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Copine-3

Calcium-dependent phospholipid-binding protein that plays a role in ERBB2-mediated tumor cell migration in response to growth factor heregulin stimulation.

AlphaFold DB , UniProt , Accession A0A096MYJ5, Species PAPAN (Papio anubis, Olive baboon), Gene CPNE3, Length 537 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
1M37.8Very low69.4Low207 Ų20764.9 Ų64.9100%1.0237%0.367SS*.  0145.20-74.6-175.6-91.200108.1
2A34.8Very low71.5Confident98 Ų9863.4 Ų63.481%0.8136%0.358SS*.PPolyproline II helixtrans-67133.4172.400000109Q4A2-Q4 PolarHBondContact O-N 3.16Å; A2-Q4 VanDerWaalsContact O-N 3.12Å
3A51.9Low73.5Confident29 Ų2958.8 Ų58.824%0.2433%0.332CS..PPolyproline II helixtrans-49116.8171.700000109.4Y68 E70 Q505A3-Y68 HydrophobicContact CB-CD1 3.76Å; A3-Y68 HydrophobicContact CB-CE1 4.23Å; A3-Y68 WeakPolarHBondContact O-CE1 3.47Å; A3-E70 WeakPolarHBondContact CA-OE1 3.49Å; A3-E70 HydrophobicContact CB-CG 4.47Å; A3-E70 WeakPolarHBondContact CB-OE1 3.23Å; A3-Q505 HydrophobicContact CB-CG 4.45Å
4Q54.5Low75.2Confident162 Ų16257 Ų5776%0.75733%0.325SS*.PPolyproline II helixtrans-82.5122.9180-170.9174.28.700108A2 V6A2-Q4 PolarHBondContact O-N 3.16Å; A2-Q4 VanDerWaalsContact O-N 3.12Å; Q4-V6 PolarHBondContact O-N 2.87Å
5C56.9Low76.7Confident49 Ų4953.7 Ų53.733%0.33131%0.306SS..  trans-53.9115.7175.7177.40000109.3T7 Y68C5-T7 PolarHBondContact SG-O 3.11Å; C5-T7 VanDerWaalsContact SG-O 3.33Å; C5-Y68 HydrophobicContact CB-CE1 3.75Å
6V69.2Low78Confident52 Ų5252.1 Ų52.132%0.31530%0.302SS..  trans-72.1-44.6-176.5177.20000109.1Q4 Y67Q4-V6 PolarHBondContact O-N 2.87Å; V6-Y67 HydrophobicContact CB-CD1 3.95Å; V6-Y67 HydrophobicContact CB-CE1 4.38Å; V6-Y67 HydrophobicContact CG1-CD1 4.23Å; V6-Y67 HydrophobicContact CG1-CE1 4.37Å; V6-Y67 PolarHBondContact N-O 3.36Å
7T85Confident79Confident11 Ų1154.4 Ų54.47%0.06731%0.313CS..EExtended strand (participates in β ladder)trans-169.4177.7-179.2-164.50000111C5 Y67 E134 L281C5-T7 PolarHBondContact SG-O 3.11Å; C5-T7 VanDerWaalsContact SG-O 3.33Å; T7-Y67 HydrophobicContact CG2-CD1 4.03Å; T7-Y67 HydrophobicContact CG2-CG 4.47Å; T7-Y67 PolarHBondContact O-N 3.5Å; T7-E134 WeakPolarHBondContact CB-OE1 3.43Å; T7-E134 HydrophobicContact CG2-CG 3.77Å; T7-E134 WeakPolarHBondContact CG2-OE1 3.41Å; T7-E134 WeakPolarHBondContact OG1-CG 3.49Å; T7-E134 PolarHBondContact OG1-OE1 3.01Å; T7-L281 HydrophobicContact CG2-CD1 3.43Å; T7-L281 VanDerWaalsContact CG2-CD1 3.43Å; T7-L281 HydrophobicContact CG2-CG 4.23Å
8K89.5Confident79.9Confident96 Ų9651.8 Ų51.842%0.41730%0.298SS..EExtended strand (participates in β ladder)trans-105.3144.7170.7-72.6179-178.4-71.60110I64 I65 D66 I135K8-I64 HydrophobicContact CB-CG2 4.25Å; K8-I64 HydrophobicContact CD-CG2 4.09Å; K8-I64 HydrophobicContact CG-CG2 4.45Å; K8-I65 WeakPolarHBondContact CA-O 3.39Å; K8-D66 WeakPolarHBondContact CG-OD1 3.31Å; K8-D66 IonicContact NZ-OD1 3.41Å; K8-D66 PolarHBondContact NZ-OD1 2.67Å; K8-I135 HydrophobicContact CB-CB 4.13Å; K8-I135 HydrophobicContact CB-CD1 4.31Å; K8-I135 PolarHBondContact O-N 2.86Å
9V93Very high80.5Confident0 Ų051.5 Ų51.50%030%0.295CS..EExtended strand (participates in β ladder)trans-119.6128.9177.4179.70000109.6L11 I64 I65 Y67 L102 V106 A132 E133 L281 M285V9-L11 HydrophobicContact CG1-CD2 3.71Å; V9-L11 HydrophobicContact CG1-CG 4.45Å; V9-I64 WeakPolarHBondContact O-CA 3.31Å; V9-I65 PolarHBondContact N-O 2.7Å; V9-I65 PolarHBondContact O-N 3.45Å; V9-Y67 HydrophobicContact CG2-CG 4.36Å; V9-L102 HydrophobicContact CG1-CD1 4.35Å; V9-V106 HydrophobicContact CG1-CG1 4.17Å; V9-V106 HydrophobicContact CG2-CG1 4.17Å; V9-A132 HydrophobicContact CG1-CB 3.8Å; V9-E133 CarbonylContact C-O 3.53Å; V9-E133 WeakPolarHBondContact CA-O 3.19Å; V9-L281 HydrophobicContact CG2-CD1 3.66Å; V9-M285 HydrophobicContact CG1-CE 4.33Å
10A94.3Very high80.8Confident10 Ų1053.2 Ų53.28%0.08330%0.303CS..EExtended strand (participates in β ladder)trans-86.5124.5169.900000109.5T62 F63 A132 E133 I135A10-T62 HydrophobicContact CB-CG2 3.46Å; A10-T62 VanDerWaalsContact CB-CG2 3.46Å; A10-F63 CarbonylContact C-O 3.58Å; A10-F63 WeakPolarHBondContact CA-O 3.14Å; A10-A132 CarbonylContact O-C 3.53Å; A10-A132 WeakPolarHBondContact O-CA 3.47Å; A10-E133 HydrophobicContact CB-CB 4.43Å; A10-E133 PolarHBondContact N-O 2.94Å; A10-E133 PolarHBondContact O-N 3.35Å; A10-I135 HydrophobicContact CB-CD1 3.75Å; A10-I135 HydrophobicContact CB-CG1 3.65Å
11L96.1Very high80.8Confident0 Ų055.2 Ų55.20%031%0.308CS..EExtended strand (participates in β ladder)trans-111.4118.8175.8-53.4178.6000110V9 T62 F63 I65 L75 F77 L102 I105 I130 S131 A132V9-L11 HydrophobicContact CG1-CD2 3.71Å; V9-L11 HydrophobicContact CG1-CG 4.45Å; L11-T62 WeakPolarHBondContact O-CA 3.41Å; L11-F63 HydrophobicContact CB-CB 4.24Å; L11-F63 PolarHBondContact N-O 2.94Å; L11-F63 PolarHBondContact O-N 2.69Å; L11-I65 HydrophobicContact CD1-CG1 4.02Å; L11-L75 HydrophobicContact CD1-CD1 3.99Å; L11-F77 HydrophobicContact CD1-CZ 4.29Å; L11-L102 HydrophobicContact CD1-CD1 4.28Å; L11-L102 HydrophobicContact CD2-CD1 4.08Å; L11-I105 HydrophobicContact CD1-CD1 4.43Å; L11-I105 HydrophobicContact CD2-CD1 4.48Å; L11-I105 HydrophobicContact CD2-CG2 4.09Å; L11-I130 HydrophobicContact CB-CG2 4.15Å; L11-I130 HydrophobicContact CD2-CG2 4.34Å; L11-S131 WeakPolarHBondContact CA-O 3.43Å; L11-A132 HydrophobicContact CD2-CB 3.81Å
12N95.6Very high82.5Confident47 Ų4747 Ų4725%0.25127%0.268SS..EExtended strand (participates in β ladder)trans-102.6134.5174.1-65.6-63000109.8T62 I130 S131N12-T62 PolarHBondContact OD1-OG1 2.82Å; N12-I130 CarbonylContact O-C 3.44Å; N12-I130 WeakPolarHBondContact O-CA 3.27Å; N12-S131 PolarHBondContact N-O 2.98Å; N12-S131 PolarHBondContact O-N 2.95Å
13V97.3Very high84.1Confident4 Ų450.8 Ų50.82%0.02427%0.273CS..EExtended strand (participates in β ladder)trans-119.7139.4-172.9-178.80000111C31 F59 F63 F77 I128 T129 I130V13-C31 HydrophobicContact CG1-CB 4.46Å; V13-F59 HydrophobicContact CB-CD2 4.23Å; V13-F59 HydrophobicContact CG1-CD2 4.1Å; V13-F59 HydrophobicContact CG1-CE2 4.39Å; V13-F59 WeakPolarHBondContact O-CD2 3.29Å; V13-F59 PolarHBondContact O-N 2.72Å; V13-F59 VanDerWaalsContact O-N 3.11Å; V13-F63 HydrophobicContact CG2-CD2 4.02Å; V13-F63 HydrophobicContact CG2-CE2 3.84Å; V13-F77 HydrophobicContact CG2-CD1 4.08Å; V13-F77 HydrophobicContact CG2-CE1 3.8Å; V13-I128 HydrophobicContact CG1-CD1 3.71Å; V13-I128 HydrophobicContact CG1-CG1 3.81Å; V13-T129 WeakPolarHBondContact CA-O 3.32Å; V13-I130 HydrophobicContact CG2-CG1 4.34Å; V13-I130 HydrophobicContact CG2-CG2 4.42Å
14S97.1Very high84.8Confident33 Ų3353.6 Ų53.623%0.23131%0.305CS..EExtended strand (participates in β ladder)trans-141.8154.1168.956.40000109.9P57 I128 T129S14-P57 CarbonylContact C-O 3.55Å; S14-P57 VanDerWaalsContact CA-O 3.24Å; S14-P57 WeakPolarHBondContact CA-O 3.47Å; S14-P57 WeakPolarHBondContact CB-O 3.4Å; S14-I128 CarbonylContact O-C 3.51Å; S14-I128 WeakPolarHBondContact O-CA 3.44Å; S14-T129 PolarHBondContact N-O 3.27Å; S14-T129 PolarHBondContact O-N 3.16Å
15C97.8Very high85.9Confident7 Ų748.2 Ų48.25%0.04729%0.285CS..EExtended strand (participates in β ladder)trans-124.8161.3174.1-58.60000111L18 N56 P57 S127C15-L18 HydrophobicContact CB-CD1 3.99Å; C15-L18 HydrophobicContact CB-CD2 3.7Å; C15-L18 HydrophobicContact CB-CG 3.91Å; C15-N56 CarbonylContact O-C 3.13Å; C15-N56 VanDerWaalsContact O-C 3.24Å; C15-N56 WeakPolarHBondContact O-CA 3.15Å; C15-P57 HydrophobicContact CB-CG 3.79Å; C15-P57 PolarHBondContact N-O 3.29Å; C15-S127 CarbonylContact C-O 3.55Å; C15-S127 WeakPolarHBondContact CA-O 3.14Å; C15-S127 WeakPolarHBondContact CB-O 3.43Å
16A96.7Very high87.1Confident29 Ų2950.9 Ų50.924%0.2429%0.291CS..EExtended strand (participates in β ladder)trans-140.2143.9173.900000111.2L18 L55 N56 G126 S127A16-L18 VanDerWaalsContact C-N 3.34Å; A16-L18 PolarHBondContact O-N 2.59Å; A16-L55 CarbonylContact C-O 3.59Å; A16-N56 VanDerWaalsContact CA-OD1 3.26Å; A16-N56 WeakPolarHBondContact CA-OD1 2.99Å; A16-G126 CarbonylContact O-C 3.58Å; A16-G126 WeakPolarHBondContact O-CA 3.42Å; A16-S127 PolarHBondContact N-O 3.37Å; A16-S127 PolarHBondContact O-N 2.92Å
17N95.9Very high88Confident91 Ų9148.4 Ų48.449%0.48728%0.276SS..SBendtrans54.642.6177.8-49.2-59.6000114.1L55 N56 K125 G126N17-L55 PolarHBondContact N-O 3.14Å; N17-L55 VanDerWaalsContact N-O 3.08Å; N17-N56 PolarHBondContact N-OD1 2.64Å; N17-K125 HydrophobicContact CB-CB 4.08Å; N17-K125 CarbonylContact O-C 3.59Å; N17-G126 WeakPolarHBondContact O-CA 3.19Å; N17-G126 PolarHBondContact O-N 2.78Å; N17-G126 VanDerWaalsContact O-N 3.16Å
18L95.8Very high88.2Confident7 Ų748.7 Ų48.74%0.03728%0.277CS..  trans-57.9155.3174.8-64.2-178.7000111.5C15 A16 P29 L55 P57 V79 L95 L115C15-L18 HydrophobicContact CB-CD1 3.99Å; C15-L18 HydrophobicContact CB-CD2 3.7Å; C15-L18 HydrophobicContact CB-CG 3.91Å; A16-L18 VanDerWaalsContact C-N 3.34Å; A16-L18 PolarHBondContact O-N 2.59Å; L18-P29 HydrophobicContact CD1-CB 3.62Å; L18-P29 HydrophobicContact CD1-CG 3.95Å; L18-L55 HydrophobicContact CB-CB 4.39Å; L18-L55 HydrophobicContact CB-CD2 4.32Å; L18-L55 PolarHBondContact N-O 2.88Å; L18-P57 HydrophobicContact CD1-CG 3.75Å; L18-V79 HydrophobicContact CD1-CG1 4.07Å; L18-V79 HydrophobicContact CD2-CG1 4.3Å; L18-L95 HydrophobicContact CD1-CD1 4.19Å; L18-L115 HydrophobicContact CD2-CD1 3.4Å
19L89.9Confident88.4Confident46 Ų4644.1 Ų44.124%0.24126%0.257CS..  trans-61.2141.7172-68.9173.5000109.6S27 L95 L117 A123L19-S27 PolarHBondContact O-OG 3.42Å; L19-S27 VanDerWaalsContact O-OG 3.14Å; L19-L95 HydrophobicContact CB-CD2 4.12Å; L19-L117 HydrophobicContact CD1-CD2 4.08Å; L19-A123 HydrophobicContact CD1-CB 4.23Å
20D87.6Confident88.4Confident85 Ų8545 Ų4546%0.45526%0.262SS..  trans-96113.5172.4-158.5-3.5000108K26 S27 L55D20-K26 WeakPolarHBondContact OD1-CA 3.18Å; D20-S27 PolarHBondContact OD1-N 3.3Å; D20-L55 HydrophobicContact CB-CD1 4.19Å; D20-L55 HydrophobicContact CB-CD2 4.3Å
21K80.7Confident88.5Confident96 Ų9644.6 Ų44.642%0.41726%0.259SS..  trans-107.3-16.6-175.4-73.1-66.4-168.2161.20113.5S27 D93 L95K21-S27 PolarHBondContact N-OG 3.22Å; K21-D93 HydrophobicContact CB-CB 4.34Å; K21-D93 WeakPolarHBondContact CB-OD2 3.46Å; K21-D93 HydrophobicContact CG-CB 4.37Å; K21-L95 HydrophobicContact CB-CD2 4.44Å; K21-L95 HydrophobicContact CG-CD2 3.63Å
22D72.9Confident88.6Confident35 Ų3544.6 Ų44.619%0.18726%0.259CS..SBendtrans-78.4144.4-179.2-90.1-16000113.6G24 S25 K26D22-G24 PolarHBondContact O-N 2.77Å; D22-S25 VanDerWaalsContact CB-O 3.31Å; D22-S25 WeakPolarHBondContact CB-O 3.36Å; D22-S25 VanDerWaalsContact CB-OG 3.31Å; D22-S25 WeakPolarHBondContact CB-OG 3.33Å; D22-S25 PolarHBondContact OD2-OG 3.02Å; D22-K26 VanDerWaalsContact OD2-O 3.05Å
23I68.9Low88.6Confident177 Ų17742.3 Ų42.391%0.90825%0.247SC*.SBendtrans-92.495.5171.5-56.1176.8000108.7
24G66.1Low88.6Confident89 Ų8944 Ų4492%0.91825%0.253SS*.SBendtrans98.5-3.3173.100000115.6D22D22-G24 PolarHBondContact O-N 2.77Å
25S78.2Confident88.4Confident48 Ų4842.9 Ų42.934%0.33625%0.245SC..SBendtrans-124.6178.9165.742.10000110.1D22 N53D22-S25 VanDerWaalsContact CB-O 3.31Å; D22-S25 WeakPolarHBondContact CB-O 3.36Å; D22-S25 VanDerWaalsContact CB-OG 3.31Å; D22-S25 WeakPolarHBondContact CB-OG 3.33Å; D22-S25 PolarHBondContact OD2-OG 3.02Å; S25-N53 WeakPolarHBondContact CB-OD1 3.19Å
26K81.9Confident88.1Confident106 Ų10643 Ų4346%0.46125%0.245SC..  trans-96.2153.3165.3-69.3172.8-179.6175.30108.6D20 D22 N53 L55D20-K26 WeakPolarHBondContact OD1-CA 3.18Å; D22-K26 VanDerWaalsContact OD2-O 3.05Å; K26-N53 HydrophobicContact CB-CB 4.3Å; K26-N53 WeakPolarHBondContact CD-O 3.35Å; K26-N53 PolarHBondContact N-OD1 3.02Å; K26-N53 WeakPolarHBondContact O-CA 3.32Å; K26-L55 HydrophobicContact CB-CD2 4.34Å; K26-L55 HydrophobicContact CB-CG 4.34Å; K26-L55 HydrophobicContact CD-CG 4.29Å; K26-L55 HydrophobicContact CG-CG 4.31Å
27S87.6Confident87.3Confident0 Ų044 Ų440%025%0.248CC..  trans-47.3145.4170.8-63.80000114.5L19 D20 K21 P29 N53 C54 D81L19-S27 PolarHBondContact O-OG 3.42Å; L19-S27 VanDerWaalsContact O-OG 3.14Å; D20-S27 PolarHBondContact OD1-N 3.3Å; K21-S27 PolarHBondContact N-OG 3.22Å; S27-P29 WeakPolarHBondContact O-CD 3.26Å; S27-N53 CarbonylContact O-C 3.57Å; S27-N53 WeakPolarHBondContact O-CA 3.13Å; S27-N53 PolarHBondContact O-N 3.09Å; S27-C54 PolarHBondContact O-N 2.82Å; S27-D81 WeakPolarHBondContact CA-OD1 3.34Å; S27-D81 VanDerWaalsContact CA-OD2 3.27Å; S27-D81 WeakPolarHBondContact CA-OD2 3.35Å; S27-D81 VanDerWaalsContact CB-CG 3.43Å; S27-D81 WeakPolarHBondContact CB-OD1 3.45Å; S27-D81 WeakPolarHBondContact CB-OD2 3.46Å; S27-D81 PolarHBondContact OG-OD2 2.87Å
28D89.3Confident86Confident16 Ų1642.9 Ų42.99%0.08625%0.247CC..  trans-102.773.5174.2-76.2-4.1000110.9K50 I51 K52 N53 D81 I82D28-K50 HydrophobicContact CB-CD 3.78Å; D28-K50 HydrophobicContact CB-CG 4.02Å; D28-K50 WeakPolarHBondContact O-CG 3.28Å; D28-K50 WeakPolarHBondContact OD2-CE 3.37Å; D28-K50 IonicContact OD2-NZ 3.47Å; D28-K50 PolarHBondContact OD2-NZ 3.2Å; D28-I51 CarbonylContact C-O 3.51Å; D28-I51 WeakPolarHBondContact CA-O 3.36Å; D28-K52 WeakPolarHBondContact OD1-CA 3.4Å; D28-N53 PolarHBondContact OD1-N 2.81Å; D28-N53 PolarHBondContact OD1-ND2 3.3Å; D28-D81 WeakPolarHBondContact CA-OD1 3.45Å; D28-D81 PolarHBondContact N-OD1 3.43Å; D28-I82 PolarHBondContact O-N 3.45Å
29P93.4Very high84.5Confident0 Ų045.1 Ų45.10%027%0.272CS..EExtended strand (participates in β ladder)trans-68.9148-169.328.9-41.1000115.1L18 S27 K50 I51 C54 P57 F59 V79 Y80 L95L18-P29 HydrophobicContact CD1-CB 3.62Å; L18-P29 HydrophobicContact CD1-CG 3.95Å; S27-P29 WeakPolarHBondContact O-CD 3.26Å; P29-K50 WeakPolarHBondContact O-CA 3.19Å; P29-I51 WeakPolarHBondContact CD-O 3.47Å; P29-I51 PolarHBondContact O-N 3.05Å; P29-C54 WeakPolarHBondContact CD-O 3.2Å; P29-C54 WeakPolarHBondContact CG-O 3.43Å; P29-P57 HydrophobicContact CB-CG 4.06Å; P29-P57 HydrophobicContact CG-CB 3.74Å; P29-P57 HydrophobicContact CG-CG 3.58Å; P29-F59 HydrophobicContact CB-CZ 4.35Å; P29-V79 HydrophobicContact CB-CG1 4.29Å; P29-Y80 CarbonylContact C-O 3.57Å; P29-Y80 VanDerWaalsContact CA-O 3.27Å; P29-Y80 WeakPolarHBondContact CA-O 3.3Å; P29-L95 HydrophobicContact CB-CD1 4.17Å
30L94.1Very high83.5Confident20 Ų2051.2 Ų51.211%0.10530%0.3CS..EExtended strand (participates in β ladder)trans-135.4143.6167176149.7000109.5V32 R47 T48 V79 Y80 I82L30-V32 HydrophobicContact CD2-CG2 3.53Å; L30-R47 HydrophobicContact CD1-CB 4.46Å; L30-R47 HydrophobicContact CD2-CB 4.11Å; L30-R47 HydrophobicContact CD2-CG 4.33Å; L30-T48 VanDerWaalsContact CD1-O 3.27Å; L30-T48 WeakPolarHBondContact CD1-O 3.3Å; L30-V79 WeakPolarHBondContact O-CA 3.49Å; L30-Y80 PolarHBondContact N-O 3.42Å; L30-Y80 PolarHBondContact O-N 3.25Å; L30-I82 HydrophobicContact CB-CD1 4.32Å; L30-I82 HydrophobicContact CB-CG1 3.68Å; L30-I82 HydrophobicContact CD1-CG1 4.35Å; L30-I82 HydrophobicContact CG-CG1 4.5Å
31C96.2Very high83.3Confident0 Ų054.6 Ų54.60%031%0.313CS..EExtended strand (participates in β ladder)trans-108.8137.5175.4-174.90000111.8V13 R47 T48 F59 G78V13-C31 HydrophobicContact CG1-CB 4.46Å; C31-R47 CarbonylContact O-C 3.47Å; C31-R47 WeakPolarHBondContact O-CA 3.44Å; C31-T48 HydrophobicContact CB-CG2 3.88Å; C31-T48 PolarHBondContact N-OG1 3.1Å; C31-T48 PolarHBondContact O-N 3.04Å; C31-T48 PolarHBondContact O-OG1 3.35Å; C31-F59 HydrophobicContact CB-CD2 4.32Å; C31-F59 HydrophobicContact CB-CE2 3.87Å; C31-F59 HydrophobicContact CB-CZ 4.13Å; C31-G78 CarbonylContact C-O 3.56Å; C31-G78 WeakPolarHBondContact CA-O 3.5Å
32V96.6Very high83.8Confident0 Ų054.6 Ų54.60%031%0.31CS..EExtended strand (participates in β ladder)trans-117.7129.4179.8-1720000108.6L30 F34 E44 R47 F77 G78 Y80 L89L30-V32 HydrophobicContact CD2-CG2 3.53Å; V32-F34 HydrophobicContact CB-CE2 3.88Å; V32-F34 HydrophobicContact CB-CZ 4.25Å; V32-F34 HydrophobicContact CG1-CD2 4.18Å; V32-F34 HydrophobicContact CG1-CE1 4.16Å; V32-F34 HydrophobicContact CG1-CE2 3.5Å; V32-F34 VanDerWaalsContact CG1-CE2 3.5Å; V32-F34 HydrophobicContact CG1-CZ 3.48Å; V32-F34 VanDerWaalsContact CG1-CZ 3.48Å; V32-E44 HydrophobicContact CG1-CG 3.62Å; V32-R47 HydrophobicContact CB-CG 4.5Å; V32-R47 HydrophobicContact CG1-CG 4.15Å; V32-R47 HydrophobicContact CG2-CG 4.1Å; V32-F77 CarbonylContact O-C 3.52Å; V32-F77 WeakPolarHBondContact O-CA 3.32Å; V32-G78 PolarHBondContact N-O 2.95Å; V32-G78 PolarHBondContact O-N 2.88Å; V32-Y80 HydrophobicContact CB-CE2 4.25Å; V32-Y80 HydrophobicContact CG2-CD2 3.74Å; V32-Y80 HydrophobicContact CG2-CE2 3.75Å; V32-L89 HydrophobicContact CG1-CD1 4.36Å; V32-L89 HydrophobicContact CG2-CD1 3.66Å; V32-L89 HydrophobicContact CG2-CD2 4.46Å
33L97.3Very high84.6Confident0 Ų058.3 Ų58.30%032%0.322CS..EExtended strand (participates in β ladder)trans-99.8126.6175.1179.358.6000110.5V45 E46 F63 I65 L75 F77L33-V45 HydrophobicContact CB-CB 4.46Å; L33-V45 HydrophobicContact CD2-CB 4.39Å; L33-V45 HydrophobicContact CG-CB 4.26Å; L33-V45 HydrophobicContact CG-CG2 4.3Å; L33-V45 PolarHBondContact O-N 3.41Å; L33-E46 PolarHBondContact N-O 3.29Å; L33-F63 HydrophobicContact CB-CD1 4.19Å; L33-F63 HydrophobicContact CB-CD2 4.13Å; L33-F63 HydrophobicContact CB-CE1 4.05Å; L33-F63 HydrophobicContact CB-CE2 3.98Å; L33-F63 HydrophobicContact CB-CG 4.21Å; L33-F63 HydrophobicContact CB-CZ 3.91Å; L33-F63 HydrophobicContact CD2-CB 3.65Å; L33-F63 HydrophobicContact CD2-CD1 4.23Å; L33-F63 HydrophobicContact CD2-CD2 3.92Å; L33-F63 HydrophobicContact CD2-CG 3.68Å; L33-I65 HydrophobicContact CD2-CD1 3.73Å; L33-I65 HydrophobicContact CD2-CG1 4.14Å; L33-L75 HydrophobicContact CD1-CB 4.19Å; L33-L75 HydrophobicContact CD1-CD2 4.12Å; L33-F77 HydrophobicContact CD1-CD1 3.97Å; L33-F77 HydrophobicContact CD1-CD2 4.37Å; L33-F77 HydrophobicContact CD1-CE1 3.63Å; L33-F77 HydrophobicContact CD1-CE2 4.05Å; L33-F77 HydrophobicContact CD1-CG 4.33Å; L33-F77 HydrophobicContact CD1-CZ 3.66Å
34F96.2Very high85.8Confident38 Ų3853.7 Ų53.717%0.16730%0.297CS..EExtended strand (participates in β ladder)trans-112.5144.4168.9-55.6-91.5000110.6V32 W42 Y43 E44 L75 K76V32-F34 HydrophobicContact CB-CE2 3.88Å; V32-F34 HydrophobicContact CB-CZ 4.25Å; V32-F34 HydrophobicContact CG1-CD2 4.18Å; V32-F34 HydrophobicContact CG1-CE1 4.16Å; V32-F34 HydrophobicContact CG1-CE2 3.5Å; V32-F34 VanDerWaalsContact CG1-CE2 3.5Å; V32-F34 HydrophobicContact CG1-CZ 3.48Å; V32-F34 VanDerWaalsContact CG1-CZ 3.48Å; F34-W42 HydrophobicContact CB-CB 4.44Å; F34-W42 HydrophobicContact CB-CD2 4.5Å; F34-W42 HydrophobicContact CB-CE3 3.75Å; F34-W42 HydrophobicContact CB-CZ3 4.42Å; F34-Y43 CarbonylContact C-O 3.49Å; F34-Y43 WeakPolarHBondContact CA-O 3.37Å; F34-E44 HydrophobicContact CD1-CB 4.01Å; F34-E44 HydrophobicContact CD1-CG 4.48Å; F34-E44 HydrophobicContact CE1-CB 3.85Å; F34-E44 HydrophobicContact CE1-CG 4.14Å; F34-L75 WeakPolarHBondContact O-CA 3.23Å; F34-K76 HydrophobicContact CB-CB 4.16Å; F34-K76 HydrophobicContact CD2-CD 4.28Å; F34-K76 HydrophobicContact CD2-CG 4.14Å; F34-K76 PolarHBondContact N-O 3.07Å; F34-K76 PolarHBondContact O-N 3.01Å
35L94.3Very high87Confident11 Ų1152 Ų526%0.05827%0.269CS..EExtended strand (participates in β ladder)trans-124.2143.8178.617457.4000110.2T37 Y43 V45 I65 Q73 K74 L75L35-T37 HydrophobicContact CD1-CG2 3.76Å; L35-T37 HydrophobicContact CD2-CG2 4.48Å; L35-T37 HydrophobicContact CG-CG2 4.11Å; L35-Y43 HydrophobicContact CB-CE1 4.11Å; L35-Y43 HydrophobicContact CB-CE2 3.96Å; L35-Y43 HydrophobicContact CD2-CE2 4.15Å; L35-Y43 WeakPolarHBondContact CD2-OH 3.49Å; L35-Y43 HydrophobicContact CG-CE1 4.04Å; L35-Y43 HydrophobicContact CG-CE2 4.26Å; L35-Y43 VanDerWaalsContact CG-OH 3.29Å; L35-Y43 WeakPolarHBondContact CG-OH 3.32Å; L35-Y43 PolarHBondContact N-O 3.16Å; L35-Y43 WeakPolarHBondContact O-CD1 3.43Å; L35-Y43 VanDerWaalsContact O-CE1 3.3Å; L35-Y43 WeakPolarHBondContact O-CE1 3.11Å; L35-Y43 PolarHBondContact O-N 3.45Å; L35-Y43 VanDerWaalsContact O-N 3.12Å; L35-V45 HydrophobicContact CB-CG2 3.45Å; L35-V45 VanDerWaalsContact CB-CG2 3.45Å; L35-V45 HydrophobicContact CD2-CG2 4.29Å; L35-I65 HydrophobicContact CD2-CG2 4.45Å; L35-Q73 HydrophobicContact CD1-CB 4.2Å; L35-K74 WeakPolarHBondContact CA-O 3.3Å; L35-K74 WeakPolarHBondContact CD1-O 3.33Å; L35-L75 HydrophobicContact CB-CD2 4.33Å; L35-L75 HydrophobicContact CD1-CD2 3.67Å; L35-L75 HydrophobicContact CG-CD2 4.49Å
36N91.3Very high87.7Confident10 Ų1053.1 Ų53.15%0.05327%0.268CS..EExtended strand (participates in β ladder)trans-143.2116.4172.8-177-19.7000109.7S38 G39 Q41 W42 K74N36-S38 PolarHBondContact OD1-N 2.88Å; N36-G39 VanDerWaalsContact OD1-CA 3.3Å; N36-G39 WeakPolarHBondContact OD1-CA 3.47Å; N36-G39 PolarHBondContact OD1-N 2.92Å; N36-Q41 PolarHBondContact ND2-O 3.42Å; N36-W42 HydrophobicContact CB-CD2 3.73Å; N36-W42 HydrophobicContact CB-CE3 3.58Å; N36-W42 HydrophobicContact CB-CG 4.33Å; N36-W42 HydrophobicContact CB-CH2 4.26Å; N36-W42 HydrophobicContact CB-CZ2 4.37Å; N36-W42 HydrophobicContact CB-CZ3 3.85Å; N36-K74 HydrophobicContact CB-CB 4.38Å; N36-K74 PolarHBondContact N-O 3.1Å; N36-K74 WeakPolarHBondContact O-CB 3.09Å; N36-K74 PolarHBondContact O-N 3.12Å
37T78.3Confident88.3Confident49 Ų4951.2 Ų51.230%0.30126%0.258SS..SBendtrans-112.7-14.9-178.453.90000114.3L35 Q73L35-T37 HydrophobicContact CD1-CG2 3.76Å; L35-T37 HydrophobicContact CD2-CG2 4.48Å; L35-T37 HydrophobicContact CG-CG2 4.11Å; T37-Q73 HydrophobicContact CG2-CB 4.48Å; T37-Q73 HydrophobicContact CG2-CG 4.07Å
38S69.9Low88.6Confident67 Ų6751.6 Ų51.647%0.46926%0.261SS..SBendtrans-130.211.1-172.9610000114.2N36 Q40N36-S38 PolarHBondContact OD1-N 2.88Å; S38-Q40 PolarHBondContact O-N 3.35Å
39G63.4Low88.6Confident54 Ų5453.7 Ų53.756%0.55727%0.27SS*.SBendtrans75.1-11.9171.400000116.3N36N36-G39 VanDerWaalsContact OD1-CA 3.3Å; N36-G39 WeakPolarHBondContact OD1-CA 3.47Å; N36-G39 PolarHBondContact OD1-N 2.92Å
40Q69.4Low88.4Confident175 Ų17557.2 Ų57.282%0.81829%0.285SS*.SBendtrans-85.8-38.9-173.2-68.2-171.1-8.900113.8S38S38-Q40 PolarHBondContact O-N 3.35Å
41Q83.4Confident88Confident156 Ų15658 Ų5873%0.72929%0.29SS*.  trans-152.1151.9179-67.4-162.2-19.400112.5N36N36-Q41 PolarHBondContact ND2-O 3.42Å
42W90.4Very high87.6Confident95 Ų9565.2 Ų65.236%0.3632%0.321SS..  trans-86.8136.5164.9-69.596.3000108.9F34 N36 K74 K76F34-W42 HydrophobicContact CB-CB 4.44Å; F34-W42 HydrophobicContact CB-CD2 4.5Å; F34-W42 HydrophobicContact CB-CE3 3.75Å; F34-W42 HydrophobicContact CB-CZ3 4.42Å; N36-W42 HydrophobicContact CB-CD2 3.73Å; N36-W42 HydrophobicContact CB-CE3 3.58Å; N36-W42 HydrophobicContact CB-CG 4.33Å; N36-W42 HydrophobicContact CB-CH2 4.26Å; N36-W42 HydrophobicContact CB-CZ2 4.37Å; N36-W42 HydrophobicContact CB-CZ3 3.85Å; W42-K74 HydrophobicContact CH2-CB 3.77Å; W42-K74 HydrophobicContact CZ2-CB 4.48Å; W42-K74 HydrophobicContact CZ3-CB 4.26Å; W42-K74 WeakPolarHBondContact CZ3-O 3.3Å; W42-K76 HydrophobicContact CE3-CB 4Å; W42-K76 HydrophobicContact CH2-CB 3.67Å; W42-K76 HydrophobicContact CZ2-CB 4.26Å; W42-K76 HydrophobicContact CZ3-CB 3.54Å
43Y90.5Very high87.1Confident114 Ų11469 Ų6945%0.44734%0.341SS..EExtended strand (participates in β ladder)trans-120.7142.7170.260.2-87.1000110.2F34 L35 V45F34-Y43 CarbonylContact C-O 3.49Å; F34-Y43 WeakPolarHBondContact CA-O 3.37Å; L35-Y43 HydrophobicContact CB-CE1 4.11Å; L35-Y43 HydrophobicContact CB-CE2 3.96Å; L35-Y43 HydrophobicContact CD2-CE2 4.15Å; L35-Y43 WeakPolarHBondContact CD2-OH 3.49Å; L35-Y43 HydrophobicContact CG-CE1 4.04Å; L35-Y43 HydrophobicContact CG-CE2 4.26Å; L35-Y43 VanDerWaalsContact CG-OH 3.29Å; L35-Y43 WeakPolarHBondContact CG-OH 3.32Å; L35-Y43 PolarHBondContact N-O 3.16Å; L35-Y43 WeakPolarHBondContact O-CD1 3.43Å; L35-Y43 VanDerWaalsContact O-CE1 3.3Å; L35-Y43 WeakPolarHBondContact O-CE1 3.11Å; L35-Y43 PolarHBondContact O-N 3.45Å; L35-Y43 VanDerWaalsContact O-N 3.12Å; Y43-V45 HydrophobicContact CD2-CG2 4.18Å; Y43-V45 HydrophobicContact CE2-CG2 3.91Å; Y43-V45 PolarHBondContact O-N 3.09Å
44E93.7Very high86.6Confident80 Ų8070.5 Ų70.537%0.37435%0.351SS..EExtended strand (participates in β ladder)trans-69.5123.8172.7-168.5-177.6128.500108.6V32 F34 R47V32-E44 HydrophobicContact CG1-CG 3.62Å; F34-E44 HydrophobicContact CD1-CB 4.01Å; F34-E44 HydrophobicContact CD1-CG 4.48Å; F34-E44 HydrophobicContact CE1-CB 3.85Å; F34-E44 HydrophobicContact CE1-CG 4.14Å; E44-R47 VanDerWaalsContact CD-NE 3.35Å; E44-R47 WeakPolarHBondContact OE1-CG 3.47Å; E44-R47 IonicContact OE1-CZ 3.26Å; E44-R47 IonicContact OE1-NE 2.64Å; E44-R47 PolarHBondContact OE1-NE 2.66Å; E44-R47 IonicContact OE1-NH2 3.28Å; E44-R47 PolarHBondContact OE1-NH2 2.57Å; E44-R47 IonicContact OE2-CZ 3.79Å; E44-R47 IonicContact OE2-NE 2.97Å; E44-R47 PolarHBondContact OE2-NE 3.48Å; E44-R47 IonicContact OE2-NH2 3.73Å; E44-R47 PolarHBondContact OE2-NH2 3.04Å
45V92.5Very high86.4Confident54 Ų5470.2 Ų70.233%0.32735%0.351SS..EExtended strand (participates in β ladder)trans-85.8-56.8176.7-178.30000109.2L33 L35 Y43 I65L33-V45 HydrophobicContact CB-CB 4.46Å; L33-V45 HydrophobicContact CD2-CB 4.39Å; L33-V45 HydrophobicContact CG-CB 4.26Å; L33-V45 HydrophobicContact CG-CG2 4.3Å; L33-V45 PolarHBondContact O-N 3.41Å; L35-V45 HydrophobicContact CB-CG2 3.45Å; L35-V45 VanDerWaalsContact CB-CG2 3.45Å; L35-V45 HydrophobicContact CD2-CG2 4.29Å; Y43-V45 HydrophobicContact CD2-CG2 4.18Å; Y43-V45 HydrophobicContact CE2-CG2 3.91Å; Y43-V45 PolarHBondContact O-N 3.09Å; V45-I65 HydrophobicContact CG1-CD1 3.86Å; V45-I65 HydrophobicContact CG2-CD1 4.45Å
46E91.9Very high86.4Confident70 Ų7073.7 Ų73.733%0.32737%0.37SS..EExtended strand (participates in β ladder)trans-166.4170.5-175.5-150.8171.1-153.600110.9L33 K61 F63L33-E46 PolarHBondContact N-O 3.29Å; E46-K61 WeakPolarHBondContact OE1-CE 3.5Å; E46-K61 IonicContact OE1-NZ 3.23Å; E46-K61 PolarHBondContact OE1-NZ 3.12Å; E46-K61 WeakPolarHBondContact OE2-CE 3.31Å; E46-K61 IonicContact OE2-NZ 2.69Å; E46-K61 PolarHBondContact OE2-NZ 3.32Å; E46-F63 HydrophobicContact CB-CD1 3.88Å; E46-F63 HydrophobicContact CB-CE1 3.94Å
47R94.7Very high86.5Confident66 Ų6673.3 Ų73.325%0.24937%0.368CS..EExtended strand (participates in β ladder)trans-123.6149176.5-59.3-171.8-171.5176.54.2111L30 C31 V32 E44 I87L30-R47 HydrophobicContact CD1-CB 4.46Å; L30-R47 HydrophobicContact CD2-CB 4.11Å; L30-R47 HydrophobicContact CD2-CG 4.33Å; C31-R47 CarbonylContact O-C 3.47Å; C31-R47 WeakPolarHBondContact O-CA 3.44Å; V32-R47 HydrophobicContact CB-CG 4.5Å; V32-R47 HydrophobicContact CG1-CG 4.15Å; V32-R47 HydrophobicContact CG2-CG 4.1Å; E44-R47 VanDerWaalsContact CD-NE 3.35Å; E44-R47 WeakPolarHBondContact OE1-CG 3.47Å; E44-R47 IonicContact OE1-CZ 3.26Å; E44-R47 IonicContact OE1-NE 2.64Å; E44-R47 PolarHBondContact OE1-NE 2.66Å; E44-R47 IonicContact OE1-NH2 3.28Å; E44-R47 PolarHBondContact OE1-NH2 2.57Å; E44-R47 IonicContact OE2-CZ 3.79Å; E44-R47 IonicContact OE2-NE 2.97Å; E44-R47 PolarHBondContact OE2-NE 3.48Å; E44-R47 IonicContact OE2-NH2 3.73Å; E44-R47 PolarHBondContact OE2-NH2 3.04Å; R47-I87 PolarHBondContact NH1-O 3.15Å
48T92.8Very high87.2Confident9 Ų978.6 Ų78.66%0.05539%0.389CS..PPolyproline II helixtrans-74.7173.1167.867.10000111.3L30 C31 F59 K61 F63L30-T48 VanDerWaalsContact CD1-O 3.27Å; L30-T48 WeakPolarHBondContact CD1-O 3.3Å; C31-T48 HydrophobicContact CB-CG2 3.88Å; C31-T48 PolarHBondContact N-OG1 3.1Å; C31-T48 PolarHBondContact O-N 3.04Å; C31-T48 PolarHBondContact O-OG1 3.35Å; T48-F59 HydrophobicContact CG2-CB 3.81Å; T48-F59 HydrophobicContact CG2-CD1 4.14Å; T48-F59 HydrophobicContact CG2-CD2 4.23Å; T48-F59 HydrophobicContact CG2-CG 3.81Å; T48-F59 VanDerWaalsContact OG1-CD1 3.22Å; T48-F59 WeakPolarHBondContact OG1-CD1 3.49Å; T48-F59 WeakPolarHBondContact OG1-CE1 3.36Å; T48-K61 HydrophobicContact CG2-CB 4.29Å; T48-F63 HydrophobicContact CG2-CE1 4.2Å; T48-F63 HydrophobicContact CG2-CE2 3.97Å; T48-F63 HydrophobicContact CG2-CZ 3.48Å; T48-F63 VanDerWaalsContact CG2-CZ 3.48Å
49E89.6Confident88.2Confident59 Ų5976 Ų7628%0.27637%0.37SS..PPolyproline II helixtrans-64.9160160.277.6-78.3-162.100111.7I51 F59 S60 K61E49-I51 HydrophobicContact CG-CG1 4.42Å; E49-F59 WeakPolarHBondContact O-CD1 3.34Å; E49-F59 WeakPolarHBondContact O-CE1 3.42Å; E49-F59 WeakPolarHBondContact OE1-CA 3.37Å; E49-S60 WeakPolarHBondContact OE1-CB 3.24Å; E49-S60 PolarHBondContact OE1-N 2.94Å; E49-S60 PolarHBondContact OE1-OG 2.78Å; E49-K61 WeakPolarHBondContact OE2-CB 3.45Å; E49-K61 PolarHBondContact OE2-N 3.2Å; E49-K61 VanDerWaalsContact OE2-N 3.07Å
50K90.8Very high89.2Confident74 Ų7478 Ų7832%0.32238%0.375SS..PPolyproline II helixtrans-84.2132.4169.6-178.6173.593.9147.30110.6D28 P29 I82D28-K50 HydrophobicContact CB-CD 3.78Å; D28-K50 HydrophobicContact CB-CG 4.02Å; D28-K50 WeakPolarHBondContact O-CG 3.28Å; D28-K50 WeakPolarHBondContact OD2-CE 3.37Å; D28-K50 IonicContact OD2-NZ 3.47Å; D28-K50 PolarHBondContact OD2-NZ 3.2Å; P29-K50 WeakPolarHBondContact O-CA 3.19Å; K50-I82 HydrophobicContact CD-CB 3.69Å; K50-I82 HydrophobicContact CD-CG1 4.45Å; K50-I82 HydrophobicContact CD-CG2 4.13Å; K50-I82 WeakPolarHBondContact CD-O 3.4Å; K50-I82 PolarHBondContact NZ-O 2.88Å
51I85.3Confident90Very high38 Ų3873.2 Ų73.220%0.19535%0.352CS..  trans-107.7121.1173.9-58.7-170.6000109.1D28 P29 E49 C54 P57 Q58 F59D28-I51 CarbonylContact C-O 3.51Å; D28-I51 WeakPolarHBondContact CA-O 3.36Å; P29-I51 WeakPolarHBondContact CD-O 3.47Å; P29-I51 PolarHBondContact O-N 3.05Å; E49-I51 HydrophobicContact CG-CG1 4.42Å; I51-C54 HydrophobicContact CG2-CB 3.62Å; I51-P57 HydrophobicContact CB-CB 4.27Å; I51-P57 HydrophobicContact CD1-CB 3.75Å; I51-P57 HydrophobicContact CG1-CB 4.38Å; I51-Q58 WeakPolarHBondContact CD1-O 3.29Å; I51-F59 HydrophobicContact CD1-CD1 3.79Å; I51-F59 HydrophobicContact CD1-CE1 4.09Å; I51-F59 HydrophobicContact CD1-CG 4.44Å; I51-F59 HydrophobicContact CG1-CD1 3.97Å; I51-F59 HydrophobicContact CG1-CE1 4.02Å
52K87.6Confident90.2Very high151 Ų15167.9 Ų67.966%0.65733%0.33SS*.THydrogen-bonded Turntrans-74.7137.6-176.2-65.5-174.4177.6-176.80112.6D28 C54D28-K52 WeakPolarHBondContact OD1-CA 3.4Å; K52-C54 PolarHBondContact O-N 3.16Å
53N85.3Confident90.4Very high79 Ų7963.4 Ų63.442%0.42231%0.313SS..THydrogen-bonded Turntrans54.347.7165.6-77.4-110.3000113.6S25 K26 S27 D28S25-N53 WeakPolarHBondContact CB-OD1 3.19Å; K26-N53 HydrophobicContact CB-CB 4.3Å; K26-N53 WeakPolarHBondContact CD-O 3.35Å; K26-N53 PolarHBondContact N-OD1 3.02Å; K26-N53 WeakPolarHBondContact O-CA 3.32Å; S27-N53 CarbonylContact O-C 3.57Å; S27-N53 WeakPolarHBondContact O-CA 3.13Å; S27-N53 PolarHBondContact O-N 3.09Å; D28-N53 PolarHBondContact OD1-N 2.81Å; D28-N53 PolarHBondContact OD1-ND2 3.3Å
54C86.9Confident90.5Very high32 Ų3262.5 Ų62.522%0.21631%0.314CS..  trans-140.1116.1-169.8-169.50000112.5S27 P29 I51 K52 N56S27-C54 PolarHBondContact O-N 2.82Å; P29-C54 WeakPolarHBondContact CD-O 3.2Å; P29-C54 WeakPolarHBondContact CG-O 3.43Å; I51-C54 HydrophobicContact CG2-CB 3.62Å; K52-C54 PolarHBondContact O-N 3.16Å; C54-N56 VanDerWaalsContact C-N 3.33Å
55L91.9Very high90.4Very high32 Ų3259 Ų5917%0.16830%0.298CS..SBendtrans-88.2-0.9173.8-55.5-179.2000113.5A16 N17 L18 D20 K26 P57A16-L55 CarbonylContact C-O 3.59Å; N17-L55 PolarHBondContact N-O 3.14Å; N17-L55 VanDerWaalsContact N-O 3.08Å; L18-L55 HydrophobicContact CB-CB 4.39Å; L18-L55 HydrophobicContact CB-CD2 4.32Å; L18-L55 PolarHBondContact N-O 2.88Å; D20-L55 HydrophobicContact CB-CD1 4.19Å; D20-L55 HydrophobicContact CB-CD2 4.3Å; K26-L55 HydrophobicContact CB-CD2 4.34Å; K26-L55 HydrophobicContact CB-CG 4.34Å; K26-L55 HydrophobicContact CD-CG 4.29Å; K26-L55 HydrophobicContact CG-CG 4.31Å; L55-P57 VanDerWaalsContact C-CD 3.46Å
56N94.4Very high90.4Very high84 Ų8459 Ų5945%0.44930%0.297SS..SBendtrans-133.555.8-180-54.3-81.7000111.2C15 A16 N17 C54C15-N56 CarbonylContact O-C 3.13Å; C15-N56 VanDerWaalsContact O-C 3.24Å; C15-N56 WeakPolarHBondContact O-CA 3.15Å; A16-N56 VanDerWaalsContact CA-OD1 3.26Å; A16-N56 WeakPolarHBondContact CA-OD1 2.99Å; N17-N56 PolarHBondContact N-OD1 2.64Å; C54-N56 VanDerWaalsContact C-N 3.33Å
57P93.3Very high90.3Very high1 Ų155.7 Ų55.71%0.00628%0.281CS..  trans-65.6141.1-173.529.7-38.1000112S14 C15 L18 P29 I51 L55 F59S14-P57 CarbonylContact C-O 3.55Å; S14-P57 VanDerWaalsContact CA-O 3.24Å; S14-P57 WeakPolarHBondContact CA-O 3.47Å; S14-P57 WeakPolarHBondContact CB-O 3.4Å; C15-P57 HydrophobicContact CB-CG 3.79Å; C15-P57 PolarHBondContact N-O 3.29Å; L18-P57 HydrophobicContact CD1-CG 3.75Å; P29-P57 HydrophobicContact CB-CG 4.06Å; P29-P57 HydrophobicContact CG-CB 3.74Å; P29-P57 HydrophobicContact CG-CG 3.58Å; I51-P57 HydrophobicContact CB-CB 4.27Å; I51-P57 HydrophobicContact CD1-CB 3.75Å; I51-P57 HydrophobicContact CG1-CB 4.38Å; L55-P57 VanDerWaalsContact C-CD 3.46Å; P57-F59 HydrophobicContact CB-CE1 3.95Å; P57-F59 HydrophobicContact CB-CE2 3.97Å; P57-F59 HydrophobicContact CB-CZ 3.63Å; P57-F59 HydrophobicContact CG-CE1 4.45Å; P57-F59 HydrophobicContact CG-CE2 3.85Å; P57-F59 HydrophobicContact CG-CZ 3.65Å
58Q93.3Very high90.2Very high161 Ų16155.2 Ų55.275%0.75228%0.28SS*.BIsolated β-bridgetrans-116.6111.5163.2-64.2-176.721.900107.2I51I51-Q58 WeakPolarHBondContact CD1-O 3.29Å
59F91.1Very high90.1Very high13 Ų1354.8 Ų54.86%0.05728%0.277CS..  trans-84.3135.7-176.1-56-77.2000110.2V13 P29 C31 T48 E49 I51 P57V13-F59 HydrophobicContact CB-CD2 4.23Å; V13-F59 HydrophobicContact CG1-CD2 4.1Å; V13-F59 HydrophobicContact CG1-CE2 4.39Å; V13-F59 WeakPolarHBondContact O-CD2 3.29Å; V13-F59 PolarHBondContact O-N 2.72Å; V13-F59 VanDerWaalsContact O-N 3.11Å; P29-F59 HydrophobicContact CB-CZ 4.35Å; C31-F59 HydrophobicContact CB-CD2 4.32Å; C31-F59 HydrophobicContact CB-CE2 3.87Å; C31-F59 HydrophobicContact CB-CZ 4.13Å; T48-F59 HydrophobicContact CG2-CB 3.81Å; T48-F59 HydrophobicContact CG2-CD1 4.14Å; T48-F59 HydrophobicContact CG2-CD2 4.23Å; T48-F59 HydrophobicContact CG2-CG 3.81Å; T48-F59 VanDerWaalsContact OG1-CD1 3.22Å; T48-F59 WeakPolarHBondContact OG1-CD1 3.49Å; T48-F59 WeakPolarHBondContact OG1-CE1 3.36Å; E49-F59 WeakPolarHBondContact O-CD1 3.34Å; E49-F59 WeakPolarHBondContact O-CE1 3.42Å; E49-F59 WeakPolarHBondContact OE1-CA 3.37Å; I51-F59 HydrophobicContact CD1-CD1 3.79Å; I51-F59 HydrophobicContact CD1-CE1 4.09Å; I51-F59 HydrophobicContact CD1-CG 4.44Å; I51-F59 HydrophobicContact CG1-CD1 3.97Å; I51-F59 HydrophobicContact CG1-CE1 4.02Å; P57-F59 HydrophobicContact CB-CE1 3.95Å; P57-F59 HydrophobicContact CB-CE2 3.97Å; P57-F59 HydrophobicContact CB-CZ 3.63Å; P57-F59 HydrophobicContact CG-CE1 4.45Å; P57-F59 HydrophobicContact CG-CE2 3.85Å; P57-F59 HydrophobicContact CG-CZ 3.65Å
60S84.1Confident90.1Very high96 Ų9652.6 Ų52.667%0.67127%0.267SS*.  trans-81.3-27174.762.10000112.3E49 T62E49-S60 WeakPolarHBondContact OE1-CB 3.24Å; E49-S60 PolarHBondContact OE1-N 2.94Å; E49-S60 PolarHBondContact OE1-OG 2.78Å; S60-T62 PolarHBondContact O-N 2.91Å
61K86.9Confident89.9Confident74 Ų7449.8 Ų49.832%0.32226%0.256SS..PPolyproline II helixtrans-66.6123.4173.6-178.265.1173.41780110.6E46 T48 E49E46-K61 WeakPolarHBondContact OE1-CE 3.5Å; E46-K61 IonicContact OE1-NZ 3.23Å; E46-K61 PolarHBondContact OE1-NZ 3.12Å; E46-K61 WeakPolarHBondContact OE2-CE 3.31Å; E46-K61 IonicContact OE2-NZ 2.69Å; E46-K61 PolarHBondContact OE2-NZ 3.32Å; T48-K61 HydrophobicContact CG2-CB 4.29Å; E49-K61 WeakPolarHBondContact OE2-CB 3.45Å; E49-K61 PolarHBondContact OE2-N 3.2Å; E49-K61 VanDerWaalsContact OE2-N 3.07Å
62T88.2Confident90.2Very high44 Ų4450 Ų5027%0.2726%0.259SS..PPolyproline II helixtrans-96.8131.6171.9-51.90000109.9A10 L11 N12 S60A10-T62 HydrophobicContact CB-CG2 3.46Å; A10-T62 VanDerWaalsContact CB-CG2 3.46Å; L11-T62 WeakPolarHBondContact O-CA 3.41Å; N12-T62 PolarHBondContact OD1-OG1 2.82Å; S60-T62 PolarHBondContact O-N 2.91Å
63F93.9Very high90.4Very high0 Ų043 Ų430%023%0.229CC..EExtended strand (participates in β ladder)trans-84.2132.4170.7-56.7-59.9000110.3A10 L11 V13 L33 E46 T48 F77A10-F63 CarbonylContact C-O 3.58Å; A10-F63 WeakPolarHBondContact CA-O 3.14Å; L11-F63 HydrophobicContact CB-CB 4.24Å; L11-F63 PolarHBondContact N-O 2.94Å; L11-F63 PolarHBondContact O-N 2.69Å; V13-F63 HydrophobicContact CG2-CD2 4.02Å; V13-F63 HydrophobicContact CG2-CE2 3.84Å; L33-F63 HydrophobicContact CB-CD1 4.19Å; L33-F63 HydrophobicContact CB-CD2 4.13Å; L33-F63 HydrophobicContact CB-CE1 4.05Å; L33-F63 HydrophobicContact CB-CE2 3.98Å; L33-F63 HydrophobicContact CB-CG 4.21Å; L33-F63 HydrophobicContact CB-CZ 3.91Å; L33-F63 HydrophobicContact CD2-CB 3.65Å; L33-F63 HydrophobicContact CD2-CD1 4.23Å; L33-F63 HydrophobicContact CD2-CD2 3.92Å; L33-F63 HydrophobicContact CD2-CG 3.68Å; E46-F63 HydrophobicContact CB-CD1 3.88Å; E46-F63 HydrophobicContact CB-CE1 3.94Å; T48-F63 HydrophobicContact CG2-CE1 4.2Å; T48-F63 HydrophobicContact CG2-CE2 3.97Å; T48-F63 HydrophobicContact CG2-CZ 3.48Å; T48-F63 VanDerWaalsContact CG2-CZ 3.48Å; F63-F77 HydrophobicContact CD2-CE1 4.28Å; F63-F77 HydrophobicContact CE2-CD1 4.5Å; F63-F77 HydrophobicContact CE2-CE1 4.32Å
64I92.1Very high90.9Very high95 Ų9544 Ų4449%0.48723%0.229SC..EExtended strand (participates in β ladder)trans-108.9118.3179.2-58.6179.4000109.1K8 V9 I135K8-I64 HydrophobicContact CB-CG2 4.25Å; K8-I64 HydrophobicContact CD-CG2 4.09Å; K8-I64 HydrophobicContact CG-CG2 4.45Å; V9-I64 WeakPolarHBondContact O-CA 3.31Å; I64-I135 HydrophobicContact CB-CD1 4.36Å; I64-I135 HydrophobicContact CD1-CD1 4.04Å; I64-I135 HydrophobicContact CG1-CD1 3.87Å; I64-I135 HydrophobicContact CG2-CD1 3.77Å
65I92.5Very high91.3Very high6 Ų642.5 Ų42.53%0.03122%0.219CC..EExtended strand (participates in β ladder)trans-123.1135.7-176.6-54.6-65000109.9K8 V9 L11 L33 L35 V45 L102K8-I65 WeakPolarHBondContact CA-O 3.39Å; V9-I65 PolarHBondContact N-O 2.7Å; V9-I65 PolarHBondContact O-N 3.45Å; L11-I65 HydrophobicContact CD1-CG1 4.02Å; L33-I65 HydrophobicContact CD2-CD1 3.73Å; L33-I65 HydrophobicContact CD2-CG1 4.14Å; L35-I65 HydrophobicContact CD2-CG2 4.45Å; V45-I65 HydrophobicContact CG1-CD1 3.86Å; V45-I65 HydrophobicContact CG2-CD1 4.45Å; I65-L102 HydrophobicContact CB-CD2 4.46Å; I65-L102 HydrophobicContact CG2-CD2 3.83Å
66D90.8Very high91.6Very high55 Ų5542.8 Ų42.829%0.29422%0.219SC..EExtended strand (participates in β ladder)trans-69.3132.9169.4-69.2-24.9000109.7K8 Y68 Q73K8-D66 WeakPolarHBondContact CG-OD1 3.31Å; K8-D66 IonicContact NZ-OD1 3.41Å; K8-D66 PolarHBondContact NZ-OD1 2.67Å; D66-Y68 HydrophobicContact CB-CD2 4.44Å; D66-Y68 HydrophobicContact CB-CE2 3.54Å; D66-Q73 PolarHBondContact O-NE2 2.91Å
67Y91.4Very high91.7Very high1 Ų138.8 Ų38.80%0.00420%0.197CC..EExtended strand (participates in β ladder)trans-104.4127.1-178.8172.8-103000111.3V6 T7 V9 F69 L102 V106 F280 L281 Y336V6-Y67 HydrophobicContact CB-CD1 3.95Å; V6-Y67 HydrophobicContact CB-CE1 4.38Å; V6-Y67 HydrophobicContact CG1-CD1 4.23Å; V6-Y67 HydrophobicContact CG1-CE1 4.37Å; V6-Y67 PolarHBondContact N-O 3.36Å; T7-Y67 HydrophobicContact CG2-CD1 4.03Å; T7-Y67 HydrophobicContact CG2-CG 4.47Å; T7-Y67 PolarHBondContact O-N 3.5Å; V9-Y67 HydrophobicContact CG2-CG 4.36Å; Y67-F69 HydrophobicContact CE1-CB 4.2Å; Y67-L102 HydrophobicContact CD2-CD2 3.82Å; Y67-L102 HydrophobicContact CD2-CG 4.12Å; Y67-V106 HydrophobicContact CE2-CG2 4.06Å; Y67-F280 HydrophobicContact CE1-CD1 4.29Å; Y67-F280 HydrophobicContact CE1-CE1 4.47Å; Y67-F280 WeakPolarHBondContact OH-CE1 3.22Å; Y67-L281 HydrophobicContact CD1-CD1 3.82Å; Y67-L281 HydrophobicContact CD1-CD2 4.18Å; Y67-L281 HydrophobicContact CD1-CG 4.09Å; Y67-L281 HydrophobicContact CE1-CD1 4.12Å; Y67-L281 HydrophobicContact CE1-CD2 3.63Å; Y67-L281 HydrophobicContact CE1-CG 3.91Å; Y67-L281 HydrophobicContact CE2-CD2 4.25Å; Y67-L281 HydrophobicContact CG-CD1 4.1Å; Y67-Y336 WeakPolarHBondContact CE2-OH 3.49Å; Y67-Y336 VanDerWaalsContact OH-CE1 3.26Å; Y67-Y336 WeakPolarHBondContact OH-CE1 3.32Å; Y67-Y336 VanDerWaalsContact OH-CZ 3.24Å; Y67-Y336 PolarHBondContact OH-OH 3.45Å
68Y90.9Very high91.9Very high55 Ų5538.8 Ų38.822%0.21620%0.197CC..  trans-124.8113.4175.7-55.7-88.2000107.4A3 C5 D66 E70 V71 Q73A3-Y68 HydrophobicContact CB-CD1 3.76Å; A3-Y68 HydrophobicContact CB-CE1 4.23Å; A3-Y68 WeakPolarHBondContact O-CE1 3.47Å; C5-Y68 HydrophobicContact CB-CE1 3.75Å; D66-Y68 HydrophobicContact CB-CD2 4.44Å; D66-Y68 HydrophobicContact CB-CE2 3.54Å; Y68-E70 PolarHBondContact O-N 2.84Å; Y68-V71 PolarHBondContact O-N 2.85Å; Y68-Q73 PolarHBondContact O-OE1 3.41Å
69F91.1Very high92.1Very high0 Ų031.1 Ų31.10%016%0.162CC..THydrogen-bonded Turntrans-59.8-41-176.3166.1-108.3000111.3Y67 V71 F280 L290 V332 Y336 L508 I511 P512Y67-F69 HydrophobicContact CE1-CB 4.2Å; F69-V71 VanDerWaalsContact C-N 3.27Å; F69-V71 PolarHBondContact O-N 3.29Å; F69-F280 AromaticContact CD2-CE1 3.52Å; F69-F280 HydrophobicContact CD2-CE1 3.52Å; F69-F280 AromaticContact CD2-CZ 3.59Å; F69-F280 HydrophobicContact CD2-CZ 3.59Å; F69-F280 HydrophobicContact CE2-CE1 4.03Å; F69-F280 AromaticContact CE2-CZ 3.6Å; F69-F280 HydrophobicContact CE2-CZ 3.6Å; F69-F280 HydrophobicContact CG-CE1 4.22Å; F69-F280 HydrophobicContact CG-CZ 4.41Å; F69-F280 HydrophobicContact CZ-CZ 4.42Å; F69-L290 HydrophobicContact CE2-CD1 3.98Å; F69-L290 HydrophobicContact CZ-CD1 4.14Å; F69-V332 WeakPolarHBondContact O-CG1 3.25Å; F69-Y336 HydrophobicContact CD2-CD2 4.33Å; F69-Y336 HydrophobicContact CD2-CE1 4.19Å; F69-Y336 AromaticContact CD2-CE2 3.69Å; F69-Y336 HydrophobicContact CD2-CE2 3.69Å; F69-Y336 AromaticContact CD2-CZ 3.62Å; F69-Y336 AromaticContact CE2-CD2 3.71Å; F69-Y336 HydrophobicContact CE2-CD2 3.71Å; F69-Y336 HydrophobicContact CE2-CE1 4.35Å; F69-Y336 AromaticContact CE2-CE2 3.5Å; F69-Y336 HydrophobicContact CE2-CE2 3.5Å; F69-Y336 HydrophobicContact CE2-CG 4.22Å; F69-Y336 AromaticContact CE2-CZ 3.86Å; F69-L508 HydrophobicContact CD1-CB 4.09Å; F69-L508 WeakPolarHBondContact CD1-O 3.19Å; F69-L508 HydrophobicContact CE1-CB 3.76Å; F69-L508 HydrophobicContact CE1-CD1 4.5Å; F69-L508 HydrophobicContact CE1-CD2 4.12Å; F69-L508 HydrophobicContact CE1-CG 4.35Å; F69-I511 HydrophobicContact CE1-CB 3.73Å; F69-I511 HydrophobicContact CE1-CG1 4.39Å; F69-I511 HydrophobicContact CE1-CG2 3.92Å; F69-I511 HydrophobicContact CZ-CB 4.2Å; F69-I511 HydrophobicContact CZ-CG2 3.85Å; F69-P512 HydrophobicContact CB-CG 3.77Å; F69-P512 HydrophobicContact CD1-CG 3.51Å; F69-P512 HydrophobicContact CD2-CG 4.44Å; F69-P512 HydrophobicContact CE1-CG 4.21Å; F69-P512 HydrophobicContact CG-CG 3.64Å
70E89.3Confident92.2Very high13 Ų1331.7 Ų31.76%0.06116%0.163CC..THydrogen-bonded Turntrans-80.31.6-171.969.3-84.1-161.300114.4A3 Y68 Q505 L508A3-E70 WeakPolarHBondContact CA-OE1 3.49Å; A3-E70 HydrophobicContact CB-CG 4.47Å; A3-E70 WeakPolarHBondContact CB-OE1 3.23Å; Y68-E70 PolarHBondContact O-N 2.84Å; E70-Q505 HydrophobicContact CB-CG 4.47Å; E70-Q505 HydrophobicContact CG-CB 4.08Å; E70-Q505 HydrophobicContact CG-CG 3.68Å; E70-L508 HydrophobicContact CB-CB 3.92Å
71V88.4Confident92.6Very high16 Ų1627.1 Ų27.110%0.09713%0.132CC..SBendtrans-121.1132.7-177.8-178.10000111.1Y68 F69 Q73 Q505Y68-V71 PolarHBondContact O-N 2.85Å; F69-V71 VanDerWaalsContact C-N 3.27Å; F69-V71 PolarHBondContact O-N 3.29Å; V71-Q73 VanDerWaalsContact C-N 3.33Å; V71-Q73 HydrophobicContact CB-CG 4.22Å; V71-Q73 HydrophobicContact CG1-CG 3.98Å; V71-Q73 PolarHBondContact O-N 2.99Å; V71-Q505 HydrophobicContact CG2-CG 4.25Å
72V90.5Very high92.5Very high41 Ų4124.4 Ų24.425%0.24812%0.12CC..  trans-74.986.5168.6-172.20000109.7K74 T101 L331 V332V72-K74 HydrophobicContact CG1-CG 4.22Å; V72-K74 PolarHBondContact O-N 3.02Å; V72-T101 HydrophobicContact CG1-CG2 3.82Å; V72-L331 HydrophobicContact CG2-CB 4.12Å; V72-V332 HydrophobicContact CG2-CB 4.43Å; V72-V332 HydrophobicContact CG2-CG2 3.64Å
73Q92.3Very high91.8Very high6 Ų626.3 Ų26.33%0.02813%0.129CC..  trans-79.597.9177.7-63.4177.8-110.100110.5L35 T37 D66 Y68 V71 T101 L102L35-Q73 HydrophobicContact CD1-CB 4.2Å; T37-Q73 HydrophobicContact CG2-CB 4.48Å; T37-Q73 HydrophobicContact CG2-CG 4.07Å; D66-Q73 PolarHBondContact O-NE2 2.91Å; Y68-Q73 PolarHBondContact O-OE1 3.41Å; V71-Q73 VanDerWaalsContact C-N 3.33Å; V71-Q73 HydrophobicContact CB-CG 4.22Å; V71-Q73 HydrophobicContact CG1-CG 3.98Å; V71-Q73 PolarHBondContact O-N 2.99Å; Q73-T101 CarbonylContact O-C 3.58Å; Q73-T101 VanDerWaalsContact O-CA 3.29Å; Q73-T101 WeakPolarHBondContact O-CA 3.27Å; Q73-L102 HydrophobicContact CB-CB 3.95Å; Q73-L102 PolarHBondContact O-N 3.14Å
74K95.1Very high90.7Very high100 Ų10028.7 Ų28.744%0.43514%0.142SC..EExtended strand (participates in β ladder)trans-79.6132.3179.7-60.2178-178.3175.20110.3L35 N36 W42 V72L35-K74 WeakPolarHBondContact CA-O 3.3Å; L35-K74 WeakPolarHBondContact CD1-O 3.33Å; N36-K74 HydrophobicContact CB-CB 4.38Å; N36-K74 PolarHBondContact N-O 3.1Å; N36-K74 WeakPolarHBondContact O-CB 3.09Å; N36-K74 PolarHBondContact O-N 3.12Å; W42-K74 HydrophobicContact CH2-CB 3.77Å; W42-K74 HydrophobicContact CZ2-CB 4.48Å; W42-K74 HydrophobicContact CZ3-CB 4.26Å; W42-K74 WeakPolarHBondContact CZ3-O 3.3Å; V72-K74 HydrophobicContact CG1-CG 4.22Å; V72-K74 PolarHBondContact O-N 3.02Å
75L96.8Very high89.4Confident0 Ų034.4 Ų34.40%016%0.163CC..EExtended strand (participates in β ladder)trans-120.2136.8179.8-58.5175.7000109.3L11 L33 F34 L35 F77 D99 C100 L102 I105L11-L75 HydrophobicContact CD1-CD1 3.99Å; L33-L75 HydrophobicContact CD1-CB 4.19Å; L33-L75 HydrophobicContact CD1-CD2 4.12Å; F34-L75 WeakPolarHBondContact O-CA 3.23Å; L35-L75 HydrophobicContact CB-CD2 4.33Å; L35-L75 HydrophobicContact CD1-CD2 3.67Å; L35-L75 HydrophobicContact CG-CD2 4.49Å; L75-F77 HydrophobicContact CB-CE2 3.81Å; L75-F77 HydrophobicContact CB-CZ 4.43Å; L75-F77 HydrophobicContact CD1-CE2 4.31Å; L75-F77 HydrophobicContact CD1-CZ 4.32Å; L75-D99 WeakPolarHBondContact O-CA 3.48Å; L75-C100 PolarHBondContact N-O 2.89Å; L75-C100 PolarHBondContact O-N 3.25Å; L75-C100 VanDerWaalsContact O-O 3.05Å; L75-L102 HydrophobicContact CD1-CB 4Å; L75-L102 HydrophobicContact CD1-CD1 4.16Å; L75-I105 HydrophobicContact CD1-CD1 3.56Å
76K96.9Very high88.3Confident37 Ų3737.8 Ų37.816%0.16118%0.184CC..EExtended strand (participates in β ladder)trans-124.1126.1171.5166.4-178.4-67-126.10108.4F34 W42 E97 C98 D99F34-K76 HydrophobicContact CB-CB 4.16Å; F34-K76 HydrophobicContact CD2-CD 4.28Å; F34-K76 HydrophobicContact CD2-CG 4.14Å; F34-K76 PolarHBondContact N-O 3.07Å; F34-K76 PolarHBondContact O-N 3.01Å; W42-K76 HydrophobicContact CE3-CB 4Å; W42-K76 HydrophobicContact CH2-CB 3.67Å; W42-K76 HydrophobicContact CZ2-CB 4.26Å; W42-K76 HydrophobicContact CZ3-CB 3.54Å; K76-E97 IonicContact NZ-OE1 2.76Å; K76-E97 PolarHBondContact NZ-OE1 2.89Å; K76-E97 IonicContact NZ-OE2 3.85Å; K76-E97 PolarHBondContact NZ-OE2 3.47Å; K76-C98 WeakPolarHBondContact CA-O 3.13Å; K76-D99 VanDerWaalsContact CB-OD1 3.31Å; K76-D99 WeakPolarHBondContact CB-OD1 3.39Å; K76-D99 WeakPolarHBondContact CE-OD1 3.1Å; K76-D99 VanDerWaalsContact CG-OD1 3.31Å; K76-D99 WeakPolarHBondContact CG-OD1 3.22Å; K76-D99 IonicContact NZ-OD1 2.89Å
77F97.8Very high87.1Confident0 Ų042.1 Ų42.10%021%0.206CC..EExtended strand (participates in β ladder)trans-106.7109.9176.4-63.9-97.2000108.2L11 V13 V32 L33 F63 L75 E97 C98 I105 I128 I130L11-F77 HydrophobicContact CD1-CZ 4.29Å; V13-F77 HydrophobicContact CG2-CD1 4.08Å; V13-F77 HydrophobicContact CG2-CE1 3.8Å; V32-F77 CarbonylContact O-C 3.52Å; V32-F77 WeakPolarHBondContact O-CA 3.32Å; L33-F77 HydrophobicContact CD1-CD1 3.97Å; L33-F77 HydrophobicContact CD1-CD2 4.37Å; L33-F77 HydrophobicContact CD1-CE1 3.63Å; L33-F77 HydrophobicContact CD1-CE2 4.05Å; L33-F77 HydrophobicContact CD1-CG 4.33Å; L33-F77 HydrophobicContact CD1-CZ 3.66Å; F63-F77 HydrophobicContact CD2-CE1 4.28Å; F63-F77 HydrophobicContact CE2-CD1 4.5Å; F63-F77 HydrophobicContact CE2-CE1 4.32Å; L75-F77 HydrophobicContact CB-CE2 3.81Å; L75-F77 HydrophobicContact CB-CZ 4.43Å; L75-F77 HydrophobicContact CD1-CE2 4.31Å; L75-F77 HydrophobicContact CD1-CZ 4.32Å; F77-E97 CarbonylContact O-C 3.55Å; F77-E97 WeakPolarHBondContact O-CA 3.38Å; F77-E97 WeakPolarHBondContact O-CB 3.48Å; F77-C98 PolarHBondContact N-O 2.7Å; F77-C98 PolarHBondContact O-N 2.88Å; F77-I105 HydrophobicContact CE2-CD1 4.23Å; F77-I105 HydrophobicContact CZ-CD1 4.24Å; F77-I128 HydrophobicContact CB-CD1 3.52Å; F77-I128 HydrophobicContact CD1-CD1 4.17Å; F77-I128 HydrophobicContact CG-CD1 3.94Å; F77-I130 HydrophobicContact CD1-CG1 4.38Å; F77-I130 HydrophobicContact CD2-CD1 4.47Å; F77-I130 HydrophobicContact CD2-CG1 4.41Å; F77-I130 HydrophobicContact CE1-CG1 4.04Å; F77-I130 HydrophobicContact CE1-CG2 4.4Å; F77-I130 HydrophobicContact CE2-CD1 4.43Å; F77-I130 HydrophobicContact CE2-CG1 4.09Å; F77-I130 HydrophobicContact CZ-CG1 3.89Å; F77-I130 HydrophobicContact CZ-CG2 4.06Å
78G96.8Very high86.3Confident1 Ų148.7 Ų48.71%0.0124%0.236CC..EExtended strand (participates in β ladder)trans-95.5136.7172.800000110.6C31 V32C31-G78 CarbonylContact C-O 3.56Å; C31-G78 WeakPolarHBondContact CA-O 3.5Å; V32-G78 PolarHBondContact N-O 2.95Å; V32-G78 PolarHBondContact O-N 2.88Å
79V96.8Very high85.5Confident0 Ų047.3 Ų47.30%023%0.233CC..EExtended strand (participates in β ladder)trans-117.2129.3176.4-170.60000108.8L18 P29 L30 L95 G96 L115L18-V79 HydrophobicContact CD1-CG1 4.07Å; L18-V79 HydrophobicContact CD2-CG1 4.3Å; P29-V79 HydrophobicContact CB-CG1 4.29Å; L30-V79 WeakPolarHBondContact O-CA 3.49Å; V79-L95 HydrophobicContact CB-CB 4.28Å; V79-L95 HydrophobicContact CG1-CB 4.12Å; V79-L95 HydrophobicContact CG1-CD1 4.14Å; V79-L95 WeakPolarHBondContact O-CB 3.23Å; V79-L95 PolarHBondContact O-N 3.2Å; V79-G96 PolarHBondContact N-O 2.77Å; V79-G96 PolarHBondContact O-N 3.03Å; V79-L115 HydrophobicContact CG2-CD1 4.26Å; V79-L115 HydrophobicContact CG2-CD2 4.12Å
80Y94.4Very high84.5Confident25 Ų2551.4 Ų51.410%0.09826%0.261CS..EExtended strand (participates in β ladder)trans-129.7147.5-173.7-62.6-100000110P29 L30 V32 L89 D92 D93 F94P29-Y80 CarbonylContact C-O 3.57Å; P29-Y80 VanDerWaalsContact CA-O 3.27Å; P29-Y80 WeakPolarHBondContact CA-O 3.3Å; L30-Y80 PolarHBondContact N-O 3.42Å; L30-Y80 PolarHBondContact O-N 3.25Å; V32-Y80 HydrophobicContact CB-CE2 4.25Å; V32-Y80 HydrophobicContact CG2-CD2 3.74Å; V32-Y80 HydrophobicContact CG2-CE2 3.75Å; Y80-L89 HydrophobicContact CD1-CB 4.42Å; Y80-L89 HydrophobicContact CD2-CD2 4.48Å; Y80-L89 HydrophobicContact CE1-CB 4.2Å; Y80-L89 HydrophobicContact CE2-CD1 4.24Å; Y80-L89 HydrophobicContact CG-CD2 4.29Å; Y80-D92 HydrophobicContact CD1-CB 4.38Å; Y80-D93 CarbonylContact C-O 3.49Å; Y80-D93 WeakPolarHBondContact CA-O 3.44Å; Y80-F94 HydrophobicContact CD1-CD2 4.07Å; Y80-F94 AromaticContact CE1-CD2 3.66Å; Y80-F94 HydrophobicContact CE1-CD2 3.66Å; Y80-F94 HydrophobicContact CE1-CE2 4.34Å; Y80-F94 HydrophobicContact CE2-CD2 4.43Å; Y80-F94 HydrophobicContact CE2-CE2 4.47Å; Y80-F94 AromaticContact CZ-CD2 3.85Å
81D90.9Very high83.5Confident0 Ų056.4 Ų56.40%029%0.289CS..EExtended strand (participates in β ladder)trans-92.1120.2167.8-159.72.6000109S27 D28 D92 D93 L95S27-D81 WeakPolarHBondContact CA-OD1 3.34Å; S27-D81 VanDerWaalsContact CA-OD2 3.27Å; S27-D81 WeakPolarHBondContact CA-OD2 3.35Å; S27-D81 VanDerWaalsContact CB-CG 3.43Å; S27-D81 WeakPolarHBondContact CB-OD1 3.45Å; S27-D81 WeakPolarHBondContact CB-OD2 3.46Å; S27-D81 PolarHBondContact OG-OD2 2.87Å; D28-D81 WeakPolarHBondContact CA-OD1 3.45Å; D28-D81 PolarHBondContact N-OD1 3.43Å; D81-D92 WeakPolarHBondContact O-CB 3.27Å; D81-D93 HydrophobicContact CB-CB 3.8Å; D81-D93 PolarHBondContact N-O 2.87Å; D81-D93 PolarHBondContact O-N 2.87Å; D81-D93 VanDerWaalsContact O-N 3.15Å; D81-L95 HydrophobicContact CB-CD1 3.97Å; D81-L95 HydrophobicContact CB-CD2 4.04Å; D81-L95 HydrophobicContact CB-CG 3.99Å
82I85.6Confident83.1Confident17 Ų1756.3 Ų56.39%0.08729%0.287CS..  trans-109.295.5-171.4-48.1-66.4000110.1D28 L30 K50 L89 D92D28-I82 PolarHBondContact O-N 3.45Å; L30-I82 HydrophobicContact CB-CD1 4.32Å; L30-I82 HydrophobicContact CB-CG1 3.68Å; L30-I82 HydrophobicContact CD1-CG1 4.35Å; L30-I82 HydrophobicContact CG-CG1 4.5Å; K50-I82 HydrophobicContact CD-CB 3.69Å; K50-I82 HydrophobicContact CD-CG1 4.45Å; K50-I82 HydrophobicContact CD-CG2 4.13Å; K50-I82 WeakPolarHBondContact CD-O 3.4Å; K50-I82 PolarHBondContact NZ-O 2.88Å; I82-L89 HydrophobicContact CD1-CD2 3.84Å; I82-D92 HydrophobicContact CD1-CB 3.89Å; I82-D92 VanDerWaalsContact CD1-CG 3.41Å; I82-D92 WeakPolarHBondContact CD1-OD2 3.42Å
83D74.3Confident82.8Confident85 Ų8557.5 Ų57.546%0.45529%0.293SS..  trans-93.8-18.4-176.6-59.1-36000113.4
84N69.1Low82.7Confident49 Ų4958.6 Ų58.626%0.26230%0.297SS..SBendtrans-107.2178.3-173.764.947000111.9T86 D92N84-T86 PolarHBondContact ND2-OG1 2.67Å; N84-T86 PolarHBondContact OD1-N 3.05Å; N84-T86 PolarHBondContact OD1-O 3.49Å; N84-T86 PolarHBondContact OD1-OG1 3.44Å; N84-D92 PolarHBondContact ND2-OD1 3.11Å; N84-D92 PolarHBondContact OD1-OD1 2.9Å
85K66.7Low82.6Confident216 Ų21653.9 Ų53.994%0.93928%0.277SS*.SBendtrans-100.45174.7-64.9-177-180177.50112.4
86T67.5Low82.6Confident77 Ų7753.9 Ų53.947%0.47228%0.277SS..  trans-80.2151.9-177.5440000110.4N84N84-T86 PolarHBondContact ND2-OG1 2.67Å; N84-T86 PolarHBondContact OD1-N 3.05Å; N84-T86 PolarHBondContact OD1-O 3.49Å; N84-T86 PolarHBondContact OD1-OG1 3.44Å
87I67.3Low82.6Confident145 Ų14553.8 Ų53.874%0.74428%0.277SS*.SBendtrans-85.2-20.5179.4-61171.2000110.3R47R47-I87 PolarHBondContact NH1-O 3.15Å
88E73.1Confident82.6Confident139 Ų13954.1 Ų54.165%0.6528%0.279SS*.  trans-79.8128.7-178.9-63.8-174-179.900111.3S90E88-S90 PolarHBondContact O-N 3.5Å
89L74.6Confident82.5Confident26 Ų2658.2 Ų58.214%0.13630%0.301CS..G310 helixtrans-81.81.7-179.5-61.3169.2000113.6V32 Y80 I82 D91 D92V32-L89 HydrophobicContact CG1-CD1 4.36Å; V32-L89 HydrophobicContact CG2-CD1 3.66Å; V32-L89 HydrophobicContact CG2-CD2 4.46Å; Y80-L89 HydrophobicContact CD1-CB 4.42Å; Y80-L89 HydrophobicContact CD2-CD2 4.48Å; Y80-L89 HydrophobicContact CE1-CB 4.2Å; Y80-L89 HydrophobicContact CE2-CD1 4.24Å; Y80-L89 HydrophobicContact CG-CD2 4.29Å; I82-L89 HydrophobicContact CD1-CD2 3.84Å; L89-D91 PolarHBondContact O-N 2.69Å; L89-D92 WeakPolarHBondContact CA-OD2 3.49Å
90S70.3Confident82.4Confident87 Ų8758.7 Ų58.761%0.60830%0.304SS*.G310 helixtrans-67.4-27.6-177.853.30000112.6E88E88-S90 PolarHBondContact O-N 3.5Å
91D68.4Low82.5Confident118 Ų11858.2 Ų58.263%0.63130%0.304SS*.G310 helixtrans-106.32.7-171.1-58.50.4000111.5L89L89-D91 PolarHBondContact O-N 2.69Å
92D79.2Confident82.7Confident13 Ų1358.2 Ų58.27%0.0730%0.304CS..SBendtrans-95.7148.4179.9-68.4-39.7000111.9Y80 D81 I82 N84 L89 F94Y80-D92 HydrophobicContact CD1-CB 4.38Å; D81-D92 WeakPolarHBondContact O-CB 3.27Å; I82-D92 HydrophobicContact CD1-CB 3.89Å; I82-D92 VanDerWaalsContact CD1-CG 3.41Å; I82-D92 WeakPolarHBondContact CD1-OD2 3.42Å; N84-D92 PolarHBondContact ND2-OD1 3.11Å; N84-D92 PolarHBondContact OD1-OD1 2.9Å; L89-D92 WeakPolarHBondContact CA-OD2 3.49Å; D92-F94 PolarHBondContact O-N 3.46Å
93D84.3Confident83.1Confident67 Ų6757.7 Ų57.736%0.35830%0.303SS..EExtended strand (participates in β ladder)trans-78.6119.8-173.2-107.35.6000111.4K21 Y80 D81 L95K21-D93 HydrophobicContact CB-CB 4.34Å; K21-D93 WeakPolarHBondContact CB-OD2 3.46Å; K21-D93 HydrophobicContact CG-CB 4.37Å; Y80-D93 CarbonylContact C-O 3.49Å; Y80-D93 WeakPolarHBondContact CA-O 3.44Å; D81-D93 HydrophobicContact CB-CB 3.8Å; D81-D93 PolarHBondContact N-O 2.87Å; D81-D93 PolarHBondContact O-N 2.87Å; D81-D93 VanDerWaalsContact O-N 3.15Å; D93-L95 PolarHBondContact O-N 3.27Å
94F91.7Very high84.1Confident28 Ų2856.1 Ų56.112%0.12329%0.292CS..EExtended strand (participates in β ladder)trans-76.9117.8-176.1-173.9-110000112.1Y80 D92 E97 L117 K118Y80-F94 HydrophobicContact CD1-CD2 4.07Å; Y80-F94 AromaticContact CE1-CD2 3.66Å; Y80-F94 HydrophobicContact CE1-CD2 3.66Å; Y80-F94 HydrophobicContact CE1-CE2 4.34Å; Y80-F94 HydrophobicContact CE2-CD2 4.43Å; Y80-F94 HydrophobicContact CE2-CE2 4.47Å; Y80-F94 AromaticContact CZ-CD2 3.85Å; D92-F94 PolarHBondContact O-N 3.46Å; F94-E97 HydrophobicContact CE2-CB 4.41Å; F94-E97 HydrophobicContact CZ-CB 3.75Å; F94-E97 HydrophobicContact CZ-CG 3.87Å; F94-L117 HydrophobicContact CD1-CD2 4.38Å; F94-K118 HydrophobicContact CD1-CG 3.88Å; F94-K118 HydrophobicContact CE1-CG 3.65Å; F94-K118 HydrophobicContact CZ-CG 4.11Å
95L92.9Very high85.3Confident1 Ų153.8 Ų53.81%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-92.3-23.6-178.7-60.4179.6000112.9L18 L19 K21 P29 V79 D81 D93 A123L18-L95 HydrophobicContact CD1-CD1 4.19Å; L19-L95 HydrophobicContact CB-CD2 4.12Å; K21-L95 HydrophobicContact CB-CD2 4.44Å; K21-L95 HydrophobicContact CG-CD2 3.63Å; P29-L95 HydrophobicContact CB-CD1 4.17Å; V79-L95 HydrophobicContact CB-CB 4.28Å; V79-L95 HydrophobicContact CG1-CB 4.12Å; V79-L95 HydrophobicContact CG1-CD1 4.14Å; V79-L95 WeakPolarHBondContact O-CB 3.23Å; V79-L95 PolarHBondContact O-N 3.2Å; D81-L95 HydrophobicContact CB-CD1 3.97Å; D81-L95 HydrophobicContact CB-CD2 4.04Å; D81-L95 HydrophobicContact CB-CG 3.99Å; D93-L95 PolarHBondContact O-N 3.27Å; L95-A123 VanDerWaalsContact O-CB 3.27Å; L95-A123 WeakPolarHBondContact O-CB 3.34Å
96G96.2Very high86.7Confident0 Ų043.5 Ų43.50%024%0.235CC..EExtended strand (participates in β ladder)trans147.7170.8172.800000113.5V79 V116V79-G96 PolarHBondContact N-O 2.77Å; V79-G96 PolarHBondContact O-N 3.03Å; G96-V116 CarbonylContact C-O 3.56Å; G96-V116 WeakPolarHBondContact CA-O 3.43Å
97E97.2Very high87.9Confident35 Ų3541.2 Ų41.216%0.16422%0.223CC..EExtended strand (participates in β ladder)trans-131.1163174.561-179.9-15700113.1K76 F77 F94 L115 V116K76-E97 IonicContact NZ-OE1 2.76Å; K76-E97 PolarHBondContact NZ-OE1 2.89Å; K76-E97 IonicContact NZ-OE2 3.85Å; K76-E97 PolarHBondContact NZ-OE2 3.47Å; F77-E97 CarbonylContact O-C 3.55Å; F77-E97 WeakPolarHBondContact O-CA 3.38Å; F77-E97 WeakPolarHBondContact O-CB 3.48Å; F94-E97 HydrophobicContact CE2-CB 4.41Å; F94-E97 HydrophobicContact CZ-CB 3.75Å; F94-E97 HydrophobicContact CZ-CG 3.87Å; E97-L115 WeakPolarHBondContact O-CA 3.46Å; E97-V116 HydrophobicContact CG-CG2 4.03Å; E97-V116 PolarHBondContact N-O 3.19Å; E97-V116 WeakPolarHBondContact O-CG2 3.41Å; E97-V116 PolarHBondContact O-N 2.71Å
98C96.7Very high89Confident7 Ų737 Ų375%0.04721%0.206CC..EExtended strand (participates in β ladder)trans-139.5132.5168.41750000110.1K76 F77 R113 L115 I128K76-C98 WeakPolarHBondContact CA-O 3.13Å; F77-C98 PolarHBondContact N-O 2.7Å; F77-C98 PolarHBondContact O-N 2.88Å; C98-R113 WeakPolarHBondContact SG-CB 3.3Å; C98-L115 HydrophobicContact CB-CD2 4.28Å; C98-I128 HydrophobicContact CB-CG2 3.52Å
99D95.3Very high89.9Confident88 Ų8834.8 Ų34.847%0.47119%0.194SC..EExtended strand (participates in β ladder)trans-104.3139.2173.8-68.1-7.5000110.3L75 K76L75-D99 WeakPolarHBondContact O-CA 3.48Å; K76-D99 VanDerWaalsContact CB-OD1 3.31Å; K76-D99 WeakPolarHBondContact CB-OD1 3.39Å; K76-D99 WeakPolarHBondContact CE-OD1 3.1Å; K76-D99 VanDerWaalsContact CG-OD1 3.31Å; K76-D99 WeakPolarHBondContact CG-OD1 3.22Å; K76-D99 IonicContact NZ-OD1 2.89Å
100C95.4Very high90.8Very high10 Ų1039.7 Ų39.77%0.06821%0.214CC..EExtended strand (participates in β ladder)trans-159.3-178.9172.958.10000110.3L75 L111L75-C100 PolarHBondContact N-O 2.89Å; L75-C100 PolarHBondContact O-N 3.25Å; L75-C100 VanDerWaalsContact O-O 3.05Å; C100-L111 HydrophobicContact CB-CD2 3.77Å
101T95.3Very high92Very high14 Ų1436 Ų369%0.08619%0.188CC..EExtended strand (participates in β ladder)trans-108.3154.5169.465.10000110.5V72 Q73 G103 Q104 I105 D335V72-T101 HydrophobicContact CG1-CG2 3.82Å; Q73-T101 CarbonylContact O-C 3.58Å; Q73-T101 VanDerWaalsContact O-CA 3.29Å; Q73-T101 WeakPolarHBondContact O-CA 3.27Å; T101-G103 PolarHBondContact O-N 2.66Å; T101-Q104 PolarHBondContact O-N 2.94Å; T101-Q104 WeakPolarHBondContact OG1-CG 3.39Å; T101-Q104 PolarHBondContact OG1-N 3.04Å; T101-Q104 VanDerWaalsContact OG1-N 3.13Å; T101-I105 PolarHBondContact O-N 2.67Å; T101-D335 WeakPolarHBondContact CB-OD2 3.35Å; T101-D335 PolarHBondContact OG1-OD2 3.18Å
102L95.5Very high93.4Very high1 Ų134 Ų341%0.00518%0.18CC..Hα-helixtrans-58.6-38.2172.1-176.157000111.2V9 L11 I65 Y67 Q73 L75 Q104 I105 V106V9-L102 HydrophobicContact CG1-CD1 4.35Å; L11-L102 HydrophobicContact CD1-CD1 4.28Å; L11-L102 HydrophobicContact CD2-CD1 4.08Å; I65-L102 HydrophobicContact CB-CD2 4.46Å; I65-L102 HydrophobicContact CG2-CD2 3.83Å; Y67-L102 HydrophobicContact CD2-CD2 3.82Å; Y67-L102 HydrophobicContact CD2-CG 4.12Å; Q73-L102 HydrophobicContact CB-CB 3.95Å; Q73-L102 PolarHBondContact O-N 3.14Å; L75-L102 HydrophobicContact CD1-CB 4Å; L75-L102 HydrophobicContact CD1-CD1 4.16Å; L102-Q104 VanDerWaalsContact C-N 3.33Å; L102-Q104 PolarHBondContact O-N 2.82Å; L102-I105 PolarHBondContact O-N 2.89Å; L102-I105 VanDerWaalsContact O-N 3.13Å; L102-V106 HydrophobicContact CD1-CG1 4.07Å; L102-V106 HydrophobicContact CG-CG1 4.3Å; L102-V106 WeakPolarHBondContact O-CG2 3.36Å; L102-V106 PolarHBondContact O-N 3.37Å
103G94.3Very high94.2Very high6 Ų638.8 Ų38.86%0.06220%0.197CC..Hα-helixtrans-52.2-46.6173.800000112.9T101 I105 V106 S107T101-G103 PolarHBondContact O-N 2.66Å; G103-I105 PolarHBondContact O-N 3.47Å; G103-V106 VanDerWaalsContact O-CG2 3.32Å; G103-V106 WeakPolarHBondContact O-CG2 3.21Å; G103-V106 PolarHBondContact O-N 2.91Å; G103-S107 WeakPolarHBondContact O-CB 3.43Å; G103-S107 PolarHBondContact O-N 3.45Å
104Q94.7Very high94.9Very high51 Ų5139.9 Ų39.924%0.23821%0.207CC..Hα-helixtrans-63-40.4177.5-73.9164.41.200112.8T101 L102 S108 D335T101-Q104 PolarHBondContact O-N 2.94Å; T101-Q104 WeakPolarHBondContact OG1-CG 3.39Å; T101-Q104 PolarHBondContact OG1-N 3.04Å; T101-Q104 VanDerWaalsContact OG1-N 3.13Å; L102-Q104 VanDerWaalsContact C-N 3.33Å; L102-Q104 PolarHBondContact O-N 2.82Å; Q104-S108 PolarHBondContact O-N 2.8Å; Q104-S108 VanDerWaalsContact O-N 3.17Å; Q104-S108 PolarHBondContact O-OG 2.91Å; Q104-D335 HydrophobicContact CG-CB 4.18Å; Q104-D335 VanDerWaalsContact CG-OD1 3.32Å; Q104-D335 WeakPolarHBondContact CG-OD1 3.49Å; Q104-D335 PolarHBondContact NE2-OD1 3.33Å
105I95.6Very high95.1Very high0 Ų038.6 Ų38.60%020%0.202CC..Hα-helixtrans-69.1-45.3-179.5-54.3169.1000110.4L11 L75 F77 T101 L102 G103 S108 K109 L111 I130 A132L11-I105 HydrophobicContact CD1-CD1 4.43Å; L11-I105 HydrophobicContact CD2-CD1 4.48Å; L11-I105 HydrophobicContact CD2-CG2 4.09Å; L75-I105 HydrophobicContact CD1-CD1 3.56Å; F77-I105 HydrophobicContact CE2-CD1 4.23Å; F77-I105 HydrophobicContact CZ-CD1 4.24Å; T101-I105 PolarHBondContact O-N 2.67Å; L102-I105 PolarHBondContact O-N 2.89Å; L102-I105 VanDerWaalsContact O-N 3.13Å; G103-I105 PolarHBondContact O-N 3.47Å; I105-S108 PolarHBondContact O-N 2.84Å; I105-K109 CarbonylContact O-C 3.57Å; I105-K109 VanDerWaalsContact O-CA 3.27Å; I105-K109 WeakPolarHBondContact O-CA 3.3Å; I105-K109 PolarHBondContact O-N 2.93Å; I105-L111 HydrophobicContact CG1-CB 4.44Å; I105-L111 HydrophobicContact CG1-CD2 3.88Å; I105-I130 HydrophobicContact CD1-CG2 4.02Å; I105-I130 HydrophobicContact CG2-CB 4.42Å; I105-I130 HydrophobicContact CG2-CG2 3.96Å; I105-A132 HydrophobicContact CG2-CB 3.74Å
106V94.6Very high95.3Very high0 Ų040.8 Ų40.80%022%0.215CC..Hα-helixtrans-69.9-35.6-179.1-58.60000111.8V9 Y67 L102 G103 K109 A132 L281 I284 M285 Y336V9-V106 HydrophobicContact CG1-CG1 4.17Å; V9-V106 HydrophobicContact CG2-CG1 4.17Å; Y67-V106 HydrophobicContact CE2-CG2 4.06Å; L102-V106 HydrophobicContact CD1-CG1 4.07Å; L102-V106 HydrophobicContact CG-CG1 4.3Å; L102-V106 WeakPolarHBondContact O-CG2 3.36Å; L102-V106 PolarHBondContact O-N 3.37Å; G103-V106 VanDerWaalsContact O-CG2 3.32Å; G103-V106 WeakPolarHBondContact O-CG2 3.21Å; G103-V106 PolarHBondContact O-N 2.91Å; V106-K109 PolarHBondContact O-N 2.99Å; V106-A132 HydrophobicContact CG1-CB 4.37Å; V106-L281 HydrophobicContact CB-CD2 4.05Å; V106-L281 HydrophobicContact CG1-CD2 4.48Å; V106-L281 HydrophobicContact CG2-CD2 3.95Å; V106-I284 HydrophobicContact CG2-CG2 4.46Å; V106-M285 HydrophobicContact CB-CE 3.79Å; V106-M285 HydrophobicContact CB-CG 4.46Å; V106-M285 HydrophobicContact CG1-CE 3.64Å; V106-M285 VanDerWaalsContact O-CG 3.24Å; V106-M285 WeakPolarHBondContact O-CG 3.31Å; V106-Y336 HydrophobicContact CG2-CE1 4.06Å
107S92.8Very high95.3Very high30 Ų3043 Ų4321%0.2123%0.227CC..Hα-helixtrans-63.6-40.9175.8-1790000112.4G103 D335G103-S107 WeakPolarHBondContact O-CB 3.43Å; G103-S107 PolarHBondContact O-N 3.45Å; S107-D335 WeakPolarHBondContact CB-O 3.5Å; S107-D335 PolarHBondContact OG-O 3.03Å
108S90.7Very high95Very high56 Ų5649 Ų4939%0.39225%0.253SS..Hα-helixtrans-88.3-12.3177.979.40000113.9Q104 I105 K110Q104-S108 PolarHBondContact O-N 2.8Å; Q104-S108 VanDerWaalsContact O-N 3.17Å; Q104-S108 PolarHBondContact O-OG 2.91Å; I105-S108 PolarHBondContact O-N 2.84Å; S108-K110 WeakPolarHBondContact CB-O 3.23Å; S108-K110 PolarHBondContact O-N 2.77Å; S108-K110 PolarHBondContact OG-O 2.97Å
109K91.4Very high94.7Very high92 Ų9253.6 Ų53.640%0.428%0.276SS..SBendtrans59.3-33.7-166.7-175.3173.3-176.7157.10114.8I105 V106 S131 A132 M285I105-K109 CarbonylContact O-C 3.57Å; I105-K109 VanDerWaalsContact O-CA 3.27Å; I105-K109 WeakPolarHBondContact O-CA 3.3Å; I105-K109 PolarHBondContact O-N 2.93Å; V106-K109 PolarHBondContact O-N 2.99Å; K109-S131 WeakPolarHBondContact O-CA 3.25Å; K109-A132 PolarHBondContact O-N 2.84Å; K109-M285 HydrophobicContact CB-CB 4.4Å; K109-M285 HydrophobicContact CD-CB 4.42Å
110K94.4Very high94.6Very high129 Ų12952 Ų5256%0.56128%0.28SS*.EExtended strand (participates in β ladder)trans-137.8123.7176.6-176174.9-177177.80108.6S108 T129 I130S108-K110 WeakPolarHBondContact CB-O 3.23Å; S108-K110 PolarHBondContact O-N 2.77Å; S108-K110 PolarHBondContact OG-O 2.97Å; K110-T129 HydrophobicContact CD-CG2 4.23Å; K110-T129 HydrophobicContact CG-CG2 3.95Å; K110-I130 CarbonylContact C-O 3.59Å; K110-I130 WeakPolarHBondContact CA-O 3.32Å
111L95.4Very high94.5Very high11 Ų1159.7 Ų59.76%0.05831%0.308CS..EExtended strand (participates in β ladder)trans-119.7121.1-178.5-177.264.2000109.4C100 I105 R113 T129 I130C100-L111 HydrophobicContact CB-CD2 3.77Å; I105-L111 HydrophobicContact CG1-CB 4.44Å; I105-L111 HydrophobicContact CG1-CD2 3.88Å; L111-R113 HydrophobicContact CD1-CG 4.3Å; L111-R113 HydrophobicContact CD2-CG 4.39Å; L111-R113 HydrophobicContact CG-CG 4.09Å; L111-T129 CarbonylContact O-C 3.56Å; L111-T129 WeakPolarHBondContact O-CA 3.37Å; L111-I130 PolarHBondContact N-O 2.8Å; L111-I130 PolarHBondContact O-N 3.29Å
112T97.3Very high94.5Very high74 Ų7463.6 Ų63.645%0.45433%0.334SS..EExtended strand (participates in β ladder)trans-113.6128.9173.4-60.70000109.5I128 T129T112-I128 WeakPolarHBondContact CA-O 3.22Å; T112-T129 WeakPolarHBondContact CG2-OG1 3.42Å; T112-T129 PolarHBondContact OG1-OG1 3.44Å
113R97.2Very high94.5Very high115 Ų11563.6 Ų63.643%0.43433%0.334SS..EExtended strand (participates in β ladder)trans-137.8148.4-178.4-68.6-65.4-172.5-134.83.6111.2C98 L111 S127 I128C98-R113 WeakPolarHBondContact SG-CB 3.3Å; L111-R113 HydrophobicContact CD1-CG 4.3Å; L111-R113 HydrophobicContact CD2-CG 4.39Å; L111-R113 HydrophobicContact CG-CG 4.09Å; R113-S127 CarbonylContact O-C 3.54Å; R113-S127 VanDerWaalsContact O-CA 3.28Å; R113-S127 WeakPolarHBondContact O-CA 3.48Å; R113-S127 WeakPolarHBondContact O-CB 3.47Å; R113-I128 HydrophobicContact CB-CG2 4.46Å; R113-I128 PolarHBondContact N-O 2.9Å; R113-I128 PolarHBondContact O-N 2.49Å
114P97.6Very high94.4Very high89 Ų8965.7 Ų65.758%0.57836%0.356SS*.EExtended strand (participates in β ladder)trans-66.3146.9168.630.3-34000110.1
115L97.6Very high94.4Very high1 Ų172 Ų721%0.00538%0.382CS..EExtended strand (participates in β ladder)trans-83.1145171.4-72.3168.6000110.3L18 V79 E97 C98 A123 G126 I128L18-L115 HydrophobicContact CD2-CD1 3.4Å; V79-L115 HydrophobicContact CG2-CD1 4.26Å; V79-L115 HydrophobicContact CG2-CD2 4.12Å; E97-L115 WeakPolarHBondContact O-CA 3.46Å; C98-L115 HydrophobicContact CB-CD2 4.28Å; L115-A123 HydrophobicContact CB-CB 3.94Å; L115-A123 WeakPolarHBondContact O-CB 3.45Å; L115-A123 PolarHBondContact O-N 2.98Å; L115-G126 PolarHBondContact N-O 3.5Å; L115-I128 HydrophobicContact CD2-CB 3.97Å; L115-I128 HydrophobicContact CD2-CG2 3.82Å; L115-I128 HydrophobicContact CG-CB 4.28Å; L115-I128 HydrophobicContact CG-CG2 4.31Å
116V97.1Very high94.5Very high48 Ų4872.1 Ų72.129%0.29138%0.383SS..EExtended strand (participates in β ladder)trans-121.2149176.1-62.80000111.4G96 E97 R121G96-V116 CarbonylContact C-O 3.56Å; G96-V116 WeakPolarHBondContact CA-O 3.43Å; E97-V116 HydrophobicContact CG-CG2 4.03Å; E97-V116 PolarHBondContact N-O 3.19Å; E97-V116 WeakPolarHBondContact O-CG2 3.41Å; E97-V116 PolarHBondContact O-N 2.71Å; V116-R121 CarbonylContact C-O 3.24Å; V116-R121 WeakPolarHBondContact CA-O 3.29Å
117L94.8Very high94.7Very high46 Ų4673.4 Ų73.424%0.24139%0.392CS..  trans-79166.8172.7-61.3177.5000110.4L19 F94 N119 G120 R121 A123L19-L117 HydrophobicContact CD1-CD2 4.08Å; F94-L117 HydrophobicContact CD1-CD2 4.38Å; L117-N119 WeakPolarHBondContact CB-OD1 3.26Å; L117-N119 PolarHBondContact O-N 2.76Å; L117-G120 WeakPolarHBondContact O-CA 3.28Å; L117-G120 PolarHBondContact O-N 2.97Å; L117-R121 PolarHBondContact N-O 2.83Å; L117-A123 HydrophobicContact CD2-CB 3.79Å; L117-A123 HydrophobicContact CG-CB 4.03Å
118K91Very high94.9Very high162 Ų16272 Ų7270%0.70438%0.382SS*.THydrogen-bonded Turntrans-56-21.2178.7-64.4-175.5179.9174.90114.4F94 G120F94-K118 HydrophobicContact CD1-CG 3.88Å; F94-K118 HydrophobicContact CE1-CG 3.65Å; F94-K118 HydrophobicContact CZ-CG 4.11Å; K118-G120 VanDerWaalsContact C-N 3.35Å
119N91Very high95.3Very high102 Ų10270.2 Ų70.255%0.54537%0.37SS..THydrogen-bonded Turntrans-92.19.4176.465.87.1000113.6L117 R121L117-N119 WeakPolarHBondContact CB-OD1 3.26Å; L117-N119 PolarHBondContact O-N 2.76Å; N119-R121 PolarHBondContact O-N 2.8Å; N119-R121 VanDerWaalsContact OD1-CB 3.3Å; N119-R121 WeakPolarHBondContact OD1-CB 3.5Å; N119-R121 WeakPolarHBondContact OD1-CG 3.46Å; N119-R121 PolarHBondContact OD1-N 2.89Å
120G92.1Very high95.6Very high54 Ų5465.9 Ų65.956%0.55735%0.351SS*.SBendtrans76.9-1.6-179.400000115.3L117 K118L117-G120 WeakPolarHBondContact O-CA 3.28Å; L117-G120 PolarHBondContact O-N 2.97Å; K118-G120 VanDerWaalsContact C-N 3.35Å
121R94.5Very high95.7Very high173 Ų17361.5 Ų61.565%0.65334%0.336SS*.  trans-75.4150176.9-63.9-176.3-177.8-178.30.5110.7V116 L117 N119 A123V116-R121 CarbonylContact C-O 3.24Å; V116-R121 WeakPolarHBondContact CA-O 3.29Å; L117-R121 PolarHBondContact N-O 2.83Å; N119-R121 PolarHBondContact O-N 2.8Å; N119-R121 VanDerWaalsContact OD1-CB 3.3Å; N119-R121 WeakPolarHBondContact OD1-CB 3.5Å; N119-R121 WeakPolarHBondContact OD1-CG 3.46Å; N119-R121 PolarHBondContact OD1-N 2.89Å; R121-A123 PolarHBondContact O-N 2.87Å
122P95.7Very high95.6Very high96 Ų9661 Ų6162%0.62333%0.334SS*.EExtended strand (participates in β ladder)trans-54.5133.6172.7-25.334.3000112G124P122-G124 PolarHBondContact O-N 2.94Å
123A94.2Very high95.3Very high1 Ų163 Ų631%0.00834%0.338CS..EExtended strand (participates in β ladder)trans-80.265.2173.500000110.5L19 L95 L115 L117 R121 K125 G126L19-A123 HydrophobicContact CD1-CB 4.23Å; L95-A123 VanDerWaalsContact O-CB 3.27Å; L95-A123 WeakPolarHBondContact O-CB 3.34Å; L115-A123 HydrophobicContact CB-CB 3.94Å; L115-A123 WeakPolarHBondContact O-CB 3.45Å; L115-A123 PolarHBondContact O-N 2.98Å; L117-A123 HydrophobicContact CD2-CB 3.79Å; L117-A123 HydrophobicContact CG-CB 4.03Å; R121-A123 PolarHBondContact O-N 2.87Å; A123-K125 PolarHBondContact O-N 3.48Å; A123-G126 PolarHBondContact O-N 3.25Å; A123-G126 VanDerWaalsContact O-N 3.08Å
124G93.4Very high95Very high50 Ų5059.2 Ų59.252%0.51533%0.325SS..EExtended strand (participates in β ladder)trans62.9-128.8-174.100000112.1P122P122-G124 PolarHBondContact O-N 2.94Å
125K95.3Very high94.3Very high182 Ų18258.4 Ų58.479%0.79132%0.315SS*.EExtended strand (participates in β ladder)trans-100.611173.3-63.3-178-178.3177.70112.3N17 A123N17-K125 HydrophobicContact CB-CB 4.08Å; N17-K125 CarbonylContact O-C 3.59Å; A123-K125 PolarHBondContact O-N 3.48Å
126G96.8Very high93.2Very high3 Ų364.3 Ų64.33%0.03134%0.341CS..EExtended strand (participates in β ladder)trans-59.4135.2-177.600000111.5A16 N17 L115 A123A16-G126 CarbonylContact O-C 3.58Å; A16-G126 WeakPolarHBondContact O-CA 3.42Å; N17-G126 WeakPolarHBondContact O-CA 3.19Å; N17-G126 PolarHBondContact O-N 2.78Å; N17-G126 VanDerWaalsContact O-N 3.16Å; L115-G126 PolarHBondContact N-O 3.5Å; A123-G126 PolarHBondContact O-N 3.25Å; A123-G126 VanDerWaalsContact O-N 3.08Å
127S98Very high92.1Very high27 Ų2763.7 Ų63.719%0.18934%0.336CS..EExtended strand (participates in β ladder)trans-138.7151.7174.5600000110.5C15 A16 R113C15-S127 CarbonylContact C-O 3.55Å; C15-S127 WeakPolarHBondContact CA-O 3.14Å; C15-S127 WeakPolarHBondContact CB-O 3.43Å; A16-S127 PolarHBondContact N-O 3.37Å; A16-S127 PolarHBondContact O-N 2.92Å; R113-S127 CarbonylContact O-C 3.54Å; R113-S127 VanDerWaalsContact O-CA 3.28Å; R113-S127 WeakPolarHBondContact O-CA 3.48Å; R113-S127 WeakPolarHBondContact O-CB 3.47Å
128I98.3Very high91.3Very high0 Ų063.3 Ų63.30%033%0.334CS..EExtended strand (participates in β ladder)trans-117.6141.1174.6-173.8171.7000109V13 S14 F77 C98 T112 R113 L115 I130V13-I128 HydrophobicContact CG1-CD1 3.71Å; V13-I128 HydrophobicContact CG1-CG1 3.81Å; S14-I128 CarbonylContact O-C 3.51Å; S14-I128 WeakPolarHBondContact O-CA 3.44Å; F77-I128 HydrophobicContact CB-CD1 3.52Å; F77-I128 HydrophobicContact CD1-CD1 4.17Å; F77-I128 HydrophobicContact CG-CD1 3.94Å; C98-I128 HydrophobicContact CB-CG2 3.52Å; T112-I128 WeakPolarHBondContact CA-O 3.22Å; R113-I128 HydrophobicContact CB-CG2 4.46Å; R113-I128 PolarHBondContact N-O 2.9Å; R113-I128 PolarHBondContact O-N 2.49Å; L115-I128 HydrophobicContact CD2-CB 3.97Å; L115-I128 HydrophobicContact CD2-CG2 3.82Å; L115-I128 HydrophobicContact CG-CB 4.28Å; L115-I128 HydrophobicContact CG-CG2 4.31Å; I128-I130 HydrophobicContact CD1-CD1 4.18Å; I128-I130 HydrophobicContact CD1-CG1 4.4Å; I128-I130 HydrophobicContact CG1-CD1 3.91Å; I128-I130 HydrophobicContact CG1-CG1 4.3Å; I128-I130 HydrophobicContact CG2-CD1 4.11Å
129T98.4Very high91.1Very high20 Ų2059.7 Ų59.712%0.12332%0.316CS..EExtended strand (participates in β ladder)trans-124.8121175.7-660000109.1V13 S14 K110 L111 T112V13-T129 WeakPolarHBondContact CA-O 3.32Å; S14-T129 PolarHBondContact N-O 3.27Å; S14-T129 PolarHBondContact O-N 3.16Å; K110-T129 HydrophobicContact CD-CG2 4.23Å; K110-T129 HydrophobicContact CG-CG2 3.95Å; L111-T129 CarbonylContact O-C 3.56Å; L111-T129 WeakPolarHBondContact O-CA 3.37Å; T112-T129 WeakPolarHBondContact CG2-OG1 3.42Å; T112-T129 PolarHBondContact OG1-OG1 3.44Å
130I98.1Very high91Very high0 Ų055.8 Ų55.80%030%0.296CS..EExtended strand (participates in β ladder)trans-111.5127.7178.1-51.290.3000108.4L11 N12 V13 F77 I105 K110 L111 I128L11-I130 HydrophobicContact CB-CG2 4.15Å; L11-I130 HydrophobicContact CD2-CG2 4.34Å; N12-I130 CarbonylContact O-C 3.44Å; N12-I130 WeakPolarHBondContact O-CA 3.27Å; V13-I130 HydrophobicContact CG2-CG1 4.34Å; V13-I130 HydrophobicContact CG2-CG2 4.42Å; F77-I130 HydrophobicContact CD1-CG1 4.38Å; F77-I130 HydrophobicContact CD2-CD1 4.47Å; F77-I130 HydrophobicContact CD2-CG1 4.41Å; F77-I130 HydrophobicContact CE1-CG1 4.04Å; F77-I130 HydrophobicContact CE1-CG2 4.4Å; F77-I130 HydrophobicContact CE2-CD1 4.43Å; F77-I130 HydrophobicContact CE2-CG1 4.09Å; F77-I130 HydrophobicContact CZ-CG1 3.89Å; F77-I130 HydrophobicContact CZ-CG2 4.06Å; I105-I130 HydrophobicContact CD1-CG2 4.02Å; I105-I130 HydrophobicContact CG2-CB 4.42Å; I105-I130 HydrophobicContact CG2-CG2 3.96Å; K110-I130 CarbonylContact C-O 3.59Å; K110-I130 WeakPolarHBondContact CA-O 3.32Å; L111-I130 PolarHBondContact N-O 2.8Å; L111-I130 PolarHBondContact O-N 3.29Å; I128-I130 HydrophobicContact CD1-CD1 4.18Å; I128-I130 HydrophobicContact CD1-CG1 4.4Å; I128-I130 HydrophobicContact CG1-CD1 3.91Å; I128-I130 HydrophobicContact CG1-CG1 4.3Å; I128-I130 HydrophobicContact CG2-CD1 4.11Å
131S95.3Very high91.1Very high38 Ų3853.2 Ų53.227%0.26627%0.269SS..EExtended strand (participates in β ladder)trans-116.9133.6175.3-520000109.7L11 N12 K109L11-S131 WeakPolarHBondContact CA-O 3.43Å; N12-S131 PolarHBondContact N-O 2.98Å; N12-S131 PolarHBondContact O-N 2.95Å; K109-S131 WeakPolarHBondContact O-CA 3.25Å
132A94.6Very high91.1Very high0 Ų046.6 Ų46.60%025%0.247CC..EExtended strand (participates in β ladder)trans-107.6140.7-179.300000112.3V9 A10 L11 I105 V106 K109 M285V9-A132 HydrophobicContact CG1-CB 3.8Å; A10-A132 CarbonylContact O-C 3.53Å; A10-A132 WeakPolarHBondContact O-CA 3.47Å; L11-A132 HydrophobicContact CD2-CB 3.81Å; I105-A132 HydrophobicContact CG2-CB 3.74Å; V106-A132 HydrophobicContact CG1-CB 4.37Å; K109-A132 PolarHBondContact O-N 2.84Å; A132-M285 HydrophobicContact CB-CE 3.96Å
133E90.9Very high91.2Very high115 Ų11542 Ų4254%0.53722%0.217SC..EExtended strand (participates in β ladder)trans-133.5136.1169.2-63-172.4161.800109.3V9 A10V9-E133 CarbonylContact C-O 3.53Å; V9-E133 WeakPolarHBondContact CA-O 3.19Å; A10-E133 HydrophobicContact CB-CB 4.43Å; A10-E133 PolarHBondContact N-O 2.94Å; A10-E133 PolarHBondContact O-N 3.35Å
134E90.3Very high91.4Very high36 Ų3643.8 Ų43.817%0.16823%0.225CC..EExtended strand (participates in β ladder)trans-71.8129.7171.3-173.5-179-176.800109.7T7 K136 T279 L281T7-E134 WeakPolarHBondContact CB-OE1 3.43Å; T7-E134 HydrophobicContact CG2-CG 3.77Å; T7-E134 WeakPolarHBondContact CG2-OE1 3.41Å; T7-E134 WeakPolarHBondContact OG1-CG 3.49Å; T7-E134 PolarHBondContact OG1-OE1 3.01Å; E134-K136 HydrophobicContact CG-CB 4.19Å; E134-K136 PolarHBondContact O-N 3.14Å; E134-K136 WeakPolarHBondContact OE1-CD 3.27Å; E134-T279 PolarHBondContact OE2-OG1 3.35Å; E134-L281 HydrophobicContact CB-CB 4.5Å; E134-L281 HydrophobicContact CB-CD1 4.44Å; E134-L281 HydrophobicContact CG-CD1 4.3Å
135I83.1Confident91.6Very high73 Ų7341.5 Ų41.537%0.37420%0.201SC..EExtended strand (participates in β ladder)trans-9192.8174.8-53.1177.2000107.9K8 A10 I64K8-I135 HydrophobicContact CB-CB 4.13Å; K8-I135 HydrophobicContact CB-CD1 4.31Å; K8-I135 PolarHBondContact O-N 2.86Å; A10-I135 HydrophobicContact CB-CD1 3.75Å; A10-I135 HydrophobicContact CB-CG1 3.65Å; I64-I135 HydrophobicContact CB-CD1 4.36Å; I64-I135 HydrophobicContact CD1-CD1 4.04Å; I64-I135 HydrophobicContact CG1-CD1 3.87Å; I64-I135 HydrophobicContact CG2-CD1 3.77Å
136K74.8Confident91.7Very high124 Ų12435.2 Ų35.254%0.53917%0.174SC..  trans-157153.8176.3-159.9170.4177175.10113.8E134 T279E134-K136 HydrophobicContact CG-CB 4.19Å; E134-K136 PolarHBondContact O-N 3.14Å; E134-K136 WeakPolarHBondContact OE1-CD 3.27Å; K136-T279 HydrophobicContact CD-CG2 4.11Å
137D73.9Confident91.8Very high35 Ų3535.3 Ų35.319%0.18718%0.175CC..  trans-94.398158.3-170.6-4.4000109.3R139 N199D137-R139 PolarHBondContact O-N 2.84Å; D137-R139 WeakPolarHBondContact OD1-CB 3.49Å; D137-R139 VanDerWaalsContact OD1-CG 3.23Å; D137-R139 WeakPolarHBondContact OD1-CG 3.31Å; D137-R139 IonicContact OD1-CZ 2.83Å; D137-R139 PolarHBondContact OD1-N 3.35Å; D137-R139 IonicContact OD1-NE 3.39Å; D137-R139 PolarHBondContact OD1-NE 3.34Å; D137-R139 IonicContact OD1-NH2 3.54Å; D137-R139 IonicContact OD2-CZ 3.21Å; D137-R139 IonicContact OD2-NE 2.68Å; D137-R139 PolarHBondContact OD2-NE 2.87Å; D137-R139 IonicContact OD2-NH2 2.81Å; D137-R139 PolarHBondContact OD2-NH2 3.17Å; D137-N199 HydrophobicContact CB-CB 4.24Å
138N77.4Confident91.8Very high38 Ų3837.7 Ų37.720%0.20318%0.18CC..  trans-8713177.964.3-5.3000112.8V276 E277 T279 D282N138-V276 VanDerWaalsContact ND2-CG1 3.34Å; N138-V276 WeakPolarHBondContact ND2-CG1 3.29Å; N138-V276 WeakPolarHBondContact OD1-CG1 3.23Å; N138-E277 WeakPolarHBondContact CB-O 3.35Å; N138-E277 PolarHBondContact O-N 3.04Å; N138-E277 VanDerWaalsContact O-N 3.07Å; N138-T279 HydrophobicContact CB-CG2 4.06Å; N138-D282 PolarHBondContact ND2-OD2 2.96Å
139R86.9Confident91.7Very high87 Ų8745.5 Ų45.533%0.32821%0.214SC..EExtended strand (participates in β ladder)trans-77128.8174.1-61.1173.9-65.7174.16.6110.3D137 L198 I274 T275 V276D137-R139 PolarHBondContact O-N 2.84Å; D137-R139 WeakPolarHBondContact OD1-CB 3.49Å; D137-R139 VanDerWaalsContact OD1-CG 3.23Å; D137-R139 WeakPolarHBondContact OD1-CG 3.31Å; D137-R139 IonicContact OD1-CZ 2.83Å; D137-R139 PolarHBondContact OD1-N 3.35Å; D137-R139 IonicContact OD1-NE 3.39Å; D137-R139 PolarHBondContact OD1-NE 3.34Å; D137-R139 IonicContact OD1-NH2 3.54Å; D137-R139 IonicContact OD2-CZ 3.21Å; D137-R139 IonicContact OD2-NE 2.68Å; D137-R139 PolarHBondContact OD2-NE 2.87Å; D137-R139 IonicContact OD2-NH2 2.81Å; D137-R139 PolarHBondContact OD2-NH2 3.17Å; R139-L198 HydrophobicContact CB-CB 4.03Å; R139-L198 HydrophobicContact CB-CD2 3.95Å; R139-L198 WeakPolarHBondContact O-CB 3.41Å; R139-L198 PolarHBondContact O-N 2.93Å; R139-I274 HydrophobicContact CB-CG2 3.84Å; R139-I274 HydrophobicContact CG-CG2 4.15Å; R139-T275 CarbonylContact C-O 3.55Å; R139-T275 WeakPolarHBondContact CA-O 3.32Å; R139-V276 HydrophobicContact CG-CG2 4.06Å
140V89.7Confident91.7Very high19 Ų1944.7 Ų44.712%0.11521%0.209CC..EExtended strand (participates in β ladder)trans-118148.3170.5-57.50000109.4K195 I274 T275 E277V140-K195 HydrophobicContact CG2-CD 4.29Å; V140-I274 WeakPolarHBondContact O-CA 3.4Å; V140-T275 VanDerWaalsContact CG2-OG1 3.26Å; V140-T275 WeakPolarHBondContact CG2-OG1 3.39Å; V140-T275 PolarHBondContact N-O 3.38Å; V140-T275 PolarHBondContact O-N 2.99Å; V140-T275 VanDerWaalsContact O-O 3.14Å; V140-E277 HydrophobicContact CG1-CG 4.41Å; V140-E277 HydrophobicContact CG2-CB 4.48Å; V140-E277 HydrophobicContact CG2-CG 3.66Å
141V93.9Very high91.6Very high0 Ų047.1 Ų47.10%022%0.222CC..EExtended strand (participates in β ladder)trans-104.2116.1178-167.20000108.4F143 K195 I196 L198 L201 M233 C272 E273 I274V141-F143 HydrophobicContact CB-CD2 4.33Å; V141-F143 HydrophobicContact CB-CE2 3.65Å; V141-F143 HydrophobicContact CB-CZ 3.99Å; V141-F143 HydrophobicContact CG1-CD1 4.47Å; V141-F143 HydrophobicContact CG1-CD2 4.07Å; V141-F143 HydrophobicContact CG1-CE1 3.89Å; V141-F143 HydrophobicContact CG1-CE2 3.45Å; V141-F143 VanDerWaalsContact CG1-CE2 3.45Å; V141-F143 HydrophobicContact CG1-CZ 3.35Å; V141-K195 VanDerWaalsContact O-CA 3.26Å; V141-K195 WeakPolarHBondContact O-CA 3.43Å; V141-I196 PolarHBondContact N-O 3.27Å; V141-I196 PolarHBondContact O-N 3.27Å; V141-L198 HydrophobicContact CG2-CB 4.2Å; V141-L198 HydrophobicContact CG2-CD1 3.58Å; V141-L201 HydrophobicContact CG2-CD2 4.32Å; V141-M233 HydrophobicContact CB-CE 4.34Å; V141-M233 HydrophobicContact CG1-CE 3.6Å; V141-M233 HydrophobicContact CG1-SD 4.35Å; V141-M233 HydrophobicContact CG2-CE 3.77Å; V141-M233 HydrophobicContact CG2-SD 4.2Å; V141-C272 VanDerWaalsContact CG1-SG 3.52Å; V141-E273 CarbonylContact C-O 3.58Å; V141-E273 WeakPolarHBondContact CA-O 3.12Å; V141-I274 HydrophobicContact CG2-CG1 4.26Å
142L94.9Very high91.5Very high35 Ų3548.5 Ų48.518%0.18323%0.226CC..EExtended strand (participates in β ladder)trans-85.4125171.9175.767.3000109.4P193 K195 C272 E273L142-P193 HydrophobicContact CD1-CB 4.35Å; L142-K195 HydrophobicContact CB-CG 4.49Å; L142-K195 HydrophobicContact CD1-CG 3.94Å; L142-C272 VanDerWaalsContact O-CA 3.31Å; L142-C272 WeakPolarHBondContact O-CA 3.46Å; L142-E273 HydrophobicContact CB-CB 4.41Å; L142-E273 PolarHBondContact N-O 3.48Å; L142-E273 PolarHBondContact O-N 2.93Å
143F96.9Very high91.4Very high0 Ų050.7 Ų50.70%024%0.236CC..EExtended strand (participates in β ladder)trans-113.7135.6178.1-69.5-77000111.6V141 M145 P193 F194 I196 L201 M233 L236 V269 Q271 C272V141-F143 HydrophobicContact CB-CD2 4.33Å; V141-F143 HydrophobicContact CB-CE2 3.65Å; V141-F143 HydrophobicContact CB-CZ 3.99Å; V141-F143 HydrophobicContact CG1-CD1 4.47Å; V141-F143 HydrophobicContact CG1-CD2 4.07Å; V141-F143 HydrophobicContact CG1-CE1 3.89Å; V141-F143 HydrophobicContact CG1-CE2 3.45Å; V141-F143 VanDerWaalsContact CG1-CE2 3.45Å; V141-F143 HydrophobicContact CG1-CZ 3.35Å; F143-M145 HydrophobicContact CB-CG 4.24Å; F143-M145 HydrophobicContact CB-SD 4.33Å; F143-M145 HydrophobicContact CD1-SD 4.18Å; F143-M145 HydrophobicContact CG-SD 4.44Å; F143-P193 VanDerWaalsContact O-CA 3.29Å; F143-P193 WeakPolarHBondContact O-CA 3.33Å; F143-F194 HydrophobicContact CB-CD1 4.27Å; F143-F194 HydrophobicContact CB-CD2 4.06Å; F143-F194 HydrophobicContact CB-CE1 3.82Å; F143-F194 HydrophobicContact CB-CE2 3.59Å; F143-F194 HydrophobicContact CB-CG 4.38Å; F143-F194 HydrophobicContact CB-CZ 3.45Å; F143-F194 VanDerWaalsContact CB-CZ 3.45Å; F143-F194 HydrophobicContact CD2-CD2 4.02Å; F143-F194 AromaticContact CD2-CE2 3.46Å; F143-F194 HydrophobicContact CD2-CE2 3.46Å; F143-F194 VanDerWaalsContact CD2-CE2 3.46Å; F143-F194 HydrophobicContact CD2-CZ 4.09Å; F143-F194 HydrophobicContact CE2-CE2 4.36Å; F143-F194 HydrophobicContact CG-CD2 4.46Å; F143-F194 AromaticContact CG-CE2 3.75Å; F143-F194 HydrophobicContact CG-CE2 3.75Å; F143-F194 AromaticContact CG-CZ 3.89Å; F143-F194 HydrophobicContact CG-CZ 3.89Å; F143-F194 PolarHBondContact N-O 3.06Å; F143-F194 PolarHBondContact O-N 3.29Å; F143-F194 VanDerWaalsContact O-N 3.16Å; F143-I196 HydrophobicContact CD2-CD1 4.28Å; F143-I196 HydrophobicContact CD2-CG1 4.28Å; F143-I196 HydrophobicContact CE2-CB 4.37Å; F143-I196 HydrophobicContact CE2-CD1 3.95Å; F143-I196 HydrophobicContact CE2-CG1 4.14Å; F143-L201 HydrophobicContact CE2-CD2 3.96Å; F143-L201 HydrophobicContact CZ-CD2 3.79Å; F143-M233 HydrophobicContact CZ-SD 4.31Å; F143-L236 HydrophobicContact CE1-CD1 4.09Å; F143-L236 HydrophobicContact CE1-CD2 4.4Å; F143-L236 HydrophobicContact CZ-CD1 4.22Å; F143-V269 HydrophobicContact CD1-CG1 4.28Å; F143-Q271 WeakPolarHBondContact CA-O 3.42Å; F143-C272 HydrophobicContact CD1-CB 4.35Å; F143-C272 HydrophobicContact CE1-CB 4.29Å
144E97.6Very high91.1Very high37 Ų3747.4 Ų47.417%0.17322%0.222CC..EExtended strand (participates in β ladder)trans-117.9118.2158.4-62-174.2169.800107.8P193 R241 K270 Q271E144-P193 HydrophobicContact CG-CB 4.23Å; E144-P193 HydrophobicContact CG-CG 4.17Å; E144-R241 IonicContact OE1-CZ 3.63Å; E144-R241 IonicContact OE1-NE 2.7Å; E144-R241 IonicContact OE1-NH2 2.69Å; E144-R241 PolarHBondContact OE1-NH2 3.19Å; E144-R241 IonicContact OE2-CZ 3.66Å; E144-R241 IonicContact OE2-NE 3.68Å; E144-R241 PolarHBondContact OE2-NE 2.86Å; E144-R241 IonicContact OE2-NH2 3.49Å; E144-R241 PolarHBondContact OE2-NH2 2.93Å; E144-K270 HydrophobicContact CB-CB 4.22Å; E144-K270 PolarHBondContact O-N 2.66Å; E144-Q271 HydrophobicContact CB-CB 3.93Å; E144-Q271 HydrophobicContact CG-CB 4Å; E144-Q271 PolarHBondContact N-O 3.27Å; E144-Q271 PolarHBondContact O-N 3.29Å; E144-Q271 PolarHBondContact OE1-OE1 3.43Å; E144-Q271 PolarHBondContact OE2-OE1 3.38Å
145M98Very high90.7Very high2 Ų253.5 Ų53.51%0.0126%0.255CS..EExtended strand (participates in β ladder)trans-133.6147.1-172.3-65.7-174.970.200112F143 L163 F165 W191 F194 I267 S268 V269F143-M145 HydrophobicContact CB-CG 4.24Å; F143-M145 HydrophobicContact CB-SD 4.33Å; F143-M145 HydrophobicContact CD1-SD 4.18Å; F143-M145 HydrophobicContact CG-SD 4.44Å; M145-L163 HydrophobicContact CE-CD1 3.88Å; M145-L163 HydrophobicContact SD-CD1 4.29Å; M145-F165 HydrophobicContact CE-CZ 4.18Å; M145-F165 HydrophobicContact SD-CE1 4.46Å; M145-F165 HydrophobicContact SD-CE2 4.5Å; M145-F165 HydrophobicContact SD-CZ 3.62Å; M145-W191 HydrophobicContact CB-CE3 4.2Å; M145-W191 PolarHBondContact O-N 3.22Å; M145-F194 HydrophobicContact CB-CE1 4.47Å; M145-F194 HydrophobicContact CG-CE1 4.39Å; M145-F194 HydrophobicContact CG-CZ 4.41Å; M145-F194 HydrophobicContact SD-CE1 4.2Å; M145-F194 HydrophobicContact SD-CZ 3.72Å; M145-I267 HydrophobicContact CE-CG2 3.48Å; M145-I267 VanDerWaalsContact CE-CG2 3.48Å; M145-S268 WeakPolarHBondContact CA-O 3.06Å; M145-V269 HydrophobicContact CE-CG2 3.6Å; M145-V269 HydrophobicContact CG-CB 4.49Å; M145-V269 HydrophobicContact CG-CG1 4.36Å; M145-V269 HydrophobicContact CG-CG2 4.2Å; M145-V269 HydrophobicContact SD-CG2 4.16Å
146E98.1Very high90.7Very high50 Ų5059.9 Ų59.923%0.23428%0.28CS..EExtended strand (participates in β ladder)trans-140.3164.617365.9-176.8-15600109.6P189 V190 S268 K270E146-P189 CarbonylContact C-O 3.51Å; E146-P189 WeakPolarHBondContact CA-O 3.13Å; E146-P189 WeakPolarHBondContact CB-O 3.25Å; E146-V190 HydrophobicContact CB-CB 4.42Å; E146-V190 HydrophobicContact CB-CG2 3.92Å; E146-S268 PolarHBondContact N-O 3.28Å; E146-S268 PolarHBondContact O-N 3.3Å; E146-K270 HydrophobicContact CG-CD 4.01Å; E146-K270 HydrophobicContact CG-CG 4.09Å; E146-K270 IonicContact OE1-NZ 3.63Å; E146-K270 VanDerWaalsContact OE2-CD 3.3Å; E146-K270 WeakPolarHBondContact OE2-CD 3.48Å; E146-K270 WeakPolarHBondContact OE2-CE 3.48Å; E146-K270 IonicContact OE2-NZ 3.32Å; E146-K270 PolarHBondContact OE2-NZ 2.91Å
147A98.3Very high91.4Very high5 Ų555.9 Ų55.94%0.04127%0.274CS..EExtended strand (participates in β ladder)trans-130.5163.8168.400000110.6L150 N188 P189 W191 V266 I267A147-L150 HydrophobicContact CB-CD1 3.92Å; A147-L150 HydrophobicContact CB-CD2 3.84Å; A147-L150 HydrophobicContact CB-CG 3.91Å; A147-N188 CarbonylContact O-C 3.58Å; A147-N188 VanDerWaalsContact O-C 3.28Å; A147-N188 WeakPolarHBondContact O-CA 3.47Å; A147-P189 HydrophobicContact CB-CG 3.91Å; A147-P189 PolarHBondContact N-O 3.24Å; A147-W191 HydrophobicContact CB-CH2 3.63Å; A147-W191 HydrophobicContact CB-CZ3 3.86Å; A147-V266 CarbonylContact C-O 3.59Å; A147-V266 VanDerWaalsContact CA-O 3.23Å; A147-V266 WeakPolarHBondContact CA-O 3.5Å; A147-V266 WeakPolarHBondContact CB-O 3.49Å; A147-I267 HydrophobicContact CB-CG1 3.98Å
148R98.1Very high92.3Very high77 Ų7758.8 Ų58.829%0.29129%0.285SS..EExtended strand (participates in β ladder)trans-142.9148.8175.364.2-179.9-176.4-89.72.8111.8L150 L187 N188 E246 G265 V266R148-L150 PolarHBondContact O-N 3.48Å; R148-L187 CarbonylContact C-O 3.57Å; R148-N188 VanDerWaalsContact CA-OD1 3.29Å; R148-N188 WeakPolarHBondContact CA-OD1 3.23Å; R148-E246 IonicContact CZ-OE1 2.59Å; R148-E246 IonicContact CZ-OE2 3.84Å; R148-E246 IonicContact NH1-OE1 2.69Å; R148-E246 PolarHBondContact NH1-OE1 3.29Å; R148-E246 IonicContact NH1-OE2 2.61Å; R148-E246 IonicContact NH2-OE1 3.09Å; R148-E246 PolarHBondContact NH2-OE1 2.87Å; R148-E246 IonicContact NH2-OE2 2.81Å; R148-E246 PolarHBondContact NH2-OE2 2.68Å; R148-G265 WeakPolarHBondContact O-CA 3.2Å; R148-V266 HydrophobicContact CG-CB 4.17Å; R148-V266 PolarHBondContact N-O 3.47Å; R148-V266 PolarHBondContact O-N 3.09Å
149K97.4Very high93.1Very high164 Ų16457 Ų5771%0.71328%0.275SS*.SBendtrans51.840.1177.5-57179.3178.5179.30111.9L187 N188 G265K149-L187 PolarHBondContact N-O 2.67Å; K149-L187 VanDerWaalsContact N-O 3.14Å; K149-N188 PolarHBondContact N-OD1 3.25Å; K149-G265 WeakPolarHBondContact O-CA 3.49Å
150L97.8Very high93.5Very high4 Ų454.1 Ų54.12%0.02127%0.266CS..PPolyproline II helixtrans-60143.5172.9-65.4-179.7000109.8A147 R148 N152 P161 L187 P189 I226 S264A147-L150 HydrophobicContact CB-CD1 3.92Å; A147-L150 HydrophobicContact CB-CD2 3.84Å; A147-L150 HydrophobicContact CB-CG 3.91Å; R148-L150 PolarHBondContact O-N 3.48Å; L150-N152 PolarHBondContact O-N 3.04Å; L150-P161 HydrophobicContact CD1-CB 3.63Å; L150-P161 HydrophobicContact CD1-CG 3.82Å; L150-L187 HydrophobicContact CB-CB 4.4Å; L150-L187 HydrophobicContact CB-CD2 4.49Å; L150-L187 PolarHBondContact N-O 3.12Å; L150-P189 HydrophobicContact CD1-CG 3.82Å; L150-I226 HydrophobicContact CB-CG2 4.47Å; L150-I226 HydrophobicContact CD1-CD1 4.41Å; L150-I226 HydrophobicContact CD2-CG2 4.3Å; L150-S264 WeakPolarHBondContact CA-O 3.25Å
151D95.4Very high93.8Very high50 Ų5053.2 Ų53.227%0.26726%0.261SS..PPolyproline II helixtrans-67.3127.6173.8-90.92.3000109.8S159 I226 K254 S264D151-S159 PolarHBondContact O-OG 3.11Å; D151-I226 HydrophobicContact CB-CG2 4.44Å; D151-K254 IonicContact OD2-NZ 2.76Å; D151-K254 PolarHBondContact OD2-NZ 3.49Å; D151-S264 PolarHBondContact N-O 2.99Å; D151-S264 PolarHBondContact OD2-OG 3.01Å
152N93.9Very high94Very high68 Ų6853.3 Ų53.336%0.36426%0.261SS..PPolyproline II helixtrans-70.3132.5173.7-166.411.5000111L150 D154 G157 K158 S159 L187L150-N152 PolarHBondContact O-N 3.04Å; N152-D154 PolarHBondContact ND2-O 3.41Å; N152-D154 PolarHBondContact OD1-N 3.2Å; N152-D154 VanDerWaalsContact OD1-N 3.16Å; N152-G157 PolarHBondContact ND2-O 3.23Å; N152-K158 VanDerWaalsContact OD1-CA 3.26Å; N152-K158 WeakPolarHBondContact OD1-CA 3.32Å; N152-S159 WeakPolarHBondContact CA-OG 3.31Å; N152-S159 PolarHBondContact OD1-N 3.17Å; N152-S159 PolarHBondContact OD1-OG 2.91Å; N152-L187 HydrophobicContact CB-CD1 4.19Å; N152-L187 HydrophobicContact CB-CD2 4.03Å
153K91.3Very high94.2Very high46 Ų4651.7 Ų51.720%0.225%0.253CS..  trans-107.2-18.1172.2-42.4-55.9-145.671.60113.5S159 D216 D224 L225 I226K153-S159 PolarHBondContact N-OG 3.01Å; K153-D216 HydrophobicContact CB-CB 4.23Å; K153-D216 WeakPolarHBondContact CB-OD2 3.46Å; K153-D216 HydrophobicContact CG-CB 4.03Å; K153-D224 HydrophobicContact CB-CB 4.08Å; K153-D224 HydrophobicContact CG-CB 4.07Å; K153-L225 WeakPolarHBondContact CE-O 3.33Å; K153-L225 PolarHBondContact NZ-O 3.15Å; K153-I226 HydrophobicContact CG-CG1 4.12Å
154D85.5Confident94.2Very high45 Ų4552.3 Ų52.324%0.24126%0.256CS..  trans-78.1142.6178.6-70.1-47000114.4N152 S159N152-D154 PolarHBondContact ND2-O 3.41Å; N152-D154 PolarHBondContact OD1-N 3.2Å; N152-D154 VanDerWaalsContact OD1-N 3.16Å; D154-S159 WeakPolarHBondContact OD2-CA 3.35Å; D154-S159 PolarHBondContact OD2-N 3.06Å
155L82.5Confident94.3Very high165 Ų16550.5 Ų50.586%0.86425%0.247SC*.SBendtrans-79.9-32171.6-68.9172000112.7
156F83.1Confident94.2Very high206 Ų20651.1 Ų51.190%0.90425%0.25SS*.SBendtrans-128.676.1-178.4-65.2-74.5000110.9
157G88Confident94.1Very high40 Ų4050.1 Ų50.141%0.41225%0.245SC..SBendtrans142.9-163.6-17700000111.1N152N152-G157 PolarHBondContact ND2-O 3.23Å
158K93.3Very high93.8Very high97 Ų9753.9 Ų53.942%0.42226%0.262SS..  trans-113.8157162.8-61.3165.5178.6172.80107.1N152 N185 L187N152-K158 VanDerWaalsContact OD1-CA 3.26Å; N152-K158 WeakPolarHBondContact OD1-CA 3.32Å; K158-N185 WeakPolarHBondContact CB-OD1 3.38Å; K158-N185 WeakPolarHBondContact CG-OD1 3.41Å; K158-N185 PolarHBondContact N-OD1 3.37Å; K158-N185 WeakPolarHBondContact O-CA 3.35Å; K158-L187 HydrophobicContact CB-CD2 3.92Å; K158-L187 HydrophobicContact CB-CG 3.94Å; K158-L187 HydrophobicContact CD-CG 4.12Å; K158-L187 HydrophobicContact CG-CD1 4.3Å; K158-L187 HydrophobicContact CG-CD2 4.5Å; K158-L187 HydrophobicContact CG-CG 4.04Å
159S94.1Very high93.4Very high0 Ų051.6 Ų51.60%026%0.256CS..  trans-45.4147.7170.4-64.20000114.1D151 N152 K153 D154 P161 N185 N186 D216D151-S159 PolarHBondContact O-OG 3.11Å; N152-S159 WeakPolarHBondContact CA-OG 3.31Å; N152-S159 PolarHBondContact OD1-N 3.17Å; N152-S159 PolarHBondContact OD1-OG 2.91Å; K153-S159 PolarHBondContact N-OG 3.01Å; D154-S159 WeakPolarHBondContact OD2-CA 3.35Å; D154-S159 PolarHBondContact OD2-N 3.06Å; S159-P161 WeakPolarHBondContact O-CD 3.42Å; S159-N185 PolarHBondContact O-N 3.42Å; S159-N186 PolarHBondContact O-N 3.44Å; S159-D216 WeakPolarHBondContact CA-OD1 3.26Å; S159-D216 VanDerWaalsContact CA-OD2 3.28Å; S159-D216 WeakPolarHBondContact CA-OD2 3.26Å; S159-D216 VanDerWaalsContact CB-OD1 3.32Å; S159-D216 WeakPolarHBondContact CB-OD1 3.49Å; S159-D216 WeakPolarHBondContact CB-OD2 3.29Å; S159-D216 PolarHBondContact OG-OD2 3.12Å
160D95.1Very high92.8Very high26 Ų2650 Ų5014%0.13927%0.266CS..  trans-102.268.8172.8-70.1-14.4000110.2V182 V183 K184 N185 D216 Y217D160-V182 HydrophobicContact CB-CG1 3.81Å; D160-V183 CarbonylContact C-O 3.52Å; D160-V183 WeakPolarHBondContact CA-O 3.14Å; D160-K184 WeakPolarHBondContact OD1-CA 3.26Å; D160-N185 PolarHBondContact OD1-N 3.06Å; D160-D216 PolarHBondContact N-OD1 3.02Å; D160-Y217 PolarHBondContact O-N 3.29Å; D160-Y217 VanDerWaalsContact O-N 3.12Å
161P97.4Very high92.5Very high0 Ų055 Ų550%029%0.293CS..EExtended strand (participates in β ladder)trans-72.4144.9-166.929.7-41.2000115.2L150 S159 V183 N186 P189 W191 Y215 I226L150-P161 HydrophobicContact CD1-CB 3.63Å; L150-P161 HydrophobicContact CD1-CG 3.82Å; S159-P161 WeakPolarHBondContact O-CD 3.42Å; P161-V183 WeakPolarHBondContact CD-O 3.42Å; P161-V183 PolarHBondContact O-N 2.97Å; P161-V183 VanDerWaalsContact O-N 3.11Å; P161-N186 WeakPolarHBondContact CD-O 3.45Å; P161-N186 WeakPolarHBondContact CG-O 3.33Å; P161-P189 HydrophobicContact CB-CG 4.23Å; P161-P189 HydrophobicContact CG-CB 3.8Å; P161-P189 HydrophobicContact CG-CG 3.53Å; P161-W191 HydrophobicContact CB-CZ2 4.21Å; P161-W191 PolarHBondContact O-NE1 3.41Å; P161-Y215 VanDerWaalsContact CA-O 3.24Å; P161-Y215 WeakPolarHBondContact CA-O 3.45Å; P161-I226 HydrophobicContact CB-CD1 4.17Å
162Y97.8Very high92.1Very high3 Ų354.3 Ų54.31%0.01230%0.297CS..EExtended strand (participates in β ladder)trans-139.3163.6165.668.2-85.6000111.2E164 R179 V182 C214 Y215 H223Y162-E164 HydrophobicContact CD2-CG 4.08Å; Y162-E164 HydrophobicContact CE2-CG 3.68Å; Y162-R179 HydrophobicContact CD2-CG 3.69Å; Y162-R179 HydrophobicContact CE2-CG 4.05Å; Y162-V182 HydrophobicContact CD1-CG2 4.03Å; Y162-V182 HydrophobicContact CG-CG2 4.3Å; Y162-C214 WeakPolarHBondContact O-CA 3.02Å; Y162-Y215 VanDerWaalsContact CE1-CB 3.44Å; Y162-Y215 HydrophobicContact CE2-CD2 4.19Å; Y162-Y215 HydrophobicContact CE2-CG 4.34Å; Y162-Y215 AromaticContact CZ-CG 3.96Å; Y162-Y215 PolarHBondContact N-O 2.7Å; Y162-Y215 PolarHBondContact O-N 3.27Å; Y162-Y215 WeakPolarHBondContact OH-CB 3.26Å; Y162-H223 WeakPolarHBondContact OH-CB 3.37Å; Y162-H223 PolarHBondContact OH-CD2 3.01Å
163L98.3Very high92.1Very high0 Ų055.7 Ų55.70%031%0.305CS..EExtended strand (participates in β ladder)trans-111.8144.8178.4-59.2179.8000111.7M145 F165 R179 T180 W191 V212 E213 C214 I267M145-L163 HydrophobicContact CE-CD1 3.88Å; M145-L163 HydrophobicContact SD-CD1 4.29Å; L163-F165 HydrophobicContact CB-CE2 4.18Å; L163-F165 HydrophobicContact CD1-CE2 4.48Å; L163-R179 VanDerWaalsContact O-CA 3.3Å; L163-R179 WeakPolarHBondContact O-CA 3.49Å; L163-T180 HydrophobicContact CB-CG2 3.95Å; L163-T180 PolarHBondContact N-OG1 2.79Å; L163-T180 PolarHBondContact O-N 2.92Å; L163-W191 HydrophobicContact CD1-CD2 4.23Å; L163-W191 HydrophobicContact CD1-CE3 3.84Å; L163-W191 HydrophobicContact CD1-CH2 3.86Å; L163-W191 HydrophobicContact CD1-CZ2 4.25Å; L163-W191 HydrophobicContact CD1-CZ3 3.65Å; L163-W191 HydrophobicContact CD2-CH2 3.72Å; L163-W191 HydrophobicContact CD2-CZ2 3.96Å; L163-W191 HydrophobicContact CD2-CZ3 4.34Å; L163-W191 HydrophobicContact CG-CD2 4.31Å; L163-W191 HydrophobicContact CG-CE3 4.31Å; L163-W191 HydrophobicContact CG-CH2 3.69Å; L163-W191 HydrophobicContact CG-CZ2 3.7Å; L163-W191 HydrophobicContact CG-CZ3 4.02Å; L163-V212 HydrophobicContact CB-CG1 4.46Å; L163-V212 HydrophobicContact CD2-CG1 4.36Å; L163-E213 CarbonylContact C-O 3.39Å; L163-E213 WeakPolarHBondContact CA-O 3.38Å; L163-C214 HydrophobicContact CD2-CB 3.66Å; L163-I267 HydrophobicContact CD1-CG2 4.46Å; L163-I267 HydrophobicContact CD2-CD1 3.75Å
164E98.1Very high92.3Very high13 Ų1357.3 Ų57.36%0.06131%0.31CS..EExtended strand (participates in β ladder)trans-122.9125.7169.9-63.8-170.4156.700111.2Y162 H166 M176 H178 R179 V212 E213 Y215Y162-E164 HydrophobicContact CD2-CG 4.08Å; Y162-E164 HydrophobicContact CE2-CG 3.68Å; E164-H166 VanDerWaalsContact CB-CE1 3.45Å; E164-H166 WeakPolarHBondContact CB-CE1 3.25Å; E164-H166 PolarHBondContact O-ND1 3.45Å; E164-H166 IonicContact OE2-CE1 3.43Å; E164-H166 PolarHBondContact OE2-CE1 3.46Å; E164-H166 IonicContact OE2-NE2 2.72Å; E164-M176 HydrophobicContact CB-CG 4.49Å; E164-M176 HydrophobicContact CG-SD 4.22Å; E164-H178 WeakPolarHBondContact CA-O 3.4Å; E164-R179 HydrophobicContact CG-CG 4.15Å; E164-R179 IonicContact OE1-CZ 2.94Å; E164-R179 IonicContact OE1-NE 2.7Å; E164-R179 PolarHBondContact OE1-NE 3.02Å; E164-R179 IonicContact OE1-NH2 3.1Å; E164-R179 PolarHBondContact OE1-NH2 2.97Å; E164-V212 WeakPolarHBondContact O-CA 3.44Å; E164-E213 PolarHBondContact N-O 3.2Å; E164-E213 PolarHBondContact O-N 3.4Å; E164-Y215 HydrophobicContact CG-CD2 4.2Å; E164-Y215 HydrophobicContact CG-CE2 4.38Å; E164-Y215 WeakPolarHBondContact OE2-CE2 3.48Å
165F98.1Very high92.6Very high0 Ų059.3 Ų59.30%032%0.32CS..EExtended strand (participates in β ladder)trans-97.5133.6175.8-70.7-103.6000110M145 L163 M176 V177 H178 F194 I196 L201 I210 V212M145-F165 HydrophobicContact CE-CZ 4.18Å; M145-F165 HydrophobicContact SD-CE1 4.46Å; M145-F165 HydrophobicContact SD-CE2 4.5Å; M145-F165 HydrophobicContact SD-CZ 3.62Å; L163-F165 HydrophobicContact CB-CE2 4.18Å; L163-F165 HydrophobicContact CD1-CE2 4.48Å; F165-M176 CarbonylContact O-C 3.54Å; F165-M176 WeakPolarHBondContact O-CA 3.39Å; F165-V177 HydrophobicContact CB-CG2 4.09Å; F165-V177 WeakPolarHBondContact O-CG2 3.45Å; F165-V177 PolarHBondContact O-N 3.02Å; F165-H178 HydrophobicContact CB-CB 4.15Å; F165-H178 HydrophobicContact CD2-CB 4.35Å; F165-H178 PolarHBondContact N-O 2.81Å; F165-F194 HydrophobicContact CD2-CE2 4.45Å; F165-F194 AromaticContact CE2-CE2 3.78Å; F165-F194 HydrophobicContact CE2-CE2 3.78Å; F165-F194 AromaticContact CE2-CZ 3.58Å; F165-F194 HydrophobicContact CE2-CZ 3.58Å; F165-F194 AromaticContact CZ-CE2 3.97Å; F165-F194 HydrophobicContact CZ-CE2 3.97Å; F165-F194 AromaticContact CZ-CZ 3.67Å; F165-F194 HydrophobicContact CZ-CZ 3.67Å; F165-I196 HydrophobicContact CB-CD1 4.07Å; F165-I196 HydrophobicContact CD1-CD1 3.93Å; F165-I196 HydrophobicContact CD2-CD1 3.98Å; F165-I196 HydrophobicContact CE1-CD1 4.39Å; F165-I196 HydrophobicContact CE2-CD1 4.45Å; F165-I196 HydrophobicContact CG-CD1 3.71Å; F165-L201 HydrophobicContact CB-CD1 4.25Å; F165-L201 HydrophobicContact CD1-CD1 4.04Å; F165-I210 HydrophobicContact CD1-CG2 4.26Å; F165-V212 HydrophobicContact CD1-CG2 3.71Å; F165-V212 HydrophobicContact CE1-CG1 4.48Å; F165-V212 HydrophobicContact CE1-CG2 3.64Å; F165-V212 HydrophobicContact CE2-CG1 4.48Å; F165-V212 HydrophobicContact CG-CG2 4.41Å; F165-V212 HydrophobicContact CZ-CG1 4.32Å; F165-V212 HydrophobicContact CZ-CG2 4.27Å
166H97.6Very high93.3Very high15 Ų1555.5 Ų55.57%0.06930%0.299CS..EExtended strand (participates in β ladder)trans-129.3136-177.7-62.584.7000110.9E164 W174 L175 M176 K211 E213E164-H166 VanDerWaalsContact CB-CE1 3.45Å; E164-H166 WeakPolarHBondContact CB-CE1 3.25Å; E164-H166 PolarHBondContact O-ND1 3.45Å; E164-H166 IonicContact OE2-CE1 3.43Å; E164-H166 PolarHBondContact OE2-CE1 3.46Å; E164-H166 IonicContact OE2-NE2 2.72Å; H166-W174 HydrophobicContact CB-CB 4.34Å; H166-W174 HydrophobicContact CB-CE3 3.88Å; H166-L175 CarbonylContact C-O 3.52Å; H166-L175 VanDerWaalsContact CA-O 3.22Å; H166-L175 WeakPolarHBondContact CA-O 3.48Å; H166-M176 VanDerWaalsContact CD2-CA 3.49Å; H166-M176 WeakPolarHBondContact CD2-CA 3.46Å; H166-M176 PolarHBondContact CD2-N 3.45Å; H166-K211 HydrophobicContact CB-CB 4.17Å; H166-K211 PolarHBondContact N-O 3.11Å; H166-K211 PolarHBondContact O-N 3.35Å; H166-E213 IonicContact CE1-OE2 2.92Å; H166-E213 PolarHBondContact CE1-OE2 2.87Å
167K94.5Very high93.8Very high28 Ų2847.5 Ų47.512%0.12227%0.267CS..EExtended strand (participates in β ladder)trans-99150.3167.470.3167.7162.2-159.30110.8W174 L175 V177 S200 L201 Y203K167-W174 WeakPolarHBondContact O-CA 3.38Å; K167-L175 HydrophobicContact CG-CB 4.17Å; K167-L175 PolarHBondContact N-O 2.98Å; K167-L175 PolarHBondContact O-N 3.12Å; K167-V177 HydrophobicContact CB-CG1 4.37Å; K167-V177 HydrophobicContact CD-CG1 4.1Å; K167-V177 HydrophobicContact CG-CG1 3.77Å; K167-S200 VanDerWaalsContact CD-O 3.27Å; K167-S200 WeakPolarHBondContact CD-O 3.22Å; K167-S200 PolarHBondContact NZ-O 3.1Å; K167-L201 WeakPolarHBondContact CB-O 3.43Å; K167-Y203 HydrophobicContact CD-CE1 4.32Å; K167-Y203 HydrophobicContact CD-CE2 3.78Å
168Q93.5Very high94.2Very high84 Ų8447.7 Ų47.739%0.39326%0.257SS..EExtended strand (participates in β ladder)trans-87123.9171.6-162.8173.42800110.4G172 N173 W174 Y203Q168-G172 PolarHBondContact NE2-O 3.05Å; Q168-N173 CarbonylContact C-O 3.28Å; Q168-N173 WeakPolarHBondContact CA-O 3.29Å; Q168-W174 HydrophobicContact CB-CE3 4.06Å; Q168-W174 HydrophobicContact CB-CH2 3.91Å; Q168-W174 HydrophobicContact CB-CZ2 4.42Å; Q168-W174 HydrophobicContact CB-CZ3 3.71Å; Q168-W174 HydrophobicContact CG-CH2 4.42Å; Q168-W174 HydrophobicContact CG-CZ2 4.45Å; Q168-Y203 WeakPolarHBondContact O-CE2 3.32Å
169T89.3Confident94.3Very high29 Ų2949 Ų4918%0.17826%0.259CS..PPolyproline II helixtrans-80.9166.6176.849.30000111.2D171 G172 N173 L175T169-D171 WeakPolarHBondContact CB-OD1 3.47Å; T169-D171 PolarHBondContact O-N 3.02Å; T169-D171 PolarHBondContact OG1-OD1 2.62Å; T169-G172 WeakPolarHBondContact O-CA 3.14Å; T169-G172 PolarHBondContact O-N 2.98Å; T169-N173 PolarHBondContact N-O 3.49Å; T169-N173 WeakPolarHBondContact OG1-CA 3.41Å; T169-N173 WeakPolarHBondContact OG1-CB 3.18Å; T169-N173 PolarHBondContact OG1-N 3.34Å; T169-N173 PolarHBondContact OG1-O 3.09Å; T169-L175 HydrophobicContact CG2-CB 3.96Å; T169-L175 HydrophobicContact CG2-CD2 4.39Å
170S85Confident94.5Very high132 Ų13249.5 Ų49.592%0.92326%0.262SS*.THydrogen-bonded Turntrans-64-24.9-175.751.60000114.3G172S170-G172 VanDerWaalsContact C-N 3.26Å
171D89.8Confident94.5Very high108 Ų10851.3 Ų51.358%0.57827%0.27SS*.THydrogen-bonded Turntrans-843172.662.3-17.7000113T169 N173T169-D171 WeakPolarHBondContact CB-OD1 3.47Å; T169-D171 PolarHBondContact O-N 3.02Å; T169-D171 PolarHBondContact OG1-OD1 2.62Å; D171-N173 PolarHBondContact OD2-ND2 2.82Å
172G88.3Confident94.5Very high35 Ų3553.8 Ų53.836%0.36129%0.285SS..SBendtrans87-2.1175.900000115.1Q168 T169 S170Q168-G172 PolarHBondContact NE2-O 3.05Å; T169-G172 WeakPolarHBondContact O-CA 3.14Å; T169-G172 PolarHBondContact O-N 2.98Å; S170-G172 VanDerWaalsContact C-N 3.26Å
173N93Very high94.4Very high98 Ų9854.9 Ų54.952%0.52429%0.292SS..  trans-73.4162177.5-71.5-44.3000112.3Q168 T169 D171Q168-N173 CarbonylContact C-O 3.28Å; Q168-N173 WeakPolarHBondContact CA-O 3.29Å; T169-N173 PolarHBondContact N-O 3.49Å; T169-N173 WeakPolarHBondContact OG1-CA 3.41Å; T169-N173 WeakPolarHBondContact OG1-CB 3.18Å; T169-N173 PolarHBondContact OG1-N 3.34Å; T169-N173 PolarHBondContact OG1-O 3.09Å; D171-N173 PolarHBondContact OD2-ND2 2.82Å
174W95.4Very high94.2Very high79 Ų7962.2 Ų62.230%0.29932%0.324SS..EExtended strand (participates in β ladder)trans-104.1124.9174.9-69.2101.8000110.1H166 K167 Q168 T209 K211H166-W174 HydrophobicContact CB-CB 4.34Å; H166-W174 HydrophobicContact CB-CE3 3.88Å; K167-W174 WeakPolarHBondContact O-CA 3.38Å; Q168-W174 HydrophobicContact CB-CE3 4.06Å; Q168-W174 HydrophobicContact CB-CH2 3.91Å; Q168-W174 HydrophobicContact CB-CZ2 4.42Å; Q168-W174 HydrophobicContact CB-CZ3 3.71Å; Q168-W174 HydrophobicContact CG-CH2 4.42Å; Q168-W174 HydrophobicContact CG-CZ2 4.45Å; W174-T209 HydrophobicContact CH2-CG2 3.92Å; W174-K211 HydrophobicContact CD2-CB 4.12Å; W174-K211 HydrophobicContact CD2-CD 4.03Å; W174-K211 HydrophobicContact CE3-CB 3.66Å; W174-K211 HydrophobicContact CE3-CD 4.41Å; W174-K211 HydrophobicContact CG-CD 4.34Å; W174-K211 HydrophobicContact CH2-CB 3.68Å; W174-K211 HydrophobicContact CZ2-CB 4.12Å; W174-K211 HydrophobicContact CZ2-CD 4.41Å; W174-K211 HydrophobicContact CZ3-CB 3.42Å; W174-K211 VanDerWaalsContact CZ3-CB 3.42Å
175L93.5Very high94Very high87 Ų8766 Ų6646%0.45534%0.344SS..EExtended strand (participates in β ladder)trans-111.6123.6177179.361.4000109.7H166 K167 T169H166-L175 CarbonylContact C-O 3.52Å; H166-L175 VanDerWaalsContact CA-O 3.22Å; H166-L175 WeakPolarHBondContact CA-O 3.48Å; K167-L175 HydrophobicContact CG-CB 4.17Å; K167-L175 PolarHBondContact N-O 2.98Å; K167-L175 PolarHBondContact O-N 3.12Å; T169-L175 HydrophobicContact CG2-CB 3.96Å; T169-L175 HydrophobicContact CG2-CD2 4.39Å
176M95.5Very high93.9Very high85 Ų8568.3 Ų68.342%0.41936%0.356SS..EExtended strand (participates in β ladder)trans-68.2128.3174.2-174.3-1706800109.6E164 F165 H166 R179E164-M176 HydrophobicContact CB-CG 4.49Å; E164-M176 HydrophobicContact CG-SD 4.22Å; F165-M176 CarbonylContact O-C 3.54Å; F165-M176 WeakPolarHBondContact O-CA 3.39Å; H166-M176 VanDerWaalsContact CD2-CA 3.49Å; H166-M176 WeakPolarHBondContact CD2-CA 3.46Å; H166-M176 PolarHBondContact CD2-N 3.45Å; M176-R179 HydrophobicContact SD-CB 4.41Å
177V93.6Very high93.9Very high38 Ų3869.2 Ų69.223%0.2336%0.362CS..EExtended strand (participates in β ladder)trans-120.1-16.1-176.9-63.50000113.2F165 K167 S200 L201F165-V177 HydrophobicContact CB-CG2 4.09Å; F165-V177 WeakPolarHBondContact O-CG2 3.45Å; F165-V177 PolarHBondContact O-N 3.02Å; K167-V177 HydrophobicContact CB-CG1 4.37Å; K167-V177 HydrophobicContact CD-CG1 4.1Å; K167-V177 HydrophobicContact CG-CG1 3.77Å; V177-S200 WeakPolarHBondContact CG1-O 2.96Å; V177-L201 HydrophobicContact CG2-CD1 4.19Å
178H96.1Very high94.1Very high44 Ų4471.8 Ų71.820%0.20438%0.377CS..EExtended strand (participates in β ladder)trans-158.1148.1175.7-171.676.4000111.1E164 F165 F194 I196E164-H178 WeakPolarHBondContact CA-O 3.4Å; F165-H178 HydrophobicContact CB-CB 4.15Å; F165-H178 HydrophobicContact CD2-CB 4.35Å; F165-H178 PolarHBondContact N-O 2.81Å; H178-F194 AromaticContact CD2-CD2 3.59Å; H178-F194 AromaticContact CD2-CE2 3.78Å; H178-F194 AromaticContact CE1-CD2 3.98Å; H178-F194 AromaticContact NE2-CD2 3.23Å; H178-F194 WeakPolarHBondContact NE2-CD2 3.35Å; H178-F194 AromaticContact NE2-CE2 3.89Å; H178-F194 AromaticContact NE2-CG 3.55Å; H178-I196 HydrophobicContact CB-CD1 3.48Å; H178-I196 VanDerWaalsContact CB-CD1 3.48Å; H178-I196 HydrophobicContact CB-CG1 3.82Å; H178-I196 HydrophobicContact CB-CG2 4.5Å
179R96.9Very high94.3Very high124 Ų12467.8 Ų67.847%0.46836%0.358SS..EExtended strand (participates in β ladder)trans-134.9133.7171.7-175.5-173.9-71.7172.8-4.4109Y162 L163 E164 M176Y162-R179 HydrophobicContact CD2-CG 3.69Å; Y162-R179 HydrophobicContact CE2-CG 4.05Å; L163-R179 VanDerWaalsContact O-CA 3.3Å; L163-R179 WeakPolarHBondContact O-CA 3.49Å; E164-R179 HydrophobicContact CG-CG 4.15Å; E164-R179 IonicContact OE1-CZ 2.94Å; E164-R179 IonicContact OE1-NE 2.7Å; E164-R179 PolarHBondContact OE1-NE 3.02Å; E164-R179 IonicContact OE1-NH2 3.1Å; E164-R179 PolarHBondContact OE1-NH2 2.97Å; M176-R179 HydrophobicContact SD-CB 4.41Å
180T97.4Very high94.7Very high11 Ų1170.7 Ų70.77%0.06738%0.376CS..  trans-79.9174176.465.40000111.7L163 F194L163-T180 HydrophobicContact CB-CG2 3.95Å; L163-T180 PolarHBondContact N-OG1 2.79Å; L163-T180 PolarHBondContact O-N 2.92Å; T180-F194 HydrophobicContact CG2-CD1 3.99Å; T180-F194 HydrophobicContact CG2-CE1 3.72Å; T180-F194 HydrophobicContact CG2-CZ 4.08Å
181E95.7Very high95.3Very high65 Ų6564.7 Ų64.730%0.30433%0.333SS..  trans-66.6158.4166.979.9-76.1-170.200112.4W191 R192E181-W191 VanDerWaalsContact O-CD1 3.29Å; E181-W191 PolarHBondContact O-NE1 3.39Å; E181-W191 VanDerWaalsContact OE1-CA 3.3Å; E181-W191 WeakPolarHBondContact OE1-CA 3.38Å; E181-R192 WeakPolarHBondContact OE1-CG 3.11Å; E181-R192 PolarHBondContact OE1-N 3.49Å
182V96.6Very high95.6Very high51 Ų5168.7 Ų68.731%0.30934%0.34SS..  trans-83125.5172.4176.70000109.5D160 Y162 K184 Y217D160-V182 HydrophobicContact CB-CG1 3.81Å; Y162-V182 HydrophobicContact CD1-CG2 4.03Å; Y162-V182 HydrophobicContact CG-CG2 4.3Å; V182-K184 HydrophobicContact CG1-CG 4.48Å; V182-Y217 HydrophobicContact CG1-CD1 4.41Å; V182-Y217 HydrophobicContact CG1-CG 4.09Å; V182-Y217 HydrophobicContact CG2-CD2 3.98Å; V182-Y217 HydrophobicContact CG2-CG 3.99Å
183V96.1Very high96Very high27 Ų2771 Ų7116%0.16435%0.348CS..  trans-103.2106175.8-178.20000109.2D160 P161 N186 P189 W191D160-V183 CarbonylContact C-O 3.52Å; D160-V183 WeakPolarHBondContact CA-O 3.14Å; P161-V183 WeakPolarHBondContact CD-O 3.42Å; P161-V183 PolarHBondContact O-N 2.97Å; P161-V183 VanDerWaalsContact O-N 3.11Å; V183-N186 HydrophobicContact CG1-CB 3.92Å; V183-P189 HydrophobicContact CB-CB 3.89Å; V183-P189 HydrophobicContact CG1-CB 3.96Å; V183-P189 HydrophobicContact CG2-CB 4.09Å; V183-W191 HydrophobicContact CG2-CG 4.38Å
184K95Very high96.1Very high154 Ų15467.2 Ų67.267%0.6733%0.327SS*.THydrogen-bonded Turntrans-69.8140.9-172-62.5-171.2175.3-170.70114.3D160 V182 N186D160-K184 WeakPolarHBondContact OD1-CA 3.26Å; V182-K184 HydrophobicContact CG1-CG 4.48Å; K184-N186 PolarHBondContact O-N 3.25Å
185N94.1Very high96Very high93 Ų9368.6 Ų68.650%0.49734%0.336SS..THydrogen-bonded Turntrans53.248.6168.8-167.713.3000113.2K158 S159 D160K158-N185 WeakPolarHBondContact CB-OD1 3.38Å; K158-N185 WeakPolarHBondContact CG-OD1 3.41Å; K158-N185 PolarHBondContact N-OD1 3.37Å; K158-N185 WeakPolarHBondContact O-CA 3.35Å; S159-N185 PolarHBondContact O-N 3.42Å; D160-N185 PolarHBondContact OD1-N 3.06Å
186N95.4Very high95.9Very high47 Ų4764.9 Ų64.925%0.25132%0.316SS..  trans-146.1114.9-169.9-164.1-8.9000114S159 P161 V183 K184 N188S159-N186 PolarHBondContact O-N 3.44Å; P161-N186 WeakPolarHBondContact CD-O 3.45Å; P161-N186 WeakPolarHBondContact CG-O 3.33Å; V183-N186 HydrophobicContact CG1-CB 3.92Å; K184-N186 PolarHBondContact O-N 3.25Å; N186-N188 VanDerWaalsContact C-N 3.32Å; N186-N188 PolarHBondContact ND2-O 3.34Å; N186-N188 WeakPolarHBondContact OD1-CA 3.34Å; N186-N188 PolarHBondContact OD1-N 2.95Å; N186-N188 PolarHBondContact OD1-O 3.14Å
187L97.1Very high95.6Very high34 Ų3462.7 Ų62.718%0.17831%0.309CS..SBendtrans-87.2-0.5174.1-54-179.4000113.9R148 K149 L150 N152 K158 P189R148-L187 CarbonylContact C-O 3.57Å; K149-L187 PolarHBondContact N-O 2.67Å; K149-L187 VanDerWaalsContact N-O 3.14Å; L150-L187 HydrophobicContact CB-CB 4.4Å; L150-L187 HydrophobicContact CB-CD2 4.49Å; L150-L187 PolarHBondContact N-O 3.12Å; N152-L187 HydrophobicContact CB-CD1 4.19Å; N152-L187 HydrophobicContact CB-CD2 4.03Å; K158-L187 HydrophobicContact CB-CD2 3.92Å; K158-L187 HydrophobicContact CB-CG 3.94Å; K158-L187 HydrophobicContact CD-CG 4.12Å; K158-L187 HydrophobicContact CG-CD1 4.3Å; K158-L187 HydrophobicContact CG-CD2 4.5Å; K158-L187 HydrophobicContact CG-CG 4.04Å; L187-P189 VanDerWaalsContact C-CD 3.46Å
188N98.3Very high95.5Very high82 Ų8260.9 Ų60.944%0.43930%0.298SS..SBendtrans-133.958.7176.3-45.6-87.5000110A147 R148 K149 N186A147-N188 CarbonylContact O-C 3.58Å; A147-N188 VanDerWaalsContact O-C 3.28Å; A147-N188 WeakPolarHBondContact O-CA 3.47Å; R148-N188 VanDerWaalsContact CA-OD1 3.29Å; R148-N188 WeakPolarHBondContact CA-OD1 3.23Å; K149-N188 PolarHBondContact N-OD1 3.25Å; N186-N188 VanDerWaalsContact C-N 3.32Å; N186-N188 PolarHBondContact ND2-O 3.34Å; N186-N188 WeakPolarHBondContact OD1-CA 3.34Å; N186-N188 PolarHBondContact OD1-N 2.95Å; N186-N188 PolarHBondContact OD1-O 3.14Å
189P97.9Very high95.1Very high0 Ų062.4 Ų62.40%031%0.308CS..  trans-66.9147.3-175.432.4-39.9000111.5E146 A147 L150 P161 V183 L187 W191E146-P189 CarbonylContact C-O 3.51Å; E146-P189 WeakPolarHBondContact CA-O 3.13Å; E146-P189 WeakPolarHBondContact CB-O 3.25Å; A147-P189 HydrophobicContact CB-CG 3.91Å; A147-P189 PolarHBondContact N-O 3.24Å; L150-P189 HydrophobicContact CD1-CG 3.82Å; P161-P189 HydrophobicContact CB-CG 4.23Å; P161-P189 HydrophobicContact CG-CB 3.8Å; P161-P189 HydrophobicContact CG-CG 3.53Å; V183-P189 HydrophobicContact CB-CB 3.89Å; V183-P189 HydrophobicContact CG1-CB 3.96Å; V183-P189 HydrophobicContact CG2-CB 4.09Å; L187-P189 VanDerWaalsContact C-CD 3.46Å; P189-W191 HydrophobicContact CB-CD2 4.46Å; P189-W191 HydrophobicContact CB-CH2 4.33Å; P189-W191 HydrophobicContact CB-CZ2 3.97Å; P189-W191 HydrophobicContact CG-CH2 3.47Å; P189-W191 VanDerWaalsContact CG-CH2 3.47Å; P189-W191 HydrophobicContact CG-CZ2 3.43Å; P189-W191 VanDerWaalsContact CG-CZ2 3.43Å; P189-W191 HydrophobicContact CG-CZ3 4.06Å
190V97.8Very high94.7Very high91 Ų9158.7 Ų58.755%0.55230%0.301SS*.BIsolated β-bridgetrans-117.8115.1162-178.80000105.5E146E146-V190 HydrophobicContact CB-CB 4.42Å; E146-V190 HydrophobicContact CB-CG2 3.92Å
191W97.9Very high94.4Very high5 Ų558.2 Ų58.22%0.01930%0.298CS..PPolyproline II helixtrans-82.5152.4177.1-61.6-83.2000110M145 A147 P161 L163 E181 V183 P189M145-W191 HydrophobicContact CB-CE3 4.2Å; M145-W191 PolarHBondContact O-N 3.22Å; A147-W191 HydrophobicContact CB-CH2 3.63Å; A147-W191 HydrophobicContact CB-CZ3 3.86Å; P161-W191 HydrophobicContact CB-CZ2 4.21Å; P161-W191 PolarHBondContact O-NE1 3.41Å; L163-W191 HydrophobicContact CD1-CD2 4.23Å; L163-W191 HydrophobicContact CD1-CE3 3.84Å; L163-W191 HydrophobicContact CD1-CH2 3.86Å; L163-W191 HydrophobicContact CD1-CZ2 4.25Å; L163-W191 HydrophobicContact CD1-CZ3 3.65Å; L163-W191 HydrophobicContact CD2-CH2 3.72Å; L163-W191 HydrophobicContact CD2-CZ2 3.96Å; L163-W191 HydrophobicContact CD2-CZ3 4.34Å; L163-W191 HydrophobicContact CG-CD2 4.31Å; L163-W191 HydrophobicContact CG-CE3 4.31Å; L163-W191 HydrophobicContact CG-CH2 3.69Å; L163-W191 HydrophobicContact CG-CZ2 3.7Å; L163-W191 HydrophobicContact CG-CZ3 4.02Å; E181-W191 VanDerWaalsContact O-CD1 3.29Å; E181-W191 PolarHBondContact O-NE1 3.39Å; E181-W191 VanDerWaalsContact OE1-CA 3.3Å; E181-W191 WeakPolarHBondContact OE1-CA 3.38Å; V183-W191 HydrophobicContact CG2-CG 4.38Å; P189-W191 HydrophobicContact CB-CD2 4.46Å; P189-W191 HydrophobicContact CB-CH2 4.33Å; P189-W191 HydrophobicContact CB-CZ2 3.97Å; P189-W191 HydrophobicContact CG-CH2 3.47Å; P189-W191 VanDerWaalsContact CG-CH2 3.47Å; P189-W191 HydrophobicContact CG-CZ2 3.43Å; P189-W191 VanDerWaalsContact CG-CZ2 3.43Å; P189-W191 HydrophobicContact CG-CZ3 4.06Å
192R96.6Very high94.2Very high192 Ų19255.2 Ų55.273%0.72528%0.284SS*.PPolyproline II helixtrans-59.5145.6172.9-68.6178.2-174.3-175.82.9109.2E181 F194E181-R192 WeakPolarHBondContact OE1-CG 3.11Å; E181-R192 PolarHBondContact OE1-N 3.49Å; R192-F194 WeakPolarHBondContact O-CD1 3.31Å; R192-F194 PolarHBondContact O-N 3.01Å
193P95.9Very high93.8Very high83 Ų8357.6 Ų57.654%0.53929%0.288SS..PPolyproline II helixtrans-55.6135.6173.6-23.733.1000111.1L142 F143 E144L142-P193 HydrophobicContact CD1-CB 4.35Å; F143-P193 VanDerWaalsContact O-CA 3.29Å; F143-P193 WeakPolarHBondContact O-CA 3.33Å; E144-P193 HydrophobicContact CG-CB 4.23Å; E144-P193 HydrophobicContact CG-CG 4.17Å
194F94.9Very high93.3Very high20 Ų2057.1 Ų57.19%0.08829%0.289CS..EExtended strand (participates in β ladder)trans-136.9163.6-177.563-91.4000111.3F143 M145 F165 H178 T180 R192 I196F143-F194 HydrophobicContact CB-CD1 4.27Å; F143-F194 HydrophobicContact CB-CD2 4.06Å; F143-F194 HydrophobicContact CB-CE1 3.82Å; F143-F194 HydrophobicContact CB-CE2 3.59Å; F143-F194 HydrophobicContact CB-CG 4.38Å; F143-F194 HydrophobicContact CB-CZ 3.45Å; F143-F194 VanDerWaalsContact CB-CZ 3.45Å; F143-F194 HydrophobicContact CD2-CD2 4.02Å; F143-F194 AromaticContact CD2-CE2 3.46Å; F143-F194 HydrophobicContact CD2-CE2 3.46Å; F143-F194 VanDerWaalsContact CD2-CE2 3.46Å; F143-F194 HydrophobicContact CD2-CZ 4.09Å; F143-F194 HydrophobicContact CE2-CE2 4.36Å; F143-F194 HydrophobicContact CG-CD2 4.46Å; F143-F194 AromaticContact CG-CE2 3.75Å; F143-F194 HydrophobicContact CG-CE2 3.75Å; F143-F194 AromaticContact CG-CZ 3.89Å; F143-F194 HydrophobicContact CG-CZ 3.89Å; F143-F194 PolarHBondContact N-O 3.06Å; F143-F194 PolarHBondContact O-N 3.29Å; F143-F194 VanDerWaalsContact O-N 3.16Å; M145-F194 HydrophobicContact CB-CE1 4.47Å; M145-F194 HydrophobicContact CG-CE1 4.39Å; M145-F194 HydrophobicContact CG-CZ 4.41Å; M145-F194 HydrophobicContact SD-CE1 4.2Å; M145-F194 HydrophobicContact SD-CZ 3.72Å; F165-F194 HydrophobicContact CD2-CE2 4.45Å; F165-F194 AromaticContact CE2-CE2 3.78Å; F165-F194 HydrophobicContact CE2-CE2 3.78Å; F165-F194 AromaticContact CE2-CZ 3.58Å; F165-F194 HydrophobicContact CE2-CZ 3.58Å; F165-F194 AromaticContact CZ-CE2 3.97Å; F165-F194 HydrophobicContact CZ-CE2 3.97Å; F165-F194 AromaticContact CZ-CZ 3.67Å; F165-F194 HydrophobicContact CZ-CZ 3.67Å; H178-F194 AromaticContact CD2-CD2 3.59Å; H178-F194 AromaticContact CD2-CE2 3.78Å; H178-F194 AromaticContact CE1-CD2 3.98Å; H178-F194 AromaticContact NE2-CD2 3.23Å; H178-F194 WeakPolarHBondContact NE2-CD2 3.35Å; H178-F194 AromaticContact NE2-CE2 3.89Å; H178-F194 AromaticContact NE2-CG 3.55Å; T180-F194 HydrophobicContact CG2-CD1 3.99Å; T180-F194 HydrophobicContact CG2-CE1 3.72Å; T180-F194 HydrophobicContact CG2-CZ 4.08Å; R192-F194 WeakPolarHBondContact O-CD1 3.31Å; R192-F194 PolarHBondContact O-N 3.01Å; F194-I196 HydrophobicContact CD2-CD1 4.29Å; F194-I196 HydrophobicContact CD2-CG1 4.04Å; F194-I196 HydrophobicContact CE2-CD1 3.86Å; F194-I196 HydrophobicContact CE2-CG1 4.09Å
195K92.8Very high93.1Very high108 Ų10853.1 Ų53.147%0.4728%0.275SS..EExtended strand (participates in β ladder)trans-124142-179.1-64.9177.7-178.4175.30111V140 V141 L142 E277V140-K195 HydrophobicContact CG2-CD 4.29Å; V141-K195 VanDerWaalsContact O-CA 3.26Å; V141-K195 WeakPolarHBondContact O-CA 3.43Å; L142-K195 HydrophobicContact CB-CG 4.49Å; L142-K195 HydrophobicContact CD1-CG 3.94Å; K195-E277 VanDerWaalsContact CD-OE1 3.26Å; K195-E277 WeakPolarHBondContact CD-OE1 3.35Å; K195-E277 WeakPolarHBondContact CE-OE1 3.41Å; K195-E277 IonicContact NZ-OE1 2.6Å; K195-E277 PolarHBondContact NZ-OE1 3.38Å
196I92.3Very high93.1Very high8 Ų850.7 Ų50.74%0.04126%0.261CS..EExtended strand (participates in β ladder)trans-129.9134.9171.4-48.4178.8000108.6V141 F143 F165 H178 F194 L198 L201V141-I196 PolarHBondContact N-O 3.27Å; V141-I196 PolarHBondContact O-N 3.27Å; F143-I196 HydrophobicContact CD2-CD1 4.28Å; F143-I196 HydrophobicContact CD2-CG1 4.28Å; F143-I196 HydrophobicContact CE2-CB 4.37Å; F143-I196 HydrophobicContact CE2-CD1 3.95Å; F143-I196 HydrophobicContact CE2-CG1 4.14Å; F165-I196 HydrophobicContact CB-CD1 4.07Å; F165-I196 HydrophobicContact CD1-CD1 3.93Å; F165-I196 HydrophobicContact CD2-CD1 3.98Å; F165-I196 HydrophobicContact CE1-CD1 4.39Å; F165-I196 HydrophobicContact CE2-CD1 4.45Å; F165-I196 HydrophobicContact CG-CD1 3.71Å; H178-I196 HydrophobicContact CB-CD1 3.48Å; H178-I196 VanDerWaalsContact CB-CD1 3.48Å; H178-I196 HydrophobicContact CB-CG1 3.82Å; H178-I196 HydrophobicContact CB-CG2 4.5Å; F194-I196 HydrophobicContact CD2-CD1 4.29Å; F194-I196 HydrophobicContact CD2-CG1 4.04Å; F194-I196 HydrophobicContact CE2-CD1 3.86Å; F194-I196 HydrophobicContact CE2-CG1 4.09Å; I196-L198 PolarHBondContact O-N 2.75Å; I196-L201 HydrophobicContact CD1-CD1 4.21Å; I196-L201 HydrophobicContact CG2-CB 3.93Å; I196-L201 HydrophobicContact CG2-CD1 4.35Å
197S89.3Confident93.1Very high40 Ų4053.5 Ų53.528%0.2828%0.276SS..EExtended strand (participates in β ladder)trans-57.2131.9170.5160.80000110.4N199 S200 L201S197-N199 VanDerWaalsContact C-N 3.28Å; S197-N199 PolarHBondContact O-N 3.41Å; S197-N199 PolarHBondContact OG-N 2.81Å; S197-S200 WeakPolarHBondContact O-CB 3.46Å; S197-S200 PolarHBondContact O-N 3.35Å; S197-S200 PolarHBondContact OG-N 2.79Å; S197-L201 WeakPolarHBondContact O-CB 3.38Å; S197-L201 PolarHBondContact O-N 3.09Å
198L90.9Very high93Very high0 Ų057 Ų570%029%0.29CS..Hα-helixtrans-61.3-39.9179.4-172.771.2000111.4R139 V141 I196 L201 C202 G204 M206 M233 I274R139-L198 HydrophobicContact CB-CB 4.03Å; R139-L198 HydrophobicContact CB-CD2 3.95Å; R139-L198 WeakPolarHBondContact O-CB 3.41Å; R139-L198 PolarHBondContact O-N 2.93Å; V141-L198 HydrophobicContact CG2-CB 4.2Å; V141-L198 HydrophobicContact CG2-CD1 3.58Å; I196-L198 PolarHBondContact O-N 2.75Å; L198-L201 PolarHBondContact O-N 3Å; L198-C202 PolarHBondContact O-N 2.98Å; L198-C202 PolarHBondContact O-SG 2.84Å; L198-C202 VanDerWaalsContact O-SG 3.34Å; L198-G204 PolarHBondContact O-N 2.9Å; L198-M206 HydrophobicContact CD1-SD 4.16Å; L198-M206 HydrophobicContact CD2-SD 4.31Å; L198-M233 HydrophobicContact CD1-CE 4.22Å; L198-M233 HydrophobicContact CD1-CG 3.84Å; L198-M233 HydrophobicContact CD1-SD 4.39Å; L198-I274 HydrophobicContact CD1-CD1 3.79Å; L198-I274 HydrophobicContact CD2-CD1 4.08Å
199N88Confident92.9Very high75 Ų7555.5 Ų55.540%0.40128%0.283SS..Hα-helixtrans-63.3-40.5173.4-175.152.5000112.4D137 S197 L201 Y203D137-N199 HydrophobicContact CB-CB 4.24Å; S197-N199 VanDerWaalsContact C-N 3.28Å; S197-N199 PolarHBondContact O-N 3.41Å; S197-N199 PolarHBondContact OG-N 2.81Å; N199-L201 VanDerWaalsContact C-N 3.31Å; N199-L201 PolarHBondContact O-N 3.11Å; N199-Y203 VanDerWaalsContact O-CA 3.25Å; N199-Y203 WeakPolarHBondContact O-CA 3.49Å; N199-Y203 PolarHBondContact O-N 2.91Å; N199-Y203 WeakPolarHBondContact OD1-CA 3.3Å
200S88.4Confident92.9Very high47 Ų4755.5 Ų55.533%0.32928%0.283SS..Hα-helixtrans-66.4-36.1176.2-64.10000112K167 V177 S197K167-S200 VanDerWaalsContact CD-O 3.27Å; K167-S200 WeakPolarHBondContact CD-O 3.22Å; K167-S200 PolarHBondContact NZ-O 3.1Å; V177-S200 WeakPolarHBondContact CG1-O 2.96Å; S197-S200 WeakPolarHBondContact O-CB 3.46Å; S197-S200 PolarHBondContact O-N 3.35Å; S197-S200 PolarHBondContact OG-N 2.79Å
201L92.3Very high92.9Very high0 Ų052.3 Ų52.30%026%0.262CS..Hα-helixtrans-78.5-41-176.4-171.458000113.1V141 F143 F165 K167 V177 I196 S197 L198 N199 I210 M233V141-L201 HydrophobicContact CG2-CD2 4.32Å; F143-L201 HydrophobicContact CE2-CD2 3.96Å; F143-L201 HydrophobicContact CZ-CD2 3.79Å; F165-L201 HydrophobicContact CB-CD1 4.25Å; F165-L201 HydrophobicContact CD1-CD1 4.04Å; K167-L201 WeakPolarHBondContact CB-O 3.43Å; V177-L201 HydrophobicContact CG2-CD1 4.19Å; I196-L201 HydrophobicContact CD1-CD1 4.21Å; I196-L201 HydrophobicContact CG2-CB 3.93Å; I196-L201 HydrophobicContact CG2-CD1 4.35Å; S197-L201 WeakPolarHBondContact O-CB 3.38Å; S197-L201 PolarHBondContact O-N 3.09Å; L198-L201 PolarHBondContact O-N 3Å; N199-L201 VanDerWaalsContact C-N 3.31Å; N199-L201 PolarHBondContact O-N 3.11Å; L201-I210 HydrophobicContact CD1-CD1 4.13Å; L201-I210 HydrophobicContact CD1-CG1 4.22Å; L201-I210 HydrophobicContact CD1-CG2 3.85Å; L201-I210 HydrophobicContact CD2-CD1 3.98Å; L201-I210 HydrophobicContact CG-CD1 3.66Å; L201-I210 HydrophobicContact CG-CG1 4.12Å; L201-M233 HydrophobicContact CD2-CG 4.37Å; L201-M233 HydrophobicContact CD2-SD 3.44Å; L201-M233 WeakPolarHBondContact CD2-SD 3.45Å; L201-M233 HydrophobicContact CG-SD 4.4Å
202C91.6Very high92.9Very high2 Ų252.1 Ų52.11%0.01426%0.262CS..Hα-helixtrans-150.321.3-171.468.60000114.7L198 G204 D205 K208 I210 M233L198-C202 PolarHBondContact O-N 2.98Å; L198-C202 PolarHBondContact O-SG 2.84Å; L198-C202 VanDerWaalsContact O-SG 3.34Å; C202-G204 PolarHBondContact O-N 2.89Å; C202-G204 VanDerWaalsContact O-N 3.15Å; C202-D205 VanDerWaalsContact CB-O 3.31Å; C202-D205 WeakPolarHBondContact CB-O 3.01Å; C202-D205 PolarHBondContact O-N 3.28Å; C202-D205 PolarHBondContact SG-O 3.22Å; C202-K208 HydrophobicContact CB-CB 4.13Å; C202-I210 HydrophobicContact CB-CD1 4.3Å; C202-I210 HydrophobicContact CB-CG1 4.37Å; C202-M233 HydrophobicContact CB-CG 4.3Å; C202-M233 VanDerWaalsContact SG-CG 3.57Å
203Y87.3Confident93Very high101 Ų10144 Ų4440%0.39623%0.232SC..THydrogen-bonded Turntrans5822.7-176-56.4-81.2000114.3K167 Q168 N199 D205K167-Y203 HydrophobicContact CD-CE1 4.32Å; K167-Y203 HydrophobicContact CD-CE2 3.78Å; Q168-Y203 WeakPolarHBondContact O-CE2 3.32Å; N199-Y203 VanDerWaalsContact O-CA 3.25Å; N199-Y203 WeakPolarHBondContact O-CA 3.49Å; N199-Y203 PolarHBondContact O-N 2.91Å; N199-Y203 WeakPolarHBondContact OD1-CA 3.3Å; Y203-D205 PolarHBondContact O-N 2.7Å
204G86.5Confident93.1Very high17 Ų1740.1 Ų40.118%0.17521%0.206CC..THydrogen-bonded Turntrans76.7-4.2-174.800000114.2L198 C202L198-G204 PolarHBondContact O-N 2.9Å; C202-G204 PolarHBondContact O-N 2.89Å; C202-G204 VanDerWaalsContact O-N 3.15Å
205D90.7Very high93.2Very high70 Ų7041.3 Ų41.337%0.37421%0.211SC..  trans-90.1116177.8-179.9-11.8000109.3C202 Y203 D207 K208C202-D205 VanDerWaalsContact CB-O 3.31Å; C202-D205 WeakPolarHBondContact CB-O 3.01Å; C202-D205 PolarHBondContact O-N 3.28Å; C202-D205 PolarHBondContact SG-O 3.22Å; Y203-D205 PolarHBondContact O-N 2.7Å; D205-D207 PolarHBondContact O-N 2.96Å; D205-D207 PolarHBondContact OD1-N 3.4Å; D205-K208 HydrophobicContact CB-CB 4.47Å; D205-K208 HydrophobicContact CB-CG 3.66Å; D205-K208 PolarHBondContact O-N 2.61Å; D205-K208 WeakPolarHBondContact OD2-CE 3.28Å; D205-K208 WeakPolarHBondContact OD2-CG 3.19Å
206M93.8Very high93.3Very high43 Ų4336.1 Ų36.121%0.21219%0.188CC..THydrogen-bonded Turntrans-67.8-20.8-171-64.9-59.9-63.600113.3L198 T232 M233 T234 K237 I274L198-M206 HydrophobicContact CD1-SD 4.16Å; L198-M206 HydrophobicContact CD2-SD 4.31Å; M206-T232 WeakPolarHBondContact O-CB 3.49Å; M206-M233 HydrophobicContact CE-CB 3.49Å; M206-M233 VanDerWaalsContact CE-CB 3.49Å; M206-M233 WeakPolarHBondContact O-CB 3.23Å; M206-M233 PolarHBondContact O-N 3.2Å; M206-M233 HydrophobicContact SD-CB 3.9Å; M206-T234 WeakPolarHBondContact CB-OG1 3.48Å; M206-T234 PolarHBondContact O-N 3.49Å; M206-T234 PolarHBondContact O-OG1 3.49Å; M206-K237 HydrophobicContact CE-CD 3.29Å; M206-K237 HydrophobicContact CE-CG 4.16Å; M206-I274 HydrophobicContact CE-CD1 3.83Å; M206-I274 HydrophobicContact SD-CD1 3.91Å
207D95.2Very high93.3Very high106 Ų10639.4 Ų39.457%0.56720%0.201SC*.THydrogen-bonded Turntrans-104.4-2.3-173.4-62-44.4000113D205 T232 T234D205-D207 PolarHBondContact O-N 2.96Å; D205-D207 PolarHBondContact OD1-N 3.4Å; D207-T232 WeakPolarHBondContact O-CG2 3.24Å; D207-T234 WeakPolarHBondContact OD1-CB 3.3Å; D207-T234 PolarHBondContact OD1-OG1 3.31Å
208K94.3Very high93.1Very high107 Ų10739 Ų3947%0.46520%0.195SC..SBendtrans-64.3138171-74.2-72.4179.9-179.50111.1C202 D205 I210C202-K208 HydrophobicContact CB-CB 4.13Å; D205-K208 HydrophobicContact CB-CB 4.47Å; D205-K208 HydrophobicContact CB-CG 3.66Å; D205-K208 PolarHBondContact O-N 2.61Å; D205-K208 WeakPolarHBondContact OD2-CE 3.28Å; D205-K208 WeakPolarHBondContact OD2-CG 3.19Å; K208-I210 PolarHBondContact O-N 3.12Å
209T96.1Very high92.6Very high50 Ų5045.9 Ų45.931%0.30723%0.232SC..  trans-66.9130.8178.6-49.20000111.4W174 Q230 T231W174-T209 HydrophobicContact CH2-CG2 3.92Å; T209-Q230 HydrophobicContact CG2-CB 3.94Å; T209-Q230 HydrophobicContact CG2-CG 4.26Å; T209-T231 WeakPolarHBondContact CA-O 3.43Å
210I97.8Very high92.1Very high0 Ų048.3 Ų48.30%025%0.245CC..EExtended strand (participates in β ladder)trans-112.5131.6172.1-62.9160.3000107.2F165 L201 C202 K208 V212 Q230 T231 M233 L236F165-I210 HydrophobicContact CD1-CG2 4.26Å; L201-I210 HydrophobicContact CD1-CD1 4.13Å; L201-I210 HydrophobicContact CD1-CG1 4.22Å; L201-I210 HydrophobicContact CD1-CG2 3.85Å; L201-I210 HydrophobicContact CD2-CD1 3.98Å; L201-I210 HydrophobicContact CG-CD1 3.66Å; L201-I210 HydrophobicContact CG-CG1 4.12Å; C202-I210 HydrophobicContact CB-CD1 4.3Å; C202-I210 HydrophobicContact CB-CG1 4.37Å; K208-I210 PolarHBondContact O-N 3.12Å; I210-V212 HydrophobicContact CG2-CG2 4.23Å; I210-Q230 CarbonylContact O-C 3.05Å; I210-Q230 VanDerWaalsContact O-CA 3.27Å; I210-Q230 WeakPolarHBondContact O-CA 3.43Å; I210-T231 HydrophobicContact CB-CG2 4.21Å; I210-T231 PolarHBondContact N-O 2.73Å; I210-T231 PolarHBondContact O-N 3.43Å; I210-M233 HydrophobicContact CD1-CG 3.7Å; I210-M233 HydrophobicContact CD1-SD 3.85Å; I210-L236 HydrophobicContact CD1-CD1 3.97Å
211K98.2Very high91.5Very high25 Ų2548.4 Ų48.411%0.10925%0.254CS..EExtended strand (participates in β ladder)trans-104.7132.8173179.3-174.965.4156.60109.1H166 W174 E213 Q230H166-K211 HydrophobicContact CB-CB 4.17Å; H166-K211 PolarHBondContact N-O 3.11Å; H166-K211 PolarHBondContact O-N 3.35Å; W174-K211 HydrophobicContact CD2-CB 4.12Å; W174-K211 HydrophobicContact CD2-CD 4.03Å; W174-K211 HydrophobicContact CE3-CB 3.66Å; W174-K211 HydrophobicContact CE3-CD 4.41Å; W174-K211 HydrophobicContact CG-CD 4.34Å; W174-K211 HydrophobicContact CH2-CB 3.68Å; W174-K211 HydrophobicContact CZ2-CB 4.12Å; W174-K211 HydrophobicContact CZ2-CD 4.41Å; W174-K211 HydrophobicContact CZ3-CB 3.42Å; W174-K211 VanDerWaalsContact CZ3-CB 3.42Å; K211-E213 HydrophobicContact CD-CG 4.3Å; K211-E213 WeakPolarHBondContact CD-OE1 3.5Å; K211-E213 VanDerWaalsContact CE-OE1 3.23Å; K211-E213 WeakPolarHBondContact CE-OE1 3.21Å; K211-E213 HydrophobicContact CG-CG 4.27Å; K211-E213 IonicContact NZ-OE1 3.75Å; K211-E213 PolarHBondContact NZ-OE1 2.84Å; K211-Q230 HydrophobicContact CB-CG 4.19Å; K211-Q230 HydrophobicContact CG-CG 4.28Å
212V98.3Very high91.1Very high1 Ų151.9 Ų51.91%0.00628%0.278CS..EExtended strand (participates in β ladder)trans-118.4131.6173.9-174.70000108.2L163 E164 F165 I210 T228 F229L163-V212 HydrophobicContact CB-CG1 4.46Å; L163-V212 HydrophobicContact CD2-CG1 4.36Å; E164-V212 WeakPolarHBondContact O-CA 3.44Å; F165-V212 HydrophobicContact CD1-CG2 3.71Å; F165-V212 HydrophobicContact CE1-CG1 4.48Å; F165-V212 HydrophobicContact CE1-CG2 3.64Å; F165-V212 HydrophobicContact CE2-CG1 4.48Å; F165-V212 HydrophobicContact CG-CG2 4.41Å; F165-V212 HydrophobicContact CZ-CG1 4.32Å; F165-V212 HydrophobicContact CZ-CG2 4.27Å; I210-V212 HydrophobicContact CG2-CG2 4.23Å; V212-T228 VanDerWaalsContact O-CA 3.3Å; V212-T228 WeakPolarHBondContact O-CA 3.21Å; V212-T228 PolarHBondContact O-OG1 3.32Å; V212-T228 VanDerWaalsContact O-OG1 3.05Å; V212-F229 HydrophobicContact CB-CD1 4Å; V212-F229 HydrophobicContact CB-CD2 4.44Å; V212-F229 HydrophobicContact CB-CE1 3.47Å; V212-F229 VanDerWaalsContact CB-CE1 3.47Å; V212-F229 HydrophobicContact CB-CE2 3.96Å; V212-F229 HydrophobicContact CB-CG 4.47Å; V212-F229 HydrophobicContact CB-CZ 3.46Å; V212-F229 VanDerWaalsContact CB-CZ 3.46Å; V212-F229 HydrophobicContact CG1-CD1 4.43Å; V212-F229 HydrophobicContact CG1-CE1 3.59Å; V212-F229 HydrophobicContact CG1-CZ 3.79Å; V212-F229 HydrophobicContact CG2-CE1 4.17Å; V212-F229 HydrophobicContact CG2-CE2 3.85Å; V212-F229 HydrophobicContact CG2-CZ 3.61Å; V212-F229 PolarHBondContact N-O 2.85Å; V212-F229 PolarHBondContact O-N 3.28Å
213E98.4Very high90.9Very high22 Ų2254.1 Ų54.110%0.10329%0.288CS..EExtended strand (participates in β ladder)trans-119137.3177.6-63.7-177.2167.300108.9L163 E164 H166 K211 Y215 L225L163-E213 CarbonylContact C-O 3.39Å; L163-E213 WeakPolarHBondContact CA-O 3.38Å; E164-E213 PolarHBondContact N-O 3.2Å; E164-E213 PolarHBondContact O-N 3.4Å; H166-E213 IonicContact CE1-OE2 2.92Å; H166-E213 PolarHBondContact CE1-OE2 2.87Å; K211-E213 HydrophobicContact CD-CG 4.3Å; K211-E213 WeakPolarHBondContact CD-OE1 3.5Å; K211-E213 VanDerWaalsContact CE-OE1 3.23Å; K211-E213 WeakPolarHBondContact CE-OE1 3.21Å; K211-E213 HydrophobicContact CG-CG 4.27Å; K211-E213 IonicContact NZ-OE1 3.75Å; K211-E213 PolarHBondContact NZ-OE1 2.84Å; E213-Y215 HydrophobicContact CB-CD2 4.07Å; E213-Y215 HydrophobicContact CB-CE2 3.47Å; E213-Y215 VanDerWaalsContact CB-CE2 3.47Å; E213-Y215 HydrophobicContact CG-CE2 4.41Å; E213-Y215 VanDerWaalsContact OE2-CE2 3.3Å; E213-Y215 WeakPolarHBondContact OE2-CE2 3.43Å; E213-Y215 PolarHBondContact OE2-OH 2.86Å; E213-L225 HydrophobicContact CB-CD1 4.07Å; E213-L225 HydrophobicContact CG-CD1 4.46Å
214C98.3Very high91Very high0 Ų052.9 Ų52.90%029%0.288CS..EExtended strand (participates in β ladder)trans-110.6124.1173.4-175.50000108.4Y162 L163 I226 G227 I267Y162-C214 WeakPolarHBondContact O-CA 3.02Å; L163-C214 HydrophobicContact CD2-CB 3.66Å; C214-I226 HydrophobicContact CB-CB 4.41Å; C214-I226 WeakPolarHBondContact O-CA 3.47Å; C214-I226 WeakPolarHBondContact O-CB 3.4Å; C214-I226 PolarHBondContact O-N 2.81Å; C214-G227 PolarHBondContact N-O 3.07Å; C214-G227 PolarHBondContact O-N 2.93Å; C214-I267 HydrophobicContact CB-CD1 3.9Å
215Y97.5Very high91.5Very high45 Ų4554.4 Ų54.418%0.17629%0.292CS..EExtended strand (participates in β ladder)trans-117.5153.7-178.3-75.5-87.8000110.4P161 Y162 E164 E213 H223 D224 L225P161-Y215 VanDerWaalsContact CA-O 3.24Å; P161-Y215 WeakPolarHBondContact CA-O 3.45Å; Y162-Y215 VanDerWaalsContact CE1-CB 3.44Å; Y162-Y215 HydrophobicContact CE2-CD2 4.19Å; Y162-Y215 HydrophobicContact CE2-CG 4.34Å; Y162-Y215 AromaticContact CZ-CG 3.96Å; Y162-Y215 PolarHBondContact N-O 2.7Å; Y162-Y215 PolarHBondContact O-N 3.27Å; Y162-Y215 WeakPolarHBondContact OH-CB 3.26Å; E164-Y215 HydrophobicContact CG-CD2 4.2Å; E164-Y215 HydrophobicContact CG-CE2 4.38Å; E164-Y215 WeakPolarHBondContact OE2-CE2 3.48Å; E213-Y215 HydrophobicContact CB-CD2 4.07Å; E213-Y215 HydrophobicContact CB-CE2 3.47Å; E213-Y215 VanDerWaalsContact CB-CE2 3.47Å; E213-Y215 HydrophobicContact CG-CE2 4.41Å; E213-Y215 VanDerWaalsContact OE2-CE2 3.3Å; E213-Y215 WeakPolarHBondContact OE2-CE2 3.43Å; E213-Y215 PolarHBondContact OE2-OH 2.86Å; Y215-H223 HydrophobicContact CD1-CB 4.31Å; Y215-D224 WeakPolarHBondContact CA-O 3.41Å; Y215-L225 HydrophobicContact CD1-CB 4.09Å; Y215-L225 HydrophobicContact CD1-CD1 4.23Å; Y215-L225 HydrophobicContact CD2-CD1 4.4Å; Y215-L225 HydrophobicContact CE1-CB 3.74Å; Y215-L225 HydrophobicContact CE1-CD1 3.8Å; Y215-L225 HydrophobicContact CE1-CG 4.37Å; Y215-L225 HydrophobicContact CE2-CD1 4.01Å; Y215-L225 HydrophobicContact CG-CD1 4.49Å
216D94.9Very high91.8Very high0 Ų051.1 Ų51.10%028%0.275CS..EExtended strand (participates in β ladder)trans-90.5134.4163.5-158-0.3000109.5K153 S159 D160 H223 D224 I226K153-D216 HydrophobicContact CB-CB 4.23Å; K153-D216 WeakPolarHBondContact CB-OD2 3.46Å; K153-D216 HydrophobicContact CG-CB 4.03Å; S159-D216 WeakPolarHBondContact CA-OD1 3.26Å; S159-D216 VanDerWaalsContact CA-OD2 3.28Å; S159-D216 WeakPolarHBondContact CA-OD2 3.26Å; S159-D216 VanDerWaalsContact CB-OD1 3.32Å; S159-D216 WeakPolarHBondContact CB-OD1 3.49Å; S159-D216 WeakPolarHBondContact CB-OD2 3.29Å; S159-D216 PolarHBondContact OG-OD2 3.12Å; D160-D216 PolarHBondContact N-OD1 3.02Å; D216-H223 VanDerWaalsContact O-CA 3.31Å; D216-H223 WeakPolarHBondContact O-CA 3.35Å; D216-H223 WeakPolarHBondContact O-CB 3.45Å; D216-D224 HydrophobicContact CB-CB 4.07Å; D216-D224 PolarHBondContact N-O 3.03Å; D216-D224 PolarHBondContact O-N 3.33Å; D216-I226 HydrophobicContact CB-CD1 4.27Å; D216-I226 HydrophobicContact CB-CG1 4.25Å
217Y92.1Very high92Very high76 Ų7649 Ų4930%0.29827%0.265SS..  trans-87.2129.9179.3177.8-90.8000111.1D160 V182 N219 H223D160-Y217 PolarHBondContact O-N 3.29Å; D160-Y217 VanDerWaalsContact O-N 3.12Å; V182-Y217 HydrophobicContact CG1-CD1 4.41Å; V182-Y217 HydrophobicContact CG1-CG 4.09Å; V182-Y217 HydrophobicContact CG2-CD2 3.98Å; V182-Y217 HydrophobicContact CG2-CG 3.99Å; Y217-N219 WeakPolarHBondContact CE1-OD1 3.49Å; Y217-H223 AromaticContact CD2-CE1 3.29Å; Y217-H223 WeakPolarHBondContact CD2-CE1 3.4Å; Y217-H223 AromaticContact CD2-ND1 3.89Å; Y217-H223 AromaticContact CD2-NE2 3.81Å; Y217-H223 AromaticContact CE2-CE1 3.37Å; Y217-H223 WeakPolarHBondContact CE2-CE1 3.47Å; Y217-H223 AromaticContact CE2-NE2 3.84Å
218D84.9Confident92.1Very high32 Ų3245.3 Ų45.317%0.17125%0.246CC..  trans-124.7131.3179.7-69.2-63.6000109.7D220 G221 H223 D224D218-D220 PolarHBondContact O-N 3.47Å; D218-D220 VanDerWaalsContact O-N 3.12Å; D218-G221 PolarHBondContact O-N 2.72Å; D218-H223 PolarHBondContact N-ND1 3.45Å; D218-H223 PolarHBondContact O-CE1 3.38Å; D218-H223 PolarHBondContact O-ND1 3Å; D218-H223 WeakPolarHBondContact OD2-CA 3.42Å; D218-D224 PolarHBondContact OD2-N 2.67Å
219N79.1Confident92.3Very high144 Ų14441 Ų4177%0.7723%0.227SC*.THydrogen-bonded Turntrans-64.2-19.4-175.4-70-59.2000113.9Y217 G221Y217-N219 WeakPolarHBondContact CE1-OD1 3.49Å; N219-G221 VanDerWaalsContact C-N 3.29Å
220D78.9Confident92.4Very high126 Ų12644.2 Ų44.267%0.67424%0.239SC*.THydrogen-bonded Turntrans-85.9-1177.969.91000113.4D218 S222D218-D220 PolarHBondContact O-N 3.47Å; D218-D220 VanDerWaalsContact O-N 3.12Å; D220-S222 VanDerWaalsContact C-N 3.34Å; D220-S222 VanDerWaalsContact OD1-CB 3.31Å; D220-S222 WeakPolarHBondContact OD1-CB 3.34Å; D220-S222 PolarHBondContact OD1-N 3.06Å; D220-S222 PolarHBondContact OD1-OG 2.75Å; D220-S222 PolarHBondContact OD2-OG 2.95Å
221G75.3Confident92.4Very high50 Ų5044.8 Ų44.852%0.51524%0.242SC..SBendtrans841-179.300000114.7D218 N219 H223D218-G221 PolarHBondContact O-N 2.72Å; N219-G221 VanDerWaalsContact C-N 3.29Å; G221-H223 PolarHBondContact O-N 3.07Å; G221-H223 VanDerWaalsContact O-N 3.15Å
222S83.5Confident92.4Very high73 Ų7345.3 Ų45.351%0.5125%0.247SC..  trans-87.843.3-178.8710000114D220 D224D220-S222 VanDerWaalsContact C-N 3.34Å; D220-S222 VanDerWaalsContact OD1-CB 3.31Å; D220-S222 WeakPolarHBondContact OD1-CB 3.34Å; D220-S222 PolarHBondContact OD1-N 3.06Å; D220-S222 PolarHBondContact OD1-OG 2.75Å; D220-S222 PolarHBondContact OD2-OG 2.95Å; S222-D224 PolarHBondContact O-N 3.32Å
223H86.9Confident92.3Very high49 Ų4945.2 Ų45.223%0.22725%0.247CC..PPolyproline II helixtrans-47123.9-172.4-55.1-30.5000114.2Y162 Y215 D216 Y217 D218 G221Y162-H223 WeakPolarHBondContact OH-CB 3.37Å; Y162-H223 PolarHBondContact OH-CD2 3.01Å; Y215-H223 HydrophobicContact CD1-CB 4.31Å; D216-H223 VanDerWaalsContact O-CA 3.31Å; D216-H223 WeakPolarHBondContact O-CA 3.35Å; D216-H223 WeakPolarHBondContact O-CB 3.45Å; Y217-H223 AromaticContact CD2-CE1 3.29Å; Y217-H223 WeakPolarHBondContact CD2-CE1 3.4Å; Y217-H223 AromaticContact CD2-ND1 3.89Å; Y217-H223 AromaticContact CD2-NE2 3.81Å; Y217-H223 AromaticContact CE2-CE1 3.37Å; Y217-H223 WeakPolarHBondContact CE2-CE1 3.47Å; Y217-H223 AromaticContact CE2-NE2 3.84Å; D218-H223 PolarHBondContact N-ND1 3.45Å; D218-H223 PolarHBondContact O-CE1 3.38Å; D218-H223 PolarHBondContact O-ND1 3Å; D218-H223 WeakPolarHBondContact OD2-CA 3.42Å; G221-H223 PolarHBondContact O-N 3.07Å; G221-H223 VanDerWaalsContact O-N 3.15Å
224D91.2Very high92.2Very high74 Ų7447.2 Ų47.240%0.39626%0.261SS..EExtended strand (participates in β ladder)trans-86.2120.6-173.9-108.7-25.7000112.9K153 Y215 D216 D218 S222 I226K153-D224 HydrophobicContact CB-CB 4.08Å; K153-D224 HydrophobicContact CG-CB 4.07Å; Y215-D224 WeakPolarHBondContact CA-O 3.41Å; D216-D224 HydrophobicContact CB-CB 4.07Å; D216-D224 PolarHBondContact N-O 3.03Å; D216-D224 PolarHBondContact O-N 3.33Å; D218-D224 PolarHBondContact OD2-N 2.67Å; S222-D224 PolarHBondContact O-N 3.32Å; D224-I226 PolarHBondContact O-N 3.4Å; D224-I226 VanDerWaalsContact O-N 3.09Å
225L96.3Very high92.1Very high50 Ų5051.2 Ų51.226%0.26228%0.278SS..EExtended strand (participates in β ladder)trans-63.1116.9175-178.970.2000110.9K153 E213 Y215 N251K153-L225 WeakPolarHBondContact CE-O 3.33Å; K153-L225 PolarHBondContact NZ-O 3.15Å; E213-L225 HydrophobicContact CB-CD1 4.07Å; E213-L225 HydrophobicContact CG-CD1 4.46Å; Y215-L225 HydrophobicContact CD1-CB 4.09Å; Y215-L225 HydrophobicContact CD1-CD1 4.23Å; Y215-L225 HydrophobicContact CD2-CD1 4.4Å; Y215-L225 HydrophobicContact CE1-CB 3.74Å; Y215-L225 HydrophobicContact CE1-CD1 3.8Å; Y215-L225 HydrophobicContact CE1-CG 4.37Å; Y215-L225 HydrophobicContact CE2-CD1 4.01Å; Y215-L225 HydrophobicContact CG-CD1 4.49Å; L225-N251 PolarHBondContact O-ND2 2.6Å
226I97.3Very high92.1Very high0 Ų049.1 Ų49.10%027%0.27CS..EExtended strand (participates in β ladder)trans-74-54.9170.5-60.8175.4000108.7L150 D151 K153 P161 C214 D216 D224 N251 S264L150-I226 HydrophobicContact CB-CG2 4.47Å; L150-I226 HydrophobicContact CD1-CD1 4.41Å; L150-I226 HydrophobicContact CD2-CG2 4.3Å; D151-I226 HydrophobicContact CB-CG2 4.44Å; K153-I226 HydrophobicContact CG-CG1 4.12Å; P161-I226 HydrophobicContact CB-CD1 4.17Å; C214-I226 HydrophobicContact CB-CB 4.41Å; C214-I226 WeakPolarHBondContact O-CA 3.47Å; C214-I226 WeakPolarHBondContact O-CB 3.4Å; C214-I226 PolarHBondContact O-N 2.81Å; D216-I226 HydrophobicContact CB-CD1 4.27Å; D216-I226 HydrophobicContact CB-CG1 4.25Å; D224-I226 PolarHBondContact O-N 3.4Å; D224-I226 VanDerWaalsContact O-N 3.09Å; I226-N251 WeakPolarHBondContact O-CB 3.21Å; I226-N251 PolarHBondContact O-ND2 3.43Å; I226-N251 VanDerWaalsContact O-ND2 3.16Å; I226-S264 WeakPolarHBondContact CG2-O 3.26Å; I226-S264 VanDerWaalsContact O-CB 3.3Å; I226-S264 WeakPolarHBondContact O-CB 3.48Å; I226-S264 PolarHBondContact O-OG 2.82Å
227G97.7Very high92.1Very high0 Ų054 Ų540%029%0.291CS..EExtended strand (participates in β ladder)trans-180-178.7173.100000113.1C214 C249 I250C214-G227 PolarHBondContact N-O 3.07Å; C214-G227 PolarHBondContact O-N 2.93Å; G227-C249 WeakPolarHBondContact CA-SG 3.34Å; G227-C249 PolarHBondContact O-SG 3.41Å; G227-I250 CarbonylContact C-O 3.53Å; G227-I250 WeakPolarHBondContact CA-O 3.18Å
228T98.1Very high92.3Very high28 Ų2855.4 Ų55.417%0.17230%0.3CS..EExtended strand (participates in β ladder)trans-135.9154.6-177.1-177.10000111.6V212 I250V212-T228 VanDerWaalsContact O-CA 3.3Å; V212-T228 WeakPolarHBondContact O-CA 3.21Å; V212-T228 PolarHBondContact O-OG1 3.32Å; V212-T228 VanDerWaalsContact O-OG1 3.05Å; T228-I250 WeakPolarHBondContact CG2-O 3.32Å; T228-I250 PolarHBondContact N-O 2.88Å; T228-I250 PolarHBondContact O-N 2.65Å
229F98Very high92.8Very high16 Ų1654.2 Ų54.27%0.0730%0.295CS..EExtended strand (participates in β ladder)trans-141.4161.6163.569.5-88.6000110.5V212 T231 F247 I267V212-F229 HydrophobicContact CB-CD1 4Å; V212-F229 HydrophobicContact CB-CD2 4.44Å; V212-F229 HydrophobicContact CB-CE1 3.47Å; V212-F229 VanDerWaalsContact CB-CE1 3.47Å; V212-F229 HydrophobicContact CB-CE2 3.96Å; V212-F229 HydrophobicContact CB-CG 4.47Å; V212-F229 HydrophobicContact CB-CZ 3.46Å; V212-F229 VanDerWaalsContact CB-CZ 3.46Å; V212-F229 HydrophobicContact CG1-CD1 4.43Å; V212-F229 HydrophobicContact CG1-CE1 3.59Å; V212-F229 HydrophobicContact CG1-CZ 3.79Å; V212-F229 HydrophobicContact CG2-CE1 4.17Å; V212-F229 HydrophobicContact CG2-CE2 3.85Å; V212-F229 HydrophobicContact CG2-CZ 3.61Å; V212-F229 PolarHBondContact N-O 2.85Å; V212-F229 PolarHBondContact O-N 3.28Å; F229-T231 HydrophobicContact CD2-CG2 4.45Å; F229-T231 HydrophobicContact CE2-CG2 3.98Å; F229-F247 HydrophobicContact CB-CB 4.1Å; F229-F247 HydrophobicContact CD1-CB 3.88Å; F229-F247 HydrophobicContact CD2-CB 3.51Å; F229-F247 AromaticContact CD2-CD1 3.58Å; F229-F247 HydrophobicContact CD2-CD1 3.58Å; F229-F247 HydrophobicContact CD2-CD2 4.02Å; F229-F247 HydrophobicContact CD2-CE1 4.28Å; F229-F247 AromaticContact CD2-CG 3.42Å; F229-F247 HydrophobicContact CD2-CG 3.42Å; F229-F247 VanDerWaalsContact CD2-CG 3.42Å; F229-F247 HydrophobicContact CE1-CB 4.11Å; F229-F247 HydrophobicContact CE2-CB 3.76Å; F229-F247 AromaticContact CE2-CD1 3.82Å; F229-F247 HydrophobicContact CE2-CD1 3.82Å; F229-F247 AromaticContact CE2-CD2 3.46Å; F229-F247 HydrophobicContact CE2-CD2 3.46Å; F229-F247 VanDerWaalsContact CE2-CD2 3.46Å; F229-F247 HydrophobicContact CE2-CE1 4.26Å; F229-F247 AromaticContact CE2-CE2 3.94Å; F229-F247 HydrophobicContact CE2-CE2 3.94Å; F229-F247 AromaticContact CE2-CG 3.38Å; F229-F247 HydrophobicContact CE2-CG 3.38Å; F229-F247 HydrophobicContact CE2-CZ 4.31Å; F229-F247 HydrophobicContact CG-CB 3.56Å; F229-F247 HydrophobicContact CG-CD1 4.4Å; F229-F247 HydrophobicContact CG-CG 4.04Å; F229-F247 HydrophobicContact CZ-CB 4.04Å; F229-F247 AromaticContact CZ-CD2 3.8Å; F229-F247 HydrophobicContact CZ-CD2 3.8Å; F229-F247 HydrophobicContact CZ-CE2 4.47Å; F229-F247 AromaticContact CZ-CG 3.97Å; F229-F247 HydrophobicContact CZ-CG 3.97Å; F229-I267 HydrophobicContact CD1-CD1 4Å; F229-I267 HydrophobicContact CE1-CB 3.96Å; F229-I267 HydrophobicContact CE1-CD1 3.6Å; F229-I267 HydrophobicContact CE1-CG1 4.37Å; F229-I267 HydrophobicContact CE1-CG2 3.98Å; F229-I267 HydrophobicContact CZ-CG2 4.28Å
230Q97.8Very high93.4Very high118 Ų11849.5 Ų49.555%0.55127%0.273SS*.EExtended strand (participates in β ladder)trans-119.7146.1173-66-178.317.900109.7T209 I210 K211T209-Q230 HydrophobicContact CG2-CB 3.94Å; T209-Q230 HydrophobicContact CG2-CG 4.26Å; I210-Q230 CarbonylContact O-C 3.05Å; I210-Q230 VanDerWaalsContact O-CA 3.27Å; I210-Q230 WeakPolarHBondContact O-CA 3.43Å; K211-Q230 HydrophobicContact CB-CG 4.19Å; K211-Q230 HydrophobicContact CG-CG 4.28Å
231T97.7Very high94Very high12 Ų1251.2 Ų51.27%0.07427%0.27CS..EExtended strand (participates in β ladder)trans-152.1-178.7-178.1-171.50000110.3T209 I210 F229 L236 F247T209-T231 WeakPolarHBondContact CA-O 3.43Å; I210-T231 HydrophobicContact CB-CG2 4.21Å; I210-T231 PolarHBondContact N-O 2.73Å; I210-T231 PolarHBondContact O-N 3.43Å; F229-T231 HydrophobicContact CD2-CG2 4.45Å; F229-T231 HydrophobicContact CE2-CG2 3.98Å; T231-L236 HydrophobicContact CG2-CD1 3.73Å; T231-L236 HydrophobicContact CG2-CD2 3.99Å; T231-L236 HydrophobicContact CG2-CG 3.78Å; T231-F247 HydrophobicContact CG2-CZ 4.39Å; T231-F247 VanDerWaalsContact OG1-CE1 3.32Å; T231-F247 WeakPolarHBondContact OG1-CE1 3.49Å; T231-F247 VanDerWaalsContact OG1-CZ 3.25Å; T231-F247 WeakPolarHBondContact OG1-CZ 3.22Å
232T97.8Very high94.8Very high35 Ų3554.3 Ų54.322%0.21528%0.284CS..  trans-126.7165.8169.164.90000109.9M206 D207 T234 K235 L236M206-T232 WeakPolarHBondContact O-CB 3.49Å; D207-T232 WeakPolarHBondContact O-CG2 3.24Å; T232-T234 VanDerWaalsContact C-N 3.28Å; T232-T234 PolarHBondContact O-N 3.01Å; T232-K235 PolarHBondContact O-N 2.85Å; T232-K235 PolarHBondContact OG1-N 2.98Å; T232-L236 WeakPolarHBondContact O-CG 3.24Å; T232-L236 PolarHBondContact O-N 3.39Å
233M96.3Very high95.4Very high0 Ų054.2 Ų54.20%028%0.283CS..Hα-helixtrans-65.7-33.6173.5-82.4-51.2-52.900112.2V141 F143 L198 L201 C202 M206 I210 K235 L236 K237 I274V141-M233 HydrophobicContact CB-CE 4.34Å; V141-M233 HydrophobicContact CG1-CE 3.6Å; V141-M233 HydrophobicContact CG1-SD 4.35Å; V141-M233 HydrophobicContact CG2-CE 3.77Å; V141-M233 HydrophobicContact CG2-SD 4.2Å; F143-M233 HydrophobicContact CZ-SD 4.31Å; L198-M233 HydrophobicContact CD1-CE 4.22Å; L198-M233 HydrophobicContact CD1-CG 3.84Å; L198-M233 HydrophobicContact CD1-SD 4.39Å; L201-M233 HydrophobicContact CD2-CG 4.37Å; L201-M233 HydrophobicContact CD2-SD 3.44Å; L201-M233 WeakPolarHBondContact CD2-SD 3.45Å; L201-M233 HydrophobicContact CG-SD 4.4Å; C202-M233 HydrophobicContact CB-CG 4.3Å; C202-M233 VanDerWaalsContact SG-CG 3.57Å; M206-M233 HydrophobicContact CE-CB 3.49Å; M206-M233 VanDerWaalsContact CE-CB 3.49Å; M206-M233 WeakPolarHBondContact O-CB 3.23Å; M206-M233 PolarHBondContact O-N 3.2Å; M206-M233 HydrophobicContact SD-CB 3.9Å; I210-M233 HydrophobicContact CD1-CG 3.7Å; I210-M233 HydrophobicContact CD1-SD 3.85Å; M233-K235 VanDerWaalsContact C-N 3.27Å; M233-K235 PolarHBondContact O-N 3.43Å; M233-L236 HydrophobicContact CE-CB 4.38Å; M233-L236 PolarHBondContact O-N 3.38Å; M233-L236 HydrophobicContact SD-CB 4.37Å; M233-L236 HydrophobicContact SD-CD1 3.71Å; M233-K237 HydrophobicContact CE-CG 4.04Å; M233-K237 WeakPolarHBondContact O-CG 3.46Å; M233-K237 PolarHBondContact O-N 2.97Å; M233-I274 HydrophobicContact CE-CD1 4.19Å; M233-I274 HydrophobicContact CE-CG1 4.32Å
234T96.4Very high95.8Very high64 Ų6454.3 Ų54.339%0.39329%0.288SS..Hα-helixtrans-53.2-46.4172.1-60.30000110.9M206 D207 T232M206-T234 WeakPolarHBondContact CB-OG1 3.48Å; M206-T234 PolarHBondContact O-N 3.49Å; M206-T234 PolarHBondContact O-OG1 3.49Å; D207-T234 WeakPolarHBondContact OD1-CB 3.3Å; D207-T234 PolarHBondContact OD1-OG1 3.31Å; T232-T234 VanDerWaalsContact C-N 3.28Å; T232-T234 PolarHBondContact O-N 3.01Å
235K97.1Very high96.1Very high84 Ų8451.3 Ų51.337%0.36527%0.273SS..Hα-helixtrans-72.2-41.3177.7-175.656.1176.4174.50113T232 M233 K237 E238 V245 F247T232-K235 PolarHBondContact O-N 2.85Å; T232-K235 PolarHBondContact OG1-N 2.98Å; M233-K235 VanDerWaalsContact C-N 3.27Å; M233-K235 PolarHBondContact O-N 3.43Å; K235-K237 VanDerWaalsContact C-N 3.33Å; K235-K237 PolarHBondContact O-N 3.45Å; K235-E238 WeakPolarHBondContact CD-OE2 3.48Å; K235-E238 IonicContact NZ-OE1 2.75Å; K235-E238 IonicContact NZ-OE2 3.61Å; K235-E238 PolarHBondContact NZ-OE2 3.41Å; K235-E238 WeakPolarHBondContact O-CB 3.44Å; K235-E238 PolarHBondContact O-N 2.99Å; K235-V245 HydrophobicContact CD-CG1 4.41Å; K235-V245 HydrophobicContact CG-CG1 4.31Å; K235-F247 HydrophobicContact CG-CE1 4.11Å; K235-F247 HydrophobicContact CG-CZ 4.04Å
236L96.8Very high96.2Very high1 Ų153.7 Ų53.71%0.00528%0.283CS..Hα-helixtrans-61.7-40.2-179.2-73.3168.5000112.1F143 I210 T231 T232 M233 E238 A239 F247 V269 C272F143-L236 HydrophobicContact CE1-CD1 4.09Å; F143-L236 HydrophobicContact CE1-CD2 4.4Å; F143-L236 HydrophobicContact CZ-CD1 4.22Å; I210-L236 HydrophobicContact CD1-CD1 3.97Å; T231-L236 HydrophobicContact CG2-CD1 3.73Å; T231-L236 HydrophobicContact CG2-CD2 3.99Å; T231-L236 HydrophobicContact CG2-CG 3.78Å; T232-L236 WeakPolarHBondContact O-CG 3.24Å; T232-L236 PolarHBondContact O-N 3.39Å; M233-L236 HydrophobicContact CE-CB 4.38Å; M233-L236 PolarHBondContact O-N 3.38Å; M233-L236 HydrophobicContact SD-CB 4.37Å; M233-L236 HydrophobicContact SD-CD1 3.71Å; L236-E238 PolarHBondContact O-N 3.33Å; L236-E238 VanDerWaalsContact O-N 3.17Å; L236-A239 WeakPolarHBondContact O-CB 3.44Å; L236-A239 PolarHBondContact O-N 3.47Å; L236-F247 HydrophobicContact CD2-CE2 3.87Å; L236-F247 HydrophobicContact CD2-CZ 4.04Å; L236-V269 HydrophobicContact CD2-CG2 3.73Å; L236-C272 HydrophobicContact CB-CB 4.47Å; L236-C272 WeakPolarHBondContact O-CB 3.46Å
237K95.1Very high96.2Very high102 Ų10254.8 Ų54.844%0.44329%0.287SS..THydrogen-bonded Turntrans-66.7-12.3-179.9-76.9-174.485175.60115.2M206 M233 K235 A239 I274M206-K237 HydrophobicContact CE-CD 3.29Å; M206-K237 HydrophobicContact CE-CG 4.16Å; M233-K237 HydrophobicContact CE-CG 4.04Å; M233-K237 WeakPolarHBondContact O-CG 3.46Å; M233-K237 PolarHBondContact O-N 2.97Å; K235-K237 VanDerWaalsContact C-N 3.33Å; K235-K237 PolarHBondContact O-N 3.45Å; K237-A239 PolarHBondContact O-N 2.64Å; K237-I274 HydrophobicContact CD-CD1 3.52Å; K237-I274 HydrophobicContact CD-CG1 3.78Å; K237-I274 HydrophobicContact CG-CD1 4.32Å; K237-I274 HydrophobicContact CG-CG1 4.23Å
238E95.3Very high96.2Very high106 Ų10660 Ų6050%0.49531%0.311SS..THydrogen-bonded Turntrans-67.7-18171.1-62.3173-163.800111.7K235 L236 S240 V245K235-E238 WeakPolarHBondContact CD-OE2 3.48Å; K235-E238 IonicContact NZ-OE1 2.75Å; K235-E238 IonicContact NZ-OE2 3.61Å; K235-E238 PolarHBondContact NZ-OE2 3.41Å; K235-E238 WeakPolarHBondContact O-CB 3.44Å; K235-E238 PolarHBondContact O-N 2.99Å; L236-E238 PolarHBondContact O-N 3.33Å; L236-E238 VanDerWaalsContact O-N 3.17Å; E238-S240 PolarHBondContact O-N 3.4Å; E238-V245 HydrophobicContact CB-CG2 3.8Å
239A95.7Very high96.1Very high7 Ų758.6 Ų58.66%0.05830%0.303CS..  trans-69.7125.9-178.400000112.9L236 K237 V245 V269 C272L236-A239 WeakPolarHBondContact O-CB 3.44Å; L236-A239 PolarHBondContact O-N 3.47Å; K237-A239 PolarHBondContact O-N 2.64Å; A239-V245 HydrophobicContact CB-CB 4.13Å; A239-V245 HydrophobicContact CB-CG2 3.83Å; A239-V269 HydrophobicContact CB-CB 3.96Å; A239-V269 HydrophobicContact CB-CG1 3.63Å; A239-V269 VanDerWaalsContact CB-O 3.26Å; A239-V269 WeakPolarHBondContact CB-O 3.19Å; A239-C272 HydrophobicContact CB-CB 4.1Å
240S92.8Very high96.1Very high45 Ų4559.1 Ų59.132%0.31531%0.306SS..BIsolated β-bridgetrans-138159.4169.362.80000110E238 S242 S243 K270E238-S240 PolarHBondContact O-N 3.4Å; S240-S242 PolarHBondContact O-N 3.33Å; S240-S242 PolarHBondContact OG-OG 2.9Å; S240-S243 PolarHBondContact N-O 2.94Å; S240-S243 VanDerWaalsContact N-O 3.14Å; S240-S243 CarbonylContact O-C 3.55Å; S240-S243 WeakPolarHBondContact O-CA 3.32Å; S240-S243 PolarHBondContact O-N 3.18Å; S240-S243 PolarHBondContact OG-N 2.84Å; S240-K270 CarbonylContact C-O 3.55Å; S240-K270 WeakPolarHBondContact CA-O 3.12Å
241R90.8Very high96.1Very high162 Ų16254.1 Ų54.161%0.61128%0.283SS*.THydrogen-bonded Turntrans-59.4-24.7-175.9-67.5-171.2-177.3127.5-6113.1E144 K270 Q271E144-R241 IonicContact OE1-CZ 3.63Å; E144-R241 IonicContact OE1-NE 2.7Å; E144-R241 IonicContact OE1-NH2 2.69Å; E144-R241 PolarHBondContact OE1-NH2 3.19Å; E144-R241 IonicContact OE2-CZ 3.66Å; E144-R241 IonicContact OE2-NE 3.68Å; E144-R241 PolarHBondContact OE2-NE 2.86Å; E144-R241 IonicContact OE2-NH2 3.49Å; E144-R241 PolarHBondContact OE2-NH2 2.93Å; R241-K270 WeakPolarHBondContact CA-O 3.34Å; R241-K270 PolarHBondContact N-O 3.14Å; R241-Q271 HydrophobicContact CG-CB 4.42Å; R241-Q271 VanDerWaalsContact NE-OE1 3.12Å
242S92.8Very high95.9Very high114 Ų11457 Ų5780%0.79730%0.296SS*.THydrogen-bonded Turntrans-87.2-18.6174.749.10000114.1S240S240-S242 PolarHBondContact O-N 3.33Å; S240-S242 PolarHBondContact OG-OG 2.9Å
243S94.9Very high95.7Very high72 Ų7262.8 Ų62.850%0.50332%0.318SS..BIsolated β-bridgetrans-144.580.1179.1-178.20000110.1S240S240-S243 PolarHBondContact N-O 2.94Å; S240-S243 VanDerWaalsContact N-O 3.14Å; S240-S243 CarbonylContact O-C 3.55Å; S240-S243 WeakPolarHBondContact O-CA 3.32Å; S240-S243 PolarHBondContact O-N 3.18Å; S240-S243 PolarHBondContact OG-N 2.84Å
244P95.9Very high95.6Very high51 Ų5165.1 Ų65.133%0.33133%0.328SS..  trans-64.4147.4178-21.433.9000112S268 V269P244-S268 WeakPolarHBondContact CB-OG 3.37Å; P244-V269 VanDerWaalsContact CA-O 3.28Å; P244-V269 WeakPolarHBondContact CA-O 3.32Å; P244-V269 WeakPolarHBondContact CB-O 3.39Å
245V97.9Very high95.4Very high11 Ų1168.3 Ų68.37%0.06733%0.333CS..EExtended strand (participates in β ladder)trans-95.1132.8171.21780000108.6K235 E238 A239 F247 S268 V269K235-V245 HydrophobicContact CD-CG1 4.41Å; K235-V245 HydrophobicContact CG-CG1 4.31Å; E238-V245 HydrophobicContact CB-CG2 3.8Å; A239-V245 HydrophobicContact CB-CB 4.13Å; A239-V245 HydrophobicContact CB-CG2 3.83Å; V245-F247 HydrophobicContact CB-CE2 4.38Å; V245-F247 HydrophobicContact CG1-CD2 4.45Å; V245-F247 HydrophobicContact CG1-CE1 4.25Å; V245-F247 HydrophobicContact CG1-CE2 3.6Å; V245-F247 HydrophobicContact CG1-CZ 3.48Å; V245-F247 VanDerWaalsContact CG1-CZ 3.48Å; V245-S268 CarbonylContact O-C 3.52Å; V245-S268 WeakPolarHBondContact O-CA 3.3Å; V245-V269 PolarHBondContact N-O 2.91Å; V245-V269 PolarHBondContact O-N 2.89Å
246E97.9Very high95.2Very high100 Ų10071.8 Ų71.847%0.46735%0.351SS..EExtended strand (participates in β ladder)trans-119.1140.5-173-56.7-170.2147.100111.9R148 V266 I267R148-E246 IonicContact CZ-OE1 2.59Å; R148-E246 IonicContact CZ-OE2 3.84Å; R148-E246 IonicContact NH1-OE1 2.69Å; R148-E246 PolarHBondContact NH1-OE1 3.29Å; R148-E246 IonicContact NH1-OE2 2.61Å; R148-E246 IonicContact NH2-OE1 3.09Å; R148-E246 PolarHBondContact NH2-OE1 2.87Å; R148-E246 IonicContact NH2-OE2 2.81Å; R148-E246 PolarHBondContact NH2-OE2 2.68Å; E246-V266 HydrophobicContact CB-CG1 3.88Å; E246-V266 HydrophobicContact CG-CG1 4.48Å; E246-I267 WeakPolarHBondContact CA-O 3.39Å
247F98.2Very high95Very high23 Ų2380.2 Ų80.210%0.10139%0.387CS..EExtended strand (participates in β ladder)trans-127.8128.8179.1-57.4-83.7000109.8F229 T231 K235 L236 V245 C249 V266 I267 V269F229-F247 HydrophobicContact CB-CB 4.1Å; F229-F247 HydrophobicContact CD1-CB 3.88Å; F229-F247 HydrophobicContact CD2-CB 3.51Å; F229-F247 AromaticContact CD2-CD1 3.58Å; F229-F247 HydrophobicContact CD2-CD1 3.58Å; F229-F247 HydrophobicContact CD2-CD2 4.02Å; F229-F247 HydrophobicContact CD2-CE1 4.28Å; F229-F247 AromaticContact CD2-CG 3.42Å; F229-F247 HydrophobicContact CD2-CG 3.42Å; F229-F247 VanDerWaalsContact CD2-CG 3.42Å; F229-F247 HydrophobicContact CE1-CB 4.11Å; F229-F247 HydrophobicContact CE2-CB 3.76Å; F229-F247 AromaticContact CE2-CD1 3.82Å; F229-F247 HydrophobicContact CE2-CD1 3.82Å; F229-F247 AromaticContact CE2-CD2 3.46Å; F229-F247 HydrophobicContact CE2-CD2 3.46Å; F229-F247 VanDerWaalsContact CE2-CD2 3.46Å; F229-F247 HydrophobicContact CE2-CE1 4.26Å; F229-F247 AromaticContact CE2-CE2 3.94Å; F229-F247 HydrophobicContact CE2-CE2 3.94Å; F229-F247 AromaticContact CE2-CG 3.38Å; F229-F247 HydrophobicContact CE2-CG 3.38Å; F229-F247 HydrophobicContact CE2-CZ 4.31Å; F229-F247 HydrophobicContact CG-CB 3.56Å; F229-F247 HydrophobicContact CG-CD1 4.4Å; F229-F247 HydrophobicContact CG-CG 4.04Å; F229-F247 HydrophobicContact CZ-CB 4.04Å; F229-F247 AromaticContact CZ-CD2 3.8Å; F229-F247 HydrophobicContact CZ-CD2 3.8Å; F229-F247 HydrophobicContact CZ-CE2 4.47Å; F229-F247 AromaticContact CZ-CG 3.97Å; F229-F247 HydrophobicContact CZ-CG 3.97Å; T231-F247 HydrophobicContact CG2-CZ 4.39Å; T231-F247 VanDerWaalsContact OG1-CE1 3.32Å; T231-F247 WeakPolarHBondContact OG1-CE1 3.49Å; T231-F247 VanDerWaalsContact OG1-CZ 3.25Å; T231-F247 WeakPolarHBondContact OG1-CZ 3.22Å; K235-F247 HydrophobicContact CG-CE1 4.11Å; K235-F247 HydrophobicContact CG-CZ 4.04Å; L236-F247 HydrophobicContact CD2-CE2 3.87Å; L236-F247 HydrophobicContact CD2-CZ 4.04Å; V245-F247 HydrophobicContact CB-CE2 4.38Å; V245-F247 HydrophobicContact CG1-CD2 4.45Å; V245-F247 HydrophobicContact CG1-CE1 4.25Å; V245-F247 HydrophobicContact CG1-CE2 3.6Å; V245-F247 HydrophobicContact CG1-CZ 3.48Å; V245-F247 VanDerWaalsContact CG1-CZ 3.48Å; F247-C249 PolarHBondContact O-N 3.39Å; F247-V266 WeakPolarHBondContact O-CA 3.44Å; F247-I267 PolarHBondContact N-O 3.32Å; F247-I267 PolarHBondContact O-N 2.93Å; F247-V269 HydrophobicContact CD2-CG2 4.34Å; F247-V269 HydrophobicContact CE2-CG2 3.89Å
248E97.8Very high94.9Very high108 Ų10881.3 Ų81.351%0.50539%0.392SS..EExtended strand (participates in β ladder)trans-69.9127.9171-63.7-163.7124.300109.9I250 N263E248-I250 HydrophobicContact CB-CD1 4Å; E248-I250 PolarHBondContact O-N 2.74Å; E248-N263 HydrophobicContact CB-CB 3.96Å; E248-N263 HydrophobicContact CG-CB 4.45Å; E248-N263 PolarHBondContact OE1-ND2 2.83Å
249C95.3Very high94.5Very high0 Ų087 Ų870%042%0.415CS..  trans-82.8112.9177-162.30000109G227 F247 Y261 S264 G265 I267G227-C249 WeakPolarHBondContact CA-SG 3.34Å; G227-C249 PolarHBondContact O-SG 3.41Å; F247-C249 PolarHBondContact O-N 3.39Å; C249-Y261 PolarHBondContact O-OH 3.02Å; C249-S264 PolarHBondContact O-N 2.88Å; C249-G265 VanDerWaalsContact CB-O 3.27Å; C249-G265 WeakPolarHBondContact CB-O 3.34Å; C249-G265 PolarHBondContact N-O 3.42Å; C249-I267 HydrophobicContact CB-CD1 4.34Å
250I97.9Very high94.4Very high27 Ų2791.8 Ų91.814%0.13845%0.448CS..BIsolated β-bridgetrans-107.2124.6-172.2-57.7-56.5000111.4G227 T228 E248 Y261 K262 N263G227-I250 CarbonylContact C-O 3.53Å; G227-I250 WeakPolarHBondContact CA-O 3.18Å; T228-I250 WeakPolarHBondContact CG2-O 3.32Å; T228-I250 PolarHBondContact N-O 2.88Å; T228-I250 PolarHBondContact O-N 2.65Å; E248-I250 HydrophobicContact CB-CD1 4Å; E248-I250 PolarHBondContact O-N 2.74Å; I250-Y261 HydrophobicContact CD1-CE1 4.32Å; I250-Y261 HydrophobicContact CG2-CE1 4.34Å; I250-K262 WeakPolarHBondContact CD1-O 3.37Å; I250-N263 HydrophobicContact CD1-CB 3.98Å
251N96.8Very high94.4Very high12 Ų1291.3 Ų91.36%0.06444%0.44CS..  trans-100.2106.5169.5-169.9-61.6000109.5L225 I226 K253 K254 R255 Y261L225-N251 PolarHBondContact O-ND2 2.6Å; I226-N251 WeakPolarHBondContact O-CB 3.21Å; I226-N251 PolarHBondContact O-ND2 3.43Å; I226-N251 VanDerWaalsContact O-ND2 3.16Å; N251-K253 VanDerWaalsContact C-N 3.29Å; N251-K253 PolarHBondContact O-N 3.1Å; N251-K253 WeakPolarHBondContact OD1-CB 3.46Å; N251-K253 PolarHBondContact OD1-N 3.45Å; N251-K254 HydrophobicContact CB-CB 4.03Å; N251-K254 HydrophobicContact CB-CD 4.14Å; N251-K254 HydrophobicContact CB-CG 4.18Å; N251-K254 PolarHBondContact O-N 3.17Å; N251-K254 VanDerWaalsContact O-N 3.1Å; N251-K254 PolarHBondContact OD1-N 2.58Å; N251-R255 PolarHBondContact O-N 3.37Å; N251-Y261 PolarHBondContact N-OH 3.09Å
252E94.8Very high94.6Very high72 Ų7291.7 Ų91.734%0.33645%0.446SS..Hα-helixtrans-59.4-38.9-176.3-70.5-60.416200113K254 R255 Q256E252-K254 VanDerWaalsContact C-N 3.33Å; E252-K254 PolarHBondContact O-N 3.45Å; E252-R255 VanDerWaalsContact CD-CZ 3.49Å; E252-R255 PolarHBondContact O-N 2.68Å; E252-R255 IonicContact OE1-CZ 3.59Å; E252-R255 IonicContact OE1-NE 2.7Å; E252-R255 IonicContact OE1-NH1 3.41Å; E252-R255 IonicContact OE1-NH2 3.62Å; E252-R255 PolarHBondContact OE1-NH2 3.19Å; E252-R255 IonicContact OE2-CZ 3.95Å; E252-R255 IonicContact OE2-NE 3.83Å; E252-R255 PolarHBondContact OE2-NE 3.39Å; E252-R255 IonicContact OE2-NH2 2.66Å; E252-R255 PolarHBondContact OE2-NH2 3.4Å; E252-Q256 WeakPolarHBondContact O-CB 2.98Å; E252-Q256 VanDerWaalsContact O-CG 3.27Å; E252-Q256 WeakPolarHBondContact O-CG 3.29Å; E252-Q256 PolarHBondContact O-N 3.15Å
253K93.5Very high94.7Very high158 Ų15888.2 Ų88.269%0.68742%0.418SS*.Hα-helixtrans-63-39.7177.4-64.3179.8-178.8173.90111.2N251 K257N251-K253 VanDerWaalsContact C-N 3.29Å; N251-K253 PolarHBondContact O-N 3.1Å; N251-K253 WeakPolarHBondContact OD1-CB 3.46Å; N251-K253 PolarHBondContact OD1-N 3.45Å; K253-K257 WeakPolarHBondContact O-CB 3.11Å; K253-K257 WeakPolarHBondContact O-CD 2.95Å; K253-K257 VanDerWaalsContact O-CG 3.23Å; K253-K257 WeakPolarHBondContact O-CG 3.3Å; K253-K257 PolarHBondContact O-N 3.43Å
254K93.1Very high94.8Very high49 Ų4984.8 Ų84.821%0.21339%0.394CS..Hα-helixtrans-71.5-42.2175.1-72.7-178.6173.9173.90111.8D151 N251 E252 Q256 K257 K258 Y261D151-K254 IonicContact OD2-NZ 2.76Å; D151-K254 PolarHBondContact OD2-NZ 3.49Å; N251-K254 HydrophobicContact CB-CB 4.03Å; N251-K254 HydrophobicContact CB-CD 4.14Å; N251-K254 HydrophobicContact CB-CG 4.18Å; N251-K254 PolarHBondContact O-N 3.17Å; N251-K254 VanDerWaalsContact O-N 3.1Å; N251-K254 PolarHBondContact OD1-N 2.58Å; E252-K254 VanDerWaalsContact C-N 3.33Å; E252-K254 PolarHBondContact O-N 3.45Å; K254-Q256 VanDerWaalsContact C-N 3.32Å; K254-Q256 PolarHBondContact O-N 3.11Å; K254-K257 PolarHBondContact O-N 3.1Å; K254-K257 VanDerWaalsContact O-N 3.11Å; K254-K258 PolarHBondContact O-N 3.08Å; K254-Y261 HydrophobicContact CB-CD2 3.9Å; K254-Y261 HydrophobicContact CB-CE2 3.86Å; K254-Y261 HydrophobicContact CB-CG 4.44Å; K254-Y261 HydrophobicContact CD-CE2 4.12Å
255R92.6Very high94.9Very high130 Ų13082.4 Ų82.449%0.49138%0.379SS..Hα-helixtrans-59-42.8179-171.2169.471.7167.29.3112N251 E252 K257 Y261N251-R255 PolarHBondContact O-N 3.37Å; E252-R255 VanDerWaalsContact CD-CZ 3.49Å; E252-R255 PolarHBondContact O-N 2.68Å; E252-R255 IonicContact OE1-CZ 3.59Å; E252-R255 IonicContact OE1-NE 2.7Å; E252-R255 IonicContact OE1-NH1 3.41Å; E252-R255 IonicContact OE1-NH2 3.62Å; E252-R255 PolarHBondContact OE1-NH2 3.19Å; E252-R255 IonicContact OE2-CZ 3.95Å; E252-R255 IonicContact OE2-NE 3.83Å; E252-R255 PolarHBondContact OE2-NE 3.39Å; E252-R255 IonicContact OE2-NH2 2.66Å; E252-R255 PolarHBondContact OE2-NH2 3.4Å; R255-K257 VanDerWaalsContact C-N 3.35Å; R255-K257 PolarHBondContact O-N 3.31Å; R255-Y261 HydrophobicContact CB-CD1 3.71Å; R255-Y261 HydrophobicContact CB-CE1 3.97Å; R255-Y261 HydrophobicContact CG-CD1 4.03Å; R255-Y261 HydrophobicContact CG-CE1 4.49Å
256Q92.8Very high94.9Very high158 Ų15882.9 Ų82.974%0.73838%0.382SS*.Hα-helixtrans-67.1-33.5175.9-69.6171.99.200112.9E252 K254E252-Q256 WeakPolarHBondContact O-CB 2.98Å; E252-Q256 VanDerWaalsContact O-CG 3.27Å; E252-Q256 WeakPolarHBondContact O-CG 3.29Å; E252-Q256 PolarHBondContact O-N 3.15Å; K254-Q256 VanDerWaalsContact C-N 3.32Å; K254-Q256 PolarHBondContact O-N 3.11Å
257K93.4Very high95Very high177 Ų17778.1 Ų78.177%0.7736%0.359SS*.Hα-helixtrans-85.9-29.4-176.5-72.1177.6-178.2-175.10114.3K253 K254 R255K253-K257 WeakPolarHBondContact O-CB 3.11Å; K253-K257 WeakPolarHBondContact O-CD 2.95Å; K253-K257 VanDerWaalsContact O-CG 3.23Å; K253-K257 WeakPolarHBondContact O-CG 3.3Å; K253-K257 PolarHBondContact O-N 3.43Å; K254-K257 PolarHBondContact O-N 3.1Å; K254-K257 VanDerWaalsContact O-N 3.11Å; R255-K257 VanDerWaalsContact C-N 3.35Å; R255-K257 PolarHBondContact O-N 3.31Å
258K92.6Very high94.9Very high126 Ų12677 Ų7755%0.54836%0.355SS..  trans-124.6107-170.9-68.5-175.9-179.7-176.60111K254 S260 Y261K254-K258 PolarHBondContact O-N 3.08Å; K258-S260 PolarHBondContact O-N 2.96Å; K258-S260 VanDerWaalsContact O-N 3.16Å; K258-Y261 WeakPolarHBondContact O-CB 3.17Å; K258-Y261 PolarHBondContact O-N 2.81Å
259K87.7Confident94.9Very high225 Ų22571.9 Ų71.998%0.97833%0.331SS*.THydrogen-bonded Turntrans-59-27.3178.2-71.2-172.3178.4-177.60114.5
260S92.5Very high95Very high107 Ų10775 Ų7575%0.74834%0.344SS*.THydrogen-bonded Turntrans-89.61.6178.562.20000114.1K258 K262K258-S260 PolarHBondContact O-N 2.96Å; K258-S260 VanDerWaalsContact O-N 3.16Å; S260-K262 PolarHBondContact O-N 3.3Å
261Y94.2Very high94.9Very high35 Ų3575 Ų7514%0.13734%0.344CS..  trans-65128.7179.9175.7-95.6000110.5C249 I250 N251 K254 R255 K258 N263 S264C249-Y261 PolarHBondContact O-OH 3.02Å; I250-Y261 HydrophobicContact CD1-CE1 4.32Å; I250-Y261 HydrophobicContact CG2-CE1 4.34Å; N251-Y261 PolarHBondContact N-OH 3.09Å; K254-Y261 HydrophobicContact CB-CD2 3.9Å; K254-Y261 HydrophobicContact CB-CE2 3.86Å; K254-Y261 HydrophobicContact CB-CG 4.44Å; K254-Y261 HydrophobicContact CD-CE2 4.12Å; R255-Y261 HydrophobicContact CB-CD1 3.71Å; R255-Y261 HydrophobicContact CB-CE1 3.97Å; R255-Y261 HydrophobicContact CG-CD1 4.03Å; R255-Y261 HydrophobicContact CG-CE1 4.49Å; K258-Y261 WeakPolarHBondContact O-CB 3.17Å; K258-Y261 PolarHBondContact O-N 2.81Å; Y261-N263 VanDerWaalsContact CE2-C 3.49Å; Y261-N263 WeakPolarHBondContact CE2-O 3.34Å; Y261-N263 VanDerWaalsContact CZ-C 3.4Å; Y261-N263 VanDerWaalsContact CZ-CA 3.48Å; Y261-N263 WeakPolarHBondContact OH-CA 3.15Å; Y261-S264 WeakPolarHBondContact CE2-OG 3.38Å; Y261-S264 WeakPolarHBondContact OH-CB 3.43Å; Y261-S264 PolarHBondContact OH-N 2.57Å; Y261-S264 PolarHBondContact OH-OG 3.48Å
262K93.2Very high94.8Very high171 Ų17174.8 Ų74.874%0.74334%0.343SS*.  trans-101.3-63.6174.3-65.2-171.7176.8-173.50110.4I250 S260I250-K262 WeakPolarHBondContact CD1-O 3.37Å; S260-K262 PolarHBondContact O-N 3.3Å
263N96.4Very high94.8Very high41 Ų4175.6 Ų75.622%0.21935%0.347CS..  trans-157.1174.2177.758.954.1000109.8E248 I250 Y261 G265E248-N263 HydrophobicContact CB-CB 3.96Å; E248-N263 HydrophobicContact CG-CB 4.45Å; E248-N263 PolarHBondContact OE1-ND2 2.83Å; I250-N263 HydrophobicContact CD1-CB 3.98Å; Y261-N263 VanDerWaalsContact CE2-C 3.49Å; Y261-N263 WeakPolarHBondContact CE2-O 3.34Å; Y261-N263 VanDerWaalsContact CZ-C 3.4Å; Y261-N263 VanDerWaalsContact CZ-CA 3.48Å; Y261-N263 WeakPolarHBondContact OH-CA 3.15Å; N263-G265 PolarHBondContact OD1-N 2.77Å; N263-G265 VanDerWaalsContact OD1-N 3.07Å; N263-G265 PolarHBondContact OD1-O 2.78Å
264S97.3Very high94.7Very high0 Ų069.8 Ų69.80%032%0.323CS..SBendtrans-105.630.4175.1-62.80000110.3L150 D151 I226 C249 Y261L150-S264 WeakPolarHBondContact CA-O 3.25Å; D151-S264 PolarHBondContact N-O 2.99Å; D151-S264 PolarHBondContact OD2-OG 3.01Å; I226-S264 WeakPolarHBondContact CG2-O 3.26Å; I226-S264 VanDerWaalsContact O-CB 3.3Å; I226-S264 WeakPolarHBondContact O-CB 3.48Å; I226-S264 PolarHBondContact O-OG 2.82Å; C249-S264 PolarHBondContact O-N 2.88Å; Y261-S264 WeakPolarHBondContact CE2-OG 3.38Å; Y261-S264 WeakPolarHBondContact OH-CB 3.43Å; Y261-S264 PolarHBondContact OH-N 2.57Å; Y261-S264 PolarHBondContact OH-OG 3.48Å
265G97.6Very high94.4Very high1 Ų169.2 Ų69.21%0.0132%0.324CS..  trans112.6175.4-172.300000113.6R148 K149 C249 N263R148-G265 WeakPolarHBondContact O-CA 3.2Å; K149-G265 WeakPolarHBondContact O-CA 3.49Å; C249-G265 VanDerWaalsContact CB-O 3.27Å; C249-G265 WeakPolarHBondContact CB-O 3.34Å; C249-G265 PolarHBondContact N-O 3.42Å; N263-G265 PolarHBondContact OD1-N 2.77Å; N263-G265 VanDerWaalsContact OD1-N 3.07Å; N263-G265 PolarHBondContact OD1-O 2.78Å
266V98.3Very high94Very high20 Ų2066.7 Ų66.712%0.12132%0.323CS..EExtended strand (participates in β ladder)trans-124.5130.5180179.20000109A147 R148 E246 F247A147-V266 CarbonylContact C-O 3.59Å; A147-V266 VanDerWaalsContact CA-O 3.23Å; A147-V266 WeakPolarHBondContact CA-O 3.5Å; A147-V266 WeakPolarHBondContact CB-O 3.49Å; R148-V266 HydrophobicContact CG-CB 4.17Å; R148-V266 PolarHBondContact N-O 3.47Å; R148-V266 PolarHBondContact O-N 3.09Å; E246-V266 HydrophobicContact CB-CG1 3.88Å; E246-V266 HydrophobicContact CG-CG1 4.48Å; F247-V266 WeakPolarHBondContact O-CA 3.44Å
267I98.3Very high93.5Very high0 Ų061.8 Ų61.80%030%0.3CS..EExtended strand (participates in β ladder)trans-100.9128.7173.6-64.9165.3000107.6M145 A147 L163 C214 F229 E246 F247 C249M145-I267 HydrophobicContact CE-CG2 3.48Å; M145-I267 VanDerWaalsContact CE-CG2 3.48Å; A147-I267 HydrophobicContact CB-CG1 3.98Å; L163-I267 HydrophobicContact CD1-CG2 4.46Å; L163-I267 HydrophobicContact CD2-CD1 3.75Å; C214-I267 HydrophobicContact CB-CD1 3.9Å; F229-I267 HydrophobicContact CD1-CD1 4Å; F229-I267 HydrophobicContact CE1-CB 3.96Å; F229-I267 HydrophobicContact CE1-CD1 3.6Å; F229-I267 HydrophobicContact CE1-CG1 4.37Å; F229-I267 HydrophobicContact CE1-CG2 3.98Å; F229-I267 HydrophobicContact CZ-CG2 4.28Å; E246-I267 WeakPolarHBondContact CA-O 3.39Å; F247-I267 PolarHBondContact N-O 3.32Å; F247-I267 PolarHBondContact O-N 2.93Å; C249-I267 HydrophobicContact CB-CD1 4.34Å
268S97.9Very high93.2Very high1 Ų153.9 Ų53.91%0.00727%0.267CS..EExtended strand (participates in β ladder)trans-114.7128.8-179.1-170.40000110.1M145 E146 P244 V245M145-S268 WeakPolarHBondContact CA-O 3.06Å; E146-S268 PolarHBondContact N-O 3.28Å; E146-S268 PolarHBondContact O-N 3.3Å; P244-S268 WeakPolarHBondContact CB-OG 3.37Å; V245-S268 CarbonylContact O-C 3.52Å; V245-S268 WeakPolarHBondContact O-CA 3.3Å
269V97.8Very high93Very high0 Ų048.7 Ų48.70%025%0.245CC..EExtended strand (participates in β ladder)trans-93.5107.7168.9-173.90000106.7F143 M145 L236 A239 P244 V245 F247 C272F143-V269 HydrophobicContact CD1-CG1 4.28Å; M145-V269 HydrophobicContact CE-CG2 3.6Å; M145-V269 HydrophobicContact CG-CB 4.49Å; M145-V269 HydrophobicContact CG-CG1 4.36Å; M145-V269 HydrophobicContact CG-CG2 4.2Å; M145-V269 HydrophobicContact SD-CG2 4.16Å; L236-V269 HydrophobicContact CD2-CG2 3.73Å; A239-V269 HydrophobicContact CB-CB 3.96Å; A239-V269 HydrophobicContact CB-CG1 3.63Å; A239-V269 VanDerWaalsContact CB-O 3.26Å; A239-V269 WeakPolarHBondContact CB-O 3.19Å; P244-V269 VanDerWaalsContact CA-O 3.28Å; P244-V269 WeakPolarHBondContact CA-O 3.32Å; P244-V269 WeakPolarHBondContact CB-O 3.39Å; V245-V269 PolarHBondContact N-O 2.91Å; V245-V269 PolarHBondContact O-N 2.89Å; F247-V269 HydrophobicContact CD2-CG2 4.34Å; F247-V269 HydrophobicContact CE2-CG2 3.89Å; V269-C272 HydrophobicContact CG1-CB 3.89Å
270K96.9Very high93.3Very high64 Ų6438.3 Ų38.328%0.27820%0.2SC..EExtended strand (participates in β ladder)trans-80.7-35.1-179.8-53.5-17584.8153.90111.7E144 E146 S240 R241E144-K270 HydrophobicContact CB-CB 4.22Å; E144-K270 PolarHBondContact O-N 2.66Å; E146-K270 HydrophobicContact CG-CD 4.01Å; E146-K270 HydrophobicContact CG-CG 4.09Å; E146-K270 IonicContact OE1-NZ 3.63Å; E146-K270 VanDerWaalsContact OE2-CD 3.3Å; E146-K270 WeakPolarHBondContact OE2-CD 3.48Å; E146-K270 WeakPolarHBondContact OE2-CE 3.48Å; E146-K270 IonicContact OE2-NZ 3.32Å; E146-K270 PolarHBondContact OE2-NZ 2.91Å; S240-K270 CarbonylContact C-O 3.55Å; S240-K270 WeakPolarHBondContact CA-O 3.12Å; R241-K270 WeakPolarHBondContact CA-O 3.34Å; R241-K270 PolarHBondContact N-O 3.14Å
271Q95.2Very high93.2Very high28 Ų2833.3 Ų33.313%0.13117%0.165CC..EExtended strand (participates in β ladder)trans-145.9135.9176.1-175171.5-5.900108.8F143 E144 R241 E273F143-Q271 WeakPolarHBondContact CA-O 3.42Å; E144-Q271 HydrophobicContact CB-CB 3.93Å; E144-Q271 HydrophobicContact CG-CB 4Å; E144-Q271 PolarHBondContact N-O 3.27Å; E144-Q271 PolarHBondContact O-N 3.29Å; E144-Q271 PolarHBondContact OE1-OE1 3.43Å; E144-Q271 PolarHBondContact OE2-OE1 3.38Å; R241-Q271 HydrophobicContact CG-CB 4.42Å; R241-Q271 VanDerWaalsContact NE-OE1 3.12Å; Q271-E273 PolarHBondContact NE2-OE2 2.79Å
272C95.9Very high93.1Very high8 Ų832.6 Ų32.65%0.05416%0.164CC..EExtended strand (participates in β ladder)trans-137.5100.9170.8176.40000108.5V141 L142 F143 L236 A239 V269V141-C272 VanDerWaalsContact CG1-SG 3.52Å; L142-C272 VanDerWaalsContact O-CA 3.31Å; L142-C272 WeakPolarHBondContact O-CA 3.46Å; F143-C272 HydrophobicContact CD1-CB 4.35Å; F143-C272 HydrophobicContact CE1-CB 4.29Å; L236-C272 HydrophobicContact CB-CB 4.47Å; L236-C272 WeakPolarHBondContact O-CB 3.46Å; A239-C272 HydrophobicContact CB-CB 4.1Å; V269-C272 HydrophobicContact CG1-CB 3.89Å
273E93.6Very high93.1Very high88 Ų8824.5 Ų24.541%0.41113%0.129SC..EExtended strand (participates in β ladder)trans-116126.4-176.2-169.7179.816500110.4V141 L142 Q271 T275V141-E273 CarbonylContact C-O 3.58Å; V141-E273 WeakPolarHBondContact CA-O 3.12Å; L142-E273 HydrophobicContact CB-CB 4.41Å; L142-E273 PolarHBondContact N-O 3.48Å; L142-E273 PolarHBondContact O-N 2.93Å; Q271-E273 PolarHBondContact NE2-OE2 2.79Å; E273-T275 HydrophobicContact CG-CG2 3.84Å
274I91.2Very high93Very high36 Ų3622.6 Ų22.619%0.18512%0.118CC..EExtended strand (participates in β ladder)trans-85.7117.2168.9-61.6-166.8000107.7R139 V140 V141 L198 M206 M233 K237R139-I274 HydrophobicContact CB-CG2 3.84Å; R139-I274 HydrophobicContact CG-CG2 4.15Å; V140-I274 WeakPolarHBondContact O-CA 3.4Å; V141-I274 HydrophobicContact CG2-CG1 4.26Å; L198-I274 HydrophobicContact CD1-CD1 3.79Å; L198-I274 HydrophobicContact CD2-CD1 4.08Å; M206-I274 HydrophobicContact CE-CD1 3.83Å; M206-I274 HydrophobicContact SD-CD1 3.91Å; M233-I274 HydrophobicContact CE-CD1 4.19Å; M233-I274 HydrophobicContact CE-CG1 4.32Å; K237-I274 HydrophobicContact CD-CD1 3.52Å; K237-I274 HydrophobicContact CD-CG1 3.78Å; K237-I274 HydrophobicContact CG-CD1 4.32Å; K237-I274 HydrophobicContact CG-CG1 4.23Å
275T87.6Confident92.8Very high37 Ų3723.5 Ų23.523%0.22712%0.123CC..EExtended strand (participates in β ladder)trans-117.2155175.360.30000109.5R139 V140 E273R139-T275 CarbonylContact C-O 3.55Å; R139-T275 WeakPolarHBondContact CA-O 3.32Å; V140-T275 VanDerWaalsContact CG2-OG1 3.26Å; V140-T275 WeakPolarHBondContact CG2-OG1 3.39Å; V140-T275 PolarHBondContact N-O 3.38Å; V140-T275 PolarHBondContact O-N 2.99Å; V140-T275 VanDerWaalsContact O-O 3.14Å; E273-T275 HydrophobicContact CG-CG2 3.84Å
276V83Confident92.6Very high77 Ų7723.6 Ų23.647%0.46712%0.124SC..EExtended strand (participates in β ladder)trans-98.2123.9171.3170.90000107.1N138 R139N138-V276 VanDerWaalsContact ND2-CG1 3.34Å; N138-V276 WeakPolarHBondContact ND2-CG1 3.29Å; N138-V276 WeakPolarHBondContact OD1-CG1 3.23Å; R139-V276 HydrophobicContact CG-CG2 4.06Å
277E83.4Confident92.3Very high56 Ų5624.1 Ų24.126%0.26213%0.133SC..PPolyproline II helixtrans-100.3129.2171.4-76.7-174.6167.700109.6N138 V140 K195 T279N138-E277 WeakPolarHBondContact CB-O 3.35Å; N138-E277 PolarHBondContact O-N 3.04Å; N138-E277 VanDerWaalsContact O-N 3.07Å; V140-E277 HydrophobicContact CG1-CG 4.41Å; V140-E277 HydrophobicContact CG2-CB 4.48Å; V140-E277 HydrophobicContact CG2-CG 3.66Å; K195-E277 VanDerWaalsContact CD-OE1 3.26Å; K195-E277 WeakPolarHBondContact CD-OE1 3.35Å; K195-E277 WeakPolarHBondContact CE-OE1 3.41Å; K195-E277 IonicContact NZ-OE1 2.6Å; K195-E277 PolarHBondContact NZ-OE1 3.38Å; E277-T279 PolarHBondContact O-N 3.34Å
278C87.3Confident92.2Very high11 Ų1124.2 Ų24.27%0.07413%0.134CC..PPolyproline II helixtrans-66.4128.5178-70.10000109.9D282 Y283 P526C278-D282 WeakPolarHBondContact CA-OD2 3.37Å; C278-D282 HydrophobicContact CB-CB 3.97Å; C278-Y283 HydrophobicContact CB-CD2 4.16Å; C278-Y283 HydrophobicContact CB-CE1 4.07Å; C278-Y283 HydrophobicContact CB-CE2 3.51Å; C278-Y283 VanDerWaalsContact CB-CZ 3.45Å; C278-P526 VanDerWaalsContact SG-CD 3.54Å
279T88.9Confident92Very high16 Ų1627.2 Ų27.210%0.09815%0.148CC..PPolyproline II helixtrans-77.5173.2169.572.80000110.5E134 K136 N138 E277 L281 D282 Y283E134-T279 PolarHBondContact OE2-OG1 3.35Å; K136-T279 HydrophobicContact CD-CG2 4.11Å; N138-T279 HydrophobicContact CB-CG2 4.06Å; E277-T279 PolarHBondContact O-N 3.34Å; T279-L281 VanDerWaalsContact C-N 3.31Å; T279-L281 PolarHBondContact O-N 3.3Å; T279-L281 PolarHBondContact OG1-N 2.95Å; T279-D282 PolarHBondContact N-OD2 2.92Å; T279-D282 WeakPolarHBondContact O-CB 3.48Å; T279-D282 PolarHBondContact O-N 2.96Å; T279-D282 PolarHBondContact OG1-N 3.38Å; T279-D282 PolarHBondContact OG1-OD2 2.92Å; T279-Y283 WeakPolarHBondContact O-CD2 3.15Å; T279-Y283 PolarHBondContact O-N 3.26Å
280F92.3Very high91.9Very high8 Ų827.2 Ų27.24%0.03515%0.148CC..Hα-helixtrans-57.3-45170176.8-106.7000111.9Y67 F69 D282 Y283 I284 L290 Y336 P512 V515 V516Y67-F280 HydrophobicContact CE1-CD1 4.29Å; Y67-F280 HydrophobicContact CE1-CE1 4.47Å; Y67-F280 WeakPolarHBondContact OH-CE1 3.22Å; F69-F280 AromaticContact CD2-CE1 3.52Å; F69-F280 HydrophobicContact CD2-CE1 3.52Å; F69-F280 AromaticContact CD2-CZ 3.59Å; F69-F280 HydrophobicContact CD2-CZ 3.59Å; F69-F280 HydrophobicContact CE2-CE1 4.03Å; F69-F280 AromaticContact CE2-CZ 3.6Å; F69-F280 HydrophobicContact CE2-CZ 3.6Å; F69-F280 HydrophobicContact CG-CE1 4.22Å; F69-F280 HydrophobicContact CG-CZ 4.41Å; F69-F280 HydrophobicContact CZ-CZ 4.42Å; F280-D282 PolarHBondContact O-N 3.26Å; F280-Y283 WeakPolarHBondContact O-CB 3.37Å; F280-Y283 PolarHBondContact O-N 3.39Å; F280-I284 HydrophobicContact CD1-CG1 4.16Å; F280-I284 HydrophobicContact CD2-CG1 4.37Å; F280-I284 HydrophobicContact CE1-CD1 4.41Å; F280-I284 HydrophobicContact CE1-CG1 3.67Å; F280-I284 HydrophobicContact CE2-CD1 4.02Å; F280-I284 HydrophobicContact CE2-CG1 3.92Å; F280-I284 HydrophobicContact CG-CG1 4.49Å; F280-I284 HydrophobicContact CZ-CD1 3.8Å; F280-I284 HydrophobicContact CZ-CG1 3.55Å; F280-I284 WeakPolarHBondContact O-CG1 3.46Å; F280-I284 PolarHBondContact O-N 3.39Å; F280-L290 HydrophobicContact CE2-CD1 4.3Å; F280-L290 HydrophobicContact CZ-CD1 4.06Å; F280-Y336 HydrophobicContact CE1-CE1 4.38Å; F280-P512 HydrophobicContact CB-CB 4.04Å; F280-P512 HydrophobicContact CD1-CB 4.23Å; F280-P512 HydrophobicContact CD1-CG 4.49Å; F280-P512 HydrophobicContact CD2-CB 3.92Å; F280-P512 HydrophobicContact CE2-CB 4.44Å; F280-P512 HydrophobicContact CG-CB 3.79Å; F280-P512 HydrophobicContact CG-CG 4.47Å; F280-V515 HydrophobicContact CD2-CB 4.13Å; F280-V515 HydrophobicContact CD2-CG1 4.05Å; F280-V515 HydrophobicContact CE2-CB 4.27Å; F280-V515 HydrophobicContact CE2-CG1 4.23Å; F280-V515 HydrophobicContact CE2-CG2 4.23Å; F280-V516 HydrophobicContact CB-CG2 3.9Å; F280-V516 VanDerWaalsContact N-CG2 3.31Å
281L92.1Very high91.8Very high2 Ų225.8 Ų25.81%0.0114%0.143CC..Hα-helixtrans-70.7-29178.9-72.2-171.2000113T7 V9 Y67 V106 E134 T279 Y283 I284 M285T7-L281 HydrophobicContact CG2-CD1 3.43Å; T7-L281 VanDerWaalsContact CG2-CD1 3.43Å; T7-L281 HydrophobicContact CG2-CG 4.23Å; V9-L281 HydrophobicContact CG2-CD1 3.66Å; Y67-L281 HydrophobicContact CD1-CD1 3.82Å; Y67-L281 HydrophobicContact CD1-CD2 4.18Å; Y67-L281 HydrophobicContact CD1-CG 4.09Å; Y67-L281 HydrophobicContact CE1-CD1 4.12Å; Y67-L281 HydrophobicContact CE1-CD2 3.63Å; Y67-L281 HydrophobicContact CE1-CG 3.91Å; Y67-L281 HydrophobicContact CE2-CD2 4.25Å; Y67-L281 HydrophobicContact CG-CD1 4.1Å; V106-L281 HydrophobicContact CB-CD2 4.05Å; V106-L281 HydrophobicContact CG1-CD2 4.48Å; V106-L281 HydrophobicContact CG2-CD2 3.95Å; E134-L281 HydrophobicContact CB-CB 4.5Å; E134-L281 HydrophobicContact CB-CD1 4.44Å; E134-L281 HydrophobicContact CG-CD1 4.3Å; T279-L281 VanDerWaalsContact C-N 3.31Å; T279-L281 PolarHBondContact O-N 3.3Å; T279-L281 PolarHBondContact OG1-N 2.95Å; L281-Y283 VanDerWaalsContact C-N 3.25Å; L281-Y283 PolarHBondContact O-N 2.7Å; L281-I284 HydrophobicContact CD2-CB 4.47Å; L281-I284 PolarHBondContact O-N 2.93Å; L281-M285 HydrophobicContact CB-CE 4.41Å; L281-M285 HydrophobicContact CD1-CE 4.01Å; L281-M285 WeakPolarHBondContact O-CB 3.45Å; L281-M285 WeakPolarHBondContact O-CG 3.23Å; L281-M285 PolarHBondContact O-N 3.33Å
282D91.3Very high91.9Very high20 Ų2024.6 Ų24.611%0.10714%0.137CC..Hα-helixtrans-57.8-41.4170.4-78.4-43.2000111.1N138 C278 T279 F280 G286 P526N138-D282 PolarHBondContact ND2-OD2 2.96Å; C278-D282 WeakPolarHBondContact CA-OD2 3.37Å; C278-D282 HydrophobicContact CB-CB 3.97Å; T279-D282 PolarHBondContact N-OD2 2.92Å; T279-D282 WeakPolarHBondContact O-CB 3.48Å; T279-D282 PolarHBondContact O-N 2.96Å; T279-D282 PolarHBondContact OG1-N 3.38Å; T279-D282 PolarHBondContact OG1-OD2 2.92Å; F280-D282 PolarHBondContact O-N 3.26Å; D282-G286 VanDerWaalsContact O-CA 3.3Å; D282-G286 WeakPolarHBondContact O-CA 3.38Å; D282-G286 PolarHBondContact O-N 2.6Å; D282-P526 HydrophobicContact CB-CG 4.45Å; D282-P526 WeakPolarHBondContact O-CB 3.42Å; D282-P526 WeakPolarHBondContact O-CG 3.27Å
283Y93.6Very high92Very high1 Ų124.7 Ų24.70%0.00414%0.138CC..Hα-helixtrans-67.5-52.3174.8-70.3-63.4000111.8C278 T279 F280 L281 G286 G287 C288 A417 V516 F519 N520 L524 P526C278-Y283 HydrophobicContact CB-CD2 4.16Å; C278-Y283 HydrophobicContact CB-CE1 4.07Å; C278-Y283 HydrophobicContact CB-CE2 3.51Å; C278-Y283 VanDerWaalsContact CB-CZ 3.45Å; T279-Y283 WeakPolarHBondContact O-CD2 3.15Å; T279-Y283 PolarHBondContact O-N 3.26Å; F280-Y283 WeakPolarHBondContact O-CB 3.37Å; F280-Y283 PolarHBondContact O-N 3.39Å; L281-Y283 VanDerWaalsContact C-N 3.25Å; L281-Y283 PolarHBondContact O-N 2.7Å; Y283-G286 CarbonylContact O-C 3.52Å; Y283-G286 WeakPolarHBondContact O-CA 3.29Å; Y283-G286 PolarHBondContact O-N 2.99Å; Y283-G287 PolarHBondContact O-N 3.39Å; Y283-C288 WeakPolarHBondContact O-CB 3.41Å; Y283-C288 PolarHBondContact O-N 2.82Å; Y283-A417 HydrophobicContact CD1-CB 3.42Å; Y283-A417 VanDerWaalsContact CD1-CB 3.42Å; Y283-A417 HydrophobicContact CE1-CB 3.41Å; Y283-A417 VanDerWaalsContact CE1-CB 3.41Å; Y283-V516 HydrophobicContact CD2-CG2 4.28Å; Y283-V516 HydrophobicContact CE2-CG2 4.35Å; Y283-F519 HydrophobicContact CD1-CB 4.45Å; Y283-F519 AromaticContact CD1-CD2 3.87Å; Y283-F519 HydrophobicContact CD1-CD2 3.87Å; Y283-F519 HydrophobicContact CD1-CE2 4.46Å; Y283-F519 HydrophobicContact CD1-CG 4.36Å; Y283-F519 HydrophobicContact CD2-CD2 4.14Å; Y283-F519 HydrophobicContact CE1-CB 3.65Å; Y283-F519 AromaticContact CE1-CD2 3.93Å; Y283-F519 HydrophobicContact CE1-CD2 3.93Å; Y283-F519 AromaticContact CE1-CG 3.98Å; Y283-F519 HydrophobicContact CE1-CG 3.98Å; Y283-F519 HydrophobicContact CE2-CB 3.91Å; Y283-F519 HydrophobicContact CE2-CD2 4.19Å; Y283-F519 AromaticContact CG-CD2 3.99Å; Y283-F519 HydrophobicContact CG-CD2 3.99Å; Y283-F519 VanDerWaalsContact OH-CB 3.23Å; Y283-F519 WeakPolarHBondContact OH-CB 3.4Å; Y283-N520 PolarHBondContact OH-OD1 3.41Å; Y283-L524 WeakPolarHBondContact CE1-O 3.04Å; Y283-L524 PolarHBondContact OH-O 3.33Å; Y283-P526 HydrophobicContact CD1-CB 4.21Å; Y283-P526 HydrophobicContact CD1-CG 3.67Å; Y283-P526 HydrophobicContact CE1-CG 3.95Å; Y283-P526 HydrophobicContact CG-CG 4.4Å
284I94.4Very high92.2Very high1 Ų120.5 Ų20.51%0.00512%0.118CC..Hα-helixtrans-61.1-56-178.1-64.4-55.7000111.6V106 F280 L281 G286 G287 L290 Y336V106-I284 HydrophobicContact CG2-CG2 4.46Å; F280-I284 HydrophobicContact CD1-CG1 4.16Å; F280-I284 HydrophobicContact CD2-CG1 4.37Å; F280-I284 HydrophobicContact CE1-CD1 4.41Å; F280-I284 HydrophobicContact CE1-CG1 3.67Å; F280-I284 HydrophobicContact CE2-CD1 4.02Å; F280-I284 HydrophobicContact CE2-CG1 3.92Å; F280-I284 HydrophobicContact CG-CG1 4.49Å; F280-I284 HydrophobicContact CZ-CD1 3.8Å; F280-I284 HydrophobicContact CZ-CG1 3.55Å; F280-I284 WeakPolarHBondContact O-CG1 3.46Å; F280-I284 PolarHBondContact O-N 3.39Å; L281-I284 HydrophobicContact CD2-CB 4.47Å; L281-I284 PolarHBondContact O-N 2.93Å; I284-G286 PolarHBondContact O-N 3.06Å; I284-G287 PolarHBondContact O-N 3.35Å; I284-L290 HydrophobicContact CD1-CD1 4.32Å; I284-L290 HydrophobicContact CD1-CD2 4.26Å; I284-L290 HydrophobicContact CD1-CG 4Å; I284-Y336 HydrophobicContact CD1-CD1 4.13Å; I284-Y336 HydrophobicContact CG1-CD1 4.21Å; I284-Y336 HydrophobicContact CG2-CD1 3.84Å; I284-Y336 HydrophobicContact CG2-CE1 4.29Å
285M92.5Very high92.6Very high19 Ų1918.8 Ų18.89%0.09411%0.109CC..Hα-helixtrans-64.2-24.4177.1-64.8-179.2175.800112.3V9 V106 K109 A132 L281 G287V9-M285 HydrophobicContact CG1-CE 4.33Å; V106-M285 HydrophobicContact CB-CE 3.79Å; V106-M285 HydrophobicContact CB-CG 4.46Å; V106-M285 HydrophobicContact CG1-CE 3.64Å; V106-M285 VanDerWaalsContact O-CG 3.24Å; V106-M285 WeakPolarHBondContact O-CG 3.31Å; K109-M285 HydrophobicContact CB-CB 4.4Å; K109-M285 HydrophobicContact CD-CB 4.42Å; A132-M285 HydrophobicContact CB-CE 3.96Å; L281-M285 HydrophobicContact CB-CE 4.41Å; L281-M285 HydrophobicContact CD1-CE 4.01Å; L281-M285 WeakPolarHBondContact O-CB 3.45Å; L281-M285 WeakPolarHBondContact O-CG 3.23Å; L281-M285 PolarHBondContact O-N 3.33Å; M285-G287 PolarHBondContact O-N 2.85Å
286G92.7Very high93.1Very high3 Ų317 Ų173%0.03110%0.098CC..THydrogen-bonded Turntrans-76.1-4.6173.600000114.1D282 Y283 I284 P527 K528D282-G286 VanDerWaalsContact O-CA 3.3Å; D282-G286 WeakPolarHBondContact O-CA 3.38Å; D282-G286 PolarHBondContact O-N 2.6Å; Y283-G286 CarbonylContact O-C 3.52Å; Y283-G286 WeakPolarHBondContact O-CA 3.29Å; Y283-G286 PolarHBondContact O-N 2.99Å; I284-G286 PolarHBondContact O-N 3.06Å; G286-P527 WeakPolarHBondContact O-CB 3.26Å; G286-P527 WeakPolarHBondContact O-CD 3.3Å; G286-K528 WeakPolarHBondContact O-CB 3.44Å; G286-K528 PolarHBondContact O-N 3.08Å
287G93.2Very high93.8Very high30 Ų3013.3 Ų13.331%0.3098%0.076SC..THydrogen-bonded Turntrans96.816.8176.700000115.1Y283 I284 M285Y283-G287 PolarHBondContact O-N 3.39Å; I284-G287 PolarHBondContact O-N 3.35Å; M285-G287 PolarHBondContact O-N 2.85Å
288C94.9Very high94.5Very high3 Ų310.7 Ų10.72%0.026%0.064CC..  trans-67.6135165.5-173.80000110Y283 A417 S418Y283-C288 WeakPolarHBondContact O-CB 3.41Å; Y283-C288 PolarHBondContact O-N 2.82Å; C288-A417 WeakPolarHBondContact CB-O 3.18Å; C288-A417 PolarHBondContact SG-O 3.38Å; C288-S418 WeakPolarHBondContact CA-O 3.49Å
289Q93.6Very high94.9Very high64 Ų6410.2 Ų10.230%0.2996%0.061SC..EExtended strand (participates in β ladder)trans-107.2141.3174.5-62.9178.4-25.300110.8S418 Y420Q289-S418 PolarHBondContact N-O 2.75Å; Q289-Y420 PolarHBondContact O-N 2.76Å
290L95.5Very high95.2Very high0 Ų011.3 Ų11.30%08%0.075CC..EExtended strand (participates in β ladder)trans-98.6100.1170.6-58-171000109.2F69 F280 I284 F292 Y336 Y420 V515F69-L290 HydrophobicContact CE2-CD1 3.98Å; F69-L290 HydrophobicContact CZ-CD1 4.14Å; F280-L290 HydrophobicContact CE2-CD1 4.3Å; F280-L290 HydrophobicContact CZ-CD1 4.06Å; I284-L290 HydrophobicContact CD1-CD1 4.32Å; I284-L290 HydrophobicContact CD1-CD2 4.26Å; I284-L290 HydrophobicContact CD1-CG 4Å; L290-F292 PolarHBondContact O-N 3.04Å; L290-Y336 HydrophobicContact CD1-CG 4.17Å; L290-Y336 PolarHBondContact N-O 3.22Å; L290-Y420 CarbonylContact C-O 3.56Å; L290-Y420 WeakPolarHBondContact CA-O 3.47Å; L290-Y420 HydrophobicContact CD2-CD1 4.37Å; L290-Y420 HydrophobicContact CD2-CG 4.41Å; L290-V515 HydrophobicContact CD2-CG2 4.14Å
291N96.1Very high95.4Very high34 Ų3414.6 Ų14.618%0.18210%0.099CC..EExtended strand (participates in β ladder)trans-76.4115.3178.5-64.1-89000109.6Q419 Y420 F421 V422N291-Q419 PolarHBondContact ND2-OE1 2.75Å; N291-Q419 PolarHBondContact OD1-OE1 2.83Å; N291-Y420 PolarHBondContact N-O 3.37Å; N291-Y420 PolarHBondContact ND2-O 3.31Å; N291-F421 HydrophobicContact CB-CD1 3.53Å; N291-F421 HydrophobicContact CB-CE1 3.77Å; N291-F421 HydrophobicContact CB-CG 4.21Å; N291-F421 CarbonylContact O-C 3.57Å; N291-F421 WeakPolarHBondContact O-CA 3.12Å; N291-V422 PolarHBondContact O-N 2.55Å
292F97.1Very high95.5Very high3 Ų314.7 Ų14.71%0.01310%0.099CC..EExtended strand (participates in β ladder)trans-101.3125-175.1-178-124.1000112.2L290 V294 V329 I333 F342 P343 I375 V422 L424L290-F292 PolarHBondContact O-N 3.04Å; F292-V294 HydrophobicContact CD1-CG2 4.18Å; F292-V294 HydrophobicContact CE1-CG2 3.44Å; F292-V294 VanDerWaalsContact CE1-CG2 3.44Å; F292-V294 HydrophobicContact CE2-CG2 4.44Å; F292-V294 HydrophobicContact CZ-CG2 3.62Å; F292-V329 HydrophobicContact CE2-CG1 4.34Å; F292-V329 HydrophobicContact CZ-CG1 4.29Å; F292-I333 HydrophobicContact CB-CD1 4.47Å; F292-I333 HydrophobicContact CB-CG2 4Å; F292-I333 HydrophobicContact CD1-CG2 3.64Å; F292-I333 HydrophobicContact CD2-CD1 3.77Å; F292-I333 HydrophobicContact CD2-CG2 3.68Å; F292-I333 HydrophobicContact CE1-CG2 3.92Å; F292-I333 HydrophobicContact CE2-CD1 4.32Å; F292-I333 HydrophobicContact CE2-CG2 3.94Å; F292-I333 HydrophobicContact CG-CD1 4.36Å; F292-I333 HydrophobicContact CG-CG2 3.5Å; F292-I333 HydrophobicContact CZ-CG2 4.05Å; F292-F342 HydrophobicContact CB-CD1 3.72Å; F292-F342 HydrophobicContact CB-CE1 3.85Å; F292-F342 HydrophobicContact CD1-CD1 4.13Å; F292-F342 HydrophobicContact CD1-CE1 4.48Å; F292-F342 HydrophobicContact CD1-CG 4.19Å; F292-F342 HydrophobicContact CG-CD1 4.43Å; F292-F342 WeakPolarHBondContact O-CD1 3.49Å; F292-P343 WeakPolarHBondContact O-CD 3.37Å; F292-I375 HydrophobicContact CD1-CD1 4.31Å; F292-I375 HydrophobicContact CE1-CD1 4.02Å; F292-V422 WeakPolarHBondContact CA-O 3.4Å; F292-V422 HydrophobicContact CD2-CB 4.37Å; F292-V422 HydrophobicContact CD2-CG1 4.34Å; F292-L424 HydrophobicContact CE2-CB 3.59Å; F292-L424 HydrophobicContact CE2-CD2 4.35Å; F292-L424 HydrophobicContact CZ-CB 3.79Å; F292-L424 HydrophobicContact CZ-CD2 3.75Å; F292-L424 HydrophobicContact CZ-CG 4.43Å
293T98.1Very high95.7Very high9 Ų915.2 Ų15.26%0.05511%0.11CC..EExtended strand (participates in β ladder)trans-119.5141.8175.3-57.30000110.2P343 F345 V404 V422 L423 L424T293-P343 HydrophobicContact CG2-CG 4.05Å; T293-P343 WeakPolarHBondContact OG1-CG 3.35Å; T293-F345 HydrophobicContact CG2-CD2 3.98Å; T293-F345 HydrophobicContact CG2-CE2 4.06Å; T293-V404 HydrophobicContact CG2-CG2 3.78Å; T293-V422 PolarHBondContact N-O 3.13Å; T293-L423 HydrophobicContact CG2-CD1 4Å; T293-L423 WeakPolarHBondContact O-CA 3.44Å; T293-L424 PolarHBondContact O-N 3.19Å
294V98.4Very high95.8Very high0 Ų018.5 Ų18.50%013%0.127CC..EExtended strand (participates in β ladder)trans-115.9132.1178.2173.70000110.6F292 V296 L326 P343 A344 F345 M363 I378 L424F292-V294 HydrophobicContact CD1-CG2 4.18Å; F292-V294 HydrophobicContact CE1-CG2 3.44Å; F292-V294 VanDerWaalsContact CE1-CG2 3.44Å; F292-V294 HydrophobicContact CE2-CG2 4.44Å; F292-V294 HydrophobicContact CZ-CG2 3.62Å; V294-V296 HydrophobicContact CG1-CG2 3.82Å; V294-L326 HydrophobicContact CB-CD2 4.42Å; V294-L326 HydrophobicContact CG1-CD2 3.43Å; V294-L326 VanDerWaalsContact CG1-CD2 3.43Å; V294-L326 HydrophobicContact CG2-CD2 4.11Å; V294-P343 PolarHBondContact N-O 3.37Å; V294-P343 VanDerWaalsContact N-O 3.1Å; V294-A344 HydrophobicContact CB-CB 4.4Å; V294-F345 PolarHBondContact O-N 3.21Å; V294-M363 HydrophobicContact CG1-CE 4.49Å; V294-I378 HydrophobicContact CG1-CG2 4.46Å; V294-I378 HydrophobicContact CG2-CD1 3.8Å; V294-L424 CarbonylContact C-O 3.57Å; V294-L424 WeakPolarHBondContact CA-O 3.49Å; V294-L424 HydrophobicContact CG2-CD2 4.47Å
295G98.3Very high95.8Very high0 Ų020.1 Ų20.10%014%0.138CC..EExtended strand (participates in β ladder)trans-116.6120.5167.200000110.5F345 L424 I425 I426G295-F345 CarbonylContact C-O 3.57Å; G295-F345 WeakPolarHBondContact CA-O 3.46Å; G295-L424 PolarHBondContact N-O 2.68Å; G295-I425 WeakPolarHBondContact O-CA 3.5Å; G295-I426 PolarHBondContact O-N 3.37Å
296V98.4Very high95.9Very high0 Ų028.8 Ų28.80%017%0.169CC..EExtended strand (participates in β ladder)trans-109.1125.5178179.40000110V294 F298 Y322 F345 G346 F347 M363 Y382V294-V296 HydrophobicContact CG1-CG2 3.82Å; V296-F298 HydrophobicContact CB-CD2 4.27Å; V296-F298 HydrophobicContact CB-CE2 3.75Å; V296-F298 HydrophobicContact CB-CZ 4.22Å; V296-F298 HydrophobicContact CG1-CD2 4.09Å; V296-F298 HydrophobicContact CG1-CE1 4.23Å; V296-F298 HydrophobicContact CG1-CE2 3.68Å; V296-F298 HydrophobicContact CG1-CZ 3.77Å; V296-F298 VanDerWaalsContact O-CD2 3.31Å; V296-F298 WeakPolarHBondContact O-CD2 3.3Å; V296-F298 PolarHBondContact O-N 3.24Å; V296-Y322 HydrophobicContact CG1-CD1 3.72Å; V296-Y322 HydrophobicContact CG1-CE1 3.86Å; V296-F345 PolarHBondContact N-O 2.61Å; V296-G346 CarbonylContact O-C 3.57Å; V296-G346 VanDerWaalsContact O-CA 3.25Å; V296-G346 WeakPolarHBondContact O-CA 3.38Å; V296-F347 VanDerWaalsContact C-CE1 3.43Å; V296-F347 WeakPolarHBondContact O-CD1 3.44Å; V296-F347 PolarHBondContact O-N 2.89Å; V296-M363 HydrophobicContact CB-SD 4.14Å; V296-M363 HydrophobicContact CG2-CE 4Å; V296-M363 HydrophobicContact CG2-SD 3.93Å; V296-Y382 HydrophobicContact CG1-CD2 4.08Å; V296-Y382 HydrophobicContact CG1-CE2 3.94Å
297D97.8Very high96.1Very high0 Ų030.7 Ų30.70%018%0.182CC..EExtended strand (participates in β ladder)trans-68.8123.2171.3-169.3-20.6000110.4T299 H312 Y322 F347 T395 I426 T427D297-T299 WeakPolarHBondContact OD1-CB 3.44Å; D297-T299 WeakPolarHBondContact OD1-CG2 2.93Å; D297-T299 PolarHBondContact OD1-N 2.93Å; D297-T299 PolarHBondContact OD1-OG1 3.3Å; D297-H312 PolarHBondContact O-CE1 2.89Å; D297-H312 PolarHBondContact O-NE2 3.21Å; D297-Y322 HydrophobicContact CB-CE1 4.3Å; D297-Y322 PolarHBondContact O-OH 3.29Å; D297-F347 VanDerWaalsContact CA-CZ 3.48Å; D297-F347 HydrophobicContact CB-CE1 4.25Å; D297-F347 HydrophobicContact CB-CE2 3.64Å; D297-F347 HydrophobicContact CB-CZ 3.5Å; D297-F347 VanDerWaalsContact CB-CZ 3.5Å; D297-T395 VanDerWaalsContact OD2-CG2 3.32Å; D297-T395 WeakPolarHBondContact OD2-CG2 3.38Å; D297-I426 WeakPolarHBondContact CB-O 3.48Å; D297-I426 PolarHBondContact N-O 3.35Å; D297-T427 WeakPolarHBondContact OD2-CB 3.39Å; D297-T427 PolarHBondContact OD2-OG1 3.46Å
298F97.8Very high96.1Very high0 Ų033.5 Ų33.50%020%0.195CC..  trans-120.635.4174-70.6-77.2000111.1V296 H312 F347 A349 F361 M363 Y382 L386 I389 L391 Y392V296-F298 HydrophobicContact CB-CD2 4.27Å; V296-F298 HydrophobicContact CB-CE2 3.75Å; V296-F298 HydrophobicContact CB-CZ 4.22Å; V296-F298 HydrophobicContact CG1-CD2 4.09Å; V296-F298 HydrophobicContact CG1-CE1 4.23Å; V296-F298 HydrophobicContact CG1-CE2 3.68Å; V296-F298 HydrophobicContact CG1-CZ 3.77Å; V296-F298 VanDerWaalsContact O-CD2 3.31Å; V296-F298 WeakPolarHBondContact O-CD2 3.3Å; V296-F298 PolarHBondContact O-N 3.24Å; F298-H312 AromaticContact CD1-CE1 3.75Å; F298-H312 AromaticContact CD1-NE2 3.6Å; F298-F347 PolarHBondContact N-O 2.93Å; F298-A349 HydrophobicContact CB-CB 3.82Å; F298-F361 AromaticContact CD2-CZ 3.83Å; F298-F361 HydrophobicContact CD2-CZ 3.83Å; F298-F361 HydrophobicContact CE2-CZ 4.27Å; F298-F361 HydrophobicContact CG-CZ 4.49Å; F298-M363 HydrophobicContact CE2-CG 4.15Å; F298-M363 HydrophobicContact CE2-SD 3.8Å; F298-M363 HydrophobicContact CZ-SD 3.9Å; F298-Y382 HydrophobicContact CE1-CD2 4.06Å; F298-Y382 AromaticContact CE1-CE2 3.8Å; F298-Y382 HydrophobicContact CE1-CE2 3.8Å; F298-Y382 AromaticContact CZ-CD2 3.73Å; F298-Y382 HydrophobicContact CZ-CD2 3.73Å; F298-Y382 AromaticContact CZ-CE2 3.93Å; F298-Y382 HydrophobicContact CZ-CE2 3.93Å; F298-L386 HydrophobicContact CD1-CD1 3.96Å; F298-L386 HydrophobicContact CE1-CB 4.41Å; F298-L386 HydrophobicContact CE1-CD1 3.83Å; F298-I389 HydrophobicContact CB-CD1 3.67Å; F298-I389 HydrophobicContact CD1-CD1 3.43Å; F298-I389 VanDerWaalsContact CD1-CD1 3.43Å; F298-I389 HydrophobicContact CD2-CD1 4.05Å; F298-I389 HydrophobicContact CE1-CD1 3.95Å; F298-I389 HydrophobicContact CG-CD1 3.46Å; F298-I389 VanDerWaalsContact CG-CD1 3.46Å; F298-I389 HydrophobicContact CZ-CD1 4.45Å; F298-L391 HydrophobicContact CB-CD2 3.82Å; F298-L391 HydrophobicContact CD1-CD2 4.03Å; F298-L391 HydrophobicContact CG-CD2 4.44Å; F298-L391 WeakPolarHBondContact O-CA 3.44Å; F298-L391 WeakPolarHBondContact O-CB 3.39Å; F298-L391 VanDerWaalsContact O-CD2 3.24Å; F298-L391 WeakPolarHBondContact O-CD2 3.33Å; F298-Y392 PolarHBondContact O-N 3.12Å
299T96.8Very high96Very high2 Ų240.6 Ų40.61%0.01223%0.233CC..BIsolated β-bridgetrans-77.9158.1176.5600000112.2D297 S301 N302 Y392 T395D297-T299 WeakPolarHBondContact OD1-CB 3.44Å; D297-T299 WeakPolarHBondContact OD1-CG2 2.93Å; D297-T299 PolarHBondContact OD1-N 2.93Å; D297-T299 PolarHBondContact OD1-OG1 3.3Å; T299-S301 PolarHBondContact O-N 3Å; T299-S301 PolarHBondContact OG1-OG 3.1Å; T299-N302 WeakPolarHBondContact O-CB 3.4Å; T299-N302 PolarHBondContact O-N 2.83Å; T299-N302 PolarHBondContact O-ND2 3.3Å; T299-N302 VanDerWaalsContact O-ND2 3.13Å; T299-Y392 CarbonylContact C-O 3.5Å; T299-Y392 WeakPolarHBondContact CA-O 3.31Å; T299-Y392 VanDerWaalsContact CB-O 3.29Å; T299-Y392 WeakPolarHBondContact CB-O 3.4Å; T299-T395 HydrophobicContact CG2-CG2 4.4Å; T299-T395 WeakPolarHBondContact CG2-OG1 3.22Å
300G95.3Very high96.2Very high39 Ų3938 Ų3840%0.40222%0.222SC..G310 helixtrans-69.4-15.1-174.700000114.2N302 G303 Y392G300-N302 PolarHBondContact O-N 3.11Å; G300-G303 PolarHBondContact O-N 3.28Å; G300-G303 VanDerWaalsContact O-N 3.08Å; G300-Y392 PolarHBondContact N-O 3.07Å
301S94.6Very high96.2Very high77 Ų7740 Ų4054%0.53823%0.233SC..G310 helixtrans-60.5-24.4171.845.90000112.4T299 G303 D428T299-S301 PolarHBondContact O-N 3Å; T299-S301 PolarHBondContact OG1-OG 3.1Å; S301-G303 PolarHBondContact O-N 3.18Å; S301-D428 WeakPolarHBondContact CB-OD2 3.39Å; S301-D428 VanDerWaalsContact OG-CG 3.27Å; S301-D428 PolarHBondContact OG-OD1 2.97Å; S301-D428 VanDerWaalsContact OG-OD1 3.05Å; S301-D428 PolarHBondContact OG-OD2 3.28Å
302N96Very high96.3Very high3 Ų338.4 Ų38.42%0.01622%0.224CC..G310 helixtrans-68.6-11.2174.4-72.8-78.9000114.8T299 G300 S310 L311 Y322 L391 D428T299-N302 WeakPolarHBondContact O-CB 3.4Å; T299-N302 PolarHBondContact O-N 2.83Å; T299-N302 PolarHBondContact O-ND2 3.3Å; T299-N302 VanDerWaalsContact O-ND2 3.13Å; G300-N302 PolarHBondContact O-N 3.11Å; N302-S310 VanDerWaalsContact O-CA 3.23Å; N302-S310 WeakPolarHBondContact O-CA 3.26Å; N302-S310 VanDerWaalsContact O-CB 3.29Å; N302-S310 WeakPolarHBondContact O-CB 3.4Å; N302-S310 PolarHBondContact O-OG 2.84Å; N302-L311 HydrophobicContact CB-CB 4.47Å; N302-L311 PolarHBondContact O-N 2.92Å; N302-L311 VanDerWaalsContact O-N 3.11Å; N302-L311 WeakPolarHBondContact OD1-CB 3.33Å; N302-L311 WeakPolarHBondContact OD1-CD1 3.45Å; N302-Y322 PolarHBondContact ND2-OH 3.36Å; N302-Y322 WeakPolarHBondContact OD1-CE2 3.19Å; N302-Y322 PolarHBondContact OD1-OH 2.94Å; N302-L391 HydrophobicContact CB-CD1 4.26Å; N302-D428 PolarHBondContact N-OD2 3.13Å; N302-D428 PolarHBondContact ND2-OD1 3.44Å; N302-D428 WeakPolarHBondContact OD1-CB 3.46Å
303G95.1Very high96.3Very high31 Ų3141.6 Ų41.632%0.3224%0.236SC..  trans74171-177.700000114.2G300 S301 P305 S310 L391G300-G303 PolarHBondContact O-N 3.28Å; G300-G303 VanDerWaalsContact O-N 3.08Å; S301-G303 PolarHBondContact O-N 3.18Å; G303-P305 WeakPolarHBondContact O-CD 3.32Å; G303-S310 PolarHBondContact O-OG 3.28Å; G303-S310 VanDerWaalsContact O-OG 3.12Å; G303-L391 WeakPolarHBondContact O-CD1 3.38Å
304D95.2Very high96Very high71 Ų7143.9 Ų43.938%0.3825%0.247SC..  trans-62.8119.9-178.9-175-24.6000111R306 S307 S310D304-R306 PolarHBondContact O-N 3.02Å; D304-R306 WeakPolarHBondContact OD1-CB 3.4Å; D304-R306 WeakPolarHBondContact OD1-CG 3.29Å; D304-R306 IonicContact OD1-CZ 3.03Å; D304-R306 PolarHBondContact OD1-N 3.08Å; D304-R306 IonicContact OD1-NE 2.85Å; D304-R306 PolarHBondContact OD1-NE 3.24Å; D304-R306 IonicContact OD1-NH2 3.84Å; D304-R306 IonicContact OD2-CZ 3.68Å; D304-R306 IonicContact OD2-NE 2.97Å; D304-R306 PolarHBondContact OD2-NE 3.05Å; D304-R306 IonicContact OD2-NH2 3.73Å; D304-R306 PolarHBondContact OD2-NH2 3.32Å; D304-S307 VanDerWaalsContact O-CB 3.29Å; D304-S307 WeakPolarHBondContact O-CB 3.46Å; D304-S307 PolarHBondContact O-N 2.72Å; D304-S310 WeakPolarHBondContact O-CB 3.42Å
305P95.5Very high95.6Very high34 Ų3445.2 Ų45.222%0.22126%0.257CS..THydrogen-bonded Turntrans-58-14.9-178.2-26.535.5000115.5G303 H312 L386 L391G303-P305 WeakPolarHBondContact O-CD 3.32Å; P305-H312 HydrophobicContact CB-CB 4.15Å; P305-H312 HydrophobicContact CG-CB 4.17Å; P305-L386 HydrophobicContact CB-CD1 4.05Å; P305-L386 HydrophobicContact CB-CD2 4.06Å; P305-L386 HydrophobicContact CB-CG 4.05Å; P305-L386 HydrophobicContact CG-CD1 3.69Å; P305-L386 HydrophobicContact CG-CG 4.18Å; P305-L391 HydrophobicContact CG-CD1 3.83Å; P305-L391 HydrophobicContact CG-CG 4.26Å
306R93.4Very high95.1Very high201 Ų20150.9 Ų50.976%0.75829%0.294SS*.THydrogen-bonded Turntrans-83.8-18.4175.3-60170.7-67.1-179.22.7112.7D304D304-R306 PolarHBondContact O-N 3.02Å; D304-R306 WeakPolarHBondContact OD1-CB 3.4Å; D304-R306 WeakPolarHBondContact OD1-CG 3.29Å; D304-R306 IonicContact OD1-CZ 3.03Å; D304-R306 PolarHBondContact OD1-N 3.08Å; D304-R306 IonicContact OD1-NE 2.85Å; D304-R306 PolarHBondContact OD1-NE 3.24Å; D304-R306 IonicContact OD1-NH2 3.84Å; D304-R306 IonicContact OD2-CZ 3.68Å; D304-R306 IonicContact OD2-NE 2.97Å; D304-R306 PolarHBondContact OD2-NE 3.05Å; D304-R306 IonicContact OD2-NH2 3.73Å; D304-R306 PolarHBondContact OD2-NH2 3.32Å
307S96.3Very high94.5Very high43 Ų4357.9 Ų57.930%0.30133%0.331SS..SBendtrans-82.6132.5177.7-1750000110.4D304 D309 S310 Y313D304-S307 VanDerWaalsContact O-CB 3.29Å; D304-S307 WeakPolarHBondContact O-CB 3.46Å; D304-S307 PolarHBondContact O-N 2.72Å; S307-D309 PolarHBondContact O-N 3.13Å; S307-D309 VanDerWaalsContact O-N 3.09Å; S307-D309 PolarHBondContact OG-N 3.25Å; S307-S310 WeakPolarHBondContact O-CB 3.49Å; S307-S310 PolarHBondContact O-N 2.63Å; S307-Y313 VanDerWaalsContact O-CB 3.27Å; S307-Y313 WeakPolarHBondContact O-CB 3.43Å; S307-Y313 WeakPolarHBondContact O-CD2 3.3Å
308P94.2Very high93.9Very high90 Ų9058.7 Ų58.758%0.58434%0.339SS*.THydrogen-bonded Turntrans-56.3-22173.2-26.636000115.2S310 Y313P308-S310 VanDerWaalsContact C-N 3.31Å; P308-Y313 HydrophobicContact CB-CD1 4.4Å; P308-Y313 HydrophobicContact CB-CE1 4.21Å; P308-Y313 HydrophobicContact CG-CE2 4.33Å
309D93.6Very high93.4Very high152 Ų15261.6 Ų61.681%0.81336%0.357SS*.THydrogen-bonded Turntrans-82.3-7.8178.8-58.6-37.4000113.1S307S307-D309 PolarHBondContact O-N 3.13Å; S307-D309 VanDerWaalsContact O-N 3.09Å; S307-D309 PolarHBondContact OG-N 3.25Å
310S96.3Very high93.3Very high9 Ų962.4 Ų62.46%0.06336%0.361CS..SBendtrans-76.6140.7178.5172.80000111.8N302 G303 D304 S307 P308 H312 Y313N302-S310 VanDerWaalsContact O-CA 3.23Å; N302-S310 WeakPolarHBondContact O-CA 3.26Å; N302-S310 VanDerWaalsContact O-CB 3.29Å; N302-S310 WeakPolarHBondContact O-CB 3.4Å; N302-S310 PolarHBondContact O-OG 2.84Å; G303-S310 PolarHBondContact O-OG 3.28Å; G303-S310 VanDerWaalsContact O-OG 3.12Å; D304-S310 WeakPolarHBondContact O-CB 3.42Å; S307-S310 WeakPolarHBondContact O-CB 3.49Å; S307-S310 PolarHBondContact O-N 2.63Å; P308-S310 VanDerWaalsContact C-N 3.31Å; S310-H312 PolarHBondContact O-N 2.85Å; S310-H312 PolarHBondContact OG-N 3.39Å; S310-H312 VanDerWaalsContact OG-N 3.1Å; S310-Y313 WeakPolarHBondContact O-CB 3.39Å; S310-Y313 PolarHBondContact O-N 2.89Å
311L96.2Very high93.2Very high43 Ų4362.2 Ų62.223%0.22535%0.35CS..THydrogen-bonded Turntrans-66.7-22.6173-62.2175.5000112.4N302 Y322 D428 V456N302-L311 HydrophobicContact CB-CB 4.47Å; N302-L311 PolarHBondContact O-N 2.92Å; N302-L311 VanDerWaalsContact O-N 3.11Å; N302-L311 WeakPolarHBondContact OD1-CB 3.33Å; N302-L311 WeakPolarHBondContact OD1-CD1 3.45Å; L311-Y322 HydrophobicContact CB-CE2 3.95Å; L311-D428 HydrophobicContact CD1-CB 3.42Å; L311-D428 VanDerWaalsContact CD1-CB 3.42Å; L311-V456 HydrophobicContact CD1-CG2 4.31Å
312H97.4Very high93.3Very high0 Ų058.5 Ų58.50%032%0.324CS..THydrogen-bonded Turntrans-87.2-7172.6-75.5-49.8000113.9D297 F298 P305 S310 I314 N320 Y322 Y382 L386D297-H312 PolarHBondContact O-CE1 2.89Å; D297-H312 PolarHBondContact O-NE2 3.21Å; F298-H312 AromaticContact CD1-CE1 3.75Å; F298-H312 AromaticContact CD1-NE2 3.6Å; P305-H312 HydrophobicContact CB-CB 4.15Å; P305-H312 HydrophobicContact CG-CB 4.17Å; S310-H312 PolarHBondContact O-N 2.85Å; S310-H312 PolarHBondContact OG-N 3.39Å; S310-H312 VanDerWaalsContact OG-N 3.1Å; H312-I314 PolarHBondContact O-N 2.83Å; H312-I314 VanDerWaalsContact O-N 3.1Å; H312-N320 PolarHBondContact O-ND2 2.76Å; H312-Y322 AromaticContact CE1-CD2 3.83Å; H312-Y322 AromaticContact CE1-CE1 3.88Å; H312-Y322 AromaticContact CE1-CE2 3.52Å; H312-Y322 AromaticContact CE1-CZ 3.57Å; H312-Y322 AromaticContact ND1-CD2 3.62Å; H312-Y322 AromaticContact ND1-CE2 3.66Å; H312-Y382 AromaticContact ND1-CE2 3.84Å; H312-Y382 AromaticContact ND1-CZ 3.75Å; H312-Y382 PolarHBondContact ND1-OH 3.4Å; H312-L386 HydrophobicContact CB-CD1 3.88Å; H312-L386 HydrophobicContact CB-CD2 4.04Å
313Y96.8Very high93.3Very high69 Ų6958.4 Ų58.427%0.27132%0.323SS..  trans-57.3117.2179.2179.2-109.6000111.2S307 P308 S310 S315 N320S307-Y313 VanDerWaalsContact O-CB 3.27Å; S307-Y313 WeakPolarHBondContact O-CB 3.43Å; S307-Y313 WeakPolarHBondContact O-CD2 3.3Å; P308-Y313 HydrophobicContact CB-CD1 4.4Å; P308-Y313 HydrophobicContact CB-CE1 4.21Å; P308-Y313 HydrophobicContact CG-CE2 4.33Å; S310-Y313 WeakPolarHBondContact O-CB 3.39Å; S310-Y313 PolarHBondContact O-N 2.89Å; Y313-S315 PolarHBondContact O-N 3.21Å; Y313-N320 WeakPolarHBondContact O-CB 3.21Å
314I93Very high93.2Very high57 Ų5759.2 Ų59.229%0.29232%0.322SS..  trans-81.4105.1175.4-59173.3000107H312 Y382 R383 L386H312-I314 PolarHBondContact O-N 2.83Å; H312-I314 VanDerWaalsContact O-N 3.1Å; I314-Y382 HydrophobicContact CD1-CE1 4.48Å; I314-R383 HydrophobicContact CD1-CG 4.04Å; I314-L386 HydrophobicContact CD1-CD2 4.24Å; I314-L386 HydrophobicContact CG1-CD2 4.43Å
315S89.4Confident93.1Very high29 Ų2955.8 Ų55.820%0.20330%0.304CS..  trans-56.6162.5177.764.60000112.1Y313 N317 G318 V319Y313-S315 PolarHBondContact O-N 3.21Å; S315-N317 PolarHBondContact O-N 2.8Å; S315-G318 WeakPolarHBondContact O-CA 3.41Å; S315-G318 PolarHBondContact O-N 2.73Å; S315-V319 WeakPolarHBondContact CB-O 3.48Å; S315-V319 PolarHBondContact N-O 3.11Å; S315-V319 PolarHBondContact OG-N 2.94Å; S315-V319 PolarHBondContact OG-O 2.95Å
316P87.9Confident93.1Very high119 Ų11954.3 Ų54.377%0.77329%0.294SS*.THydrogen-bonded Turntrans-55.5-25.1172.7-27.335.8000114.1G318P316-G318 PolarHBondContact O-N 3.33Å
317N85.2Confident93.1Very high147 Ų14748.1 Ų48.179%0.78627%0.271SS*.THydrogen-bonded Turntrans-78.70.4173.8-64.3-19.8000113.1S315 V319S315-N317 PolarHBondContact O-N 2.8Å; N317-V319 HydrophobicContact CB-CG2 4.35Å
318G85.9Confident92.8Very high16 Ų1647 Ų4717%0.16526%0.263CS..SBendtrans79.716.5175.100000115.1S315 P316 L323 R383S315-G318 WeakPolarHBondContact O-CA 3.41Å; S315-G318 PolarHBondContact O-N 2.73Å; P316-G318 PolarHBondContact O-N 3.33Å; G318-L323 WeakPolarHBondContact O-CD1 3.29Å; G318-R383 PolarHBondContact O-NH2 3.45Å
319V87.9Confident92.7Very high62 Ų6242.7 Ų42.738%0.37624%0.235SC..  trans-132.8155.7-173.3-62.50000113S315 N317S315-V319 WeakPolarHBondContact CB-O 3.48Å; S315-V319 PolarHBondContact N-O 3.11Å; S315-V319 PolarHBondContact OG-N 2.94Å; S315-V319 PolarHBondContact OG-O 2.95Å; N317-V319 HydrophobicContact CB-CG2 4.35Å
320N94.3Very high92.7Very high18 Ų1835.4 Ų35.410%0.09620%0.196CC..  trans-146-179.1168.263.619.8000108.9H312 Y313 Y322 L323 T324 Y382H312-N320 PolarHBondContact O-ND2 2.76Å; Y313-N320 WeakPolarHBondContact O-CB 3.21Å; N320-Y322 PolarHBondContact O-N 3.45Å; N320-Y322 WeakPolarHBondContact OD1-CB 3.45Å; N320-Y322 PolarHBondContact OD1-N 3.09Å; N320-L323 PolarHBondContact O-N 2.75Å; N320-L323 WeakPolarHBondContact OD1-CB 3.19Å; N320-L323 WeakPolarHBondContact OD1-CG 3.35Å; N320-L323 PolarHBondContact OD1-N 2.85Å; N320-T324 WeakPolarHBondContact O-CB 3.14Å; N320-T324 PolarHBondContact O-N 3.33Å; N320-T324 PolarHBondContact O-OG1 3.3Å; N320-Y382 PolarHBondContact ND2-OH 3.18Å
321E94.1Very high92.5Very high35 Ų3538.1 Ų38.116%0.16421%0.209CC..Hα-helixtrans-63.3-40.2-178.1-61.1-162.6167.200112.3L323 T324 A325 V456 G457 F492 Q496E321-L323 PolarHBondContact O-N 2.96Å; E321-T324 PolarHBondContact O-N 3.47Å; E321-A325 PolarHBondContact O-N 2.99Å; E321-V456 HydrophobicContact CB-CB 3.94Å; E321-V456 HydrophobicContact CB-CG1 3.71Å; E321-V456 WeakPolarHBondContact OE2-CA 3.4Å; E321-V456 WeakPolarHBondContact OE2-CB 3.3Å; E321-G457 PolarHBondContact OE2-N 3.41Å; E321-F492 HydrophobicContact CB-CD1 3.97Å; E321-F492 HydrophobicContact CB-CE1 3.94Å; E321-F492 HydrophobicContact CB-CG 4.4Å; E321-F492 HydrophobicContact CB-CZ 4.32Å; E321-F492 HydrophobicContact CG-CD1 3.78Å; E321-F492 HydrophobicContact CG-CE1 3.61Å; E321-F492 HydrophobicContact CG-CZ 4.36Å; E321-F492 WeakPolarHBondContact OE2-CD1 3.35Å; E321-Q496 PolarHBondContact OE1-NE2 3.25Å
322Y96.6Very high92.3Very high0 Ų036.3 Ų36.30%020%0.2CC..Hα-helixtrans-55.8-53.3174.2-76.5-89.9000112.6V296 D297 N302 L311 H312 N320 T324 A325 L326 I426 V456V296-Y322 HydrophobicContact CG1-CD1 3.72Å; V296-Y322 HydrophobicContact CG1-CE1 3.86Å; D297-Y322 HydrophobicContact CB-CE1 4.3Å; D297-Y322 PolarHBondContact O-OH 3.29Å; N302-Y322 PolarHBondContact ND2-OH 3.36Å; N302-Y322 WeakPolarHBondContact OD1-CE2 3.19Å; N302-Y322 PolarHBondContact OD1-OH 2.94Å; L311-Y322 HydrophobicContact CB-CE2 3.95Å; H312-Y322 AromaticContact CE1-CD2 3.83Å; H312-Y322 AromaticContact CE1-CE1 3.88Å; H312-Y322 AromaticContact CE1-CE2 3.52Å; H312-Y322 AromaticContact CE1-CZ 3.57Å; H312-Y322 AromaticContact ND1-CD2 3.62Å; H312-Y322 AromaticContact ND1-CE2 3.66Å; N320-Y322 PolarHBondContact O-N 3.45Å; N320-Y322 WeakPolarHBondContact OD1-CB 3.45Å; N320-Y322 PolarHBondContact OD1-N 3.09Å; Y322-T324 VanDerWaalsContact C-N 3.25Å; Y322-T324 PolarHBondContact O-N 3.01Å; Y322-A325 PolarHBondContact O-N 3.1Å; Y322-L326 VanDerWaalsContact O-CG 3.31Å; Y322-L326 WeakPolarHBondContact O-CG 3.16Å; Y322-L326 PolarHBondContact O-N 3.03Å; Y322-I426 HydrophobicContact CD1-CB 3.83Å; Y322-I426 HydrophobicContact CD1-CG2 3.36Å; Y322-I426 HydrophobicContact CE1-CB 4.01Å; Y322-I426 HydrophobicContact CE1-CG2 3.62Å; Y322-I426 HydrophobicContact CG-CG2 4.13Å; Y322-V456 HydrophobicContact CD2-CG2 4.08Å; Y322-V456 HydrophobicContact CE1-CG2 4.18Å; Y322-V456 HydrophobicContact CE2-CG2 3.51Å
323L95.2Very high92Very high0 Ų036.3 Ų36.30%020%0.2CC..Hα-helixtrans-62.6-35.1178.8-73.1173.8000111.6G318 N320 E321 L326 W327 V379 Y382G318-L323 WeakPolarHBondContact O-CD1 3.29Å; N320-L323 PolarHBondContact O-N 2.75Å; N320-L323 WeakPolarHBondContact OD1-CB 3.19Å; N320-L323 WeakPolarHBondContact OD1-CG 3.35Å; N320-L323 PolarHBondContact OD1-N 2.85Å; E321-L323 PolarHBondContact O-N 2.96Å; L323-L326 HydrophobicContact CD2-CD1 4.35Å; L323-L326 PolarHBondContact O-N 3.04Å; L323-W327 PolarHBondContact O-N 3.3Å; L323-V379 HydrophobicContact CD2-CB 4.25Å; L323-V379 HydrophobicContact CD2-CG1 3.77Å; L323-V379 HydrophobicContact CD2-CG2 3.92Å; L323-Y382 HydrophobicContact CD1-CD1 4.48Å; L323-Y382 HydrophobicContact CD1-CE1 4.22Å; L323-Y382 HydrophobicContact CD2-CD1 3.68Å; L323-Y382 HydrophobicContact CD2-CE1 4.08Å; L323-Y382 HydrophobicContact CD2-CG 4.32Å; L323-Y382 HydrophobicContact CG-CD1 4.12Å; L323-Y382 HydrophobicContact CG-CE1 3.98Å
324T92.7Very high91.9Very high48 Ų4834.6 Ų34.629%0.29420%0.195SC..Hα-helixtrans-69.2-45179.1-55.10000110.6N320 E321 Y322 L326 W327 S328 F492N320-T324 WeakPolarHBondContact O-CB 3.14Å; N320-T324 PolarHBondContact O-N 3.33Å; N320-T324 PolarHBondContact O-OG1 3.3Å; E321-T324 PolarHBondContact O-N 3.47Å; Y322-T324 VanDerWaalsContact C-N 3.25Å; Y322-T324 PolarHBondContact O-N 3.01Å; T324-L326 PolarHBondContact O-N 3.49Å; T324-W327 PolarHBondContact O-N 3.24Å; T324-S328 WeakPolarHBondContact O-CB 3.45Å; T324-S328 PolarHBondContact O-N 3.45Å; T324-S328 PolarHBondContact O-OG 3.21Å; T324-F492 HydrophobicContact CG2-CE2 3.83Å; T324-F492 HydrophobicContact CG2-CZ 3.69Å
325A93.8Very high91.9Very high0 Ų032.3 Ų32.30%018%0.183CC..Hα-helixtrans-60-44.3173.100000112.2E321 Y322 W327 S328 V329 I426 V454 F492 L503E321-A325 PolarHBondContact O-N 2.99Å; Y322-A325 PolarHBondContact O-N 3.1Å; A325-W327 PolarHBondContact O-N 3.39Å; A325-S328 PolarHBondContact O-N 2.91Å; A325-V329 WeakPolarHBondContact O-CG2 3.2Å; A325-V329 PolarHBondContact O-N 2.99Å; A325-I426 HydrophobicContact CB-CD1 3.93Å; A325-I426 HydrophobicContact CB-CG1 4.45Å; A325-I426 HydrophobicContact CB-CG2 4.47Å; A325-V454 HydrophobicContact CB-CB 4.43Å; A325-V454 HydrophobicContact CB-CG1 3.87Å; A325-F492 HydrophobicContact CB-CD2 4.37Å; A325-L503 HydrophobicContact CB-CD2 4.34Å
326L94.9Very high92.1Very high3 Ų331.2 Ų31.22%0.01617%0.174CC..Hα-helixtrans-57.9-46.8175.6-72.7172.3000112.3V294 Y322 L323 T324 G330 I378 L424 I426V294-L326 HydrophobicContact CB-CD2 4.42Å; V294-L326 HydrophobicContact CG1-CD2 3.43Å; V294-L326 VanDerWaalsContact CG1-CD2 3.43Å; V294-L326 HydrophobicContact CG2-CD2 4.11Å; Y322-L326 VanDerWaalsContact O-CG 3.31Å; Y322-L326 WeakPolarHBondContact O-CG 3.16Å; Y322-L326 PolarHBondContact O-N 3.03Å; L323-L326 HydrophobicContact CD2-CD1 4.35Å; L323-L326 PolarHBondContact O-N 3.04Å; T324-L326 PolarHBondContact O-N 3.49Å; L326-G330 VanDerWaalsContact O-CA 3.3Å; L326-G330 WeakPolarHBondContact O-CA 3.4Å; L326-G330 PolarHBondContact O-N 3.2Å; L326-I378 HydrophobicContact CD1-CG2 4.35Å; L326-I378 HydrophobicContact CD2-CG2 4.28Å; L326-L424 HydrophobicContact CD2-CD2 4.23Å; L326-I426 HydrophobicContact CD2-CD1 3.57Å; L326-I426 HydrophobicContact CG-CD1 3.58Å
327W92.8Very high92.3Very high71 Ų7125.9 Ų25.927%0.26914%0.14SC..Hα-helixtrans-66.1-47.1177.5-79.5119.4000112L323 T324 A325 V329 L331 I375 Q376 V379L323-W327 PolarHBondContact O-N 3.3Å; T324-W327 PolarHBondContact O-N 3.24Å; A325-W327 PolarHBondContact O-N 3.39Å; W327-V329 PolarHBondContact O-N 3.47Å; W327-L331 HydrophobicContact CE3-CD1 3.89Å; W327-L331 HydrophobicContact CE3-CD2 3.73Å; W327-L331 HydrophobicContact CE3-CG 3.72Å; W327-L331 HydrophobicContact CZ3-CD2 3.74Å; W327-L331 HydrophobicContact CZ3-CG 4.27Å; W327-L331 VanDerWaalsContact O-CB 3.23Å; W327-L331 WeakPolarHBondContact O-CB 3.37Å; W327-L331 WeakPolarHBondContact O-CD1 3.21Å; W327-L331 WeakPolarHBondContact O-CG 3.26Å; W327-L331 PolarHBondContact O-N 2.99Å; W327-I375 HydrophobicContact CD2-CG2 4.1Å; W327-I375 HydrophobicContact CE3-CB 4.22Å; W327-I375 HydrophobicContact CE3-CG2 3.55Å; W327-I375 HydrophobicContact CH2-CG2 4.37Å; W327-I375 HydrophobicContact CZ3-CB 3.94Å; W327-I375 HydrophobicContact CZ3-CG2 3.71Å; W327-Q376 HydrophobicContact CH2-CB 4.18Å; W327-Q376 VanDerWaalsContact CH2-OE1 3.24Å; W327-V379 HydrophobicContact CD2-CG2 4.49Å; W327-V379 HydrophobicContact CZ2-CB 4.34Å; W327-V379 HydrophobicContact CZ2-CG1 4.47Å; W327-V379 HydrophobicContact CZ2-CG2 3.88Å
328S90.7Very high92.3Very high18 Ų1822.3 Ų22.313%0.12613%0.13CC..Hα-helixtrans-60.8-48.2-176.7-72.10000112.2T324 A325 K500 A504T324-S328 WeakPolarHBondContact O-CB 3.45Å; T324-S328 PolarHBondContact O-N 3.45Å; T324-S328 PolarHBondContact O-OG 3.21Å; A325-S328 PolarHBondContact O-N 2.91Å; S328-K500 PolarHBondContact OG-O 3.42Å; S328-A504 WeakPolarHBondContact O-CB 3.22Å
329V91.6Very high92.5Very high0 Ų026.4 Ų26.40%015%0.148CC..Hα-helixtrans-78.6-47.1-178.3-177.80000110.8F292 A325 W327 L331 V332 I333 L424 I452 V507 L508F292-V329 HydrophobicContact CE2-CG1 4.34Å; F292-V329 HydrophobicContact CZ-CG1 4.29Å; A325-V329 WeakPolarHBondContact O-CG2 3.2Å; A325-V329 PolarHBondContact O-N 2.99Å; W327-V329 PolarHBondContact O-N 3.47Å; V329-L331 PolarHBondContact O-N 3.15Å; V329-V332 PolarHBondContact O-N 3.15Å; V329-I333 PolarHBondContact O-N 2.78Å; V329-L424 HydrophobicContact CB-CD2 4.03Å; V329-L424 HydrophobicContact CG1-CD2 4.12Å; V329-L424 HydrophobicContact CG2-CD1 4.48Å; V329-L424 HydrophobicContact CG2-CD2 4.41Å; V329-I452 HydrophobicContact CG1-CD1 4.4Å; V329-V507 HydrophobicContact CG1-CG1 4.12Å; V329-V507 HydrophobicContact CG2-CB 4.19Å; V329-V507 HydrophobicContact CG2-CG1 3.57Å; V329-V507 HydrophobicContact CG2-CG2 4.41Å; V329-L508 HydrophobicContact CG1-CD2 4.06Å; V329-L508 HydrophobicContact CG1-CG 4.5Å
330G93.3Very high92.8Very high0 Ų026 Ų260%014%0.142CC..Hα-helixtrans-63.4-38.7-173.900000113.4L326 V332 I333 Q334 I375L326-G330 VanDerWaalsContact O-CA 3.3Å; L326-G330 WeakPolarHBondContact O-CA 3.4Å; L326-G330 PolarHBondContact O-N 3.2Å; G330-V332 PolarHBondContact O-N 2.9Å; G330-I333 PolarHBondContact O-N 3.37Å; G330-Q334 VanDerWaalsContact O-CB 3.31Å; G330-Q334 WeakPolarHBondContact O-CB 3.41Å; G330-Q334 VanDerWaalsContact O-CG 3.29Å; G330-Q334 WeakPolarHBondContact O-CG 3.31Å; G330-Q334 PolarHBondContact O-N 2.89Å; G330-Q334 VanDerWaalsContact O-N 3.07Å; G330-I375 VanDerWaalsContact C-CG1 3.43Å; G330-I375 WeakPolarHBondContact O-CG1 3.18Å
331L92.3Very high92.9Very high65 Ų6528 Ų2834%0.3415%0.151SC..Hα-helixtrans-64.7-29.9-177.1-75.8174.5000113.2V72 W327 V329 Q334V72-L331 HydrophobicContact CG2-CB 4.12Å; W327-L331 HydrophobicContact CE3-CD1 3.89Å; W327-L331 HydrophobicContact CE3-CD2 3.73Å; W327-L331 HydrophobicContact CE3-CG 3.72Å; W327-L331 HydrophobicContact CZ3-CD2 3.74Å; W327-L331 HydrophobicContact CZ3-CG 4.27Å; W327-L331 VanDerWaalsContact O-CB 3.23Å; W327-L331 WeakPolarHBondContact O-CB 3.37Å; W327-L331 WeakPolarHBondContact O-CD1 3.21Å; W327-L331 WeakPolarHBondContact O-CG 3.26Å; W327-L331 PolarHBondContact O-N 2.99Å; V329-L331 PolarHBondContact O-N 3.15Å; L331-Q334 WeakPolarHBondContact O-CG 3.36Å; L331-Q334 PolarHBondContact O-NE2 3.5Å
332V92.4Very high93.1Very high6 Ų626.3 Ų26.34%0.03614%0.143CC..Hα-helixtrans-78.5-53.9177.2178.70000110F69 V72 V329 G330 Q334 D335 Y336 A504 L508F69-V332 WeakPolarHBondContact O-CG1 3.25Å; V72-V332 HydrophobicContact CG2-CB 4.43Å; V72-V332 HydrophobicContact CG2-CG2 3.64Å; V329-V332 PolarHBondContact O-N 3.15Å; G330-V332 PolarHBondContact O-N 2.9Å; V332-Q334 VanDerWaalsContact C-N 3.32Å; V332-Q334 PolarHBondContact O-N 3.49Å; V332-D335 PolarHBondContact O-N 3.41Å; V332-Y336 WeakPolarHBondContact O-CD2 3.24Å; V332-Y336 WeakPolarHBondContact O-CE2 3.44Å; V332-A504 HydrophobicContact CG2-CB 4.09Å; V332-L508 HydrophobicContact CB-CD1 3.49Å; V332-L508 VanDerWaalsContact CB-CD1 3.49Å; V332-L508 HydrophobicContact CG1-CD1 3.44Å; V332-L508 VanDerWaalsContact CG1-CD1 3.44Å; V332-L508 HydrophobicContact CG2-CD1 3.99Å
333I91.9Very high93.1Very high0 Ų026.9 Ų26.90%015%0.147CC..Hα-helixtrans-69.9-29.6-169.9-155.2166.5000113.1F292 V329 G330 D335 Y336 V422F292-I333 HydrophobicContact CB-CD1 4.47Å; F292-I333 HydrophobicContact CB-CG2 4Å; F292-I333 HydrophobicContact CD1-CG2 3.64Å; F292-I333 HydrophobicContact CD2-CD1 3.77Å; F292-I333 HydrophobicContact CD2-CG2 3.68Å; F292-I333 HydrophobicContact CE1-CG2 3.92Å; F292-I333 HydrophobicContact CE2-CD1 4.32Å; F292-I333 HydrophobicContact CE2-CG2 3.94Å; F292-I333 HydrophobicContact CG-CD1 4.36Å; F292-I333 HydrophobicContact CG-CG2 3.5Å; F292-I333 HydrophobicContact CZ-CG2 4.05Å; V329-I333 PolarHBondContact O-N 2.78Å; G330-I333 PolarHBondContact O-N 3.37Å; I333-D335 PolarHBondContact O-N 3.45Å; I333-Y336 PolarHBondContact O-N 3.39Å; I333-V422 HydrophobicContact CD1-CB 3.65Å; I333-V422 HydrophobicContact CD1-CG1 3.62Å; I333-V422 HydrophobicContact CD1-CG2 3.84Å
334Q94.1Very high93.3Very high32 Ų3226.9 Ų26.915%0.1515%0.147CC..G310 helixtrans-61.3-18.2-177.367.3172.6-33.800114.3G330 L331 V332 K340 F342 I375G330-Q334 VanDerWaalsContact O-CB 3.31Å; G330-Q334 WeakPolarHBondContact O-CB 3.41Å; G330-Q334 VanDerWaalsContact O-CG 3.29Å; G330-Q334 WeakPolarHBondContact O-CG 3.31Å; G330-Q334 PolarHBondContact O-N 2.89Å; G330-Q334 VanDerWaalsContact O-N 3.07Å; L331-Q334 WeakPolarHBondContact O-CG 3.36Å; L331-Q334 PolarHBondContact O-NE2 3.5Å; V332-Q334 VanDerWaalsContact C-N 3.32Å; V332-Q334 PolarHBondContact O-N 3.49Å; Q334-K340 PolarHBondContact O-NZ 3.49Å; Q334-F342 HydrophobicContact CB-CE2 3.74Å; Q334-F342 HydrophobicContact CB-CZ 3.59Å; Q334-I375 HydrophobicContact CB-CG1 4.37Å
335D94Very high93.6Very high10 Ų1025 Ų255%0.05314%0.135CC..G310 helixtrans-78-13.4178.8-76.6-21.3000112.6T101 Q104 S107 V332 I333 K340T101-D335 WeakPolarHBondContact CB-OD2 3.35Å; T101-D335 PolarHBondContact OG1-OD2 3.18Å; Q104-D335 HydrophobicContact CG-CB 4.18Å; Q104-D335 VanDerWaalsContact CG-OD1 3.32Å; Q104-D335 WeakPolarHBondContact CG-OD1 3.49Å; Q104-D335 PolarHBondContact NE2-OD1 3.33Å; S107-D335 WeakPolarHBondContact CB-O 3.5Å; S107-D335 PolarHBondContact OG-O 3.03Å; V332-D335 PolarHBondContact O-N 3.41Å; I333-D335 PolarHBondContact O-N 3.45Å; D335-K340 IonicContact OD1-NZ 2.67Å; D335-K340 PolarHBondContact OD1-NZ 3.34Å
336Y93.6Very high93.8Very high5 Ų525 Ų252%0.0214%0.135CC..G310 helixtrans-101.45.1178.3-53.2-83.8000113Y67 F69 V106 F280 I284 L290 V332 I333Y67-Y336 WeakPolarHBondContact CE2-OH 3.49Å; Y67-Y336 VanDerWaalsContact OH-CE1 3.26Å; Y67-Y336 WeakPolarHBondContact OH-CE1 3.32Å; Y67-Y336 VanDerWaalsContact OH-CZ 3.24Å; Y67-Y336 PolarHBondContact OH-OH 3.45Å; F69-Y336 HydrophobicContact CD2-CD2 4.33Å; F69-Y336 HydrophobicContact CD2-CE1 4.19Å; F69-Y336 AromaticContact CD2-CE2 3.69Å; F69-Y336 HydrophobicContact CD2-CE2 3.69Å; F69-Y336 AromaticContact CD2-CZ 3.62Å; F69-Y336 AromaticContact CE2-CD2 3.71Å; F69-Y336 HydrophobicContact CE2-CD2 3.71Å; F69-Y336 HydrophobicContact CE2-CE1 4.35Å; F69-Y336 AromaticContact CE2-CE2 3.5Å; F69-Y336 HydrophobicContact CE2-CE2 3.5Å; F69-Y336 HydrophobicContact CE2-CG 4.22Å; F69-Y336 AromaticContact CE2-CZ 3.86Å; V106-Y336 HydrophobicContact CG2-CE1 4.06Å; F280-Y336 HydrophobicContact CE1-CE1 4.38Å; I284-Y336 HydrophobicContact CD1-CD1 4.13Å; I284-Y336 HydrophobicContact CG1-CD1 4.21Å; I284-Y336 HydrophobicContact CG2-CD1 3.84Å; I284-Y336 HydrophobicContact CG2-CE1 4.29Å; L290-Y336 HydrophobicContact CD1-CG 4.17Å; L290-Y336 PolarHBondContact N-O 3.22Å; V332-Y336 WeakPolarHBondContact O-CD2 3.24Å; V332-Y336 WeakPolarHBondContact O-CE2 3.44Å; I333-Y336 PolarHBondContact O-N 3.39Å
337D91.4Very high93.9Very high8 Ų825 Ų254%0.04314%0.135CC..  trans-108.5133169.1-168.4-61.2000109.1D339 K340 F342D337-D339 PolarHBondContact OD1-N 3.34Å; D337-K340 PolarHBondContact OD1-N 3.49Å; D337-F342 HydrophobicContact CB-CE1 3.6Å; D337-F342 HydrophobicContact CB-CZ 3.96Å
338A85.8Confident94.1Very high71 Ų7121.6 Ų21.659%0.58712%0.122SC*.SBendtrans-81.3-34.9-172.100000113.7
339D89.5Confident94.4Very high102 Ų10220.7 Ų20.755%0.54512%0.116SC..SBendtrans-97-17.1-179.26920.6000112.3D337 M341D337-D339 PolarHBondContact OD1-N 3.34Å; D339-M341 HydrophobicContact CB-CG 4.26Å; D339-M341 PolarHBondContact O-N 2.67Å; D339-M341 WeakPolarHBondContact OD1-CB 3.35Å; D339-M341 PolarHBondContact OD1-N 2.78Å
340K94.5Very high94.7Very high54 Ų5422.8 Ų22.824%0.23513%0.126CC..  trans5728.6-178.8-58.6175.5174.4-800111.8Q334 D335 D337 F342 G374Q334-K340 PolarHBondContact O-NZ 3.49Å; D335-K340 IonicContact OD1-NZ 2.67Å; D335-K340 PolarHBondContact OD1-NZ 3.34Å; D337-K340 PolarHBondContact OD1-N 3.49Å; K340-F342 HydrophobicContact CB-CE2 4.21Å; K340-F342 HydrophobicContact CB-CZ 4.12Å; K340-G374 WeakPolarHBondContact O-CA 3.47Å; K340-G374 PolarHBondContact O-N 2.99Å
341M96.4Very high94.8Very high59 Ų5924.7 Ų24.729%0.29114%0.135SC..EExtended strand (participates in β ladder)trans-97.6114.1175-64.6-61.1-59.700108.1D339 Y371 C372 N373D339-M341 HydrophobicContact CB-CG 4.26Å; D339-M341 PolarHBondContact O-N 2.67Å; D339-M341 WeakPolarHBondContact OD1-CB 3.35Å; D339-M341 PolarHBondContact OD1-N 2.78Å; M341-Y371 HydrophobicContact CB-CD1 3.87Å; M341-Y371 HydrophobicContact CB-CG 4.44Å; M341-Y371 VanDerWaalsContact O-CD1 3.3Å; M341-Y371 WeakPolarHBondContact O-CD1 3.37Å; M341-C372 WeakPolarHBondContact CA-O 3.38Å; M341-N373 HydrophobicContact SD-CB 4.04Å
342F97.4Very high94.7Very high0 Ų023.8 Ų23.80%013%0.133CC..EExtended strand (participates in β ladder)trans-116.6121-172-56.7-53.4000111.5F292 Q334 D337 K340 C372 I375 I378F292-F342 HydrophobicContact CB-CD1 3.72Å; F292-F342 HydrophobicContact CB-CE1 3.85Å; F292-F342 HydrophobicContact CD1-CD1 4.13Å; F292-F342 HydrophobicContact CD1-CE1 4.48Å; F292-F342 HydrophobicContact CD1-CG 4.19Å; F292-F342 HydrophobicContact CG-CD1 4.43Å; F292-F342 WeakPolarHBondContact O-CD1 3.49Å; Q334-F342 HydrophobicContact CB-CE2 3.74Å; Q334-F342 HydrophobicContact CB-CZ 3.59Å; D337-F342 HydrophobicContact CB-CE1 3.6Å; D337-F342 HydrophobicContact CB-CZ 3.96Å; K340-F342 HydrophobicContact CB-CE2 4.21Å; K340-F342 HydrophobicContact CB-CZ 4.12Å; F342-C372 PolarHBondContact N-O 3.35Å; F342-C372 PolarHBondContact O-N 2.86Å; F342-I375 HydrophobicContact CD2-CD1 3.99Å; F342-I375 HydrophobicContact CE2-CD1 3.98Å; F342-I378 HydrophobicContact CB-CD1 3.71Å; F342-I378 HydrophobicContact CB-CG1 4.26Å; F342-I378 HydrophobicContact CD2-CD1 4.19Å; F342-I378 HydrophobicContact CG-CD1 4.3Å
343P97.8Very high94.7Very high13 Ų1328.2 Ų28.28%0.08416%0.162CC..EExtended strand (participates in β ladder)trans-68.8133.5171.431-34.9000109.9F292 T293 V294 F345 P370 Y371F292-P343 WeakPolarHBondContact O-CD 3.37Å; T293-P343 HydrophobicContact CG2-CG 4.05Å; T293-P343 WeakPolarHBondContact OG1-CG 3.35Å; V294-P343 PolarHBondContact N-O 3.37Å; V294-P343 VanDerWaalsContact N-O 3.1Å; P343-F345 HydrophobicContact CB-CE2 3.74Å; P343-F345 HydrophobicContact CB-CZ 4.23Å; P343-P370 WeakPolarHBondContact CA-O 3.08Å; P343-P370 HydrophobicContact CB-CB 4.3Å; P343-P370 HydrophobicContact CB-CG 4.1Å; P343-Y371 HydrophobicContact CB-CD1 4.43Å; P343-Y371 HydrophobicContact CB-CE1 4.41Å; P343-Y371 HydrophobicContact CG-CD1 4.47Å; P343-Y371 HydrophobicContact CG-CE1 4.15Å
344A98.2Very high94.7Very high0 Ų034.7 Ų34.70%019%0.193CC..EExtended strand (participates in β ladder)trans-135.4119.9-173.800000110.7V294 M363 P370 I378V294-A344 HydrophobicContact CB-CB 4.4Å; A344-M363 HydrophobicContact CB-CE 3.33Å; A344-M363 PolarHBondContact O-N 3.2Å; A344-P370 PolarHBondContact N-O 2.94Å; A344-I378 HydrophobicContact CB-CB 4.48Å; A344-I378 HydrophobicContact CB-CG1 4.07Å; A344-I378 HydrophobicContact CB-CG2 3.96Å
345F98.6Very high94.7Very high8 Ų837.6 Ų37.64%0.03520%0.202CC..EExtended strand (participates in β ladder)trans-120.6148.3-171.1-60.8-85000111.6T293 V294 G295 V296 P343 E360 F361 P362 P370 I400 H403T293-F345 HydrophobicContact CG2-CD2 3.98Å; T293-F345 HydrophobicContact CG2-CE2 4.06Å; V294-F345 PolarHBondContact O-N 3.21Å; G295-F345 CarbonylContact C-O 3.57Å; G295-F345 WeakPolarHBondContact CA-O 3.46Å; V296-F345 PolarHBondContact N-O 2.61Å; P343-F345 HydrophobicContact CB-CE2 3.74Å; P343-F345 HydrophobicContact CB-CZ 4.23Å; F345-E360 HydrophobicContact CD1-CG 4.05Å; F345-E360 HydrophobicContact CG-CG 4.37Å; F345-F361 CarbonylContact C-O 3.57Å; F345-F361 WeakPolarHBondContact CA-O 3.19Å; F345-P362 HydrophobicContact CD1-CB 4.42Å; F345-P362 HydrophobicContact CE1-CB 4.37Å; F345-P370 HydrophobicContact CE1-CB 3.88Å; F345-P370 HydrophobicContact CE1-CG 4.43Å; F345-P370 HydrophobicContact CZ-CB 3.75Å; F345-P370 HydrophobicContact CZ-CG 3.94Å; F345-I400 HydrophobicContact CB-CD1 3.86Å; F345-I400 HydrophobicContact CD2-CD1 3.65Å; F345-I400 HydrophobicContact CE2-CD1 4.39Å; F345-I400 HydrophobicContact CG-CD1 3.89Å; F345-H403 AromaticContact CE1-CE1 3.92Å; F345-H403 AromaticContact CE2-NE2 3.77Å; F345-H403 AromaticContact CZ-CE1 3.42Å; F345-H403 VanDerWaalsContact CZ-CE1 3.42Å; F345-H403 WeakPolarHBondContact CZ-CE1 3.37Å; F345-H403 AromaticContact CZ-NE2 3.49Å; F345-H403 WeakPolarHBondContact CZ-NE2 3.5Å
346G98Very high94.7Very high1 Ų143.9 Ų43.91%0.0123%0.231CC..EExtended strand (participates in β ladder)trans-102.9157.9163.600000111.3V296 E360 F361V296-G346 CarbonylContact O-C 3.57Å; V296-G346 VanDerWaalsContact O-CA 3.25Å; V296-G346 WeakPolarHBondContact O-CA 3.38Å; G346-E360 CarbonylContact O-C 3.58Å; G346-E360 WeakPolarHBondContact O-CA 3.34Å; G346-F361 PolarHBondContact N-O 2.81Å; G346-F361 WeakPolarHBondContact O-CD1 3.42Å; G346-F361 WeakPolarHBondContact O-CE1 3.1Å; G346-F361 PolarHBondContact O-N 3Å
347F97.6Very high94.7Very high1 Ų146.1 Ų46.10%0.00425%0.245CC..EExtended strand (participates in β ladder)trans-143.6153.3171.661.1-92.7000112.2V296 D297 F298 H359 T395 F397 I425V296-F347 VanDerWaalsContact C-CE1 3.43Å; V296-F347 WeakPolarHBondContact O-CD1 3.44Å; V296-F347 PolarHBondContact O-N 2.89Å; D297-F347 VanDerWaalsContact CA-CZ 3.48Å; D297-F347 HydrophobicContact CB-CE1 4.25Å; D297-F347 HydrophobicContact CB-CE2 3.64Å; D297-F347 HydrophobicContact CB-CZ 3.5Å; D297-F347 VanDerWaalsContact CB-CZ 3.5Å; F298-F347 PolarHBondContact N-O 2.93Å; F347-H359 VanDerWaalsContact CB-C 3.49Å; F347-H359 WeakPolarHBondContact CB-O 3.34Å; F347-T395 HydrophobicContact CE2-CG2 3.98Å; F347-F397 AromaticContact CE2-CD1 3.85Å; F347-F397 HydrophobicContact CE2-CD1 3.85Å; F347-F397 AromaticContact CE2-CE1 3.67Å; F347-F397 HydrophobicContact CE2-CE1 3.67Å; F347-F397 AromaticContact CZ-CD1 3.85Å; F347-F397 HydrophobicContact CZ-CD1 3.85Å; F347-F397 AromaticContact CZ-CE1 3.58Å; F347-F397 HydrophobicContact CZ-CE1 3.58Å; F347-I425 HydrophobicContact CE1-CG2 4.03Å; F347-I425 HydrophobicContact CZ-CG2 3.89Å
348G96.5Very high94.9Very high0 Ų046.8 Ų46.80%025%0.25CS..SBendtrans83.322.2174.900000115.1S358 Y392 G393G348-S358 PolarHBondContact N-O 2.79Å; G348-Y392 CarbonylContact O-C 3.53Å; G348-Y392 WeakPolarHBondContact O-CA 3.31Å; G348-Y392 PolarHBondContact O-N 2.95Å; G348-Y392 VanDerWaalsContact O-N 3.08Å; G348-G393 PolarHBondContact O-N 2.82Å
349A97.4Very high95.3Very high0 Ų045.5 Ų45.50%023%0.232CC..EExtended strand (participates in β ladder)trans-124.2156.2-17900000112.5F298 V357 S358 F361 I389 K390F298-A349 HydrophobicContact CB-CB 3.82Å; A349-V357 WeakPolarHBondContact O-CA 3.48Å; A349-S358 PolarHBondContact N-O 2.8Å; A349-S358 PolarHBondContact O-N 2.81Å; A349-F361 HydrophobicContact CB-CE1 3.89Å; A349-F361 HydrophobicContact CB-CZ 4.1Å; A349-I389 HydrophobicContact CB-CB 4.25Å; A349-I389 HydrophobicContact CB-CD1 3.84Å; A349-I389 HydrophobicContact CB-CG1 4.39Å; A349-K390 CarbonylContact C-O 3.37Å; A349-K390 WeakPolarHBondContact CA-O 3.27Å; A349-K390 WeakPolarHBondContact CB-O 3.41Å
350Q97.6Very high95.6Very high44 Ų4443.2 Ų43.221%0.20622%0.218CC..EExtended strand (participates in β ladder)trans-84.1125.4165.2-66.1178.1-25.900110W355 Q356 V357 K390 Y392Q350-W355 HydrophobicContact CB-CB 4.43Å; Q350-W355 HydrophobicContact CB-CE3 4.16Å; Q350-W355 WeakPolarHBondContact CG-O 3.46Å; Q350-Q356 WeakPolarHBondContact CA-O 3.43Å; Q350-V357 HydrophobicContact CG-CG2 3.99Å; Q350-K390 HydrophobicContact CB-CB 4.21Å; Q350-K390 PolarHBondContact N-O 3.46Å; Q350-K390 PolarHBondContact O-N 2.96Å; Q350-Y392 HydrophobicContact CG-CD1 4.38Å; Q350-Y392 HydrophobicContact CG-CD2 4.43Å; Q350-Y392 HydrophobicContact CG-CG 4.03Å
351I95.3Very high95.8Very high40 Ų4040.9 Ų40.921%0.20521%0.208CC..EExtended strand (participates in β ladder)trans-107.3139-176.243.7174.3000112.1W355 Q356 S358 F361 F365 I389I351-W355 WeakPolarHBondContact O-CA 3.47Å; I351-W355 PolarHBondContact O-N 2.8Å; I351-Q356 PolarHBondContact N-O 2.95Å; I351-S358 VanDerWaalsContact CD1-CB 3.45Å; I351-F361 HydrophobicContact CD1-CB 3.92Å; I351-F361 HydrophobicContact CD1-CG 4.38Å; I351-F361 HydrophobicContact CG2-CB 4.3Å; I351-F361 HydrophobicContact CG2-CD1 3.84Å; I351-F361 HydrophobicContact CG2-CD2 3.74Å; I351-F361 HydrophobicContact CG2-CE1 4.05Å; I351-F361 HydrophobicContact CG2-CE2 3.96Å; I351-F361 HydrophobicContact CG2-CG 3.68Å; I351-F361 HydrophobicContact CG2-CZ 4.11Å; I351-F365 HydrophobicContact CG2-CE1 4.47Å; I351-I389 HydrophobicContact CG2-CG2 3.97Å
352P91.5Very high95.8Very high45 Ų4538.9 Ų38.929%0.29220%0.2SC..THydrogen-bonded Turntrans-68.1160.9174.930.2-35.4000111.5W355 Q388P352-W355 HydrophobicContact CB-CH2 4.15Å; P352-W355 HydrophobicContact CB-CZ2 3.99Å; P352-Q388 WeakPolarHBondContact CD-O 3.32Å
353P91.4Very high95.8Very high100 Ų10038.9 Ų38.965%0.64920%0.2SC*.THydrogen-bonded Turncis-85.7-15.8-4.332.3-35.1000114.2W355P353-W355 VanDerWaalsContact C-N 3.35Å
354Q91.7Very high95.8Very high136 Ų13640.8 Ų40.864%0.63621%0.209SC*.THydrogen-bonded Turntrans-79.7-15.9-175.6-62.879.213.100113.7Q356Q354-Q356 HydrophobicContact CB-CG 4.08Å; Q354-Q356 PolarHBondContact O-N 2.94Å
355W94.1Very high95.7Very high93 Ų9344.3 Ų44.335%0.35223%0.225SC..THydrogen-bonded Turntrans56.431.8-176.4-57.9101.4000113.3Q350 I351 P352 P353 Q388 K390Q350-W355 HydrophobicContact CB-CB 4.43Å; Q350-W355 HydrophobicContact CB-CE3 4.16Å; Q350-W355 WeakPolarHBondContact CG-O 3.46Å; I351-W355 WeakPolarHBondContact O-CA 3.47Å; I351-W355 PolarHBondContact O-N 2.8Å; P352-W355 HydrophobicContact CB-CH2 4.15Å; P352-W355 HydrophobicContact CB-CZ2 3.99Å; P353-W355 VanDerWaalsContact C-N 3.35Å; W355-Q388 WeakPolarHBondContact CH2-O 3.48Å; W355-K390 HydrophobicContact CD2-CD 4.36Å; W355-K390 HydrophobicContact CE3-CD 3.7Å; W355-K390 HydrophobicContact CE3-CG 3.96Å; W355-K390 HydrophobicContact CH2-CG 4.39Å; W355-K390 HydrophobicContact CZ3-CB 4.34Å; W355-K390 HydrophobicContact CZ3-CD 3.84Å; W355-K390 HydrophobicContact CZ3-CG 3.63Å
356Q93.5Very high95.5Very high141 Ų14147.3 Ų47.366%0.65924%0.241SC*.EExtended strand (participates in β ladder)trans-78144.6170.5-70.2-178-2.300109.7Q350 I351 Q354 S358Q350-Q356 WeakPolarHBondContact CA-O 3.43Å; I351-Q356 PolarHBondContact N-O 2.95Å; Q354-Q356 HydrophobicContact CB-CG 4.08Å; Q354-Q356 PolarHBondContact O-N 2.94Å; Q356-S358 PolarHBondContact O-N 3.12Å
357V95Very high95.2Very high53 Ų5352.3 Ų52.332%0.32128%0.276SS..EExtended strand (participates in β ladder)trans-64.5127.5173.4-174.10000108.4A349 Q350 Y392 G393A349-V357 WeakPolarHBondContact O-CA 3.48Å; Q350-V357 HydrophobicContact CG-CG2 3.99Å; V357-Y392 HydrophobicContact CB-CD1 4.26Å; V357-Y392 HydrophobicContact CG1-CD1 4.03Å; V357-Y392 HydrophobicContact CG2-CD1 3.22Å; V357-Y392 HydrophobicContact CG2-CE1 3.44Å; V357-Y392 VanDerWaalsContact CG2-CE1 3.44Å; V357-Y392 HydrophobicContact CG2-CG 4.22Å; V357-G393 WeakPolarHBondContact CG1-O 3.42Å
358S95.8Very high95Very high21 Ų2158 Ų5815%0.14732%0.316CS..EExtended strand (participates in β ladder)trans-117.6132.4171.1-1790000110.3G348 A349 I351 Q356 E360G348-S358 PolarHBondContact N-O 2.79Å; A349-S358 PolarHBondContact N-O 2.8Å; A349-S358 PolarHBondContact O-N 2.81Å; I351-S358 VanDerWaalsContact CD1-CB 3.45Å; Q356-S358 PolarHBondContact O-N 3.12Å; S358-E360 VanDerWaalsContact C-N 3.34Å; S358-E360 PolarHBondContact OG-N 2.98Å; S358-E360 VanDerWaalsContact OG-N 3.11Å; S358-E360 PolarHBondContact OG-O 3.42Å
359H94.6Very high95Very high44 Ų4461.5 Ų61.520%0.20433%0.334CS..SBendtrans-97.49.8171.1-61.5-72.1000112.3F347 P394 N396 P399F347-H359 VanDerWaalsContact CB-C 3.49Å; F347-H359 WeakPolarHBondContact CB-O 3.34Å; H359-P394 PolarHBondContact CE1-O 2.8Å; H359-P394 PolarHBondContact ND1-O 2.75Å; H359-N396 HydrophobicContact CB-CB 4.44Å; H359-P399 HydrophobicContact CB-CB 4.39Å; H359-P399 HydrophobicContact CB-CG 3.85Å
360E95.8Very high94.9Very high55 Ų5562.5 Ų62.526%0.25734%0.341SS..SBendtrans-168.4114.7172.1-171-162.5115.900109.5F345 G346 S358 I400 H403F345-E360 HydrophobicContact CD1-CG 4.05Å; F345-E360 HydrophobicContact CG-CG 4.37Å; G346-E360 CarbonylContact O-C 3.58Å; G346-E360 WeakPolarHBondContact O-CA 3.34Å; S358-E360 VanDerWaalsContact C-N 3.34Å; S358-E360 PolarHBondContact OG-N 2.98Å; S358-E360 VanDerWaalsContact OG-N 3.11Å; S358-E360 PolarHBondContact OG-O 3.42Å; E360-I400 HydrophobicContact CG-CD1 4.16Å; E360-H403 IonicContact OE1-CE1 3.81Å; E360-H403 PolarHBondContact OE1-CE1 2.91Å; E360-H403 VanDerWaalsContact OE1-CE1 3.26Å; E360-H403 IonicContact OE1-CG 3.16Å; E360-H403 IonicContact OE1-ND1 2.89Å; E360-H403 PolarHBondContact OE1-ND1 3.37Å; E360-H403 WeakPolarHBondContact OE2-CB 3.14Å; E360-H403 IonicContact OE2-CG 2.66Å; E360-H403 IonicContact OE2-ND1 3.15Å; E360-H403 PolarHBondContact OE2-ND1 2.82Å
361F97.2Very high94.9Very high5 Ų564.8 Ų64.82%0.02235%0.348CS..EExtended strand (participates in β ladder)trans-146.6144.2174.162.9-88000111.2F298 F345 G346 A349 I351 M363 F365 I389F298-F361 AromaticContact CD2-CZ 3.83Å; F298-F361 HydrophobicContact CD2-CZ 3.83Å; F298-F361 HydrophobicContact CE2-CZ 4.27Å; F298-F361 HydrophobicContact CG-CZ 4.49Å; F345-F361 CarbonylContact C-O 3.57Å; F345-F361 WeakPolarHBondContact CA-O 3.19Å; G346-F361 PolarHBondContact N-O 2.81Å; G346-F361 WeakPolarHBondContact O-CD1 3.42Å; G346-F361 WeakPolarHBondContact O-CE1 3.1Å; G346-F361 PolarHBondContact O-N 3Å; A349-F361 HydrophobicContact CB-CE1 3.89Å; A349-F361 HydrophobicContact CB-CZ 4.1Å; I351-F361 HydrophobicContact CD1-CB 3.92Å; I351-F361 HydrophobicContact CD1-CG 4.38Å; I351-F361 HydrophobicContact CG2-CB 4.3Å; I351-F361 HydrophobicContact CG2-CD1 3.84Å; I351-F361 HydrophobicContact CG2-CD2 3.74Å; I351-F361 HydrophobicContact CG2-CE1 4.05Å; I351-F361 HydrophobicContact CG2-CE2 3.96Å; I351-F361 HydrophobicContact CG2-CG 3.68Å; I351-F361 HydrophobicContact CG2-CZ 4.11Å; F361-M363 PolarHBondContact O-N 3.34Å; F361-F365 HydrophobicContact CD2-CE1 4.5Å; F361-I389 HydrophobicContact CE2-CG2 4.19Å; F361-I389 HydrophobicContact CZ-CD1 4.02Å; F361-I389 HydrophobicContact CZ-CG2 4.29Å
362P97.6Very high95.1Very high17 Ų1763.3 Ų63.311%0.1134%0.341CS..EExtended strand (participates in β ladder)trans-67.312817928.9-35.8000110.4F345 N364 F365 P370F345-P362 HydrophobicContact CD1-CB 4.42Å; F345-P362 HydrophobicContact CE1-CB 4.37Å; P362-N364 PolarHBondContact O-N 2.83Å; P362-F365 WeakPolarHBondContact O-CA 3.47Å; P362-F365 PolarHBondContact O-N 3.39Å; P362-P370 HydrophobicContact CB-CB 3.92Å
363M97.7Very high95.3Very high0 Ų066.8 Ų66.80%036%0.358CS..THydrogen-bonded Turntrans-65.4-21-179-69.7-165.5-72.200112.9V294 V296 F298 A344 F361 F365 I378 A381 Y382 C385V294-M363 HydrophobicContact CG1-CE 4.49Å; V296-M363 HydrophobicContact CB-SD 4.14Å; V296-M363 HydrophobicContact CG2-CE 4Å; V296-M363 HydrophobicContact CG2-SD 3.93Å; F298-M363 HydrophobicContact CE2-CG 4.15Å; F298-M363 HydrophobicContact CE2-SD 3.8Å; F298-M363 HydrophobicContact CZ-SD 3.9Å; A344-M363 HydrophobicContact CB-CE 3.33Å; A344-M363 PolarHBondContact O-N 3.2Å; F361-M363 PolarHBondContact O-N 3.34Å; M363-F365 VanDerWaalsContact C-N 3.27Å; M363-I378 HydrophobicContact CE-CG2 3.87Å; M363-A381 HydrophobicContact CB-CB 4.06Å; M363-Y382 HydrophobicContact SD-CD2 4.42Å; M363-C385 HydrophobicContact CB-CB 4.28Å; M363-C385 WeakPolarHBondContact O-CB 3.08Å
364N96.6Very high95.5Very high52 Ų5262.4 Ų62.428%0.27833%0.331SS..THydrogen-bonded Turntrans-85.74.2173.572.12.5000113.3P362 N366 N369 A381P362-N364 PolarHBondContact O-N 2.83Å; N364-N366 PolarHBondContact O-N 2.7Å; N364-N366 WeakPolarHBondContact OD1-CB 3.34Å; N364-N366 PolarHBondContact OD1-N 2.75Å; N364-N369 PolarHBondContact ND2-O 3.31Å; N364-A381 HydrophobicContact CB-CB 4.43Å
365F95.4Very high95.8Very high75 Ų7556 Ų5633%0.32930%0.301SS..SBendtrans54.916.9-175.1-58.9-69.6000115.6I351 F361 P362 M363 C385 Q388 I389I351-F365 HydrophobicContact CG2-CE1 4.47Å; F361-F365 HydrophobicContact CD2-CE1 4.5Å; P362-F365 WeakPolarHBondContact O-CA 3.47Å; P362-F365 PolarHBondContact O-N 3.39Å; M363-F365 VanDerWaalsContact C-N 3.27Å; F365-C385 HydrophobicContact CE2-CB 4.27Å; F365-C385 HydrophobicContact CZ-CB 4.31Å; F365-Q388 HydrophobicContact CE2-CB 4.02Å; F365-Q388 HydrophobicContact CE2-CG 4.42Å; F365-Q388 HydrophobicContact CZ-CB 3.9Å; F365-I389 HydrophobicContact CE1-CG2 4.07Å; F365-I389 HydrophobicContact CZ-CG2 3.86Å
366N95.1Very high95.9Very high70 Ų7055.9 Ų55.937%0.37430%0.304SS..  trans-106.994.8177-172.6-12.8000110.3N364 S368 N369N364-N366 PolarHBondContact O-N 2.7Å; N364-N366 WeakPolarHBondContact OD1-CB 3.34Å; N364-N366 PolarHBondContact OD1-N 2.75Å; N366-S368 PolarHBondContact O-N 3.32Å; N366-S368 PolarHBondContact OD1-N 3.33Å; N366-S368 VanDerWaalsContact OD1-N 3.11Å; N366-N369 CarbonylContact O-C 3.59Å; N366-N369 PolarHBondContact O-N 2.69Å; N366-N369 VanDerWaalsContact O-N 3.15Å; N366-N369 PolarHBondContact OD1-N 3.08Å; N366-N369 VanDerWaalsContact OD1-N 3.12Å
367S91.3Very high96.1Very high107 Ų10749.7 Ų49.775%0.74828%0.278SS*.THydrogen-bonded Turntrans-64.8-24.2179.2-57.10000113.8
368S94.9Very high96.2Very high120 Ų12047.2 Ų47.284%0.83926%0.263SS*.THydrogen-bonded Turntrans-80.8-21.8177-56.10000112.7N366N366-S368 PolarHBondContact O-N 3.32Å; N366-S368 PolarHBondContact OD1-N 3.33Å; N366-S368 VanDerWaalsContact OD1-N 3.11Å
369N95.6Very high96.3Very high73 Ų7346.3 Ų46.339%0.3926%0.256SS..  trans-150.188.5179.4-176.610.8000110.8N364 N366 Y371N364-N369 PolarHBondContact ND2-O 3.31Å; N366-N369 CarbonylContact O-C 3.59Å; N366-N369 PolarHBondContact O-N 2.69Å; N366-N369 VanDerWaalsContact O-N 3.15Å; N366-N369 PolarHBondContact OD1-N 3.08Å; N366-N369 VanDerWaalsContact OD1-N 3.12Å; N369-Y371 PolarHBondContact O-N 2.83Å; N369-Y371 WeakPolarHBondContact OD1-CB 3.4Å; N369-Y371 VanDerWaalsContact OD1-CD2 3.29Å; N369-Y371 WeakPolarHBondContact OD1-CD2 3.4Å; N369-Y371 PolarHBondContact OD1-N 3.31Å
370P96.2Very high96.4Very high21 Ų2149.2 Ų49.214%0.13627%0.27CS..  trans-75.8-1-179.432.2-37.5000113.8P343 A344 F345 P362P343-P370 WeakPolarHBondContact CA-O 3.08Å; P343-P370 HydrophobicContact CB-CB 4.3Å; P343-P370 HydrophobicContact CB-CG 4.1Å; A344-P370 PolarHBondContact N-O 2.94Å; F345-P370 HydrophobicContact CE1-CB 3.88Å; F345-P370 HydrophobicContact CE1-CG 4.43Å; F345-P370 HydrophobicContact CZ-CB 3.75Å; F345-P370 HydrophobicContact CZ-CG 3.94Å; P362-P370 HydrophobicContact CB-CB 3.92Å
371Y97.4Very high96.5Very high93 Ų9347 Ų4737%0.36526%0.261SS..EExtended strand (participates in β ladder)trans-79.4134.4-169.7-67.1-101.1000112.7M341 P343 N369M341-Y371 HydrophobicContact CB-CD1 3.87Å; M341-Y371 HydrophobicContact CB-CG 4.44Å; M341-Y371 VanDerWaalsContact O-CD1 3.3Å; M341-Y371 WeakPolarHBondContact O-CD1 3.37Å; P343-Y371 HydrophobicContact CB-CD1 4.43Å; P343-Y371 HydrophobicContact CB-CE1 4.41Å; P343-Y371 HydrophobicContact CG-CD1 4.47Å; P343-Y371 HydrophobicContact CG-CE1 4.15Å; N369-Y371 PolarHBondContact O-N 2.83Å; N369-Y371 WeakPolarHBondContact OD1-CB 3.4Å; N369-Y371 VanDerWaalsContact OD1-CD2 3.29Å; N369-Y371 WeakPolarHBondContact OD1-CD2 3.4Å; N369-Y371 PolarHBondContact OD1-N 3.31Å
372C97.7Very high96.5Very high9 Ų946.8 Ų46.86%0.06126%0.26CS..EExtended strand (participates in β ladder)trans-110.4142.1177-61.80000110.2M341 F342 G374 I378M341-C372 WeakPolarHBondContact CA-O 3.38Å; F342-C372 PolarHBondContact N-O 3.35Å; F342-C372 PolarHBondContact O-N 2.86Å; C372-G374 PolarHBondContact O-N 3.27Å; C372-I378 HydrophobicContact CB-CG1 3.85Å
373N96.9Very high96.5Very high118 Ų11850.9 Ų50.963%0.63127%0.273SS*.EExtended strand (participates in β ladder)trans-79.5103.6179.6-177.714.8000111.2M341 G377M341-N373 HydrophobicContact SD-CB 4.04Å; N373-G377 WeakPolarHBondContact O-CA 3.3Å; N373-G377 PolarHBondContact O-N 3.18Å
374G96.5Very high96.4Very high8 Ų854 Ų548%0.08230%0.295CS..Hα-helixtrans64.4-178.9-17800000113.6K340 C372 Q376 G377 I378K340-G374 WeakPolarHBondContact O-CA 3.47Å; K340-G374 PolarHBondContact O-N 2.99Å; C372-G374 PolarHBondContact O-N 3.27Å; G374-Q376 PolarHBondContact O-N 3.21Å; G374-G377 PolarHBondContact O-N 3.47Å; G374-G377 VanDerWaalsContact O-N 3.15Å; G374-I378 PolarHBondContact O-N 2.9Å
375I96.2Very high96.5Very high2 Ų251.5 Ų51.51%0.0128%0.282CS..Hα-helixtrans-64.2-34176.8-54.1-52000111.5F292 W327 G330 Q334 F342 G377 I378 V379F292-I375 HydrophobicContact CD1-CD1 4.31Å; F292-I375 HydrophobicContact CE1-CD1 4.02Å; W327-I375 HydrophobicContact CD2-CG2 4.1Å; W327-I375 HydrophobicContact CE3-CB 4.22Å; W327-I375 HydrophobicContact CE3-CG2 3.55Å; W327-I375 HydrophobicContact CH2-CG2 4.37Å; W327-I375 HydrophobicContact CZ3-CB 3.94Å; W327-I375 HydrophobicContact CZ3-CG2 3.71Å; G330-I375 VanDerWaalsContact C-CG1 3.43Å; G330-I375 WeakPolarHBondContact O-CG1 3.18Å; Q334-I375 HydrophobicContact CB-CG1 4.37Å; F342-I375 HydrophobicContact CD2-CD1 3.99Å; F342-I375 HydrophobicContact CE2-CD1 3.98Å; I375-G377 VanDerWaalsContact C-N 3.3Å; I375-G377 PolarHBondContact O-N 3.16Å; I375-I378 HydrophobicContact CD1-CD1 4.06Å; I375-I378 PolarHBondContact O-N 3.42Å; I375-I378 VanDerWaalsContact O-N 3.16Å; I375-V379 HydrophobicContact CG2-CG2 4.48Å; I375-V379 WeakPolarHBondContact O-CG2 3.48Å; I375-V379 PolarHBondContact O-N 3.33Å
376Q96.4Very high96.5Very high90 Ų9048.5 Ų48.542%0.42127%0.269SS..Hα-helixtrans-56.9-44.4173.5-178.761.128.900111.5W327 G374 I378 V379 E380W327-Q376 HydrophobicContact CH2-CB 4.18Å; W327-Q376 VanDerWaalsContact CH2-OE1 3.24Å; G374-Q376 PolarHBondContact O-N 3.21Å; Q376-I378 PolarHBondContact O-N 3.06Å; Q376-V379 PolarHBondContact O-N 2.8Å; Q376-E380 WeakPolarHBondContact CG-OE1 3.23Å; Q376-E380 PolarHBondContact NE2-OE1 3.41Å; Q376-E380 WeakPolarHBondContact O-CG 3.14Å; Q376-E380 PolarHBondContact O-N 3.41Å
377G97.8Very high96.6Very high11 Ų1150.2 Ų50.211%0.11328%0.284CS..Hα-helixtrans-63.7-3817600000113.2N373 G374 I375 V379 E380 A381N373-G377 WeakPolarHBondContact O-CA 3.3Å; N373-G377 PolarHBondContact O-N 3.18Å; G374-G377 PolarHBondContact O-N 3.47Å; G374-G377 VanDerWaalsContact O-N 3.15Å; I375-G377 VanDerWaalsContact C-N 3.3Å; I375-G377 PolarHBondContact O-N 3.16Å; G377-V379 VanDerWaalsContact C-N 3.35Å; G377-E380 PolarHBondContact O-N 3.19Å; G377-A381 WeakPolarHBondContact O-CB 3.29Å; G377-A381 PolarHBondContact O-N 3.48Å
378I98.1Very high96.8Very high1 Ų149.2 Ų49.21%0.00527%0.268CS..Hα-helixtrans-62.8-43.9174.6-59.5178.2000110.5V294 L326 F342 A344 M363 C372 G374 I375 Q376 A381 Y382V294-I378 HydrophobicContact CG1-CG2 4.46Å; V294-I378 HydrophobicContact CG2-CD1 3.8Å; L326-I378 HydrophobicContact CD1-CG2 4.35Å; L326-I378 HydrophobicContact CD2-CG2 4.28Å; F342-I378 HydrophobicContact CB-CD1 3.71Å; F342-I378 HydrophobicContact CB-CG1 4.26Å; F342-I378 HydrophobicContact CD2-CD1 4.19Å; F342-I378 HydrophobicContact CG-CD1 4.3Å; A344-I378 HydrophobicContact CB-CB 4.48Å; A344-I378 HydrophobicContact CB-CG1 4.07Å; A344-I378 HydrophobicContact CB-CG2 3.96Å; M363-I378 HydrophobicContact CE-CG2 3.87Å; C372-I378 HydrophobicContact CB-CG1 3.85Å; G374-I378 PolarHBondContact O-N 2.9Å; I375-I378 HydrophobicContact CD1-CD1 4.06Å; I375-I378 PolarHBondContact O-N 3.42Å; I375-I378 VanDerWaalsContact O-N 3.16Å; Q376-I378 PolarHBondContact O-N 3.06Å; I378-A381 PolarHBondContact O-N 3.01Å; I378-Y382 WeakPolarHBondContact O-CB 3.43Å; I378-Y382 PolarHBondContact O-N 2.9Å
379V96.9Very high96.9Very high1 Ų144.3 Ų44.31%0.00623%0.232CC..Hα-helixtrans-64.2-41.3178.9167.50000111.4L323 W327 I375 Q376 G377 Y382 R383L323-V379 HydrophobicContact CD2-CB 4.25Å; L323-V379 HydrophobicContact CD2-CG1 3.77Å; L323-V379 HydrophobicContact CD2-CG2 3.92Å; W327-V379 HydrophobicContact CD2-CG2 4.49Å; W327-V379 HydrophobicContact CZ2-CB 4.34Å; W327-V379 HydrophobicContact CZ2-CG1 4.47Å; W327-V379 HydrophobicContact CZ2-CG2 3.88Å; I375-V379 HydrophobicContact CG2-CG2 4.48Å; I375-V379 WeakPolarHBondContact O-CG2 3.48Å; I375-V379 PolarHBondContact O-N 3.33Å; Q376-V379 PolarHBondContact O-N 2.8Å; G377-V379 VanDerWaalsContact C-N 3.35Å; V379-Y382 PolarHBondContact O-N 3.24Å; V379-R383 WeakPolarHBondContact O-CB 3.5Å; V379-R383 VanDerWaalsContact O-CG 3.29Å; V379-R383 WeakPolarHBondContact O-CG 3.31Å; V379-R383 PolarHBondContact O-N 3.48Å
380E97Very high97Very high106 Ų10645.7 Ų45.750%0.49523%0.234SC..Hα-helixtrans-63.1-44.2174-73.4168.1-170.600111.6Q376 G377 R383 S384Q376-E380 WeakPolarHBondContact CG-OE1 3.23Å; Q376-E380 PolarHBondContact NE2-OE1 3.41Å; Q376-E380 WeakPolarHBondContact O-CG 3.14Å; Q376-E380 PolarHBondContact O-N 3.41Å; G377-E380 PolarHBondContact O-N 3.19Å; E380-R383 PolarHBondContact O-N 3.45Å; E380-S384 VanDerWaalsContact O-CB 3.31Å; E380-S384 WeakPolarHBondContact O-CB 3.42Å; E380-S384 PolarHBondContact O-N 2.85Å
381A98.1Very high97Very high8 Ų846.2 Ų46.27%0.06624%0.236CC..Hα-helixtrans-61.3-46.6175.300000111.7M363 N364 G377 I378 R383 S384 C385M363-A381 HydrophobicContact CB-CB 4.06Å; N364-A381 HydrophobicContact CB-CB 4.43Å; G377-A381 WeakPolarHBondContact O-CB 3.29Å; G377-A381 PolarHBondContact O-N 3.48Å; I378-A381 PolarHBondContact O-N 3.01Å; A381-R383 PolarHBondContact O-N 3.49Å; A381-S384 PolarHBondContact O-N 2.96Å; A381-C385 WeakPolarHBondContact O-CB 3.15Å; A381-C385 PolarHBondContact O-N 3.45Å
382Y98.1Very high97Very high0 Ų047.9 Ų47.90%024%0.242CC..Hα-helixtrans-56.4-49.8175.3170.5-87.7000111.8V296 F298 H312 I314 N320 L323 M363 I378 V379 S384 C385 L386V296-Y382 HydrophobicContact CG1-CD2 4.08Å; V296-Y382 HydrophobicContact CG1-CE2 3.94Å; F298-Y382 HydrophobicContact CE1-CD2 4.06Å; F298-Y382 AromaticContact CE1-CE2 3.8Å; F298-Y382 HydrophobicContact CE1-CE2 3.8Å; F298-Y382 AromaticContact CZ-CD2 3.73Å; F298-Y382 HydrophobicContact CZ-CD2 3.73Å; F298-Y382 AromaticContact CZ-CE2 3.93Å; F298-Y382 HydrophobicContact CZ-CE2 3.93Å; H312-Y382 AromaticContact ND1-CE2 3.84Å; H312-Y382 AromaticContact ND1-CZ 3.75Å; H312-Y382 PolarHBondContact ND1-OH 3.4Å; I314-Y382 HydrophobicContact CD1-CE1 4.48Å; N320-Y382 PolarHBondContact ND2-OH 3.18Å; L323-Y382 HydrophobicContact CD1-CD1 4.48Å; L323-Y382 HydrophobicContact CD1-CE1 4.22Å; L323-Y382 HydrophobicContact CD2-CD1 3.68Å; L323-Y382 HydrophobicContact CD2-CE1 4.08Å; L323-Y382 HydrophobicContact CD2-CG 4.32Å; L323-Y382 HydrophobicContact CG-CD1 4.12Å; L323-Y382 HydrophobicContact CG-CE1 3.98Å; M363-Y382 HydrophobicContact SD-CD2 4.42Å; I378-Y382 WeakPolarHBondContact O-CB 3.43Å; I378-Y382 PolarHBondContact O-N 2.9Å; V379-Y382 PolarHBondContact O-N 3.24Å; Y382-S384 VanDerWaalsContact C-N 3.31Å; Y382-S384 PolarHBondContact O-N 3.39Å; Y382-C385 PolarHBondContact O-N 3.31Å; Y382-L386 HydrophobicContact CE1-CD2 4.27Å; Y382-L386 WeakPolarHBondContact O-CB 3.24Å; Y382-L386 PolarHBondContact O-N 2.85Å
383R96.4Very high96.7Very high103 Ų10348.3 Ų48.339%0.38925%0.248SC..Hα-helixtrans-63.9-36.5-179.5-73.7177.6172.9175.7-1.2112.5I314 G318 V379 E380 A381 P387I314-R383 HydrophobicContact CD1-CG 4.04Å; G318-R383 PolarHBondContact O-NH2 3.45Å; V379-R383 WeakPolarHBondContact O-CB 3.5Å; V379-R383 VanDerWaalsContact O-CG 3.29Å; V379-R383 WeakPolarHBondContact O-CG 3.31Å; V379-R383 PolarHBondContact O-N 3.48Å; E380-R383 PolarHBondContact O-N 3.45Å; A381-R383 PolarHBondContact O-N 3.49Å; R383-P387 VanDerWaalsContact O-CD 3.22Å; R383-P387 WeakPolarHBondContact O-CD 3.37Å
384S96.4Very high96.6Very high65 Ų6545.4 Ų45.446%0.45524%0.235SC..Hα-helixtrans-73.2-39.2176.4-175.10000112E380 A381 Y382 P387 Q388E380-S384 VanDerWaalsContact O-CB 3.31Å; E380-S384 WeakPolarHBondContact O-CB 3.42Å; E380-S384 PolarHBondContact O-N 2.85Å; A381-S384 PolarHBondContact O-N 2.96Å; Y382-S384 VanDerWaalsContact C-N 3.31Å; Y382-S384 PolarHBondContact O-N 3.39Å; S384-P387 WeakPolarHBondContact O-CD 3.36Å; S384-Q388 PolarHBondContact O-NE2 2.69Å; S384-Q388 PolarHBondContact OG-NE2 3.23Å
385C97.1Very high96.5Very high0 Ų045.5 Ų45.50%023%0.234CC..Hα-helixtrans-68.3-49-176.7178.90000113.1M363 F365 A381 Y382 Q388 I389M363-C385 HydrophobicContact CB-CB 4.28Å; M363-C385 WeakPolarHBondContact O-CB 3.08Å; F365-C385 HydrophobicContact CE2-CB 4.27Å; F365-C385 HydrophobicContact CZ-CB 4.31Å; A381-C385 WeakPolarHBondContact O-CB 3.15Å; A381-C385 PolarHBondContact O-N 3.45Å; Y382-C385 PolarHBondContact O-N 3.31Å; C385-Q388 WeakPolarHBondContact O-CB 3.22Å; C385-Q388 PolarHBondContact O-N 2.85Å; C385-I389 PolarHBondContact O-N 2.97Å
386L96.9Very high96.5Very high13 Ų1346.6 Ų46.67%0.06824%0.241CC..G310 helixtrans-50-46.4-171.8-177.463.8000115F298 P305 H312 I314 Y382 Q388 L391F298-L386 HydrophobicContact CD1-CD1 3.96Å; F298-L386 HydrophobicContact CE1-CB 4.41Å; F298-L386 HydrophobicContact CE1-CD1 3.83Å; P305-L386 HydrophobicContact CB-CD1 4.05Å; P305-L386 HydrophobicContact CB-CD2 4.06Å; P305-L386 HydrophobicContact CB-CG 4.05Å; P305-L386 HydrophobicContact CG-CD1 3.69Å; P305-L386 HydrophobicContact CG-CG 4.18Å; H312-L386 HydrophobicContact CB-CD1 3.88Å; H312-L386 HydrophobicContact CB-CD2 4.04Å; I314-L386 HydrophobicContact CD1-CD2 4.24Å; I314-L386 HydrophobicContact CG1-CD2 4.43Å; Y382-L386 HydrophobicContact CE1-CD2 4.27Å; Y382-L386 WeakPolarHBondContact O-CB 3.24Å; Y382-L386 PolarHBondContact O-N 2.85Å; L386-Q388 VanDerWaalsContact C-N 3.25Å; L386-Q388 PolarHBondContact O-N 3.17Å; L386-L391 HydrophobicContact CD1-CD2 4.36Å
387P96Very high96.5Very high105 Ų10542.3 Ų42.368%0.68222%0.221SC*.G310 helixtrans-74.1-9.9178.829.3-36.7000114.7R383 S384R383-P387 VanDerWaalsContact O-CD 3.22Å; R383-P387 WeakPolarHBondContact O-CD 3.37Å; S384-P387 WeakPolarHBondContact O-CD 3.36Å
388Q96.3Very high96.5Very high87 Ų8742.6 Ų42.641%0.40722%0.22SC..G310 helixtrans-98.4-12.6-174.8-62.8-176.166.500113.6P352 W355 F365 S384 C385 L386P352-Q388 WeakPolarHBondContact CD-O 3.32Å; W355-Q388 WeakPolarHBondContact CH2-O 3.48Å; F365-Q388 HydrophobicContact CE2-CB 4.02Å; F365-Q388 HydrophobicContact CE2-CG 4.42Å; F365-Q388 HydrophobicContact CZ-CB 3.9Å; S384-Q388 PolarHBondContact O-NE2 2.69Å; S384-Q388 PolarHBondContact OG-NE2 3.23Å; C385-Q388 WeakPolarHBondContact O-CB 3.22Å; C385-Q388 PolarHBondContact O-N 2.85Å; L386-Q388 VanDerWaalsContact C-N 3.25Å; L386-Q388 PolarHBondContact O-N 3.17Å
389I97.1Very high96.5Very high16 Ų1644.3 Ų44.38%0.08223%0.232CC..SBendtrans-107.9166.8-178.266.1177.9000111.2F298 A349 I351 F361 F365 C385 L391F298-I389 HydrophobicContact CB-CD1 3.67Å; F298-I389 HydrophobicContact CD1-CD1 3.43Å; F298-I389 VanDerWaalsContact CD1-CD1 3.43Å; F298-I389 HydrophobicContact CD2-CD1 4.05Å; F298-I389 HydrophobicContact CE1-CD1 3.95Å; F298-I389 HydrophobicContact CG-CD1 3.46Å; F298-I389 VanDerWaalsContact CG-CD1 3.46Å; F298-I389 HydrophobicContact CZ-CD1 4.45Å; A349-I389 HydrophobicContact CB-CB 4.25Å; A349-I389 HydrophobicContact CB-CD1 3.84Å; A349-I389 HydrophobicContact CB-CG1 4.39Å; I351-I389 HydrophobicContact CG2-CG2 3.97Å; F361-I389 HydrophobicContact CE2-CG2 4.19Å; F361-I389 HydrophobicContact CZ-CD1 4.02Å; F361-I389 HydrophobicContact CZ-CG2 4.29Å; F365-I389 HydrophobicContact CE1-CG2 4.07Å; F365-I389 HydrophobicContact CZ-CG2 3.86Å; C385-I389 PolarHBondContact O-N 2.97Å; I389-L391 HydrophobicContact CD1-CD2 4.32Å
390K97.3Very high96.5Very high103 Ų10344.3 Ų44.345%0.44823%0.232SC..EExtended strand (participates in β ladder)trans-112.4122.9166-65.2169.2-174173.90109.2A349 Q350 W355 Y392A349-K390 CarbonylContact C-O 3.37Å; A349-K390 WeakPolarHBondContact CA-O 3.27Å; A349-K390 WeakPolarHBondContact CB-O 3.41Å; Q350-K390 HydrophobicContact CB-CB 4.21Å; Q350-K390 PolarHBondContact N-O 3.46Å; Q350-K390 PolarHBondContact O-N 2.96Å; W355-K390 HydrophobicContact CD2-CD 4.36Å; W355-K390 HydrophobicContact CE3-CD 3.7Å; W355-K390 HydrophobicContact CE3-CG 3.96Å; W355-K390 HydrophobicContact CH2-CG 4.39Å; W355-K390 HydrophobicContact CZ3-CB 4.34Å; W355-K390 HydrophobicContact CZ3-CD 3.84Å; W355-K390 HydrophobicContact CZ3-CG 3.63Å; K390-Y392 PolarHBondContact O-N 2.99Å
391L97.1Very high96.6Very high32 Ų3239.3 Ų39.317%0.16821%0.208CC..EExtended strand (participates in β ladder)trans-61.3134.6175.4-50.7-176.4000110.1F298 N302 G303 P305 L386 I389F298-L391 HydrophobicContact CB-CD2 3.82Å; F298-L391 HydrophobicContact CD1-CD2 4.03Å; F298-L391 HydrophobicContact CG-CD2 4.44Å; F298-L391 WeakPolarHBondContact O-CA 3.44Å; F298-L391 WeakPolarHBondContact O-CB 3.39Å; F298-L391 VanDerWaalsContact O-CD2 3.24Å; F298-L391 WeakPolarHBondContact O-CD2 3.33Å; N302-L391 HydrophobicContact CB-CD1 4.26Å; G303-L391 WeakPolarHBondContact O-CD1 3.38Å; P305-L391 HydrophobicContact CG-CD1 3.83Å; P305-L391 HydrophobicContact CG-CG 4.26Å; L386-L391 HydrophobicContact CD1-CD2 4.36Å; I389-L391 HydrophobicContact CD1-CD2 4.32Å
392Y95.8Very high96.6Very high128 Ų12842.3 Ų42.350%0.50222%0.223SC..BIsolated β-bridgetrans-148-137.2-173.2-160.7-106.3000111.8F298 T299 G300 G348 Q350 V357 K390F298-Y392 PolarHBondContact O-N 3.12Å; T299-Y392 CarbonylContact C-O 3.5Å; T299-Y392 WeakPolarHBondContact CA-O 3.31Å; T299-Y392 VanDerWaalsContact CB-O 3.29Å; T299-Y392 WeakPolarHBondContact CB-O 3.4Å; G300-Y392 PolarHBondContact N-O 3.07Å; G348-Y392 CarbonylContact O-C 3.53Å; G348-Y392 WeakPolarHBondContact O-CA 3.31Å; G348-Y392 PolarHBondContact O-N 2.95Å; G348-Y392 VanDerWaalsContact O-N 3.08Å; Q350-Y392 HydrophobicContact CG-CD1 4.38Å; Q350-Y392 HydrophobicContact CG-CD2 4.43Å; Q350-Y392 HydrophobicContact CG-CG 4.03Å; V357-Y392 HydrophobicContact CB-CD1 4.26Å; V357-Y392 HydrophobicContact CG1-CD1 4.03Å; V357-Y392 HydrophobicContact CG2-CD1 3.22Å; V357-Y392 HydrophobicContact CG2-CE1 3.44Å; V357-Y392 VanDerWaalsContact CG2-CE1 3.44Å; V357-Y392 HydrophobicContact CG2-CG 4.22Å; K390-Y392 PolarHBondContact O-N 2.99Å
393G92.8Very high96.6Very high17 Ų1743.4 Ų43.418%0.17523%0.228CC..  trans180-177.2176.500000111.7G348 V357G348-G393 PolarHBondContact O-N 2.82Å; V357-G393 WeakPolarHBondContact CG1-O 3.42Å
394P94.6Very high96.7Very high57 Ų5738.5 Ų38.537%0.3721%0.21SC..  cis-73.5175.9-1.229.9-37.3000114.7H359 T432H359-P394 PolarHBondContact CE1-O 2.8Å; H359-P394 PolarHBondContact ND1-O 2.75Å; P394-T432 HydrophobicContact CB-CG2 3.77Å; P394-T432 WeakPolarHBondContact CB-OG1 3.42Å; P394-T432 HydrophobicContact CG-CG2 4.4Å
395T94.3Very high96.8Very high10 Ų1036 Ų366%0.06119%0.193CC..  trans-86.1106.8172.2-43.90000109.6D297 T299 F347 F397 V430 T432D297-T395 VanDerWaalsContact OD2-CG2 3.32Å; D297-T395 WeakPolarHBondContact OD2-CG2 3.38Å; T299-T395 HydrophobicContact CG2-CG2 4.4Å; T299-T395 WeakPolarHBondContact CG2-OG1 3.22Å; F347-T395 HydrophobicContact CE2-CG2 3.98Å; T395-F397 HydrophobicContact CG2-CE1 3.84Å; T395-V430 WeakPolarHBondContact CB-O 3.44Å; T395-V430 WeakPolarHBondContact CG2-O 3.38Å; T395-V430 PolarHBondContact OG1-O 3.36Å; T395-T432 PolarHBondContact O-N 2.88Å
396N95.6Very high96.8Very high26 Ų2643.3 Ų43.314%0.13922%0.22CC..  trans-125.5122.8-175.3-70.1-6.3000111.1H359 D433H359-N396 HydrophobicContact CB-CB 4.44Å; N396-D433 VanDerWaalsContact CA-CG 3.47Å; N396-D433 VanDerWaalsContact CA-OD1 3.25Å; N396-D433 WeakPolarHBondContact CA-OD1 3.27Å; N396-D433 WeakPolarHBondContact CA-OD2 3.4Å; N396-D433 HydrophobicContact CB-CB 4.25Å; N396-D433 WeakPolarHBondContact CB-OD2 3.32Å
397F97.2Very high96.8Very high0 Ų047.1 Ų47.10%024%0.237CC..  trans-96.9-24.7179.8-66.7-4.6000113.2F347 T395 P399 I400 I401 I425 T427 I431 D433 T437 I453 M464F347-F397 AromaticContact CE2-CD1 3.85Å; F347-F397 HydrophobicContact CE2-CD1 3.85Å; F347-F397 AromaticContact CE2-CE1 3.67Å; F347-F397 HydrophobicContact CE2-CE1 3.67Å; F347-F397 AromaticContact CZ-CD1 3.85Å; F347-F397 HydrophobicContact CZ-CD1 3.85Å; F347-F397 AromaticContact CZ-CE1 3.58Å; F347-F397 HydrophobicContact CZ-CE1 3.58Å; T395-F397 HydrophobicContact CG2-CE1 3.84Å; F397-P399 VanDerWaalsContact C-N 3.28Å; F397-P399 VanDerWaalsContact O-N 3.17Å; F397-I400 VanDerWaalsContact O-CG2 3.26Å; F397-I400 WeakPolarHBondContact O-CG2 3.35Å; F397-I400 PolarHBondContact O-N 3.1Å; F397-I401 HydrophobicContact CB-CD1 3.94Å; F397-I401 WeakPolarHBondContact O-CG1 3.48Å; F397-I401 PolarHBondContact O-N 2.89Å; F397-I401 VanDerWaalsContact O-N 3.1Å; F397-I425 HydrophobicContact CB-CD1 4.24Å; F397-I425 HydrophobicContact CD1-CG2 4.06Å; F397-I425 HydrophobicContact CD2-CD1 4.1Å; F397-I425 HydrophobicContact CD2-CG2 4.37Å; F397-I425 HydrophobicContact CE1-CG2 3.79Å; F397-I425 HydrophobicContact CE2-CG2 4.1Å; F397-I425 HydrophobicContact CG-CD1 4.08Å; F397-I425 HydrophobicContact CG-CG2 4.38Å; F397-I425 HydrophobicContact CZ-CG2 3.84Å; F397-T427 HydrophobicContact CE1-CG2 4.26Å; F397-T427 HydrophobicContact CE2-CG2 4.25Å; F397-T427 HydrophobicContact CZ-CG2 3.43Å; F397-T427 VanDerWaalsContact CZ-CG2 3.43Å; F397-I431 HydrophobicContact CD1-CG2 4.06Å; F397-I431 HydrophobicContact CD2-CG2 3.6Å; F397-I431 HydrophobicContact CE1-CG2 3.8Å; F397-I431 HydrophobicContact CE2-CG2 3.32Å; F397-I431 HydrophobicContact CG-CG2 3.93Å; F397-I431 HydrophobicContact CZ-CG2 3.39Å; F397-D433 PolarHBondContact N-OD1 2.87Å; F397-D433 PolarHBondContact N-OD2 2.94Å; F397-T437 HydrophobicContact CB-CG2 4.15Å; F397-I453 HydrophobicContact CD2-CD1 4.37Å; F397-I453 HydrophobicContact CE2-CD1 4.2Å; F397-I453 HydrophobicContact CE2-CG2 4.21Å; F397-M464 HydrophobicContact CE2-CE 4.07Å; F397-M464 HydrophobicContact CZ-CE 3.93Å
398S97.4Very high96.9Very high16 Ų1642.1 Ų42.111%0.11220%0.204CC..Hα-helixtrans-54.8-35.8-176.567.60000113.9N402 D433 T437S398-N402 VanDerWaalsContact O-CB 3.3Å; S398-N402 WeakPolarHBondContact O-CB 3.43Å; S398-N402 VanDerWaalsContact O-CG 3.3Å; S398-N402 PolarHBondContact O-N 2.79Å; S398-N402 PolarHBondContact O-ND2 2.95Å; S398-D433 WeakPolarHBondContact CB-OD2 3.49Å; S398-D433 PolarHBondContact N-OD2 2.95Å; S398-D433 PolarHBondContact OG-OD2 2.81Å; S398-T437 PolarHBondContact N-OG1 2.93Å
399P97.9Very high97Very high37 Ų3739.8 Ų39.824%0.2420%0.2CC..Hα-helixtrans-63.8-50.5179.3-24.538.7000112.7H359 F397 I401 N402 H403H359-P399 HydrophobicContact CB-CB 4.39Å; H359-P399 HydrophobicContact CB-CG 3.85Å; F397-P399 VanDerWaalsContact C-N 3.28Å; F397-P399 VanDerWaalsContact O-N 3.17Å; P399-I401 PolarHBondContact O-N 3.4Å; P399-N402 PolarHBondContact O-N 3.3Å; P399-H403 PolarHBondContact O-N 3.43Å
400I97.9Very high97Very high2 Ų242.2 Ų42.21%0.0122%0.223CC..Hα-helixtrans-69.1-34.6-178-170.364.9000112.1F345 E360 F397 H403 V404 L423 I425F345-I400 HydrophobicContact CB-CD1 3.86Å; F345-I400 HydrophobicContact CD2-CD1 3.65Å; F345-I400 HydrophobicContact CE2-CD1 4.39Å; F345-I400 HydrophobicContact CG-CD1 3.89Å; E360-I400 HydrophobicContact CG-CD1 4.16Å; F397-I400 VanDerWaalsContact O-CG2 3.26Å; F397-I400 WeakPolarHBondContact O-CG2 3.35Å; F397-I400 PolarHBondContact O-N 3.1Å; I400-H403 HydrophobicContact CD1-CB 4.44Å; I400-H403 WeakPolarHBondContact O-CB 3.43Å; I400-H403 PolarHBondContact O-N 2.87Å; I400-V404 PolarHBondContact O-N 2.83Å; I400-V404 VanDerWaalsContact O-N 3.16Å; I400-L423 HydrophobicContact CG1-CD1 3.91Å; I400-L423 HydrophobicContact CG1-CD2 4.3Å; I400-L423 HydrophobicContact CG2-CD2 4.47Å; I400-I425 HydrophobicContact CG2-CD1 4.12Å
401I98.5Very high96.8Very high0 Ų037.9 Ų37.90%021%0.206CC..Hα-helixtrans-63-48.8173.3-65.5169.9000109.9F397 P399 H403 V404 A405 L423 I425 T437 A440 I441 I451F397-I401 HydrophobicContact CB-CD1 3.94Å; F397-I401 WeakPolarHBondContact O-CG1 3.48Å; F397-I401 PolarHBondContact O-N 2.89Å; F397-I401 VanDerWaalsContact O-N 3.1Å; P399-I401 PolarHBondContact O-N 3.4Å; I401-H403 VanDerWaalsContact C-N 3.25Å; I401-H403 PolarHBondContact O-N 3.15Å; I401-V404 PolarHBondContact O-N 2.96Å; I401-A405 VanDerWaalsContact O-CB 3.26Å; I401-A405 WeakPolarHBondContact O-CB 3.35Å; I401-A405 PolarHBondContact O-N 3.1Å; I401-L423 HydrophobicContact CG1-CD2 4.02Å; I401-I425 HydrophobicContact CD1-CD1 4.4Å; I401-I425 HydrophobicContact CG1-CD1 4.11Å; I401-T437 HydrophobicContact CD1-CG2 3.98Å; I401-A440 HydrophobicContact CB-CB 4.16Å; I401-A440 HydrophobicContact CG2-CB 3.71Å; I401-I441 HydrophobicContact CD1-CD1 4.45Å; I401-I441 HydrophobicContact CD1-CG1 4.08Å; I401-I451 HydrophobicContact CD1-CD1 4.19Å; I401-I451 HydrophobicContact CG1-CD1 4.12Å; I401-I451 HydrophobicContact CG2-CD1 3.87Å
402N98.5Very high96.7Very high71 Ų7139.1 Ų39.138%0.3822%0.215SC..Hα-helixtrans-64.4-30.6177.9-76.6-50.6000112.3S398 P399 R406S398-N402 VanDerWaalsContact O-CB 3.3Å; S398-N402 WeakPolarHBondContact O-CB 3.43Å; S398-N402 VanDerWaalsContact O-CG 3.3Å; S398-N402 PolarHBondContact O-N 2.79Å; S398-N402 PolarHBondContact O-ND2 2.95Å; P399-N402 PolarHBondContact O-N 3.3Å; N402-R406 WeakPolarHBondContact O-CG 3.42Å; N402-R406 PolarHBondContact O-N 3.2Å; N402-R406 PolarHBondContact O-NE 3.22Å
403H97.8Very high96.5Very high23 Ų2340.2 Ų40.211%0.10622%0.224CC..Hα-helixtrans-59.5-57.1172.5-174118.8000111.6F345 E360 P399 I400 I401 A405 R406 F407F345-H403 AromaticContact CE1-CE1 3.92Å; F345-H403 AromaticContact CE2-NE2 3.77Å; F345-H403 AromaticContact CZ-CE1 3.42Å; F345-H403 VanDerWaalsContact CZ-CE1 3.42Å; F345-H403 WeakPolarHBondContact CZ-CE1 3.37Å; F345-H403 AromaticContact CZ-NE2 3.49Å; F345-H403 WeakPolarHBondContact CZ-NE2 3.5Å; E360-H403 IonicContact OE1-CE1 3.81Å; E360-H403 PolarHBondContact OE1-CE1 2.91Å; E360-H403 VanDerWaalsContact OE1-CE1 3.26Å; E360-H403 IonicContact OE1-CG 3.16Å; E360-H403 IonicContact OE1-ND1 2.89Å; E360-H403 PolarHBondContact OE1-ND1 3.37Å; E360-H403 WeakPolarHBondContact OE2-CB 3.14Å; E360-H403 IonicContact OE2-CG 2.66Å; E360-H403 IonicContact OE2-ND1 3.15Å; E360-H403 PolarHBondContact OE2-ND1 2.82Å; P399-H403 PolarHBondContact O-N 3.43Å; I400-H403 HydrophobicContact CD1-CB 4.44Å; I400-H403 WeakPolarHBondContact O-CB 3.43Å; I400-H403 PolarHBondContact O-N 2.87Å; I401-H403 VanDerWaalsContact C-N 3.25Å; I401-H403 PolarHBondContact O-N 3.15Å; H403-A405 VanDerWaalsContact C-N 3.3Å; H403-A405 PolarHBondContact O-N 3.04Å; H403-R406 PolarHBondContact ND1-NH2 3.33Å; H403-R406 WeakPolarHBondContact O-CB 3.34Å; H403-R406 PolarHBondContact O-N 3.47Å; H403-F407 AromaticContact CD2-CD2 4Å; H403-F407 AromaticContact CD2-CE2 3.46Å; H403-F407 VanDerWaalsContact CD2-CE2 3.46Å; H403-F407 WeakPolarHBondContact CD2-CE2 3.36Å; H403-F407 AromaticContact NE2-CE2 3.36Å; H403-F407 WeakPolarHBondContact NE2-CE2 3.46Å; H403-F407 VanDerWaalsContact O-CD2 3.27Å; H403-F407 WeakPolarHBondContact O-CD2 3.39Å
404V98.3Very high96.2Very high1 Ų142.7 Ų42.71%0.00623%0.231CC..Hα-helixtrans-65.2-37.8-179.1-1800000110.9T293 I400 I401 R406 F407 A408 F421 L423 M449T293-V404 HydrophobicContact CG2-CG2 3.78Å; I400-V404 PolarHBondContact O-N 2.83Å; I400-V404 VanDerWaalsContact O-N 3.16Å; I401-V404 PolarHBondContact O-N 2.96Å; V404-R406 PolarHBondContact O-N 2.95Å; V404-F407 PolarHBondContact O-N 2.83Å; V404-A408 PolarHBondContact O-N 3.17Å; V404-F421 HydrophobicContact CG1-CB 3.86Å; V404-F421 HydrophobicContact CG1-CD1 4.49Å; V404-F421 HydrophobicContact CG1-CG 4.46Å; V404-L423 HydrophobicContact CB-CD2 4.46Å; V404-L423 HydrophobicContact CG1-CB 4.43Å; V404-L423 HydrophobicContact CG2-CB 4.2Å; V404-L423 HydrophobicContact CG2-CD1 4.03Å; V404-L423 HydrophobicContact CG2-CD2 4.08Å; V404-L423 HydrophobicContact CG2-CG 4.32Å; V404-M449 HydrophobicContact CB-CE 4.14Å; V404-M449 HydrophobicContact CG1-CE 3.97Å
405A98.5Very high96Very high11 Ų1148 Ų489%0.09125%0.251CS..Hα-helixtrans-57.5-32.7175.900000113I401 H403 F407 A408 A409 L447 M449I401-A405 VanDerWaalsContact O-CB 3.26Å; I401-A405 WeakPolarHBondContact O-CB 3.35Å; I401-A405 PolarHBondContact O-N 3.1Å; H403-A405 VanDerWaalsContact C-N 3.3Å; H403-A405 PolarHBondContact O-N 3.04Å; A405-F407 PolarHBondContact O-N 2.88Å; A405-A408 PolarHBondContact O-N 3.24Å; A405-A409 WeakPolarHBondContact O-CB 3.44Å; A405-A409 PolarHBondContact O-N 2.7Å; A405-L447 HydrophobicContact CB-CD1 3.78Å; A405-L447 WeakPolarHBondContact O-CD1 3.42Å; A405-M449 HydrophobicContact CB-SD 3.87Å
406R97.9Very high96Very high154 Ų15449.8 Ų49.858%0.58126%0.262SS*.Hα-helixtrans-62.8-41175.3-75.4177.9-74.7147.1-7.2112.3N402 H403 V404 A410N402-R406 WeakPolarHBondContact O-CG 3.42Å; N402-R406 PolarHBondContact O-N 3.2Å; N402-R406 PolarHBondContact O-NE 3.22Å; H403-R406 PolarHBondContact ND1-NH2 3.33Å; H403-R406 WeakPolarHBondContact O-CB 3.34Å; H403-R406 PolarHBondContact O-N 3.47Å; V404-R406 PolarHBondContact O-N 2.95Å; R406-A410 PolarHBondContact O-N 3.35Å; R406-A410 VanDerWaalsContact O-N 3.1Å
407F96.4Very high95.9Very high93 Ų9348.6 Ų48.641%0.40826%0.256SS..Hα-helixtrans-71.2-42.3176.5-63.7-83.6000111.5H403 V404 A405 A409 A410 A411 F421H403-F407 AromaticContact CD2-CD2 4Å; H403-F407 AromaticContact CD2-CE2 3.46Å; H403-F407 VanDerWaalsContact CD2-CE2 3.46Å; H403-F407 WeakPolarHBondContact CD2-CE2 3.36Å; H403-F407 AromaticContact NE2-CE2 3.36Å; H403-F407 WeakPolarHBondContact NE2-CE2 3.46Å; H403-F407 VanDerWaalsContact O-CD2 3.27Å; H403-F407 WeakPolarHBondContact O-CD2 3.39Å; V404-F407 PolarHBondContact O-N 2.83Å; A405-F407 PolarHBondContact O-N 2.88Å; F407-A409 VanDerWaalsContact C-N 3.31Å; F407-A409 PolarHBondContact O-N 2.99Å; F407-A410 WeakPolarHBondContact O-CB 3.34Å; F407-A410 PolarHBondContact O-N 3.44Å; F407-A410 VanDerWaalsContact O-N 3.16Å; F407-A411 PolarHBondContact O-N 3.22Å; F407-F421 HydrophobicContact CB-CD1 4.21Å; F407-F421 HydrophobicContact CB-CE1 3.62Å; F407-F421 HydrophobicContact CB-CZ 3.9Å
408A97.8Very high95.8Very high0 Ų049.6 Ų49.60%026%0.263CS..Hα-helixtrans-60.6-40.9174.900000111.7V404 A405 A411 T412 F421 L447 P448 M449V404-A408 PolarHBondContact O-N 3.17Å; A405-A408 PolarHBondContact O-N 3.24Å; A408-A411 WeakPolarHBondContact O-CB 3.46Å; A408-A411 PolarHBondContact O-N 2.81Å; A408-T412 PolarHBondContact O-N 3.34Å; A408-F421 HydrophobicContact CB-CD2 3.73Å; A408-F421 HydrophobicContact CB-CE2 4.26Å; A408-F421 HydrophobicContact CB-CG 4.24Å; A408-L447 HydrophobicContact CB-CB 3.82Å; A408-L447 HydrophobicContact CB-CD1 4.31Å; A408-P448 HydrophobicContact CB-CG 4.18Å; A408-P448 WeakPolarHBondContact O-CD 3.48Å; A408-P448 WeakPolarHBondContact O-CG 3.27Å; A408-M449 HydrophobicContact CB-CB 4.03Å; A408-M449 HydrophobicContact CB-CG 4.26Å; A408-M449 HydrophobicContact CB-SD 4.01Å
409A98.1Very high95.7Very high39 Ų3950.6 Ų50.632%0.32227%0.266SS..Hα-helixtrans-63.4-39.3174.200000112.7A405 F407 A411 T412 L447A405-A409 WeakPolarHBondContact O-CB 3.44Å; A405-A409 PolarHBondContact O-N 2.7Å; F407-A409 VanDerWaalsContact C-N 3.31Å; F407-A409 PolarHBondContact O-N 2.99Å; A409-A411 VanDerWaalsContact C-N 3.26Å; A409-A411 PolarHBondContact O-N 3.05Å; A409-T412 PolarHBondContact O-N 3.07Å; A409-T412 PolarHBondContact O-OG1 3.29Å; A409-L447 HydrophobicContact CB-CD1 4.13Å; A409-L447 HydrophobicContact CB-CD2 4.01Å
410A96.4Very high95.7Very high67 Ų6748.9 Ų48.955%0.55426%0.255SS*.Hα-helixtrans-63.3-35.5174.100000111.9R406 F407 T412 Q413R406-A410 PolarHBondContact O-N 3.35Å; R406-A410 VanDerWaalsContact O-N 3.1Å; F407-A410 WeakPolarHBondContact O-CB 3.34Å; F407-A410 PolarHBondContact O-N 3.44Å; F407-A410 VanDerWaalsContact O-N 3.16Å; A410-T412 PolarHBondContact O-N 3.45Å; A410-Q413 PolarHBondContact O-N 2.9Å
411A95Very high95.7Very high11 Ų1149.8 Ų49.89%0.09126%0.258CS..Hα-helixtrans-68.8-16.9178.200000114F407 A408 A409 Q413 Q414 Q419 F421 P448F407-A411 PolarHBondContact O-N 3.22Å; A408-A411 WeakPolarHBondContact O-CB 3.46Å; A408-A411 PolarHBondContact O-N 2.81Å; A409-A411 VanDerWaalsContact C-N 3.26Å; A409-A411 PolarHBondContact O-N 3.05Å; A411-Q413 PolarHBondContact O-N 3.01Å; A411-Q414 VanDerWaalsContact O-CB 3.32Å; A411-Q414 WeakPolarHBondContact O-CB 3.39Å; A411-Q414 WeakPolarHBondContact O-CG 3.41Å; A411-Q414 PolarHBondContact O-N 3.01Å; A411-Q414 VanDerWaalsContact O-N 3.08Å; A411-Q419 HydrophobicContact CB-CB 4.18Å; A411-F421 HydrophobicContact CB-CE2 3.74Å; A411-F421 HydrophobicContact CB-CZ 4.38Å; A411-P448 HydrophobicContact CB-CG 4.04Å
412T93.7Very high95.7Very high59 Ų5949.8 Ų49.836%0.36226%0.258SS..THydrogen-bonded Turntrans-67.3-14.817673.80000113.2A408 A409 A410 Q414 L447A408-T412 PolarHBondContact O-N 3.34Å; A409-T412 PolarHBondContact O-N 3.07Å; A409-T412 PolarHBondContact O-OG1 3.29Å; A410-T412 PolarHBondContact O-N 3.45Å; T412-Q414 PolarHBondContact O-N 3.47Å; T412-L447 HydrophobicContact CG2-CD2 4.03Å
413Q91.4Very high95.7Very high150 Ų15046.4 Ų46.470%0.70124%0.24SC*.THydrogen-bonded Turntrans-76.6-11.6174.9-58.5-58.2-32.200112.7A410 A411A410-Q413 PolarHBondContact O-N 2.9Å; A411-Q413 PolarHBondContact O-N 3.01Å
414Q88.1Confident95.7Very high69 Ų6945.3 Ų45.332%0.32224%0.235SC..  trans-73.1142.7177.9-60.6-176.93.800111A411 T412 T416 S418A411-Q414 VanDerWaalsContact O-CB 3.32Å; A411-Q414 WeakPolarHBondContact O-CB 3.39Å; A411-Q414 WeakPolarHBondContact O-CG 3.41Å; A411-Q414 PolarHBondContact O-N 3.01Å; A411-Q414 VanDerWaalsContact O-N 3.08Å; T412-Q414 PolarHBondContact O-N 3.47Å; Q414-T416 VanDerWaalsContact C-N 3.31Å; Q414-S418 PolarHBondContact OE1-OG 3.03Å
415Q90Very high95.7Very high168 Ų16845.2 Ų45.279%0.78524%0.235SC*.SBendtrans-85.3-8178-61.4-61.3-48.300113
416T94.1Very high95.6Very high49 Ų4944.7 Ų44.730%0.30123%0.231SC..SBendtrans-130156.8-177.4520000110.3Q414 S418 L525Q414-T416 VanDerWaalsContact C-N 3.31Å; T416-S418 PolarHBondContact O-N 3.21Å; T416-S418 PolarHBondContact O-OG 3.47Å; T416-S418 PolarHBondContact OG1-OG 3.33Å; T416-L525 WeakPolarHBondContact CA-O 3.18Å
417A94Very high95.6Very high0 Ų037.4 Ų37.40%020%0.203CC..SBendtrans-73.465.7174.400000111.2Y283 C288 F519 L524 L525 P527Y283-A417 HydrophobicContact CD1-CB 3.42Å; Y283-A417 VanDerWaalsContact CD1-CB 3.42Å; Y283-A417 HydrophobicContact CE1-CB 3.41Å; Y283-A417 VanDerWaalsContact CE1-CB 3.41Å; C288-A417 WeakPolarHBondContact CB-O 3.18Å; C288-A417 PolarHBondContact SG-O 3.38Å; A417-F519 HydrophobicContact CB-CB 4.2Å; A417-F519 HydrophobicContact CB-CD1 3.41Å; A417-F519 VanDerWaalsContact CB-CD1 3.41Å; A417-F519 HydrophobicContact CB-CD2 3.71Å; A417-F519 HydrophobicContact CB-CE1 3.56Å; A417-F519 HydrophobicContact CB-CE2 3.81Å; A417-F519 HydrophobicContact CB-CG 3.51Å; A417-F519 HydrophobicContact CB-CZ 3.75Å; A417-L524 HydrophobicContact CB-CB 4.09Å; A417-L525 PolarHBondContact N-O 3.06Å; A417-P527 WeakPolarHBondContact O-CD 3.44Å
418S93.8Very high95.4Very high21 Ų2133.5 Ų33.515%0.14719%0.187CC..  trans-94.8-26.3-171.7-10.40000113.5C288 Q289 Q414 T416C288-S418 WeakPolarHBondContact CA-O 3.49Å; Q289-S418 PolarHBondContact N-O 2.75Å; Q414-S418 PolarHBondContact OE1-OG 3.03Å; T416-S418 PolarHBondContact O-N 3.21Å; T416-S418 PolarHBondContact O-OG 3.47Å; T416-S418 PolarHBondContact OG1-OG 3.33Å
419Q95.6Very high94.1Very high38 Ų3833.6 Ų33.618%0.17819%0.187CC..EExtended strand (participates in β ladder)trans-138.4131.4-172.8-59.2-71.5-70.800110N291 A411 F421N291-Q419 PolarHBondContact ND2-OE1 2.75Å; N291-Q419 PolarHBondContact OD1-OE1 2.83Å; A411-Q419 HydrophobicContact CB-CB 4.18Å; Q419-F421 HydrophobicContact CB-CE2 4.13Å; Q419-F421 HydrophobicContact CB-CZ 4.44Å
420Y97.6Very high93.2Very high0 Ų036 Ų360%020%0.197CC..EExtended strand (participates in β ladder)trans-132.5146.4168.6-162.7-86.3000108.6Q289 L290 N291 V422 P448 M449 S450 R484 Q514 V515 Y518 F519Q289-Y420 PolarHBondContact O-N 2.76Å; L290-Y420 CarbonylContact C-O 3.56Å; L290-Y420 WeakPolarHBondContact CA-O 3.47Å; L290-Y420 HydrophobicContact CD2-CD1 4.37Å; L290-Y420 HydrophobicContact CD2-CG 4.41Å; N291-Y420 PolarHBondContact N-O 3.37Å; N291-Y420 PolarHBondContact ND2-O 3.31Å; Y420-V422 HydrophobicContact CD1-CG2 4.23Å; Y420-V422 HydrophobicContact CE1-CG2 4.47Å; Y420-P448 WeakPolarHBondContact CA-O 3.27Å; Y420-P448 HydrophobicContact CD2-CB 3.92Å; Y420-P448 HydrophobicContact CE2-CB 4.39Å; Y420-M449 PolarHBondContact OH-O 3.32Å; Y420-S450 WeakPolarHBondContact CE1-OG 3.47Å; Y420-S450 PolarHBondContact OH-OG 3.37Å; Y420-R484 PolarHBondContact OH-NH1 2.96Å; Y420-Q514 PolarHBondContact OH-O 2.66Å; Y420-V515 HydrophobicContact CD1-CG2 3.65Å; Y420-V515 HydrophobicContact CD2-CB 4.46Å; Y420-V515 HydrophobicContact CD2-CG1 4.46Å; Y420-V515 HydrophobicContact CD2-CG2 4.02Å; Y420-V515 HydrophobicContact CE1-CG2 3.68Å; Y420-V515 HydrophobicContact CE2-CB 4.38Å; Y420-V515 HydrophobicContact CE2-CG2 4.04Å; Y420-V515 HydrophobicContact CG-CG2 3.82Å; Y420-Y518 HydrophobicContact CD2-CD1 4.49Å; Y420-Y518 HydrophobicContact CE2-CD1 4.3Å; Y420-Y518 HydrophobicContact CE2-CG 4.21Å; Y420-F519 HydrophobicContact CD2-CE2 4.06Å; Y420-F519 AromaticContact CD2-CZ 3.96Å; Y420-F519 HydrophobicContact CD2-CZ 3.96Å
421F98.1Very high92.9Very high21 Ų2133.5 Ų33.59%0.09218%0.175CC..EExtended strand (participates in β ladder)trans-115.1133.8-173.6-62.6-97000111N291 V404 F407 A408 A411 Q419 P448 M449 S450N291-F421 HydrophobicContact CB-CD1 3.53Å; N291-F421 HydrophobicContact CB-CE1 3.77Å; N291-F421 HydrophobicContact CB-CG 4.21Å; N291-F421 CarbonylContact O-C 3.57Å; N291-F421 WeakPolarHBondContact O-CA 3.12Å; V404-F421 HydrophobicContact CG1-CB 3.86Å; V404-F421 HydrophobicContact CG1-CD1 4.49Å; V404-F421 HydrophobicContact CG1-CG 4.46Å; F407-F421 HydrophobicContact CB-CD1 4.21Å; F407-F421 HydrophobicContact CB-CE1 3.62Å; F407-F421 HydrophobicContact CB-CZ 3.9Å; A408-F421 HydrophobicContact CB-CD2 3.73Å; A408-F421 HydrophobicContact CB-CE2 4.26Å; A408-F421 HydrophobicContact CB-CG 4.24Å; A411-F421 HydrophobicContact CB-CE2 3.74Å; A411-F421 HydrophobicContact CB-CZ 4.38Å; Q419-F421 HydrophobicContact CB-CE2 4.13Å; Q419-F421 HydrophobicContact CB-CZ 4.44Å; F421-P448 HydrophobicContact CD2-CG 4.44Å; F421-P448 WeakPolarHBondContact CD2-O 3.49Å; F421-P448 PolarHBondContact N-O 3.37Å; F421-M449 HydrophobicContact CB-CB 3.95Å; F421-M449 CarbonylContact O-C 3.54Å; F421-M449 WeakPolarHBondContact O-CA 3.15Å; F421-M449 WeakPolarHBondContact O-CB 3.22Å; F421-S450 PolarHBondContact O-N 3.04Å
422V97.9Very high92.8Very high0 Ų037.2 Ų37.20%020%0.197CC..EExtended strand (participates in β ladder)trans-122.9116.7176.2-177.20000108.4N291 F292 T293 I333 Y420 I452 I511N291-V422 PolarHBondContact O-N 2.55Å; F292-V422 WeakPolarHBondContact CA-O 3.4Å; F292-V422 HydrophobicContact CD2-CB 4.37Å; F292-V422 HydrophobicContact CD2-CG1 4.34Å; T293-V422 PolarHBondContact N-O 3.13Å; I333-V422 HydrophobicContact CD1-CB 3.65Å; I333-V422 HydrophobicContact CD1-CG1 3.62Å; I333-V422 HydrophobicContact CD1-CG2 3.84Å; Y420-V422 HydrophobicContact CD1-CG2 4.23Å; Y420-V422 HydrophobicContact CE1-CG2 4.47Å; V422-I452 HydrophobicContact CG1-CD1 3.7Å; V422-I452 HydrophobicContact CG1-CG1 4.36Å; V422-I511 HydrophobicContact CG1-CD1 4.2Å; V422-I511 HydrophobicContact CG2-CD1 4.44Å; V422-I511 HydrophobicContact CG2-CG2 4.37Å
423L98.4Very high92.8Very high0 Ų034.8 Ų34.80%018%0.181CC..EExtended strand (participates in β ladder)trans-99.2118.6175.3171.657.8000109.4T293 I400 I401 V404 I425 S450 I451 I452T293-L423 HydrophobicContact CG2-CD1 4Å; T293-L423 WeakPolarHBondContact O-CA 3.44Å; I400-L423 HydrophobicContact CG1-CD1 3.91Å; I400-L423 HydrophobicContact CG1-CD2 4.3Å; I400-L423 HydrophobicContact CG2-CD2 4.47Å; I401-L423 HydrophobicContact CG1-CD2 4.02Å; V404-L423 HydrophobicContact CB-CD2 4.46Å; V404-L423 HydrophobicContact CG1-CB 4.43Å; V404-L423 HydrophobicContact CG2-CB 4.2Å; V404-L423 HydrophobicContact CG2-CD1 4.03Å; V404-L423 HydrophobicContact CG2-CD2 4.08Å; V404-L423 HydrophobicContact CG2-CG 4.32Å; L423-I425 HydrophobicContact CD1-CG1 4.27Å; L423-I425 HydrophobicContact CD2-CD1 4.05Å; L423-I425 HydrophobicContact CD2-CG1 4.12Å; L423-I425 HydrophobicContact CG-CD1 4.38Å; L423-I425 HydrophobicContact CG-CG1 3.92Å; L423-S450 PolarHBondContact N-O 2.9Å; L423-I451 CarbonylContact O-C 3.6Å; L423-I451 WeakPolarHBondContact O-CA 3.14Å; L423-I452 PolarHBondContact O-N 3.29Å
424L98.2Very high92.9Very high0 Ų030.3 Ų30.30%016%0.162CC..EExtended strand (participates in β ladder)trans-94.7120.6167.3170.264.5000109.8F292 T293 V294 G295 L326 V329 I426 I452 V454F292-L424 HydrophobicContact CE2-CB 3.59Å; F292-L424 HydrophobicContact CE2-CD2 4.35Å; F292-L424 HydrophobicContact CZ-CB 3.79Å; F292-L424 HydrophobicContact CZ-CD2 3.75Å; F292-L424 HydrophobicContact CZ-CG 4.43Å; T293-L424 PolarHBondContact O-N 3.19Å; V294-L424 CarbonylContact C-O 3.57Å; V294-L424 WeakPolarHBondContact CA-O 3.49Å; V294-L424 HydrophobicContact CG2-CD2 4.47Å; G295-L424 PolarHBondContact N-O 2.68Å; L326-L424 HydrophobicContact CD2-CD2 4.23Å; V329-L424 HydrophobicContact CB-CD2 4.03Å; V329-L424 HydrophobicContact CG1-CD2 4.12Å; V329-L424 HydrophobicContact CG2-CD1 4.48Å; V329-L424 HydrophobicContact CG2-CD2 4.41Å; L424-I426 HydrophobicContact CD1-CG1 4.1Å; L424-I426 HydrophobicContact CD2-CD1 4.09Å; L424-I426 HydrophobicContact CD2-CG1 4.21Å; L424-I426 HydrophobicContact CG-CD1 4.39Å; L424-I426 HydrophobicContact CG-CG1 3.97Å; L424-I452 CarbonylContact C-O 3.41Å; L424-I452 WeakPolarHBondContact CA-O 3.41Å; L424-I452 HydrophobicContact CD1-CB 4.15Å; L424-I452 HydrophobicContact CD1-CG2 3.51Å; L424-V454 HydrophobicContact CD1-CG2 3.77Å
425I98.1Very high93.3Very high0 Ų030.7 Ų30.70%017%0.166CC..EExtended strand (participates in β ladder)trans-106.1128.9170.1-56.5-179.2000108G295 F347 F397 I400 I401 L423 I451 I452 I453 V454G295-I425 WeakPolarHBondContact O-CA 3.5Å; F347-I425 HydrophobicContact CE1-CG2 4.03Å; F347-I425 HydrophobicContact CZ-CG2 3.89Å; F397-I425 HydrophobicContact CB-CD1 4.24Å; F397-I425 HydrophobicContact CD1-CG2 4.06Å; F397-I425 HydrophobicContact CD2-CD1 4.1Å; F397-I425 HydrophobicContact CD2-CG2 4.37Å; F397-I425 HydrophobicContact CE1-CG2 3.79Å; F397-I425 HydrophobicContact CE2-CG2 4.1Å; F397-I425 HydrophobicContact CG-CD1 4.08Å; F397-I425 HydrophobicContact CG-CG2 4.38Å; F397-I425 HydrophobicContact CZ-CG2 3.84Å; I400-I425 HydrophobicContact CG2-CD1 4.12Å; I401-I425 HydrophobicContact CD1-CD1 4.4Å; I401-I425 HydrophobicContact CG1-CD1 4.11Å; L423-I425 HydrophobicContact CD1-CG1 4.27Å; L423-I425 HydrophobicContact CD2-CD1 4.05Å; L423-I425 HydrophobicContact CD2-CG1 4.12Å; L423-I425 HydrophobicContact CG-CD1 4.38Å; L423-I425 HydrophobicContact CG-CG1 3.92Å; I425-I451 HydrophobicContact CD1-CG2 4.12Å; I425-I452 PolarHBondContact N-O 2.83Å; I425-I453 HydrophobicContact CB-CG1 4.41Å; I425-I453 CarbonylContact O-C 3.59Å; I425-I453 WeakPolarHBondContact O-CA 3.42Å; I425-V454 PolarHBondContact O-N 2.93Å
426I97.8Very high93.7Very high0 Ų028 Ų280%015%0.154CC..EExtended strand (participates in β ladder)trans-118.1125.3172.6-48.3171.7000108.1G295 D297 Y322 A325 L326 L424 V454 V456G295-I426 PolarHBondContact O-N 3.37Å; D297-I426 WeakPolarHBondContact CB-O 3.48Å; D297-I426 PolarHBondContact N-O 3.35Å; Y322-I426 HydrophobicContact CD1-CB 3.83Å; Y322-I426 HydrophobicContact CD1-CG2 3.36Å; Y322-I426 HydrophobicContact CE1-CB 4.01Å; Y322-I426 HydrophobicContact CE1-CG2 3.62Å; Y322-I426 HydrophobicContact CG-CG2 4.13Å; A325-I426 HydrophobicContact CB-CD1 3.93Å; A325-I426 HydrophobicContact CB-CG1 4.45Å; A325-I426 HydrophobicContact CB-CG2 4.47Å; L326-I426 HydrophobicContact CD2-CD1 3.57Å; L326-I426 HydrophobicContact CG-CD1 3.58Å; L424-I426 HydrophobicContact CD1-CG1 4.1Å; L424-I426 HydrophobicContact CD2-CD1 4.09Å; L424-I426 HydrophobicContact CD2-CG1 4.21Å; L424-I426 HydrophobicContact CG-CD1 4.39Å; L424-I426 HydrophobicContact CG-CG1 3.97Å; I426-V454 WeakPolarHBondContact CA-O 3.17Å; I426-V454 HydrophobicContact CG1-CB 4.5Å; I426-V456 HydrophobicContact CG2-CG1 3.72Å; I426-V456 HydrophobicContact CG2-CG2 4.38Å
427T96.3Very high93.8Very high0 Ų025.7 Ų25.70%014%0.139CC..EExtended strand (participates in β ladder)trans-148.5156.2-170-1800000112.1D297 F397 G429 I453 V454 G455 V456 M464D297-T427 WeakPolarHBondContact OD2-CB 3.39Å; D297-T427 PolarHBondContact OD2-OG1 3.46Å; F397-T427 HydrophobicContact CE1-CG2 4.26Å; F397-T427 HydrophobicContact CE2-CG2 4.25Å; F397-T427 HydrophobicContact CZ-CG2 3.43Å; F397-T427 VanDerWaalsContact CZ-CG2 3.43Å; T427-G429 PolarHBondContact OG1-N 3.33Å; T427-I453 HydrophobicContact CG2-CG2 3.99Å; T427-V454 PolarHBondContact N-O 2.8Å; T427-V454 VanDerWaalsContact N-O 3.09Å; T427-G455 CarbonylContact O-C 3.57Å; T427-G455 WeakPolarHBondContact O-CA 3.44Å; T427-V456 WeakPolarHBondContact O-CG2 3.48Å; T427-V456 PolarHBondContact O-N 2.95Å; T427-M464 HydrophobicContact CG2-CE 3.98Å
428D92.4Very high93.9Very high12 Ų1227.8 Ų27.86%0.06415%0.147CC..  trans-95.96.1177.872.8-38000114.6S301 N302 L311 V456 A459S301-D428 WeakPolarHBondContact CB-OD2 3.39Å; S301-D428 VanDerWaalsContact OG-CG 3.27Å; S301-D428 PolarHBondContact OG-OD1 2.97Å; S301-D428 VanDerWaalsContact OG-OD1 3.05Å; S301-D428 PolarHBondContact OG-OD2 3.28Å; N302-D428 PolarHBondContact N-OD2 3.13Å; N302-D428 PolarHBondContact ND2-OD1 3.44Å; N302-D428 WeakPolarHBondContact OD1-CB 3.46Å; L311-D428 HydrophobicContact CD1-CB 3.42Å; L311-D428 VanDerWaalsContact CD1-CB 3.42Å; D428-V456 WeakPolarHBondContact CA-O 3.45Å; D428-V456 HydrophobicContact CB-CG2 4.24Å; D428-A459 WeakPolarHBondContact O-CB 3.47Å
429G72Confident94.1Very high1 Ų129.3 Ų29.31%0.0115%0.152CC..SBendtrans119.64.4148.700000119.6T427T427-G429 PolarHBondContact OG1-N 3.33Å
430V78.6Confident94.2Very high89 Ų8927.6 Ų27.654%0.53915%0.145SC..  trans-123.7102.5176.6-176.90000110.7T395T395-V430 WeakPolarHBondContact CB-O 3.44Å; T395-V430 WeakPolarHBondContact CG2-O 3.38Å; T395-V430 PolarHBondContact OG1-O 3.36Å
431I89.6Confident94.2Very high16 Ų1627.8 Ų27.88%0.08215%0.145CC..  trans-79.5134.5171.153.5180000111.5F397 L434 A463 M464 L467F397-I431 HydrophobicContact CD1-CG2 4.06Å; F397-I431 HydrophobicContact CD2-CG2 3.6Å; F397-I431 HydrophobicContact CE1-CG2 3.8Å; F397-I431 HydrophobicContact CE2-CG2 3.32Å; F397-I431 HydrophobicContact CG-CG2 3.93Å; F397-I431 HydrophobicContact CZ-CG2 3.39Å; I431-L434 HydrophobicContact CD1-CB 4.13Å; I431-L434 HydrophobicContact CD1-CD1 3.48Å; I431-L434 VanDerWaalsContact CD1-CD1 3.48Å; I431-L434 HydrophobicContact CD1-CG 4.37Å; I431-L434 HydrophobicContact CG1-CB 4.37Å; I431-L434 HydrophobicContact CG1-CD1 4.42Å; I431-A463 HydrophobicContact CD1-CB 3.96Å; I431-A463 HydrophobicContact CG1-CB 3.8Å; I431-M464 HydrophobicContact CB-CE 4.5Å; I431-M464 HydrophobicContact CG2-CE 3.65Å; I431-L467 HydrophobicContact CD1-CD1 3.81Å
432T92.4Very high94.2Very high89 Ų8926.8 Ų26.855%0.54614%0.141SC..SBendtrans-95.7-32.5177.9-53.50000111.9P394 T395 L434P394-T432 HydrophobicContact CB-CG2 3.77Å; P394-T432 WeakPolarHBondContact CB-OG1 3.42Å; P394-T432 HydrophobicContact CG-CG2 4.4Å; T395-T432 PolarHBondContact O-N 2.88Å; T432-L434 PolarHBondContact O-N 3.47Å
433D95Very high94.2Very high8 Ų830 Ų304%0.04316%0.158CC..  trans-97.546.7-177.872.8-21000112.6N396 F397 S398 D435 E436 T437N396-D433 VanDerWaalsContact CA-CG 3.47Å; N396-D433 VanDerWaalsContact CA-OD1 3.25Å; N396-D433 WeakPolarHBondContact CA-OD1 3.27Å; N396-D433 WeakPolarHBondContact CA-OD2 3.4Å; N396-D433 HydrophobicContact CB-CB 4.25Å; N396-D433 WeakPolarHBondContact CB-OD2 3.32Å; F397-D433 PolarHBondContact N-OD1 2.87Å; F397-D433 PolarHBondContact N-OD2 2.94Å; S398-D433 WeakPolarHBondContact CB-OD2 3.49Å; S398-D433 PolarHBondContact N-OD2 2.95Å; S398-D433 PolarHBondContact OG-OD2 2.81Å; D433-D435 VanDerWaalsContact C-N 3.3Å; D433-D435 PolarHBondContact O-N 2.89Å; D433-E436 WeakPolarHBondContact CA-OE2 3.29Å; D433-E436 HydrophobicContact CB-CB 4.2Å; D433-E436 PolarHBondContact O-N 2.69Å; D433-T437 WeakPolarHBondContact O-CB 3.46Å; D433-T437 PolarHBondContact O-N 2.68Å; D433-T437 PolarHBondContact O-OG1 2.79Å; D433-T437 PolarHBondContact OD1-OG1 2.86Å
434L93.9Very high94.1Very high56 Ų5630 Ų3029%0.29316%0.158SC..Hα-helixtrans-56.5-42.3-174.1174.263.7000112.3I431 T432 T437 R438 F466 L467I431-L434 HydrophobicContact CD1-CB 4.13Å; I431-L434 HydrophobicContact CD1-CD1 3.48Å; I431-L434 VanDerWaalsContact CD1-CD1 3.48Å; I431-L434 HydrophobicContact CD1-CG 4.37Å; I431-L434 HydrophobicContact CG1-CB 4.37Å; I431-L434 HydrophobicContact CG1-CD1 4.42Å; T432-L434 PolarHBondContact O-N 3.47Å; L434-T437 PolarHBondContact O-N 2.79Å; L434-R438 HydrophobicContact CD1-CG 4.1Å; L434-R438 HydrophobicContact CG-CG 4.44Å; L434-R438 WeakPolarHBondContact O-CB 3.45Å; L434-R438 WeakPolarHBondContact O-CD 3.46Å; L434-R438 WeakPolarHBondContact O-CG 3.33Å; L434-R438 PolarHBondContact O-N 2.99Å; L434-F466 HydrophobicContact CD1-CD1 4.33Å; L434-L467 HydrophobicContact CD1-CD2 4.07Å; L434-L467 HydrophobicContact CD1-CG 4.46Å
435D95.6Very high94Very high76 Ų7630 Ų3041%0.40616%0.158SC..Hα-helixtrans-70.7-40.9-177.8-82.3-19.1000112.5D433 R438 Q439 P477D433-D435 VanDerWaalsContact C-N 3.3Å; D433-D435 PolarHBondContact O-N 2.89Å; D435-R438 PolarHBondContact O-N 3.41Å; D435-R438 IonicContact OD1-CZ 2.67Å; D435-R438 IonicContact OD1-NH1 3.12Å; D435-R438 PolarHBondContact OD1-NH1 3.07Å; D435-Q439 PolarHBondContact O-N 2.98Å; D435-P477 HydrophobicContact CB-CG 3.62Å; D435-P477 WeakPolarHBondContact O-CG 3.39Å
436E97.6Very high93.9Very high112 Ų11234.1 Ų34.152%0.52317%0.174SC..Hα-helixtrans-65.5-40.2173.2-65.576.1-171.300111.3D433 Q439 A440D433-E436 WeakPolarHBondContact CA-OE2 3.29Å; D433-E436 HydrophobicContact CB-CB 4.2Å; D433-E436 PolarHBondContact O-N 2.69Å; E436-Q439 PolarHBondContact O-N 3.4Å; E436-A440 WeakPolarHBondContact O-CB 3.34Å; E436-A440 PolarHBondContact O-N 3.17Å
437T97.1Very high94Very high0 Ų035.4 Ų35.40%018%0.181CC..Hα-helixtrans-63.8-45.5176.2-70.50000110.9F397 S398 I401 D433 L434 Q439 A440 I441 L467F397-T437 HydrophobicContact CB-CG2 4.15Å; S398-T437 PolarHBondContact N-OG1 2.93Å; I401-T437 HydrophobicContact CD1-CG2 3.98Å; D433-T437 WeakPolarHBondContact O-CB 3.46Å; D433-T437 PolarHBondContact O-N 2.68Å; D433-T437 PolarHBondContact O-OG1 2.79Å; D433-T437 PolarHBondContact OD1-OG1 2.86Å; L434-T437 PolarHBondContact O-N 2.79Å; T437-Q439 VanDerWaalsContact C-N 3.33Å; T437-Q439 PolarHBondContact O-N 2.75Å; T437-A440 PolarHBondContact O-N 2.84Å; T437-I441 HydrophobicContact CG2-CD1 3.73Å; T437-I441 HydrophobicContact CG2-CG1 4.49Å; T437-I441 VanDerWaalsContact O-CG1 3.3Å; T437-I441 WeakPolarHBondContact O-CG1 3.48Å; T437-I441 PolarHBondContact O-N 3.46Å; T437-L467 HydrophobicContact CG2-CD1 3.76Å; T437-L467 HydrophobicContact CG2-CD2 4.43Å
438R96.5Very high94Very high44 Ų4435.5 Ų35.517%0.16618%0.181CC..Hα-helixtrans-57.7-45.9173-73.5165.865.8-163.13.8111.5L434 D435 A440 I441 V442 F466 L467 L474 R475 S476L434-R438 HydrophobicContact CD1-CG 4.1Å; L434-R438 HydrophobicContact CG-CG 4.44Å; L434-R438 WeakPolarHBondContact O-CB 3.45Å; L434-R438 WeakPolarHBondContact O-CD 3.46Å; L434-R438 WeakPolarHBondContact O-CG 3.33Å; L434-R438 PolarHBondContact O-N 2.99Å; D435-R438 PolarHBondContact O-N 3.41Å; D435-R438 IonicContact OD1-CZ 2.67Å; D435-R438 IonicContact OD1-NH1 3.12Å; D435-R438 PolarHBondContact OD1-NH1 3.07Å; R438-A440 VanDerWaalsContact C-N 3.34Å; R438-A440 PolarHBondContact O-N 2.78Å; R438-I441 PolarHBondContact O-N 3.4Å; R438-V442 VanDerWaalsContact O-CG2 3.29Å; R438-V442 WeakPolarHBondContact O-CG2 3.16Å; R438-V442 PolarHBondContact O-N 3.45Å; R438-F466 HydrophobicContact CG-CE1 4.16Å; R438-L467 HydrophobicContact CG-CD2 3.95Å; R438-L474 HydrophobicContact CG-CD1 4.39Å; R438-R475 VanDerWaalsContact CZ-O 3.27Å; R438-R475 PolarHBondContact NE-O 2.97Å; R438-R475 PolarHBondContact NH2-O 3.03Å; R438-S476 PolarHBondContact NH2-O 3.32Å
439Q97.6Very high94.3Very high54 Ų5435 Ų3525%0.25218%0.178SC..Hα-helixtrans-63.1-41.5177.6-173.563.166.300111.7D435 E436 T437 V442 N443D435-Q439 PolarHBondContact O-N 2.98Å; E436-Q439 PolarHBondContact O-N 3.4Å; T437-Q439 VanDerWaalsContact C-N 3.33Å; T437-Q439 PolarHBondContact O-N 2.75Å; Q439-V442 PolarHBondContact O-N 3.49Å; Q439-N443 PolarHBondContact NE2-OD1 2.83Å; Q439-N443 WeakPolarHBondContact O-CB 3.48Å; Q439-N443 PolarHBondContact O-N 2.64Å; Q439-N443 PolarHBondContact O-ND2 3.37Å
440A98.2Very high95.5Very high2 Ų234.9 Ų34.92%0.01718%0.178CC..Hα-helixtrans-63.4-43.4177.700000111.8I401 E436 T437 R438 N443 A444I401-A440 HydrophobicContact CB-CB 4.16Å; I401-A440 HydrophobicContact CG2-CB 3.71Å; E436-A440 WeakPolarHBondContact O-CB 3.34Å; E436-A440 PolarHBondContact O-N 3.17Å; T437-A440 PolarHBondContact O-N 2.84Å; R438-A440 VanDerWaalsContact C-N 3.34Å; R438-A440 PolarHBondContact O-N 2.78Å; A440-N443 PolarHBondContact O-N 3.07Å; A440-A444 WeakPolarHBondContact O-CB 3.48Å; A440-A444 PolarHBondContact O-N 3.08Å
441I97.6Very high96.4Very high3 Ų330.7 Ų30.72%0.01515%0.152CC..Hα-helixtrans-65.1-45.7177.2-66.5161.3000111I401 T437 R438 N443 A444 S445 I451 L467 L474 I486 V487I401-I441 HydrophobicContact CD1-CD1 4.45Å; I401-I441 HydrophobicContact CD1-CG1 4.08Å; T437-I441 HydrophobicContact CG2-CD1 3.73Å; T437-I441 HydrophobicContact CG2-CG1 4.49Å; T437-I441 VanDerWaalsContact O-CG1 3.3Å; T437-I441 WeakPolarHBondContact O-CG1 3.48Å; T437-I441 PolarHBondContact O-N 3.46Å; R438-I441 PolarHBondContact O-N 3.4Å; I441-N443 VanDerWaalsContact C-N 3.3Å; I441-N443 PolarHBondContact O-N 3.16Å; I441-A444 CarbonylContact O-C 3.6Å; I441-A444 PolarHBondContact O-N 3.11Å; I441-S445 PolarHBondContact O-N 3.34Å; I441-I451 HydrophobicContact CG1-CD1 3.94Å; I441-L467 HydrophobicContact CD1-CB 4.38Å; I441-L467 HydrophobicContact CD1-CD1 4.04Å; I441-L467 HydrophobicContact CD1-CD2 3.72Å; I441-L467 HydrophobicContact CD1-CG 4.25Å; I441-L474 HydrophobicContact CB-CD2 3.89Å; I441-L474 HydrophobicContact CD1-CD2 4.28Å; I441-L474 HydrophobicContact CG2-CD2 3.43Å; I441-L474 VanDerWaalsContact CG2-CD2 3.43Å; I441-I486 HydrophobicContact CG2-CD1 3.95Å; I441-I486 HydrophobicContact CG2-CG1 3.89Å; I441-V487 HydrophobicContact CD1-CG2 3.94Å; I441-V487 HydrophobicContact CG1-CG2 4.15Å; I441-V487 HydrophobicContact CG2-CG2 3.68Å
442V97Very high96.8Very high0 Ų029.9 Ų29.90%015%0.148CC..Hα-helixtrans-60.2-42177.1170.30000111R438 Q439 S445 E480 A482R438-V442 VanDerWaalsContact O-CG2 3.29Å; R438-V442 WeakPolarHBondContact O-CG2 3.16Å; R438-V442 PolarHBondContact O-N 3.45Å; Q439-V442 PolarHBondContact O-N 3.49Å; V442-S445 WeakPolarHBondContact O-CB 3.42Å; V442-S445 PolarHBondContact O-N 3.26Å; V442-S445 PolarHBondContact O-OG 3.28Å; V442-E480 HydrophobicContact CG1-CB 4.3Å; V442-E480 HydrophobicContact CG1-CG 3.98Å; V442-A482 HydrophobicContact CG2-CB 4.15Å
443N97.5Very high96.9Very high69 Ų6925.7 Ų25.737%0.36912%0.122SC..Hα-helixtrans-64.7-45.8174.7-68.7-15.1000111.8Q439 A440 I441 S445 R446Q439-N443 PolarHBondContact NE2-OD1 2.83Å; Q439-N443 WeakPolarHBondContact O-CB 3.48Å; Q439-N443 PolarHBondContact O-N 2.64Å; Q439-N443 PolarHBondContact O-ND2 3.37Å; A440-N443 PolarHBondContact O-N 3.07Å; I441-N443 VanDerWaalsContact C-N 3.3Å; I441-N443 PolarHBondContact O-N 3.16Å; N443-S445 PolarHBondContact O-N 3.1Å; N443-R446 PolarHBondContact O-N 3.34Å
444A98Very high97Very high0 Ų025.3 Ų25.30%012%0.12CC..Hα-helixtrans-64.2-24.2178.700000113.3A440 I441 R446 L447 M449 R484 I486A440-A444 WeakPolarHBondContact O-CB 3.48Å; A440-A444 PolarHBondContact O-N 3.08Å; I441-A444 CarbonylContact O-C 3.6Å; I441-A444 PolarHBondContact O-N 3.11Å; A444-R446 PolarHBondContact O-N 2.9Å; A444-L447 WeakPolarHBondContact O-CB 3.45Å; A444-L447 PolarHBondContact O-N 2.8Å; A444-M449 HydrophobicContact CB-CE 4.13Å; A444-M449 HydrophobicContact CB-CG 4.16Å; A444-M449 HydrophobicContact CB-SD 3.6Å; A444-M449 VanDerWaalsContact CB-SD 3.6Å; A444-R484 PolarHBondContact O-NH2 3.17Å; A444-I486 HydrophobicContact CB-CD1 3.63Å
445S96.4Very high97Very high0 Ų022.6 Ų22.60%011%0.106CC..THydrogen-bonded Turntrans-59.5-12.4176.478.30000113.4I441 V442 N443 I483 R484I441-S445 PolarHBondContact O-N 3.34Å; V442-S445 WeakPolarHBondContact O-CB 3.42Å; V442-S445 PolarHBondContact O-N 3.26Å; V442-S445 PolarHBondContact O-OG 3.28Å; N443-S445 PolarHBondContact O-N 3.1Å; S445-I483 WeakPolarHBondContact O-CD1 3.4Å; S445-I483 WeakPolarHBondContact O-CG1 3.14Å; S445-I483 PolarHBondContact OG-N 3.11Å; S445-I483 VanDerWaalsContact OG-N 3.1Å; S445-R484 VanDerWaalsContact O-CD 3.28Å; S445-R484 WeakPolarHBondContact O-CD 3.16Å; S445-R484 WeakPolarHBondContact O-CG 3.24Å; S445-R484 PolarHBondContact O-NE 3.04Å
446R96.1Very high97Very high86 Ų8619 Ų1933%0.3259%0.087SC..THydrogen-bonded Turntrans-95.9-4.1176-63.3172.7176.81188.2114.7N443 A444 E480 I483 Y522N443-R446 PolarHBondContact O-N 3.34Å; A444-R446 PolarHBondContact O-N 2.9Å; R446-E480 IonicContact CZ-OE1 3.31Å; R446-E480 IonicContact NH1-OE1 3.36Å; R446-E480 PolarHBondContact NH1-OE1 3.03Å; R446-E480 IonicContact NH2-OE1 2.7Å; R446-E480 PolarHBondContact NH2-OE1 2.85Å; R446-I483 HydrophobicContact CB-CD1 4.39Å; R446-I483 HydrophobicContact CG-CD1 3.77Å; R446-I483 HydrophobicContact CG-CG1 4.02Å; R446-Y522 PolarHBondContact O-OH 2.91Å
447L98.1Very high96.8Very high27 Ų2714.2 Ų14.214%0.1417%0.067CC..SBendtrans-109.3162.3-169.7-54.4-177.3000110.8A405 A408 A409 T412 A444 M449 R484 Y518A405-L447 HydrophobicContact CB-CD1 3.78Å; A405-L447 WeakPolarHBondContact O-CD1 3.42Å; A408-L447 HydrophobicContact CB-CB 3.82Å; A408-L447 HydrophobicContact CB-CD1 4.31Å; A409-L447 HydrophobicContact CB-CD1 4.13Å; A409-L447 HydrophobicContact CB-CD2 4.01Å; T412-L447 HydrophobicContact CG2-CD2 4.03Å; A444-L447 WeakPolarHBondContact O-CB 3.45Å; A444-L447 PolarHBondContact O-N 2.8Å; L447-M449 HydrophobicContact CB-CG 4.21Å; L447-M449 HydrophobicContact CB-SD 4.43Å; L447-M449 HydrophobicContact CD1-SD 4.45Å; L447-M449 PolarHBondContact O-N 2.83Å; L447-R484 PolarHBondContact O-NH2 2.88Å; L447-Y518 WeakPolarHBondContact O-CD2 3.41Å; L447-Y518 VanDerWaalsContact O-CE2 3.32Å; L447-Y518 WeakPolarHBondContact O-CE2 3.5Å
448P97.7Very high96.4Very high2 Ų217.5 Ų17.51%0.01310%0.101CC..SBendtrans-75.465.5176.430.7-34.3000111.1A408 A411 Y420 F421 Y518A408-P448 HydrophobicContact CB-CG 4.18Å; A408-P448 WeakPolarHBondContact O-CD 3.48Å; A408-P448 WeakPolarHBondContact O-CG 3.27Å; A411-P448 HydrophobicContact CB-CG 4.04Å; Y420-P448 WeakPolarHBondContact CA-O 3.27Å; Y420-P448 HydrophobicContact CD2-CB 3.92Å; Y420-P448 HydrophobicContact CE2-CB 4.39Å; F421-P448 HydrophobicContact CD2-CG 4.44Å; F421-P448 WeakPolarHBondContact CD2-O 3.49Å; F421-P448 PolarHBondContact N-O 3.37Å; P448-Y518 HydrophobicContact CB-CD1 3.92Å; P448-Y518 HydrophobicContact CB-CE1 3.46Å; P448-Y518 VanDerWaalsContact CB-CE1 3.46Å; P448-Y518 HydrophobicContact CB-CE2 4.38Å; P448-Y518 WeakPolarHBondContact CD-OH 3.47Å; P448-Y518 HydrophobicContact CG-CE1 4.33Å
449M97.9Very high96Very high0 Ų017 Ų170%011%0.107CC..EExtended strand (participates in β ladder)trans-146.6153.4-17971-177.8-76.100115.2V404 A405 A408 Y420 F421 A444 L447 I451 R484V404-M449 HydrophobicContact CB-CE 4.14Å; V404-M449 HydrophobicContact CG1-CE 3.97Å; A405-M449 HydrophobicContact CB-SD 3.87Å; A408-M449 HydrophobicContact CB-CB 4.03Å; A408-M449 HydrophobicContact CB-CG 4.26Å; A408-M449 HydrophobicContact CB-SD 4.01Å; Y420-M449 PolarHBondContact OH-O 3.32Å; F421-M449 HydrophobicContact CB-CB 3.95Å; F421-M449 CarbonylContact O-C 3.54Å; F421-M449 WeakPolarHBondContact O-CA 3.15Å; F421-M449 WeakPolarHBondContact O-CB 3.22Å; A444-M449 HydrophobicContact CB-CE 4.13Å; A444-M449 HydrophobicContact CB-CG 4.16Å; A444-M449 HydrophobicContact CB-SD 3.6Å; A444-M449 VanDerWaalsContact CB-SD 3.6Å; L447-M449 HydrophobicContact CB-CG 4.21Å; L447-M449 HydrophobicContact CB-SD 4.43Å; L447-M449 HydrophobicContact CD1-SD 4.45Å; L447-M449 PolarHBondContact O-N 2.83Å; M449-I451 HydrophobicContact CE-CD1 4.26Å; M449-I451 HydrophobicContact CE-CG1 4Å; M449-R484 PolarHBondContact O-NH1 3.32Å; M449-R484 PolarHBondContact O-NH2 2.89Å
450S97.8Very high95.5Very high0 Ų019.7 Ų19.70%012%0.123CC..EExtended strand (participates in β ladder)trans-125.5154.4170.4-64.50000110.7Y420 F421 L423 I486 I511 Q514Y420-S450 WeakPolarHBondContact CE1-OG 3.47Å; Y420-S450 PolarHBondContact OH-OG 3.37Å; F421-S450 PolarHBondContact O-N 3.04Å; L423-S450 PolarHBondContact N-O 2.9Å; S450-I486 CarbonylContact C-O 3.59Å; S450-I486 WeakPolarHBondContact CA-O 3.33Å; S450-I511 VanDerWaalsContact CB-CD1 3.46Å; S450-Q514 PolarHBondContact OG-OE1 3.21Å
451I97.8Very high95.2Very high0 Ų019.6 Ų19.60%012%0.122CC..EExtended strand (participates in β ladder)trans-125.7127179.3-56.3168.1000107.2I401 L423 I425 I441 M449 I453 I486 V487 Q488I401-I451 HydrophobicContact CD1-CD1 4.19Å; I401-I451 HydrophobicContact CG1-CD1 4.12Å; I401-I451 HydrophobicContact CG2-CD1 3.87Å; L423-I451 CarbonylContact O-C 3.6Å; L423-I451 WeakPolarHBondContact O-CA 3.14Å; I425-I451 HydrophobicContact CD1-CG2 4.12Å; I441-I451 HydrophobicContact CG1-CD1 3.94Å; M449-I451 HydrophobicContact CE-CD1 4.26Å; M449-I451 HydrophobicContact CE-CG1 4Å; I451-I453 HydrophobicContact CG2-CD1 4.48Å; I451-I453 HydrophobicContact CG2-CG1 4.03Å; I451-I486 HydrophobicContact CD1-CD1 3.91Å; I451-I486 HydrophobicContact CD1-CG1 4.28Å; I451-I486 HydrophobicContact CG1-CD1 4.43Å; I451-I486 PolarHBondContact N-O 2.77Å; I451-V487 HydrophobicContact CB-CG2 4.34Å; I451-V487 HydrophobicContact CD1-CG2 4.46Å; I451-V487 CarbonylContact O-C 3.48Å; I451-V487 VanDerWaalsContact O-CA 3.26Å; I451-V487 WeakPolarHBondContact O-CA 3.36Å; I451-Q488 PolarHBondContact O-N 3.22Å
452I96.5Very high94.8Very high0 Ų022.6 Ų22.60%014%0.143CC..EExtended strand (participates in β ladder)trans-111.2131.9173.3-68.7168.1000106.9V329 V422 L423 L424 I425 V454 Q488 V507 L508 I511V329-I452 HydrophobicContact CG1-CD1 4.4Å; V422-I452 HydrophobicContact CG1-CD1 3.7Å; V422-I452 HydrophobicContact CG1-CG1 4.36Å; L423-I452 PolarHBondContact O-N 3.29Å; L424-I452 CarbonylContact C-O 3.41Å; L424-I452 WeakPolarHBondContact CA-O 3.41Å; L424-I452 HydrophobicContact CD1-CB 4.15Å; L424-I452 HydrophobicContact CD1-CG2 3.51Å; I425-I452 PolarHBondContact N-O 2.83Å; I452-V454 HydrophobicContact CG2-CG2 4.17Å; I452-Q488 CarbonylContact C-O 2.81Å; I452-Q488 WeakPolarHBondContact CA-O 3.4Å; I452-V507 HydrophobicContact CB-CG1 4.33Å; I452-V507 HydrophobicContact CD1-CG1 3.86Å; I452-V507 HydrophobicContact CG1-CG1 4.23Å; I452-V507 HydrophobicContact CG2-CB 4.48Å; I452-V507 HydrophobicContact CG2-CG1 3.24Å; I452-L508 HydrophobicContact CD1-CD2 3.8Å; I452-I511 HydrophobicContact CD1-CD1 4.04Å; I452-I511 HydrophobicContact CD1-CG1 4.21Å; I452-I511 HydrophobicContact CG1-CD1 4.2Å
453I95.8Very high94.5Very high0 Ų024 Ų240%015%0.154CC..EExtended strand (participates in β ladder)trans-120.6117.7176-52.9177.9000108.4F397 I425 T427 I451 M464 L467 V487 Q488 F489 V490F397-I453 HydrophobicContact CD2-CD1 4.37Å; F397-I453 HydrophobicContact CE2-CD1 4.2Å; F397-I453 HydrophobicContact CE2-CG2 4.21Å; I425-I453 HydrophobicContact CB-CG1 4.41Å; I425-I453 CarbonylContact O-C 3.59Å; I425-I453 WeakPolarHBondContact O-CA 3.42Å; T427-I453 HydrophobicContact CG2-CG2 3.99Å; I451-I453 HydrophobicContact CG2-CD1 4.48Å; I451-I453 HydrophobicContact CG2-CG1 4.03Å; I453-M464 HydrophobicContact CG2-CG 4.09Å; I453-L467 HydrophobicContact CD1-CD1 4.28Å; I453-V487 HydrophobicContact CD1-CG1 3.86Å; I453-V487 HydrophobicContact CG1-CG1 4.3Å; I453-Q488 PolarHBondContact N-O 3.15Å; I453-F489 HydrophobicContact CB-CD2 4.02Å; I453-F489 HydrophobicContact CG2-CD2 3.88Å; I453-F489 HydrophobicContact CG2-CE2 4.37Å; I453-F489 WeakPolarHBondContact O-CA 3.41Å; I453-F489 WeakPolarHBondContact O-CD2 3.44Å; I453-V490 PolarHBondContact O-N 2.81Å
454V95.8Very high94.1Very high0 Ų020.7 Ų20.70%014%0.137CC..EExtended strand (participates in β ladder)trans-105.8115.3173.3-179.50000109.2A325 L424 I425 I426 T427 I452 V490 F492 V507A325-V454 HydrophobicContact CB-CB 4.43Å; A325-V454 HydrophobicContact CB-CG1 3.87Å; L424-V454 HydrophobicContact CD1-CG2 3.77Å; I425-V454 PolarHBondContact O-N 2.93Å; I426-V454 WeakPolarHBondContact CA-O 3.17Å; I426-V454 HydrophobicContact CG1-CB 4.5Å; T427-V454 PolarHBondContact N-O 2.8Å; T427-V454 VanDerWaalsContact N-O 3.09Å; I452-V454 HydrophobicContact CG2-CG2 4.17Å; V454-V490 WeakPolarHBondContact CA-O 3.32Å; V454-F492 HydrophobicContact CG1-CB 4.18Å; V454-F492 HydrophobicContact CG1-CD2 4.37Å; V454-V507 HydrophobicContact CG2-CG2 3.96Å
455G95.7Very high93.8Very high0 Ų025.8 Ų25.80%016%0.161CC..EExtended strand (participates in β ladder)trans-87.1114.6177.200000111.6T427 F461 V490 P491 F492T427-G455 CarbonylContact O-C 3.57Å; T427-G455 WeakPolarHBondContact O-CA 3.44Å; G455-F461 VanDerWaalsContact CA-CE1 3.41Å; G455-V490 PolarHBondContact N-O 3.28Å; G455-P491 CarbonylContact O-C 3.55Å; G455-F492 VanDerWaalsContact O-CB 3.24Å; G455-F492 WeakPolarHBondContact O-CB 3.41Å; G455-F492 PolarHBondContact O-N 3.24Å
456V95.1Very high93.4Very high0 Ų030.9 Ų30.90%018%0.183CC..  trans-98.6154.8177.3-64.20000111.8L311 E321 Y322 I426 T427 D428 F461 F492L311-V456 HydrophobicContact CD1-CG2 4.31Å; E321-V456 HydrophobicContact CB-CB 3.94Å; E321-V456 HydrophobicContact CB-CG1 3.71Å; E321-V456 WeakPolarHBondContact OE2-CA 3.4Å; E321-V456 WeakPolarHBondContact OE2-CB 3.3Å; Y322-V456 HydrophobicContact CD2-CG2 4.08Å; Y322-V456 HydrophobicContact CE1-CG2 4.18Å; Y322-V456 HydrophobicContact CE2-CG2 3.51Å; I426-V456 HydrophobicContact CG2-CG1 3.72Å; I426-V456 HydrophobicContact CG2-CG2 4.38Å; T427-V456 WeakPolarHBondContact O-CG2 3.48Å; T427-V456 PolarHBondContact O-N 2.95Å; D428-V456 WeakPolarHBondContact CA-O 3.45Å; D428-V456 HydrophobicContact CB-CG2 4.24Å; V456-F461 WeakPolarHBondContact O-CZ 3.43Å; V456-F492 HydrophobicContact CG1-CB 4.16Å; V456-F492 HydrophobicContact CG1-CG 4.42Å
457G92.7Very high93.2Very high11 Ų1126.8 Ų26.811%0.11317%0.168CC..SBendtrans74.3-158.4-178.400000114.5E321E321-G457 PolarHBondContact OE2-N 3.41Å
458G87.9Confident92.6Very high69 Ų6926.3 Ų26.371%0.71117%0.165SC*.SBendtrans-11110.8-164.700000115.9
459A88.2Confident91.5Very high34 Ų3426.8 Ų26.828%0.28117%0.17SC..SBendtrans-68.4176.3-174.500000113.9D428 F461 R493D428-A459 WeakPolarHBondContact O-CB 3.47Å; A459-F461 WeakPolarHBondContact O-CD2 3.48Å; A459-R493 PolarHBondContact O-NH1 3.19Å
460D88.4Confident90.4Very high110 Ų11032.2 Ų32.259%0.58820%0.199SC*.  trans-78.8119.4168.8177.815.8000109.7S462D460-S462 WeakPolarHBondContact OD1-CB 3.07Å; D460-S462 PolarHBondContact OD1-N 3.46Å; D460-S462 PolarHBondContact OD1-OG 3.39Å
461F91Very high88.7Confident1 Ų136.4 Ų36.40%0.00424%0.243CC..  trans-104.814.9-178.6-64.6-68.4000113.3G455 V456 A459 A463 M464 E465 F489 P491G455-F461 VanDerWaalsContact CA-CE1 3.41Å; V456-F461 WeakPolarHBondContact O-CZ 3.43Å; A459-F461 WeakPolarHBondContact O-CD2 3.48Å; F461-A463 PolarHBondContact O-N 2.99Å; F461-A463 VanDerWaalsContact O-N 3.09Å; F461-M464 HydrophobicContact CD1-SD 4.36Å; F461-M464 PolarHBondContact O-N 2.84Å; F461-E465 PolarHBondContact O-N 3.16Å; F461-F489 HydrophobicContact CB-CE1 3.7Å; F461-F489 HydrophobicContact CB-CE2 4.4Å; F461-F489 HydrophobicContact CB-CZ 3.4Å; F461-F489 VanDerWaalsContact CB-CZ 3.4Å; F461-F489 HydrophobicContact CD1-CE2 4.07Å; F461-F489 AromaticContact CD1-CZ 3.71Å; F461-F489 HydrophobicContact CD1-CZ 3.71Å; F461-F489 HydrophobicContact CD2-CZ 4.13Å; F461-F489 HydrophobicContact CE1-CZ 4.48Å; F461-F489 HydrophobicContact CG-CE1 4.26Å; F461-F489 HydrophobicContact CG-CE2 4.32Å; F461-F489 AromaticContact CG-CZ 3.49Å; F461-F489 HydrophobicContact CG-CZ 3.49Å; F461-F489 VanDerWaalsContact CG-CZ 3.49Å; F461-P491 HydrophobicContact CD2-CB 4.1Å; F461-P491 HydrophobicContact CE2-CB 4.27Å
462S90.1Very high87.5Confident65 Ų6538.6 Ų38.646%0.45527%0.266SS..Hα-helixtrans-52.6-35.5-178.7-61.40000113.1D460 F466D460-S462 WeakPolarHBondContact OD1-CB 3.07Å; D460-S462 PolarHBondContact OD1-N 3.46Å; D460-S462 PolarHBondContact OD1-OG 3.39Å; S462-F466 WeakPolarHBondContact O-CB 3.36Å; S462-F466 PolarHBondContact O-N 3.26Å
463A89.6Confident86.8Confident29 Ų2942.8 Ų42.824%0.2430%0.295CS..Hα-helixtrans-67.9-35177.500000112.5I431 F461 F466 L467I431-A463 HydrophobicContact CD1-CB 3.96Å; I431-A463 HydrophobicContact CG1-CB 3.8Å; F461-A463 PolarHBondContact O-N 2.99Å; F461-A463 VanDerWaalsContact O-N 3.09Å; A463-F466 WeakPolarHBondContact O-CB 3.29Å; A463-F466 PolarHBondContact O-N 3.04Å; A463-L467 WeakPolarHBondContact O-CG 3.39Å; A463-L467 PolarHBondContact O-N 3.46Å
464M90.8Very high86.6Confident0 Ų043.4 Ų43.40%030%0.298CS..Hα-helixtrans-77.1-39.6178.9-6964.4177.400111.1F397 T427 I431 I453 F461 F466 L467 D468 F489F397-M464 HydrophobicContact CE2-CE 4.07Å; F397-M464 HydrophobicContact CZ-CE 3.93Å; T427-M464 HydrophobicContact CG2-CE 3.98Å; I431-M464 HydrophobicContact CB-CE 4.5Å; I431-M464 HydrophobicContact CG2-CE 3.65Å; I453-M464 HydrophobicContact CG2-CG 4.09Å; F461-M464 HydrophobicContact CD1-SD 4.36Å; F461-M464 PolarHBondContact O-N 2.84Å; M464-F466 PolarHBondContact O-N 2.9Å; M464-L467 WeakPolarHBondContact O-CB 3.45Å; M464-L467 PolarHBondContact O-N 3.29Å; M464-D468 PolarHBondContact O-N 3.48Å; M464-D468 VanDerWaalsContact O-N 3.11Å; M464-F489 HydrophobicContact CB-CB 4.33Å; M464-F489 HydrophobicContact CB-CD1 3.87Å; M464-F489 HydrophobicContact CB-CD2 3.4Å; M464-F489 HydrophobicContact CB-CE1 4.01Å; M464-F489 HydrophobicContact CB-CE2 3.56Å; M464-F489 HydrophobicContact CB-CG 3.57Å; M464-F489 HydrophobicContact CB-CZ 3.88Å; M464-F489 HydrophobicContact CG-CD2 3.97Å; M464-F489 HydrophobicContact CG-CE2 3.9Å; M464-F489 HydrophobicContact CG-CZ 4.49Å
465E89.9Confident86.5Confident107 Ų10749.6 Ų49.650%0.532%0.321SS..Hα-helixtrans-59.1-35.2171.3-67.1174.8-178.300111.3F461 L467 F489F461-E465 PolarHBondContact O-N 3.16Å; E465-L467 VanDerWaalsContact C-N 3.34Å; E465-F489 HydrophobicContact CG-CD1 3.87Å; E465-F489 HydrophobicContact CG-CE1 3.85Å
466F89.3Confident86.4Confident107 Ų10749.7 Ų49.747%0.46932%0.322SS..Hα-helixtrans-67.1-31.4172.3174-98.5000113.4L434 R438 S462 A463 M464 L474L434-F466 HydrophobicContact CD1-CD1 4.33Å; R438-F466 HydrophobicContact CG-CE1 4.16Å; S462-F466 WeakPolarHBondContact O-CB 3.36Å; S462-F466 PolarHBondContact O-N 3.26Å; A463-F466 WeakPolarHBondContact O-CB 3.29Å; A463-F466 PolarHBondContact O-N 3.04Å; M464-F466 PolarHBondContact O-N 2.9Å; F466-L474 HydrophobicContact CD1-CD1 4.26Å; F466-L474 HydrophobicContact CE1-CD1 3.73Å; F466-L474 HydrophobicContact CZ-CD1 4.08Å
467L90.6Very high86.3Confident1 Ų153 Ų531%0.00534%0.343CS..Hα-helixtrans-78-24.9178.6-67.4179.3000113.4I431 L434 T437 R438 I441 I453 A463 M464 E465 G469 L474 V487I431-L467 HydrophobicContact CD1-CD1 3.81Å; L434-L467 HydrophobicContact CD1-CD2 4.07Å; L434-L467 HydrophobicContact CD1-CG 4.46Å; T437-L467 HydrophobicContact CG2-CD1 3.76Å; T437-L467 HydrophobicContact CG2-CD2 4.43Å; R438-L467 HydrophobicContact CG-CD2 3.95Å; I441-L467 HydrophobicContact CD1-CB 4.38Å; I441-L467 HydrophobicContact CD1-CD1 4.04Å; I441-L467 HydrophobicContact CD1-CD2 3.72Å; I441-L467 HydrophobicContact CD1-CG 4.25Å; I453-L467 HydrophobicContact CD1-CD1 4.28Å; A463-L467 WeakPolarHBondContact O-CG 3.39Å; A463-L467 PolarHBondContact O-N 3.46Å; M464-L467 WeakPolarHBondContact O-CB 3.45Å; M464-L467 PolarHBondContact O-N 3.29Å; E465-L467 VanDerWaalsContact C-N 3.34Å; L467-G469 PolarHBondContact O-N 2.84Å; L467-G469 VanDerWaalsContact O-N 3.12Å; L467-L474 HydrophobicContact CD2-CD1 4.2Å; L467-L474 HydrophobicContact CD2-CD2 4.34Å; L467-V487 HydrophobicContact CB-CG1 4.25Å; L467-V487 WeakPolarHBondContact O-CB 3.3Å
468D86.4Confident86.4Confident16 Ų1656.7 Ų56.79%0.08637%0.368CS..THydrogen-bonded Turntrans-63.9-10.3-174.8-155.222.7000114.9M464 D470 Q488 F489M464-D468 PolarHBondContact O-N 3.48Å; M464-D468 VanDerWaalsContact O-N 3.11Å; D468-D470 PolarHBondContact O-N 2.97Å; D468-Q488 WeakPolarHBondContact OD1-CA 3.42Å; D468-Q488 PolarHBondContact OD1-NE2 2.76Å; D468-F489 HydrophobicContact CB-CB 4.04Å; D468-F489 PolarHBondContact OD1-N 3.31Å
469G74.3Confident86.6Confident12 Ų1255.2 Ų55.212%0.12435%0.352CS..SBendtrans70.6-18.2171.600000116.7L467 G471 G472 D485L467-G469 PolarHBondContact O-N 2.84Å; L467-G469 VanDerWaalsContact O-N 3.12Å; G469-G471 PolarHBondContact O-N 3.26Å; G469-G471 VanDerWaalsContact O-N 3.09Å; G469-G472 CarbonylContact O-C 3.59Å; G469-G472 PolarHBondContact O-N 3.4Å; G469-D485 WeakPolarHBondContact CA-OD2 3.22Å
470D74.1Confident86.9Confident114 Ų11456.8 Ų56.861%0.6135%0.354SS*.THydrogen-bonded Turntrans-55.2-29.4177-88.5-15.4000113.8D468 G472D468-D470 PolarHBondContact O-N 2.97Å; D470-G472 VanDerWaalsContact C-N 3.32Å; D470-G472 PolarHBondContact O-N 3.37Å
471G62Low87.2Confident89 Ų8953.8 Ų53.892%0.91834%0.34SS*.THydrogen-bonded Turntrans-81.7-1.6177.100000115.3G469G469-G471 PolarHBondContact O-N 3.26Å; G469-G471 VanDerWaalsContact O-N 3.09Å
472G72.6Confident87.3Confident46 Ų4654.4 Ų54.447%0.47435%0.345SS..SBendtrans133.4172.6-177.400000113.3G469 D470 L474G469-G472 CarbonylContact O-C 3.59Å; G469-G472 PolarHBondContact O-N 3.4Å; D470-G472 VanDerWaalsContact C-N 3.32Å; D470-G472 PolarHBondContact O-N 3.37Å; G472-L474 PolarHBondContact O-N 3.15Å; G472-L474 VanDerWaalsContact O-N 3.11Å
473S83.6Confident87.5Confident88 Ų8855.5 Ų55.562%0.61535%0.345SS*.  trans-66.1115.6-173-46.20000113
474L91.5Very high87.6Confident13 Ų1356.1 Ų56.17%0.06834%0.341CS..  trans-55.3137.6175.1-173.469.8000110.9R438 I441 F466 L467 G472 A482R438-L474 HydrophobicContact CG-CD1 4.39Å; I441-L474 HydrophobicContact CB-CD2 3.89Å; I441-L474 HydrophobicContact CD1-CD2 4.28Å; I441-L474 HydrophobicContact CG2-CD2 3.43Å; I441-L474 VanDerWaalsContact CG2-CD2 3.43Å; F466-L474 HydrophobicContact CD1-CD1 4.26Å; F466-L474 HydrophobicContact CE1-CD1 3.73Å; F466-L474 HydrophobicContact CZ-CD1 4.08Å; L467-L474 HydrophobicContact CD2-CD1 4.2Å; L467-L474 HydrophobicContact CD2-CD2 4.34Å; G472-L474 PolarHBondContact O-N 3.15Å; G472-L474 VanDerWaalsContact O-N 3.11Å; L474-A482 HydrophobicContact CB-CB 4.29Å; L474-A482 PolarHBondContact O-N 2.82Å
475R93.2Very high87.7Confident129 Ų12958.8 Ų58.849%0.48736%0.355SS..BIsolated β-bridgetrans-120.8145.1179.2-67.8176-175.7-91.3-3.1111.9R438 G479 E480 V481R438-R475 VanDerWaalsContact CZ-O 3.27Å; R438-R475 PolarHBondContact NE-O 2.97Å; R438-R475 PolarHBondContact NH2-O 3.03Å; R475-G479 PolarHBondContact NH1-O 2.84Å; R475-E480 CarbonylContact C-O 3.54Å; R475-E480 WeakPolarHBondContact CA-O 3.42Å; R475-V481 HydrophobicContact CG-CG2 4.18Å; R475-V481 VanDerWaalsContact CZ-CG2 3.45Å
476S93.4Very high87.9Confident2 Ų253.8 Ų53.81%0.01433%0.331CS..  trans-69166.916972.40000110.6R438 S478 G479 E480R438-S476 PolarHBondContact NH2-O 3.32Å; S476-S478 PolarHBondContact O-N 2.76Å; S476-S478 PolarHBondContact OG-N 2.84Å; S476-S478 PolarHBondContact OG-OG 2.86Å; S476-G479 PolarHBondContact O-N 2.79Å; S476-G479 PolarHBondContact OG-N 2.8Å; S476-E480 PolarHBondContact N-O 2.92Å; S476-E480 VanDerWaalsContact OG-CB 3.32Å; S476-E480 WeakPolarHBondContact OG-CB 3.31Å; S476-E480 PolarHBondContact OG-N 2.9Å
477P92.7Very high88.2Confident69 Ų6948.7 Ų48.745%0.44831%0.309SS..THydrogen-bonded Turntrans-57.9-27.6169.6-25.135.6000113.5D435 G479D435-P477 HydrophobicContact CB-CG 3.62Å; D435-P477 WeakPolarHBondContact O-CG 3.39Å; P477-G479 VanDerWaalsContact C-N 3.29Å; P477-G479 PolarHBondContact O-N 3.17Å
478S94Very high88.4Confident89 Ų8949.5 Ų49.562%0.62231%0.313SS*.THydrogen-bonded Turntrans-81.1-2.5175.4600000114.3S476S476-S478 PolarHBondContact O-N 2.76Å; S476-S478 PolarHBondContact OG-N 2.84Å; S476-S478 PolarHBondContact OG-OG 2.86Å
479G93.1Very high88.7Confident38 Ų3849.2 Ų49.239%0.39231%0.311SS..  trans89.6-0.4178.200000115.2R475 S476 P477R475-G479 PolarHBondContact NH1-O 2.84Å; S476-G479 PolarHBondContact O-N 2.79Å; S476-G479 PolarHBondContact OG-N 2.8Å; P477-G479 VanDerWaalsContact C-N 3.29Å; P477-G479 PolarHBondContact O-N 3.17Å
480E94.8Very high89.6Confident68 Ų6848.9 Ų48.932%0.31831%0.307SS..PPolyproline II helixtrans-66.1137.9175.8-172.3179.9-167.400110.8V442 R446 R475 S476V442-E480 HydrophobicContact CG1-CB 4.3Å; V442-E480 HydrophobicContact CG1-CG 3.98Å; R446-E480 IonicContact CZ-OE1 3.31Å; R446-E480 IonicContact NH1-OE1 3.36Å; R446-E480 PolarHBondContact NH1-OE1 3.03Å; R446-E480 IonicContact NH2-OE1 2.7Å; R446-E480 PolarHBondContact NH2-OE1 2.85Å; R475-E480 CarbonylContact C-O 3.54Å; R475-E480 WeakPolarHBondContact CA-O 3.42Å; S476-E480 PolarHBondContact N-O 2.92Å; S476-E480 VanDerWaalsContact OG-CB 3.32Å; S476-E480 WeakPolarHBondContact OG-CB 3.31Å; S476-E480 PolarHBondContact OG-N 2.9Å
481V94.4Very high90.5Very high47 Ų4743.9 Ų43.929%0.28528%0.28SS..BIsolated β-bridgetrans-94.6135.5-175.3-170.30000110.1R475 I483R475-V481 HydrophobicContact CG-CG2 4.18Å; R475-V481 VanDerWaalsContact CZ-CG2 3.45Å; V481-I483 PolarHBondContact O-N 2.98Å
482A94Very high91.9Very high13 Ų1340.4 Ų40.411%0.10724%0.24CC..PPolyproline II helixtrans-59.4129.316700000109.7V442 L474 R484V442-A482 HydrophobicContact CG2-CB 4.15Å; L474-A482 HydrophobicContact CB-CB 4.29Å; L474-A482 PolarHBondContact O-N 2.82Å; A482-R484 PolarHBondContact O-N 2.81Å
483I92.6Very high92.7Very high89 Ų8943.3 Ų43.346%0.45624%0.237SC..SBendtrans-77.7-13.8-172.362.4156.7000113.4S445 R446 V481S445-I483 WeakPolarHBondContact O-CD1 3.4Å; S445-I483 WeakPolarHBondContact O-CG1 3.14Å; S445-I483 PolarHBondContact OG-N 3.11Å; S445-I483 VanDerWaalsContact OG-N 3.1Å; R446-I483 HydrophobicContact CB-CD1 4.39Å; R446-I483 HydrophobicContact CG-CD1 3.77Å; R446-I483 HydrophobicContact CG-CG1 4.02Å; V481-I483 PolarHBondContact O-N 2.98Å
484R92.4Very high92.9Very high42 Ų4245.4 Ų45.416%0.15824%0.237CC..SBendtrans-157.3155.7177.758-175.7-173.180.520.2108.4Y420 A444 S445 L447 M449 A482 I486Y420-R484 PolarHBondContact OH-NH1 2.96Å; A444-R484 PolarHBondContact O-NH2 3.17Å; S445-R484 VanDerWaalsContact O-CD 3.28Å; S445-R484 WeakPolarHBondContact O-CD 3.16Å; S445-R484 WeakPolarHBondContact O-CG 3.24Å; S445-R484 PolarHBondContact O-NE 3.04Å; L447-R484 PolarHBondContact O-NH2 2.88Å; M449-R484 PolarHBondContact O-NH1 3.32Å; M449-R484 PolarHBondContact O-NH2 2.89Å; A482-R484 PolarHBondContact O-N 2.81Å; R484-I486 HydrophobicContact CG-CG2 3.85Å
485D92.6Very high92.7Very high55 Ų5546 Ų4629%0.29424%0.239SC..  trans-75.4137.1169.8-152.2-20.4000110.7G469 V487G469-D485 WeakPolarHBondContact CA-OD2 3.22Å; D485-V487 PolarHBondContact OD1-N 3Å
486I95.1Very high92Very high2 Ų245.4 Ų45.41%0.0124%0.242CC..  trans-139-6.5-175.979.3174.5000112.7I441 A444 S450 I451 R484I441-I486 HydrophobicContact CG2-CD1 3.95Å; I441-I486 HydrophobicContact CG2-CG1 3.89Å; A444-I486 HydrophobicContact CB-CD1 3.63Å; S450-I486 CarbonylContact C-O 3.59Å; S450-I486 WeakPolarHBondContact CA-O 3.33Å; I451-I486 HydrophobicContact CD1-CD1 3.91Å; I451-I486 HydrophobicContact CD1-CG1 4.28Å; I451-I486 HydrophobicContact CG1-CD1 4.43Å; I451-I486 PolarHBondContact N-O 2.77Å; R484-I486 HydrophobicContact CG-CG2 3.85Å
487V95.1Very high91.3Very high0 Ų053.4 Ų53.40%028%0.284CS..EExtended strand (participates in β ladder)trans-108.1132.1-174.5-179.10000107.3I441 I451 I453 L467 D485I441-V487 HydrophobicContact CD1-CG2 3.94Å; I441-V487 HydrophobicContact CG1-CG2 4.15Å; I441-V487 HydrophobicContact CG2-CG2 3.68Å; I451-V487 HydrophobicContact CB-CG2 4.34Å; I451-V487 HydrophobicContact CD1-CG2 4.46Å; I451-V487 CarbonylContact O-C 3.48Å; I451-V487 VanDerWaalsContact O-CA 3.26Å; I451-V487 WeakPolarHBondContact O-CA 3.36Å; I453-V487 HydrophobicContact CD1-CG1 3.86Å; I453-V487 HydrophobicContact CG1-CG1 4.3Å; L467-V487 HydrophobicContact CB-CG1 4.25Å; L467-V487 WeakPolarHBondContact O-CB 3.3Å; D485-V487 PolarHBondContact OD1-N 3Å
488Q93.7Very high90.7Very high19 Ų1951.8 Ų51.89%0.08928%0.277CS..EExtended strand (participates in β ladder)trans-118121.9163.917969.671.200108.4I451 I452 I453 D468 V490 E510I451-Q488 PolarHBondContact O-N 3.22Å; I452-Q488 CarbonylContact C-O 2.81Å; I452-Q488 WeakPolarHBondContact CA-O 3.4Å; I453-Q488 PolarHBondContact N-O 3.15Å; D468-Q488 WeakPolarHBondContact OD1-CA 3.42Å; D468-Q488 PolarHBondContact OD1-NE2 2.76Å; Q488-V490 HydrophobicContact CG-CG2 4.05Å; Q488-E510 VanDerWaalsContact OE1-CG 3.27Å; Q488-E510 PolarHBondContact OE1-OE1 2.86Å
489F93.3Very high90Very high9 Ų951.8 Ų51.84%0.03927%0.274CS..EExtended strand (participates in β ladder)trans-103.6134.7171.6174.5-114.8000111.4I453 F461 M464 E465 D468 P491I453-F489 HydrophobicContact CB-CD2 4.02Å; I453-F489 HydrophobicContact CG2-CD2 3.88Å; I453-F489 HydrophobicContact CG2-CE2 4.37Å; I453-F489 WeakPolarHBondContact O-CA 3.41Å; I453-F489 WeakPolarHBondContact O-CD2 3.44Å; F461-F489 HydrophobicContact CB-CE1 3.7Å; F461-F489 HydrophobicContact CB-CE2 4.4Å; F461-F489 HydrophobicContact CB-CZ 3.4Å; F461-F489 VanDerWaalsContact CB-CZ 3.4Å; F461-F489 HydrophobicContact CD1-CE2 4.07Å; F461-F489 AromaticContact CD1-CZ 3.71Å; F461-F489 HydrophobicContact CD1-CZ 3.71Å; F461-F489 HydrophobicContact CD2-CZ 4.13Å; F461-F489 HydrophobicContact CE1-CZ 4.48Å; F461-F489 HydrophobicContact CG-CE1 4.26Å; F461-F489 HydrophobicContact CG-CE2 4.32Å; F461-F489 AromaticContact CG-CZ 3.49Å; F461-F489 HydrophobicContact CG-CZ 3.49Å; F461-F489 VanDerWaalsContact CG-CZ 3.49Å; M464-F489 HydrophobicContact CB-CB 4.33Å; M464-F489 HydrophobicContact CB-CD1 3.87Å; M464-F489 HydrophobicContact CB-CD2 3.4Å; M464-F489 HydrophobicContact CB-CE1 4.01Å; M464-F489 HydrophobicContact CB-CE2 3.56Å; M464-F489 HydrophobicContact CB-CG 3.57Å; M464-F489 HydrophobicContact CB-CZ 3.88Å; M464-F489 HydrophobicContact CG-CD2 3.97Å; M464-F489 HydrophobicContact CG-CE2 3.9Å; M464-F489 HydrophobicContact CG-CZ 4.49Å; E465-F489 HydrophobicContact CG-CD1 3.87Å; E465-F489 HydrophobicContact CG-CE1 3.85Å; D468-F489 HydrophobicContact CB-CB 4.04Å; D468-F489 PolarHBondContact OD1-N 3.31Å; F489-P491 HydrophobicContact CE1-CB 4.18Å; F489-P491 HydrophobicContact CE1-CG 4.15Å; F489-P491 HydrophobicContact CZ-CB 3.86Å; F489-P491 HydrophobicContact CZ-CG 4.31Å
490V92.6Very high88.9Confident6 Ų658.1 Ų58.14%0.03629%0.291CS..EExtended strand (participates in β ladder)trans-139.5118.4174.5-176.30000110.6I453 V454 G455 Q488 F492 F495 L503 C506 V507I453-V490 PolarHBondContact O-N 2.81Å; V454-V490 WeakPolarHBondContact CA-O 3.32Å; G455-V490 PolarHBondContact N-O 3.28Å; Q488-V490 HydrophobicContact CG-CG2 4.05Å; V490-F492 PolarHBondContact O-N 2.86Å; V490-F495 HydrophobicContact CG1-CD2 4.17Å; V490-F495 HydrophobicContact CG1-CE2 3.27Å; V490-F495 HydrophobicContact CG1-CZ 3.84Å; V490-L503 HydrophobicContact CG1-CD1 3.89Å; V490-C506 HydrophobicContact CG1-CB 4.35Å; V490-C506 HydrophobicContact CG2-CB 4.3Å; V490-V507 HydrophobicContact CB-CG2 3.72Å; V490-V507 HydrophobicContact CG1-CG2 4.08Å; V490-V507 HydrophobicContact CG2-CB 4.37Å; V490-V507 HydrophobicContact CG2-CG2 3.6Å
491P93.5Very high88.1Confident8 Ų857.8 Ų57.85%0.05229%0.29CS..EExtended strand (participates in β ladder)trans-79.5117.7173.730.8-32.5000110.7G455 F461 F489 R493 Q494G455-P491 CarbonylContact O-C 3.55Å; F461-P491 HydrophobicContact CD2-CB 4.1Å; F461-P491 HydrophobicContact CE2-CB 4.27Å; F489-P491 HydrophobicContact CE1-CB 4.18Å; F489-P491 HydrophobicContact CE1-CG 4.15Å; F489-P491 HydrophobicContact CZ-CB 3.86Å; F489-P491 HydrophobicContact CZ-CG 4.31Å; P491-R493 HydrophobicContact CB-CG 4.28Å; P491-R493 PolarHBondContact O-N 2.92Å; P491-R493 VanDerWaalsContact O-N 3.12Å; P491-Q494 HydrophobicContact CG-CG 3.93Å; P491-Q494 PolarHBondContact O-N 2.76Å; P491-Q494 VanDerWaalsContact O-N 3.11Å
492F91.9Very high87.7Confident17 Ų1756.3 Ų56.38%0.07528%0.282CS..G310 helixtrans-54.8-33.8-177.1-172.8-87.5000113E321 T324 A325 V454 G455 V456 V490 Q494 F495 Q496 L503E321-F492 HydrophobicContact CB-CD1 3.97Å; E321-F492 HydrophobicContact CB-CE1 3.94Å; E321-F492 HydrophobicContact CB-CG 4.4Å; E321-F492 HydrophobicContact CB-CZ 4.32Å; E321-F492 HydrophobicContact CG-CD1 3.78Å; E321-F492 HydrophobicContact CG-CE1 3.61Å; E321-F492 HydrophobicContact CG-CZ 4.36Å; E321-F492 WeakPolarHBondContact OE2-CD1 3.35Å; T324-F492 HydrophobicContact CG2-CE2 3.83Å; T324-F492 HydrophobicContact CG2-CZ 3.69Å; A325-F492 HydrophobicContact CB-CD2 4.37Å; V454-F492 HydrophobicContact CG1-CB 4.18Å; V454-F492 HydrophobicContact CG1-CD2 4.37Å; G455-F492 VanDerWaalsContact O-CB 3.24Å; G455-F492 WeakPolarHBondContact O-CB 3.41Å; G455-F492 PolarHBondContact O-N 3.24Å; V456-F492 HydrophobicContact CG1-CB 4.16Å; V456-F492 HydrophobicContact CG1-CG 4.42Å; V490-F492 PolarHBondContact O-N 2.86Å; F492-Q494 PolarHBondContact O-N 2.92Å; F492-F495 PolarHBondContact O-N 3.48Å; F492-Q496 HydrophobicContact CD1-CG 4.44Å; F492-Q496 HydrophobicContact CE1-CG 4.33Å; F492-L503 HydrophobicContact CD2-CD1 4.43Å; F492-L503 HydrophobicContact CD2-CD2 3.55Å; F492-L503 HydrophobicContact CE2-CD2 3.54Å
493R89.6Confident87.4Confident106 Ų10655.9 Ų55.940%0.428%0.278SS..G310 helixtrans-54-25.4178.567.9-176.6179.4-158.3-3.5114.2A459 P491 F495A459-R493 PolarHBondContact O-NH1 3.19Å; P491-R493 HydrophobicContact CB-CG 4.28Å; P491-R493 PolarHBondContact O-N 2.92Å; P491-R493 VanDerWaalsContact O-N 3.12Å; R493-F495 PolarHBondContact O-N 3.27Å
494Q87.8Confident87.1Confident133 Ų13351.8 Ų51.862%0.62126%0.257SS*.G310 helixtrans-68.9-13.9175.7-66.8179.35.200113.3P491 F492P491-Q494 HydrophobicContact CG-CG 3.93Å; P491-Q494 PolarHBondContact O-N 2.76Å; P491-Q494 VanDerWaalsContact O-N 3.11Å; F492-Q494 PolarHBondContact O-N 2.92Å
495F87.8Confident86.9Confident26 Ų2652.2 Ų52.211%0.11426%0.261CS..G310 helixtrans-117.83.3-171-57.2-88000114.3V490 F492 R493 N497 A498 A502 L503 C506V490-F495 HydrophobicContact CG1-CD2 4.17Å; V490-F495 HydrophobicContact CG1-CE2 3.27Å; V490-F495 HydrophobicContact CG1-CZ 3.84Å; F492-F495 PolarHBondContact O-N 3.48Å; R493-F495 PolarHBondContact O-N 3.27Å; F495-N497 PolarHBondContact O-N 2.8Å; F495-A498 HydrophobicContact CB-CB 4.09Å; F495-A498 HydrophobicContact CD1-CB 4.03Å; F495-A498 PolarHBondContact O-N 3.3Å; F495-A502 HydrophobicContact CD1-CB 3.81Å; F495-A502 HydrophobicContact CE1-CB 4.11Å; F495-A502 WeakPolarHBondContact CE1-O 3.28Å; F495-L503 HydrophobicContact CB-CB 4.35Å; F495-L503 HydrophobicContact CD1-CB 4.24Å; F495-L503 HydrophobicContact CD2-CD1 3.74Å; F495-L503 HydrophobicContact CE2-CD1 4.05Å; F495-L503 HydrophobicContact CG-CB 4.11Å; F495-L503 HydrophobicContact CG-CD1 4.16Å; F495-C506 HydrophobicContact CE1-CB 4.18Å; F495-C506 HydrophobicContact CZ-CB 3.7Å
496Q76.9Confident86.6Confident116 Ų11651.3 Ų51.354%0.54226%0.259SS..THydrogen-bonded Turntrans-56.1-29.5-178.7-73.3178.6-12.300113.4E321 F492E321-Q496 PolarHBondContact OE1-NE2 3.25Å; F492-Q496 HydrophobicContact CD1-CG 4.44Å; F492-Q496 HydrophobicContact CE1-CG 4.33Å
497N79.3Confident86.2Confident169 Ų16951.2 Ų51.290%0.90426%0.258SS*.THydrogen-bonded Turntrans-112.310.5176.6-62.1-51.1000113.4F495F495-N497 PolarHBondContact O-N 2.8Å
498A80.6Confident86Confident36 Ų3651.2 Ų51.230%0.29826%0.258SS..SBendtrans-91.9161.4-178.600000111.3F495 A502F495-A498 HydrophobicContact CB-CB 4.09Å; F495-A498 HydrophobicContact CD1-CB 4.03Å; F495-A498 PolarHBondContact O-N 3.3Å; A498-A502 HydrophobicContact CB-CB 3.83Å
499P78.3Confident85.6Confident88 Ų8852.6 Ų52.657%0.57127%0.273SS*.  trans-53.5147.3166.8-23.433.8000111E501 A502P499-E501 WeakPolarHBondContact CB-OE2 3.48Å; P499-E501 PolarHBondContact O-N 2.95Å; P499-A502 VanDerWaalsContact O-CB 3.25Å; P499-A502 WeakPolarHBondContact O-CB 3.42Å; P499-A502 PolarHBondContact O-N 2.91Å
500K71.8Confident85.4Confident171 Ų17154.3 Ų54.374%0.74328%0.282SS*.Hα-helixtrans-57.9-28.8-176.7-69.9-176.4177.2-178.40112.7S328 A502S328-K500 PolarHBondContact OG-O 3.42Å; K500-A502 VanDerWaalsContact C-N 3.35Å
501E76.8Confident85.4Confident62 Ų6254.1 Ų54.129%0.2928%0.28SS..Hα-helixtrans-75.4-23.9-179.2-5672.9-15700112P499 L503 A504 Q505P499-E501 WeakPolarHBondContact CB-OE2 3.48Å; P499-E501 PolarHBondContact O-N 2.95Å; E501-L503 VanDerWaalsContact C-N 3.35Å; E501-L503 PolarHBondContact O-N 2.88Å; E501-A504 PolarHBondContact O-N 2.8Å; E501-Q505 VanDerWaalsContact O-CG 3.31Å; E501-Q505 WeakPolarHBondContact O-CG 3.41Å; E501-Q505 PolarHBondContact O-N 3.25Å
502A85.7Confident85.4Confident15 Ų1554.3 Ų54.312%0.12428%0.282CS..Hα-helixtrans-65.4-36.6-174.200000112.7F495 A498 P499 K500 Q505 C506F495-A502 HydrophobicContact CD1-CB 3.81Å; F495-A502 HydrophobicContact CE1-CB 4.11Å; F495-A502 WeakPolarHBondContact CE1-O 3.28Å; A498-A502 HydrophobicContact CB-CB 3.83Å; P499-A502 VanDerWaalsContact O-CB 3.25Å; P499-A502 WeakPolarHBondContact O-CB 3.42Å; P499-A502 PolarHBondContact O-N 2.91Å; K500-A502 VanDerWaalsContact C-N 3.35Å; A502-Q505 PolarHBondContact O-N 3.24Å; A502-C506 PolarHBondContact O-N 2.94Å; A502-C506 VanDerWaalsContact O-N 3.12Å
503L87.9Confident85.4Confident4 Ų460.4 Ų60.42%0.02131%0.31CS..Hα-helixtrans-63-49.1175.417764.5000110.7A325 V490 F492 F495 E501 Q505 C506 V507A325-L503 HydrophobicContact CB-CD2 4.34Å; V490-L503 HydrophobicContact CG1-CD1 3.89Å; F492-L503 HydrophobicContact CD2-CD1 4.43Å; F492-L503 HydrophobicContact CD2-CD2 3.55Å; F492-L503 HydrophobicContact CE2-CD2 3.54Å; F495-L503 HydrophobicContact CB-CB 4.35Å; F495-L503 HydrophobicContact CD1-CB 4.24Å; F495-L503 HydrophobicContact CD2-CD1 3.74Å; F495-L503 HydrophobicContact CE2-CD1 4.05Å; F495-L503 HydrophobicContact CG-CB 4.11Å; F495-L503 HydrophobicContact CG-CD1 4.16Å; E501-L503 VanDerWaalsContact C-N 3.35Å; E501-L503 PolarHBondContact O-N 2.88Å; L503-Q505 VanDerWaalsContact C-N 3.26Å; L503-Q505 PolarHBondContact O-N 2.8Å; L503-C506 PolarHBondContact O-N 2.82Å; L503-V507 HydrophobicContact CD1-CG2 3.81Å; L503-V507 HydrophobicContact CG-CG2 4.21Å; L503-V507 VanDerWaalsContact O-CB 3.3Å; L503-V507 WeakPolarHBondContact O-CB 3.49Å; L503-V507 VanDerWaalsContact O-CG2 3.23Å; L503-V507 WeakPolarHBondContact O-CG2 3.36Å; L503-V507 PolarHBondContact O-N 2.85Å
504A87.6Confident85.6Confident3 Ų356 Ų563%0.02529%0.294CS..Hα-helixtrans-60.7-39.8178.300000111.1S328 V332 E501 C506 V507 L508S328-A504 WeakPolarHBondContact O-CB 3.22Å; V332-A504 HydrophobicContact CG2-CB 4.09Å; E501-A504 PolarHBondContact O-N 2.8Å; A504-C506 PolarHBondContact O-N 3.04Å; A504-V507 PolarHBondContact O-N 2.89Å; A504-L508 HydrophobicContact CB-CD1 4.42Å; A504-L508 VanDerWaalsContact O-CB 3.22Å; A504-L508 WeakPolarHBondContact O-CB 3.16Å; A504-L508 WeakPolarHBondContact O-CG 3.16Å; A504-L508 PolarHBondContact O-N 2.92Å
505Q86.4Confident86Confident51 Ų5149.7 Ų49.724%0.23827%0.265CS..Hα-helixtrans-57.7-46.5176.7-76.3174.3-5.600113.1A3 E70 V71 E501 A502 L503 A509A3-Q505 HydrophobicContact CB-CG 4.45Å; E70-Q505 HydrophobicContact CB-CG 4.47Å; E70-Q505 HydrophobicContact CG-CB 4.08Å; E70-Q505 HydrophobicContact CG-CG 3.68Å; V71-Q505 HydrophobicContact CG2-CG 4.25Å; E501-Q505 VanDerWaalsContact O-CG 3.31Å; E501-Q505 WeakPolarHBondContact O-CG 3.41Å; E501-Q505 PolarHBondContact O-N 3.25Å; A502-Q505 PolarHBondContact O-N 3.24Å; L503-Q505 VanDerWaalsContact C-N 3.26Å; L503-Q505 PolarHBondContact O-N 2.8Å; Q505-A509 WeakPolarHBondContact O-CB 3.19Å; Q505-A509 PolarHBondContact O-N 2.77Å
506C87.3Confident86.2Confident36 Ų3650 Ų5024%0.24327%0.268CS..Hα-helixtrans-71.7-44.7177.7-76.10000112V490 F495 A502 L503 A504 L508V490-C506 HydrophobicContact CG1-CB 4.35Å; V490-C506 HydrophobicContact CG2-CB 4.3Å; F495-C506 HydrophobicContact CE1-CB 4.18Å; F495-C506 HydrophobicContact CZ-CB 3.7Å; A502-C506 PolarHBondContact O-N 2.94Å; A502-C506 VanDerWaalsContact O-N 3.12Å; L503-C506 PolarHBondContact O-N 2.82Å; A504-C506 PolarHBondContact O-N 3.04Å; C506-L508 VanDerWaalsContact C-N 3.34Å; C506-L508 PolarHBondContact O-N 2.77Å
507V87.5Confident86.9Confident0 Ų046 Ų460%026%0.259CS..Hα-helixtrans-65.9-35-175.4165.50000113V329 I452 V454 V490 L503 A504V329-V507 HydrophobicContact CG1-CG1 4.12Å; V329-V507 HydrophobicContact CG2-CB 4.19Å; V329-V507 HydrophobicContact CG2-CG1 3.57Å; V329-V507 HydrophobicContact CG2-CG2 4.41Å; I452-V507 HydrophobicContact CB-CG1 4.33Å; I452-V507 HydrophobicContact CD1-CG1 3.86Å; I452-V507 HydrophobicContact CG1-CG1 4.23Å; I452-V507 HydrophobicContact CG2-CB 4.48Å; I452-V507 HydrophobicContact CG2-CG1 3.24Å; V454-V507 HydrophobicContact CG2-CG2 3.96Å; V490-V507 HydrophobicContact CB-CG2 3.72Å; V490-V507 HydrophobicContact CG1-CG2 4.08Å; V490-V507 HydrophobicContact CG2-CB 4.37Å; V490-V507 HydrophobicContact CG2-CG2 3.6Å; L503-V507 HydrophobicContact CD1-CG2 3.81Å; L503-V507 HydrophobicContact CG-CG2 4.21Å; L503-V507 VanDerWaalsContact O-CB 3.3Å; L503-V507 WeakPolarHBondContact O-CB 3.49Å; L503-V507 VanDerWaalsContact O-CG2 3.23Å; L503-V507 WeakPolarHBondContact O-CG2 3.36Å; L503-V507 PolarHBondContact O-N 2.85Å; A504-V507 PolarHBondContact O-N 2.89Å
508L90.7Very high87.7Confident0 Ų038.3 Ų38.30%022%0.217CC..Hα-helixtrans-101.2-1.5-172.8-66.5174.6000113.6F69 E70 V329 V332 I452 A504 C506 E510 I511 P512F69-L508 HydrophobicContact CD1-CB 4.09Å; F69-L508 WeakPolarHBondContact CD1-O 3.19Å; F69-L508 HydrophobicContact CE1-CB 3.76Å; F69-L508 HydrophobicContact CE1-CD1 4.5Å; F69-L508 HydrophobicContact CE1-CD2 4.12Å; F69-L508 HydrophobicContact CE1-CG 4.35Å; E70-L508 HydrophobicContact CB-CB 3.92Å; V329-L508 HydrophobicContact CG1-CD2 4.06Å; V329-L508 HydrophobicContact CG1-CG 4.5Å; V332-L508 HydrophobicContact CB-CD1 3.49Å; V332-L508 VanDerWaalsContact CB-CD1 3.49Å; V332-L508 HydrophobicContact CG1-CD1 3.44Å; V332-L508 VanDerWaalsContact CG1-CD1 3.44Å; V332-L508 HydrophobicContact CG2-CD1 3.99Å; I452-L508 HydrophobicContact CD1-CD2 3.8Å; A504-L508 HydrophobicContact CB-CD1 4.42Å; A504-L508 VanDerWaalsContact O-CB 3.22Å; A504-L508 WeakPolarHBondContact O-CB 3.16Å; A504-L508 WeakPolarHBondContact O-CG 3.16Å; A504-L508 PolarHBondContact O-N 2.92Å; C506-L508 VanDerWaalsContact C-N 3.34Å; C506-L508 PolarHBondContact O-N 2.77Å; L508-E510 VanDerWaalsContact C-N 3.25Å; L508-E510 PolarHBondContact O-N 2.91Å; L508-I511 HydrophobicContact CD2-CG1 4.19Å; L508-I511 PolarHBondContact O-N 2.76Å; L508-P512 WeakPolarHBondContact O-CD 3.27Å
509A84.7Confident88.4Confident49 Ų4936.8 Ų36.841%0.40520%0.204SC..THydrogen-bonded Turntrans-55.1-39.4-172.900000113.2Q505Q505-A509 WeakPolarHBondContact O-CB 3.19Å; Q505-A509 PolarHBondContact O-N 2.77Å
510E88.7Confident88.9Confident45 Ų4535 Ų3521%0.2119%0.19CC..THydrogen-bonded Turntrans-90.9-19.3-172.4-63.7-162.2170.700114.7Q488 L508 Q513 Q514Q488-E510 VanDerWaalsContact OE1-CG 3.27Å; Q488-E510 PolarHBondContact OE1-OE1 2.86Å; L508-E510 VanDerWaalsContact C-N 3.25Å; L508-E510 PolarHBondContact O-N 2.91Å; E510-Q513 PolarHBondContact O-N 2.88Å; E510-Q514 HydrophobicContact CB-CG 4.27Å; E510-Q514 WeakPolarHBondContact O-CG 3.45Å; E510-Q514 PolarHBondContact O-N 3.4Å; E510-Q514 PolarHBondContact OE2-NE2 2.96Å
511I93.2Very high89.7Confident2 Ų231.7 Ų31.71%0.0118%0.184CC..Hα-helixtrans-54.3-45.8-173.9-62.2-63.1000112.1F69 V422 S450 I452 L508 Q513 Q514 V515F69-I511 HydrophobicContact CE1-CB 3.73Å; F69-I511 HydrophobicContact CE1-CG1 4.39Å; F69-I511 HydrophobicContact CE1-CG2 3.92Å; F69-I511 HydrophobicContact CZ-CB 4.2Å; F69-I511 HydrophobicContact CZ-CG2 3.85Å; V422-I511 HydrophobicContact CG1-CD1 4.2Å; V422-I511 HydrophobicContact CG2-CD1 4.44Å; V422-I511 HydrophobicContact CG2-CG2 4.37Å; S450-I511 VanDerWaalsContact CB-CD1 3.46Å; I452-I511 HydrophobicContact CD1-CD1 4.04Å; I452-I511 HydrophobicContact CD1-CG1 4.21Å; I452-I511 HydrophobicContact CG1-CD1 4.2Å; L508-I511 HydrophobicContact CD2-CG1 4.19Å; L508-I511 PolarHBondContact O-N 2.76Å; I511-Q513 VanDerWaalsContact C-N 3.29Å; I511-Q513 PolarHBondContact O-N 3.33Å; I511-Q514 PolarHBondContact O-N 2.58Å; I511-V515 HydrophobicContact CG2-CG2 4.17Å; I511-V515 WeakPolarHBondContact O-CB 3.33Å; I511-V515 VanDerWaalsContact O-CG2 3.22Å; I511-V515 WeakPolarHBondContact O-CG2 3.4Å; I511-V515 PolarHBondContact O-N 3.14Å
512P93.4Very high90.4Very high12 Ų1233.4 Ų33.48%0.07819%0.188CC..Hα-helixtrans-57.4-40.6176.6-2737.2000113.4F69 F280 L508 V516F69-P512 HydrophobicContact CB-CG 3.77Å; F69-P512 HydrophobicContact CD1-CG 3.51Å; F69-P512 HydrophobicContact CD2-CG 4.44Å; F69-P512 HydrophobicContact CE1-CG 4.21Å; F69-P512 HydrophobicContact CG-CG 3.64Å; F280-P512 HydrophobicContact CB-CB 4.04Å; F280-P512 HydrophobicContact CD1-CB 4.23Å; F280-P512 HydrophobicContact CD1-CG 4.49Å; F280-P512 HydrophobicContact CD2-CB 3.92Å; F280-P512 HydrophobicContact CE2-CB 4.44Å; F280-P512 HydrophobicContact CG-CB 3.79Å; F280-P512 HydrophobicContact CG-CG 4.47Å; L508-P512 WeakPolarHBondContact O-CD 3.27Å; P512-V516 WeakPolarHBondContact O-CB 3Å; P512-V516 VanDerWaalsContact O-CG2 3.24Å; P512-V516 WeakPolarHBondContact O-CG2 3.27Å; P512-V516 PolarHBondContact O-N 3.35Å; P512-V516 VanDerWaalsContact O-N 3.09Å
513Q91.1Very high90.6Very high144 Ų14441.5 Ų41.567%0.67322%0.221SC*.Hα-helixtrans-71.8-41.4179.7-61.9-173.717.400111.5E510 I511 V515 V516 G517E510-Q513 PolarHBondContact O-N 2.88Å; I511-Q513 VanDerWaalsContact C-N 3.29Å; I511-Q513 PolarHBondContact O-N 3.33Å; Q513-V515 VanDerWaalsContact C-N 3.33Å; Q513-V515 PolarHBondContact O-N 2.87Å; Q513-V516 PolarHBondContact O-N 3.35Å; Q513-G517 PolarHBondContact O-N 2.71Å; Q513-G517 WeakPolarHBondContact O-CA 3.35Å
514Q94.2Very high90.9Very high15 Ų1542.9 Ų42.97%0.0723%0.228CC..Hα-helixtrans-64.9-36.8177.7-66178.83.900111.9Y420 S450 E510 I511 Y518Y420-Q514 PolarHBondContact OH-O 2.66Å; S450-Q514 PolarHBondContact OG-OE1 3.21Å; E510-Q514 HydrophobicContact CB-CG 4.27Å; E510-Q514 WeakPolarHBondContact O-CG 3.45Å; E510-Q514 PolarHBondContact O-N 3.4Å; E510-Q514 PolarHBondContact OE2-NE2 2.96Å; I511-Q514 PolarHBondContact O-N 2.58Å; Q514-Y518 WeakPolarHBondContact O-CB 3.04Å; Q514-Y518 PolarHBondContact O-N 2.72Å; Q514-Y518 VanDerWaalsContact O-N 3.1Å
515V95.6Very high91.1Very high0 Ų047 Ų470%025%0.249CC..Hα-helixtrans-64.5-54173.5170.40000111.1F280 L290 Y420 I511 Q513 G517 Y518 F519F280-V515 HydrophobicContact CD2-CB 4.13Å; F280-V515 HydrophobicContact CD2-CG1 4.05Å; F280-V515 HydrophobicContact CE2-CB 4.27Å; F280-V515 HydrophobicContact CE2-CG1 4.23Å; F280-V515 HydrophobicContact CE2-CG2 4.23Å; L290-V515 HydrophobicContact CD2-CG2 4.14Å; Y420-V515 HydrophobicContact CD1-CG2 3.65Å; Y420-V515 HydrophobicContact CD2-CB 4.46Å; Y420-V515 HydrophobicContact CD2-CG1 4.46Å; Y420-V515 HydrophobicContact CD2-CG2 4.02Å; Y420-V515 HydrophobicContact CE1-CG2 3.68Å; Y420-V515 HydrophobicContact CE2-CB 4.38Å; Y420-V515 HydrophobicContact CE2-CG2 4.04Å; Y420-V515 HydrophobicContact CG-CG2 3.82Å; I511-V515 HydrophobicContact CG2-CG2 4.17Å; I511-V515 WeakPolarHBondContact O-CB 3.33Å; I511-V515 VanDerWaalsContact O-CG2 3.22Å; I511-V515 WeakPolarHBondContact O-CG2 3.4Å; I511-V515 PolarHBondContact O-N 3.14Å; Q513-V515 VanDerWaalsContact C-N 3.33Å; Q513-V515 PolarHBondContact O-N 2.87Å; V515-G517 PolarHBondContact O-N 3.05Å; V515-Y518 PolarHBondContact O-N 3.35Å; V515-F519 PolarHBondContact O-N 3.15Å; V515-F519 VanDerWaalsContact O-N 3.1Å; V515-F519 WeakPolarHBondContact O-CD2 3.47Å; V515-F519 HydrophobicContact CG1-CE2 3.74Å; V515-F519 HydrophobicContact CG1-CD2 3.81Å
516V92.9Very high91.4Very high31 Ų3144.6 Ų44.619%0.18824%0.238CC..Hα-helixtrans-62.7-44-179.3171.30000110.7F280 Y283 P512 Q513 Y518 F519 N520F280-V516 HydrophobicContact CB-CG2 3.9Å; F280-V516 VanDerWaalsContact N-CG2 3.31Å; Y283-V516 HydrophobicContact CD2-CG2 4.28Å; Y283-V516 HydrophobicContact CE2-CG2 4.35Å; P512-V516 WeakPolarHBondContact O-CB 3Å; P512-V516 VanDerWaalsContact O-CG2 3.24Å; P512-V516 WeakPolarHBondContact O-CG2 3.27Å; P512-V516 PolarHBondContact O-N 3.35Å; P512-V516 VanDerWaalsContact O-N 3.09Å; Q513-V516 PolarHBondContact O-N 3.35Å; V516-Y518 PolarHBondContact O-N 3.12Å; V516-F519 PolarHBondContact O-N 3.27Å; V516-N520 WeakPolarHBondContact CG1-ND2 3.49Å; V516-N520 WeakPolarHBondContact O-CB 3.2Å; V516-N520 PolarHBondContact O-N 3.06Å
517G91.9Very high91.6Very high34 Ų3445.4 Ų45.435%0.35124%0.243SC..Hα-helixtrans-59.2-44.7179.100000112.3Q513 V515 T521Q513-G517 PolarHBondContact O-N 2.71Å; Q513-G517 WeakPolarHBondContact O-CA 3.35Å; V515-G517 PolarHBondContact O-N 3.05Å; G517-T521 VanDerWaalsContact O-CB 3.29Å; G517-T521 PolarHBondContact O-OG1 3.05Å; G517-T521 VanDerWaalsContact O-N 3.11Å; G517-T521 PolarHBondContact O-N 2.8Å; G517-T521 WeakPolarHBondContact O-CB 3.45Å
518Y95.3Very high91.6Very high7 Ų752.9 Ų52.93%0.02728%0.275CS..Hα-helixtrans-62.1-58.9174.9176.5-92.3000111.4Y420 L447 P448 Q514 V515 V516 N520 T521 Y522 L524Y420-Y518 HydrophobicContact CD2-CD1 4.49Å; Y420-Y518 HydrophobicContact CE2-CD1 4.3Å; Y420-Y518 HydrophobicContact CE2-CG 4.21Å; L447-Y518 WeakPolarHBondContact O-CD2 3.41Å; L447-Y518 VanDerWaalsContact O-CE2 3.32Å; L447-Y518 WeakPolarHBondContact O-CE2 3.5Å; P448-Y518 HydrophobicContact CB-CD1 3.92Å; P448-Y518 HydrophobicContact CB-CE1 3.46Å; P448-Y518 VanDerWaalsContact CB-CE1 3.46Å; P448-Y518 HydrophobicContact CB-CE2 4.38Å; P448-Y518 WeakPolarHBondContact CD-OH 3.47Å; P448-Y518 HydrophobicContact CG-CE1 4.33Å; Q514-Y518 WeakPolarHBondContact O-CB 3.04Å; Q514-Y518 PolarHBondContact O-N 2.72Å; Q514-Y518 VanDerWaalsContact O-N 3.1Å; V515-Y518 PolarHBondContact O-N 3.35Å; V516-Y518 PolarHBondContact O-N 3.12Å; Y518-N520 VanDerWaalsContact C-N 3.33Å; Y518-N520 PolarHBondContact O-N 3.11Å; Y518-T521 WeakPolarHBondContact O-CB 3.18Å; Y518-T521 PolarHBondContact O-N 2.85Å; Y518-T521 VanDerWaalsContact O-N 3.15Å; Y518-Y522 VanDerWaalsContact O-N 3.17Å; Y518-Y522 PolarHBondContact O-N 3.31Å; Y518-Y522 WeakPolarHBondContact O-CD2 3.37Å; Y518-Y522 VanDerWaalsContact O-CD2 3.3Å; Y518-Y522 AromaticContact CZ-CE2 3.96Å; Y518-Y522 AromaticContact CZ-CD2 3.74Å; Y518-Y522 HydrophobicContact CG-CD2 4.27Å; Y518-Y522 HydrophobicContact CE2-CE2 3.3Å; Y518-Y522 HydrophobicContact CE2-CD2 3.51Å; Y518-Y522 AromaticContact CE2-CE2 3.3Å; Y518-Y522 HydrophobicContact CD1-CD2 4.48Å; Y518-Y522 AromaticContact CD2-CD2 3.79Å; Y518-Y522 HydrophobicContact CD2-CD2 3.79Å; Y518-Y522 AromaticContact CD2-CE2 3.63Å; Y518-Y522 HydrophobicContact CD2-CE2 3.63Å; Y518-Y522 HydrophobicContact CE1-CD2 4.21Å; Y518-Y522 AromaticContact CE2-CD2 3.51Å; Y518-L524 HydrophobicContact CE1-CD1 4.36Å
519F95.1Very high90.5Very high3 Ų355.1 Ų55.11%0.01329%0.287CS..Hα-helixtrans-64.9-35.4-173-68.5-48.9000113.1Y283 A417 Y420 V515 V516 Y522 K523 L524Y283-F519 HydrophobicContact CD1-CB 4.45Å; Y283-F519 AromaticContact CD1-CD2 3.87Å; Y283-F519 HydrophobicContact CD1-CD2 3.87Å; Y283-F519 HydrophobicContact CD1-CE2 4.46Å; Y283-F519 HydrophobicContact CD1-CG 4.36Å; Y283-F519 HydrophobicContact CD2-CD2 4.14Å; Y283-F519 HydrophobicContact CE1-CB 3.65Å; Y283-F519 AromaticContact CE1-CD2 3.93Å; Y283-F519 HydrophobicContact CE1-CD2 3.93Å; Y283-F519 AromaticContact CE1-CG 3.98Å; Y283-F519 HydrophobicContact CE1-CG 3.98Å; Y283-F519 HydrophobicContact CE2-CB 3.91Å; Y283-F519 HydrophobicContact CE2-CD2 4.19Å; Y283-F519 AromaticContact CG-CD2 3.99Å; Y283-F519 HydrophobicContact CG-CD2 3.99Å; Y283-F519 VanDerWaalsContact OH-CB 3.23Å; Y283-F519 WeakPolarHBondContact OH-CB 3.4Å; A417-F519 HydrophobicContact CB-CB 4.2Å; A417-F519 HydrophobicContact CB-CD1 3.41Å; A417-F519 VanDerWaalsContact CB-CD1 3.41Å; A417-F519 HydrophobicContact CB-CD2 3.71Å; A417-F519 HydrophobicContact CB-CE1 3.56Å; A417-F519 HydrophobicContact CB-CE2 3.81Å; A417-F519 HydrophobicContact CB-CG 3.51Å; A417-F519 HydrophobicContact CB-CZ 3.75Å; Y420-F519 HydrophobicContact CD2-CE2 4.06Å; Y420-F519 AromaticContact CD2-CZ 3.96Å; Y420-F519 HydrophobicContact CD2-CZ 3.96Å; V515-F519 PolarHBondContact O-N 3.15Å; V515-F519 VanDerWaalsContact O-N 3.1Å; V515-F519 WeakPolarHBondContact O-CD2 3.47Å; V515-F519 HydrophobicContact CG1-CE2 3.74Å; V515-F519 HydrophobicContact CG1-CD2 3.81Å; V516-F519 PolarHBondContact O-N 3.27Å; F519-Y522 CarbonylContact O-C 3Å; F519-Y522 PolarHBondContact O-N 2.82Å; F519-K523 PolarHBondContact O-N 2.81Å; F519-L524 HydrophobicContact CB-CB 4.39Å; F519-L524 HydrophobicContact CD1-CB 4.05Å; F519-L524 HydrophobicContact CD1-CD1 3.89Å; F519-L524 HydrophobicContact CE1-CD1 4.31Å; F519-L524 PolarHBondContact O-N 2.91Å
520N89Confident89.2Confident52 Ų5255.4 Ų55.428%0.27829%0.285SS..Hα-helixtrans-66.8-40.5174.4-76.6-18.3000112.4Y283 V516 Y518 Y522 K523Y283-N520 PolarHBondContact OH-OD1 3.41Å; V516-N520 WeakPolarHBondContact CG1-ND2 3.49Å; V516-N520 WeakPolarHBondContact O-CB 3.2Å; V516-N520 PolarHBondContact O-N 3.06Å; Y518-N520 VanDerWaalsContact C-N 3.33Å; Y518-N520 PolarHBondContact O-N 3.11Å; N520-Y522 VanDerWaalsContact C-N 3.27Å; N520-Y522 PolarHBondContact O-N 3.38Å; N520-K523 PolarHBondContact O-N 2.91Å; N520-K523 VanDerWaalsContact O-N 3.08Å
521T89.4Confident87.4Confident100 Ų10055.2 Ų55.261%0.61329%0.291SS*.Hα-helixtrans-59.2-41.8177.5-63.50000111.2G517 Y518 K523G517-T521 VanDerWaalsContact O-CB 3.29Å; G517-T521 PolarHBondContact O-OG1 3.05Å; G517-T521 VanDerWaalsContact O-N 3.11Å; G517-T521 PolarHBondContact O-N 2.8Å; G517-T521 WeakPolarHBondContact O-CB 3.45Å; Y518-T521 WeakPolarHBondContact O-CB 3.18Å; Y518-T521 PolarHBondContact O-N 2.85Å; Y518-T521 VanDerWaalsContact O-N 3.15Å; T521-K523 VanDerWaalsContact C-N 3.34Å
522Y91.2Very high85.2Confident98 Ų9859.2 Ų59.238%0.38432%0.316SS..THydrogen-bonded Turntrans-905.2178.2-67.2-81.9000113.8R446 Y518 F519 N520 L524R446-Y522 PolarHBondContact O-OH 2.91Å; Y518-Y522 VanDerWaalsContact O-N 3.17Å; Y518-Y522 PolarHBondContact O-N 3.31Å; Y518-Y522 WeakPolarHBondContact O-CD2 3.37Å; Y518-Y522 VanDerWaalsContact O-CD2 3.3Å; Y518-Y522 AromaticContact CZ-CE2 3.96Å; Y518-Y522 AromaticContact CZ-CD2 3.74Å; Y518-Y522 HydrophobicContact CG-CD2 4.27Å; Y518-Y522 HydrophobicContact CE2-CE2 3.3Å; Y518-Y522 HydrophobicContact CE2-CD2 3.51Å; Y518-Y522 AromaticContact CE2-CE2 3.3Å; Y518-Y522 HydrophobicContact CD1-CD2 4.48Å; Y518-Y522 AromaticContact CD2-CD2 3.79Å; Y518-Y522 HydrophobicContact CD2-CD2 3.79Å; Y518-Y522 AromaticContact CD2-CE2 3.63Å; Y518-Y522 HydrophobicContact CD2-CE2 3.63Å; Y518-Y522 HydrophobicContact CE1-CD2 4.21Å; Y518-Y522 AromaticContact CE2-CD2 3.51Å; F519-Y522 CarbonylContact O-C 3Å; F519-Y522 PolarHBondContact O-N 2.82Å; N520-Y522 VanDerWaalsContact C-N 3.27Å; N520-Y522 PolarHBondContact O-N 3.38Å; Y522-L524 PolarHBondContact O-N 3.08Å
523K90.6Very high82.5Confident185 Ų18566.9 Ų66.980%0.80435%0.348SS*.THydrogen-bonded Turntrans53.134.5179.8-55.2-178.9-179.2-179.80113.6F519 N520 T521F519-K523 PolarHBondContact O-N 2.81Å; N520-K523 PolarHBondContact O-N 2.91Å; N520-K523 VanDerWaalsContact O-N 3.08Å; T521-K523 VanDerWaalsContact C-N 3.34Å
524L92.3Very high79.9Confident34 Ų3468 Ų6818%0.17835%0.353CS..PPolyproline II helixtrans-84.2131.4178.1-67.5176.2000110.1Y283 A417 Y518 F519 Y522Y283-L524 WeakPolarHBondContact CE1-O 3.04Å; Y283-L524 PolarHBondContact OH-O 3.33Å; A417-L524 HydrophobicContact CB-CB 4.09Å; Y518-L524 HydrophobicContact CE1-CD1 4.36Å; F519-L524 HydrophobicContact CB-CB 4.39Å; F519-L524 HydrophobicContact CD1-CB 4.05Å; F519-L524 HydrophobicContact CD1-CD1 3.89Å; F519-L524 HydrophobicContact CE1-CD1 4.31Å; F519-L524 PolarHBondContact O-N 2.91Å; Y522-L524 PolarHBondContact O-N 3.08Å
525L92.8Very high76.8Confident88 Ų8875.7 Ų75.746%0.46139%0.389SS..PPolyproline II helixtrans-95.4153.3177.7-64.7173.6000110.8T416 A417T416-L525 WeakPolarHBondContact CA-O 3.18Å; A417-L525 PolarHBondContact N-O 3.06Å
526P92.3Very high73.5Confident2 Ų284.8 Ų84.81%0.01343%0.428CS..PPolyproline II helixtrans-57.7147.4173.5-18.827.7000111.6C278 D282 Y283 K528 N529C278-P526 VanDerWaalsContact SG-CD 3.54Å; D282-P526 HydrophobicContact CB-CG 4.45Å; D282-P526 WeakPolarHBondContact O-CB 3.42Å; D282-P526 WeakPolarHBondContact O-CG 3.27Å; Y283-P526 HydrophobicContact CD1-CB 4.21Å; Y283-P526 HydrophobicContact CD1-CG 3.67Å; Y283-P526 HydrophobicContact CE1-CG 3.95Å; Y283-P526 HydrophobicContact CG-CG 4.4Å; P526-K528 PolarHBondContact O-N 3.16Å; P526-K528 VanDerWaalsContact O-N 3.15Å; P526-N529 PolarHBondContact O-N 2.9Å
527P91.1Very high70.4Confident52 Ų5295 Ų9534%0.33847%0.474SS..SBendtrans-53-38.5179.4-27.633.7000113.5G286 A417G286-P527 WeakPolarHBondContact O-CB 3.26Å; G286-P527 WeakPolarHBondContact O-CD 3.3Å; A417-P527 WeakPolarHBondContact O-CD 3.44Å
528K87.9Confident69.4Low158 Ų15898.1 Ų98.169%0.68748%0.481SS*.SBendtrans-109.981.2173.4-61172.3-174.4167.50109.1G286 P526 P530G286-K528 WeakPolarHBondContact O-CB 3.44Å; G286-K528 PolarHBondContact O-N 3.08Å; P526-K528 PolarHBondContact O-N 3.16Å; P526-K528 VanDerWaalsContact O-N 3.15Å; K528-P530 WeakPolarHBondContact O-CD 3.37Å
529N68.8Low68Low46 Ų46102.9 Ų102.925%0.24650%0.504CS..  trans-63.8121.8-179-177.50.9000111.6P526 A531 T532P526-N529 PolarHBondContact O-N 2.9Å; N529-A531 PolarHBondContact OD1-N 2.96Å; N529-A531 WeakPolarHBondContact OD1-CB 3.31Å; N529-A531 PolarHBondContact O-N 3.42Å; N529-A531 VanDerWaalsContact C-N 3.31Å; N529-T532 WeakPolarHBondContact CB-OG1 3.31Å; N529-T532 PolarHBondContact O-OG1 3.41Å
530P56.3Low66.5Low55 Ų55108.4 Ų108.436%0.35753%0.532SS..SBendtrans-66.2-29.6175.919.2-24.1000113.3K528 T532 K533K528-P530 WeakPolarHBondContact O-CD 3.37Å; P530-T532 PolarHBondContact O-N 3.42Å; P530-K533 PolarHBondContact O-N 2.91Å
531A51.3Low65.2Low41 Ų41111.8 Ų111.834%0.33955%0.547SS..G310 helixtrans-73.4-23.5-174.500000114.3N529 K533 Q534N529-A531 PolarHBondContact OD1-N 2.96Å; N529-A531 WeakPolarHBondContact OD1-CB 3.31Å; N529-A531 PolarHBondContact O-N 3.42Å; N529-A531 VanDerWaalsContact C-N 3.31Å; A531-K533 PolarHBondContact O-N 2.98Å; A531-K533 VanDerWaalsContact O-N 3.15Å; A531-Q534 PolarHBondContact O-N 3.45Å; A531-Q534 VanDerWaalsContact O-N 3.15Å
532T46.4Very low63.7Low86 Ų86112.5 Ų112.553%0.52854%0.542SS..G310 helixtrans-68.8-12.4178.9-11.80000113.3N529 P530N529-T532 WeakPolarHBondContact CB-OG1 3.31Å; N529-T532 PolarHBondContact O-OG1 3.41Å; P530-T532 PolarHBondContact O-N 3.42Å
533K37.8Very low61.8Low174 Ų174113.5 Ų113.576%0.75755%0.553SS**G310 helixtrans-83-22173.8-73.7-171.6176.6-174.80113.7P530 A531P530-K533 PolarHBondContact O-N 2.91Å; A531-K533 PolarHBondContact O-N 2.98Å; A531-K533 VanDerWaalsContact O-N 3.15Å
534Q34.7Very low59.8Low166 Ų166108.4 Ų108.478%0.77654%0.535SS*.THydrogen-bonded Turntrans-91.2-14.9-177.1-71.4-1744.700114.2A531 K536A531-Q534 PolarHBondContact O-N 3.45Å; A531-Q534 VanDerWaalsContact O-N 3.15Å; Q534-K536 VanDerWaalsContact C-N 3.32Å
535Q29Very low57.3Low178 Ų178114.1 Ų114.183%0.83256%0.562SS**THydrogen-bonded Turntrans-87.43.5174.9-70.2-174.5-5.700114
536K27.6Very low54.3Low190 Ų190116.3 Ų116.383%0.82657%0.571SS**THydrogen-bonded Turntrans-117.515.1179.6-78.9-168.8175.8-175.90114Q534Q534-K536 VanDerWaalsContact C-N 3.32Å
537Q28.3Very low50.8Low247 Ų247126.6 Ų126.6100%1.15462%0.622SS**  trans-117.90168.8-75.8-170.9-1.500110.7

Retrieved 537 of 537 residues in 352.9 ms (Link to these results)

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