å; L91-Y106 PolarHBondContact O-N 3.1Å; L91-Y106 VanDerWaalsContact O-N 3.08Å; V104-Y106 HydrophobicContact CB-CD2 4.29Å; V104-Y106 HydrophobicContact CB-CE2 3.63Å; V104-Y106 HydrophobicContact CG1-CD1 4.43Å; V104-Y106 HydrophobicContact CG1-CD2 4.1Å; V104-Y106 HydrophobicContact CG1-CE1 4.02Å; V104-Y106 HydrophobicContact CG1-CE2 3.64Å; V104-Y106 HydrophobicContact CG1-CG 4.47Å; V104-Y106 WeakPolarHBondContact O-CD2 3.21Å; Y106-T117 HydrophobicContact CD1-CG2 3.54Å; Y106-T117 HydrophobicContact CE1-CG2 3.64Å; Y106-T117 HydrophobicContact CG-CG2 4.42Å
107A98.1Very high94.3Very high3 Ų352 Ų523%0.02528%0.275CS..EExtended strand (participates in β ladder)trans-120.3128176.400000109.7T88 I89 Y90 W115 S116 P118T88-A107 HydrophobicContact CG2-CB 3.7Å; I89-A107 CarbonylContact O-C 3.54Å; I89-A107 WeakPolarHBondContact O-CA 3.32Å; Y90-A107 HydrophobicContact CD1-CB 4.08Å; Y90-A107 HydrophobicContact CE1-CB 3.91Å; A107-W115 CarbonylContact O-C 3.53Å; A107-W115 WeakPolarHBondContact O-CA 3.46Å; A107-S116 PolarHBondContact N-O 3.44Å; A107-S116 PolarHBondContact O-N 2.82Å; A107-P118 HydrophobicContact CB-CG 3.73Å
108F98.3Very high94.9Very high2 Ų248.5 Ų48.51%0.00926%0.258CS..EExtended strand (participates in β ladder)trans-114.5113.2177.4-178.3-98.1000109.8Y27 F29 V46 L59 I89 H113 W115Y27-F108 AromaticContact CD1-CE1 3.84Å; Y27-F108 HydrophobicContact CD1-CE1 3.84Å; Y27-F108 AromaticContact CE1-CE1 3.76Å; Y27-F108 HydrophobicContact CE1-CE1 3.76Å; Y27-F108 HydrophobicContact CE1-CZ 4.4Å; F29-F108 HydrophobicContact CE1-CB 4.48Å; F29-F108 HydrophobicContact CE1-CD1 4.18Å; F29-F108 HydrophobicContact CE1-CG 4.15Å; F29-F108 HydrophobicContact CZ-CD1 4.06Å; F29-F108 HydrophobicContact CZ-CG 4.4Å; V46-F108 HydrophobicContact CG1-CZ 4.32Å; L59-F108 HydrophobicContact CD1-CZ 3.83Å; I89-F108 HydrophobicContact CB-CB 4.32Å; I89-F108 HydrophobicContact CD1-CD1 4.37Å; I89-F108 PolarHBondContact N-O 3.35Å; I89-F108 PolarHBondContact O-N 2.87Å; F108-H113 HydrophobicContact CE2-CB 4.13Å; F108-H113 HydrophobicContact CZ-CB 3.73Å; F108-H113 AromaticContact CZ-CD2 3.92Å; F108-H113 AromaticContact CZ-CG 3.95Å; F108-W115 HydrophobicContact CB-CD2 4.2Å; F108-W115 HydrophobicContact CB-CE3 3.85Å; F108-W115 HydrophobicContact CB-CH2 3.95Å; F108-W115 HydrophobicContact CB-CZ2 4.28Å; F108-W115 HydrophobicContact CB-CZ3 3.73Å; F108-W115 AromaticContact CD2-CD1 3.98Å; F108-W115 AromaticContact CD2-CD2 3.75Å; F108-W115 HydrophobicContact CD2-CD2 3.75Å; F108-W115 AromaticContact CD2-CE2 3.45Å; F108-W115 VanDerWaalsContact CD2-CE2 3.45Å; F108-W115 HydrophobicContact CD2-CE3 4.28Å; F108-W115 HydrophobicContact CD2-CG 4.1Å; F108-W115 HydrophobicContact CD2-CH2 4.32Å; F108-W115 AromaticContact CD2-CZ2 3.79Å; F108-W115 HydrophobicContact CD2-CZ2 3.79Å; F108-W115 AromaticContact CD2-NE1 3.62Å; F108-W115 HydrophobicContact CE2-CZ2 4.49Å; F108-W115 AromaticContact CE2-NE1 3.89Å; F108-W115 HydrophobicContact CG-CD2 4.45Å; F108-W115 HydrophobicContact CG-CH2 4.39Å; F108-W115 HydrophobicContact CG-CZ2 4.27Å
109D97.4Very high95.4Very high52 Ų5254.9 Ų54.928%0.27828%0.28SS..EExtended strand (participates in β ladder)trans-77.6120177.5178.2-65000110N111 T112 H113 R114D109-N111 VanDerWaalsContact C-N 3.28Å; D109-N111 PolarHBondContact O-N 2.87Å; D109-N111 WeakPolarHBondContact OD1-CA 3.41Å; D109-N111 WeakPolarHBondContact OD1-CB 3.44Å; D109-N111 PolarHBondContact OD1-N 2.81Å; D109-T112 WeakPolarHBondContact CB-OG1 3.35Å; D109-T112 PolarHBondContact OD1-N 3.34Å; D109-T112 PolarHBondContact OD1-OG1 2.93Å; D109-H113 WeakPolarHBondContact O-CA 3.31Å; D109-H113 PolarHBondContact O-N 3.39Å; D109-R114 PolarHBondContact N-O 2.86Å
110V96.8Very high96Very high10 Ų1052.1 Ų52.16%0.06127%0.268CS..THydrogen-bonded Turntrans-75.2-17.1-172.5-55.60000113.6V22 L84 D87 I89 H113V22-V110 HydrophobicContact CG1-CB 4.4Å; V22-V110 HydrophobicContact CG1-CG1 4.37Å; V22-V110 HydrophobicContact CG1-CG2 4.15Å; V22-V110 HydrophobicContact CG2-CG1 4.13Å; L84-V110 HydrophobicContact CD1-CG1 4.37Å; D87-V110 HydrophobicContact CB-CG2 4.09Å; D87-V110 VanDerWaalsContact O-CG2 3.28Å; D87-V110 WeakPolarHBondContact O-CG2 3.32Å; D87-V110 PolarHBondContact O-N 2.85Å; D87-V110 VanDerWaalsContact O-N 3.11Å; I89-V110 HydrophobicContact CD1-CG1 3.81Å; I89-V110 HydrophobicContact CG1-CG1 3.86Å; V110-H113 PolarHBondContact O-CD2 3.11Å; V110-H113 PolarHBondContact O-NE2 2.94Å
111N95.9Very high96.5Very high112 Ų11254.8 Ų54.860%0.59929%0.285SS*.THydrogen-bonded Turntrans-87.1-39.1-178.4-66.9-44.2000111.4D109D109-N111 VanDerWaalsContact C-N 3.28Å; D109-N111 PolarHBondContact O-N 2.87Å; D109-N111 WeakPolarHBondContact OD1-CA 3.41Å; D109-N111 WeakPolarHBondContact OD1-CB 3.44Å; D109-N111 PolarHBondContact OD1-N 2.81Å
112T94.9Very high96.6Very high78 Ų7856.8 Ų56.848%0.47931%0.307SS..THydrogen-bonded Turntrans-104.1-13.6-17664.20000113.5D109 R114D109-T112 WeakPolarHBondContact CB-OG1 3.35Å; D109-T112 PolarHBondContact OD1-N 3.34Å; D109-T112 PolarHBondContact OD1-OG1 2.93Å; T112-R114 PolarHBondContact O-N 3.02Å
113H95.2Very high96.8Very high68 Ų6858.6 Ų58.632%0.31532%0.322SS..THydrogen-bonded Turntrans54.836.3-173.4-58.9164.6000112.9Y27 L59 F108 D109 V110Y27-H113 PolarHBondContact OH-NE2 2.93Å; L59-H113 HydrophobicContact CD1-CB 4.23Å; F108-H113 HydrophobicContact CE2-CB 4.13Å; F108-H113 HydrophobicContact CZ-CB 3.73Å; F108-H113 AromaticContact CZ-CD2 3.92Å; F108-H113 AromaticContact CZ-CG 3.95Å; D109-H113 WeakPolarHBondContact O-CA 3.31Å; D109-H113 PolarHBondContact O-N 3.39Å; V110-H113 PolarHBondContact O-CD2 3.11Å; V110-H113 PolarHBondContact O-NE2 2.94Å
114R94Very high96.9Very high182 Ų18257.8 Ų57.869%0.68732%0.32SS*.EExtended strand (participates in β ladder)trans-104.5140.6178.6-66.3-175.5178.1-164.30.7110.9D109 T112D109-R114 PolarHBondContact N-O 2.86Å; T112-R114 PolarHBondContact O-N 3.02Å
115W96.4Very high96.9Very high24 Ų2455.2 Ų55.29%0.09131%0.305CS..EExtended strand (participates in β ladder)trans-88.8150.8170.5-69.596.4000110.8F29 I44 V46 E72 V73 P74 L91 A107 F108F29-W115 AromaticContact CD1-CH2 3.66Å; F29-W115 HydrophobicContact CD1-CH2 3.66Å; F29-W115 AromaticContact CD1-CZ2 3.73Å; F29-W115 HydrophobicContact CD1-CZ2 3.73Å; F29-W115 AromaticContact CE1-CH2 3.71Å; F29-W115 HydrophobicContact CE1-CH2 3.71Å; F29-W115 AromaticContact CE1-CZ2 3.73Å; F29-W115 HydrophobicContact CE1-CZ2 3.73Å; I44-W115 HydrophobicContact CG2-CH2 4.29Å; I44-W115 HydrophobicContact CG2-CZ2 3.76Å; V46-W115 HydrophobicContact CG2-CZ2 3.86Å; E72-W115 WeakPolarHBondContact O-CB 3.18Å; V73-W115 HydrophobicContact CG1-CG 4.42Å; V73-W115 HydrophobicContact CG2-CB 3.98Å; V73-W115 HydrophobicContact CG2-CG 4.08Å; P74-W115 VanDerWaalsContact CD-CD2 3.49Å; P74-W115 VanDerWaalsContact CD-CE3 3.5Å; P74-W115 HydrophobicContact CG-CD2 4.15Å; P74-W115 HydrophobicContact CG-CE3 3.73Å; P74-W115 HydrophobicContact CG-CH2 3.68Å; P74-W115 HydrophobicContact CG-CZ2 4.09Å; P74-W115 HydrophobicContact CG-CZ3 3.48Å; P74-W115 VanDerWaalsContact CG-CZ3 3.48Å; L91-W115 HydrophobicContact CB-CZ3 4.45Å; L91-W115 HydrophobicContact CD1-CH2 4.18Å; A107-W115 CarbonylContact O-C 3.53Å; A107-W115 WeakPolarHBondContact O-CA 3.46Å; F108-W115 HydrophobicContact CB-CD2 4.2Å; F108-W115 HydrophobicContact CB-CE3 3.85Å; F108-W115 HydrophobicContact CB-CH2 3.95Å; F108-W115 HydrophobicContact CB-CZ2 4.28Å; F108-W115 HydrophobicContact CB-CZ3 3.73Å; F108-W115 AromaticContact CD2-CD1 3.98Å; F108-W115 AromaticContact CD2-CD2 3.75Å; F108-W115 HydrophobicContact CD2-CD2 3.75Å; F108-W115 AromaticContact CD2-CE2 3.45Å; F108-W115 VanDerWaalsContact CD2-CE2 3.45Å; F108-W115 HydrophobicContact CD2-CE3 4.28Å; F108-W115 HydrophobicContact CD2-CG 4.1Å; F108-W115 HydrophobicContact CD2-CH2 4.32Å; F108-W115 AromaticContact CD2-CZ2 3.79Å; F108-W115 HydrophobicContact CD2-CZ2 3.79Å; F108-W115 AromaticContact CD2-NE1 3.62Å; F108-W115 HydrophobicContact CE2-CZ2 4.49Å; F108-W115 AromaticContact CE2-NE1 3.89Å; F108-W115 HydrophobicContact CG-CD2 4.45Å; F108-W115 HydrophobicContact CG-CH2 4.39Å; F108-W115 HydrophobicContact CG-CZ2 4.27Å
116S95.1Very high96.8Very high56 Ų5656.4 Ų56.439%0.39232%0.317SS..EExtended strand (participates in β ladder)trans-149.116316859.60000110.1A107A107-S116 PolarHBondContact N-O 3.44Å; A107-S116 PolarHBondContact O-N 2.82Å
117T96.5Very high96.8Very high56 Ų5656.3 Ų56.334%0.34432%0.32SS..  trans-117.991.8174.443.40000109.5V104 Y106 K119V104-T117 HydrophobicContact CG1-CG2 3.96Å; Y106-T117 HydrophobicContact CD1-CG2 3.54Å; Y106-T117 HydrophobicContact CE1-CG2 3.64Å; Y106-T117 HydrophobicContact CG-CG2 4.42Å; T117-K119 PolarHBondContact O-N 3.17Å
118P95.6Very high96.8Very high30 Ų3056.2 Ų56.220%0.19532%0.319CS..  trans-57.6141.3178.4-2333.3000111.3Y90 L105 A107 I120 M165Y90-P118 HydrophobicContact CE1-CG 4.42Å; L105-P118 HydrophobicContact CD2-CB 4.41Å; L105-P118 HydrophobicContact CD2-CG 4.37Å; A107-P118 HydrophobicContact CB-CG 3.73Å; P118-I120 PolarHBondContact O-N 3.42Å; P118-M165 HydrophobicContact CB-CE 4.01Å; P118-M165 HydrophobicContact CB-CG 4.23Å; P118-M165 HydrophobicContact CB-SD 3.89Å; P118-M165 HydrophobicContact CG-CE 4.19Å; P118-M165 HydrophobicContact CG-SD 4.44Å
119K96.1Very high96.8Very high203 Ų20356.1 Ų56.188%0.88332%0.318SS*.  trans-69.9115.4171.8-68.6-174.7-178.9179.90108.8T117 M165T117-K119 PolarHBondContact O-N 3.17Å; K119-M165 WeakPolarHBondContact O-CB 3.32Å
120I97.9Very high96.8Very high47 Ų4753.9 Ų53.924%0.24131%0.307CS..  trans-102.6154.1177.161.8176000111.1W92 L105 P118 V124 M165W92-I120 HydrophobicContact CH2-CD1 4.16Å; W92-I120 HydrophobicContact CZ3-CD1 3.86Å; L105-I120 HydrophobicContact CB-CD1 4.35Å; L105-I120 HydrophobicContact CB-CG2 3.96Å; L105-I120 HydrophobicContact CD2-CG2 3.52Å; L105-I120 HydrophobicContact CG-CG2 4.4Å; P118-I120 PolarHBondContact O-N 3.42Å; I120-V124 HydrophobicContact CD1-CG1 3.75Å; I120-V124 HydrophobicContact CD1-CG2 4.14Å; I120-V124 HydrophobicContact CG1-CG2 4.28Å; I120-M165 WeakPolarHBondContact CA-O 3.16Å
121S98.6Very high96.9Very high64 Ų6453.8 Ų53.845%0.44831%0.306SS..EExtended strand (participates in β ladder)trans-147.1-178.917563.10000111.6M165 W167S121-M165 PolarHBondContact N-O 2.97Å; S121-W167 PolarHBondContact O-N 2.8Å
122G98.4Very high97.1Very high57 Ų5748.8 Ų48.859%0.58828%0.28SS*.EExtended strand (participates in β ladder)trans87.1-148-179.400000113V124 W167G122-V124 VanDerWaalsContact C-N 3.26Å; G122-V124 PolarHBondContact O-N 2.85Å; G122-W167 WeakPolarHBondContact CA-O 3.48Å
123A98.3Very high97.2Very high43 Ų4346.1 Ų46.136%0.35527%0.265SS..SBendtrans-82.671.7-178.800000110.6H158 W167 L169A123-H158 PolarHBondContact O-CE1 2.82Å; A123-H158 VanDerWaalsContact O-CE1 3.31Å; A123-H158 PolarHBondContact O-ND1 3.48Å; A123-W167 PolarHBondContact N-O 2.83Å; A123-W167 WeakPolarHBondContact O-CB 3.29Å; A123-L169 HydrophobicContact CB-CB 3.96Å
124V98.1Very high97.4Very high54 Ų5443.3 Ų43.333%0.32725%0.254SS..PPolyproline II helixtrans-64.3125.8-178.3-176.20000109.9W92 I120 G122W92-V124 HydrophobicContact CH2-CG1 3.71Å; W92-V124 HydrophobicContact CZ2-CG1 4.44Å; I120-V124 HydrophobicContact CD1-CG1 3.75Å; I120-V124 HydrophobicContact CD1-CG2 4.14Å; I120-V124 HydrophobicContact CG1-CG2 4.28Å; G122-V124 VanDerWaalsContact C-N 3.26Å; G122-V124 PolarHBondContact O-N 2.85Å
125P97.5Very high97.6Very high2 Ų237 Ų371%0.01324%0.235CC..PPolyproline II helixtrans-62.4149177.9-5.911.8000112.5W92 I142 H158 W167W92-P125 HydrophobicContact CH2-CG 4.33Å; W92-P125 HydrophobicContact CZ2-CB 3.83Å; W92-P125 HydrophobicContact CZ2-CG 3.58Å; P125-I142 HydrophobicContact CB-CD1 3.68Å; P125-I142 HydrophobicContact CG-CD1 3.39Å; P125-I142 HydrophobicContact CG-CG1 4.37Å; P125-H158 HydrophobicContact CB-CB 4.48Å; P125-H158 HydrophobicContact CG-CB 3.75Å; P125-W167 HydrophobicContact CG-CD2 4.08Å; P125-W167 HydrophobicContact CG-CE3 3.94Å; P125-W167 HydrophobicContact CG-CH2 4.34Å; P125-W167 HydrophobicContact CG-CZ2 4.46Å; P125-W167 HydrophobicContact CG-CZ3 4.08Å
126G96.3Very high97.7Very high27 Ų2738.4 Ų38.428%0.27824%0.244SC..PPolyproline II helixtrans-63.5158.9172.500000112.7R128 E147G126-R128 WeakPolarHBondContact O-CG 3.37Å; G126-R128 PolarHBondContact O-N 2.93Å; G126-R128 PolarHBondContact O-NE 2.89Å; G126-E147 WeakPolarHBondContact CA-OE2 3.35Å
127A97.4Very high97.7Very high13 Ų1338.6 Ų38.611%0.10726%0.255CS..SBendtrans-62.5124.6178.300000111.5A101 C102 N103 E147 Q148A101-A127 HydrophobicContact CB-CB 3.93Å; A101-A127 WeakPolarHBondContact O-CB 3.42Å; C102-A127 WeakPolarHBondContact O-CA 3.38Å; N103-A127 HydrophobicContact CB-CB 4.12Å; A127-E147 WeakPolarHBondContact O-CA 3.09Å; A127-Q148 PolarHBondContact O-N 2.88Å
128R98Very high97.8Very high1 Ų141.1 Ų41.10%0.00426%0.262CS..EExtended strand (participates in β ladder)trans-155.3160.4-167.665.2-174.168.6-174.7-6.8114.1G93 G94 C102 G126 Y146 E147 D156G93-R128 CarbonylContact C-O 3.48Å; G93-R128 VanDerWaalsContact CA-O 3.29Å; G93-R128 WeakPolarHBondContact CA-O 3.4Å; G94-R128 PolarHBondContact N-O 3Å; C102-R128 PolarHBondContact O-N 2.73Å; G126-R128 WeakPolarHBondContact O-CG 3.37Å; G126-R128 PolarHBondContact O-N 2.93Å; G126-R128 PolarHBondContact O-NE 2.89Å; R128-Y146 WeakPolarHBondContact CA-O 3.39Å; R128-Y146 WeakPolarHBondContact CB-O 3.08Å; R128-E147 HydrophobicContact CB-CG 4.15Å; R128-E147 IonicContact CZ-OE1 3.44Å; R128-E147 IonicContact CZ-OE2 3.33Å; R128-E147 IonicContact NH2-OE1 2.7Å; R128-E147 PolarHBondContact NH2-OE1 2.89Å; R128-E147 IonicContact NH2-OE2 2.95Å; R128-E147 PolarHBondContact NH2-OE2 3.46Å; R128-D156 IonicContact CZ-OD1 2.69Å; R128-D156 IonicContact CZ-OD2 3.7Å; R128-D156 VanDerWaalsContact NH1-CG 3.33Å; R128-D156 IonicContact NH1-OD1 2.71Å; R128-D156 PolarHBondContact NH1-OD1 3.06Å; R128-D156 IonicContact NH1-OD2 2.7Å; R128-D156 PolarHBondContact NH1-OD2 3.1Å; R128-D156 VanDerWaalsContact NH1-OD2 3.15Å; R128-D156 IonicContact NH2-OD1 2.65Å; R128-D156 IonicContact NH2-OD2 3.45Å; R128-D156 PolarHBondContact NH2-OD2 2.8Å
129D98.1Very high97.9Very high0 Ų039.8 Ų39.80%025%0.253CS..EExtended strand (participates in β ladder)trans-141.4169.7171.678.1-70.9000111.1G79 R95 H131 G145 Y146G79-D129 WeakPolarHBondContact O-CA 3.5Å; G79-D129 WeakPolarHBondContact O-CB 3.33Å; R95-D129 HydrophobicContact CG-CB 4.38Å; R95-D129 IonicContact CZ-OD1 2.6Å; R95-D129 IonicContact CZ-OD2 2.66Å; R95-D129 IonicContact NE-OD1 2.78Å; R95-D129 PolarHBondContact NE-OD1 2.91Å; R95-D129 IonicContact NE-OD2 3.15Å; R95-D129 PolarHBondContact NE-OD2 2.94Å; R95-D129 IonicContact NH1-OD1 2.94Å; R95-D129 IonicContact NH1-OD2 3.41Å; R95-D129 PolarHBondContact NH1-OD2 2.96Å; R95-D129 IonicContact NH2-OD1 3.97Å; R95-D129 PolarHBondContact NH2-OD1 2.88Å; R95-D129 IonicContact NH2-OD2 3.06Å; R95-D129 PolarHBondContact NH2-OD2 2.85Å; D129-H131 PolarHBondContact O-N 3.21Å; D129-G145 CarbonylContact O-C 3.55Å; D129-G145 VanDerWaalsContact O-CA 3.28Å; D129-G145 WeakPolarHBondContact O-CA 3.15Å; D129-Y146 PolarHBondContact N-O 2.79Å; D129-Y146 PolarHBondContact O-N 2.9Å
130G98.2Very high98Very high4 Ų430.1 Ų30.14%0.04121%0.211CC..SBendtrans65.59.3-177.800000113.5G79 D181 F182G79-G130 PolarHBondContact O-N 2.95Å; G130-D181 CarbonylContact O-C 3.6Å; G130-D181 WeakPolarHBondContact O-CA 3.39Å; G130-F182 PolarHBondContact O-N 3.36Å
131H98.8Very high98.1Very high8 Ų828.6 Ų28.64%0.03720%0.202CC..  trans-72.7164.4168.266.1-80000109.6T81 W92 D129 G144T81-H131 WeakPolarHBondContact CG2-NE2 3.34Å; T81-H131 WeakPolarHBondContact CG2-O 3.26Å; T81-H131 PolarHBondContact OG1-NE2 3.25Å; W92-H131 AromaticContact CD1-CE1 3.83Å; W92-H131 AromaticContact CD1-NE2 3.49Å; W92-H131 PolarHBondContact O-CE1 2.92Å; W92-H131 VanDerWaalsContact O-CE1 3.27Å; W92-H131 PolarHBondContact O-NE2 2.95Å; D129-H131 PolarHBondContact O-N 3.21Å; H131-G144 WeakPolarHBondContact CB-O 3.42Å
132S98.8Very high98.1Very high8 Ų825.6 Ų25.66%0.05618%0.181CC..EExtended strand (participates in β ladder)trans-106.2155.5170.161.20000110.5I142 F143 H183 A185S132-I142 VanDerWaalsContact O-CA 3.24Å; S132-I142 WeakPolarHBondContact O-CA 3.41Å; S132-F143 PolarHBondContact N-O 3.29Å; S132-F143 VanDerWaalsContact N-O 3.14Å; S132-F143 PolarHBondContact O-N 2.81Å; S132-F143 VanDerWaalsContact O-N 3.09Å; S132-H183 WeakPolarHBondContact CB-NE2 3.26Å; S132-H183 PolarHBondContact OG-CD2 2.84Å; S132-H183 PolarHBondContact OG-NE2 2.99Å; S132-A185 WeakPolarHBondContact OG-CB 3.37Å
133A98.6Very high98.1Very high21 Ų2122.9 Ų22.917%0.17415%0.153CC..EExtended strand (participates in β ladder)trans-132.6143.9172.100000110.8T81 V83 M140 Y141 I142T81-A133 HydrophobicContact CG2-CB 3.96Å; T81-A133 VanDerWaalsContact OG1-CB 3.29Å; T81-A133 WeakPolarHBondContact OG1-CB 3.15Å; V83-A133 HydrophobicContact CG1-CB 3.71Å; A133-M140 HydrophobicContact CB-CE 3.56Å; A133-Y141 CarbonylContact C-O 3.55Å; A133-Y141 WeakPolarHBondContact CA-O 3.37Å; A133-I142 HydrophobicContact CB-CG2 4.1Å
134C98.1Very high98.1Very high10 Ų1020.9 Ų20.97%0.06814%0.136CC..EExtended strand (participates in β ladder)trans-148.9164.9176.552.40000110.5Y141 I187C134-Y141 PolarHBondContact N-O 2.87Å; C134-Y141 PolarHBondContact O-N 3.43Å; C134-I187 HydrophobicContact CB-CD1 4.03Å; C134-I187 HydrophobicContact CB-CG1 3.99Å; C134-I187 WeakPolarHBondContact SG-CD1 3.36Å; C134-I187 VanDerWaalsContact SG-CG1 3.58Å
135V98.3Very high98.1Very high50 Ų5018.3 Ų18.330%0.30312%0.121SC..EExtended strand (participates in β ladder)trans-120.6139.6-171.9170.90000110.6V83 L85 A139V83-V135 HydrophobicContact CB-CG2 3.59Å; V83-V135 HydrophobicContact CG1-CG2 4.01Å; V83-V135 HydrophobicContact CG2-CG2 3.87Å; L85-V135 HydrophobicContact CD1-CG2 4.3Å; L85-V135 HydrophobicContact CD2-CG1 3.43Å; L85-V135 VanDerWaalsContact CD2-CG1 3.43Å; L85-V135 HydrophobicContact CD2-CG2 4.39Å; L85-V135 HydrophobicContact CG-CG1 4.01Å; L85-V135 HydrophobicContact CG-CG2 4.06Å; V135-A139 WeakPolarHBondContact CA-O 3.25Å
136L98.1Very high98.1Very high52 Ų5220.3 Ų20.327%0.27213%0.128SC..EExtended strand (participates in β ladder)trans-142118.4166.6179.264.7000109.4K138 A139 Y141 I187 T221L136-K138 PolarHBondContact O-N 2.95Å; L136-A139 PolarHBondContact N-O 2.81Å; L136-A139 PolarHBondContact O-N 3.42Å; L136-A139 VanDerWaalsContact O-N 3.17Å; L136-Y141 HydrophobicContact CB-CD2 4.45Å; L136-Y141 HydrophobicContact CB-CE2 3.93Å; L136-I187 HydrophobicContact CB-CD1 3.91Å; L136-I187 HydrophobicContact CB-CG2 4.39Å; L136-I187 HydrophobicContact CD1-CG2 4.23Å; L136-T221 HydrophobicContact CD2-CG2 4.23Å; L136-T221 WeakPolarHBondContact CD2-OG1 3.37Å
137G96.9Very high98.1Very high61 Ų6120.7 Ų20.763%0.62912%0.123SC*.THydrogen-bonded Turntrans59-131.3-172.600000111.3L85 A139L85-G137 WeakPolarHBondContact CD2-O 3.37Å; G137-A139 VanDerWaalsContact C-N 3.29Å; G137-A139 PolarHBondContact O-N 2.94Å
138K97Very high97.8Very high109 Ų10924.2 Ų24.247%0.47414%0.137SC..THydrogen-bonded Turntrans-93.332.2175.3-62.8-166.5173.3-162.80113.4D86 L136 T162 T163D86-K138 IonicContact OD2-NZ 2.68Å; L136-K138 PolarHBondContact O-N 2.95Å; K138-T162 PolarHBondContact O-N 2.99Å; K138-T162 PolarHBondContact O-OG1 2.65Å; K138-T163 WeakPolarHBondContact CD-OG1 3.46Å
139A98.4Very high97.5Very high1 Ų132.1 Ų32.11%0.00818%0.178CC..EExtended strand (participates in β ladder)trans-129.7137.2-177.700000112.1V135 L136 G137 Y141 R159 L160V135-A139 WeakPolarHBondContact CA-O 3.25Å; L136-A139 PolarHBondContact N-O 2.81Å; L136-A139 PolarHBondContact O-N 3.42Å; L136-A139 VanDerWaalsContact O-N 3.17Å; G137-A139 VanDerWaalsContact C-N 3.29Å; G137-A139 PolarHBondContact O-N 2.94Å; A139-Y141 HydrophobicContact CB-CD2 4.44Å; A139-Y141 HydrophobicContact CB-CE2 3.85Å; A139-R159 HydrophobicContact CB-CG 3.97Å; A139-L160 CarbonylContact C-O 3.56Å; A139-L160 WeakPolarHBondContact CA-O 3.49Å; A139-L160 WeakPolarHBondContact CB-O 3.1Å
140M98.7Very high97.3Very high0 Ų034.7 Ų34.70%020%0.2CC..EExtended strand (participates in β ladder)trans-96.4129.5168.1172.4-177.8-179.900108.5V83 L85 W92 A133 I142 R159 L160 W167V83-M140 HydrophobicContact CG2-CB 4.14Å; V83-M140 HydrophobicContact CG2-CE 4.33Å; V83-M140 HydrophobicContact CG2-CG 3.83Å; V83-M140 HydrophobicContact CG2-SD 3.68Å; L85-M140 HydrophobicContact CD1-CB 4.17Å; W92-M140 HydrophobicContact CB-CE 3.72Å; W92-M140 HydrophobicContact CG-CE 4.46Å; A133-M140 HydrophobicContact CB-CE 3.56Å; M140-I142 HydrophobicContact CE-CG2 3.46Å; M140-I142 VanDerWaalsContact CE-CG2 3.46Å; M140-I142 HydrophobicContact CG-CG2 4.4Å; M140-R159 CarbonylContact O-C 3.54Å; M140-R159 WeakPolarHBondContact O-CA 3.22Å; M140-L160 HydrophobicContact CB-CB 4.29Å; M140-L160 PolarHBondContact N-O 3.46Å; M140-L160 PolarHBondContact O-N 2.69Å; M140-W167 HydrophobicContact SD-CH2 4.36Å
141Y98.8Very high97.2Very high16 Ų1638.5 Ų38.56%0.06322%0.219CC..EExtended strand (participates in β ladder)trans-108.3133.2172-69-105.5000108.7A133 C134 L136 A139 I157 H158 R159 I187 M192 T221A133-Y141 CarbonylContact C-O 3.55Å; A133-Y141 WeakPolarHBondContact CA-O 3.37Å; C134-Y141 PolarHBondContact N-O 2.87Å; C134-Y141 PolarHBondContact O-N 3.43Å; L136-Y141 HydrophobicContact CB-CD2 4.45Å; L136-Y141 HydrophobicContact CB-CE2 3.93Å; A139-Y141 HydrophobicContact CB-CD2 4.44Å; A139-Y141 HydrophobicContact CB-CE2 3.85Å; Y141-I157 HydrophobicContact CD1-CG2 4.1Å; Y141-H158 CarbonylContact C-O 3.59Å; Y141-H158 WeakPolarHBondContact CA-O 3.47Å; Y141-R159 HydrophobicContact CD1-CB 4.15Å; Y141-R159 HydrophobicContact CD1-CG 4.34Å; Y141-R159 HydrophobicContact CE1-CB 4.02Å; Y141-R159 HydrophobicContact CE1-CG 3.95Å; Y141-R159 HydrophobicContact CE2-CG 4.11Å; Y141-R159 WeakPolarHBondContact OH-CD 3.45Å; Y141-R159 PolarHBondContact OH-NE 2.77Å; Y141-I187 HydrophobicContact CD2-CD1 4.12Å; Y141-I187 HydrophobicContact CG-CD1 4.46Å; Y141-M192 HydrophobicContact CD1-CE 4Å; Y141-M192 HydrophobicContact CG-CE 4Å; Y141-T221 HydrophobicContact CE1-CG2 4.3Å
142I98.8Very high97.1Very high0 Ų039 Ų390%022%0.223CC..EExtended strand (participates in β ladder)trans-115146.1167.766.7170.4000110.2P125 S132 A133 M140 I157 H158 W167P125-I142 HydrophobicContact CB-CD1 3.68Å; P125-I142 HydrophobicContact CG-CD1 3.39Å; P125-I142 HydrophobicContact CG-CG1 4.37Å; S132-I142 VanDerWaalsContact O-CA 3.24Å; S132-I142 WeakPolarHBondContact O-CA 3.41Å; A133-I142 HydrophobicContact CB-CG2 4.1Å; M140-I142 HydrophobicContact CE-CG2 3.46Å; M140-I142 VanDerWaalsContact CE-CG2 3.46Å; M140-I142 HydrophobicContact CG-CG2 4.4Å; I142-I157 WeakPolarHBondContact O-CA 3.26Å; I142-H158 HydrophobicContact CD1-CB 4.13Å; I142-H158 HydrophobicContact CG1-CB 3.71Å; I142-H158 PolarHBondContact N-O 3.24Å; I142-H158 PolarHBondContact O-N 3.38Å; I142-H158 VanDerWaalsContact O-N 3.08Å; I142-W167 HydrophobicContact CD1-CH2 4.25Å; I142-W167 HydrophobicContact CD1-CZ3 4.24Å; I142-W167 HydrophobicContact CG1-CH2 4.36Å; I142-W167 HydrophobicContact CG1-CZ3 4.07Å; I142-W167 HydrophobicContact CG2-CH2 4.12Å; I142-W167 HydrophobicContact CG2-CZ3 4.47Å
143F98.8Very high97Very high1 Ų138.8 Ų38.80%0.00422%0.222CC..EExtended strand (participates in β ladder)trans-135.5133.4177.3174.8-108.8000111.1S132 N155 D156 I157 A177 R180 H183 M192 V194 W226S132-F143 PolarHBondContact N-O 3.29Å; S132-F143 VanDerWaalsContact N-O 3.14Å; S132-F143 PolarHBondContact O-N 2.81Å; S132-F143 VanDerWaalsContact O-N 3.09Å; F143-N155 HydrophobicContact CE2-CB 4.09Å; F143-N155 VanDerWaalsContact CE2-O 3.27Å; F143-N155 WeakPolarHBondContact CE2-O 3.46Å; F143-N155 HydrophobicContact CZ-CB 4.18Å; F143-D156 WeakPolarHBondContact CA-O 3.43Å; F143-D156 WeakPolarHBondContact CD2-O 3.4Å; F143-I157 HydrophobicContact CD2-CD1 4.44Å; F143-I157 HydrophobicContact CD2-CG1 3.56Å; F143-I157 HydrophobicContact CE2-CG1 4.3Å; F143-I157 HydrophobicContact CG-CG1 4.44Å; F143-A177 HydrophobicContact CE1-CB 4.01Å; F143-A177 HydrophobicContact CE2-CB 4.42Å; F143-A177 HydrophobicContact CZ-CB 3.51Å; F143-R180 HydrophobicContact CE1-CG 4.23Å; F143-H183 AromaticContact CD1-CD2 3.85Å; F143-H183 AromaticContact CD1-CE1 3.92Å; F143-H183 AromaticContact CD1-NE2 3.2Å; F143-H183 WeakPolarHBondContact CD1-NE2 3.48Å; F143-H183 AromaticContact CE1-NE2 3.81Å; F143-H183 PolarHBondContact O-CE1 2.87Å; F143-H183 PolarHBondContact O-NE2 2.98Å; F143-M192 HydrophobicContact CB-SD 4.28Å; F143-V194 HydrophobicContact CD1-CG1 4.02Å; F143-V194 HydrophobicContact CD1-CG2 3.75Å; F143-V194 HydrophobicContact CE1-CB 4.44Å; F143-V194 HydrophobicContact CE1-CG1 3.65Å; F143-V194 HydrophobicContact CE1-CG2 4.02Å; F143-V194 HydrophobicContact CG-CG2 4.47Å; F143-W226 HydrophobicContact CD2-CH2 4.41Å; F143-W226 HydrophobicContact CD2-CZ2 4.07Å; F143-W226 HydrophobicContact CE1-CH2 4.44Å; F143-W226 AromaticContact CE2-CH2 3.97Å; F143-W226 HydrophobicContact CE2-CH2 3.97Å; F143-W226 AromaticContact CE2-CZ2 3.55Å; F143-W226 HydrophobicContact CE2-CZ2 3.55Å; F143-W226 HydrophobicContact CZ-CH2 4.04Å; F143-W226 HydrophobicContact CZ-CZ2 4.02Å
144G98.4Very high97Very high0 Ų038.2 Ų38.20%022%0.216CC..EExtended strand (participates in β ladder)trans60.8-142.9172.800000115H131 S154 D156H131-G144 WeakPolarHBondContact CB-O 3.42Å; G144-S154 WeakPolarHBondContact CA-O 3.34Å; G144-D156 PolarHBondContact N-O 3Å
145G98.3Very high96.9Very high0 Ų040.2 Ų40.20%023%0.226CC..EExtended strand (participates in β ladder)trans99.9-178-17200000112.5D129 F153 S154 R180D129-G145 CarbonylContact O-C 3.55Å; D129-G145 VanDerWaalsContact O-CA 3.28Å; D129-G145 WeakPolarHBondContact O-CA 3.15Å; G145-F153 CarbonylContact O-C 3.46Å; G145-F153 WeakPolarHBondContact O-CA 3.34Å; G145-S154 PolarHBondContact O-N 2.8Å; G145-R180 PolarHBondContact N-O 3.37Å
146Y97.8Very high96.9Very high44 Ų4439.2 Ų39.217%0.17322%0.219CC..EExtended strand (participates in β ladder)trans-108.3122.9174175.6-97.1000109.5R128 D129 Q148 D151 C152 F153R128-Y146 WeakPolarHBondContact CA-O 3.39Å; R128-Y146 WeakPolarHBondContact CB-O 3.08Å; D129-Y146 PolarHBondContact N-O 2.79Å; D129-Y146 PolarHBondContact O-N 2.9Å; Y146-Q148 HydrophobicContact CE1-CB 4.38Å; Y146-D151 PolarHBondContact OH-OD1 2.8Å; Y146-C152 WeakPolarHBondContact CA-O 3.36Å; Y146-F153 HydrophobicContact CD2-CD1 4Å; Y146-F153 AromaticContact CD2-CE1 3.98Å; Y146-F153 HydrophobicContact CD2-CE1 3.98Å
147E96.8Very high96.9Very high35 Ų3536.9 Ų36.916%0.16421%0.207CC..EExtended strand (participates in β ladder)trans-95.4105.3-179.5-63.5-166.3-114.100109.4G126 A127 R128 L149 A150 D151 C152 S154G126-E147 WeakPolarHBondContact CA-OE2 3.35Å; A127-E147 WeakPolarHBondContact O-CA 3.09Å; R128-E147 HydrophobicContact CB-CG 4.15Å; R128-E147 IonicContact CZ-OE1 3.44Å; R128-E147 IonicContact CZ-OE2 3.33Å; R128-E147 IonicContact NH2-OE1 2.7Å; R128-E147 PolarHBondContact NH2-OE1 2.89Å; R128-E147 IonicContact NH2-OE2 2.95Å; R128-E147 PolarHBondContact NH2-OE2 3.46Å; E147-L149 PolarHBondContact O-N 2.99Å; E147-A150 HydrophobicContact CB-CB 4.35Å; E147-A150 PolarHBondContact O-N 3.48Å; E147-D151 PolarHBondContact O-N 3.49Å; E147-C152 PolarHBondContact N-O 2.83Å; E147-C152 PolarHBondContact O-N 3.47Å; E147-S154 VanDerWaalsContact OE1-CB 3.23Å; E147-S154 WeakPolarHBondContact OE1-CB 3.25Å; E147-S154 PolarHBondContact OE1-OG 2.87Å
148Q90.3Very high97Very high87 Ų8734.5 Ų34.541%0.40718%0.179SC..G310 helixtrans-62.4-41.7-169-176.8-1802.800113A101 A127 Y146 A150 D151A101-Q148 HydrophobicContact CB-CB 3.91Å; A127-Q148 PolarHBondContact O-N 2.88Å; Y146-Q148 HydrophobicContact CE1-CB 4.38Å; Q148-A150 VanDerWaalsContact C-N 3.3Å; Q148-A150 PolarHBondContact O-N 2.95Å; Q148-D151 PolarHBondContact O-N 2.86Å
149L92.3Very high97.1Very high167 Ų16732.5 Ų32.587%0.87417%0.169SC*.G310 helixtrans-67.8-31.2-177.7-68.4176.8000112.9E147E147-L149 PolarHBondContact O-N 2.99Å
150A93.8Very high97.1Very high54 Ų5432.4 Ų32.445%0.44617%0.168SC..G310 helixtrans-92.3-4.9177.700000112.6E147 Q148 C152E147-A150 HydrophobicContact CB-CB 4.35Å; E147-A150 PolarHBondContact O-N 3.48Å; Q148-A150 VanDerWaalsContact C-N 3.3Å; Q148-A150 PolarHBondContact O-N 2.95Å; A150-C152 VanDerWaalsContact CB-SG 3.59Å; A150-C152 PolarHBondContact O-N 2.92Å
151D94.6Very high97.1Very high84 Ų8434 Ų3445%0.44918%0.177SC..THydrogen-bonded Turntrans47.644.9-174.3-172.419.9000112.9Y146 E147 Q148 F205Y146-D151 PolarHBondContact OH-OD1 2.8Å; E147-D151 PolarHBondContact O-N 3.49Å; Q148-D151 PolarHBondContact O-N 2.86Å; D151-F205 VanDerWaalsContact O-CD1 3.29Å; D151-F205 WeakPolarHBondContact O-CD1 3.24Å
152C96.9Very high97Very high19 Ų1934 Ų3413%0.12818%0.178CC..EExtended strand (participates in β ladder)trans-143.5150.9-173.1770000113.6Y146 E147 A150 P204 F205Y146-C152 WeakPolarHBondContact CA-O 3.36Å; E147-C152 PolarHBondContact N-O 2.83Å; E147-C152 PolarHBondContact O-N 3.47Å; A150-C152 VanDerWaalsContact CB-SG 3.59Å; A150-C152 PolarHBondContact O-N 2.92Å; C152-P204 CarbonylContact C-O 3.58Å; C152-P204 WeakPolarHBondContact CA-O 3.45Å; C152-P204 HydrophobicContact CB-CB 4.24Å; C152-F205 HydrophobicContact CB-CD1 3.91Å; C152-F205 HydrophobicContact CB-CE1 3.79Å; C152-F205 HydrophobicContact CB-CZ 4.45Å
153F97.8Very high97Very high4 Ų438.6 Ų38.62%0.01821%0.207CC..EExtended strand (participates in β ladder)trans-74.5134.7165.6-57.8-66.9000109.4G145 Y146 W179 D181 D200 P204G145-F153 CarbonylContact O-C 3.46Å; G145-F153 WeakPolarHBondContact O-CA 3.34Å; Y146-F153 HydrophobicContact CD2-CD1 4Å; Y146-F153 AromaticContact CD2-CE1 3.98Å; Y146-F153 HydrophobicContact CD2-CE1 3.98Å; F153-W179 HydrophobicContact CB-CB 3.75Å; F153-W179 HydrophobicContact CB-CG 4.32Å; F153-W179 VanDerWaalsContact O-CB 3.24Å; F153-W179 WeakPolarHBondContact O-CB 3.47Å; F153-D181 HydrophobicContact CD1-CB 4.11Å; F153-D181 HydrophobicContact CE1-CB 4.25Å; F153-D200 HydrophobicContact CD2-CB 4.19Å; F153-D200 HydrophobicContact CE2-CB 3.98Å; F153-P204 WeakPolarHBondContact CD2-O 3.48Å; F153-P204 PolarHBondContact N-O 3.29Å; F153-P204 WeakPolarHBondContact O-CB 3.06Å
154S97.7Very high96.9Very high9 Ų942.7 Ų42.76%0.06323%0.232CC..EExtended strand (participates in β ladder)trans-99.7155.5176.9-169.30000112.1G144 G145 E147 D156 W179 R180G144-S154 WeakPolarHBondContact CA-O 3.34Å; G145-S154 PolarHBondContact O-N 2.8Å; E147-S154 VanDerWaalsContact OE1-CB 3.23Å; E147-S154 WeakPolarHBondContact OE1-CB 3.25Å; E147-S154 PolarHBondContact OE1-OG 2.87Å; S154-D156 PolarHBondContact OG-N 2.9Å; S154-D156 PolarHBondContact OG-OD1 2.86Å; S154-D156 PolarHBondContact OG-OD2 2.86Å; S154-D156 VanDerWaalsContact OG-OD2 3.11Å; S154-W179 VanDerWaalsContact O-CA 3.28Å; S154-W179 WeakPolarHBondContact O-CA 3.41Å; S154-R180 PolarHBondContact O-N 3.34Å; S154-R180 VanDerWaalsContact O-N 3.15Å
155N97.1Very high96.9Very high52 Ų5244.3 Ų44.328%0.27824%0.24SC..EExtended strand (participates in β ladder)trans-132.121.2165.168.2-19.7000112.1F143 A177 W179F143-N155 HydrophobicContact CE2-CB 4.09Å; F143-N155 VanDerWaalsContact CE2-O 3.27Å; F143-N155 WeakPolarHBondContact CE2-O 3.46Å; F143-N155 HydrophobicContact CZ-CB 4.18Å; N155-A177 WeakPolarHBondContact CB-O 3.4Å; N155-A177 PolarHBondContact ND2-O 3.46Å; N155-W179 HydrophobicContact CB-CB 4.33Å
156D97.6Very high96.9Very high28 Ų2846.5 Ų46.515%0.1525%0.253CS..EExtended strand (participates in β ladder)trans-68.1157.817363.319.2000111.2R128 F143 G144 S154 H158 L169R128-D156 IonicContact CZ-OD1 2.69Å; R128-D156 IonicContact CZ-OD2 3.7Å; R128-D156 VanDerWaalsContact NH1-CG 3.33Å; R128-D156 IonicContact NH1-OD1 2.71Å; R128-D156 PolarHBondContact NH1-OD1 3.06Å; R128-D156 IonicContact NH1-OD2 2.7Å; R128-D156 PolarHBondContact NH1-OD2 3.1Å; R128-D156 VanDerWaalsContact NH1-OD2 3.15Å; R128-D156 IonicContact NH2-OD1 2.65Å; R128-D156 IonicContact NH2-OD2 3.45Å; R128-D156 PolarHBondContact NH2-OD2 2.8Å; F143-D156 WeakPolarHBondContact CA-O 3.43Å; F143-D156 WeakPolarHBondContact CD2-O 3.4Å; G144-D156 PolarHBondContact N-O 3Å; S154-D156 PolarHBondContact OG-N 2.9Å; S154-D156 PolarHBondContact OG-OD1 2.86Å; S154-D156 PolarHBondContact OG-OD2 2.86Å; S154-D156 VanDerWaalsContact OG-OD2 3.11Å; D156-H158 VanDerWaalsContact CG-CD2 3.48Å; D156-H158 IonicContact OD1-CD2 3.64Å; D156-H158 IonicContact OD2-CD2 3.97Å; D156-H158 PolarHBondContact OD2-CD2 3.36Å; D156-H158 IonicContact OD2-NE2 3.46Å; D156-H158 PolarHBondContact OD2-NE2 2.93Å; D156-L169 HydrophobicContact CB-CD1 3.98Å
157I98.8Very high97Very high3 Ų344.5 Ų44.52%0.01525%0.245CC..EExtended strand (participates in β ladder)trans-119.8118.7167.5-60167000106.6Y141 I142 F143 I170 A172 F219 W226Y141-I157 HydrophobicContact CD1-CG2 4.1Å; I142-I157 WeakPolarHBondContact O-CA 3.26Å; F143-I157 HydrophobicContact CD2-CD1 4.44Å; F143-I157 HydrophobicContact CD2-CG1 3.56Å; F143-I157 HydrophobicContact CE2-CG1 4.3Å; F143-I157 HydrophobicContact CG-CG1 4.44Å; I157-I170 HydrophobicContact CB-CB 4.1Å; I157-I170 HydrophobicContact CB-CG1 4.39Å; I157-I170 HydrophobicContact CG2-CB 4.14Å; I157-I170 HydrophobicContact CG2-CG1 3.91Å; I157-I170 WeakPolarHBondContact O-CB 3.37Å; I157-I170 PolarHBondContact O-N 3.03Å; I157-A172 HydrophobicContact CD1-CB 4.43Å; I157-F219 HydrophobicContact CD1-CB 4.36Å; I157-F219 HydrophobicContact CD1-CD1 3.74Å; I157-F219 HydrophobicContact CD1-CD2 3.5Å; I157-F219 VanDerWaalsContact CD1-CD2 3.5Å; I157-F219 HydrophobicContact CD1-CE1 3.81Å; I157-F219 HydrophobicContact CD1-CE2 3.57Å; I157-F219 HydrophobicContact CD1-CG 3.58Å; I157-F219 HydrophobicContact CD1-CZ 3.72Å; I157-W226 HydrophobicContact CD1-CZ2 3.79Å; I157-W226 HydrophobicContact CG1-CZ2 4.4Å
158H98.8Very high97.1Very high12 Ų1245.2 Ų45.26%0.05625%0.254CS..EExtended strand (participates in β ladder)trans-108.4143169.7-72.6-107000110.2A123 P125 Y141 I142 D156 W167 S168A123-H158 PolarHBondContact O-CE1 2.82Å; A123-H158 VanDerWaalsContact O-CE1 3.31Å; A123-H158 PolarHBondContact O-ND1 3.48Å; P125-H158 HydrophobicContact CB-CB 4.48Å; P125-H158 HydrophobicContact CG-CB 3.75Å; Y141-H158 CarbonylContact C-O 3.59Å; Y141-H158 WeakPolarHBondContact CA-O 3.47Å; I142-H158 HydrophobicContact CD1-CB 4.13Å; I142-H158 HydrophobicContact CG1-CB 3.71Å; I142-H158 PolarHBondContact N-O 3.24Å; I142-H158 PolarHBondContact O-N 3.38Å; I142-H158 VanDerWaalsContact O-N 3.08Å; D156-H158 VanDerWaalsContact CG-CD2 3.48Å; D156-H158 IonicContact OD1-CD2 3.64Å; D156-H158 IonicContact OD2-CD2 3.97Å; D156-H158 PolarHBondContact OD2-CD2 3.36Å; D156-H158 IonicContact OD2-NE2 3.46Å; D156-H158 PolarHBondContact OD2-NE2 2.93Å; H158-W167 HydrophobicContact CB-CE3 3.75Å; H158-W167 HydrophobicContact CB-CZ3 3.86Å; H158-S168 WeakPolarHBondContact CA-O 3.34Å
159R98.8Very high97.5Very high66 Ų6645.1 Ų45.125%0.24926%0.256CS..EExtended strand (participates in β ladder)trans-118.9123.3175.4179.2-172.3171.6-87-4.5109.3A139 M140 Y141 D161 W167 S168 I170A139-R159 HydrophobicContact CB-CG 3.97Å; M140-R159 CarbonylContact O-C 3.54Å; M140-R159 WeakPolarHBondContact O-CA 3.22Å; Y141-R159 HydrophobicContact CD1-CB 4.15Å; Y141-R159 HydrophobicContact CD1-CG 4.34Å; Y141-R159 HydrophobicContact CE1-CB 4.02Å; Y141-R159 HydrophobicContact CE1-CG 3.95Å; Y141-R159 HydrophobicContact CE2-CG 4.11Å; Y141-R159 WeakPolarHBondContact OH-CD 3.45Å; Y141-R159 PolarHBondContact OH-NE 2.77Å; R159-D161 IonicContact CZ-OD2 2.7Å; R159-D161 IonicContact NH1-OD2 3.79Å; R159-D161 PolarHBondContact NH1-OD2 3.45Å; R159-D161 IonicContact NH2-OD2 3.68Å; R159-D161 PolarHBondContact NH2-OD2 3.24Å; R159-W167 VanDerWaalsContact C-CE3 3.48Å; R159-W167 CarbonylContact O-C 3.48Å; R159-W167 WeakPolarHBondContact O-CA 2.9Å; R159-S168 PolarHBondContact N-O 3.13Å; R159-S168 PolarHBondContact O-N 2.92Å; R159-I170 HydrophobicContact CB-CD1 3.9Å; R159-I170 HydrophobicContact CB-CG1 4.14Å
160L98.8Very high97.8Very high0 Ų038.2 Ų38.20%022%0.22CC..EExtended strand (participates in β ladder)trans-95.8122.7167.1176.161.9000108.8L105 A139 M140 T162 W167L105-L160 HydrophobicContact CD1-CD2 4.02Å; L105-L160 HydrophobicContact CD2-CD2 3.57Å; L105-L160 HydrophobicContact CG-CD2 4.46Å; A139-L160 CarbonylContact C-O 3.56Å; A139-L160 WeakPolarHBondContact CA-O 3.49Å; A139-L160 WeakPolarHBondContact CB-O 3.1Å; M140-L160 HydrophobicContact CB-CB 4.29Å; M140-L160 PolarHBondContact N-O 3.46Å; M140-L160 PolarHBondContact O-N 2.69Å; L160-T162 HydrophobicContact CD2-CG2 4.1Å; L160-T162 HydrophobicContact CG-CG2 4.18Å; L160-W167 HydrophobicContact CB-CD2 3.68Å; L160-W167 HydrophobicContact CB-CE3 3.6Å; L160-W167 HydrophobicContact CB-CG 4.47Å; L160-W167 HydrophobicContact CB-CH2 3.64Å; L160-W167 HydrophobicContact CB-CZ2 3.71Å; L160-W167 HydrophobicContact CB-CZ3 3.58Å; L160-W167 HydrophobicContact CD1-CD2 4.06Å; L160-W167 HydrophobicContact CD1-CG 4.07Å; L160-W167 HydrophobicContact CD2-CH2 4.39Å; L160-W167 HydrophobicContact CD2-CZ2 3.83Å; L160-W167 HydrophobicContact CG-CD2 4.37Å; L160-W167 HydrophobicContact CG-CZ2 4.23Å
161D98.4Very high97.9Very high33 Ų3342 Ų4218%0.17623%0.232CC..EExtended strand (participates in β ladder)trans-83.3115163.8-162.7-58.2000109.2R159 T163 T164 M165 V166R159-D161 IonicContact CZ-OD2 2.7Å; R159-D161 IonicContact NH1-OD2 3.79Å; R159-D161 PolarHBondContact NH1-OD2 3.45Å; R159-D161 IonicContact NH2-OD2 3.68Å; R159-D161 PolarHBondContact NH2-OD2 3.24Å; D161-T163 PolarHBondContact O-N 3.49Å; D161-T163 WeakPolarHBondContact OD1-CA 3.38Å; D161-T163 WeakPolarHBondContact OD1-CB 3.25Å; D161-T163 PolarHBondContact OD1-N 3Å; D161-T163 PolarHBondContact OD1-OG1 2.99Å; D161-T164 PolarHBondContact O-N 3.03Å; D161-T164 PolarHBondContact OD1-N 3.43Å; D161-M165 VanDerWaalsContact O-CA 3.22Å; D161-M165 WeakPolarHBondContact O-CA 3.36Å; D161-M165 PolarHBondContact O-N 3.12Å; D161-V166 PolarHBondContact N-O 2.65Å; D161-V166 PolarHBondContact O-N 3.44Å
162T97.4Very high98Very high15 Ų1540 Ų409%0.09223%0.228CC..THydrogen-bonded Turntrans-80.5-5.1-177.5580000113.5L85 Y90 K138 L160L85-T162 HydrophobicContact CD1-CG2 3.43Å; L85-T162 VanDerWaalsContact CD1-CG2 3.43Å; Y90-T162 HydrophobicContact CD2-CG2 4.23Å; Y90-T162 HydrophobicContact CE1-CG2 4.46Å; Y90-T162 HydrophobicContact CE2-CG2 3.86Å; K138-T162 PolarHBondContact O-N 2.99Å; K138-T162 PolarHBondContact O-OG1 2.65Å; L160-T162 HydrophobicContact CD2-CG2 4.1Å; L160-T162 HydrophobicContact CG-CG2 4.18Å
163T97.1Very high98Very high98 Ų9846.1 Ų46.160%0.60125%0.248SC*.THydrogen-bonded Turntrans-79-39.2171-47.80000110.6K138 D161K138-T163 WeakPolarHBondContact CD-OG1 3.46Å; D161-T163 PolarHBondContact O-N 3.49Å; D161-T163 WeakPolarHBondContact OD1-CA 3.38Å; D161-T163 WeakPolarHBondContact OD1-CB 3.25Å; D161-T163 PolarHBondContact OD1-N 3Å; D161-T163 PolarHBondContact OD1-OG1 2.99Å
164T98.1Very high97.9Very high86 Ų8648.4 Ų48.453%0.52827%0.273SS..THydrogen-bonded Turntrans-105.6-11.3-17766.30000113.7D161 V166D161-T164 PolarHBondContact O-N 3.03Å; D161-T164 PolarHBondContact OD1-N 3.43Å; T164-V166 PolarHBondContact O-N 3.19Å; T164-V166 WeakPolarHBondContact OG1-CG2 3.28Å; T164-V166 PolarHBondContact OG1-N 3.45Å
165M98.3Very high97.8Very high34 Ų3453 Ų5317%0.16730%0.3CS..THydrogen-bonded Turntrans5635.7-171.5-61.2-66.8178.300113.2Y90 L105 P118 K119 I120 S121 D161Y90-M165 HydrophobicContact CE1-CE 3.82Å; Y90-M165 HydrophobicContact CE1-SD 4.35Å; Y90-M165 VanDerWaalsContact OH-CE 3.28Å; Y90-M165 WeakPolarHBondContact OH-CE 3.48Å; L105-M165 HydrophobicContact CD2-SD 4.19Å; P118-M165 HydrophobicContact CB-CE 4.01Å; P118-M165 HydrophobicContact CB-CG 4.23Å; P118-M165 HydrophobicContact CB-SD 3.89Å; P118-M165 HydrophobicContact CG-CE 4.19Å; P118-M165 HydrophobicContact CG-SD 4.44Å; K119-M165 WeakPolarHBondContact O-CB 3.32Å; I120-M165 WeakPolarHBondContact CA-O 3.16Å; S121-M165 PolarHBondContact N-O 2.97Å; D161-M165 VanDerWaalsContact O-CA 3.22Å; D161-M165 WeakPolarHBondContact O-CA 3.36Å; D161-M165 PolarHBondContact O-N 3.12Å
166V98.8Very high97.7Very high47 Ų4753 Ų5329%0.28530%0.304SS..EExtended strand (participates in β ladder)trans-108.9125.1179.8-176.10000110.1D161 T164D161-V166 PolarHBondContact N-O 2.65Å; D161-V166 PolarHBondContact O-N 3.44Å; T164-V166 PolarHBondContact O-N 3.19Å; T164-V166 WeakPolarHBondContact OG1-CG2 3.28Å; T164-V166 PolarHBondContact OG1-N 3.45Å
167W98.8Very high97.7Very high2 Ų251.7 Ų51.71%0.00830%0.297CS..EExtended strand (participates in β ladder)trans-82.9140.1170-74.4100.7000111.1W92 S121 G122 A123 P125 M140 I142 H158 R159 L160W92-W167 HydrophobicContact CD2-CH2 4.49Å; W92-W167 AromaticContact CD2-CZ2 3.97Å; W92-W167 HydrophobicContact CD2-CZ2 3.97Å; W92-W167 AromaticContact CE3-CZ2 3.82Å; W92-W167 HydrophobicContact CE3-CZ2 3.82Å; W92-W167 HydrophobicContact CH2-CZ2 4.35Å; W92-W167 HydrophobicContact CZ2-CZ2 4.5Å; W92-W167 HydrophobicContact CZ3-CZ2 4.01Å; W92-W167 AromaticContact CZ3-NE1 3.92Å; S121-W167 PolarHBondContact O-N 2.8Å; G122-W167 WeakPolarHBondContact CA-O 3.48Å; A123-W167 PolarHBondContact N-O 2.83Å; A123-W167 WeakPolarHBondContact O-CB 3.29Å; P125-W167 HydrophobicContact CG-CD2 4.08Å; P125-W167 HydrophobicContact CG-CE3 3.94Å; P125-W167 HydrophobicContact CG-CH2 4.34Å; P125-W167 HydrophobicContact CG-CZ2 4.46Å; P125-W167 HydrophobicContact CG-CZ3 4.08Å; M140-W167 HydrophobicContact SD-CH2 4.36Å; I142-W167 HydrophobicContact CD1-CH2 4.25Å; I142-W167 HydrophobicContact CD1-CZ3 4.24Å; I142-W167 HydrophobicContact CG1-CH2 4.36Å; I142-W167 HydrophobicContact CG1-CZ3 4.07Å; I142-W167 HydrophobicContact CG2-CH2 4.12Å; I142-W167 HydrophobicContact CG2-CZ3 4.47Å; H158-W167 HydrophobicContact CB-CE3 3.75Å; H158-W167 HydrophobicContact CB-CZ3 3.86Å; R159-W167 VanDerWaalsContact C-CE3 3.48Å; R159-W167 CarbonylContact O-C 3.48Å; R159-W167 WeakPolarHBondContact O-CA 2.9Å; L160-W167 HydrophobicContact CB-CD2 3.68Å; L160-W167 HydrophobicContact CB-CE3 3.6Å; L160-W167 HydrophobicContact CB-CG 4.47Å; L160-W167 HydrophobicContact CB-CH2 3.64Å; L160-W167 HydrophobicContact CB-CZ2 3.71Å; L160-W167 HydrophobicContact CB-CZ3 3.58Å; L160-W167 HydrophobicContact CD1-CD2 4.06Å; L160-W167 HydrophobicContact CD1-CG 4.07Å; L160-W167 HydrophobicContact CD2-CH2 4.39Å; L160-W167 HydrophobicContact CD2-CZ2 3.83Å; L160-W167 HydrophobicContact CG-CD2 4.37Å; L160-W167 HydrophobicContact CG-CZ2 4.23Å
168S98.7Very high97.5Very high50 Ų5055.7 Ų55.735%0.3531%0.311SS..EExtended strand (participates in β ladder)trans-127.1134.1171.2-61.20000109.7H158 R159H158-S168 WeakPolarHBondContact CA-O 3.34Å; R159-S168 PolarHBondContact N-O 3.13Å; R159-S168 PolarHBondContact O-N 2.92Å
169L98.6Very high97.4Very high85 Ų8558 Ų5845%0.44532%0.32SS..EExtended strand (participates in β ladder)trans-77.8123.9165.8174.961.9000107.7A123 D156 N171A123-L169 HydrophobicContact CB-CB 3.96Å; D156-L169 HydrophobicContact CB-CD1 3.98Å; L169-N171 PolarHBondContact O-N 2.72Å
170I98.4Very high97.4Very high21 Ų2155.1 Ų55.111%0.10831%0.309CS..  trans-81.9118.2179.9-59.1-63.2000109.1I157 R159 A172 F219 N224I157-I170 HydrophobicContact CB-CB 4.1Å; I157-I170 HydrophobicContact CB-CG1 4.39Å; I157-I170 HydrophobicContact CG2-CB 4.14Å; I157-I170 HydrophobicContact CG2-CG1 3.91Å; I157-I170 WeakPolarHBondContact O-CB 3.37Å; I157-I170 PolarHBondContact O-N 3.03Å; R159-I170 HydrophobicContact CB-CD1 3.9Å; R159-I170 HydrophobicContact CB-CG1 4.14Å; I170-A172 PolarHBondContact O-N 3.35Å; I170-F219 HydrophobicContact CG2-CE2 4.48Å; I170-F219 HydrophobicContact CG2-CZ 3.72Å; I170-N224 HydrophobicContact CG2-CB 3.93Å; I170-N224 WeakPolarHBondContact CG2-OD1 3.29Å
171N96.4Very high97.4Very high134 Ų13455.1 Ų55.172%0.71731%0.309SS*.  trans-73.876172.3-69-26.1000110.2L169L169-N171 PolarHBondContact O-N 2.72Å
172A96.3Very high97.4Very high42 Ų4254.1 Ų54.135%0.34730%0.303SS..  trans-70.2132.1-177.500000111.7I157 I170 F219 N224I157-A172 HydrophobicContact CD1-CB 4.43Å; I170-A172 PolarHBondContact O-N 3.35Å; A172-F219 HydrophobicContact CB-CD2 4.44Å; A172-F219 HydrophobicContact CB-CE2 3.71Å; A172-N224 WeakPolarHBondContact CA-O 3.38Å
173R97Very high97.4Very high148 Ų14854.1 Ų54.156%0.55830%0.302SS*.EExtended strand (participates in β ladder)trans-97173.2172-61.2-171.1-60.6-76.9-2.5111.3T223 N224 W226R173-T223 PolarHBondContact NH2-O 3.48Å; R173-N224 PolarHBondContact N-O 2.77Å; R173-W226 PolarHBondContact O-N 3.15Å
174G96.5Very high97.5Very high52 Ų5250 Ų5054%0.53628%0.277SS..EExtended strand (participates in β ladder)trans80-161.7179.600000112.8P176G174-P176 VanDerWaalsContact O-CD 3.3Å; G174-P176 WeakPolarHBondContact O-CD 3.5Å
175T96.1Very high97.5Very high104 Ų10446.4 Ų46.464%0.63826%0.256SS*.SBendtrans-99.2103.3-176.7-55.20000110.5W226T175-W226 WeakPolarHBondContact O-CB 3.4Å
176P94.9Very high97.5Very high54 Ų5445.5 Ų45.535%0.35125%0.253SS..PPolyproline II helixtrans-64.5159.9-173.327.9-35.9000112.9G174 R178 W226G174-P176 VanDerWaalsContact O-CD 3.3Å; G174-P176 WeakPolarHBondContact O-CD 3.5Å; P176-R178 PolarHBondContact O-N 2.9Å; P176-W226 VanDerWaalsContact CA-CD1 3.49Å; P176-W226 HydrophobicContact CB-CD2 4.47Å; P176-W226 HydrophobicContact CB-CG 4.29Å
177A95.9Very high97.5Very high0 Ų044.5 Ų44.50%025%0.245CC..PPolyproline II helixtrans-55137.3156.900000109.3F143 N155 V194 K217 W226F143-A177 HydrophobicContact CE1-CB 4.01Å; F143-A177 HydrophobicContact CE2-CB 4.42Å; F143-A177 HydrophobicContact CZ-CB 3.51Å; N155-A177 WeakPolarHBondContact CB-O 3.4Å; N155-A177 PolarHBondContact ND2-O 3.46Å; A177-V194 HydrophobicContact CB-CG1 4.35Å; A177-K217 HydrophobicContact CB-CB 3.94Å; A177-K217 HydrophobicContact CB-CG 3.9Å; A177-W226 HydrophobicContact CB-CH2 3.62Å; A177-W226 HydrophobicContact CB-CZ2 4.09Å; A177-W226 HydrophobicContact CB-CZ3 3.92Å
178R95.3Very high97.5Very high87 Ų8745.8 Ų45.833%0.32825%0.252SS..PPolyproline II helixtrans-54.4148.1171.4-66.5-177.969.793.7-5.7110.5P176 R180 D200 R201P176-R178 PolarHBondContact O-N 2.9Å; R178-R180 PolarHBondContact O-N 2.8Å; R178-R180 PolarHBondContact O-NE 2.7Å; R178-R180 PolarHBondContact O-NH2 3.16Å; R178-D200 PolarHBondContact NH2-O 3.06Å; R178-R201 PolarHBondContact NH2-O 2.82Å
179W97.6Very high97.4Very high61 Ų6146.2 Ų46.223%0.23127%0.265CS..SBendtrans-47.3130.2167.243.482000111.5F153 S154 N155 A199 G203 P204F153-W179 HydrophobicContact CB-CB 3.75Å; F153-W179 HydrophobicContact CB-CG 4.32Å; F153-W179 VanDerWaalsContact O-CB 3.24Å; F153-W179 WeakPolarHBondContact O-CB 3.47Å; S154-W179 VanDerWaalsContact O-CA 3.28Å; S154-W179 WeakPolarHBondContact O-CA 3.41Å; N155-W179 HydrophobicContact CB-CB 4.33Å; W179-A199 WeakPolarHBondContact O-CB 3.13Å; W179-G203 VanDerWaalsContact CE2-C 3.42Å; W179-G203 PolarHBondContact NE1-O 2.89Å; W179-P204 HydrophobicContact CB-CB 4.36Å; W179-P204 VanDerWaalsContact CD1-CA 3.49Å; W179-P204 HydrophobicContact CD2-CB 4.16Å; W179-P204 HydrophobicContact CG-CB 3.98Å
180R98.2Very high97.4Very high5 Ų544.2 Ų44.22%0.01926%0.256CS..  trans-162.3155.4-170.966.6-174.172.7-158-5.4113.3F143 G145 S154 R178 H183 G196 R198 A199F143-R180 HydrophobicContact CE1-CG 4.23Å; G145-R180 PolarHBondContact N-O 3.37Å; S154-R180 PolarHBondContact O-N 3.34Å; S154-R180 VanDerWaalsContact O-N 3.15Å; R178-R180 PolarHBondContact O-N 2.8Å; R178-R180 PolarHBondContact O-NE 2.7Å; R178-R180 PolarHBondContact O-NH2 3.16Å; R180-H183 HydrophobicContact CG-CB 4.15Å; R180-H183 WeakPolarHBondContact CG-ND1 3.49Å; R180-G196 PolarHBondContact NH1-O 3.48Å; R180-R198 CarbonylContact C-O 3.45Å; R180-R198 WeakPolarHBondContact CA-O 3.34Å; R180-R198 VanDerWaalsContact CB-O 3.27Å; R180-R198 WeakPolarHBondContact CB-O 3.24Å; R180-A199 HydrophobicContact CB-CB 4.21Å
181D98.3Very high97.4Very high0 Ų046.3 Ų46.30%026%0.264CS..EExtended strand (participates in β ladder)trans-122.8168.216771.3-5.9000111.8G130 F153 H183 G197 R198G130-D181 CarbonylContact O-C 3.6Å; G130-D181 WeakPolarHBondContact O-CA 3.39Å; F153-D181 HydrophobicContact CD1-CB 4.11Å; F153-D181 HydrophobicContact CE1-CB 4.25Å; D181-H183 PolarHBondContact O-N 3.5Å; D181-G197 CarbonylContact O-C 3.57Å; D181-G197 WeakPolarHBondContact O-CA 3.47Å; D181-R198 PolarHBondContact N-O 2.86Å; D181-R198 PolarHBondContact O-N 2.95Å; D181-R198 WeakPolarHBondContact OD1-CB 3.36Å; D181-R198 IonicContact OD1-CZ 2.98Å; D181-R198 IonicContact OD1-NE 3.73Å; D181-R198 PolarHBondContact OD1-NE 2.94Å; D181-R198 IonicContact OD1-NH2 3.13Å; D181-R198 IonicContact OD2-CZ 3.47Å; D181-R198 IonicContact OD2-NE 3.8Å; D181-R198 PolarHBondContact OD2-NE 2.91Å; D181-R198 IonicContact OD2-NH2 3.51Å; D181-R198 PolarHBondContact OD2-NH2 3.5Å
182F98.4Very high97.5Very high12 Ų1239.9 Ų39.95%0.05323%0.23CC..EExtended strand (participates in β ladder)trans49.536.4178.6-61.2-70000114.1G130 R240 S241G130-F182 PolarHBondContact O-N 3.36Å; F182-R240 HydrophobicContact CB-CB 3.91Å; F182-R240 HydrophobicContact CB-CG 4.41Å; F182-R240 CarbonylContact O-C 3.6Å; F182-R240 WeakPolarHBondContact O-CA 3.37Å; F182-S241 PolarHBondContact O-N 3.23Å
183H98.8Very high97.6Very high14 Ų1438.3 Ų38.37%0.06522%0.215CC..EExtended strand (participates in β ladder)trans-94.9177.6172.363.8-77000110.1S132 F143 R180 D181S132-H183 WeakPolarHBondContact CB-NE2 3.26Å; S132-H183 PolarHBondContact OG-CD2 2.84Å; S132-H183 PolarHBondContact OG-NE2 2.99Å; F143-H183 AromaticContact CD1-CD2 3.85Å; F143-H183 AromaticContact CD1-CE1 3.92Å; F143-H183 AromaticContact CD1-NE2 3.2Å; F143-H183 WeakPolarHBondContact CD1-NE2 3.48Å; F143-H183 AromaticContact CE1-NE2 3.81Å; F143-H183 PolarHBondContact O-CE1 2.87Å; F143-H183 PolarHBondContact O-NE2 2.98Å; R180-H183 HydrophobicContact CG-CB 4.15Å; R180-H183 WeakPolarHBondContact CG-ND1 3.49Å; D181-H183 PolarHBondContact O-N 3.5Å
184S98.7Very high97.7Very high11 Ų1131.3 Ų31.38%0.07719%0.189CC..EExtended strand (participates in β ladder)trans-114.2143.3167.263.80000111.1V194 F195 H242 A244S184-V194 WeakPolarHBondContact O-CA 3.3Å; S184-F195 PolarHBondContact N-O 2.88Å; S184-F195 PolarHBondContact O-N 3.19Å; S184-F195 PolarHBondContact OG-O 3.2Å; S184-H242 WeakPolarHBondContact CB-NE2 3.46Å; S184-H242 PolarHBondContact OG-NE2 3.08Å; S184-A244 VanDerWaalsContact CB-CB 3.42Å; S184-A244 WeakPolarHBondContact OG-CB 2.96Å
185A98.5Very high97.8Very high11 Ų1128.8 Ų28.89%0.09116%0.163CC..EExtended strand (participates in β ladder)trans-121.4138.6161.500000109.6S132 M192 F193 V194S132-A185 WeakPolarHBondContact OG-CB 3.37Å; A185-M192 HydrophobicContact CB-CG 4Å; A185-M192 HydrophobicContact CB-SD 4.04Å; A185-F193 CarbonylContact C-O 3.48Å; A185-F193 VanDerWaalsContact CA-O 3.29Å; A185-F193 WeakPolarHBondContact CA-O 3.35Å; A185-V194 HydrophobicContact CB-CG2 4.07Å
186T98.6Very high97.9Very high16 Ų1623.9 Ų23.910%0.09813%0.133CC..EExtended strand (participates in β ladder)trans-139.4128.7177.4-56.30000109I188 F193 C246 L251T186-I188 HydrophobicContact CG2-CG1 4.32Å; T186-F193 PolarHBondContact N-O 2.84Å; T186-F193 PolarHBondContact O-N 3.13Å; T186-C246 HydrophobicContact CG2-CB 3.89Å; T186-L251 HydrophobicContact CG2-CD1 4.07Å
187I98.4Very high98.1Very high26 Ų2621.3 Ų21.313%0.13312%0.116CC..EExtended strand (participates in β ladder)trans-87.9129.5175-72.3174000109.4C134 L136 Y141 G189 K191 M192C134-I187 HydrophobicContact CB-CD1 4.03Å; C134-I187 HydrophobicContact CB-CG1 3.99Å; C134-I187 WeakPolarHBondContact SG-CD1 3.36Å; C134-I187 VanDerWaalsContact SG-CG1 3.58Å; L136-I187 HydrophobicContact CB-CD1 3.91Å; L136-I187 HydrophobicContact CB-CG2 4.39Å; L136-I187 HydrophobicContact CD1-CG2 4.23Å; Y141-I187 HydrophobicContact CD2-CD1 4.12Å; Y141-I187 HydrophobicContact CG-CD1 4.46Å; I187-G189 VanDerWaalsContact CG2-O 3.27Å; I187-G189 WeakPolarHBondContact CG2-O 3.29Å; I187-K191 WeakPolarHBondContact CA-O 3.29Å; I187-M192 HydrophobicContact CD1-CE 4.38Å; I187-M192 HydrophobicContact CG1-CB 3.91Å; I187-M192 HydrophobicContact CG1-CG 4.14Å
188I98.3Very high98.1Very high28 Ų2823 Ų2314%0.14412%0.123CC..EExtended strand (participates in β ladder)trans-130.3117.4172.2-53.4-179.2000106.9T186 T190 K191 F193 C246 L251 P273T186-I188 HydrophobicContact CG2-CG1 4.32Å; I188-T190 PolarHBondContact O-N 2.8Å; I188-K191 PolarHBondContact N-O 3.07Å; I188-K191 PolarHBondContact O-N 3.38Å; I188-F193 HydrophobicContact CB-CD2 4.17Å; I188-F193 HydrophobicContact CB-CE2 3.84Å; I188-F193 HydrophobicContact CD1-CD2 4.34Å; I188-F193 HydrophobicContact CD1-CE2 4.5Å; I188-F193 HydrophobicContact CG1-CD2 4.17Å; I188-F193 HydrophobicContact CG1-CE2 4.3Å; I188-C246 HydrophobicContact CD1-CB 4.45Å; I188-C246 HydrophobicContact CG1-CB 4.23Å; I188-L251 HydrophobicContact CD1-CB 3.88Å; I188-P273 HydrophobicContact CD1-CG 4Å
189G97.3Very high98.2Very high60 Ų6019 Ų1962%0.61911%0.107SC*.THydrogen-bonded Turntrans61-126-16700000110.7I187I187-G189 VanDerWaalsContact CG2-O 3.27Å; I187-G189 WeakPolarHBondContact CG2-O 3.29Å
190T97.3Very high98.1Very high42 Ų4216.1 Ų16.126%0.25810%0.097SC..THydrogen-bonded Turntrans-99.510.2178.161.50000113.3I188 T221 E222I188-T190 PolarHBondContact O-N 2.8Å; T190-T221 WeakPolarHBondContact O-CB 3.41Å; T190-T221 WeakPolarHBondContact O-CG2 3.41Å; T190-T221 PolarHBondContact O-N 3.09Å; T190-T221 PolarHBondContact O-OG1 2.96Å; T190-E222 WeakPolarHBondContact CB-OE2 3.25Å; T190-E222 HydrophobicContact CG2-CG 3.99Å; T190-E222 PolarHBondContact OG1-OE2 3.43Å
191K98.6Very high97.9Very high65 Ų6521.4 Ų21.428%0.28312%0.117SC..EExtended strand (participates in β ladder)trans-115.8132.4-174.5-58-166.3-165.6-45.60111.4I187 I188 F193 V218 F219 D220 L227I187-K191 WeakPolarHBondContact CA-O 3.29Å; I188-K191 PolarHBondContact N-O 3.07Å; I188-K191 PolarHBondContact O-N 3.38Å; K191-F193 HydrophobicContact CB-CD2 4.49Å; K191-F193 HydrophobicContact CB-CE2 3.69Å; K191-F193 HydrophobicContact CB-CZ 4.01Å; K191-F193 WeakPolarHBondContact O-CD2 3.33Å; K191-F193 WeakPolarHBondContact O-CE2 3.46Å; K191-V218 HydrophobicContact CB-CG1 3.93Å; K191-V218 HydrophobicContact CD-CG1 3.93Å; K191-V218 HydrophobicContact CG-CG1 4.41Å; K191-F219 CarbonylContact C-O 3.59Å; K191-F219 WeakPolarHBondContact CA-O 3.19Å; K191-D220 IonicContact NZ-OD2 3.27Å; K191-D220 PolarHBondContact NZ-OD2 2.89Å; K191-L227 HydrophobicContact CD-CD1 3.95Å
192M98.8Very high97.7Very high0 Ų028.5 Ų28.50%015%0.148CC..EExtended strand (participates in β ladder)trans-94.4121.6173.8-175.8-167.4-57.500109.6Y141 F143 A185 I187 V194 V218 F219Y141-M192 HydrophobicContact CD1-CE 4Å; Y141-M192 HydrophobicContact CG-CE 4Å; F143-M192 HydrophobicContact CB-SD 4.28Å; A185-M192 HydrophobicContact CB-CG 4Å; A185-M192 HydrophobicContact CB-SD 4.04Å; I187-M192 HydrophobicContact CD1-CE 4.38Å; I187-M192 HydrophobicContact CG1-CB 3.91Å; I187-M192 HydrophobicContact CG1-CG 4.14Å; M192-V194 HydrophobicContact CG-CG2 4.41Å; M192-V194 HydrophobicContact SD-CG2 4.32Å; M192-V218 WeakPolarHBondContact O-CA 3.48Å; M192-F219 HydrophobicContact CB-CB 4.27Å; M192-F219 HydrophobicContact CB-CD1 4.44Å; M192-F219 PolarHBondContact N-O 2.76Å; M192-F219 PolarHBondContact O-N 3.1Å
193F98.7Very high97.6Very high9 Ų928.5 Ų28.54%0.03915%0.151CC..EExtended strand (participates in β ladder)trans-102.1117.4179.5-65.4-95.7000109.8A185 T186 I188 K191 I216 V218 L251 F271 P273A185-F193 CarbonylContact C-O 3.48Å; A185-F193 VanDerWaalsContact CA-O 3.29Å; A185-F193 WeakPolarHBondContact CA-O 3.35Å; T186-F193 PolarHBondContact N-O 2.84Å; T186-F193 PolarHBondContact O-N 3.13Å; I188-F193 HydrophobicContact CB-CD2 4.17Å; I188-F193 HydrophobicContact CB-CE2 3.84Å; I188-F193 HydrophobicContact CD1-CD2 4.34Å; I188-F193 HydrophobicContact CD1-CE2 4.5Å; I188-F193 HydrophobicContact CG1-CD2 4.17Å; I188-F193 HydrophobicContact CG1-CE2 4.3Å; K191-F193 HydrophobicContact CB-CD2 4.49Å; K191-F193 HydrophobicContact CB-CE2 3.69Å; K191-F193 HydrophobicContact CB-CZ 4.01Å; K191-F193 WeakPolarHBondContact O-CD2 3.33Å; K191-F193 WeakPolarHBondContact O-CE2 3.46Å; F193-I216 HydrophobicContact CB-CD1 4.13Å; F193-I216 HydrophobicContact CB-CG1 4.39Å; F193-I216 HydrophobicContact CD1-CD1 3.83Å; F193-I216 HydrophobicContact CD1-CG1 4.27Å; F193-I216 HydrophobicContact CG-CD1 4.43Å; F193-V218 HydrophobicContact CD1-CG1 4.49Å; F193-V218 HydrophobicContact CD1-CG2 3.65Å; F193-V218 HydrophobicContact CE1-CG1 4.13Å; F193-V218 HydrophobicContact CE1-CG2 3.65Å; F193-V218 HydrophobicContact CZ-CG1 4.28Å; F193-L251 HydrophobicContact CB-CD2 4.07Å; F193-F271 HydrophobicContact CD1-CD1 4.5Å; F193-F271 AromaticContact CD1-CE1 3.95Å; F193-F271 HydrophobicContact CD1-CE1 3.95Å; F193-F271 AromaticContact CE1-CE1 3.9Å; F193-F271 HydrophobicContact CE1-CE1 3.9Å; F193-P273 HydrophobicContact CE1-CB 3.94Å; F193-P273 HydrophobicContact CE1-CG 4.37Å; F193-P273 HydrophobicContact CE2-CB 4.49Å; F193-P273 HydrophobicContact CZ-CB 3.67Å; F193-P273 HydrophobicContact CZ-CG 4.13Å
194V98.7Very high97.4Very high0 Ų029.8 Ų29.80%016%0.161CC..EExtended strand (participates in β ladder)trans-106.4124.7179.71750000109.8F143 A177 S184 A185 M192 I216 K217 W226F143-V194 HydrophobicContact CD1-CG1 4.02Å; F143-V194 HydrophobicContact CD1-CG2 3.75Å; F143-V194 HydrophobicContact CE1-CB 4.44Å; F143-V194 HydrophobicContact CE1-CG1 3.65Å; F143-V194 HydrophobicContact CE1-CG2 4.02Å; F143-V194 HydrophobicContact CG-CG2 4.47Å; A177-V194 HydrophobicContact CB-CG1 4.35Å; S184-V194 WeakPolarHBondContact O-CA 3.3Å; A185-V194 HydrophobicContact CB-CG2 4.07Å; M192-V194 HydrophobicContact CG-CG2 4.41Å; M192-V194 HydrophobicContact SD-CG2 4.32Å; V194-I216 WeakPolarHBondContact O-CA 3.42Å; V194-K217 HydrophobicContact CB-CB 4.31Å; V194-K217 PolarHBondContact N-O 3.16Å; V194-K217 PolarHBondContact O-N 2.79Å; V194-W226 HydrophobicContact CB-CH2 4.44Å; V194-W226 HydrophobicContact CG2-CH2 3.87Å; V194-W226 HydrophobicContact CG2-CZ3 4.24Å
195F98.6Very high97.3Very high0 Ų035 Ų350%018%0.182CC..EExtended strand (participates in β ladder)trans-135.3147.8179.3178.6-90.2000111.4S184 N214 P236 R239 H242 I253 W278S184-F195 PolarHBondContact N-O 2.88Å; S184-F195 PolarHBondContact O-N 3.19Å; S184-F195 PolarHBondContact OG-O 3.2Å; F195-N214 VanDerWaalsContact CE2-O 3.29Å; F195-N214 WeakPolarHBondContact CE2-O 3.42Å; F195-P236 HydrophobicContact CE1-CG 4.36Å; F195-P236 HydrophobicContact CE2-CG 3.78Å; F195-P236 HydrophobicContact CZ-CB 4.11Å; F195-P236 HydrophobicContact CZ-CG 3.53Å; F195-R239 HydrophobicContact CE1-CG 4.02Å; F195-H242 AromaticContact CD1-CE1 3.91Å; F195-H242 AromaticContact CD1-NE2 3.61Å; F195-H242 PolarHBondContact O-CE1 2.88Å; F195-I253 HydrophobicContact CD1-CD1 3.79Å; F195-I253 HydrophobicContact CD1-CG2 4.1Å; F195-I253 HydrophobicContact CE1-CD1 3.28Å; F195-I253 HydrophobicContact CZ-CD1 3.75Å; F195-W278 HydrophobicContact CD2-CH2 4.29Å; F195-W278 AromaticContact CD2-CZ2 3.68Å; F195-W278 HydrophobicContact CD2-CZ2 3.68Å; F195-W278 AromaticContact CE2-CZ2 4Å; F195-W278 HydrophobicContact CE2-CZ2 4Å; F195-W278 HydrophobicContact CG-CH2 4.45Å; F195-W278 HydrophobicContact CG-CZ2 4.24Å
196G98.4Very high96.9Very high0 Ų038.3 Ų38.30%020%0.196CC..EExtended strand (participates in β ladder)trans73.9-156174.600000113.4R180 C213 R239R180-G196 PolarHBondContact NH1-O 3.48Å; G196-C213 WeakPolarHBondContact CA-O 3.48Å; G196-C213 PolarHBondContact N-O 2.84Å; G196-R239 CarbonylContact C-O 3.59Å; G196-R239 WeakPolarHBondContact CA-O 3.4Å
197G98.2Very high96.6Very high0 Ų039.6 Ų39.60%021%0.205CC..EExtended strand (participates in β ladder)trans93.2157.8-178.100000113.3D181 C213 R239D181-G197 CarbonylContact O-C 3.57Å; D181-G197 WeakPolarHBondContact O-CA 3.47Å; G197-C213 PolarHBondContact O-N 2.91Å; G197-R239 PolarHBondContact N-O 2.7Å
198R97.6Very high96.1Very high37 Ų3744.6 Ų44.614%0.1423%0.232CC..EExtended strand (participates in β ladder)trans-88.7132165.1161.9-177.769163.612108.1R180 D181 E210 Y212 R240R180-R198 CarbonylContact C-O 3.45Å; R180-R198 WeakPolarHBondContact CA-O 3.34Å; R180-R198 VanDerWaalsContact CB-O 3.27Å; R180-R198 WeakPolarHBondContact CB-O 3.24Å; D181-R198 PolarHBondContact N-O 2.86Å; D181-R198 PolarHBondContact O-N 2.95Å; D181-R198 WeakPolarHBondContact OD1-CB 3.36Å; D181-R198 IonicContact OD1-CZ 2.98Å; D181-R198 IonicContact OD1-NE 3.73Å; D181-R198 PolarHBondContact OD1-NE 2.94Å; D181-R198 IonicContact OD1-NH2 3.13Å; D181-R198 IonicContact OD2-CZ 3.47Å; D181-R198 IonicContact OD2-NE 3.8Å; D181-R198 PolarHBondContact OD2-NE 2.91Å; D181-R198 IonicContact OD2-NH2 3.51Å; D181-R198 PolarHBondContact OD2-NH2 3.5Å; R198-E210 WeakPolarHBondContact CD-OE1 3.36Å; R198-E210 HydrophobicContact CG-CB 4.44Å; R198-E210 HydrophobicContact CG-CG 4.35Å; R198-E210 IonicContact CZ-OE1 3.71Å; R198-E210 IonicContact NE-OE1 3.81Å; R198-E210 IonicContact NH1-OE1 2.84Å; R198-E210 PolarHBondContact NH1-OE1 3.28Å; R198-Y212 HydrophobicContact CB-CE1 4.17Å; R198-R240 HydrophobicContact CB-CB 4.38Å
199A97.2Very high95.9Very high1 Ų146.2 Ų46.21%0.00824%0.241CC..EExtended strand (participates in β ladder)trans-128173.2169.600000108.5W179 R180 E210 I211W179-A199 WeakPolarHBondContact O-CB 3.13Å; R180-A199 HydrophobicContact CB-CB 4.21Å; A199-E210 CarbonylContact O-C 3.58Å; A199-E210 WeakPolarHBondContact O-CA 3.21Å; A199-I211 HydrophobicContact CB-CD1 4.16Å; A199-I211 HydrophobicContact CB-CG1 3.77Å; A199-I211 PolarHBondContact N-O 3.31Å; A199-I211 PolarHBondContact O-N 3.15Å
200D95.4Very high95.8Very high1 Ų145.1 Ų45.11%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-108.6145.8173-175.6-71.6000110.6F153 R178 F202 G203 F205 S207F153-D200 HydrophobicContact CD2-CB 4.19Å; F153-D200 HydrophobicContact CE2-CB 3.98Å; R178-D200 PolarHBondContact NH2-O 3.06Å; D200-F202 PolarHBondContact OD1-N 3.36Å; D200-G203 WeakPolarHBondContact CB-O 3.3Å; D200-G203 PolarHBondContact OD1-N 3.19Å; D200-F205 VanDerWaalsContact CG-O 3.23Å; D200-S207 PolarHBondContact OD1-OG 3.01Å; D200-S207 WeakPolarHBondContact OD2-CB 3.19Å; D200-S207 PolarHBondContact OD2-N 3.24Å; D200-S207 PolarHBondContact OD2-OG 3.08Å
201R94.2Very high95.7Very high117 Ų11744.6 Ų44.644%0.44222%0.215SC..SBendtrans-65.1-41.6-177.4-179.8173.4-66.8-86.9-5.6112.9R178 N209 I211R178-R201 PolarHBondContact NH2-O 2.82Å; R201-N209 HydrophobicContact CB-CB 4.06Å; R201-N209 WeakPolarHBondContact CB-O 3.29Å; R201-N209 PolarHBondContact N-O 2.8Å; R201-I211 HydrophobicContact CB-CG2 4.09Å
202F94.3Very high95.7Very high148 Ų14842.6 Ų42.665%0.64921%0.206SC*.SBendtrans-99.6-24.8-164.7-61.9-56.4000113.6D200 S207 N209D200-F202 PolarHBondContact OD1-N 3.36Å; F202-S207 WeakPolarHBondContact CD2-OG 3.32Å; F202-N209 HydrophobicContact CD2-CB 4.04Å; F202-N209 HydrophobicContact CE2-CB 3.74Å
203G94.5Very high95.4Very high12 Ų1243.5 Ų43.512%0.12421%0.212CC..SBendtrans-179.2-173.3-177.400000112.1W179 D200 F205W179-G203 VanDerWaalsContact CE2-C 3.42Å; W179-G203 PolarHBondContact NE1-O 2.89Å; D200-G203 WeakPolarHBondContact CB-O 3.3Å; D200-G203 PolarHBondContact OD1-N 3.19Å; G203-F205 PolarHBondContact O-N 3.47Å
204P95.5Very high95.3Very high41 Ų4145.6 Ų45.627%0.26622%0.224SC..SBendtrans-72.9-12.5178.831.8-35.6000112.8C152 F153 W179C152-P204 CarbonylContact C-O 3.58Å; C152-P204 WeakPolarHBondContact CA-O 3.45Å; C152-P204 HydrophobicContact CB-CB 4.24Å; F153-P204 WeakPolarHBondContact CD2-O 3.48Å; F153-P204 PolarHBondContact N-O 3.29Å; F153-P204 WeakPolarHBondContact O-CB 3.06Å; W179-P204 HydrophobicContact CB-CB 4.36Å; W179-P204 VanDerWaalsContact CD1-CA 3.49Å; W179-P204 HydrophobicContact CD2-CB 4.16Å; W179-P204 HydrophobicContact CG-CB 3.98Å
205F96Very high95.1Very high120 Ų12052 Ų5253%0.52625%0.252SS..BIsolated β-bridgetrans-90.5153.6179.4-55.9-79.5000111.6D151 C152 D200 G203 S207D151-F205 VanDerWaalsContact O-CD1 3.29Å; D151-F205 WeakPolarHBondContact O-CD1 3.24Å; C152-F205 HydrophobicContact CB-CD1 3.91Å; C152-F205 HydrophobicContact CB-CE1 3.79Å; C152-F205 HydrophobicContact CB-CZ 4.45Å; D200-F205 VanDerWaalsContact CG-O 3.23Å; G203-F205 PolarHBondContact O-N 3.47Å; F205-S207 PolarHBondContact O-N 3.19Å
206H91Very high95Very high82 Ų8252.2 Ų52.238%0.3825%0.253SS..  trans-72.4112.2178.9-165.968.1000111.1N208 E210H206-N208 PolarHBondContact CD2-OD1 3.08Å; H206-N208 VanDerWaalsContact CD2-OD1 3.27Å; H206-N208 PolarHBondContact NE2-OD1 3.33Å; H206-E210 IonicContact CE1-OE1 3.64Å
207S92Very high94.9Very high42 Ų4254.9 Ų54.929%0.29427%0.265SS..  trans-109.912.1-18074.30000113.2D200 F202 F205 N209D200-S207 PolarHBondContact OD1-OG 3.01Å; D200-S207 WeakPolarHBondContact OD2-CB 3.19Å; D200-S207 PolarHBondContact OD2-N 3.24Å; D200-S207 PolarHBondContact OD2-OG 3.08Å; F202-S207 WeakPolarHBondContact CD2-OG 3.32Å; F205-S207 PolarHBondContact O-N 3.19Å; S207-N209 PolarHBondContact O-N 2.82Å; S207-N209 VanDerWaalsContact O-N 3.08Å; S207-N209 PolarHBondContact O-ND2 2.79Å; S207-N209 WeakPolarHBondContact OG-CB 3.05Å; S207-N209 PolarHBondContact OG-N 2.89Å
208N88.2Confident95Very high131 Ų13155.2 Ų55.270%0.70127%0.266SS*.SBendtrans57.412.1-167.5-60-36.6000114.5H206H206-N208 PolarHBondContact CD2-OD1 3.08Å; H206-N208 VanDerWaalsContact CD2-OD1 3.27Å; H206-N208 PolarHBondContact NE2-OD1 3.33Å
209N93.6Very high95Very high63 Ų6353.4 Ų53.434%0.33726%0.26SS..  trans-108.860.2178-74.1-94.5000110.7R201 F202 S207R201-N209 HydrophobicContact CB-CB 4.06Å; R201-N209 WeakPolarHBondContact CB-O 3.29Å; R201-N209 PolarHBondContact N-O 2.8Å; F202-N209 HydrophobicContact CD2-CB 4.04Å; F202-N209 HydrophobicContact CE2-CB 3.74Å; S207-N209 PolarHBondContact O-N 2.82Å; S207-N209 VanDerWaalsContact O-N 3.08Å; S207-N209 PolarHBondContact O-ND2 2.79Å; S207-N209 WeakPolarHBondContact OG-CB 3.05Å; S207-N209 PolarHBondContact OG-N 2.89Å
210E94.3Very high95.1Very high37 Ų3754 Ų5417%0.17326%0.263CS..EExtended strand (participates in β ladder)trans-60.5143.5-178.3-58-170.8156.400112R198 A199 H206 Y212 R260R198-E210 WeakPolarHBondContact CD-OE1 3.36Å; R198-E210 HydrophobicContact CG-CB 4.44Å; R198-E210 HydrophobicContact CG-CG 4.35Å; R198-E210 IonicContact CZ-OE1 3.71Å; R198-E210 IonicContact NE-OE1 3.81Å; R198-E210 IonicContact NH1-OE1 2.84Å; R198-E210 PolarHBondContact NH1-OE1 3.28Å; A199-E210 CarbonylContact O-C 3.58Å; A199-E210 WeakPolarHBondContact O-CA 3.21Å; H206-E210 IonicContact CE1-OE1 3.64Å; E210-Y212 HydrophobicContact CB-CE2 4.13Å; E210-Y212 PolarHBondContact OE2-OH 3.48Å; E210-R260 VanDerWaalsContact O-CD 3.24Å; E210-R260 WeakPolarHBondContact O-CD 3.47Å; E210-R260 PolarHBondContact O-NE 3Å; E210-R260 VanDerWaalsContact O-NE 3.09Å
211I96.3Very high95.2Very high31 Ų3154.5 Ų54.516%0.15927%0.266CS..EExtended strand (participates in β ladder)trans-128.8147.2170.163.6172.7000109.3A199 R201A199-I211 HydrophobicContact CB-CD1 4.16Å; A199-I211 HydrophobicContact CB-CG1 3.77Å; A199-I211 PolarHBondContact N-O 3.31Å; A199-I211 PolarHBondContact O-N 3.15Å; R201-I211 HydrophobicContact CB-CG2 4.09Å
212Y97.4Very high95.4Very high22 Ų2255.5 Ų55.59%0.08628%0.275CS..EExtended strand (participates in β ladder)trans-114.2115.1-179.6-68.4-95000108.4R198 E210 R240 N258 A259 R260R198-Y212 HydrophobicContact CB-CE1 4.17Å; E210-Y212 HydrophobicContact CB-CE2 4.13Å; E210-Y212 PolarHBondContact OE2-OH 3.48Å; Y212-R240 HydrophobicContact CD1-CB 4.27Å; Y212-R240 HydrophobicContact CD1-CG 4.43Å; Y212-R240 HydrophobicContact CE1-CB 4.07Å; Y212-R240 HydrophobicContact CE1-CG 3.79Å; Y212-N258 WeakPolarHBondContact CD2-OD1 3.36Å; Y212-N258 HydrophobicContact CG-CB 4.48Å; Y212-A259 HydrophobicContact CE2-CB 4.13Å; Y212-A259 WeakPolarHBondContact OH-CB 3.39Å; Y212-R260 HydrophobicContact CD2-CG 3.91Å; Y212-R260 HydrophobicContact CE2-CG 3.86Å
213C93.9Very high95.5Very high19 Ų1951.4 Ų51.413%0.12826%0.263CS..  trans-79125.2-171.7-71.10000111.2G196 G197G196-C213 WeakPolarHBondContact CA-O 3.48Å; G196-C213 PolarHBondContact N-O 2.84Å; G197-C213 PolarHBondContact O-N 2.91Å
214N95.1Very high95.7Very high53 Ų5353.1 Ų53.128%0.28327%0.269SS..  trans-108.6-2174.767.1-20.5000114F195 P236F195-N214 VanDerWaalsContact CE2-O 3.29Å; F195-N214 WeakPolarHBondContact CE2-O 3.42Å; N214-P236 WeakPolarHBondContact CB-O 3.45Å
215K94.8Very high95.8Very high135 Ų13552.6 Ų52.659%0.58727%0.266SS*.SBendtrans-90.6131176.8-63.9-173.2179.8-174.70110.1
216I96.5Very high95.9Very high5 Ų547.3 Ų47.33%0.02624%0.243CC..  trans-72.3137.6171.5-161159.8000109.7F193 V194 L251 F271 F276 W278F193-I216 HydrophobicContact CB-CD1 4.13Å; F193-I216 HydrophobicContact CB-CG1 4.39Å; F193-I216 HydrophobicContact CD1-CD1 3.83Å; F193-I216 HydrophobicContact CD1-CG1 4.27Å; F193-I216 HydrophobicContact CG-CD1 4.43Å; V194-I216 WeakPolarHBondContact O-CA 3.42Å; I216-L251 HydrophobicContact CD1-CD2 3.69Å; I216-F271 HydrophobicContact CD1-CD1 3.61Å; I216-F271 HydrophobicContact CD1-CD2 4.32Å; I216-F271 HydrophobicContact CD1-CE1 3.6Å; I216-F271 HydrophobicContact CD1-CE2 4.31Å; I216-F271 HydrophobicContact CD1-CG 3.97Å; I216-F271 HydrophobicContact CD1-CZ 3.96Å; I216-F271 HydrophobicContact CG2-CE2 4.18Å; I216-F271 HydrophobicContact CG2-CZ 4.03Å; I216-F276 HydrophobicContact CG2-CE1 3.89Å; I216-F276 HydrophobicContact CG2-CE2 3.98Å; I216-F276 HydrophobicContact CG2-CZ 3.27Å; I216-W278 HydrophobicContact CD1-CZ2 4.03Å
217K97.7Very high96.3Very high56 Ų5646.2 Ų46.224%0.24324%0.239CC..EExtended strand (participates in β ladder)trans-117.7139.5174.1-73.2-68-165.2169.60108.8A177 V194 W226A177-K217 HydrophobicContact CB-CB 3.94Å; A177-K217 HydrophobicContact CB-CG 3.9Å; V194-K217 HydrophobicContact CB-CB 4.31Å; V194-K217 PolarHBondContact N-O 3.16Å; V194-K217 PolarHBondContact O-N 2.79Å; K217-W226 HydrophobicContact CB-CE3 4.03Å; K217-W226 HydrophobicContact CB-CZ3 3.59Å
218V98.6Very high96.4Very high6 Ų650.3 Ų50.34%0.03627%0.268CS..EExtended strand (participates in β ladder)trans-121120.2-174.6-174.70000109K191 M192 F193 W226 L227 T229 F276K191-V218 HydrophobicContact CB-CG1 3.93Å; K191-V218 HydrophobicContact CD-CG1 3.93Å; K191-V218 HydrophobicContact CG-CG1 4.41Å; M192-V218 WeakPolarHBondContact O-CA 3.48Å; F193-V218 HydrophobicContact CD1-CG1 4.49Å; F193-V218 HydrophobicContact CD1-CG2 3.65Å; F193-V218 HydrophobicContact CE1-CG1 4.13Å; F193-V218 HydrophobicContact CE1-CG2 3.65Å; F193-V218 HydrophobicContact CZ-CG1 4.28Å; V218-W226 WeakPolarHBondContact O-CA 3.41Å; V218-L227 HydrophobicContact CB-CB 4.45Å; V218-L227 HydrophobicContact CG1-CD1 3.94Å; V218-L227 HydrophobicContact CG1-CG 4.46Å; V218-L227 PolarHBondContact O-N 3.02Å; V218-T229 HydrophobicContact CB-CG2 3.99Å; V218-T229 HydrophobicContact CG2-CG2 3.75Å; V218-F276 HydrophobicContact CG2-CE2 4.24Å
219F98.8Very high96.6Very high0 Ų045.9 Ų45.90%025%0.246CC..EExtended strand (participates in β ladder)trans-105.4125.9172.5176.6-100.8000109.3I157 I170 A172 K191 M192 T221 N224 W226I157-F219 HydrophobicContact CD1-CB 4.36Å; I157-F219 HydrophobicContact CD1-CD1 3.74Å; I157-F219 HydrophobicContact CD1-CD2 3.5Å; I157-F219 VanDerWaalsContact CD1-CD2 3.5Å; I157-F219 HydrophobicContact CD1-CE1 3.81Å; I157-F219 HydrophobicContact CD1-CE2 3.57Å; I157-F219 HydrophobicContact CD1-CG 3.58Å; I157-F219 HydrophobicContact CD1-CZ 3.72Å; I170-F219 HydrophobicContact CG2-CE2 4.48Å; I170-F219 HydrophobicContact CG2-CZ 3.72Å; A172-F219 HydrophobicContact CB-CD2 4.44Å; A172-F219 HydrophobicContact CB-CE2 3.71Å; K191-F219 CarbonylContact C-O 3.59Å; K191-F219 WeakPolarHBondContact CA-O 3.19Å; M192-F219 HydrophobicContact CB-CB 4.27Å; M192-F219 HydrophobicContact CB-CD1 4.44Å; M192-F219 PolarHBondContact N-O 2.76Å; M192-F219 PolarHBondContact O-N 3.1Å; F219-T221 HydrophobicContact CD1-CG2 4.06Å; F219-T221 HydrophobicContact CE1-CG2 4.1Å; F219-N224 VanDerWaalsContact CE2-C 3.45Å; F219-N224 HydrophobicContact CZ-CB 4.11Å; F219-W226 HydrophobicContact CB-CD2 3.94Å; F219-W226 HydrophobicContact CB-CE3 3.76Å; F219-W226 HydrophobicContact CB-CH2 3.97Å; F219-W226 HydrophobicContact CB-CZ2 4.15Å; F219-W226 HydrophobicContact CB-CZ3 3.75Å; F219-W226 AromaticContact CD2-CD1 3.91Å; F219-W226 HydrophobicContact CD2-CD2 4Å; F219-W226 AromaticContact CD2-CE2 3.89Å; F219-W226 HydrophobicContact CD2-CG 4.06Å; F219-W226 HydrophobicContact CD2-CZ2 4.48Å; F219-W226 AromaticContact CD2-NE1 3.79Å; F219-W226 HydrophobicContact CG-CD2 4.45Å
220D98.4Very high96.5Very high13 Ų1347 Ų477%0.0726%0.256CS..EExtended strand (participates in β ladder)trans-90.4116.2176.6-174.1-54.2000109.6K191 E222 T223 N224 C225 L227K191-D220 IonicContact NZ-OD2 3.27Å; K191-D220 PolarHBondContact NZ-OD2 2.89Å; D220-E222 VanDerWaalsContact C-N 3.34Å; D220-E222 PolarHBondContact OD1-N 3.19Å; D220-T223 WeakPolarHBondContact CB-OG1 3.16Å; D220-T223 PolarHBondContact OD1-N 3.5Å; D220-T223 PolarHBondContact OD1-OG1 2.75Å; D220-T223 VanDerWaalsContact OD1-OG1 3.12Å; D220-N224 VanDerWaalsContact O-CA 3.24Å; D220-N224 WeakPolarHBondContact O-CA 3.44Å; D220-N224 PolarHBondContact O-N 2.93Å; D220-C225 WeakPolarHBondContact CB-O 3.47Å; D220-C225 PolarHBondContact N-O 3.01Å; D220-C225 PolarHBondContact O-N 3.44Å; D220-L227 HydrophobicContact CB-CD1 4.21Å; D220-L227 HydrophobicContact CB-CD2 3.9Å; D220-L227 HydrophobicContact CB-CG 4.07Å
221T98.1Very high96.1Very high12 Ų1250.9 Ų50.97%0.07428%0.282CS..THydrogen-bonded Turntrans-77.5-17.4-174.265.20000113.7L136 Y141 T190 F219 N224L136-T221 HydrophobicContact CD2-CG2 4.23Å; L136-T221 WeakPolarHBondContact CD2-OG1 3.37Å; Y141-T221 HydrophobicContact CE1-CG2 4.3Å; T190-T221 WeakPolarHBondContact O-CB 3.41Å; T190-T221 WeakPolarHBondContact O-CG2 3.41Å; T190-T221 PolarHBondContact O-N 3.09Å; T190-T221 PolarHBondContact O-OG1 2.96Å; F219-T221 HydrophobicContact CD1-CG2 4.06Å; F219-T221 HydrophobicContact CE1-CG2 4.1Å; T221-N224 PolarHBondContact O-OD1 3.13Å
222E97.6Very high95.7Very high137 Ų13750.2 Ų50.264%0.6428%0.28SS*.THydrogen-bonded Turntrans-82.4-42.6178.4-68172.8122.600110.4T190 D220T190-E222 WeakPolarHBondContact CB-OE2 3.25Å; T190-E222 HydrophobicContact CG2-CG 3.99Å; T190-E222 PolarHBondContact OG1-OE2 3.43Å; D220-E222 VanDerWaalsContact C-N 3.34Å; D220-E222 PolarHBondContact OD1-N 3.19Å
223T97.8Very high95Very high62 Ų6258.4 Ų58.438%0.3832%0.319SS..THydrogen-bonded Turntrans-91.6-10.9-179.261.80000113.3R173 D220 C225R173-T223 PolarHBondContact NH2-O 3.48Å; D220-T223 WeakPolarHBondContact CB-OG1 3.16Å; D220-T223 PolarHBondContact OD1-N 3.5Å; D220-T223 PolarHBondContact OD1-OG1 2.75Å; D220-T223 VanDerWaalsContact OD1-OG1 3.12Å; T223-C225 VanDerWaalsContact C-N 3.32Å; T223-C225 WeakPolarHBondContact OG1-CB 3.18Å
224N97.9Very high94.9Very high49 Ų4962.2 Ų62.226%0.26234%0.338SS..THydrogen-bonded Turntrans52.547.9-169.5-67.2-44.2000112.4I170 A172 R173 F219 D220 T221I170-N224 HydrophobicContact CG2-CB 3.93Å; I170-N224 WeakPolarHBondContact CG2-OD1 3.29Å; A172-N224 WeakPolarHBondContact CA-O 3.38Å; R173-N224 PolarHBondContact N-O 2.77Å; F219-N224 VanDerWaalsContact CE2-C 3.45Å; F219-N224 HydrophobicContact CZ-CB 4.11Å; D220-N224 VanDerWaalsContact O-CA 3.24Å; D220-N224 WeakPolarHBondContact O-CA 3.44Å; D220-N224 PolarHBondContact O-N 2.93Å; T221-N224 PolarHBondContact O-OD1 3.13Å
225C98.3Very high94.8Very high30 Ų3061.4 Ų61.420%0.20334%0.336CS..EExtended strand (participates in β ladder)trans-131.8134-174.8-163.90000111.9D220 T223 L227D220-C225 WeakPolarHBondContact CB-O 3.47Å; D220-C225 PolarHBondContact N-O 3.01Å; D220-C225 PolarHBondContact O-N 3.44Å; T223-C225 VanDerWaalsContact C-N 3.32Å; T223-C225 WeakPolarHBondContact OG1-CB 3.18Å; C225-L227 PolarHBondContact O-N 2.94Å
226W98.6Very high95Very high9 Ų955 Ų553%0.03431%0.308CS..EExtended strand (participates in β ladder)trans-73.9119.5164.6-71.296.9000109.8F143 I157 R173 T175 P176 A177 V194 K217 V218 F219F143-W226 HydrophobicContact CD2-CH2 4.41Å; F143-W226 HydrophobicContact CD2-CZ2 4.07Å; F143-W226 HydrophobicContact CE1-CH2 4.44Å; F143-W226 AromaticContact CE2-CH2 3.97Å; F143-W226 HydrophobicContact CE2-CH2 3.97Å; F143-W226 AromaticContact CE2-CZ2 3.55Å; F143-W226 HydrophobicContact CE2-CZ2 3.55Å; F143-W226 HydrophobicContact CZ-CH2 4.04Å; F143-W226 HydrophobicContact CZ-CZ2 4.02Å; I157-W226 HydrophobicContact CD1-CZ2 3.79Å; I157-W226 HydrophobicContact CG1-CZ2 4.4Å; R173-W226 PolarHBondContact O-N 3.15Å; T175-W226 WeakPolarHBondContact O-CB 3.4Å; P176-W226 VanDerWaalsContact CA-CD1 3.49Å; P176-W226 HydrophobicContact CB-CD2 4.47Å; P176-W226 HydrophobicContact CB-CG 4.29Å; A177-W226 HydrophobicContact CB-CH2 3.62Å; A177-W226 HydrophobicContact CB-CZ2 4.09Å; A177-W226 HydrophobicContact CB-CZ3 3.92Å; V194-W226 HydrophobicContact CB-CH2 4.44Å; V194-W226 HydrophobicContact CG2-CH2 3.87Å; V194-W226 HydrophobicContact CG2-CZ3 4.24Å; K217-W226 HydrophobicContact CB-CE3 4.03Å; K217-W226 HydrophobicContact CB-CZ3 3.59Å; V218-W226 WeakPolarHBondContact O-CA 3.41Å; F219-W226 HydrophobicContact CB-CD2 3.94Å; F219-W226 HydrophobicContact CB-CE3 3.76Å; F219-W226 HydrophobicContact CB-CH2 3.97Å; F219-W226 HydrophobicContact CB-CZ2 4.15Å; F219-W226 HydrophobicContact CB-CZ3 3.75Å; F219-W226 AromaticContact CD2-CD1 3.91Å; F219-W226 HydrophobicContact CD2-CD2 4Å; F219-W226 AromaticContact CD2-CE2 3.89Å; F219-W226 HydrophobicContact CD2-CG 4.06Å; F219-W226 HydrophobicContact CD2-CZ2 4.48Å; F219-W226 AromaticContact CD2-NE1 3.79Å; F219-W226 HydrophobicContact CG-CD2 4.45Å
227L97.8Very high95Very high58 Ų5859 Ų5930%0.30433%0.327SS..PPolyproline II helixtrans-78.4145.3-175.3-55.9-176.1000111.2K191 V218 D220 C225 T229K191-L227 HydrophobicContact CD-CD1 3.95Å; V218-L227 HydrophobicContact CB-CB 4.45Å; V218-L227 HydrophobicContact CG1-CD1 3.94Å; V218-L227 HydrophobicContact CG1-CG 4.46Å; V218-L227 PolarHBondContact O-N 3.02Å; D220-L227 HydrophobicContact CB-CD1 4.21Å; D220-L227 HydrophobicContact CB-CD2 3.9Å; D220-L227 HydrophobicContact CB-CG 4.07Å; C225-L227 PolarHBondContact O-N 2.94Å; L227-T229 HydrophobicContact CB-CG2 4.45Å; L227-T229 PolarHBondContact O-N 2.97Å
228S95.2Very high95.1Very high128 Ų12856.3 Ų56.390%0.89532%0.316SS*.PPolyproline II helixtrans-72.1125.2161.8-172.30000108.2
229T92.3Very high95.1Very high39 Ų3956 Ų5624%0.23931%0.314CS..  trans-120.4148.2-176.161.50000111.4V218 L227 F276V218-T229 HydrophobicContact CB-CG2 3.99Å; V218-T229 HydrophobicContact CG2-CG2 3.75Å; L227-T229 HydrophobicContact CB-CG2 4.45Å; L227-T229 PolarHBondContact O-N 2.97Å; T229-F276 HydrophobicContact CG2-CE2 3.72Å; T229-F276 HydrophobicContact CG2-CZ 3.8Å
230P90.9Very high95Very high85 Ų8556.9 Ų56.955%0.55232%0.317SS*.PPolyproline II helixtrans-55160.2172.1-22.933000112.3F276P230-F276 HydrophobicContact CB-CD1 3.93Å; P230-F276 HydrophobicContact CB-CE1 4.43Å; P230-F276 HydrophobicContact CB-CG 4.44Å; P230-F276 HydrophobicContact CG-CB 4.47Å; P230-F276 HydrophobicContact CG-CD1 4.2Å; P230-F276 HydrophobicContact CG-CG 4.23Å; P230-F276 WeakPolarHBondContact O-CE1 3.44Å
231T86.5Confident95Very high119 Ų11956.8 Ų56.873%0.7332%0.317SS*.PPolyproline II helixtrans-83.7127.6167.6-60.50000108.7
232T88.5Confident95.1Very high18 Ų1856.9 Ų56.911%0.1132%0.317CS..PPolyproline II helixtrans-73.2129.5172.756.80000109.7L234 F271 F276T232-L234 WeakPolarHBondContact CB-O 2.99Å; T232-F271 HydrophobicContact CG2-CE2 4.2Å; T232-F276 HydrophobicContact CG2-CD1 3.65Å; T232-F276 HydrophobicContact CG2-CE1 3.56Å
233Q82.1Confident95.1Very high194 Ų19450.8 Ų50.891%0.90729%0.29SS*.SBendtrans-68.4-40.4178.4-67.2-177.7-700112.5
234L91.1Very high95.1Very high98 Ų9849.1 Ų49.151%0.51328%0.282SS..SBendtrans-111.5139.1172.2-176.365.7000108.5T232 W269T232-L234 WeakPolarHBondContact CB-O 2.99Å; L234-W269 HydrophobicContact CD1-CH2 4.16Å; L234-W269 HydrophobicContact CD2-CH2 3.95Å; L234-W269 HydrophobicContact CD2-CZ3 3.69Å; L234-W269 HydrophobicContact CG-CH2 3.95Å; L234-W269 HydrophobicContact CG-CZ3 3.82Å
235S94.5Very high95.1Very high37 Ų3747.5 Ų47.526%0.25927%0.272SS..  trans-147.9148.217457.40000111
236P97.4Very high95.1Very high0 Ų048.3 Ų48.30%028%0.278CS..PPolyproline II helixtrans-59.7147166.720.4-27.7000110.9F195 N214 I253 W269 W278F195-P236 HydrophobicContact CE1-CG 4.36Å; F195-P236 HydrophobicContact CE2-CG 3.78Å; F195-P236 HydrophobicContact CZ-CB 4.11Å; F195-P236 HydrophobicContact CZ-CG 3.53Å; N214-P236 WeakPolarHBondContact CB-O 3.45Å; P236-I253 HydrophobicContact CB-CD1 3.77Å; P236-I253 HydrophobicContact CG-CD1 3.5Å; P236-W269 HydrophobicContact CB-CB 4.48Å; P236-W269 HydrophobicContact CB-CD2 3.86Å; P236-W269 HydrophobicContact CB-CG 3.81Å; P236-W269 HydrophobicContact CG-CB 4.38Å; P236-W269 HydrophobicContact CG-CD2 4.24Å; P236-W269 HydrophobicContact CG-CG 4.16Å; P236-W278 VanDerWaalsContact CD-CD2 3.48Å; P236-W278 HydrophobicContact CG-CD2 3.94Å; P236-W278 HydrophobicContact CG-CE3 3.98Å; P236-W278 HydrophobicContact CG-CH2 4.33Å; P236-W278 HydrophobicContact CG-CZ2 4.27Å; P236-W278 HydrophobicContact CG-CZ3 4.18Å
237E98Very high95Very high88 Ų8849.3 Ų49.341%0.41128%0.282SS..PPolyproline II helixtrans-55.9146.4176-165.954-12900111.8R239 L261 F265E237-R239 PolarHBondContact O-N 2.75Å; E237-R239 PolarHBondContact O-NE 3.46Å; E237-L261 HydrophobicContact CG-CD1 3.51Å; E237-F265 HydrophobicContact CB-CE1 3.88Å; E237-F265 HydrophobicContact CB-CZ 3.79Å; E237-F265 HydrophobicContact CG-CE1 4.22Å; E237-F265 HydrophobicContact CG-CZ 3.78Å
238G97.9Very high94.9Very high1 Ų152.5 Ų52.51%0.0130%0.299CS..PPolyproline II helixtrans-60.5134.617800000110.2N258G238-N258 WeakPolarHBondContact O-CB 3.44Å; G238-N258 PolarHBondContact O-ND2 3.48Å
239R98.5Very high95Very high0 Ų048.2 Ų48.20%028%0.275CS..  trans-157.1156.1-171.861.9-171.572.4-165.41.3112F195 G196 G197 E237 H242 G255 Y257 F265 D267F195-R239 HydrophobicContact CE1-CG 4.02Å; G196-R239 CarbonylContact C-O 3.59Å; G196-R239 WeakPolarHBondContact CA-O 3.4Å; G197-R239 PolarHBondContact N-O 2.7Å; E237-R239 PolarHBondContact O-N 2.75Å; E237-R239 PolarHBondContact O-NE 3.46Å; R239-H242 HydrophobicContact CG-CB 4.24Å; R239-G255 WeakPolarHBondContact CD-O 3.18Å; R239-G255 PolarHBondContact NH1-O 3.43Å; R239-Y257 WeakPolarHBondContact CA-O 3.23Å; R239-F265 HydrophobicContact CB-CD2 4.1Å; R239-F265 HydrophobicContact CB-CE2 3.94Å; R239-F265 VanDerWaalsContact NH1-CB 3.34Å; R239-D267 IonicContact CZ-OD1 2.84Å; R239-D267 IonicContact CZ-OD2 3.45Å; R239-D267 IonicContact NH1-OD1 3.99Å; R239-D267 PolarHBondContact NH1-OD1 3.27Å; R239-D267 IonicContact NH1-OD2 2.97Å; R239-D267 IonicContact NH2-OD1 3.86Å; R239-D267 PolarHBondContact NH2-OD1 3.44Å; R239-D267 IonicContact NH2-OD2 3.71Å; R239-D267 PolarHBondContact NH2-OD2 3.36Å
240R98.2Very high95.3Very high18 Ų1847.9 Ų47.97%0.06827%0.271CS..BIsolated β-bridgetrans-117.3164.5170.176.6177.3170.3140.1-3.6111F182 R198 Y212 H242 G256 Y257F182-R240 HydrophobicContact CB-CB 3.91Å; F182-R240 HydrophobicContact CB-CG 4.41Å; F182-R240 CarbonylContact O-C 3.6Å; F182-R240 WeakPolarHBondContact O-CA 3.37Å; R198-R240 HydrophobicContact CB-CB 4.38Å; Y212-R240 HydrophobicContact CD1-CB 4.27Å; Y212-R240 HydrophobicContact CD1-CG 4.43Å; Y212-R240 HydrophobicContact CE1-CB 4.07Å; Y212-R240 HydrophobicContact CE1-CG 3.79Å; R240-H242 PolarHBondContact O-N 3.28Å; R240-H242 VanDerWaalsContact O-N 3.12Å; R240-G256 CarbonylContact O-C 3.56Å; R240-G256 VanDerWaalsContact O-CA 3.29Å; R240-G256 WeakPolarHBondContact O-CA 3.45Å; R240-Y257 PolarHBondContact N-O 3.27Å; R240-Y257 PolarHBondContact O-N 3.44Å
241S98.3Very high95.6Very high10 Ų1043.8 Ų43.87%0.0724%0.244CC..SBendtrans55.629.5173.7-53.80000113.4F182 R293F182-S241 PolarHBondContact O-N 3.23Å; S241-R293 PolarHBondContact O-N 3.12Å
242H98.8Very high96.2Very high15 Ų1538.8 Ų38.87%0.06921%0.212CC..  trans-82.6162.6166.962.8-75.4000109.5S184 F195 R239 R240 F254 G255S184-H242 WeakPolarHBondContact CB-NE2 3.46Å; S184-H242 PolarHBondContact OG-NE2 3.08Å; F195-H242 AromaticContact CD1-CE1 3.91Å; F195-H242 AromaticContact CD1-NE2 3.61Å; F195-H242 PolarHBondContact O-CE1 2.88Å; R239-H242 HydrophobicContact CG-CB 4.24Å; R240-H242 PolarHBondContact O-N 3.28Å; R240-H242 VanDerWaalsContact O-N 3.12Å; H242-F254 WeakPolarHBondContact CB-O 3.31Å; H242-G255 VanDerWaalsContact CB-O 3.25Å; H242-G255 WeakPolarHBondContact CB-O 3.49Å
243S98.3Very high96.7Very high9 Ų937.9 Ų37.96%0.06321%0.207CC..EExtended strand (participates in β ladder)trans-95.3149.4170.7-460000109.7I253 F254 Q294 C296S243-I253 CarbonylContact O-C 3.52Å; S243-I253 VanDerWaalsContact O-CA 3.26Å; S243-I253 WeakPolarHBondContact O-CA 3.31Å; S243-F254 PolarHBondContact N-O 2.9Å; S243-F254 PolarHBondContact O-N 2.72Å; S243-Q294 WeakPolarHBondContact OG-CG 3.3Å; S243-Q294 PolarHBondContact OG-NE2 2.69Å; S243-Q294 PolarHBondContact OG-O 3.09Å; S243-C296 WeakPolarHBondContact CB-SG 2.94Å; S243-C296 PolarHBondContact OG-SG 3.2Å
244A98.4Very high97.5Very high26 Ų2628.9 Ų28.922%0.21517%0.165CC..EExtended strand (participates in β ladder)trans-137.2149.517300000111.1S184 L251 Y252 I253S184-A244 VanDerWaalsContact CB-CB 3.42Å; S184-A244 WeakPolarHBondContact OG-CB 2.96Å; A244-L251 HydrophobicContact CB-CD1 4.16Å; A244-Y252 CarbonylContact C-O 3.58Å; A244-Y252 WeakPolarHBondContact CA-O 3.34Å; A244-Y252 WeakPolarHBondContact CB-O 3.29Å; A244-I253 HydrophobicContact CB-CG2 3.99Å
245F97.8Very high97.8Very high15 Ų1524.2 Ų24.27%0.06614%0.14CC..EExtended strand (participates in β ladder)trans-154.8156.1178.857.3-91.9000111.3Y252 L268 C296 M298 I303 F334F245-Y252 HydrophobicContact CD2-CD2 4.28Å; F245-Y252 HydrophobicContact CD2-CG 4.21Å; F245-Y252 HydrophobicContact CE2-CD1 4.14Å; F245-Y252 AromaticContact CE2-CD2 3.83Å; F245-Y252 HydrophobicContact CE2-CD2 3.83Å; F245-Y252 AromaticContact CE2-CG 3.51Å; F245-Y252 HydrophobicContact CE2-CG 3.51Å; F245-Y252 HydrophobicContact CZ-CD1 4.1Å; F245-Y252 AromaticContact CZ-CG 3.75Å; F245-Y252 HydrophobicContact CZ-CG 3.75Å; F245-Y252 PolarHBondContact N-O 2.85Å; F245-Y252 PolarHBondContact O-N 2.86Å; F245-L268 HydrophobicContact CE1-CD1 4.49Å; F245-L268 HydrophobicContact CZ-CD1 4.26Å; F245-C296 HydrophobicContact CD1-CB 4.29Å; F245-M298 HydrophobicContact CD2-CE 3.54Å; F245-M298 HydrophobicContact CE2-CE 3.89Å; F245-M298 HydrophobicContact CG-CE 4.47Å; F245-I303 HydrophobicContact CB-CD1 4.14Å; F245-I303 HydrophobicContact CD1-CD1 3.68Å; F245-I303 HydrophobicContact CD1-CG1 4.29Å; F245-I303 HydrophobicContact CD2-CD1 3.48Å; F245-I303 VanDerWaalsContact CD2-CD1 3.48Å; F245-I303 HydrophobicContact CD2-CG1 4.01Å; F245-I303 HydrophobicContact CE1-CD1 3.85Å; F245-I303 HydrophobicContact CE1-CG1 3.93Å; F245-I303 HydrophobicContact CE1-CG2 4.42Å; F245-I303 HydrophobicContact CE2-CD1 3.64Å; F245-I303 HydrophobicContact CE2-CG1 3.6Å; F245-I303 HydrophobicContact CG-CD1 3.49Å; F245-I303 VanDerWaalsContact CG-CD1 3.49Å; F245-I303 HydrophobicContact CG-CG1 4.33Å; F245-I303 HydrophobicContact CZ-CD1 3.83Å; F245-I303 HydrophobicContact CZ-CG1 3.57Å; F245-F334 HydrophobicContact CE2-CE2 4.17Å; F245-F334 AromaticContact CE2-CZ 3.78Å; F245-F334 HydrophobicContact CE2-CZ 3.78Å; F245-F334 HydrophobicContact CZ-CE2 4.44Å; F245-F334 HydrophobicContact CZ-CZ 4.06Å
246C97.5Very high98Very high48 Ų4822.5 Ų22.532%0.32413%0.128SC..EExtended strand (participates in β ladder)trans-94.1137.6171.5-179.20000109.9T186 I188 E250 M298T186-C246 HydrophobicContact CG2-CB 3.89Å; I188-C246 HydrophobicContact CD1-CB 4.45Å; I188-C246 HydrophobicContact CG1-CB 4.23Å; C246-E250 WeakPolarHBondContact CA-O 3.2Å; C246-M298 WeakPolarHBondContact O-CE 3.11Å
247Y97Very high98.1Very high29 Ų2922.6 Ų22.611%0.11413%0.129CC..EExtended strand (participates in β ladder)trans-144.7125.7169.3-177.1-111.1000109.5G249 E250 Y252 M298 D301 F334Y247-G249 PolarHBondContact O-N 2.88Å; Y247-E250 PolarHBondContact N-O 2.86Å; Y247-E250 PolarHBondContact O-N 3.44Å; Y247-Y252 HydrophobicContact CD1-CE2 4.32Å; Y247-M298 HydrophobicContact CD2-CE 3.5Å; Y247-M298 HydrophobicContact CD2-SD 3.99Å; Y247-M298 HydrophobicContact CG-CE 3.82Å; Y247-D301 HydrophobicContact CE2-CB 4.34Å; Y247-F334 AromaticContact CD1-CD1 3.42Å; Y247-F334 HydrophobicContact CD1-CD1 3.42Å; Y247-F334 VanDerWaalsContact CD1-CD1 3.42Å; Y247-F334 AromaticContact CD1-CE1 3.6Å; Y247-F334 HydrophobicContact CD1-CE1 3.6Å; Y247-F334 AromaticContact CD1-CG 3.98Å; Y247-F334 HydrophobicContact CD1-CG 3.98Å; Y247-F334 HydrophobicContact CD1-CZ 4.29Å; Y247-F334 HydrophobicContact CE1-CB 3.76Å; Y247-F334 AromaticContact CE1-CD1 3.25Å; Y247-F334 HydrophobicContact CE1-CD1 3.25Å; Y247-F334 HydrophobicContact CE1-CD2 4.48Å; Y247-F334 AromaticContact CE1-CE1 3.96Å; Y247-F334 HydrophobicContact CE1-CE1 3.96Å; Y247-F334 AromaticContact CE1-CG 3.58Å; Y247-F334 HydrophobicContact CE1-CG 3.58Å; Y247-F334 HydrophobicContact CE2-CB 4.44Å; Y247-F334 HydrophobicContact CE2-CG 4.4Å; Y247-F334 HydrophobicContact CG-CD1 4.26Å; Y247-F334 HydrophobicContact CG-CE1 4.25Å; Y247-F334 AromaticContact CZ-CD1 3.99Å; Y247-F334 AromaticContact CZ-CG 3.8Å; Y247-F334 WeakPolarHBondContact OH-CB 3.35Å
248N95.9Very high98.1Very high126 Ų12618.7 Ų18.767%0.67411%0.111SC*.THydrogen-bonded Turntrans48.442.6-179.8-66.4-11000114E250N248-E250 PolarHBondContact O-N 3.23Å
249G97.2Very high97.9Very high37 Ų3720 Ų2038%0.38112%0.121SC..THydrogen-bonded Turntrans75.50.8179.300000115.2Y247 P273Y247-G249 PolarHBondContact O-N 2.88Å; G249-P273 VanDerWaalsContact O-CD 3.29Å; G249-P273 WeakPolarHBondContact O-CD 3.21Å; G249-P273 WeakPolarHBondContact O-CG 3.46Å
250E98.1Very high97.7Very high32 Ų3227 Ų2715%0.1515%0.148CC..EExtended strand (participates in β ladder)trans-102.8144.4174.9-62.8-174.6122.300110.7C246 Y247 N248 Y252 K270C246-E250 WeakPolarHBondContact CA-O 3.2Å; Y247-E250 PolarHBondContact N-O 2.86Å; Y247-E250 PolarHBondContact O-N 3.44Å; N248-E250 PolarHBondContact O-N 3.23Å; E250-Y252 HydrophobicContact CB-CD2 4.44Å; E250-Y252 HydrophobicContact CB-CE2 3.84Å; E250-Y252 PolarHBondContact OE2-OH 2.88Å; E250-K270 IonicContact OE1-NZ 2.84Å; E250-K270 PolarHBondContact OE1-NZ 2.8Å; E250-K270 IonicContact OE2-NZ 3.85Å; E250-K270 PolarHBondContact OE2-NZ 3.4Å
251L98.6Very high97.6Very high0 Ų030.5 Ų30.50%017%0.167CC..EExtended strand (participates in β ladder)trans-88.1130.8173.4168.665.9000109.3T186 I188 F193 I216 A244 K270 F271 W278T186-L251 HydrophobicContact CG2-CD1 4.07Å; I188-L251 HydrophobicContact CD1-CB 3.88Å; F193-L251 HydrophobicContact CB-CD2 4.07Å; I216-L251 HydrophobicContact CD1-CD2 3.69Å; A244-L251 HydrophobicContact CB-CD1 4.16Å; L251-K270 CarbonylContact O-C 3.45Å; L251-K270 VanDerWaalsContact O-CA 3.25Å; L251-K270 WeakPolarHBondContact O-CA 3.18Å; L251-F271 HydrophobicContact CB-CB 4.16Å; L251-F271 HydrophobicContact CB-CD1 4.38Å; L251-F271 PolarHBondContact N-O 2.88Å; L251-F271 PolarHBondContact O-N 2.94Å; L251-W278 HydrophobicContact CD2-CH2 4.18Å
252Y98.6Very high97.3Very high13 Ų1334.7 Ų34.75%0.05119%0.189CC..EExtended strand (participates in β ladder)trans-113.6147.3172.8-72.3-105.4000110.9A244 F245 Y247 E250 L268 W269 K270 V281 F334A244-Y252 CarbonylContact C-O 3.58Å; A244-Y252 WeakPolarHBondContact CA-O 3.34Å; A244-Y252 WeakPolarHBondContact CB-O 3.29Å; F245-Y252 HydrophobicContact CD2-CD2 4.28Å; F245-Y252 HydrophobicContact CD2-CG 4.21Å; F245-Y252 HydrophobicContact CE2-CD1 4.14Å; F245-Y252 AromaticContact CE2-CD2 3.83Å; F245-Y252 HydrophobicContact CE2-CD2 3.83Å; F245-Y252 AromaticContact CE2-CG 3.51Å; F245-Y252 HydrophobicContact CE2-CG 3.51Å; F245-Y252 HydrophobicContact CZ-CD1 4.1Å; F245-Y252 AromaticContact CZ-CG 3.75Å; F245-Y252 HydrophobicContact CZ-CG 3.75Å; F245-Y252 PolarHBondContact N-O 2.85Å; F245-Y252 PolarHBondContact O-N 2.86Å; Y247-Y252 HydrophobicContact CD1-CE2 4.32Å; E250-Y252 HydrophobicContact CB-CD2 4.44Å; E250-Y252 HydrophobicContact CB-CE2 3.84Å; E250-Y252 PolarHBondContact OE2-OH 2.88Å; Y252-L268 HydrophobicContact CD1-CD1 4.06Å; Y252-L268 HydrophobicContact CD1-CD2 4.45Å; Y252-L268 HydrophobicContact CD1-CG 4.27Å; Y252-W269 CarbonylContact C-O 3.44Å; Y252-W269 VanDerWaalsContact CA-O 3.22Å; Y252-W269 WeakPolarHBondContact CA-O 3.29Å; Y252-K270 HydrophobicContact CD1-CB 3.71Å; Y252-K270 HydrophobicContact CD2-CB 4.34Å; Y252-K270 HydrophobicContact CE1-CB 3.49Å; Y252-K270 VanDerWaalsContact CE1-CB 3.49Å; Y252-K270 HydrophobicContact CE1-CD 4.1Å; Y252-K270 HydrophobicContact CE1-CG 4.4Å; Y252-K270 HydrophobicContact CE2-CB 4.12Å; Y252-K270 HydrophobicContact CG-CB 4.14Å; Y252-V281 HydrophobicContact CE1-CG2 4.27Å; Y252-F334 HydrophobicContact CD1-CE1 4.39Å; Y252-F334 HydrophobicContact CD1-CZ 4.28Å; Y252-F334 AromaticContact CE1-CE1 3.68Å; Y252-F334 HydrophobicContact CE1-CE1 3.68Å; Y252-F334 HydrophobicContact CE1-CZ 4.01Å; Y252-F334 HydrophobicContact CE2-CE1 4.3Å; Y252-F334 AromaticContact CZ-CE1 3.64Å
253I98.7Very high97.1Very high0 Ų040.9 Ų40.90%021%0.212CC..EExtended strand (participates in β ladder)trans-130.1145.516966.3168.5000110.9F195 P236 S243 A244 L268 W269 W278F195-I253 HydrophobicContact CD1-CD1 3.79Å; F195-I253 HydrophobicContact CD1-CG2 4.1Å; F195-I253 HydrophobicContact CE1-CD1 3.28Å; F195-I253 HydrophobicContact CZ-CD1 3.75Å; P236-I253 HydrophobicContact CB-CD1 3.77Å; P236-I253 HydrophobicContact CG-CD1 3.5Å; S243-I253 CarbonylContact O-C 3.52Å; S243-I253 VanDerWaalsContact O-CA 3.26Å; S243-I253 WeakPolarHBondContact O-CA 3.31Å; A244-I253 HydrophobicContact CB-CG2 3.99Å; I253-L268 WeakPolarHBondContact O-CD1 3.43Å; I253-W269 HydrophobicContact CD1-CB 4.28Å; I253-W269 HydrophobicContact CG1-CB 3.74Å; I253-W269 PolarHBondContact N-O 2.83Å; I253-W269 PolarHBondContact O-N 2.9Å; I253-W278 HydrophobicContact CD1-CH2 4.14Å; I253-W278 HydrophobicContact CD1-CZ3 4.17Å; I253-W278 HydrophobicContact CG1-CH2 4.23Å; I253-W278 HydrophobicContact CG1-CZ3 3.97Å; I253-W278 HydrophobicContact CG2-CH2 4.07Å; I253-W278 HydrophobicContact CG2-CZ3 4.46Å
254F98.8Very high97.1Very high5 Ų541.4 Ų41.42%0.02221%0.213CC..EExtended strand (participates in β ladder)trans-137.2135.8177.3180-86.9000112W4 H242 S243 N266 L268 P288 R291 Q294 L305W4-F254 HydrophobicContact CZ2-CD2 4.42Å; W4-F254 HydrophobicContact CZ2-CE2 4.07Å; H242-F254 WeakPolarHBondContact CB-O 3.31Å; S243-F254 PolarHBondContact N-O 2.9Å; S243-F254 PolarHBondContact O-N 2.72Å; F254-N266 HydrophobicContact CE2-CB 4.36Å; F254-N266 WeakPolarHBondContact CE2-O 3.4Å; F254-N266 HydrophobicContact CZ-CB 3.9Å; F254-L268 HydrophobicContact CB-CD1 4.17Å; F254-L268 HydrophobicContact CD2-CB 4.33Å; F254-L268 HydrophobicContact CD2-CD1 4.36Å; F254-P288 HydrophobicContact CE1-CG 3.98Å; F254-P288 HydrophobicContact CE2-CG 4.25Å; F254-P288 HydrophobicContact CZ-CB 4.32Å; F254-P288 HydrophobicContact CZ-CG 3.53Å; F254-R291 HydrophobicContact CE1-CG 4.33Å; F254-Q294 PolarHBondContact O-NE2 3.44Å; F254-Q294 VanDerWaalsContact O-NE2 3.15Å; F254-L305 HydrophobicContact CD1-CD1 3.32Å; F254-L305 HydrophobicContact CE1-CD1 3.47Å; F254-L305 VanDerWaalsContact CE1-CD1 3.47Å; F254-L305 HydrophobicContact CG-CD1 4Å; F254-L305 HydrophobicContact CZ-CD1 4.23Å
255G98.4Very high97.1Very high0 Ų040.4 Ų40.40%020%0.204CC..  trans68.5-151170.200000113.9R239 H242 F265 D267R239-G255 WeakPolarHBondContact CD-O 3.18Å; R239-G255 PolarHBondContact NH1-O 3.43Å; H242-G255 VanDerWaalsContact CB-O 3.25Å; H242-G255 WeakPolarHBondContact CB-O 3.49Å; G255-F265 WeakPolarHBondContact CA-O 3.01Å; G255-D267 PolarHBondContact N-O 2.88Å
256G98.4Very high97.1Very high0 Ų043.5 Ų43.50%022%0.221CC..  trans106.7-175-178.800000113.8R240 H264 F265 R291R240-G256 CarbonylContact O-C 3.56Å; R240-G256 VanDerWaalsContact O-CA 3.29Å; R240-G256 WeakPolarHBondContact O-CA 3.45Å; G256-H264 WeakPolarHBondContact O-CA 3.41Å; G256-F265 WeakPolarHBondContact O-CD2 3.39Å; G256-F265 PolarHBondContact O-N 3.48Å; G256-R291 PolarHBondContact N-O 3.23Å
257Y98.1Very high97.1Very high3 Ų342.5 Ų42.51%0.01221%0.212CC..EExtended strand (participates in β ladder)trans-141.4147.9-178.7178.9-111.8000112.7R239 R240 A259 D262 R263 H264 R292 E320R239-Y257 WeakPolarHBondContact CA-O 3.23Å; R240-Y257 PolarHBondContact N-O 3.27Å; R240-Y257 PolarHBondContact O-N 3.44Å; Y257-A259 HydrophobicContact CD1-CB 4.36Å; Y257-A259 VanDerWaalsContact CE1-CA 3.4Å; Y257-A259 HydrophobicContact CE1-CB 3.57Å; Y257-D262 PolarHBondContact OH-OD1 3.44Å; Y257-R263 WeakPolarHBondContact CA-O 3.38Å; Y257-R263 VanDerWaalsContact CD2-C 3.44Å; Y257-R263 WeakPolarHBondContact CD2-O 3.47Å; Y257-H264 HydrophobicContact CD2-CB 4.49Å; Y257-H264 AromaticContact CD2-CD2 3.81Å; Y257-H264 AromaticContact CD2-CE1 3.29Å; Y257-H264 WeakPolarHBondContact CD2-CE1 3.26Å; Y257-H264 AromaticContact CD2-CG 3.67Å; Y257-H264 AromaticContact CD2-ND1 3.33Å; Y257-H264 VanDerWaalsContact CD2-ND1 3.33Å; Y257-H264 WeakPolarHBondContact CD2-ND1 3.41Å; Y257-H264 AromaticContact CD2-NE2 3.58Å; Y257-H264 AromaticContact CE2-CE1 3.38Å; Y257-H264 WeakPolarHBondContact CE2-CE1 3.46Å; Y257-H264 AromaticContact CE2-ND1 3.5Å; Y257-R292 VanDerWaalsContact CB-CD 3.48Å; Y257-E320 PolarHBondContact OH-OE1 3.02Å
258N97.8Very high97.2Very high6 Ų641.4 Ų41.43%0.03221%0.209CC..EExtended strand (participates in β ladder)trans-129.3110.8169.8-176.5-29.2000109.3Y212 G238 R260 L261 D262 R263 F265Y212-N258 WeakPolarHBondContact CD2-OD1 3.36Å; Y212-N258 HydrophobicContact CG-CB 4.48Å; G238-N258 WeakPolarHBondContact O-CB 3.44Å; G238-N258 PolarHBondContact O-ND2 3.48Å; N258-R260 VanDerWaalsContact C-N 3.31Å; N258-R260 PolarHBondContact O-N 3.23Å; N258-R260 WeakPolarHBondContact OD1-CB 3.15Å; N258-R260 PolarHBondContact OD1-N 3.01Å; N258-L261 HydrophobicContact CB-CB 4.36Å; N258-L261 HydrophobicContact CB-CD1 4.37Å; N258-L261 HydrophobicContact CB-CG 4.44Å; N258-L261 PolarHBondContact O-N 3.38Å; N258-L261 PolarHBondContact OD1-N 2.66Å; N258-D262 PolarHBondContact O-N 3.5Å; N258-D262 VanDerWaalsContact O-N 3.08Å; N258-R263 PolarHBondContact N-O 2.98Å; N258-R263 PolarHBondContact O-N 2.71Å; N258-F265 HydrophobicContact CB-CE2 3.83Å; N258-F265 HydrophobicContact CB-CZ 4.16Å
259A94.5Very high97.3Very high29 Ų2936.3 Ų36.324%0.2418%0.18CC..G310 helixtrans-67.3-30.7-177.100000113Y212 Y257 L261 D262Y212-A259 HydrophobicContact CE2-CB 4.13Å; Y212-A259 WeakPolarHBondContact OH-CB 3.39Å; Y257-A259 HydrophobicContact CD1-CB 4.36Å; Y257-A259 VanDerWaalsContact CE1-CA 3.4Å; Y257-A259 HydrophobicContact CE1-CB 3.57Å; A259-L261 PolarHBondContact O-N 3.34Å; A259-D262 PolarHBondContact O-N 3.35Å; A259-D262 VanDerWaalsContact O-N 3.16Å
260R94.5Very high97.4Very high146 Ų14636.8 Ų36.855%0.55117%0.172SC*.G310 helixtrans-69.6-23.3179.6-54.7-171.7102-155.31.8112.7E210 Y212 N258E210-R260 VanDerWaalsContact O-CD 3.24Å; E210-R260 WeakPolarHBondContact O-CD 3.47Å; E210-R260 PolarHBondContact O-NE 3Å; E210-R260 VanDerWaalsContact O-NE 3.09Å; Y212-R260 HydrophobicContact CD2-CG 3.91Å; Y212-R260 HydrophobicContact CE2-CG 3.86Å; N258-R260 VanDerWaalsContact C-N 3.31Å; N258-R260 PolarHBondContact O-N 3.23Å; N258-R260 WeakPolarHBondContact OD1-CB 3.15Å; N258-R260 PolarHBondContact OD1-N 3.01Å
261L95.1Very high97.4Very high91 Ų9135.3 Ų35.348%0.47616%0.164SC..G310 helixtrans-103.6-1.3176.9-57.5-179.5000112.1E237 N258 A259 R263E237-L261 HydrophobicContact CG-CD1 3.51Å; N258-L261 HydrophobicContact CB-CB 4.36Å; N258-L261 HydrophobicContact CB-CD1 4.37Å; N258-L261 HydrophobicContact CB-CG 4.44Å; N258-L261 PolarHBondContact O-N 3.38Å; N258-L261 PolarHBondContact OD1-N 2.66Å; A259-L261 PolarHBondContact O-N 3.34Å; L261-R263 HydrophobicContact CB-CB 3.98Å; L261-R263 PolarHBondContact O-N 3.36Å
262D92.4Very high97.3Very high99 Ų9936.7 Ų36.753%0.52917%0.172SC..THydrogen-bonded Turntrans38.150.4-165-169.831.3000113.6Y257 N258 A259Y257-D262 PolarHBondContact OH-OD1 3.44Å; N258-D262 PolarHBondContact O-N 3.5Å; N258-D262 VanDerWaalsContact O-N 3.08Å; A259-D262 PolarHBondContact O-N 3.35Å; A259-D262 VanDerWaalsContact O-N 3.16Å
263R95.7Very high97.3Very high144 Ų14437.6 Ų37.654%0.54318%0.18SC..EExtended strand (participates in β ladder)trans-126.2120.2-169.6-171.8171.4179.4-175.62.2112.4Y257 N258 L261 F265Y257-R263 WeakPolarHBondContact CA-O 3.38Å; Y257-R263 VanDerWaalsContact CD2-C 3.44Å; Y257-R263 WeakPolarHBondContact CD2-O 3.47Å; N258-R263 PolarHBondContact N-O 2.98Å; N258-R263 PolarHBondContact O-N 2.71Å; L261-R263 HydrophobicContact CB-CB 3.98Å; L261-R263 PolarHBondContact O-N 3.36Å; R263-F265 HydrophobicContact CB-CZ 4.25Å; R263-F265 HydrophobicContact CG-CD1 4.29Å; R263-F265 HydrophobicContact CG-CE1 3.93Å; R263-F265 HydrophobicContact CG-CZ 4.1Å; R263-F265 WeakPolarHBondContact O-CE2 3.35Å
264H97.3Very high97.1Very high21 Ų2146.4 Ų46.410%0.09722%0.221CC..EExtended strand (participates in β ladder)trans-84.2145.9162.3-6877.4000109.7G256 Y257 P290 P311G256-H264 WeakPolarHBondContact O-CA 3.41Å; Y257-H264 HydrophobicContact CD2-CB 4.49Å; Y257-H264 AromaticContact CD2-CD2 3.81Å; Y257-H264 AromaticContact CD2-CE1 3.29Å; Y257-H264 WeakPolarHBondContact CD2-CE1 3.26Å; Y257-H264 AromaticContact CD2-CG 3.67Å; Y257-H264 AromaticContact CD2-ND1 3.33Å; Y257-H264 VanDerWaalsContact CD2-ND1 3.33Å; Y257-H264 WeakPolarHBondContact CD2-ND1 3.41Å; Y257-H264 AromaticContact CD2-NE2 3.58Å; Y257-H264 AromaticContact CE2-CE1 3.38Å; Y257-H264 WeakPolarHBondContact CE2-CE1 3.46Å; Y257-H264 AromaticContact CE2-ND1 3.5Å; H264-P290 HydrophobicContact CB-CB 3.69Å; H264-P311 HydrophobicContact CB-CG 4.41Å; H264-P311 WeakPolarHBondContact ND1-CG 3.12Å
265F98.3Very high96.9Very high5 Ų552.5 Ų52.52%0.02225%0.249CC..  trans-116153.7-178-58.7-82.4000111.5E237 R239 G255 G256 N258 R263 D267 P290 R291E237-F265 HydrophobicContact CB-CE1 3.88Å; E237-F265 HydrophobicContact CB-CZ 3.79Å; E237-F265 HydrophobicContact CG-CE1 4.22Å; E237-F265 HydrophobicContact CG-CZ 3.78Å; R239-F265 HydrophobicContact CB-CD2 4.1Å; R239-F265 HydrophobicContact CB-CE2 3.94Å; R239-F265 VanDerWaalsContact NH1-CB 3.34Å; G255-F265 WeakPolarHBondContact CA-O 3.01Å; G256-F265 WeakPolarHBondContact O-CD2 3.39Å; G256-F265 PolarHBondContact O-N 3.48Å; N258-F265 HydrophobicContact CB-CE2 3.83Å; N258-F265 HydrophobicContact CB-CZ 4.16Å; R263-F265 HydrophobicContact CB-CZ 4.25Å; R263-F265 HydrophobicContact CG-CD1 4.29Å; R263-F265 HydrophobicContact CG-CE1 3.93Å; R263-F265 HydrophobicContact CG-CZ 4.1Å; R263-F265 WeakPolarHBondContact O-CE2 3.35Å; F265-D267 WeakPolarHBondContact CB-OD1 3.16Å; F265-P290 CarbonylContact O-C 3.55Å; F265-P290 VanDerWaalsContact O-CA 3.29Å; F265-P290 WeakPolarHBondContact O-CA 3.38Å; F265-R291 PolarHBondContact O-N 2.72Å
266N97.9Very high96.8Very high80 Ų8053.7 Ų53.743%0.42826%0.255SS..  trans-139.116.6167.463.3-19.3000112.3F254 P288 P290F254-N266 HydrophobicContact CE2-CB 4.36Å; F254-N266 WeakPolarHBondContact CE2-O 3.4Å; F254-N266 HydrophobicContact CZ-CB 3.9Å; N266-P288 PolarHBondContact ND2-O 3.27Å; N266-P290 HydrophobicContact CB-CB 4.47Å; N266-P290 HydrophobicContact CB-CG 4.24Å
267D98.4Very high96.7Very high26 Ų2657.6 Ų57.614%0.13928%0.275CS..  trans-74.514517552.8-9.4000110.6R239 G255 F265 W269R239-D267 IonicContact CZ-OD1 2.84Å; R239-D267 IonicContact CZ-OD2 3.45Å; R239-D267 IonicContact NH1-OD1 3.99Å; R239-D267 PolarHBondContact NH1-OD1 3.27Å; R239-D267 IonicContact NH1-OD2 2.97Å; R239-D267 IonicContact NH2-OD1 3.86Å; R239-D267 PolarHBondContact NH2-OD1 3.44Å; R239-D267 IonicContact NH2-OD2 3.71Å; R239-D267 PolarHBondContact NH2-OD2 3.36Å; G255-D267 PolarHBondContact N-O 2.88Å; F265-D267 WeakPolarHBondContact CB-OD1 3.16Å; D267-W269 VanDerWaalsContact CG-NE1 3.27Å; D267-W269 PolarHBondContact OD2-NE1 2.99Å
268L98.6Very high96.7Very high6 Ų658.1 Ų58.13%0.03128%0.277CS..EExtended strand (participates in β ladder)trans-104126.7171.3-177.266.9000108.3L2 F245 Y252 I253 F254 V281 P283 L332L2-L268 HydrophobicContact CD2-CD2 4.15Å; F245-L268 HydrophobicContact CE1-CD1 4.49Å; F245-L268 HydrophobicContact CZ-CD1 4.26Å; Y252-L268 HydrophobicContact CD1-CD1 4.06Å; Y252-L268 HydrophobicContact CD1-CD2 4.45Å; Y252-L268 HydrophobicContact CD1-CG 4.27Å; I253-L268 WeakPolarHBondContact O-CD1 3.43Å; F254-L268 HydrophobicContact CB-CD1 4.17Å; F254-L268 HydrophobicContact CD2-CB 4.33Å; F254-L268 HydrophobicContact CD2-CD1 4.36Å; L268-V281 HydrophobicContact CB-CB 4.27Å; L268-V281 HydrophobicContact CD2-CB 3.93Å; L268-V281 HydrophobicContact CD2-CG1 3.83Å; L268-V281 HydrophobicContact CG-CB 4Å; L268-V281 HydrophobicContact CG-CG1 4.46Å; L268-V281 PolarHBondContact O-N 3.35Å; L268-P283 HydrophobicContact CD2-CG 3.7Å; L268-L332 HydrophobicContact CD2-CD2 3.74Å
269W98.6Very high96.7Very high20 Ų2064.2 Ų64.28%0.07630%0.303CS..EExtended strand (participates in β ladder)trans-122.5146.6175-70.882000109.9L234 P236 Y252 I253 D267 W278 K280L234-W269 HydrophobicContact CD1-CH2 4.16Å; L234-W269 HydrophobicContact CD2-CH2 3.95Å; L234-W269 HydrophobicContact CD2-CZ3 3.69Å; L234-W269 HydrophobicContact CG-CH2 3.95Å; L234-W269 HydrophobicContact CG-CZ3 3.82Å; P236-W269 HydrophobicContact CB-CB 4.48Å; P236-W269 HydrophobicContact CB-CD2 3.86Å; P236-W269 HydrophobicContact CB-CG 3.81Å; P236-W269 HydrophobicContact CG-CB 4.38Å; P236-W269 HydrophobicContact CG-CD2 4.24Å; P236-W269 HydrophobicContact CG-CG 4.16Å; Y252-W269 CarbonylContact C-O 3.44Å; Y252-W269 VanDerWaalsContact CA-O 3.22Å; Y252-W269 WeakPolarHBondContact CA-O 3.29Å; I253-W269 HydrophobicContact CD1-CB 4.28Å; I253-W269 HydrophobicContact CG1-CB 3.74Å; I253-W269 PolarHBondContact N-O 2.83Å; I253-W269 PolarHBondContact O-N 2.9Å; D267-W269 VanDerWaalsContact CG-NE1 3.27Å; D267-W269 PolarHBondContact OD2-NE1 2.99Å; W269-W278 HydrophobicContact CB-CE3 3.8Å; W269-W278 HydrophobicContact CB-CZ3 3.89Å; W269-W278 HydrophobicContact CE3-CB 4.09Å; W269-W278 HydrophobicContact CZ3-CB 4.3Å; W269-K280 HydrophobicContact CD2-CB 4.05Å; W269-K280 HydrophobicContact CD2-CG 4.18Å; W269-K280 HydrophobicContact CE3-CB 3.95Å; W269-K280 VanDerWaalsContact CE3-N 3.34Å; W269-K280 HydrophobicContact CH2-CB 3.85Å; W269-K280 HydrophobicContact CH2-CG 4.39Å; W269-K280 HydrophobicContact CZ2-CB 3.95Å; W269-K280 HydrophobicContact CZ2-CD 4.03Å; W269-K280 HydrophobicContact CZ2-CG 3.97Å; W269-K280 HydrophobicContact CZ3-CB 3.85Å
270K97.9Very high96.9Very high47 Ų4767.1 Ų67.120%0.20431%0.31CS..EExtended strand (participates in β ladder)trans-121144.3169.375.2178.1-164.4138.50111E250 L251 Y252 W278 K279 V281E250-K270 IonicContact OE1-NZ 2.84Å; E250-K270 PolarHBondContact OE1-NZ 2.8Å; E250-K270 IonicContact OE2-NZ 3.85Å; E250-K270 PolarHBondContact OE2-NZ 3.4Å; L251-K270 CarbonylContact O-C 3.45Å; L251-K270 VanDerWaalsContact O-CA 3.25Å; L251-K270 WeakPolarHBondContact O-CA 3.18Å; Y252-K270 HydrophobicContact CD1-CB 3.71Å; Y252-K270 HydrophobicContact CD2-CB 4.34Å; Y252-K270 HydrophobicContact CE1-CB 3.49Å; Y252-K270 VanDerWaalsContact CE1-CB 3.49Å; Y252-K270 HydrophobicContact CE1-CD 4.1Å; Y252-K270 HydrophobicContact CE1-CG 4.4Å; Y252-K270 HydrophobicContact CE2-CB 4.12Å; Y252-K270 HydrophobicContact CG-CB 4.14Å; K270-W278 CarbonylContact O-C 3.5Å; K270-W278 WeakPolarHBondContact O-CA 3.14Å; K270-K279 HydrophobicContact CG-CB 4.12Å; K270-K279 PolarHBondContact N-O 3.44Å; K270-K279 PolarHBondContact O-N 3.45Å; K270-V281 HydrophobicContact CB-CG2 3.95Å; K270-V281 HydrophobicContact CD-CG2 3.83Å; K270-V281 HydrophobicContact CG-CG2 3.7Å
271F98.5Very high97Very high0 Ų061.2 Ų61.20%029%0.291CS..EExtended strand (participates in β ladder)trans-120.4126.3177.6176.1-101.7000108.9F193 I216 T232 L251 P273 F276 L277 W278F193-F271 HydrophobicContact CD1-CD1 4.5Å; F193-F271 AromaticContact CD1-CE1 3.95Å; F193-F271 HydrophobicContact CD1-CE1 3.95Å; F193-F271 AromaticContact CE1-CE1 3.9Å; F193-F271 HydrophobicContact CE1-CE1 3.9Å; I216-F271 HydrophobicContact CD1-CD1 3.61Å; I216-F271 HydrophobicContact CD1-CD2 4.32Å; I216-F271 HydrophobicContact CD1-CE1 3.6Å; I216-F271 HydrophobicContact CD1-CE2 4.31Å; I216-F271 HydrophobicContact CD1-CG 3.97Å; I216-F271 HydrophobicContact CD1-CZ 3.96Å; I216-F271 HydrophobicContact CG2-CE2 4.18Å; I216-F271 HydrophobicContact CG2-CZ 4.03Å; T232-F271 HydrophobicContact CG2-CE2 4.2Å; L251-F271 HydrophobicContact CB-CB 4.16Å; L251-F271 HydrophobicContact CB-CD1 4.38Å; L251-F271 PolarHBondContact N-O 2.88Å; L251-F271 PolarHBondContact O-N 2.94Å; F271-P273 HydrophobicContact CD1-CG 4.26Å; F271-P273 HydrophobicContact CE1-CB 4.29Å; F271-P273 HydrophobicContact CE1-CG 4.32Å; F271-P273 WeakPolarHBondContact O-CD 3.47Å; F271-F276 HydrophobicContact CE2-CD1 4.31Å; F271-F276 HydrophobicContact CE2-CD2 4.33Å; F271-F276 HydrophobicContact CE2-CE1 4.47Å; F271-F276 HydrophobicContact CE2-CE2 4.5Å; F271-F276 HydrophobicContact CE2-CG 4.2Å; F271-F276 HydrophobicContact CZ-CB 4.43Å; F271-F276 HydrophobicContact CZ-CD1 4.31Å; F271-F276 AromaticContact CZ-CD2 3.56Å; F271-F276 HydrophobicContact CZ-CD2 3.56Å; F271-F276 HydrophobicContact CZ-CE1 4.41Å; F271-F276 AromaticContact CZ-CE2 3.69Å; F271-F276 HydrophobicContact CZ-CE2 3.69Å; F271-F276 AromaticContact CZ-CG 3.87Å; F271-F276 HydrophobicContact CZ-CG 3.87Å; F271-F276 HydrophobicContact CZ-CZ 4.1Å; F271-L277 WeakPolarHBondContact CA-O 3.49Å; F271-W278 HydrophobicContact CB-CD2 3.72Å; F271-W278 HydrophobicContact CB-CE3 3.55Å; F271-W278 HydrophobicContact CB-CH2 3.63Å; F271-W278 HydrophobicContact CB-CZ2 3.79Å; F271-W278 HydrophobicContact CB-CZ3 3.51Å; F271-W278 AromaticContact CD2-CD1 3.8Å; F271-W278 AromaticContact CD2-CD2 3.81Å; F271-W278 HydrophobicContact CD2-CD2 3.81Å; F271-W278 AromaticContact CD2-CE2 3.58Å; F271-W278 AromaticContact CD2-CG 3.94Å; F271-W278 HydrophobicContact CD2-CG 3.94Å; F271-W278 HydrophobicContact CD2-CZ2 4.12Å; F271-W278 AromaticContact CD2-NE1 3.56Å; F271-W278 HydrophobicContact CG-CD2 4.21Å; F271-W278 AromaticContact CG-CE2 3.98Å; F271-W278 HydrophobicContact CG-CH2 4.39Å; F271-W278 HydrophobicContact CG-CZ2 4.09Å
272N97.6Very high97.1Very high29 Ų2963.3 Ų63.316%0.15530%0.298CS..EExtended strand (participates in β ladder)trans-91114.5173.1-177.2-60.2000108.9E274 Q275 F276 L277N272-E274 VanDerWaalsContact C-N 3.33Å; N272-E274 PolarHBondContact O-N 3.31Å; N272-E274 WeakPolarHBondContact OD1-CA 3.2Å; N272-E274 WeakPolarHBondContact OD1-CB 3.17Å; N272-E274 PolarHBondContact OD1-N 2.9Å; N272-Q275 HydrophobicContact CB-CB 4.34Å; N272-Q275 PolarHBondContact OD1-N 3.19Å; N272-F276 VanDerWaalsContact O-CA 3.28Å; N272-F276 WeakPolarHBondContact O-CA 3.33Å; N272-F276 PolarHBondContact O-N 3.46Å; N272-L277 PolarHBondContact N-O 2.64Å; N272-L277 PolarHBondContact O-N 2.92Å
273P96.9Very high97.3Very high33 Ų3359.9 Ų59.921%0.21428%0.281CS..THydrogen-bonded Turntrans-66.7-28.1-178.5-25.337.6000115.3I188 F193 G249 F271I188-P273 HydrophobicContact CD1-CG 4Å; F193-P273 HydrophobicContact CE1-CB 3.94Å; F193-P273 HydrophobicContact CE1-CG 4.37Å; F193-P273 HydrophobicContact CE2-CB 4.49Å; F193-P273 HydrophobicContact CZ-CB 3.67Å; F193-P273 HydrophobicContact CZ-CG 4.13Å; G249-P273 VanDerWaalsContact O-CD 3.29Å; G249-P273 WeakPolarHBondContact O-CD 3.21Å; G249-P273 WeakPolarHBondContact O-CG 3.46Å; F271-P273 HydrophobicContact CD1-CG 4.26Å; F271-P273 HydrophobicContact CE1-CB 4.29Å; F271-P273 HydrophobicContact CE1-CG 4.32Å; F271-P273 WeakPolarHBondContact O-CD 3.47Å
274E94.9Very high97.4Very high185 Ų18558.5 Ų58.586%0.86428%0.279SS*.THydrogen-bonded Turntrans-77.2-46.4-177.9-59.7179.9167.700111.4N272 F276N272-E274 VanDerWaalsContact C-N 3.33Å; N272-E274 PolarHBondContact O-N 3.31Å; N272-E274 WeakPolarHBondContact OD1-CA 3.2Å; N272-E274 WeakPolarHBondContact OD1-CB 3.17Å; N272-E274 PolarHBondContact OD1-N 2.9Å; E274-F276 VanDerWaalsContact C-N 3.34Å
275Q95.1Very high97.2Very high133 Ų13359.6 Ų59.662%0.62130%0.296SS*.THydrogen-bonded Turntrans-82.3-17.2178.4-62-175.6-30.400112.5N272 L277N272-Q275 HydrophobicContact CB-CB 4.34Å; N272-Q275 PolarHBondContact OD1-N 3.19Å; Q275-L277 VanDerWaalsContact C-N 3.35Å; Q275-L277 HydrophobicContact CB-CB 4.35Å; Q275-L277 HydrophobicContact CB-CD1 4.04Å; Q275-L277 HydrophobicContact CB-CG 4.16Å
276F96.1Very high97Very high25 Ų2568.3 Ų68.311%0.1133%0.334CS..THydrogen-bonded Turntrans58.843.6-174.3-149.6-91.8000112.6I216 V218 T229 P230 T232 F271 N272 E274I216-F276 HydrophobicContact CG2-CE1 3.89Å; I216-F276 HydrophobicContact CG2-CE2 3.98Å; I216-F276 HydrophobicContact CG2-CZ 3.27Å; V218-F276 HydrophobicContact CG2-CE2 4.24Å; T229-F276 HydrophobicContact CG2-CE2 3.72Å; T229-F276 HydrophobicContact CG2-CZ 3.8Å; P230-F276 HydrophobicContact CB-CD1 3.93Å; P230-F276 HydrophobicContact CB-CE1 4.43Å; P230-F276 HydrophobicContact CB-CG 4.44Å; P230-F276 HydrophobicContact CG-CB 4.47Å; P230-F276 HydrophobicContact CG-CD1 4.2Å; P230-F276 HydrophobicContact CG-CG 4.23Å; P230-F276 WeakPolarHBondContact O-CE1 3.44Å; T232-F276 HydrophobicContact CG2-CD1 3.65Å; T232-F276 HydrophobicContact CG2-CE1 3.56Å; F271-F276 HydrophobicContact CE2-CD1 4.31Å; F271-F276 HydrophobicContact CE2-CD2 4.33Å; F271-F276 HydrophobicContact CE2-CE1 4.47Å; F271-F276 HydrophobicContact CE2-CE2 4.5Å; F271-F276 HydrophobicContact CE2-CG 4.2Å; F271-F276 HydrophobicContact CZ-CB 4.43Å; F271-F276 HydrophobicContact CZ-CD1 4.31Å; F271-F276 AromaticContact CZ-CD2 3.56Å; F271-F276 HydrophobicContact CZ-CD2 3.56Å; F271-F276 HydrophobicContact CZ-CE1 4.41Å; F271-F276 AromaticContact CZ-CE2 3.69Å; F271-F276 HydrophobicContact CZ-CE2 3.69Å; F271-F276 AromaticContact CZ-CG 3.87Å; F271-F276 HydrophobicContact CZ-CG 3.87Å; F271-F276 HydrophobicContact CZ-CZ 4.1Å; N272-F276 VanDerWaalsContact O-CA 3.28Å; N272-F276 WeakPolarHBondContact O-CA 3.33Å; N272-F276 PolarHBondContact O-N 3.46Å; E274-F276 VanDerWaalsContact C-N 3.34Å
277L96.8Very high96.9Very high82 Ų8265.6 Ų65.643%0.42933%0.325SS..EExtended strand (participates in β ladder)trans-125.9136.6-174.5-70.3174.5000112.4F271 N272 Q275F271-L277 WeakPolarHBondContact CA-O 3.49Å; N272-L277 PolarHBondContact N-O 2.64Å; N272-L277 PolarHBondContact O-N 2.92Å; Q275-L277 VanDerWaalsContact C-N 3.35Å; Q275-L277 HydrophobicContact CB-CB 4.35Å; Q275-L277 HydrophobicContact CB-CD1 4.04Å; Q275-L277 HydrophobicContact CB-CG 4.16Å
278W98.1Very high96.9Very high13 Ų1364.5 Ų64.55%0.04932%0.319CS..EExtended strand (participates in β ladder)trans-89.4142.9167.8-73.6101.8000111.2F195 I216 P236 L251 I253 W269 K270 F271F195-W278 HydrophobicContact CD2-CH2 4.29Å; F195-W278 AromaticContact CD2-CZ2 3.68Å; F195-W278 HydrophobicContact CD2-CZ2 3.68Å; F195-W278 AromaticContact CE2-CZ2 4Å; F195-W278 HydrophobicContact CE2-CZ2 4Å; F195-W278 HydrophobicContact CG-CH2 4.45Å; F195-W278 HydrophobicContact CG-CZ2 4.24Å; I216-W278 HydrophobicContact CD1-CZ2 4.03Å; P236-W278 VanDerWaalsContact CD-CD2 3.48Å; P236-W278 HydrophobicContact CG-CD2 3.94Å; P236-W278 HydrophobicContact CG-CE3 3.98Å; P236-W278 HydrophobicContact CG-CH2 4.33Å; P236-W278 HydrophobicContact CG-CZ2 4.27Å; P236-W278 HydrophobicContact CG-CZ3 4.18Å; L251-W278 HydrophobicContact CD2-CH2 4.18Å; I253-W278 HydrophobicContact CD1-CH2 4.14Å; I253-W278 HydrophobicContact CD1-CZ3 4.17Å; I253-W278 HydrophobicContact CG1-CH2 4.23Å; I253-W278 HydrophobicContact CG1-CZ3 3.97Å; I253-W278 HydrophobicContact CG2-CH2 4.07Å; I253-W278 HydrophobicContact CG2-CZ3 4.46Å; W269-W278 HydrophobicContact CB-CE3 3.8Å; W269-W278 HydrophobicContact CB-CZ3 3.89Å; W269-W278 HydrophobicContact CE3-CB 4.09Å; W269-W278 HydrophobicContact CZ3-CB 4.3Å; K270-W278 CarbonylContact O-C 3.5Å; K270-W278 WeakPolarHBondContact O-CA 3.14Å; F271-W278 HydrophobicContact CB-CD2 3.72Å; F271-W278 HydrophobicContact CB-CE3 3.55Å; F271-W278 HydrophobicContact CB-CH2 3.63Å; F271-W278 HydrophobicContact CB-CZ2 3.79Å; F271-W278 HydrophobicContact CB-CZ3 3.51Å; F271-W278 AromaticContact CD2-CD1 3.8Å; F271-W278 AromaticContact CD2-CD2 3.81Å; F271-W278 HydrophobicContact CD2-CD2 3.81Å; F271-W278 AromaticContact CD2-CE2 3.58Å; F271-W278 AromaticContact CD2-CG 3.94Å; F271-W278 HydrophobicContact CD2-CG 3.94Å; F271-W278 HydrophobicContact CD2-CZ2 4.12Å; F271-W278 AromaticContact CD2-NE1 3.56Å; F271-W278 HydrophobicContact CG-CD2 4.21Å; F271-W278 AromaticContact CG-CE2 3.98Å; F271-W278 HydrophobicContact CG-CH2 4.39Å; F271-W278 HydrophobicContact CG-CZ2 4.09Å
279K97.6Very high96.8Very high135 Ų13566.2 Ų66.259%0.58733%0.331SS*.EExtended strand (participates in β ladder)trans-135.3129.4170.2-178170.6-179.6174.30109.7K270K270-K279 HydrophobicContact CG-CB 4.12Å; K270-K279 PolarHBondContact N-O 3.44Å; K270-K279 PolarHBondContact O-N 3.45Å
280K97.8Very high96.7Very high90 Ų9067.6 Ų67.639%0.39134%0.343SS..EExtended strand (participates in β ladder)trans-69.8134.9170.1-162.1-179.6-177.6-141.80109.2W269 E282W269-K280 HydrophobicContact CD2-CB 4.05Å; W269-K280 HydrophobicContact CD2-CG 4.18Å; W269-K280 HydrophobicContact CE3-CB 3.95Å; W269-K280 VanDerWaalsContact CE3-N 3.34Å; W269-K280 HydrophobicContact CH2-CB 3.85Å; W269-K280 HydrophobicContact CH2-CG 4.39Å; W269-K280 HydrophobicContact CZ2-CB 3.95Å; W269-K280 HydrophobicContact CZ2-CD 4.03Å; W269-K280 HydrophobicContact CZ2-CG 3.97Å; W269-K280 HydrophobicContact CZ3-CB 3.85Å; K280-E282 WeakPolarHBondContact CD-OE1 3.38Å; K280-E282 WeakPolarHBondContact CE-OE1 3.27Å; K280-E282 IonicContact NZ-OE1 3.78Å; K280-E282 PolarHBondContact NZ-OE1 3.27Å
281V97.5Very high96.7Very high22 Ų2265.4 Ų65.413%0.13333%0.333CS..EExtended strand (participates in β ladder)trans-110.3133.8179.8-175.90000108L2 Y252 L268 K270 P283L2-V281 HydrophobicContact CD2-CG1 3.35Å; Y252-V281 HydrophobicContact CE1-CG2 4.27Å; L268-V281 HydrophobicContact CB-CB 4.27Å; L268-V281 HydrophobicContact CD2-CB 3.93Å; L268-V281 HydrophobicContact CD2-CG1 3.83Å; L268-V281 HydrophobicContact CG-CB 4Å; L268-V281 HydrophobicContact CG-CG1 4.46Å; L268-V281 PolarHBondContact O-N 3.35Å; K270-V281 HydrophobicContact CB-CG2 3.95Å; K270-V281 HydrophobicContact CD-CG2 3.83Å; K270-V281 HydrophobicContact CG-CG2 3.7Å; V281-P283 WeakPolarHBondContact O-CD 3.2Å
282E96.8Very high96.7Very high135 Ų13566 Ų6663%0.63134%0.336SS*.  trans-116.288.6179.5-61.1-64.7168.500109K280K280-E282 WeakPolarHBondContact CD-OE1 3.38Å; K280-E282 WeakPolarHBondContact CE-OE1 3.27Å; K280-E282 IonicContact NZ-OE1 3.78Å; K280-E282 PolarHBondContact NZ-OE1 3.27Å
283P97.2Very high96.7Very high27 Ų2766.7 Ų66.718%0.17534%0.336CS..  trans-63.5146.1175.2-21.734000111.9L2 L268 V281 L332L2-P283 HydrophobicContact CD2-CB 4.36Å; L2-P283 HydrophobicContact CD2-CG 4.03Å; L2-P283 HydrophobicContact CG-CB 4.26Å; L2-P283 HydrophobicContact CG-CG 4.42Å; L268-P283 HydrophobicContact CD2-CG 3.7Å; V281-P283 WeakPolarHBondContact O-CD 3.2Å; P283-L332 HydrophobicContact CB-CD1 3.65Å; P283-L332 HydrophobicContact CG-CD1 3.86Å
284K96.5Very high96.7Very high115 Ų11565.6 Ų65.650%0.533%0.328SS..BIsolated β-bridgetrans-73.4162167.7-74.3-175.9165.3170.20111.4M1 L2 R3 W4M1-K284 HydrophobicContact CG-CD 4.29Å; M1-K284 HydrophobicContact SD-CD 3.46Å; M1-K284 WeakPolarHBondContact SD-CD 3.13Å; M1-K284 WeakPolarHBondContact SD-CE 3.34Å; M1-K284 HydrophobicContact SD-CG 3.96Å; M1-K284 PolarHBondContact SD-NZ 3.31Å; L2-K284 PolarHBondContact O-N 3.1Å; L2-K284 VanDerWaalsContact O-N 3.1Å; R3-K284 CarbonylContact C-O 3.55Å; R3-K284 WeakPolarHBondContact CA-O 3.41Å; R3-K284 HydrophobicContact CB-CB 3.78Å; R3-K284 VanDerWaalsContact CB-O 3.3Å; R3-K284 WeakPolarHBondContact CB-O 3.29Å; W4-K284 PolarHBondContact N-O 3.14Å
285G93.9Very high96.9Very high44 Ų4457.5 Ų57.545%0.45429%0.292SS..SBendtrans82.4170178.100000113.3G287G285-G287 PolarHBondContact O-N 2.84Å
286K94.6Very high96.9Very high187 Ų18752.2 Ų52.281%0.81327%0.269SS*.  trans-79.1111.7179.9-171.4177.9-179.6-177.50109.5W4W4-K286 WeakPolarHBondContact CB-O 3.5Å
287G96.1Very high97Very high23 Ų2351.4 Ų51.424%0.23727%0.267CS..  trans-89.9178.4174.800000113.4G285G285-G287 PolarHBondContact O-N 2.84Å
288P97.1Very high97Very high3 Ų349.8 Ų49.82%0.01926%0.257CS..PPolyproline II helixtrans-62.1152.2175.615.8-21.7000113W4 F254 N266 L305 Y330W4-P288 HydrophobicContact CH2-CG 3.92Å; W4-P288 HydrophobicContact CZ2-CG 4.02Å; W4-P288 HydrophobicContact CZ3-CG 4.41Å; F254-P288 HydrophobicContact CE1-CG 3.98Å; F254-P288 HydrophobicContact CE2-CG 4.25Å; F254-P288 HydrophobicContact CZ-CB 4.32Å; F254-P288 HydrophobicContact CZ-CG 3.53Å; N266-P288 PolarHBondContact ND2-O 3.27Å; P288-L305 HydrophobicContact CB-CD2 4.24Å; P288-L305 HydrophobicContact CG-CD1 4.07Å; P288-L305 HydrophobicContact CG-CD2 3.98Å; P288-Y330 HydrophobicContact CB-CD2 3.76Å; P288-Y330 HydrophobicContact CB-CE1 4.37Å; P288-Y330 HydrophobicContact CB-CE2 3.61Å; P288-Y330 HydrophobicContact CB-CG 4.22Å; P288-Y330 HydrophobicContact CG-CD1 4.43Å; P288-Y330 HydrophobicContact CG-CD2 4.06Å; P288-Y330 HydrophobicContact CG-CE2 4.37Å; P288-Y330 HydrophobicContact CG-CG 4.1Å
289C96.4Very high97Very high43 Ų4349.8 Ų49.829%0.29126%0.259SS..PPolyproline II helixtrans-64.3163.8170.466.60000111.8R291C289-R291 WeakPolarHBondContact O-CG 3.29Å; C289-R291 PolarHBondContact O-N 2.93Å; C289-R291 PolarHBondContact O-NE 2.88Å; C289-R291 PolarHBondContact SG-NH2 2.82Å
290P97.4Very high96.8Very high49 Ų4946.2 Ų46.232%0.31826%0.261SS..SBendtrans-52.5122.2171-26.435.7000112.2H264 F265 N266 S310H264-P290 HydrophobicContact CB-CB 3.69Å; F265-P290 CarbonylContact O-C 3.55Å; F265-P290 VanDerWaalsContact O-CA 3.29Å; F265-P290 WeakPolarHBondContact O-CA 3.38Å; N266-P290 HydrophobicContact CB-CB 4.47Å; N266-P290 HydrophobicContact CB-CG 4.24Å; P290-S310 WeakPolarHBondContact O-CB 3.46Å
291R97.7Very high96.6Very high0 Ų046 Ų460%026%0.264CS..  trans-154.2162.5-172.164.4-179.263.9-167.80.6113.7F254 G256 F265 C289 Q294 G307 T309 D328F254-R291 HydrophobicContact CE1-CG 4.33Å; G256-R291 PolarHBondContact N-O 3.23Å; F265-R291 PolarHBondContact O-N 2.72Å; C289-R291 WeakPolarHBondContact O-CG 3.29Å; C289-R291 PolarHBondContact O-N 2.93Å; C289-R291 PolarHBondContact O-NE 2.88Å; C289-R291 PolarHBondContact SG-NH2 2.82Å; R291-Q294 HydrophobicContact CG-CG 4.41Å; R291-Q294 PolarHBondContact O-OE1 2.84Å; R291-G307 PolarHBondContact NH1-O 2.86Å; R291-T309 CarbonylContact C-O 3.59Å; R291-T309 WeakPolarHBondContact CA-O 3.23Å; R291-T309 WeakPolarHBondContact CB-O 3.33Å; R291-D328 IonicContact CZ-OD1 3.68Å; R291-D328 IonicContact CZ-OD2 3.46Å; R291-D328 IonicContact NH1-OD1 3.5Å; R291-D328 PolarHBondContact NH1-OD1 2.9Å; R291-D328 IonicContact NH1-OD2 3.79Å; R291-D328 PolarHBondContact NH1-OD2 3.26Å; R291-D328 IonicContact NH2-OD1 3.08Å; R291-D328 IonicContact NH2-OD2 3.68Å; R291-D328 PolarHBondContact NH2-OD2 3.33Å
292R97.6Very high96.6Very high14 Ų1448.6 Ų48.65%0.05327%0.271CS..BIsolated β-bridgetrans-132.7162.6176.570.1-175.2-170.7-167.95.5111.3Y257 Q294 G308 T309Y257-R292 VanDerWaalsContact CB-CD 3.48Å; R292-Q294 PolarHBondContact O-N 2.8Å; R292-Q294 PolarHBondContact O-OE1 2.88Å; R292-G308 CarbonylContact O-C 3.52Å; R292-G308 WeakPolarHBondContact O-CA 3.39Å; R292-T309 PolarHBondContact N-O 2.9Å; R292-T309 PolarHBondContact O-N 2.92Å
293R97.8Very high96.6Very high42 Ų4242.3 Ų42.316%0.15824%0.241CC..SBendtrans61.722173.2-60.5172.6166.8179.7-0.9114.2V15 N16 Y32 S241 G308V15-R293 HydrophobicContact CG1-CB 3.64Å; V15-R293 HydrophobicContact CG1-CG 4.33Å; N16-R293 HydrophobicContact CB-CB 4.11Å; N16-R293 HydrophobicContact CB-CG 4.24Å; N16-R293 PolarHBondContact N-O 3.33Å; Y32-R293 PolarHBondContact OH-NH1 3.01Å; S241-R293 PolarHBondContact O-N 3.12Å; R293-G308 WeakPolarHBondContact O-CA 3.09Å
294Q98.1Very high96.7Very high10 Ų1041 Ų415%0.04723%0.233CC..  trans-80.9157.4168.674.6-71.1-16.900111.2S243 F254 R291 R292 L305 G307S243-Q294 WeakPolarHBondContact OG-CG 3.3Å; S243-Q294 PolarHBondContact OG-NE2 2.69Å; S243-Q294 PolarHBondContact OG-O 3.09Å; F254-Q294 PolarHBondContact O-NE2 3.44Å; F254-Q294 VanDerWaalsContact O-NE2 3.15Å; R291-Q294 HydrophobicContact CG-CG 4.41Å; R291-Q294 PolarHBondContact O-OE1 2.84Å; R292-Q294 PolarHBondContact O-N 2.8Å; R292-Q294 PolarHBondContact O-OE1 2.88Å; Q294-L305 HydrophobicContact CG-CD1 4.23Å; Q294-L305 HydrophobicContact CG-CD2 4.29Å; Q294-L305 HydrophobicContact CG-CG 4.09Å; Q294-G307 VanDerWaalsContact CB-O 3.3Å; Q294-G307 WeakPolarHBondContact CB-O 3.33Å
295C97.9Very high96.8Very high16 Ų1635.6 Ų35.611%0.10821%0.21CC..EExtended strand (participates in β ladder)trans-98.6150.3168.8-77.80000111.4H17 A19 L305 F306H17-C295 PolarHBondContact CD2-SG 3.34Å; H17-C295 VanDerWaalsContact NE2-CB 3.33Å; H17-C295 WeakPolarHBondContact NE2-CB 3.23Å; H17-C295 PolarHBondContact NE2-SG 2.68Å; H17-C295 PolarHBondContact O-SG 3.43Å; A19-C295 HydrophobicContact CB-CB 3.76Å; C295-L305 WeakPolarHBondContact O-CA 3.37Å; C295-F306 HydrophobicContact CB-CE1 4.18Å; C295-F306 HydrophobicContact CB-CZ 4.14Å; C295-F306 PolarHBondContact N-O 3.08Å; C295-F306 VanDerWaalsContact N-O 3.13Å; C295-F306 PolarHBondContact O-N 3.23Å; C295-F306 VanDerWaalsContact O-N 3.13Å
296C96.4Very high97Very high22 Ų2233.7 Ų33.715%0.14919%0.189CC..EExtended strand (participates in β ladder)trans-129.5130.6168.3-680000109.1S243 F245 I303 V304 L305S243-C296 WeakPolarHBondContact CB-SG 2.94Å; S243-C296 PolarHBondContact OG-SG 3.2Å; F245-C296 HydrophobicContact CD1-CB 4.29Å; C296-I303 HydrophobicContact CB-CG2 4.05Å; C296-V304 CarbonylContact C-O 3.55Å; C296-V304 VanDerWaalsContact CA-O 3.32Å; C296-V304 WeakPolarHBondContact CA-O 3.29Å; C296-L305 VanDerWaalsContact SG-CD1 3.58Å
297C97.8Very high97.1Very high8 Ų824.8 Ų24.85%0.05415%0.15CC..EExtended strand (participates in β ladder)trans-127135174.8-59.80000110.6A19 A21 V26 I303 V304A19-C297 VanDerWaalsContact C-SG 3.54Å; A19-C297 VanDerWaalsContact CB-SG 3.57Å; A21-C297 HydrophobicContact CB-CB 4.12Å; V26-C297 HydrophobicContact CG1-CB 3.93Å; V26-C297 VanDerWaalsContact CG1-SG 3.56Å; V26-C297 HydrophobicContact CG2-CB 3.91Å; C297-I303 WeakPolarHBondContact O-CA 3.41Å; C297-V304 PolarHBondContact N-O 3.05Å; C297-V304 PolarHBondContact O-N 3.07Å
298M96.8Very high97.2Very high47 Ų4723.7 Ų23.723%0.23214%0.139CC..EExtended strand (participates in β ladder)trans-81.5124.8173.4-169.367.775.700110A21 F245 C246 Y247 G300 R302 I303A21-M298 WeakPolarHBondContact CB-O 3.11Å; F245-M298 HydrophobicContact CD2-CE 3.54Å; F245-M298 HydrophobicContact CE2-CE 3.89Å; F245-M298 HydrophobicContact CG-CE 4.47Å; C246-M298 WeakPolarHBondContact O-CE 3.11Å; Y247-M298 HydrophobicContact CD2-CE 3.5Å; Y247-M298 HydrophobicContact CD2-SD 3.99Å; Y247-M298 HydrophobicContact CG-CE 3.82Å; M298-G300 WeakPolarHBondContact CG-O 3.21Å; M298-R302 WeakPolarHBondContact CA-O 3.46Å; M298-I303 HydrophobicContact CB-CD1 4.1Å; M298-I303 HydrophobicContact CE-CD1 3.51Å; M298-I303 HydrophobicContact CE-CG1 3.92Å; M298-I303 HydrophobicContact SD-CD1 3.73Å; M298-I303 HydrophobicContact SD-CG1 3.99Å
299V97.1Very high97.2Very high13 Ų1323.5 Ų23.58%0.07914%0.138CC..EExtended strand (participates in β ladder)trans-130.2100176.5-174.70000108.2A21 V26 S51 D301 R302 V304A21-V299 HydrophobicContact CB-CG2 3.98Å; V26-V299 HydrophobicContact CG2-CG2 3.51Å; S51-V299 WeakPolarHBondContact OG-CG1 3.11Å; V299-D301 PolarHBondContact O-N 3.03Å; V299-R302 PolarHBondContact N-O 3.14Å; V299-R302 PolarHBondContact O-N 2.73Å; V299-V304 HydrophobicContact CB-CG2 4.49Å; V299-V304 HydrophobicContact CG2-CG2 4.01Å
300G93.9Very high97.1Very high61 Ų6121.7 Ų21.763%0.62913%0.126SC*.THydrogen-bonded Turntrans59.9-129.3-166.200000110.6M298 R302M298-G300 WeakPolarHBondContact CG-O 3.21Å; G300-R302 VanDerWaalsContact C-N 3.28Å; G300-R302 PolarHBondContact O-N 2.84Å
301D94.1Very high96.8Very high85 Ų8522.3 Ų22.346%0.45513%0.13SC..THydrogen-bonded Turntrans-92.326.1178.3-58.4-41.3000113.5Y247 V299 F334Y247-D301 HydrophobicContact CE2-CB 4.34Å; V299-D301 PolarHBondContact O-N 3.03Å; D301-F334 WeakPolarHBondContact O-CB 3.39Å; D301-F334 PolarHBondContact O-N 2.9Å; D301-F334 VanDerWaalsContact O-N 3.1Å
302R97.3Very high96.1Very high77 Ų7725 Ų2529%0.29115%0.147SC..EExtended strand (participates in β ladder)trans-130.8138.3-173.7-61.4178179.1-153.4-9111.4M298 V299 G300 I331 L332 D333 T340M298-R302 WeakPolarHBondContact CA-O 3.46Å; V299-R302 PolarHBondContact N-O 3.14Å; V299-R302 PolarHBondContact O-N 2.73Å; G300-R302 VanDerWaalsContact C-N 3.28Å; G300-R302 PolarHBondContact O-N 2.84Å; R302-I331 HydrophobicContact CB-CG2 3.89Å; R302-I331 HydrophobicContact CG-CG2 4.22Å; R302-L332 VanDerWaalsContact CA-O 3.31Å; R302-L332 WeakPolarHBondContact CA-O 3.47Å; R302-D333 HydrophobicContact CG-CB 4.4Å; R302-D333 IonicContact CZ-OD2 2.88Å; R302-D333 IonicContact NE-OD2 3.97Å; R302-D333 PolarHBondContact NE-OD2 2.94Å; R302-D333 IonicContact NH2-OD2 3.91Å; R302-D333 PolarHBondContact NH2-OD2 2.66Å; R302-T340 PolarHBondContact NH2-OG1 3.12Å
303I97.9Very high94.8Very high2 Ų229 Ų291%0.0118%0.176CC..EExtended strand (participates in β ladder)trans-95.7125.9168.1-70.9-72000109.2F245 C296 C297 M298 L305 I331 L332 F334F245-I303 HydrophobicContact CB-CD1 4.14Å; F245-I303 HydrophobicContact CD1-CD1 3.68Å; F245-I303 HydrophobicContact CD1-CG1 4.29Å; F245-I303 HydrophobicContact CD2-CD1 3.48Å; F245-I303 VanDerWaalsContact CD2-CD1 3.48Å; F245-I303 HydrophobicContact CD2-CG1 4.01Å; F245-I303 HydrophobicContact CE1-CD1 3.85Å; F245-I303 HydrophobicContact CE1-CG1 3.93Å; F245-I303 HydrophobicContact CE1-CG2 4.42Å; F245-I303 HydrophobicContact CE2-CD1 3.64Å; F245-I303 HydrophobicContact CE2-CG1 3.6Å; F245-I303 HydrophobicContact CG-CD1 3.49Å; F245-I303 VanDerWaalsContact CG-CD1 3.49Å; F245-I303 HydrophobicContact CG-CG1 4.33Å; F245-I303 HydrophobicContact CZ-CD1 3.83Å; F245-I303 HydrophobicContact CZ-CG1 3.57Å; C296-I303 HydrophobicContact CB-CG2 4.05Å; C297-I303 WeakPolarHBondContact O-CA 3.41Å; M298-I303 HydrophobicContact CB-CD1 4.1Å; M298-I303 HydrophobicContact CE-CD1 3.51Å; M298-I303 HydrophobicContact CE-CG1 3.92Å; M298-I303 HydrophobicContact SD-CD1 3.73Å; M298-I303 HydrophobicContact SD-CG1 3.99Å; I303-L305 HydrophobicContact CG2-CB 4.4Å; I303-I331 CarbonylContact O-C 3.59Å; I303-I331 VanDerWaalsContact O-CA 3.28Å; I303-I331 WeakPolarHBondContact O-CA 3.16Å; I303-L332 HydrophobicContact CB-CB 4.19Å; I303-L332 PolarHBondContact N-O 3.03Å; I303-L332 PolarHBondContact O-N 3.47Å; I303-F334 HydrophobicContact CG1-CE2 3.82Å
304V98.5Very high93.1Very high1 Ų134.6 Ų34.61%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-95.9113.4167.1-176.20000107.7V26 F49 C296 C297 V299 F306 L329 I331V26-V304 HydrophobicContact CG2-CB 4.38Å; V26-V304 HydrophobicContact CG2-CG2 4.37Å; F49-V304 HydrophobicContact CD1-CG1 4Å; F49-V304 HydrophobicContact CD1-CG2 4.41Å; F49-V304 HydrophobicContact CE1-CG1 3.97Å; F49-V304 HydrophobicContact CE1-CG2 4.07Å; C296-V304 CarbonylContact C-O 3.55Å; C296-V304 VanDerWaalsContact CA-O 3.32Å; C296-V304 WeakPolarHBondContact CA-O 3.29Å; C297-V304 PolarHBondContact N-O 3.05Å; C297-V304 PolarHBondContact O-N 3.07Å; V299-V304 HydrophobicContact CB-CG2 4.49Å; V299-V304 HydrophobicContact CG2-CG2 4.01Å; V304-F306 HydrophobicContact CG1-CD1 4.06Å; V304-L329 HydrophobicContact CG1-CD1 3.54Å; V304-L329 HydrophobicContact CG1-CD2 4.37Å; V304-L329 HydrophobicContact CG1-CG 3.94Å; V304-I331 HydrophobicContact CG2-CG1 4.5Å
305L98.5Very high91Very high1 Ų140.9 Ų40.91%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-112.6130.5178.1178.9158.6000109.4W4 F254 P288 Q294 C295 C296 I303 L329 Y330W4-L305 HydrophobicContact CH2-CD1 4.08Å; W4-L305 HydrophobicContact CZ3-CB 4.46Å; F254-L305 HydrophobicContact CD1-CD1 3.32Å; F254-L305 HydrophobicContact CE1-CD1 3.47Å; F254-L305 VanDerWaalsContact CE1-CD1 3.47Å; F254-L305 HydrophobicContact CG-CD1 4Å; F254-L305 HydrophobicContact CZ-CD1 4.23Å; P288-L305 HydrophobicContact CB-CD2 4.24Å; P288-L305 HydrophobicContact CG-CD1 4.07Å; P288-L305 HydrophobicContact CG-CD2 3.98Å; Q294-L305 HydrophobicContact CG-CD1 4.23Å; Q294-L305 HydrophobicContact CG-CD2 4.29Å; Q294-L305 HydrophobicContact CG-CG 4.09Å; C295-L305 WeakPolarHBondContact O-CA 3.37Å; C296-L305 VanDerWaalsContact SG-CD1 3.58Å; I303-L305 HydrophobicContact CG2-CB 4.4Å; L305-L329 CarbonylContact O-C 3.54Å; L305-L329 WeakPolarHBondContact O-CA 3.43Å; L305-Y330 HydrophobicContact CD2-CD2 4.22Å; L305-Y330 PolarHBondContact N-O 2.82Å; L305-Y330 PolarHBondContact O-N 3.29Å
306F98.4Very high88.7Confident3 Ų344.1 Ų44.11%0.01327%0.269CS..EExtended strand (participates in β ladder)trans-156.7158.3-179.763-78.5000113H17 A19 V26 W56 C295 V304 D328 L329H17-F306 AromaticContact CD2-CE2 3.9Å; H17-F306 AromaticContact CE1-CE2 3.93Å; H17-F306 AromaticContact NE2-CD2 3.67Å; H17-F306 AromaticContact NE2-CE2 3.08Å; H17-F306 WeakPolarHBondContact NE2-CE2 3.35Å; H17-F306 AromaticContact NE2-CZ 3.57Å; A19-F306 HydrophobicContact CB-CE1 4.17Å; A19-F306 HydrophobicContact CB-CZ 3.61Å; V26-F306 HydrophobicContact CG1-CE1 3.95Å; V26-F306 HydrophobicContact CG1-CZ 4.17Å; W56-F306 HydrophobicContact CH2-CD1 4.28Å; W56-F306 AromaticContact CH2-CD2 3.72Å; W56-F306 HydrophobicContact CH2-CD2 3.72Å; W56-F306 HydrophobicContact CH2-CE1 4.07Å; W56-F306 AromaticContact CH2-CE2 3.45Å; W56-F306 HydrophobicContact CH2-CE2 3.45Å; W56-F306 VanDerWaalsContact CH2-CE2 3.45Å; W56-F306 HydrophobicContact CH2-CG 4.13Å; W56-F306 AromaticContact CH2-CZ 3.65Å; W56-F306 HydrophobicContact CH2-CZ 3.65Å; W56-F306 HydrophobicContact CZ2-CB 4.38Å; W56-F306 HydrophobicContact CZ2-CD1 4.19Å; W56-F306 AromaticContact CZ2-CD2 3.69Å; W56-F306 HydrophobicContact CZ2-CD2 3.69Å; W56-F306 HydrophobicContact CZ2-CE1 4.43Å; W56-F306 AromaticContact CZ2-CE2 3.94Å; W56-F306 HydrophobicContact CZ2-CE2 3.94Å; W56-F306 AromaticContact CZ2-CG 3.82Å; W56-F306 HydrophobicContact CZ2-CG 3.82Å; W56-F306 HydrophobicContact CZ2-CZ 4.31Å; W56-F306 HydrophobicContact CZ3-CE2 4.46Å; C295-F306 HydrophobicContact CB-CE1 4.18Å; C295-F306 HydrophobicContact CB-CZ 4.14Å; C295-F306 PolarHBondContact N-O 3.08Å; C295-F306 VanDerWaalsContact N-O 3.13Å; C295-F306 PolarHBondContact O-N 3.23Å; C295-F306 VanDerWaalsContact O-N 3.13Å; V304-F306 HydrophobicContact CG1-CD1 4.06Å; F306-D328 WeakPolarHBondContact CA-O 3.24Å; F306-D328 VanDerWaalsContact CB-O 3.26Å; F306-D328 WeakPolarHBondContact CB-O 3.5Å; F306-L329 HydrophobicContact CB-CB 4.12Å; F306-L329 HydrophobicContact CB-CD1 4.42Å; F306-L329 HydrophobicContact CB-CG 4.34Å
307G97.3Very high86.1Confident0 Ų050.6 Ų50.60%030%0.299CS..  trans70.5-155.7179.300000114.3R14 R291 Q294 H326 D328R14-G307 WeakPolarHBondContact O-CA 3.34Å; R291-G307 PolarHBondContact NH1-O 2.86Å; Q294-G307 VanDerWaalsContact CB-O 3.3Å; Q294-G307 WeakPolarHBondContact CB-O 3.33Å; G307-H326 WeakPolarHBondContact CA-O 3.26Å; G307-D328 PolarHBondContact N-O 3.35Å
308G97.4Very high83.7Confident0 Ų053.7 Ų53.70%033%0.332CS..  trans82.4-170.7-174.900000113.4R14 R292 R293 H326R14-G308 PolarHBondContact O-N 2.94Å; R292-G308 CarbonylContact O-C 3.52Å; R292-G308 WeakPolarHBondContact O-CA 3.39Å; R293-G308 WeakPolarHBondContact O-CA 3.09Å; G308-H326 PolarHBondContact O-CD2 2.82Å; G308-H326 PolarHBondContact O-N 3.12Å
309T96.4Very high81.4Confident0 Ų056.6 Ų56.60%035%0.348CS..EExtended strand (participates in β ladder)trans-131.3150.9-178.258.90000113.4V15 R291 R292 M324 D325V15-T309 HydrophobicContact CB-CG2 4.1Å; V15-T309 HydrophobicContact CG1-CG2 3.59Å; V15-T309 HydrophobicContact CG2-CG2 3.33Å; R291-T309 CarbonylContact C-O 3.59Å; R291-T309 WeakPolarHBondContact CA-O 3.23Å; R291-T309 WeakPolarHBondContact CB-O 3.33Å; R292-T309 PolarHBondContact N-O 2.9Å; R292-T309 PolarHBondContact O-N 2.92Å; T309-M324 WeakPolarHBondContact CA-O 3.45Å; T309-M324 WeakPolarHBondContact CB-O 3.34Å; T309-D325 WeakPolarHBondContact CG2-OD1 3.39Å
310S95.3Very high79.2Confident5 Ų560.6 Ų60.64%0.03537%0.366CS..EExtended strand (participates in β ladder)trans-133.1165.3170.268.50000111.3P290 L323 M324 H326P290-S310 WeakPolarHBondContact O-CB 3.46Å; S310-L323 CarbonylContact O-C 3.53Å; S310-L323 WeakPolarHBondContact O-CA 3.36Å; S310-M324 PolarHBondContact N-O 2.9Å; S310-M324 VanDerWaalsContact N-O 3.12Å; S310-M324 WeakPolarHBondContact O-CG 3.42Å; S310-M324 PolarHBondContact O-N 3.43Å; S310-M324 WeakPolarHBondContact OG-CG 3.47Å; S310-M324 PolarHBondContact OG-SD 2.82Å; S310-H326 WeakPolarHBondContact CB-NE2 3.49Å; S310-H326 PolarHBondContact OG-CE1 2.79Å; S310-H326 PolarHBondContact OG-NE2 3.41Å
311P91.1Very high77.4Confident62 Ų6266.3 Ų66.340%0.40337%0.374SS..EExtended strand (participates in β ladder)trans-56.1144.6165.3-23.935.4000111.6H264H264-P311 HydrophobicContact CB-CG 4.41Å; H264-P311 WeakPolarHBondContact ND1-CG 3.12Å
312C83.1Confident76.6Confident55 Ų5565.5 Ų65.537%0.37237%0.369SS..  trans-74131.4172.6-1690000110.9N322C312-N322 PolarHBondContact N-O 3.38Å; C312-N322 VanDerWaalsContact N-O 3.15Å
313P69.3Low76.2Confident99 Ų9963.6 Ų63.664%0.64337%0.365SS*.SBendtrans-71.2-25.2-178.6-20.532.6000115.9
314E63Low76Confident160 Ų16064.7 Ų64.775%0.74837%0.37SS*.SBendtrans-103.31.1-160-71.1-175.9178.800116.1
315Q53.7Low75.8Confident142 Ų14265.1 Ų65.166%0.66437%0.372SS*.  trans-130.8106.5178.5-70.4-178.8-1.600110.7M317Q315-M317 PolarHBondContact O-N 2.78Å
316G49.1Very low75.7Confident83 Ų8365.4 Ų65.486%0.85637%0.374SS*.  trans-68.292.9170.900000110.7
317M43.1Very low75.6Confident159 Ų15965.3 Ų65.378%0.78337%0.373SS*.  trans-172.6123.2139-102-169.1-120.100107.4Q315 D319Q315-M317 PolarHBondContact O-N 2.78Å; M317-D319 PolarHBondContact O-N 3.31Å
318G46.3Very low75.6Confident72 Ų7265.6 Ų65.674%0.74238%0.375SS*.  trans-76.579.3-172.100000112.8
319D48.3Very low75.6Confident109 Ų10965.6 Ų65.658%0.58338%0.375SS*.  trans-102136.9162.8-76.6-20.5000109.8M317 F321 N322M317-D319 PolarHBondContact O-N 3.31Å; D319-F321 HydrophobicContact CB-CD2 4.43Å; D319-F321 PolarHBondContact O-N 2.8Å; D319-N322 PolarHBondContact O-N 3.38Å; D319-N322 VanDerWaalsContact O-N 3.07Å
320E51.1Low75.7Confident97 Ų9766.3 Ų66.345%0.45338%0.378SS..THydrogen-bonded Turntrans-53.7-12.5176.9-84-161.6129.400113.9Y257Y257-E320 PolarHBondContact OH-OE1 3.02Å
321F56Low75.9Confident181 Ų18166.2 Ų66.279%0.79438%0.377SS*.THydrogen-bonded Turntrans-87.3-14.4-178.1-60.7-74.2000114.4D319 L323D319-F321 HydrophobicContact CB-CD2 4.43Å; D319-F321 PolarHBondContact O-N 2.8Å; F321-L323 VanDerWaalsContact C-N 3.32Å; F321-L323 PolarHBondContact O-N 2.9Å; F321-L323 VanDerWaalsContact O-N 3.14Å
322N77.1Confident76.2Confident67 Ų6763.3 Ų63.336%0.35836%0.358SS..  trans-93.558.8-176.8-69.4-23.5000112.4C312 D319C312-N322 PolarHBondContact N-O 3.38Å; C312-N322 VanDerWaalsContact N-O 3.15Å; D319-N322 PolarHBondContact O-N 3.38Å; D319-N322 VanDerWaalsContact O-N 3.07Å
323L90.4Very high76.9Confident37 Ų3760.8 Ų60.819%0.19434%0.341CS..EExtended strand (participates in β ladder)trans-99.3141.1177.9-61.2176.8000111.4S310 F321S310-L323 CarbonylContact O-C 3.53Å; S310-L323 WeakPolarHBondContact O-CA 3.36Å; F321-L323 VanDerWaalsContact C-N 3.32Å; F321-L323 PolarHBondContact O-N 2.9Å; F321-L323 VanDerWaalsContact O-N 3.14Å
324M92.6Very high78.2Confident25 Ų2557.3 Ų57.312%0.12332%0.316CS..EExtended strand (participates in β ladder)trans-96.9134.3169.865.1-177.6-62.800110.2T309 S310 I377 F378T309-M324 WeakPolarHBondContact CA-O 3.45Å; T309-M324 WeakPolarHBondContact CB-O 3.34Å; S310-M324 PolarHBondContact N-O 2.9Å; S310-M324 VanDerWaalsContact N-O 3.12Å; S310-M324 WeakPolarHBondContact O-CG 3.42Å; S310-M324 PolarHBondContact O-N 3.43Å; S310-M324 WeakPolarHBondContact OG-CG 3.47Å; S310-M324 PolarHBondContact OG-SD 2.82Å; M324-I377 HydrophobicContact CE-CB 4.23Å; M324-I377 HydrophobicContact CE-CD1 3.58Å; M324-I377 HydrophobicContact CE-CG1 4.46Å; M324-I377 HydrophobicContact CE-CG2 3.57Å; M324-F378 HydrophobicContact CE-CE2 4.03Å; M324-F378 HydrophobicContact CE-CZ 4.18Å
325D94.8Very high79.6Confident10 Ų1053.6 Ų53.65%0.05331%0.308CS..EExtended strand (participates in β ladder)trans-91.7125.9178-70.614.6000111R13 V15 C33 S34 T309 I377R13-D325 HydrophobicContact CG-CB 3.74Å; V15-D325 HydrophobicContact CG2-CB 4.03Å; V15-D325 VanDerWaalsContact CG2-CG 3.49Å; C33-D325 VanDerWaalsContact CA-OD2 3.26Å; C33-D325 WeakPolarHBondContact CA-OD2 3.31Å; S34-D325 WeakPolarHBondContact CB-OD2 3.21Å; S34-D325 PolarHBondContact N-OD2 3.07Å; S34-D325 PolarHBondContact OG-OD1 3.15Å; S34-D325 PolarHBondContact OG-OD2 3Å; S34-D325 VanDerWaalsContact OG-OD2 3.09Å; T309-D325 WeakPolarHBondContact CG2-OD1 3.39Å; D325-I377 WeakPolarHBondContact O-CD1 3.41Å
326H96.2Very high81.5Confident7 Ų747.4 Ų47.43%0.03228%0.279CS..PPolyproline II helixtrans-86.4138-172.8-70.6-74.2000113.7R13 G307 G308 S310 D328R13-H326 WeakPolarHBondContact CA-O 3.41Å; G307-H326 WeakPolarHBondContact CA-O 3.26Å; G308-H326 PolarHBondContact O-CD2 2.82Å; G308-H326 PolarHBondContact O-N 3.12Å; S310-H326 WeakPolarHBondContact CB-NE2 3.49Å; S310-H326 PolarHBondContact OG-CE1 2.79Å; S310-H326 PolarHBondContact OG-NE2 3.41Å; H326-D328 WeakPolarHBondContact CB-OD1 3.36Å; H326-D328 IonicContact CG-OD1 3.64Å; H326-D328 IonicContact ND1-OD2 3.65Å; H326-D328 PolarHBondContact ND1-OD2 3.46Å
327S96.2Very high83.7Confident1 Ų147.7 Ų47.71%0.00726%0.262CS..  trans-113.37.6167.755.30000112.6G10 G11G10-S327 PolarHBondContact N-O 3.22Å; G11-S327 WeakPolarHBondContact CA-O 3.48Å; G11-S327 PolarHBondContact N-O 3.42Å; G11-S327 WeakPolarHBondContact O-CB 3.42Å
328D97.1Very high86.2Confident6 Ų646.6 Ų46.63%0.03226%0.258CS..  trans-79.5161.9-179.162.112.9000111.8L8 R291 F306 G307 H326 Y330L8-D328 CarbonylContact O-C 3.59Å; L8-D328 VanDerWaalsContact O-CA 3.25Å; L8-D328 WeakPolarHBondContact O-CA 3.45Å; R291-D328 IonicContact CZ-OD1 3.68Å; R291-D328 IonicContact CZ-OD2 3.46Å; R291-D328 IonicContact NH1-OD1 3.5Å; R291-D328 PolarHBondContact NH1-OD1 2.9Å; R291-D328 IonicContact NH1-OD2 3.79Å; R291-D328 PolarHBondContact NH1-OD2 3.26Å; R291-D328 IonicContact NH2-OD1 3.08Å; R291-D328 IonicContact NH2-OD2 3.68Å; R291-D328 PolarHBondContact NH2-OD2 3.33Å; F306-D328 WeakPolarHBondContact CA-O 3.24Å; F306-D328 VanDerWaalsContact CB-O 3.26Å; F306-D328 WeakPolarHBondContact CB-O 3.5Å; G307-D328 PolarHBondContact N-O 3.35Å; H326-D328 WeakPolarHBondContact CB-OD1 3.36Å; H326-D328 IonicContact CG-OD1 3.64Å; H326-D328 IonicContact ND1-OD2 3.65Å; H326-D328 PolarHBondContact ND1-OD2 3.46Å; D328-Y330 HydrophobicContact CB-CE2 4.12Å; D328-Y330 VanDerWaalsContact OD2-CE2 3.25Å; D328-Y330 WeakPolarHBondContact OD2-CE2 3.43Å
329L97.8Very high88.5Confident1 Ų147.1 Ų47.11%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-136.8133.1174.2176.8149.3000109.2H7 L8 F49 W56 V304 L305 F306 I331H7-L329 CarbonylContact C-O 3.55Å; H7-L329 WeakPolarHBondContact CA-O 3.21Å; L8-L329 PolarHBondContact N-O 3.01Å; L8-L329 PolarHBondContact O-N 2.91Å; F49-L329 HydrophobicContact CD1-CD1 4.14Å; F49-L329 HydrophobicContact CD2-CD1 3.69Å; F49-L329 HydrophobicContact CE1-CD1 3.96Å; F49-L329 HydrophobicContact CE2-CD1 3.5Å; F49-L329 HydrophobicContact CE2-CD2 4.27Å; F49-L329 HydrophobicContact CG-CD1 4Å; F49-L329 HydrophobicContact CZ-CD1 3.64Å; F49-L329 HydrophobicContact CZ-CD2 3.91Å; F49-L329 HydrophobicContact CZ-CG 4.48Å; W56-L329 HydrophobicContact CZ2-CD1 3.67Å; V304-L329 HydrophobicContact CG1-CD1 3.54Å; V304-L329 HydrophobicContact CG1-CD2 4.37Å; V304-L329 HydrophobicContact CG1-CG 3.94Å; L305-L329 CarbonylContact O-C 3.54Å; L305-L329 WeakPolarHBondContact O-CA 3.43Å; F306-L329 HydrophobicContact CB-CB 4.12Å; F306-L329 HydrophobicContact CB-CD1 4.42Å; F306-L329 HydrophobicContact CB-CG 4.34Å; L329-I331 HydrophobicContact CD2-CD1 4.19Å; L329-I331 HydrophobicContact CD2-CG1 3.74Å
330Y98.5Very high90.8Very high15 Ų1542.2 Ų42.26%0.05921%0.214CC..EExtended strand (participates in β ladder)trans-118.5142.6174-66.8-98.5000110.8W4 V6 H7 P288 L305 D328W4-Y330 HydrophobicContact CE3-CD1 4.37Å; W4-Y330 HydrophobicContact CE3-CG 4.39Å; W4-Y330 VanDerWaalsContact CZ3-CB 3.46Å; W4-Y330 HydrophobicContact CZ3-CG 4.4Å; V6-Y330 WeakPolarHBondContact O-CA 3.5Å; H7-Y330 HydrophobicContact CB-CD1 4.15Å; H7-Y330 HydrophobicContact CB-CE1 4.04Å; H7-Y330 AromaticContact CD2-CD1 3.84Å; H7-Y330 AromaticContact CD2-CE1 3.35Å; H7-Y330 WeakPolarHBondContact CD2-CE1 3.23Å; H7-Y330 AromaticContact CD2-CE2 3.55Å; H7-Y330 AromaticContact CD2-CZ 3.16Å; H7-Y330 PolarHBondContact CD2-OH 2.97Å; H7-Y330 AromaticContact CG-CE1 3.72Å; H7-Y330 AromaticContact CG-CZ 3.93Å; H7-Y330 AromaticContact NE2-CE2 3.81Å; H7-Y330 AromaticContact NE2-CZ 3.41Å; H7-Y330 PolarHBondContact NE2-OH 2.84Å; P288-Y330 HydrophobicContact CB-CD2 3.76Å; P288-Y330 HydrophobicContact CB-CE1 4.37Å; P288-Y330 HydrophobicContact CB-CE2 3.61Å; P288-Y330 HydrophobicContact CB-CG 4.22Å; P288-Y330 HydrophobicContact CG-CD1 4.43Å; P288-Y330 HydrophobicContact CG-CD2 4.06Å; P288-Y330 HydrophobicContact CG-CE2 4.37Å; P288-Y330 HydrophobicContact CG-CG 4.1Å; L305-Y330 HydrophobicContact CD2-CD2 4.22Å; L305-Y330 PolarHBondContact N-O 2.82Å; L305-Y330 PolarHBondContact O-N 3.29Å; D328-Y330 HydrophobicContact CB-CE2 4.12Å; D328-Y330 VanDerWaalsContact OD2-CE2 3.25Å; D328-Y330 WeakPolarHBondContact OD2-CE2 3.43Å
331I98.4Very high92.9Very high3 Ų340.7 Ų40.72%0.01521%0.208CC..EExtended strand (participates in β ladder)trans-115.2114.9170.2-57.3-177000110.3S5 V6 F49 L54 R302 I303 V304 L329S5-I331 PolarHBondContact N-O 2.94Å; S5-I331 PolarHBondContact OG-O 3.34Å; V6-I331 HydrophobicContact CB-CB 3.92Å; V6-I331 HydrophobicContact CB-CD1 4.07Å; V6-I331 HydrophobicContact CB-CG1 4.01Å; V6-I331 HydrophobicContact CG1-CD1 4.37Å; V6-I331 HydrophobicContact CG2-CB 4.35Å; V6-I331 HydrophobicContact CG2-CD1 4.2Å; V6-I331 PolarHBondContact O-N 3.33Å; F49-I331 HydrophobicContact CE1-CD1 4.5Å; F49-I331 HydrophobicContact CZ-CD1 4.35Å; L54-I331 HydrophobicContact CD2-CD1 3.44Å; L54-I331 VanDerWaalsContact CD2-CD1 3.44Å; R302-I331 HydrophobicContact CB-CG2 3.89Å; R302-I331 HydrophobicContact CG-CG2 4.22Å; I303-I331 CarbonylContact O-C 3.59Å; I303-I331 VanDerWaalsContact O-CA 3.28Å; I303-I331 WeakPolarHBondContact O-CA 3.16Å; V304-I331 HydrophobicContact CG2-CG1 4.5Å; L329-I331 HydrophobicContact CD2-CD1 4.19Å; L329-I331 HydrophobicContact CD2-CG1 3.74Å
332L98.3Very high94.9Very high1 Ų135.1 Ų35.11%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-90.4117.1169.3-177.969.7000108.9L2 W4 L268 P283 R302 I303 F334L2-L332 HydrophobicContact CD1-CD1 3.71Å; L2-L332 HydrophobicContact CD1-CD2 3.92Å; L2-L332 HydrophobicContact CD1-CG 3.6Å; L2-L332 HydrophobicContact CG-CD1 3.95Å; L2-L332 HydrophobicContact CG-CG 4.36Å; W4-L332 HydrophobicContact CD2-CB 4.15Å; W4-L332 HydrophobicContact CD2-CD1 3.83Å; W4-L332 HydrophobicContact CE3-CB 3.65Å; W4-L332 HydrophobicContact CE3-CD1 4.22Å; W4-L332 HydrophobicContact CG-CD1 4.15Å; W4-L332 HydrophobicContact CH2-CB 3.91Å; W4-L332 HydrophobicContact CH2-CD2 4.49Å; W4-L332 HydrophobicContact CZ2-CB 4.36Å; W4-L332 HydrophobicContact CZ2-CD1 4.25Å; W4-L332 HydrophobicContact CZ2-CD2 4.44Å; W4-L332 HydrophobicContact CZ3-CB 3.54Å; L268-L332 HydrophobicContact CD2-CD2 3.74Å; P283-L332 HydrophobicContact CB-CD1 3.65Å; P283-L332 HydrophobicContact CG-CD1 3.86Å; R302-L332 VanDerWaalsContact CA-O 3.31Å; R302-L332 WeakPolarHBondContact CA-O 3.47Å; I303-L332 HydrophobicContact CB-CB 4.19Å; I303-L332 PolarHBondContact N-O 3.03Å; I303-L332 PolarHBondContact O-N 3.47Å; L332-F334 HydrophobicContact CD2-CE2 3.9Å; L332-F334 HydrophobicContact CD2-CZ 4.1Å; L332-F334 HydrophobicContact CG-CE2 4.26Å
333D97.2Very high95.8Very high2 Ų233 Ų331%0.01118%0.179CC..EExtended strand (participates in β ladder)trans-101.1117.1-179.5-168.3-26.6000109.9L2 R3 R302 S335 P336L2-D333 WeakPolarHBondContact CA-O 3.28Å; L2-D333 WeakPolarHBondContact CD1-O 3.43Å; R3-D333 PolarHBondContact N-O 2.6Å; R3-D333 PolarHBondContact O-N 3.29Å; R302-D333 HydrophobicContact CG-CB 4.4Å; R302-D333 IonicContact CZ-OD2 2.88Å; R302-D333 IonicContact NE-OD2 3.97Å; R302-D333 PolarHBondContact NE-OD2 2.94Å; R302-D333 IonicContact NH2-OD2 3.91Å; R302-D333 PolarHBondContact NH2-OD2 2.66Å; D333-S335 PolarHBondContact OD1-N 3.06Å; D333-P336 HydrophobicContact CB-CB 4.34Å; D333-P336 VanDerWaalsContact OD1-N 3.13Å
334F96.3Very high96.1Very high25 Ų2532 Ų3211%0.1117%0.174CC..SBendtrans-74.9-26.5-179.2-79.2-101.3000113.3L2 F245 Y247 Y252 D301 I303 L332L2-F334 HydrophobicContact CD1-CB 4.09Å; L2-F334 HydrophobicContact CD1-CD1 3.58Å; L2-F334 HydrophobicContact CD1-CD2 3.8Å; L2-F334 HydrophobicContact CD1-CE1 3.84Å; L2-F334 HydrophobicContact CD1-CE2 4.03Å; L2-F334 HydrophobicContact CD1-CG 3.55Å; L2-F334 HydrophobicContact CD1-CZ 4.06Å; L2-F334 HydrophobicContact CD2-CE1 4.47Å; F245-F334 HydrophobicContact CE2-CE2 4.17Å; F245-F334 AromaticContact CE2-CZ 3.78Å; F245-F334 HydrophobicContact CE2-CZ 3.78Å; F245-F334 HydrophobicContact CZ-CE2 4.44Å; F245-F334 HydrophobicContact CZ-CZ 4.06Å; Y247-F334 AromaticContact CD1-CD1 3.42Å; Y247-F334 HydrophobicContact CD1-CD1 3.42Å; Y247-F334 VanDerWaalsContact CD1-CD1 3.42Å; Y247-F334 AromaticContact CD1-CE1 3.6Å; Y247-F334 HydrophobicContact CD1-CE1 3.6Å; Y247-F334 AromaticContact CD1-CG 3.98Å; Y247-F334 HydrophobicContact CD1-CG 3.98Å; Y247-F334 HydrophobicContact CD1-CZ 4.29Å; Y247-F334 HydrophobicContact CE1-CB 3.76Å; Y247-F334 AromaticContact CE1-CD1 3.25Å; Y247-F334 HydrophobicContact CE1-CD1 3.25Å; Y247-F334 HydrophobicContact CE1-CD2 4.48Å; Y247-F334 AromaticContact CE1-CE1 3.96Å; Y247-F334 HydrophobicContact CE1-CE1 3.96Å; Y247-F334 AromaticContact CE1-CG 3.58Å; Y247-F334 HydrophobicContact CE1-CG 3.58Å; Y247-F334 HydrophobicContact CE2-CB 4.44Å; Y247-F334 HydrophobicContact CE2-CG 4.4Å; Y247-F334 HydrophobicContact CG-CD1 4.26Å; Y247-F334 HydrophobicContact CG-CE1 4.25Å; Y247-F334 AromaticContact CZ-CD1 3.99Å; Y247-F334 AromaticContact CZ-CG 3.8Å; Y247-F334 WeakPolarHBondContact OH-CB 3.35Å; Y252-F334 HydrophobicContact CD1-CE1 4.39Å; Y252-F334 HydrophobicContact CD1-CZ 4.28Å; Y252-F334 AromaticContact CE1-CE1 3.68Å; Y252-F334 HydrophobicContact CE1-CE1 3.68Å; Y252-F334 HydrophobicContact CE1-CZ 4.01Å; Y252-F334 HydrophobicContact CE2-CE1 4.3Å; Y252-F334 AromaticContact CZ-CE1 3.64Å; D301-F334 WeakPolarHBondContact O-CB 3.39Å; D301-F334 PolarHBondContact O-N 2.9Å; D301-F334 VanDerWaalsContact O-N 3.1Å; I303-F334 HydrophobicContact CG1-CE2 3.82Å; L332-F334 HydrophobicContact CD2-CE2 3.9Å; L332-F334 HydrophobicContact CD2-CZ 4.1Å; L332-F334 HydrophobicContact CG-CE2 4.26Å
335S93.3Very high96.2Very high83 Ų8332.4 Ų32.458%0.5818%0.181SC*.SBendtrans-142.364.8-176.6-162.20000111.2D333 N337D333-S335 PolarHBondContact OD1-N 3.06Å; S335-N337 PolarHBondContact O-N 3.41Å; S335-N337 VanDerWaalsContact O-N 3.13Å
336P94.2Very high96.4Very high11 Ų1132.9 Ų32.97%0.07118%0.184CC..  trans-66.2119.1-179.227.8-35.6000109.7M1 R3 D333 T340 L341M1-P336 WeakPolarHBondContact O-CG 3.33Å; R3-P336 HydrophobicContact CG-CG 4.15Å; D333-P336 HydrophobicContact CB-CB 4.34Å; D333-P336 VanDerWaalsContact OD1-N 3.13Å; P336-T340 HydrophobicContact CB-CG2 3.97Å; P336-L341 HydrophobicContact CB-CD2 4.03Å; P336-L341 HydrophobicContact CB-CG 4.3Å; P336-L341 HydrophobicContact CG-CD2 4.09Å
337N94.1Very high96.3Very high90 Ų9035.2 Ų35.248%0.48120%0.196SC..  trans-73.5171.9174.768.232.5000111.9S335 K339 T340 L341S335-N337 PolarHBondContact O-N 3.41Å; S335-N337 VanDerWaalsContact O-N 3.13Å; N337-K339 VanDerWaalsContact C-N 3.3Å; N337-K339 PolarHBondContact O-N 2.82Å; N337-K339 WeakPolarHBondContact OD1-CB 3.28Å; N337-K339 PolarHBondContact OD1-N 3.11Å; N337-K339 VanDerWaalsContact OD1-N 3.13Å; N337-T340 PolarHBondContact O-N 2.82Å; N337-T340 VanDerWaalsContact O-N 3.13Å; N337-T340 PolarHBondContact OD1-N 3.15Å; N337-T340 PolarHBondContact OD1-OG1 3.14Å; N337-L341 WeakPolarHBondContact O-CG 3.33Å; N337-L341 PolarHBondContact O-N 2.97Å
338L95.9Very high96.3Very high135 Ų13540.8 Ų40.871%0.70722%0.222SC*.Hα-helixtrans-56.3-42.5-179.2-176.861.1000112.4T340 L341 C342L338-T340 VanDerWaalsContact C-N 3.34Å; L338-T340 PolarHBondContact O-N 2.85Å; L338-L341 PolarHBondContact O-N 2.7Å; L338-L341 VanDerWaalsContact O-N 3.15Å; L338-C342 WeakPolarHBondContact O-CB 3.27Å; L338-C342 PolarHBondContact O-N 3.17Å; L338-C342 PolarHBondContact O-SG 3.21Å
339K95.6Very high96.2Very high84 Ų8448 Ų4837%0.36525%0.25SC..Hα-helixtrans-57.7-45.9177.3177.5172.1166.2172.50111.2N337 C342 K343 I360 E363N337-K339 VanDerWaalsContact C-N 3.3Å; N337-K339 PolarHBondContact O-N 2.82Å; N337-K339 WeakPolarHBondContact OD1-CB 3.28Å; N337-K339 PolarHBondContact OD1-N 3.11Å; N337-K339 VanDerWaalsContact OD1-N 3.13Å; K339-C342 PolarHBondContact O-N 2.86Å; K339-K343 WeakPolarHBondContact O-CG 3.12Å; K339-K343 PolarHBondContact O-N 2.92Å; K339-I360 HydrophobicContact CD-CD1 4.11Å; K339-E363 VanDerWaalsContact CE-CD 3.46Å; K339-E363 VanDerWaalsContact CE-OE1 3.23Å; K339-E363 WeakPolarHBondContact CE-OE1 3.35Å; K339-E363 WeakPolarHBondContact CE-OE2 3.49Å; K339-E363 IonicContact NZ-OE1 2.71Å; K339-E363 PolarHBondContact NZ-OE1 2.71Å; K339-E363 IonicContact NZ-OE2 3.44Å; K339-E363 PolarHBondContact NZ-OE2 3.47Å
340T95.1Very high96.1Very high6 Ų653 Ų534%0.03729%0.285CS..Hα-helixtrans-62.5-44.1175.2-63.10000111.8R302 P336 N337 L338 K343 I344R302-T340 PolarHBondContact NH2-OG1 3.12Å; P336-T340 HydrophobicContact CB-CG2 3.97Å; N337-T340 PolarHBondContact O-N 2.82Å; N337-T340 VanDerWaalsContact O-N 3.13Å; N337-T340 PolarHBondContact OD1-N 3.15Å; N337-T340 PolarHBondContact OD1-OG1 3.14Å; L338-T340 VanDerWaalsContact C-N 3.34Å; L338-T340 PolarHBondContact O-N 2.85Å; T340-K343 PolarHBondContact O-N 2.95Å; T340-I344 HydrophobicContact CG2-CD1 3.96Å; T340-I344 VanDerWaalsContact O-CG1 3.29Å; T340-I344 WeakPolarHBondContact O-CG1 3.37Å; T340-I344 PolarHBondContact O-N 3.14Å
341L96.3Very high96.1Very high64 Ų6456.3 Ų56.334%0.33530%0.304SS..Hα-helixtrans-64.7-41.2179.2-65.3175000112.3P336 N337 L338 I344 A345P336-L341 HydrophobicContact CB-CD2 4.03Å; P336-L341 HydrophobicContact CB-CG 4.3Å; P336-L341 HydrophobicContact CG-CD2 4.09Å; N337-L341 WeakPolarHBondContact O-CG 3.33Å; N337-L341 PolarHBondContact O-N 2.97Å; L338-L341 PolarHBondContact O-N 2.7Å; L338-L341 VanDerWaalsContact O-N 3.15Å; L341-I344 PolarHBondContact O-N 3.47Å; L341-A345 PolarHBondContact O-N 2.78Å
342C96.8Very high95.9Very high64 Ų6464 Ų6443%0.43234%0.339SS..Hα-helixtrans-62.4-44.7174.6-69.50000111.5L338 K339 I344 A345 V346L338-C342 WeakPolarHBondContact O-CB 3.27Å; L338-C342 PolarHBondContact O-N 3.17Å; L338-C342 PolarHBondContact O-SG 3.21Å; K339-C342 PolarHBondContact O-N 2.86Å; C342-I344 VanDerWaalsContact C-N 3.33Å; C342-I344 PolarHBondContact O-N 3.34Å; C342-A345 WeakPolarHBondContact O-CB 3.13Å; C342-A345 PolarHBondContact O-N 3.15Å; C342-A345 VanDerWaalsContact O-N 3.15Å; C342-V346 WeakPolarHBondContact O-CG2 3.33Å; C342-V346 PolarHBondContact O-N 3.44Å
343K96.7Very high95.8Very high22 Ų2267.5 Ų67.510%0.09636%0.356CS..Hα-helixtrans-59.5-43.3175.5-73.6-172.4-59.2177.10112.3K339 T340 A345 V346 I347 E363 L364 M367K339-K343 WeakPolarHBondContact O-CG 3.12Å; K339-K343 PolarHBondContact O-N 2.92Å; T340-K343 PolarHBondContact O-N 2.95Å; K343-A345 VanDerWaalsContact C-N 3.3Å; K343-A345 PolarHBondContact O-N 2.98Å; K343-V346 PolarHBondContact O-N 2.93Å; K343-I347 WeakPolarHBondContact O-CG1 3.3Å; K343-I347 PolarHBondContact O-N 3.15Å; K343-E363 HydrophobicContact CD-CB 3.9Å; K343-E363 WeakPolarHBondContact CD-OE2 3.42Å; K343-E363 WeakPolarHBondContact CE-OE2 3.24Å; K343-E363 IonicContact NZ-OE2 2.79Å; K343-E363 PolarHBondContact NZ-OE2 2.87Å; K343-L364 HydrophobicContact CB-CD2 3.76Å; K343-L364 HydrophobicContact CD-CD2 4.43Å; K343-L364 HydrophobicContact CG-CD2 3.88Å; K343-L364 HydrophobicContact CG-CG 4.28Å; K343-M367 HydrophobicContact CB-SD 4.13Å; K343-M367 HydrophobicContact CD-SD 4.05Å
344I96Very high95.6Very high17 Ų1771.4 Ų71.49%0.08738%0.383CS..Hα-helixtrans-62-41176.4-65.6164.9000110.7R3 T340 L341 C342 I347 Q348 M367R3-I344 HydrophobicContact CG-CD1 4.47Å; T340-I344 HydrophobicContact CG2-CD1 3.96Å; T340-I344 VanDerWaalsContact O-CG1 3.29Å; T340-I344 WeakPolarHBondContact O-CG1 3.37Å; T340-I344 PolarHBondContact O-N 3.14Å; L341-I344 PolarHBondContact O-N 3.47Å; C342-I344 VanDerWaalsContact C-N 3.33Å; C342-I344 PolarHBondContact O-N 3.34Å; I344-I347 PolarHBondContact O-N 3.43Å; I344-Q348 WeakPolarHBondContact O-CB 3.37Å; I344-Q348 PolarHBondContact O-N 3.21Å; I344-M367 HydrophobicContact CG1-CE 4.06Å
345A96.4Very high95.6Very high33 Ų3373.8 Ų73.827%0.27341%0.414SS..Hα-helixtrans-63.7-44176.100000111.9L341 C342 K343 I347 Q348 Y349L341-A345 PolarHBondContact O-N 2.78Å; C342-A345 WeakPolarHBondContact O-CB 3.13Å; C342-A345 PolarHBondContact O-N 3.15Å; C342-A345 VanDerWaalsContact O-N 3.15Å; K343-A345 VanDerWaalsContact C-N 3.3Å; K343-A345 PolarHBondContact O-N 2.98Å; A345-I347 VanDerWaalsContact C-N 3.31Å; A345-I347 PolarHBondContact O-N 3.08Å; A345-Q348 PolarHBondContact O-N 3.23Å; A345-Y349 HydrophobicContact CB-CD2 4.31Å; A345-Y349 VanDerWaalsContact O-CD2 3.27Å; A345-Y349 WeakPolarHBondContact O-CD2 3.38Å; A345-Y349 PolarHBondContact O-N 2.8Å
346V97.3Very high95.7Very high21 Ų2172.2 Ų72.213%0.12740%0.399CS..Hα-helixtrans-56.7-45.5175.8169.80000111.3C342 K343 S350 L351 Q353 L364C342-V346 WeakPolarHBondContact O-CG2 3.33Å; C342-V346 PolarHBondContact O-N 3.44Å; K343-V346 PolarHBondContact O-N 2.93Å; V346-S350 WeakPolarHBondContact O-CA 3.29Å; V346-S350 PolarHBondContact O-N 2.87Å; V346-S350 VanDerWaalsContact O-N 3.14Å; V346-L351 HydrophobicContact CB-CB 4.5Å; V346-L351 HydrophobicContact CG1-CB 4.31Å; V346-L351 HydrophobicContact CG2-CB 4.43Å; V346-L351 HydrophobicContact CG2-CD1 4.17Å; V346-L351 PolarHBondContact O-N 3.29Å; V346-Q353 HydrophobicContact CG1-CG 3.86Å; V346-L364 HydrophobicContact CB-CD2 4.14Å; V346-L364 HydrophobicContact CG1-CD1 3.86Å; V346-L364 HydrophobicContact CG1-CD2 3.99Å
347I95.8Very high95.8Very high56 Ų5675.3 Ų75.329%0.28742%0.419SS..Hα-helixtrans-67.5-47.8177.7-64.2164.3000110.9K343 I344 A345 Y349 S350 L364 M367 T368K343-I347 WeakPolarHBondContact O-CG1 3.3Å; K343-I347 PolarHBondContact O-N 3.15Å; I344-I347 PolarHBondContact O-N 3.43Å; A345-I347 VanDerWaalsContact C-N 3.31Å; A345-I347 PolarHBondContact O-N 3.08Å; I347-Y349 VanDerWaalsContact C-N 3.34Å; I347-Y349 PolarHBondContact O-N 3.06Å; I347-S350 PolarHBondContact O-N 2.98Å; I347-L364 HydrophobicContact CD1-CD2 3.98Å; I347-L364 HydrophobicContact CG1-CD2 3.78Å; I347-M367 HydrophobicContact CD1-CB 3.87Å; I347-M367 HydrophobicContact CD1-CE 3.97Å; I347-M367 HydrophobicContact CD1-SD 4.3Å; I347-T368 HydrophobicContact CD1-CG2 3.77Å; I347-T368 HydrophobicContact CG1-CG2 3.86Å; I347-T368 HydrophobicContact CG2-CG2 3.91Å
348Q94.6Very high95.9Very high117 Ų11777.2 Ų77.255%0.54743%0.425SS..Hα-helixtrans-65.3-35.9-174.1-179.2178.7-20.200113I344 A345I344-Q348 WeakPolarHBondContact O-CB 3.37Å; I344-Q348 PolarHBondContact O-N 3.21Å; A345-Q348 PolarHBondContact O-N 3.23Å
349Y96.4Very high95.9Very high157 Ų15774.7 Ų74.762%0.61641%0.412SS*.THydrogen-bonded Turntrans-102.98.7-178.4-63-70.9000113.3A345 I347 L351A345-Y349 HydrophobicContact CB-CD2 4.31Å; A345-Y349 VanDerWaalsContact O-CD2 3.27Å; A345-Y349 WeakPolarHBondContact O-CD2 3.38Å; A345-Y349 PolarHBondContact O-N 2.8Å; I347-Y349 VanDerWaalsContact C-N 3.34Å; I347-Y349 PolarHBondContact O-N 3.06Å; Y349-L351 PolarHBondContact O-N 3.4Å
350S95.8Very high95.9Very high106 Ų10672.2 Ų72.274%0.74140%0.403SS*.THydrogen-bonded Turntrans49.543-178.5-58.40000113.2V346 I347V346-S350 WeakPolarHBondContact O-CA 3.29Å; V346-S350 PolarHBondContact O-N 2.87Å; V346-S350 VanDerWaalsContact O-N 3.14Å; I347-S350 PolarHBondContact O-N 2.98Å
351L97.2Very high96Very high86 Ų8677 Ų7745%0.4542%0.42SS..  trans-69.2153.1-176.4-56.5-178.3000111.4V346 Y349 Q353V346-L351 HydrophobicContact CB-CB 4.5Å; V346-L351 HydrophobicContact CG1-CB 4.31Å; V346-L351 HydrophobicContact CG2-CB 4.43Å; V346-L351 HydrophobicContact CG2-CD1 4.17Å; V346-L351 PolarHBondContact O-N 3.29Å; Y349-L351 PolarHBondContact O-N 3.4Å; L351-Q353 VanDerWaalsContact O-CG 3.25Å; L351-Q353 WeakPolarHBondContact O-CG 3.36Å; L351-Q353 PolarHBondContact O-N 3Å
352E95Very high96Very high163 Ų16379.8 Ų79.876%0.76243%0.426SS*.  trans-62.2133.5178.4-172.5174.5-179.500111.8S354E352-S354 PolarHBondContact OE1-OG 3.19Å
353Q95.6Very high96Very high75 Ų7578.9 Ų78.935%0.3542%0.416SS..  trans-115-8.3-172.1-52-177.225.100113.4V346 L351 G355 L356 R361 L364V346-Q353 HydrophobicContact CG1-CG 3.86Å; L351-Q353 VanDerWaalsContact O-CG 3.25Å; L351-Q353 WeakPolarHBondContact O-CG 3.36Å; L351-Q353 PolarHBondContact O-N 3Å; Q353-G355 VanDerWaalsContact C-N 3.33Å; Q353-G355 PolarHBondContact O-N 2.67Å; Q353-L356 HydrophobicContact CB-CD1 4.06Å; Q353-L356 HydrophobicContact CG-CD1 4.36Å; Q353-L356 WeakPolarHBondContact O-CB 3.18Å; Q353-L356 PolarHBondContact O-N 3.28Å; Q353-R361 VanDerWaalsContact O-CD 3.29Å; Q353-R361 WeakPolarHBondContact O-CD 3.06Å; Q353-L364 HydrophobicContact CG-CD1 4.37Å
354S93.9Very high96Very high85 Ų8577.9 Ų77.959%0.59441%0.411SS*.THydrogen-bonded Turntrans-57.9-41.5-17260.40000112.8E352 L356E352-S354 PolarHBondContact OE1-OG 3.19Å; S354-L356 VanDerWaalsContact C-N 3.3Å; S354-L356 PolarHBondContact O-N 2.92Å
355G94.8Very high96Very high74 Ų7479 Ų7976%0.76342%0.423SS*.THydrogen-bonded Turntrans-80.7-1178.500000115.1Q353Q353-G355 VanDerWaalsContact C-N 3.33Å; Q353-G355 PolarHBondContact O-N 2.67Å
356L95.7Very high96Very high51 Ų5177.6 Ų77.627%0.26741%0.412SS..SBendtrans-77.8144.4180-63.5177.4000111.5Q353 S354 I360 R361 L364Q353-L356 HydrophobicContact CB-CD1 4.06Å; Q353-L356 HydrophobicContact CG-CD1 4.36Å; Q353-L356 WeakPolarHBondContact O-CB 3.18Å; Q353-L356 PolarHBondContact O-N 3.28Å; S354-L356 VanDerWaalsContact C-N 3.3Å; S354-L356 PolarHBondContact O-N 2.92Å; L356-I360 HydrophobicContact CB-CB 4.49Å; L356-I360 HydrophobicContact CB-CG2 4.42Å; L356-I360 HydrophobicContact CD1-CG2 4.08Å; L356-R361 HydrophobicContact CB-CG 3.81Å; L356-R361 PolarHBondContact O-NE 3.07Å; L356-R361 VanDerWaalsContact O-NE 3.1Å; L356-L364 HydrophobicContact CD1-CD1 3.54Å
357P96.9Very high96Very high75 Ų7577.3 Ų77.349%0.48741%0.409SS..  trans-50.3148169.9-29.137.3000112.6D359 I360 R361P357-D359 VanDerWaalsContact C-N 3.32Å; P357-D359 WeakPolarHBondContact CB-OD1 3.36Å; P357-D359 PolarHBondContact O-N 2.97Å; P357-I360 HydrophobicContact CB-CG1 4.22Å; P357-I360 HydrophobicContact CG-CG1 4.46Å; P357-I360 PolarHBondContact O-N 3.26Å; P357-I360 VanDerWaalsContact O-N 3.14Å; P357-R361 PolarHBondContact O-N 2.81Å
358H96.4Very high95.9Very high131 Ų13178 Ų7861%0.60642%0.417SS*.Hα-helixtrans-57.7-41.6-174174.4-87.9000113.1R361 W362H358-R361 PolarHBondContact O-N 3.36Å; H358-W362 WeakPolarHBondContact O-CB 3.41Å; H358-W362 PolarHBondContact O-N 2.84Å
359D95.5Very high95.9Very high82 Ų8275.7 Ų75.744%0.43941%0.41SS..Hα-helixtrans-61.7-41.8177.364.5-42.2000112.1P357 W362 E363P357-D359 VanDerWaalsContact C-N 3.32Å; P357-D359 WeakPolarHBondContact CB-OD1 3.36Å; P357-D359 PolarHBondContact O-N 2.97Å; D359-W362 PolarHBondContact O-N 3.42Å; D359-E363 WeakPolarHBondContact O-CG 3.44Å; D359-E363 PolarHBondContact O-N 2.73Å
360I96.3Very high95.8Very high32 Ų3271.5 Ų71.516%0.16440%0.399CS..Hα-helixtrans-66.3-43.7176-56.6-58.8000111K339 L356 P357 W362 E363 L364K339-I360 HydrophobicContact CD-CD1 4.11Å; L356-I360 HydrophobicContact CB-CB 4.49Å; L356-I360 HydrophobicContact CB-CG2 4.42Å; L356-I360 HydrophobicContact CD1-CG2 4.08Å; P357-I360 HydrophobicContact CB-CG1 4.22Å; P357-I360 HydrophobicContact CG-CG1 4.46Å; P357-I360 PolarHBondContact O-N 3.26Å; P357-I360 VanDerWaalsContact O-N 3.14Å; I360-W362 VanDerWaalsContact C-N 3.29Å; I360-W362 PolarHBondContact O-N 2.85Å; I360-E363 PolarHBondContact O-N 2.7Å; I360-L364 HydrophobicContact CG2-CD1 4.09Å; I360-L364 HydrophobicContact CG2-CG 4.49Å; I360-L364 VanDerWaalsContact O-CG 3.31Å; I360-L364 WeakPolarHBondContact O-CG 3.19Å; I360-L364 PolarHBondContact O-N 3.33Å
361R96.4Very high95.6Very high107 Ų10766.9 Ų66.940%0.40437%0.366SS..Hα-helixtrans-60.3-40.5174.8-70.4-170.5-72.3131.8-4.2111.6Q353 L356 P357 H358 L364 A365Q353-R361 VanDerWaalsContact O-CD 3.29Å; Q353-R361 WeakPolarHBondContact O-CD 3.06Å; L356-R361 HydrophobicContact CB-CG 3.81Å; L356-R361 PolarHBondContact O-NE 3.07Å; L356-R361 VanDerWaalsContact O-NE 3.1Å; P357-R361 PolarHBondContact O-N 2.81Å; H358-R361 PolarHBondContact O-N 3.36Å; R361-L364 PolarHBondContact O-N 2.75Å; R361-A365 WeakPolarHBondContact O-CB 3.49Å; R361-A365 PolarHBondContact O-N 2.82Å
362W96.5Very high95.3Very high121 Ų12170.3 Ų70.346%0.45839%0.385SS..Hα-helixtrans-64-44.7176.1-175.893.4000111.8H358 D359 I360 L364 A365 A366H358-W362 WeakPolarHBondContact O-CB 3.41Å; H358-W362 PolarHBondContact O-N 2.84Å; D359-W362 PolarHBondContact O-N 3.42Å; I360-W362 VanDerWaalsContact C-N 3.29Å; I360-W362 PolarHBondContact O-N 2.85Å; W362-L364 VanDerWaalsContact C-N 3.34Å; W362-L364 PolarHBondContact O-N 2.99Å; W362-A365 PolarHBondContact O-N 2.99Å; W362-A366 HydrophobicContact CE3-CB 4.44Å; W362-A366 HydrophobicContact CZ3-CB 4.34Å; W362-A366 WeakPolarHBondContact O-CB 3Å; W362-A366 PolarHBondContact O-N 3.41Å
363E96.4Very high95Very high45 Ų4565.3 Ų65.321%0.2136%0.363CS..Hα-helixtrans-64.4-38.1177-73.3179.1-162.200112.5K339 K343 D359 I360 A366 M367K339-E363 VanDerWaalsContact CE-CD 3.46Å; K339-E363 VanDerWaalsContact CE-OE1 3.23Å; K339-E363 WeakPolarHBondContact CE-OE1 3.35Å; K339-E363 WeakPolarHBondContact CE-OE2 3.49Å; K339-E363 IonicContact NZ-OE1 2.71Å; K339-E363 PolarHBondContact NZ-OE1 2.71Å; K339-E363 IonicContact NZ-OE2 3.44Å; K339-E363 PolarHBondContact NZ-OE2 3.47Å; K343-E363 HydrophobicContact CD-CB 3.9Å; K343-E363 WeakPolarHBondContact CD-OE2 3.42Å; K343-E363 WeakPolarHBondContact CE-OE2 3.24Å; K343-E363 IonicContact NZ-OE2 2.79Å; K343-E363 PolarHBondContact NZ-OE2 2.87Å; D359-E363 WeakPolarHBondContact O-CG 3.44Å; D359-E363 PolarHBondContact O-N 2.73Å; I360-E363 PolarHBondContact O-N 2.7Å; E363-A366 WeakPolarHBondContact O-CB 3.07Å; E363-A366 PolarHBondContact O-N 3.28Å; E363-M367 VanDerWaalsContact O-CG 3.31Å; E363-M367 WeakPolarHBondContact O-CG 3.42Å; E363-M367 PolarHBondContact O-N 2.84Å; E363-M367 VanDerWaalsContact O-N 3.09Å
364L97.1Very high94.5Very high1 Ų163 Ų631%0.00536%0.355CS..Hα-helixtrans-62.2-47.8173.6-73.9167.2000110.7K343 V346 I347 Q353 L356 I360 R361 W362 A366 M367 T368K343-L364 HydrophobicContact CB-CD2 3.76Å; K343-L364 HydrophobicContact CD-CD2 4.43Å; K343-L364 HydrophobicContact CG-CD2 3.88Å; K343-L364 HydrophobicContact CG-CG 4.28Å; V346-L364 HydrophobicContact CB-CD2 4.14Å; V346-L364 HydrophobicContact CG1-CD1 3.86Å; V346-L364 HydrophobicContact CG1-CD2 3.99Å; I347-L364 HydrophobicContact CD1-CD2 3.98Å; I347-L364 HydrophobicContact CG1-CD2 3.78Å; Q353-L364 HydrophobicContact CG-CD1 4.37Å; L356-L364 HydrophobicContact CD1-CD1 3.54Å; I360-L364 HydrophobicContact CG2-CD1 4.09Å; I360-L364 HydrophobicContact CG2-CG 4.49Å; I360-L364 VanDerWaalsContact O-CG 3.31Å; I360-L364 WeakPolarHBondContact O-CG 3.19Å; I360-L364 PolarHBondContact O-N 3.33Å; R361-L364 PolarHBondContact O-N 2.75Å; W362-L364 VanDerWaalsContact C-N 3.34Å; W362-L364 PolarHBondContact O-N 2.99Å; L364-A366 VanDerWaalsContact C-N 3.29Å; L364-A366 PolarHBondContact O-N 2.49Å; L364-M367 PolarHBondContact O-N 2.8Å; L364-M367 VanDerWaalsContact O-N 3.17Å; L364-T368 PolarHBondContact O-N 2.68Å; L364-T368 PolarHBondContact O-OG1 3.3Å; L364-T368 VanDerWaalsContact O-OG1 3.09Å
365A96.2Very high93.4Very high41 Ų4169.3 Ų69.334%0.33937%0.366SS..Hα-helixtrans-61.9-36.6175.200000112.1R55 R361 W362 M367 T368 T369R55-A365 PolarHBondContact NH2-O 3.16Å; R361-A365 WeakPolarHBondContact O-CB 3.49Å; R361-A365 PolarHBondContact O-N 2.82Å; W362-A365 PolarHBondContact O-N 2.99Å; A365-M367 VanDerWaalsContact C-N 3.31Å; A365-M367 PolarHBondContact O-N 2.71Å; A365-T368 PolarHBondContact O-N 3.09Å; A365-T369 WeakPolarHBondContact O-CB 3.24Å; A365-T369 PolarHBondContact O-N 2.86Å; A365-T369 PolarHBondContact O-OG1 3.22Å
366A96.3Very high91.9Very high4 Ų468.1 Ų68.13%0.03334%0.344CS..Hα-helixtrans-59.3-43.3174.600000111.5L54 R55 W362 E363 L364 T368L54-A366 HydrophobicContact CB-CB 4.49Å; L54-A366 HydrophobicContact CD1-CB 4.15Å; L54-A366 HydrophobicContact CG-CB 4.47Å; R55-A366 PolarHBondContact NH1-O 3.24Å; W362-A366 HydrophobicContact CE3-CB 4.44Å; W362-A366 HydrophobicContact CZ3-CB 4.34Å; W362-A366 WeakPolarHBondContact O-CB 3Å; W362-A366 PolarHBondContact O-N 3.41Å; E363-A366 WeakPolarHBondContact O-CB 3.07Å; E363-A366 PolarHBondContact O-N 3.28Å; L364-A366 VanDerWaalsContact C-N 3.29Å; L364-A366 PolarHBondContact O-N 2.49Å; A366-T368 VanDerWaalsContact C-N 3.32Å; A366-T368 PolarHBondContact O-N 3.38Å
367M96.4Very high90.3Very high14 Ų1468.1 Ų68.17%0.06934%0.344CS..Hα-helixtrans-73.7-15.9-178.1-69.9175.16700114.6S5 V6 L8 L54 K343 I344 I347 E363 L364 A365S5-M367 VanDerWaalsContact O-CE 3.31Å; S5-M367 WeakPolarHBondContact O-CE 3.16Å; V6-M367 HydrophobicContact CG2-CB 4.47Å; V6-M367 HydrophobicContact CG2-CE 3.89Å; V6-M367 HydrophobicContact CG2-CG 3.96Å; L8-M367 WeakPolarHBondContact CD2-O 3.43Å; L54-M367 HydrophobicContact CD1-CB 4.36Å; L54-M367 HydrophobicContact CD1-CG 3.75Å; K343-M367 HydrophobicContact CB-SD 4.13Å; K343-M367 HydrophobicContact CD-SD 4.05Å; I344-M367 HydrophobicContact CG1-CE 4.06Å; I347-M367 HydrophobicContact CD1-CB 3.87Å; I347-M367 HydrophobicContact CD1-CE 3.97Å; I347-M367 HydrophobicContact CD1-SD 4.3Å; E363-M367 VanDerWaalsContact O-CG 3.31Å; E363-M367 WeakPolarHBondContact O-CG 3.42Å; E363-M367 PolarHBondContact O-N 2.84Å; E363-M367 VanDerWaalsContact O-N 3.09Å; L364-M367 PolarHBondContact O-N 2.8Å; L364-M367 VanDerWaalsContact O-N 3.17Å; A365-M367 VanDerWaalsContact C-N 3.31Å; A365-M367 PolarHBondContact O-N 2.71Å
368T95.3Very high88.4Confident72 Ų7270.5 Ų70.544%0.44235%0.347SS..Hα-helixtrans-119.7-16.9-173.857.40000114.6I347 L364 A365 A366I347-T368 HydrophobicContact CD1-CG2 3.77Å; I347-T368 HydrophobicContact CG1-CG2 3.86Å; I347-T368 HydrophobicContact CG2-CG2 3.91Å; L364-T368 PolarHBondContact O-N 2.68Å; L364-T368 PolarHBondContact O-OG1 3.3Å; L364-T368 VanDerWaalsContact O-OG1 3.09Å; A365-T368 PolarHBondContact O-N 3.09Å; A366-T368 VanDerWaalsContact C-N 3.32Å; A366-T368 PolarHBondContact O-N 3.38Å
369T94.8Very high85.8Confident68 Ų6867.6 Ų67.642%0.41734%0.341SS..PPolyproline II helixtrans-88.5117.5-178.8-55.70000110.5R55 A365R55-T369 PolarHBondContact NH1-O 2.97Å; R55-T369 VanDerWaalsContact NH1-O 3.14Å; R55-T369 VanDerWaalsContact NH2-CB 3.27Å; A365-T369 WeakPolarHBondContact O-CB 3.24Å; A365-T369 PolarHBondContact O-N 2.86Å; A365-T369 PolarHBondContact O-OG1 3.22Å
370N94.1Very high82.8Confident69 Ų6969.4 Ų69.437%0.36936%0.361SS..PPolyproline II helixtrans-66.2158.1178.6-67.5-30.5000112.7E9E9-N370 HydrophobicContact CB-CB 4.32Å; E9-N370 PolarHBondContact N-OD1 3.27Å; E9-N370 WeakPolarHBondContact O-CB 3.29Å
371S91.9Very high79.5Confident8 Ų876 Ų766%0.05639%0.39CS..PPolyproline II helixtrans-83.4163.1170.5-65.90000110.7E9 G10E9-S371 PolarHBondContact O-N 3.46Å; G10-S371 CarbonylContact C-O 3.58Å; G10-S371 VanDerWaalsContact CA-O 3.31Å; G10-S371 WeakPolarHBondContact CA-O 3.36Å; G10-S371 CarbonylContact O-C 3.43Å; G10-S371 VanDerWaalsContact O-C 3.26Å; G10-S371 VanDerWaalsContact O-CB 3.26Å; G10-S371 WeakPolarHBondContact O-CB 3.34Å
372N90.4Very high76.5Confident158 Ų15878.1 Ų78.185%0.84545%0.446SS*.  trans-120.629.9-179.6-68.2-28000112.2
373I88.6Confident75.4Confident58 Ų5876 Ų7630%0.29745%0.446SS..SBendtrans-75.1-40178.5-61.2-64.1000110.6G10 P12 W56G10-I373 WeakPolarHBondContact O-CB 3.36Å; G10-I373 PolarHBondContact O-N 2.84Å; P12-I373 HydrophobicContact CB-CG2 4.32Å; W56-I373 HydrophobicContact CB-CD1 4.36Å; W56-I373 HydrophobicContact CB-CG1 3.73Å
374S83.6Confident74.3Confident27 Ų2777.6 Ų77.619%0.18946%0.458CS..SBendtrans-133155.5176.1-610000109.2G10 G11 R13G10-S374 WeakPolarHBondContact CA-O 3.4Å; G10-S374 PolarHBondContact O-N 3.06Å; G11-S374 VanDerWaalsContact O-CB 3.29Å; G11-S374 WeakPolarHBondContact O-CB 3.46Å; G11-S374 PolarHBondContact O-OG 2.63Å; R13-S374 PolarHBondContact N-OG 2.9Å
375R72.4Confident73.1Confident218 Ų21881.9 Ų81.982%0.82348%0.483SS*.  trans-63.9132.8172.2-67.4-174.3-179.2-175.21109R13R13-R375 PolarHBondContact NH2-O 3.42Å
376P63Low71.7Confident48 Ų4884.3 Ų84.331%0.31249%0.492SS..  trans-55.7150170.4-24.534.2000111E9E9-P376 HydrophobicContact CB-CB 4.31Å; E9-P376 HydrophobicContact CB-CG 4.45Å
377I62.1Low70.2Confident51 Ų5189.3 Ų89.326%0.26252%0.52SS..SBendtrans-74.1-40.7-178.4-57.5165.3000110.6M324 D325M324-I377 HydrophobicContact CE-CB 4.23Å; M324-I377 HydrophobicContact CE-CD1 3.58Å; M324-I377 HydrophobicContact CE-CG1 4.46Å; M324-I377 HydrophobicContact CE-CG2 3.57Å; D325-I377 WeakPolarHBondContact O-CD1 3.41Å
378F56.9Low68.4Low125 Ų12594.3 Ų94.355%0.54855%0.55SS.*SBendtrans-99.199.7168.3-56.4-75.1000107.2M324 S380M324-F378 HydrophobicContact CE-CE2 4.03Å; M324-F378 HydrophobicContact CE-CZ 4.18Å; F378-S380 PolarHBondContact O-N 3.08Å
379S40.8Very low66.5Low70 Ų7095.9 Ų95.949%0.4956%0.558SS.*  trans-63119.4157.753.40000106.2H381S379-H381 PolarHBondContact O-N 2.87Å
380S33.3Very low64.3Low121 Ų12198.1 Ų98.185%0.84657%0.569SS**  trans-60.488.9157.851.20000107F378F378-S380 PolarHBondContact O-N 3.08Å
381H27.5Very low61.9Low169 Ų169100.5 Ų100.578%0.78259%0.586SS**  trans-90.9119161.4-78.9-15.3000106.3S379S379-H381 PolarHBondContact O-N 2.87Å
382G31.9Very low59.1Low153 Ų153108.9 Ų108.9100%1.57763%0.634SS**  trans110.40177.100000112.6

Retrieved 382 of 382 residues in 113.2 ms (Link to these results)

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