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Serine racemase

Pyridoxal-5'-phosphate (PLP)-dependent enzyme that catalyzes the synthesis of D-serine from L-serine. D-serine is a key coagonist with glutamate at NMDA receptors. In addition to racemization, has dehydratase activity towards both L-serine and D-serine, a two-step reaction in which the hydroxyl group of serine is eliminated to produce aminoacrylate (2-aminoprop-2-enoate), and then the aminoacrylate (an unstable intermediate) is deaminated by nonenzymatic hydrolysis to produce pyruvate.

AlphaFold DB , UniProt , Accession Z4YMF3, Species MOUSE (Mus musculus, Mouse), Gene Srr, Length 166 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
1M49.5Very low87.6Confident243 Ų243112.9 Ų112.9100%1.19762%0.618SS**  0126.40-70.9177.2-144.800107.4A3M1-A3 PolarHBondContact O-N 3.1Å
2C65.9Low88.5Confident120 Ų120105.3 Ų105.381%0.81158%0.577SS**  trans-77.6113.1176.2-163.70000108Q4C2-Q4 PolarHBondContact O-N 3.36Å
3A80.6Confident89.3Confident106 Ų106105.2 Ų105.288%0.87657%0.57SS**  trans-81.411.6-176.500000113.4M1M1-A3 PolarHBondContact O-N 3.1Å
4Q86Confident90Very high153 Ų153107.4 Ų107.472%0.71557%0.572SS**  trans-109.1123.3-170-164.8153.26.200111C2C2-Q4 PolarHBondContact O-N 3.36Å
5Y95.4Very high90.5Very high206 Ų206100.3 Ų100.381%0.80853%0.534SS*.  trans-69.2168.8167.6-63-69.8000110.6I7Y5-I7 PolarHBondContact O-N 3.45Å; Y5-I7 VanDerWaalsContact O-N 3.15Å
6C95.2Very high91Very high89 Ų8999 Ų9960%0.60152%0.524SS*.SBendtrans-65-1517860.90000114P157C6-P157 HydrophobicContact CB-CG 4.33Å
7I97.9Very high91.5Very high37 Ų3799.9 Ų99.919%0.1953%0.527CS..  trans-142162.8171.262.6160.1000111.3Y5 D11 V12 P157 I160 A161Y5-I7 PolarHBondContact O-N 3.45Å; Y5-I7 VanDerWaalsContact O-N 3.15Å; I7-D11 HydrophobicContact CB-CB 4.39Å; I7-V12 HydrophobicContact CD1-CG2 4.48Å; I7-P157 HydrophobicContact CG2-CB 3.67Å; I7-P157 WeakPolarHBondContact CG2-O 3.29Å; I7-I160 HydrophobicContact CD1-CB 4.05Å; I7-I160 HydrophobicContact CD1-CG2 3.42Å; I7-I160 VanDerWaalsContact CD1-CG2 3.42Å; I7-I160 HydrophobicContact CG1-CG2 4.15Å; I7-A161 HydrophobicContact CD1-CB 4.39Å; I7-A161 HydrophobicContact CG2-CB 4.34Å
8S97.8Very high91.8Very high48 Ų4897.1 Ų97.134%0.33651%0.513SS..  trans-123.2173.9172.7710000111.5A10 D11S8-A10 VanDerWaalsContact C-N 3.28Å; S8-A10 PolarHBondContact O-N 3.42Å; S8-A10 PolarHBondContact OG-N 2.91Å; S8-D11 WeakPolarHBondContact CB-OD2 3.43Å; S8-D11 PolarHBondContact N-OD2 3.37Å; S8-D11 WeakPolarHBondContact O-CB 3.41Å; S8-D11 PolarHBondContact O-N 3.18Å; S8-D11 PolarHBondContact OG-OD2 3.45Å
9F98.1Very high92.2Very high146 Ų14691.9 Ų91.964%0.6449%0.486SS*.Hα-helixtrans-61.1-37173.5-179.7-109.4000112.5D11 V12 E13F9-D11 PolarHBondContact O-N 3.18Å; F9-V12 WeakPolarHBondContact O-CA 3.32Å; F9-V12 WeakPolarHBondContact O-CB 3.34Å; F9-V12 PolarHBondContact O-N 3.25Å; F9-E13 HydrophobicContact CD1-CG 4.06Å; F9-E13 HydrophobicContact CE1-CG 3.58Å; F9-E13 WeakPolarHBondContact CE1-OE1 3.44Å; F9-E13 HydrophobicContact CE2-CG 4.45Å; F9-E13 HydrophobicContact CZ-CG 3.8Å; F9-E13 PolarHBondContact O-N 2.99Å
10A98.3Very high92.5Very high41 Ų4191.8 Ų91.834%0.33948%0.482SS..Hα-helixtrans-60.7-30177.500000112.3S8 V12 E13 K14S8-A10 VanDerWaalsContact C-N 3.28Å; S8-A10 PolarHBondContact O-N 3.42Å; S8-A10 PolarHBondContact OG-N 2.91Å; A10-V12 VanDerWaalsContact C-N 3.34Å; A10-E13 PolarHBondContact O-N 3.36Å; A10-K14 VanDerWaalsContact O-CG 3.27Å; A10-K14 WeakPolarHBondContact O-CG 3.33Å; A10-K14 PolarHBondContact O-N 2.59Å
11D98.5Very high92.7Very high53 Ų5394.2 Ų94.228%0.28350%0.495SS..Hα-helixtrans-71.5-32.4175.6-55.3-54.1000111.5I7 S8 F9 A15 A161I7-D11 HydrophobicContact CB-CB 4.39Å; S8-D11 WeakPolarHBondContact CB-OD2 3.43Å; S8-D11 PolarHBondContact N-OD2 3.37Å; S8-D11 WeakPolarHBondContact O-CB 3.41Å; S8-D11 PolarHBondContact O-N 3.18Å; S8-D11 PolarHBondContact OG-OD2 3.45Å; F9-D11 PolarHBondContact O-N 3.18Å; D11-A15 VanDerWaalsContact O-CB 3.27Å; D11-A15 WeakPolarHBondContact O-CB 3.46Å; D11-A15 PolarHBondContact O-N 3.1Å; D11-A161 HydrophobicContact CB-CB 4.06Å
12V98.8Very high95Very high22 Ų2283.6 Ų83.613%0.13345%0.445CS..Hα-helixtrans-69.2-42.2173.2-179.10000110.9I7 F9 A10 A15 H16 G164 T165I7-V12 HydrophobicContact CD1-CG2 4.48Å; F9-V12 WeakPolarHBondContact O-CA 3.32Å; F9-V12 WeakPolarHBondContact O-CB 3.34Å; F9-V12 PolarHBondContact O-N 3.25Å; A10-V12 VanDerWaalsContact C-N 3.34Å; V12-A15 WeakPolarHBondContact O-CB 3.46Å; V12-A15 PolarHBondContact O-N 2.9Å; V12-H16 PolarHBondContact O-N 2.93Å; V12-G164 WeakPolarHBondContact CG1-O 3.11Å; V12-T165 HydrophobicContact CG1-CG2 4.1Å
13E98.7Very high96.6Very high104 Ų10478.8 Ų78.849%0.48641%0.411SS..Hα-helixtrans-61.4-45.8175.5-68.2-178.1118.200111.5F9 A10 A15 H16 I17F9-E13 HydrophobicContact CD1-CG 4.06Å; F9-E13 HydrophobicContact CE1-CG 3.58Å; F9-E13 WeakPolarHBondContact CE1-OE1 3.44Å; F9-E13 HydrophobicContact CE2-CG 4.45Å; F9-E13 HydrophobicContact CZ-CG 3.8Å; F9-E13 PolarHBondContact O-N 2.99Å; A10-E13 PolarHBondContact O-N 3.36Å; E13-A15 VanDerWaalsContact C-N 3.32Å; E13-A15 PolarHBondContact O-N 3.33Å; E13-H16 WeakPolarHBondContact O-CB 3.3Å; E13-H16 PolarHBondContact O-N 2.88Å; E13-I17 PolarHBondContact O-N 3.33Å; E13-I17 VanDerWaalsContact O-N 3.14Å
14K98.6Very high97.4Very high135 Ų13577.9 Ų77.959%0.58739%0.389SS*.Hα-helixtrans-59.7-43.9173-72.2171-172.5172.60111.5A10 H16 I17 N18A10-K14 VanDerWaalsContact O-CG 3.27Å; A10-K14 WeakPolarHBondContact O-CG 3.33Å; A10-K14 PolarHBondContact O-N 2.59Å; K14-H16 VanDerWaalsContact C-N 3.27Å; K14-H16 PolarHBondContact O-N 3.33Å; K14-I17 PolarHBondContact O-N 3.49Å; K14-N18 WeakPolarHBondContact O-CB 3.22Å; K14-N18 PolarHBondContact O-N 2.94Å
15A98.7Very high98Very high1 Ų178 Ų781%0.00839%0.394CS..Hα-helixtrans-61.2-38.1177.500000111.8D11 V12 E13 N18 I19 N62 A161 T165D11-A15 VanDerWaalsContact O-CB 3.27Å; D11-A15 WeakPolarHBondContact O-CB 3.46Å; D11-A15 PolarHBondContact O-N 3.1Å; V12-A15 WeakPolarHBondContact O-CB 3.46Å; V12-A15 PolarHBondContact O-N 2.9Å; E13-A15 VanDerWaalsContact C-N 3.32Å; E13-A15 PolarHBondContact O-N 3.33Å; A15-N18 PolarHBondContact O-N 3.18Å; A15-I19 VanDerWaalsContact O-CG1 3.24Å; A15-I19 WeakPolarHBondContact O-CG1 3.34Å; A15-I19 PolarHBondContact O-N 3.22Å; A15-N62 WeakPolarHBondContact CA-OD1 3.46Å; A15-N62 HydrophobicContact CB-CB 4.38Å; A15-N62 WeakPolarHBondContact CB-ND2 3.42Å; A15-A161 HydrophobicContact CB-CB 4.2Å; A15-T165 HydrophobicContact CB-CG2 4.03Å
16H98.6Very high98.2Very high80 Ų8068.6 Ų68.637%0.3736%0.357SS..Hα-helixtrans-61.2-50.2176-170.268.6000111.5V12 E13 K14 N18 I19 Q20 T165V12-H16 PolarHBondContact O-N 2.93Å; E13-H16 WeakPolarHBondContact O-CB 3.3Å; E13-H16 PolarHBondContact O-N 2.88Å; K14-H16 VanDerWaalsContact C-N 3.27Å; K14-H16 PolarHBondContact O-N 3.33Å; H16-N18 PolarHBondContact O-N 3.3Å; H16-I19 PolarHBondContact O-N 3.42Å; H16-Q20 VanDerWaalsContact O-CB 3.26Å; H16-Q20 WeakPolarHBondContact O-CB 3.23Å; H16-Q20 WeakPolarHBondContact O-CG 3.45Å; H16-Q20 PolarHBondContact O-N 3.38Å; H16-T165 HydrophobicContact CB-CG2 4.01Å
17I98.4Very high98.4Very high114 Ų11467.1 Ų67.159%0.58535%0.347SS*.Hα-helixtrans-56.8-43176.1-64.1166.1000110.5E13 K14 I19E13-I17 PolarHBondContact O-N 3.33Å; E13-I17 VanDerWaalsContact O-N 3.14Å; K14-I17 PolarHBondContact O-N 3.49Å; I17-I19 VanDerWaalsContact C-N 3.28Å; I17-I19 PolarHBondContact O-N 2.88Å
18N98.1Very high98.4Very high49 Ų4969.1 Ų69.126%0.26236%0.361SS..Hα-helixtrans-66.4-24.8-176.8-167.726.7000113.8K14 A15 H16 N62 R65K14-N18 WeakPolarHBondContact O-CB 3.22Å; K14-N18 PolarHBondContact O-N 2.94Å; A15-N18 PolarHBondContact O-N 3.18Å; H16-N18 PolarHBondContact O-N 3.3Å; N18-N62 PolarHBondContact ND2-O 2.81Å; N18-N62 PolarHBondContact ND2-OD1 3.44Å; N18-R65 WeakPolarHBondContact ND2-CB 3.32Å; N18-R65 WeakPolarHBondContact O-CD 3.24Å; N18-R65 PolarHBondContact O-NH1 3.12Å; N18-R65 WeakPolarHBondContact OD1-CB 3.33Å; N18-R65 WeakPolarHBondContact OD1-CD 3.36Å
19I98.4Very high98.5Very high0 Ų070.9 Ų70.90%037%0.366CS..Hα-helixtrans-121.1-17.2-171.673-173000115.1A15 H16 I17 D21 S22 I23 R58 L61 N62 T165A15-I19 VanDerWaalsContact O-CG1 3.24Å; A15-I19 WeakPolarHBondContact O-CG1 3.34Å; A15-I19 PolarHBondContact O-N 3.22Å; H16-I19 PolarHBondContact O-N 3.42Å; I17-I19 VanDerWaalsContact C-N 3.28Å; I17-I19 PolarHBondContact O-N 2.88Å; I19-D21 VanDerWaalsContact C-N 3.27Å; I19-D21 PolarHBondContact O-N 3.42Å; I19-D21 VanDerWaalsContact O-N 3.13Å; I19-S22 PolarHBondContact O-N 2.95Å; I19-I23 HydrophobicContact CB-CG2 4.23Å; I19-I23 HydrophobicContact CD1-CD1 3.8Å; I19-I23 HydrophobicContact CG1-CD1 3.76Å; I19-I23 HydrophobicContact CG1-CG1 4.19Å; I19-I23 HydrophobicContact CG1-CG2 4.39Å; I19-I23 PolarHBondContact O-N 2.95Å; I19-R58 HydrophobicContact CD1-CB 3.78Å; I19-R58 HydrophobicContact CD1-CG 4.25Å; I19-L61 HydrophobicContact CB-CD2 4.22Å; I19-L61 HydrophobicContact CG2-CB 4.18Å; I19-L61 HydrophobicContact CG2-CD2 4.28Å; I19-L61 HydrophobicContact CG2-CG 4.15Å; I19-N62 HydrophobicContact CG2-CB 3.83Å; I19-T165 HydrophobicContact CD1-CG2 4.1Å
20Q98.1Very high98.5Very high88 Ų8868.2 Ų68.241%0.41136%0.361SS..G310 helixtrans-53.2-38.7-168.560-175.9-25.700114H16 S22H16-Q20 VanDerWaalsContact O-CB 3.26Å; H16-Q20 WeakPolarHBondContact O-CB 3.23Å; H16-Q20 WeakPolarHBondContact O-CG 3.45Å; H16-Q20 PolarHBondContact O-N 3.38Å; Q20-S22 PolarHBondContact O-N 3.37Å
21D97.8Very high98.5Very high143 Ų14368.1 Ų68.177%0.76536%0.359SS*.G310 helixtrans-74.2-6.2-178.5-59.9-43000113.5I19I19-D21 VanDerWaalsContact C-N 3.27Å; I19-D21 PolarHBondContact O-N 3.42Å; I19-D21 VanDerWaalsContact O-N 3.13Å
22S97.9Very high98.5Very high21 Ų2170.3 Ų70.315%0.14738%0.378CS..G310 helixtrans-127-0.2-171.4-64.50000113.5I19 Q20 K51 L61 R65I19-S22 PolarHBondContact O-N 2.95Å; Q20-S22 PolarHBondContact O-N 3.37Å; S22-K51 VanDerWaalsContact O-CD 3.3Å; S22-K51 WeakPolarHBondContact O-CD 3.38Å; S22-K51 WeakPolarHBondContact O-CE 3.2Å; S22-K51 PolarHBondContact O-NZ 3.47Å; S22-L61 VanDerWaalsContact CB-CD2 3.47Å; S22-R65 PolarHBondContact OG-NH1 3.21Å; S22-R65 PolarHBondContact OG-NH2 2.67Å
23I98.4Very high98.5Very high19 Ų1974.5 Ų74.510%0.09740%0.398CS..SBendtrans-120.6166.1175.565.8162.9000111.2I19 I57 R58 L61I19-I23 HydrophobicContact CB-CG2 4.23Å; I19-I23 HydrophobicContact CD1-CD1 3.8Å; I19-I23 HydrophobicContact CG1-CD1 3.76Å; I19-I23 HydrophobicContact CG1-CG1 4.19Å; I19-I23 HydrophobicContact CG1-CG2 4.39Å; I19-I23 PolarHBondContact O-N 2.95Å; I23-I57 HydrophobicContact CG2-CG2 4.36Å; I23-R58 HydrophobicContact CD1-CG 4.07Å; I23-L61 HydrophobicContact CG2-CD2 4.31Å
24H98.6Very high98.5Very high87 Ų8773 Ų7340%0.40339%0.394SS..  trans-83.8135.4170.9-56.5161.4000110.6T26 F49 Q50H24-T26 VanDerWaalsContact C-N 3.32Å; H24-T26 HydrophobicContact CB-CG2 4.16Å; H24-T26 PolarHBondContact O-N 2.96Å; H24-T26 VanDerWaalsContact O-N 3.09Å; H24-F49 PolarHBondContact ND1-O 2.85Å; H24-Q50 PolarHBondContact O-NE2 2.85Å
25L98.5Very high98.5Very high156 Ų15668.1 Ų68.182%0.81737%0.373SS*.  trans-75.989.8158.7-178.361.1000108.2
26T98.8Very high98.5Very high7 Ų775.8 Ų75.84%0.04341%0.409CS..  trans-67.3146.1-172.856.50000112.2H24 K45 E47 Q50H24-T26 VanDerWaalsContact C-N 3.32Å; H24-T26 HydrophobicContact CB-CG2 4.16Å; H24-T26 PolarHBondContact O-N 2.96Å; H24-T26 VanDerWaalsContact O-N 3.09Å; T26-K45 PolarHBondContact O-NZ 3.17Å; T26-K45 WeakPolarHBondContact OG1-CE 3.3Å; T26-K45 PolarHBondContact OG1-NZ 2.92Å; T26-K45 VanDerWaalsContact OG1-NZ 3.15Å; T26-E47 WeakPolarHBondContact CB-OE1 3.33Å; T26-E47 VanDerWaalsContact CG2-OE1 3.22Å; T26-E47 WeakPolarHBondContact CG2-OE1 3.41Å; T26-E47 PolarHBondContact OG1-OE1 2.89Å; T26-Q50 HydrophobicContact CG2-CB 4.12Å
27P98.7Very high98.5Very high59 Ų5978.2 Ų78.238%0.38342%0.423SS..  trans-70.2162.3-177.830-35.8000112.2L29 C46 F49P27-L29 HydrophobicContact CB-CD2 4.27Å; P27-C46 HydrophobicContact CG-CB 4.22Å; P27-C46 PolarHBondContact O-N 3.4Å; P27-F49 HydrophobicContact CG-CD2 3.86Å; P27-F49 HydrophobicContact CG-CE2 4.22Å
28V98.8Very high98.5Very high79 Ų7975 Ų7548%0.47942%0.415SS..EExtended strand (participates in β ladder)trans-108.3113.6164.8179.60000107.6F43 F44 K45V28-F43 HydrophobicContact CG1-CB 3.67Å; V28-F43 HydrophobicContact CG1-CD1 3.85Å; V28-F43 HydrophobicContact CG1-CG 4.24Å; V28-F44 WeakPolarHBondContact CA-O 3.39Å; V28-K45 HydrophobicContact CG2-CD 4.02Å
29L98.8Very high98.6Very high85 Ų8576 Ų7645%0.44544%0.435SS..EExtended strand (participates in β ladder)trans-101.4161.9178.9-59.9-175.9000111P27 F44 F49P27-L29 HydrophobicContact CB-CD2 4.27Å; L29-F44 PolarHBondContact N-O 2.95Å; L29-F44 WeakPolarHBondContact O-CD2 3.41Å; L29-F44 PolarHBondContact O-N 3.33Å; L29-F49 HydrophobicContact CD1-CE2 4.21Å
30T98.8Very high98.6Very high89 Ų8985 Ų8555%0.54647%0.47SS..  trans-136.3161.3178.260.80000110L42 F43T30-L42 WeakPolarHBondContact CG2-O 3.17Å; T30-F43 HydrophobicContact CG2-CD1 3.89Å; T30-F43 HydrophobicContact CG2-CE1 4.12Å
31S98.8Very high98.6Very high40 Ų4086.9 Ų86.928%0.2848%0.482SS..  trans-142.2123.5173.7170.20000110.7I33 L34 N35S31-I33 PolarHBondContact O-N 3.24Å; S31-L34 PolarHBondContact O-N 2.88Å; S31-L34 PolarHBondContact OG-N 3.32Å; S31-N35 VanDerWaalsContact O-CG 3.22Å; S31-N35 PolarHBondContact O-N 3.3Å; S31-N35 PolarHBondContact O-OD1 3.11Å
32S98.6Very high98.6Very high98 Ų9882.6 Ų82.669%0.68546%0.459SS*.Hα-helixtrans-62-42.4-179.151.30000112.3N35 Q36S32-N35 PolarHBondContact O-N 3.26Å; S32-Q36 PolarHBondContact O-N 3.49Å
33I98.8Very high98.7Very high111 Ų11188.8 Ų88.857%0.56948%0.484SS*.Hα-helixtrans-62.5-45176.6-68.5176.5000110.6S31 N35 Q36 I37S31-I33 PolarHBondContact O-N 3.24Å; I33-N35 VanDerWaalsContact C-N 3.34Å; I33-N35 PolarHBondContact O-N 3.38Å; I33-Q36 PolarHBondContact O-N 2.96Å; I33-I37 HydrophobicContact CG2-CD1 3.78Å; I33-I37 HydrophobicContact CG2-CG1 4.49Å; I33-I37 WeakPolarHBondContact O-CG1 3.5Å; I33-I37 PolarHBondContact O-N 2.99Å
34L98.8Very high98.7Very high73 Ų7391.8 Ų91.838%0.38250%0.496SS..Hα-helixtrans-68.4-34.7179.6-63.4179.6000112S31 I37 A38 L42 F44S31-L34 PolarHBondContact O-N 2.88Å; S31-L34 PolarHBondContact OG-N 3.32Å; L34-I37 HydrophobicContact CD2-CD1 4.46Å; L34-I37 PolarHBondContact O-N 2.87Å; L34-A38 VanDerWaalsContact O-CB 3.3Å; L34-A38 WeakPolarHBondContact O-CB 3.26Å; L34-A38 PolarHBondContact O-N 3.37Å; L34-L42 HydrophobicContact CB-CD1 4.06Å; L34-F44 HydrophobicContact CB-CZ 4.49Å; L34-F44 HydrophobicContact CD1-CE1 4.48Å; L34-F44 HydrophobicContact CD1-CE2 3.99Å; L34-F44 HydrophobicContact CD1-CZ 3.6Å
35N98.8Very high98.7Very high31 Ų3190.9 Ų90.917%0.16649%0.491CS..Hα-helixtrans-62.9-42.8173.9-71.72000111.7S31 S32 I33 A38 G39 R40 L42S31-N35 VanDerWaalsContact O-CG 3.22Å; S31-N35 PolarHBondContact O-N 3.3Å; S31-N35 PolarHBondContact O-OD1 3.11Å; S32-N35 PolarHBondContact O-N 3.26Å; I33-N35 VanDerWaalsContact C-N 3.34Å; I33-N35 PolarHBondContact O-N 3.38Å; N35-A38 PolarHBondContact O-N 3.48Å; N35-G39 WeakPolarHBondContact O-CA 3.33Å; N35-G39 PolarHBondContact O-N 3.19Å; N35-R40 WeakPolarHBondContact CA-O 3.36Å; N35-R40 WeakPolarHBondContact CB-O 3.34Å; N35-R40 VanDerWaalsContact CG-O 3.32Å; N35-R40 PolarHBondContact O-N 3.49Å; N35-R40 VanDerWaalsContact O-N 3.17Å; N35-R40 PolarHBondContact OD1-O 2.64Å; N35-L42 WeakPolarHBondContact OD1-CB 3.36Å; N35-L42 PolarHBondContact OD1-N 2.92Å
36Q98.7Very high98.7Very high162 Ų16284 Ų8476%0.75746%0.456SS*.Hα-helixtrans-63.2-47.3176.4-177.6-178.5-9.700111.5S32 I33 A38 G39S32-Q36 PolarHBondContact O-N 3.49Å; I33-Q36 PolarHBondContact O-N 2.96Å; Q36-A38 VanDerWaalsContact C-N 3.3Å; Q36-A38 PolarHBondContact O-N 3.37Å; Q36-G39 PolarHBondContact O-N 2.99Å
37I98.8Very high98.7Very high131 Ų13184.5 Ų84.567%0.67246%0.458SS*.Hα-helixtrans-60.2-41.8178.2-68.3167.2000111I33 L34I33-I37 HydrophobicContact CG2-CD1 3.78Å; I33-I37 HydrophobicContact CG2-CG1 4.49Å; I33-I37 WeakPolarHBondContact O-CG1 3.5Å; I33-I37 PolarHBondContact O-N 2.99Å; L34-I37 HydrophobicContact CD2-CD1 4.46Å; L34-I37 PolarHBondContact O-N 2.87Å
38A98.6Very high98.7Very high48 Ų4887.2 Ų87.240%0.39747%0.468SS..Hα-helixtrans-82.6-13.7-178.300000114.3L34 N35 Q36 R40 L42L34-A38 VanDerWaalsContact O-CB 3.3Å; L34-A38 WeakPolarHBondContact O-CB 3.26Å; L34-A38 PolarHBondContact O-N 3.37Å; N35-A38 PolarHBondContact O-N 3.48Å; Q36-A38 VanDerWaalsContact C-N 3.3Å; Q36-A38 PolarHBondContact O-N 3.37Å; A38-R40 PolarHBondContact O-N 2.93Å; A38-L42 HydrophobicContact CB-CD1 3.88Å; A38-L42 HydrophobicContact CB-CD2 4.21Å; A38-L42 HydrophobicContact CB-CG 4.2Å
39G98.5Very high98.6Very high68 Ų6888.6 Ų88.670%0.70147%0.468SS*.THydrogen-bonded Turntrans61.326.2-170.900000113.7N35 Q36N35-G39 WeakPolarHBondContact O-CA 3.33Å; N35-G39 PolarHBondContact O-N 3.19Å; Q36-G39 PolarHBondContact O-N 2.99Å
40R98.7Very high98.6Very high190 Ų19084.8 Ų84.872%0.71745%0.448SS*.SBendtrans-148.9161.2-174.8-65.7-171.6-178.4150.62.4111.7N35 A38 L42N35-R40 WeakPolarHBondContact CA-O 3.36Å; N35-R40 WeakPolarHBondContact CB-O 3.34Å; N35-R40 VanDerWaalsContact CG-O 3.32Å; N35-R40 PolarHBondContact O-N 3.49Å; N35-R40 VanDerWaalsContact O-N 3.17Å; N35-R40 PolarHBondContact OD1-O 2.64Å; A38-R40 PolarHBondContact O-N 2.93Å; R40-L42 HydrophobicContact CB-CD2 4.45Å; R40-L42 PolarHBondContact O-N 2.97Å
41N98.7Very high98.5Very high127 Ų12783.1 Ų83.168%0.67943%0.434SS*.  trans-82.1110.3169.2-64.5-35.3000109.9F43N41-F43 HydrophobicContact CB-CE2 4.05Å; N41-F43 HydrophobicContact CB-CZ 4.47Å
42L98.8Very high98.3Very high54 Ų5481.9 Ų81.928%0.28342%0.424SS..  trans-94.9136.1178.4-56.1-179.4000110.8T30 L34 N35 A38 R40 F44T30-L42 WeakPolarHBondContact CG2-O 3.17Å; L34-L42 HydrophobicContact CB-CD1 4.06Å; N35-L42 WeakPolarHBondContact OD1-CB 3.36Å; N35-L42 PolarHBondContact OD1-N 2.92Å; A38-L42 HydrophobicContact CB-CD1 3.88Å; A38-L42 HydrophobicContact CB-CD2 4.21Å; A38-L42 HydrophobicContact CB-CG 4.2Å; R40-L42 HydrophobicContact CB-CD2 4.45Å; R40-L42 PolarHBondContact O-N 2.97Å; L42-F44 HydrophobicContact CB-CE2 3.77Å; L42-F44 HydrophobicContact CB-CZ 3.94Å; L42-F44 HydrophobicContact CD1-CE2 4.41Å; L42-F44 HydrophobicContact CD1-CZ 3.89Å
43F98.8Very high98.1Very high150 Ų15079.4 Ų79.466%0.65841%0.414SS*.  trans-121.3116176.3-64.7-84.4000108.9V28 T30 N41V28-F43 HydrophobicContact CG1-CB 3.67Å; V28-F43 HydrophobicContact CG1-CD1 3.85Å; V28-F43 HydrophobicContact CG1-CG 4.24Å; T30-F43 HydrophobicContact CG2-CD1 3.89Å; T30-F43 HydrophobicContact CG2-CE1 4.12Å; N41-F43 HydrophobicContact CB-CE2 4.05Å; N41-F43 HydrophobicContact CB-CZ 4.47Å
44F98.8Very high98Very high83 Ų8374.4 Ų74.436%0.36439%0.389SS..EExtended strand (participates in β ladder)trans-98.3103.9-177.9-61-86.4000109.4V28 L29 L34 L42 C46V28-F44 WeakPolarHBondContact CA-O 3.39Å; L29-F44 PolarHBondContact N-O 2.95Å; L29-F44 WeakPolarHBondContact O-CD2 3.41Å; L29-F44 PolarHBondContact O-N 3.33Å; L34-F44 HydrophobicContact CB-CZ 4.49Å; L34-F44 HydrophobicContact CD1-CE1 4.48Å; L34-F44 HydrophobicContact CD1-CE2 3.99Å; L34-F44 HydrophobicContact CD1-CZ 3.6Å; L42-F44 HydrophobicContact CB-CE2 3.77Å; L42-F44 HydrophobicContact CB-CZ 3.94Å; L42-F44 HydrophobicContact CD1-CE2 4.41Å; L42-F44 HydrophobicContact CD1-CZ 3.89Å; F44-C46 PolarHBondContact O-N 2.75Å; F44-C46 PolarHBondContact O-SG 3.13Å
45K98.8Very high98Very high68 Ų6874.6 Ų74.630%0.29639%0.387SS..EExtended strand (participates in β ladder)trans-74.3103.5170.5-177.756.1171.2-177.30109.5T26 V28 E47 I166T26-K45 PolarHBondContact O-NZ 3.17Å; T26-K45 WeakPolarHBondContact OG1-CE 3.3Å; T26-K45 PolarHBondContact OG1-NZ 2.92Å; T26-K45 VanDerWaalsContact OG1-NZ 3.15Å; V28-K45 HydrophobicContact CG2-CD 4.02Å; K45-E47 VanDerWaalsContact C-N 3.35Å; K45-E47 PolarHBondContact O-N 3.17Å; K45-I166 WeakPolarHBondContact CE-O 3.19Å; K45-I166 HydrophobicContact CG-CG2 3.57Å
46C98.6Very high97.9Very high12 Ų1274.8 Ų74.88%0.08139%0.386CS..  trans-84.366.2-163.7-68.30000114P27 F44 L48 F49P27-C46 HydrophobicContact CG-CB 4.22Å; P27-C46 PolarHBondContact O-N 3.4Å; F44-C46 PolarHBondContact O-N 2.75Å; F44-C46 PolarHBondContact O-SG 3.13Å; C46-L48 PolarHBondContact O-N 3.3Å; C46-L48 VanDerWaalsContact O-N 3.11Å; C46-F49 HydrophobicContact CB-CD2 3.55Å; C46-F49 HydrophobicContact CB-CE2 3.8Å; C46-F49 HydrophobicContact CB-CG 4.48Å; C46-F49 PolarHBondContact O-N 3.2Å
47E98.7Very high97.9Very high17 Ų1767.1 Ų67.18%0.07935%0.35CS..G310 helixtrans-67.3-7.3177-73.7-63116.400114.7T26 K45 F49 Q50 S54 F55 R58 I166T26-E47 WeakPolarHBondContact CB-OE1 3.33Å; T26-E47 VanDerWaalsContact CG2-OE1 3.22Å; T26-E47 WeakPolarHBondContact CG2-OE1 3.41Å; T26-E47 PolarHBondContact OG1-OE1 2.89Å; K45-E47 VanDerWaalsContact C-N 3.35Å; K45-E47 PolarHBondContact O-N 3.17Å; E47-F49 PolarHBondContact O-N 2.69Å; E47-Q50 WeakPolarHBondContact O-CB 3.49Å; E47-Q50 PolarHBondContact O-N 3.31Å; E47-Q50 VanDerWaalsContact O-N 3.15Å; E47-S54 CarbonylContact O-C 3.59Å; E47-S54 WeakPolarHBondContact O-CA 3.42Å; E47-F55 HydrophobicContact CB-CB 3.8Å; E47-F55 HydrophobicContact CG-CB 3.76Å; E47-F55 VanDerWaalsContact OE2-CA 3.23Å; E47-F55 WeakPolarHBondContact OE2-CA 3.39Å; E47-F55 WeakPolarHBondContact OE2-CB 3.3Å; E47-R58 VanDerWaalsContact CD-NE 3.32Å; E47-R58 IonicContact OE1-CZ 2.95Å; E47-R58 IonicContact OE1-NE 3.5Å; E47-R58 PolarHBondContact OE1-NE 2.84Å; E47-R58 IonicContact OE1-NH2 2.75Å; E47-R58 PolarHBondContact OE1-NH2 3.41Å; E47-R58 IonicContact OE2-CZ 2.94Å; E47-R58 IonicContact OE2-NE 3.58Å; E47-R58 PolarHBondContact OE2-NE 3.21Å; E47-R58 IonicContact OE2-NH2 3.76Å; E47-I166 HydrophobicContact CG-CD1 4.39Å; E47-I166 HydrophobicContact CG-CG1 4.19Å; E47-I166 HydrophobicContact CG-CG2 4.25Å
48L97.6Very high97.9Very high115 Ų11561 Ų6160%0.60232%0.319SS*.G310 helixtrans-64.9-22.9167.77293.1000112.7C46 Q50C46-L48 PolarHBondContact O-N 3.3Å; C46-L48 VanDerWaalsContact O-N 3.11Å; L48-Q50 VanDerWaalsContact C-N 3.3Å
49F98.3Very high97.9Very high108 Ų10858.8 Ų58.847%0.47430%0.3SS..G310 helixtrans-870.5174.2-60.8-41.9000113.6H24 P27 L29 C46 E47H24-F49 PolarHBondContact ND1-O 2.85Å; P27-F49 HydrophobicContact CG-CD2 3.86Å; P27-F49 HydrophobicContact CG-CE2 4.22Å; L29-F49 HydrophobicContact CD1-CE2 4.21Å; C46-F49 HydrophobicContact CB-CD2 3.55Å; C46-F49 HydrophobicContact CB-CE2 3.8Å; C46-F49 HydrophobicContact CB-CG 4.48Å; C46-F49 PolarHBondContact O-N 3.2Å; E47-F49 PolarHBondContact O-N 2.69Å
50Q98.4Very high97.9Very high6 Ų655.5 Ų55.53%0.02827%0.267CS..SBendtrans-69.5157.7176.6-17354.4-94.100110.6H24 T26 E47 L48 T52 G53 S54 I57H24-Q50 PolarHBondContact O-NE2 2.85Å; T26-Q50 HydrophobicContact CG2-CB 4.12Å; E47-Q50 WeakPolarHBondContact O-CB 3.49Å; E47-Q50 PolarHBondContact O-N 3.31Å; E47-Q50 VanDerWaalsContact O-N 3.15Å; L48-Q50 VanDerWaalsContact C-N 3.3Å; Q50-T52 PolarHBondContact O-N 3.24Å; Q50-G53 WeakPolarHBondContact O-CA 3.32Å; Q50-G53 PolarHBondContact O-N 3.29Å; Q50-S54 WeakPolarHBondContact CB-O 3.17Å; Q50-S54 WeakPolarHBondContact CG-O 3.36Å; Q50-I57 HydrophobicContact CG-CG2 3.27Å
51K96.9Very high97.9Very high54 Ų5446.5 Ų46.524%0.23523%0.232CC..G310 helixtrans-50.6142.5170-64.1-172.2-179.2-179.70110.5S22 G53 I57 Y93S22-K51 VanDerWaalsContact O-CD 3.3Å; S22-K51 WeakPolarHBondContact O-CD 3.38Å; S22-K51 WeakPolarHBondContact O-CE 3.2Å; S22-K51 PolarHBondContact O-NZ 3.47Å; K51-G53 PolarHBondContact O-N 2.95Å; K51-I57 HydrophobicContact CB-CG1 4.43Å; K51-I57 HydrophobicContact CB-CG2 4.34Å; K51-Y93 HydrophobicContact CB-CE1 4.27Å; K51-Y93 HydrophobicContact CD-CE1 3.79Å
52T94.5Very high97.9Very high14 Ų1441.1 Ų41.19%0.08620%0.204CC..G310 helixtrans62.111-171.876.10000115.4Q50 S54 Y93 Y121Q50-T52 PolarHBondContact O-N 3.24Å; T52-S54 PolarHBondContact O-N 2.75Å; T52-Y93 HydrophobicContact CG2-CD1 3.88Å; T52-Y93 HydrophobicContact CG2-CG 3.73Å; T52-Y121 HydrophobicContact CG2-CE2 4.25Å
53G94.2Very high97.9Very high45 Ų4538.8 Ų38.846%0.46419%0.192SC..G310 helixtrans77.114.6172.500000115.3Q50 K51Q50-G53 WeakPolarHBondContact O-CA 3.32Å; Q50-G53 PolarHBondContact O-N 3.29Å; K51-G53 PolarHBondContact O-N 2.95Å
54S96.4Very high97.8Very high6 Ų631.6 Ų31.64%0.04216%0.161CC..SBendtrans-162.8168.4176.176.70000113.2E47 Q50 T52 K56 N86E47-S54 CarbonylContact O-C 3.59Å; E47-S54 WeakPolarHBondContact O-CA 3.42Å; Q50-S54 WeakPolarHBondContact CB-O 3.17Å; Q50-S54 WeakPolarHBondContact CG-O 3.36Å; T52-S54 PolarHBondContact O-N 2.75Å; S54-K56 PolarHBondContact O-N 2.96Å; S54-K56 VanDerWaalsContact O-N 3.09Å; S54-K56 PolarHBondContact OG-N 3.46Å; S54-N86 VanDerWaalsContact CB-ND2 3.29Å; S54-N86 WeakPolarHBondContact CB-ND2 3.25Å; S54-N86 WeakPolarHBondContact OG-CB 3.48Å
55F98.3Very high97.7Very high77 Ų7730.6 Ų30.634%0.33815%0.154SC..THydrogen-bonded Turntrans-60.9-18.4176.572.5-88.4000115.2E47 I57 R58 Q163 I166E47-F55 HydrophobicContact CB-CB 3.8Å; E47-F55 HydrophobicContact CG-CB 3.76Å; E47-F55 VanDerWaalsContact OE2-CA 3.23Å; E47-F55 WeakPolarHBondContact OE2-CA 3.39Å; E47-F55 WeakPolarHBondContact OE2-CB 3.3Å; F55-I57 PolarHBondContact O-N 3.5Å; F55-R58 WeakPolarHBondContact O-CB 3.37Å; F55-R58 WeakPolarHBondContact O-CG 3.33Å; F55-R58 PolarHBondContact O-N 3.46Å; F55-Q163 HydrophobicContact CD2-CB 4.32Å; F55-Q163 HydrophobicContact CD2-CG 4.15Å; F55-Q163 HydrophobicContact CE2-CB 4.4Å; F55-Q163 HydrophobicContact CE2-CG 4.01Å; F55-Q163 PolarHBondContact O-OE1 3.37Å; F55-I166 HydrophobicContact CB-CD1 3.72Å; F55-I166 HydrophobicContact CB-CG1 4.26Å; F55-I166 HydrophobicContact CD2-CD1 4Å; F55-I166 HydrophobicContact CG-CD1 3.97Å
56K97.8Very high97.5Very high35 Ų3530.2 Ų30.215%0.15217%0.17CC..Hα-helixtrans-59-25.6-170.3-73.3-71.4-168.1160.20113.7S54 R58 A60 N86 H87 A90 P153S54-K56 PolarHBondContact O-N 2.96Å; S54-K56 VanDerWaalsContact O-N 3.09Å; S54-K56 PolarHBondContact OG-N 3.46Å; K56-R58 PolarHBondContact O-N 3.37Å; K56-A60 WeakPolarHBondContact O-CB 3.39Å; K56-A60 PolarHBondContact O-N 2.99Å; K56-N86 HydrophobicContact CB-CB 4.28Å; K56-N86 HydrophobicContact CG-CB 3.73Å; K56-H87 HydrophobicContact CD-CB 4.12Å; K56-H87 HydrophobicContact CG-CB 4.45Å; K56-A90 HydrophobicContact CB-CB 3.7Å; K56-P153 PolarHBondContact NZ-O 2.69Å
57I98.3Very high97.3Very high1 Ų132.2 Ų32.21%0.00518%0.18CC..Hα-helixtrans-60.6-28.5176.5-170.954.8000112.9I23 Q50 K51 F55 A60 L61 A90 Y93 A94I23-I57 HydrophobicContact CG2-CG2 4.36Å; Q50-I57 HydrophobicContact CG-CG2 3.27Å; K51-I57 HydrophobicContact CB-CG1 4.43Å; K51-I57 HydrophobicContact CB-CG2 4.34Å; F55-I57 PolarHBondContact O-N 3.5Å; I57-A60 PolarHBondContact O-N 3.03Å; I57-L61 HydrophobicContact CD1-CB 4.28Å; I57-L61 WeakPolarHBondContact O-CB 3.34Å; I57-L61 PolarHBondContact O-N 2.97Å; I57-A90 HydrophobicContact CB-CB 4.26Å; I57-A90 HydrophobicContact CD1-CB 4.42Å; I57-A90 WeakPolarHBondContact CD1-O 3.14Å; I57-Y93 HydrophobicContact CD1-CD1 3.7Å; I57-Y93 HydrophobicContact CD1-CE1 4.49Å; I57-Y93 HydrophobicContact CG1-CD1 4.28Å; I57-A94 HydrophobicContact CD1-CB 3.99Å
58R98.8Very high96.9Very high4 Ų433.4 Ų33.42%0.01519%0.186CC..Hα-helixtrans-62.8-55.4-178.4-59.6168.1171.2-87.4-0.5110.8I19 I23 E47 F55 K56 N62 G162 T165I19-R58 HydrophobicContact CD1-CB 3.78Å; I19-R58 HydrophobicContact CD1-CG 4.25Å; I23-R58 HydrophobicContact CD1-CG 4.07Å; E47-R58 VanDerWaalsContact CD-NE 3.32Å; E47-R58 IonicContact OE1-CZ 2.95Å; E47-R58 IonicContact OE1-NE 3.5Å; E47-R58 PolarHBondContact OE1-NE 2.84Å; E47-R58 IonicContact OE1-NH2 2.75Å; E47-R58 PolarHBondContact OE1-NH2 3.41Å; E47-R58 IonicContact OE2-CZ 2.94Å; E47-R58 IonicContact OE2-NE 3.58Å; E47-R58 PolarHBondContact OE2-NE 3.21Å; E47-R58 IonicContact OE2-NH2 3.76Å; F55-R58 WeakPolarHBondContact O-CB 3.37Å; F55-R58 WeakPolarHBondContact O-CG 3.33Å; F55-R58 PolarHBondContact O-N 3.46Å; K56-R58 PolarHBondContact O-N 3.37Å; R58-N62 VanDerWaalsContact O-CB 3.31Å; R58-N62 WeakPolarHBondContact O-CB 3.41Å; R58-N62 PolarHBondContact O-N 3.48Å; R58-G162 VanDerWaalsContact CB-O 3.22Å; R58-G162 WeakPolarHBondContact CB-O 3.4Å; R58-T165 WeakPolarHBondContact CD-OG1 3.43Å; R58-T165 PolarHBondContact NH1-O 3.08Å; R58-T165 PolarHBondContact NH1-OG1 3.24Å
59G98.5Very high96.2Very high0 Ų030 Ų300%017%0.171CC..Hα-helixtrans-68.7-37.5175.800000113.9N62 A63 V159G59-N62 PolarHBondContact O-N 3.2Å; G59-A63 VanDerWaalsContact O-CB 3.28Å; G59-A63 WeakPolarHBondContact O-CB 3.36Å; G59-A63 PolarHBondContact O-N 3.32Å; G59-V159 WeakPolarHBondContact CA-O 3.49Å
60A98.2Very high95.4Very high0 Ų033 Ų330%019%0.192CC..Hα-helixtrans-63.7-46.3178.100000111.8K56 I57 A63 I64 A90 L91 A94K56-A60 WeakPolarHBondContact O-CB 3.39Å; K56-A60 PolarHBondContact O-N 2.99Å; I57-A60 PolarHBondContact O-N 3.03Å; A60-A63 PolarHBondContact O-N 2.89Å; A60-I64 WeakPolarHBondContact O-CB 3.48Å; A60-I64 VanDerWaalsContact O-CG1 3.25Å; A60-I64 WeakPolarHBondContact O-CG1 3.45Å; A60-I64 PolarHBondContact O-N 3.41Å; A60-A90 HydrophobicContact CB-CB 3.81Å; A60-L91 HydrophobicContact CB-CB 4.45Å; A60-L91 HydrophobicContact CB-CD1 4.36Å; A60-A94 HydrophobicContact CB-CB 4.36Å
61L98.5Very high94.4Very high0 Ų035.7 Ų35.70%021%0.209CC..Hα-helixtrans-68.1-41.1178.2-172.761.7000111.9I19 S22 I23 I57 A63 I64 R65 A94 L97I19-L61 HydrophobicContact CB-CD2 4.22Å; I19-L61 HydrophobicContact CG2-CB 4.18Å; I19-L61 HydrophobicContact CG2-CD2 4.28Å; I19-L61 HydrophobicContact CG2-CG 4.15Å; S22-L61 VanDerWaalsContact CB-CD2 3.47Å; I23-L61 HydrophobicContact CG2-CD2 4.31Å; I57-L61 HydrophobicContact CD1-CB 4.28Å; I57-L61 WeakPolarHBondContact O-CB 3.34Å; I57-L61 PolarHBondContact O-N 2.97Å; L61-A63 VanDerWaalsContact C-N 3.34Å; L61-A63 PolarHBondContact O-N 2.86Å; L61-I64 PolarHBondContact O-N 3.46Å; L61-R65 HydrophobicContact CD1-CG 4.32Å; L61-R65 WeakPolarHBondContact O-CB 3.38Å; L61-R65 PolarHBondContact O-N 3.01Å; L61-A94 HydrophobicContact CB-CB 4.22Å; L61-A94 HydrophobicContact CD1-CB 3.99Å; L61-L97 HydrophobicContact CD1-CD1 4.41Å
62N98.7Very high93.3Very high15 Ų1538.1 Ų38.18%0.0823%0.23CC..Hα-helixtrans-59.8-45.4175.8-174.151.5000111.7A15 N18 I19 R58 G59 G66 A158A15-N62 WeakPolarHBondContact CA-OD1 3.46Å; A15-N62 HydrophobicContact CB-CB 4.38Å; A15-N62 WeakPolarHBondContact CB-ND2 3.42Å; N18-N62 PolarHBondContact ND2-O 2.81Å; N18-N62 PolarHBondContact ND2-OD1 3.44Å; I19-N62 HydrophobicContact CG2-CB 3.83Å; R58-N62 VanDerWaalsContact O-CB 3.31Å; R58-N62 WeakPolarHBondContact O-CB 3.41Å; R58-N62 PolarHBondContact O-N 3.48Å; G59-N62 PolarHBondContact O-N 3.2Å; N62-G66 PolarHBondContact O-N 2.96Å; N62-A158 PolarHBondContact ND2-O 3.43Å
63A98.3Very high92.3Very high4 Ų446.5 Ų46.53%0.03327%0.268CS..Hα-helixtrans-63.9-46.9177.600000111.8G59 A60 L61 R65 G66 L67 V151 A158 V159G59-A63 VanDerWaalsContact O-CB 3.28Å; G59-A63 WeakPolarHBondContact O-CB 3.36Å; G59-A63 PolarHBondContact O-N 3.32Å; A60-A63 PolarHBondContact O-N 2.89Å; L61-A63 VanDerWaalsContact C-N 3.34Å; L61-A63 PolarHBondContact O-N 2.86Å; A63-R65 PolarHBondContact O-N 3.45Å; A63-G66 PolarHBondContact O-N 2.93Å; A63-L67 WeakPolarHBondContact O-CG 3.47Å; A63-L67 PolarHBondContact O-N 3.33Å; A63-V151 HydrophobicContact CB-CG1 3.71Å; A63-A158 HydrophobicContact CB-CB 4.01Å; A63-V159 HydrophobicContact CB-CG2 3.72Å
64I97.4Very high91.6Very high0 Ų050.6 Ų50.60%028%0.275CS..Hα-helixtrans-59.3-48178.7-71-68.1000111.4A60 L61 G66 L67 I68 V79 L91 A94 A95 E98 I100A60-I64 WeakPolarHBondContact O-CB 3.48Å; A60-I64 VanDerWaalsContact O-CG1 3.25Å; A60-I64 WeakPolarHBondContact O-CG1 3.45Å; A60-I64 PolarHBondContact O-N 3.41Å; L61-I64 PolarHBondContact O-N 3.46Å; I64-G66 VanDerWaalsContact C-N 3.3Å; I64-G66 PolarHBondContact O-N 3.49Å; I64-L67 WeakPolarHBondContact O-CB 3.1Å; I64-L67 PolarHBondContact O-N 3.24Å; I64-L67 VanDerWaalsContact O-N 3.08Å; I64-I68 HydrophobicContact CG2-CD1 4.4Å; I64-V79 HydrophobicContact CD1-CB 4.04Å; I64-V79 HydrophobicContact CD1-CG1 3.38Å; I64-V79 HydrophobicContact CD1-CG2 3.88Å; I64-L91 HydrophobicContact CD1-CD1 3.78Å; I64-L91 HydrophobicContact CG1-CD1 3.82Å; I64-A94 HydrophobicContact CB-CB 4.36Å; I64-A94 HydrophobicContact CG1-CB 3.94Å; I64-A95 HydrophobicContact CD1-CB 4.31Å; I64-E98 HydrophobicContact CG2-CB 4.02Å; I64-E98 HydrophobicContact CG2-CG 3.7Å; I64-I100 HydrophobicContact CG2-CD1 4.02Å
65R96.9Very high91.2Very high61 Ų6154.2 Ų54.223%0.2329%0.29CS..Hα-helixtrans-65.5-33.7179-74.6-176.3173.1172.4-1112.7N18 S22 L61 A63 L67 I68 E98N18-R65 WeakPolarHBondContact ND2-CB 3.32Å; N18-R65 WeakPolarHBondContact O-CD 3.24Å; N18-R65 PolarHBondContact O-NH1 3.12Å; N18-R65 WeakPolarHBondContact OD1-CB 3.33Å; N18-R65 WeakPolarHBondContact OD1-CD 3.36Å; S22-R65 PolarHBondContact OG-NH1 3.21Å; S22-R65 PolarHBondContact OG-NH2 2.67Å; L61-R65 HydrophobicContact CD1-CG 4.32Å; L61-R65 WeakPolarHBondContact O-CB 3.38Å; L61-R65 PolarHBondContact O-N 3.01Å; A63-R65 PolarHBondContact O-N 3.45Å; R65-L67 PolarHBondContact O-N 2.85Å; R65-I68 PolarHBondContact O-N 3.06Å; R65-E98 IonicContact CZ-OE1 3.6Å; R65-E98 IonicContact NE-OE1 3.45Å; R65-E98 PolarHBondContact NE-OE1 3.35Å; R65-E98 IonicContact NH2-OE1 3.33Å; R65-E98 PolarHBondContact NH2-OE1 3.09Å
66G95.3Very high91Very high61 Ų6151.2 Ų51.263%0.62928%0.279SS*.Hα-helixtrans-67.2-16.3173.500000114.5N62 A63 I64N62-G66 PolarHBondContact O-N 2.96Å; A63-G66 PolarHBondContact O-N 2.93Å; I64-G66 VanDerWaalsContact C-N 3.3Å; I64-G66 PolarHBondContact O-N 3.49Å
67L93.3Very high90.8Very high53 Ų5355.7 Ų55.728%0.27730%0.298SS..THydrogen-bonded Turntrans-90.8-7.1174.3-64.7174000113.2A63 I64 R65 P69 P76 V79 I149 V151A63-L67 WeakPolarHBondContact O-CG 3.47Å; A63-L67 PolarHBondContact O-N 3.33Å; I64-L67 WeakPolarHBondContact O-CB 3.1Å; I64-L67 PolarHBondContact O-N 3.24Å; I64-L67 VanDerWaalsContact O-N 3.08Å; R65-L67 PolarHBondContact O-N 2.85Å; L67-P69 WeakPolarHBondContact O-CD 3.3Å; L67-P76 HydrophobicContact CB-CG 3.69Å; L67-P76 HydrophobicContact CD1-CG 4.38Å; L67-P76 WeakPolarHBondContact O-CD 3.37Å; L67-V79 HydrophobicContact CD1-CG1 4.28Å; L67-I149 HydrophobicContact CD1-CB 4.28Å; L67-I149 HydrophobicContact CD1-CD1 4.36Å; L67-I149 HydrophobicContact CD1-CG2 3.95Å; L67-I149 HydrophobicContact CD2-CD1 4.02Å; L67-I149 HydrophobicContact CD2-CG2 4.07Å; L67-V151 HydrophobicContact CD1-CG2 4.01Å
68I90.4Very high90.8Very high43 Ų4355.8 Ų55.822%0.22130%0.299CS..  trans-96111.7-178.1-61.7167.9000108I64 R65 K75 E98 I100I64-I68 HydrophobicContact CG2-CD1 4.4Å; R65-I68 PolarHBondContact O-N 3.06Å; I68-K75 HydrophobicContact CG2-CG 4.13Å; I68-E98 HydrophobicContact CD1-CB 3.61Å; I68-E98 HydrophobicContact CD1-CG 3.7Å; I68-I100 HydrophobicContact CD1-CD1 4.19Å; I68-I100 HydrophobicContact CG1-CD1 4.16Å
69P82.9Confident90.7Very high42 Ų4255.6 Ų55.627%0.27330%0.298SS..  trans-76.4172.9175.131.1-32.1000111.2L67 T71 E74L67-P69 WeakPolarHBondContact O-CD 3.3Å; P69-T71 PolarHBondContact O-N 3.42Å; P69-E74 HydrophobicContact CB-CB 4.33Å; P69-E74 HydrophobicContact CG-CB 3.26Å; P69-E74 HydrophobicContact CG-CG 4.41Å
70D80.7Confident90.6Very high172 Ų17255.6 Ų55.692%0.9230%0.298SS*.SBendtrans-65.1-19-178.8-63.5-37.9000113.1
71T78.8Confident90.5Very high62 Ų6255.6 Ų55.638%0.3830%0.298SS..SBendtrans-102.9124.617849.40000111.2P69 E73 E74P69-T71 PolarHBondContact O-N 3.42Å; T71-E73 PolarHBondContact O-N 3.21Å; T71-E73 VanDerWaalsContact O-N 3.1Å; T71-E74 PolarHBondContact O-N 3.12Å; T71-E74 VanDerWaalsContact OG1-CD 3.29Å; T71-E74 PolarHBondContact OG1-OE1 3.09Å
72P72.3Confident90.2Very high105 Ų10556.4 Ų56.468%0.68230%0.302SS*.G310 helixtrans-59.8-24.9-177.2-2734.7000115.5E74 K75P72-E74 PolarHBondContact O-N 3.4Å; P72-K75 PolarHBondContact O-N 3.43Å
73E73.4Confident89.5Confident190 Ų19056.9 Ų56.989%0.88831%0.306SS*.G310 helixtrans-70.8-17.6-176.3-67.7164.6-172.400113.1T71T71-E73 PolarHBondContact O-N 3.21Å; T71-E73 VanDerWaalsContact O-N 3.1Å
74E81.1Confident88.1Confident132 Ų13258.2 Ų58.262%0.61732%0.315SS*.G310 helixtrans-10311.6-177.8-68174.9-163.300112.8P69 T71 P72P69-E74 HydrophobicContact CB-CB 4.33Å; P69-E74 HydrophobicContact CG-CB 3.26Å; P69-E74 HydrophobicContact CG-CG 4.41Å; T71-E74 PolarHBondContact O-N 3.12Å; T71-E74 VanDerWaalsContact OG1-CD 3.29Å; T71-E74 PolarHBondContact OG1-OE1 3.09Å; P72-E74 PolarHBondContact O-N 3.4Å
75K88.1Confident87.4Confident82 Ų8258.6 Ų58.636%0.35732%0.319SS..SBendtrans-57.6144.1173.5-82-172.1173-168.50111.2I68 P72 K77 E98I68-K75 HydrophobicContact CG2-CG 4.13Å; P72-K75 PolarHBondContact O-N 3.43Å; K75-K77 PolarHBondContact O-N 2.93Å; K75-E98 PolarHBondContact NZ-O 2.89Å
76P92.4Very high87.2Confident14 Ų1459 Ų599%0.09133%0.326CS..  trans-55.3132.3174.7-24.433000111.6L67 A78 I100 I149L67-P76 HydrophobicContact CB-CG 3.69Å; L67-P76 HydrophobicContact CD1-CG 4.38Å; L67-P76 WeakPolarHBondContact O-CD 3.37Å; P76-A78 PolarHBondContact O-N 3.19Å; P76-I100 HydrophobicContact CB-CG2 4.43Å; P76-I100 HydrophobicContact CG-CD1 4.4Å; P76-I149 HydrophobicContact CB-CD1 3.96Å; P76-I149 HydrophobicContact CB-CG1 4.42Å; P76-I149 HydrophobicContact CG-CD1 3.96Å
77K94.9Very high87.2Confident129 Ų12956.2 Ų56.256%0.56130%0.296SS*.SBendtrans-61.2-34.2176.2-68.8-176.6-179.6178.70112.1K75 P101 E147K75-K77 PolarHBondContact O-N 2.93Å; K77-P101 WeakPolarHBondContact O-CD 3.38Å; K77-P101 WeakPolarHBondContact O-CG 3.42Å; K77-E147 HydrophobicContact CD-CB 3.95Å; K77-E147 VanDerWaalsContact CD-OE2 3.3Å; K77-E147 WeakPolarHBondContact CD-OE2 3.27Å; K77-E147 IonicContact NZ-OE1 3.1Å; K77-E147 PolarHBondContact NZ-OE1 3.02Å; K77-E147 VanDerWaalsContact NZ-OE1 3.1Å; K77-E147 IonicContact NZ-OE2 2.59Å; K77-E147 PolarHBondContact NZ-OE2 3.46Å
78A97Very high87.2Confident2 Ų253.7 Ų53.72%0.01728%0.283CS..  trans-158.7162.1173.800000110.7P76 P101 Y103 G148 I149P76-A78 PolarHBondContact O-N 3.19Å; A78-P101 CarbonylContact C-O 3.58Å; A78-P101 WeakPolarHBondContact CA-O 3.39Å; A78-P101 HydrophobicContact CB-CB 4.3Å; A78-Y103 HydrophobicContact CB-CD2 3.88Å; A78-Y103 HydrophobicContact CB-CE2 3.7Å; A78-G148 CarbonylContact O-C 3.56Å; A78-G148 VanDerWaalsContact O-CA 3.24Å; A78-G148 WeakPolarHBondContact O-CA 3.24Å; A78-I149 PolarHBondContact O-N 3.41Å
79V97.4Very high87.4Confident0 Ų052.8 Ų52.80%028%0.278CS..EExtended strand (participates in β ladder)trans-115.5143.4163.3-65.50000110.8I64 L67 L91 A95 I100 P101 A102 Y103 I149 V151I64-V79 HydrophobicContact CD1-CB 4.04Å; I64-V79 HydrophobicContact CD1-CG1 3.38Å; I64-V79 HydrophobicContact CD1-CG2 3.88Å; L67-V79 HydrophobicContact CD1-CG1 4.28Å; V79-L91 HydrophobicContact CG2-CD2 4.27Å; V79-L91 HydrophobicContact CG2-CG 4.22Å; V79-A95 HydrophobicContact CG2-CB 3.74Å; V79-I100 HydrophobicContact CG1-CG2 3.98Å; V79-I100 HydrophobicContact CG2-CG2 4.34Å; V79-P101 PolarHBondContact N-O 2.89Å; V79-A102 HydrophobicContact CG2-CB 3.95Å; V79-A102 WeakPolarHBondContact O-CA 3.28Å; V79-Y103 PolarHBondContact O-N 3.44Å; V79-I149 WeakPolarHBondContact CA-O 3.27Å; V79-V151 HydrophobicContact CB-CG2 4.43Å; V79-V151 HydrophobicContact CG1-CG2 4.33Å
80V97.6Very high88Confident0 Ų050.8 Ų50.80%027%0.265CS..EExtended strand (participates in β ladder)trans-125.1142.8-177.9-169.40000108.8Y103 T139 I142 M143 I149 L150 V151V80-Y103 WeakPolarHBondContact CA-O 3.39Å; V80-T139 HydrophobicContact CG1-CG2 3.98Å; V80-I142 HydrophobicContact CG1-CB 4.31Å; V80-I142 HydrophobicContact CG1-CG2 3.97Å; V80-I142 HydrophobicContact CG2-CG2 4.03Å; V80-M143 HydrophobicContact CB-CG 3.98Å; V80-M143 HydrophobicContact CG1-CG 4.2Å; V80-M143 HydrophobicContact CG2-CG 3.95Å; V80-I149 PolarHBondContact N-O 3.11Å; V80-L150 CarbonylContact O-C 3.58Å; V80-L150 WeakPolarHBondContact O-CA 3.39Å; V80-L150 WeakPolarHBondContact O-CD1 3.47Å; V80-V151 PolarHBondContact O-N 3.15Å
81T96Very high88.8Confident0 Ų042.6 Ų42.60%022%0.221CC..EExtended strand (participates in β ladder)trans-150.3161.4166-1620000110.8H87 L91 Y103 I104 V105 V151T81-H87 PolarHBondContact OG1-CD2 2.88Å; T81-L91 HydrophobicContact CG2-CD2 3.43Å; T81-L91 VanDerWaalsContact CG2-CD2 3.43Å; T81-Y103 PolarHBondContact N-O 2.77Å; T81-Y103 VanDerWaalsContact N-O 3.09Å; T81-I104 HydrophobicContact CG2-CD1 3.67Å; T81-I104 HydrophobicContact CG2-CG2 4.23Å; T81-V105 PolarHBondContact O-N 3.18Å; T81-V151 WeakPolarHBondContact CB-O 3.36Å; T81-V151 PolarHBondContact OG1-O 2.97Å
82H90.6Very high89.7Confident18 Ų1839.8 Ų39.88%0.08320%0.204CC..EExtended strand (participates in β ladder)trans-107.989.9168.15277.1000110.9V105 R135 H152H82-V105 WeakPolarHBondContact CA-O 3.47Å; H82-V105 HydrophobicContact CB-CB 4.11Å; H82-R135 HydrophobicContact CB-CG 3.41Å; H82-R135 VanDerWaalsContact CB-CG 3.41Å; H82-R135 PolarHBondContact ND1-NE 3.34Å; H82-H152 AromaticContact CE1-CD2 3.74Å; H82-H152 AromaticContact CE1-NE2 3.35Å; H82-H152 PolarHBondContact CE1-NE2 2.83Å; H82-H152 VanDerWaalsContact CE1-NE2 3.35Å; H82-H152 AromaticContact NE2-CD2 3.53Å; H82-H152 AromaticContact NE2-NE2 3.56Å
83S83.9Confident90.8Very high25 Ų2537.3 Ų37.318%0.17518%0.181CC..  trans-154.3115.9174.2-1700000112G85 G88 I104 V105S83-G85 PolarHBondContact O-N 3.2Å; S83-G88 WeakPolarHBondContact O-CA 3.41Å; S83-I104 WeakPolarHBondContact O-CG2 3.34Å; S83-V105 PolarHBondContact N-O 3.14Å
84S69.3Low92Very high32 Ų3228.2 Ų28.222%0.22414%0.139CC..SBendtrans-81.410174.7660000114.2V106 A110 K114S84-V106 VanDerWaalsContact CB-CG1 3.47Å; S84-A110 VanDerWaalsContact CB-CB 3.46Å; S84-K114 WeakPolarHBondContact O-CB 3.34Å; S84-K114 VanDerWaalsContact O-CD 3.29Å; S84-K114 WeakPolarHBondContact O-CD 3.39Å
85G83.4Confident92.7Very high8 Ų822 Ų228%0.08211%0.11CC..SBendtrans-132.1-142.7-171.300000113.9S83 H87 G88 Q89S83-G85 PolarHBondContact O-N 3.2Å; G85-H87 VanDerWaalsContact C-N 3.26Å; G85-H87 PolarHBondContact O-N 3.02Å; G85-G88 PolarHBondContact O-N 3.46Å; G85-G88 VanDerWaalsContact O-N 3.09Å; G85-Q89 PolarHBondContact O-N 3.22Å
86N92Very high93.1Very high69 Ų6924.4 Ų24.437%0.36912%0.12SC..Hα-helixtrans-57.3-35.7-172.8-70.65.7000113.5S54 K56 A90S54-N86 VanDerWaalsContact CB-ND2 3.29Å; S54-N86 WeakPolarHBondContact CB-ND2 3.25Å; S54-N86 WeakPolarHBondContact OG-CB 3.48Å; K56-N86 HydrophobicContact CB-CB 4.28Å; K56-N86 HydrophobicContact CG-CB 3.73Å; N86-A90 WeakPolarHBondContact O-CB 3.49Å; N86-A90 PolarHBondContact O-N 2.89Å
87H95Very high93.2Very high2 Ų227.4 Ų27.41%0.00914%0.136CC..Hα-helixtrans-69.7-39.9177.5-172.377.2000112.3K56 T81 G85 Q89 A90 L91 V151 P153K56-H87 HydrophobicContact CD-CB 4.12Å; K56-H87 HydrophobicContact CG-CB 4.45Å; T81-H87 PolarHBondContact OG1-CD2 2.88Å; G85-H87 VanDerWaalsContact C-N 3.26Å; G85-H87 PolarHBondContact O-N 3.02Å; H87-Q89 VanDerWaalsContact C-N 3.33Å; H87-Q89 PolarHBondContact O-N 3.3Å; H87-A90 PolarHBondContact O-N 2.75Å; H87-L91 VanDerWaalsContact O-CB 3.3Å; H87-L91 WeakPolarHBondContact O-CB 3.39Å; H87-L91 PolarHBondContact O-N 2.89Å; H87-V151 PolarHBondContact NE2-O 3.38Å; H87-P153 HydrophobicContact CB-CB 3.95Å
88G94.1Very high93.2Very high0 Ų023.1 Ų23.10%012%0.117CC..Hα-helixtrans-60.5-43.2175.800000112.1S83 G85 T92S83-G88 WeakPolarHBondContact O-CA 3.41Å; G85-G88 PolarHBondContact O-N 3.46Å; G85-G88 VanDerWaalsContact O-N 3.09Å; G88-T92 WeakPolarHBondContact O-CB 3.31Å; G88-T92 PolarHBondContact O-N 2.98Å; G88-T92 PolarHBondContact O-OG1 2.89Å
89Q94.1Very high93.1Very high25 Ų2526.1 Ų26.112%0.11715%0.149CC..Hα-helixtrans-63.8-48.5174.9-66178.647.100111.9G85 H87 T92 Y93 A117 I118 Y121G85-Q89 PolarHBondContact O-N 3.22Å; H87-Q89 VanDerWaalsContact C-N 3.33Å; H87-Q89 PolarHBondContact O-N 3.3Å; Q89-T92 PolarHBondContact O-N 3.09Å; Q89-Y93 WeakPolarHBondContact O-CB 3.22Å; Q89-Y93 PolarHBondContact O-N 3.45Å; Q89-A117 VanDerWaalsContact CD-CB 3.46Å; Q89-A117 HydrophobicContact CG-CB 3.94Å; Q89-I118 HydrophobicContact CG-CG1 3.87Å; Q89-Y121 HydrophobicContact CB-CD2 4.27Å; Q89-Y121 HydrophobicContact CB-CE2 4.18Å
90A96.6Very high93Very high0 Ų026.7 Ų26.70%015%0.152CC..Hα-helixtrans-59.5-46.4178.500000112.7K56 I57 A60 N86 H87 Y93 A94K56-A90 HydrophobicContact CB-CB 3.7Å; I57-A90 HydrophobicContact CB-CB 4.26Å; I57-A90 HydrophobicContact CD1-CB 4.42Å; I57-A90 WeakPolarHBondContact CD1-O 3.14Å; A60-A90 HydrophobicContact CB-CB 3.81Å; N86-A90 WeakPolarHBondContact O-CB 3.49Å; N86-A90 PolarHBondContact O-N 2.89Å; H87-A90 PolarHBondContact O-N 2.75Å; A90-Y93 PolarHBondContact O-N 2.66Å; A90-A94 VanDerWaalsContact O-CB 3.32Å; A90-A94 WeakPolarHBondContact O-CB 3.43Å; A90-A94 PolarHBondContact O-N 3.15Å
91L97.4Very high92.9Very high0 Ų029.7 Ų29.70%017%0.171CC..Hα-helixtrans-67-42.1179.4-169.970.9000111.5A60 I64 V79 T81 H87 Y93 A94 A95 I104 V151A60-L91 HydrophobicContact CB-CB 4.45Å; A60-L91 HydrophobicContact CB-CD1 4.36Å; I64-L91 HydrophobicContact CD1-CD1 3.78Å; I64-L91 HydrophobicContact CG1-CD1 3.82Å; V79-L91 HydrophobicContact CG2-CD2 4.27Å; V79-L91 HydrophobicContact CG2-CG 4.22Å; T81-L91 HydrophobicContact CG2-CD2 3.43Å; T81-L91 VanDerWaalsContact CG2-CD2 3.43Å; H87-L91 VanDerWaalsContact O-CB 3.3Å; H87-L91 WeakPolarHBondContact O-CB 3.39Å; H87-L91 PolarHBondContact O-N 2.89Å; L91-Y93 VanDerWaalsContact C-N 3.34Å; L91-Y93 PolarHBondContact O-N 2.76Å; L91-A94 PolarHBondContact O-N 3.37Å; L91-A95 WeakPolarHBondContact O-CB 3.21Å; L91-A95 PolarHBondContact O-N 2.99Å; L91-I104 HydrophobicContact CD2-CD1 4.35Å; L91-V151 HydrophobicContact CD1-CB 3.78Å; L91-V151 HydrophobicContact CD1-CG1 3.76Å; L91-V151 HydrophobicContact CD1-CG2 4.02Å; L91-V151 HydrophobicContact CD2-CB 4.08Å
92T96.5Very high93Very high3 Ų330.1 Ų30.12%0.01818%0.175CC..Hα-helixtrans-60.4-46.4175.9-540000110.8G88 Q89 K96 Y121 A123G88-T92 WeakPolarHBondContact O-CB 3.31Å; G88-T92 PolarHBondContact O-N 2.98Å; G88-T92 PolarHBondContact O-OG1 2.89Å; Q89-T92 PolarHBondContact O-N 3.09Å; T92-K96 WeakPolarHBondContact O-CB 3.14Å; T92-K96 PolarHBondContact O-N 2.77Å; T92-Y121 VanDerWaalsContact CG2-CB 3.42Å; T92-A123 HydrophobicContact CG2-CB 3.32Å; T92-A123 VanDerWaalsContact OG1-CB 3.23Å; T92-A123 WeakPolarHBondContact OG1-CB 3.26Å
93Y96.4Very high93.3Very high52 Ų5232.3 Ų32.320%0.20418%0.183CC..Hα-helixtrans-64.9-44178.6-177.9-103.5000112K51 T52 I57 Q89 A90 L91 K96 L97 Y121K51-Y93 HydrophobicContact CB-CE1 4.27Å; K51-Y93 HydrophobicContact CD-CE1 3.79Å; T52-Y93 HydrophobicContact CG2-CD1 3.88Å; T52-Y93 HydrophobicContact CG2-CG 3.73Å; I57-Y93 HydrophobicContact CD1-CD1 3.7Å; I57-Y93 HydrophobicContact CD1-CE1 4.49Å; I57-Y93 HydrophobicContact CG1-CD1 4.28Å; Q89-Y93 WeakPolarHBondContact O-CB 3.22Å; Q89-Y93 PolarHBondContact O-N 3.45Å; A90-Y93 PolarHBondContact O-N 2.66Å; L91-Y93 VanDerWaalsContact C-N 3.34Å; L91-Y93 PolarHBondContact O-N 2.76Å; Y93-K96 PolarHBondContact O-N 3.03Å; Y93-L97 HydrophobicContact CD1-CD1 4.21Å; Y93-L97 HydrophobicContact CE1-CD1 3.72Å; Y93-L97 HydrophobicContact CE1-CG 4.28Å; Y93-L97 WeakPolarHBondContact O-CG 3.34Å; Y93-L97 PolarHBondContact O-N 3.49Å; Y93-L97 VanDerWaalsContact O-N 3.12Å; Y93-Y121 AromaticContact CD2-CD1 3.72Å; Y93-Y121 HydrophobicContact CD2-CD1 3.72Å; Y93-Y121 AromaticContact CD2-CE1 3.6Å; Y93-Y121 HydrophobicContact CD2-CE1 3.6Å; Y93-Y121 HydrophobicContact CE2-CE1 4.33Å; Y93-Y121 HydrophobicContact CG-CD1 4.39Å; Y93-Y121 HydrophobicContact CG-CE1 4.29Å
94A97.4Very high93.9Very high0 Ų031.1 Ų31.10%017%0.174CC..Hα-helixtrans-61.7-46.9176.400000112.2I57 A60 L61 I64 A90 L91 K96 L97 E98I57-A94 HydrophobicContact CD1-CB 3.99Å; A60-A94 HydrophobicContact CB-CB 4.36Å; L61-A94 HydrophobicContact CB-CB 4.22Å; L61-A94 HydrophobicContact CD1-CB 3.99Å; I64-A94 HydrophobicContact CB-CB 4.36Å; I64-A94 HydrophobicContact CG1-CB 3.94Å; A90-A94 VanDerWaalsContact O-CB 3.32Å; A90-A94 WeakPolarHBondContact O-CB 3.43Å; A90-A94 PolarHBondContact O-N 3.15Å; L91-A94 PolarHBondContact O-N 3.37Å; A94-K96 VanDerWaalsContact C-N 3.31Å; A94-K96 PolarHBondContact O-N 3.27Å; A94-L97 PolarHBondContact O-N 3.04Å; A94-E98 PolarHBondContact O-N 3.24Å
95A96.8Very high95.2Very high0 Ų029.6 Ų29.60%016%0.164CC..Hα-helixtrans-62.9-38.917800000111.7I64 V79 L91 L97 E98 G99 I100 A102I64-A95 HydrophobicContact CD1-CB 4.31Å; V79-A95 HydrophobicContact CG2-CB 3.74Å; L91-A95 WeakPolarHBondContact O-CB 3.21Å; L91-A95 PolarHBondContact O-N 2.99Å; A95-L97 PolarHBondContact O-N 3.03Å; A95-E98 CarbonylContact O-C 3.55Å; A95-E98 PolarHBondContact O-N 2.93Å; A95-G99 PolarHBondContact O-N 3.09Å; A95-I100 CarbonylContact C-O 3.57Å; A95-I100 HydrophobicContact CB-CB 4.27Å; A95-I100 WeakPolarHBondContact CB-O 3.43Å; A95-I100 PolarHBondContact O-N 3.21Å; A95-A102 HydrophobicContact CB-CB 3.92Å
96K95.8Very high95.6Very high133 Ų13329.2 Ų29.258%0.57816%0.16SC*.Hα-helixtrans-60.5-40.9174.5-178.4177.1-174.2170.60112.8T92 Y93 A94 E98 G99 Y121T92-K96 WeakPolarHBondContact O-CB 3.14Å; T92-K96 PolarHBondContact O-N 2.77Å; Y93-K96 PolarHBondContact O-N 3.03Å; A94-K96 VanDerWaalsContact C-N 3.31Å; A94-K96 PolarHBondContact O-N 3.27Å; K96-E98 PolarHBondContact O-N 2.88Å; K96-G99 PolarHBondContact O-N 3.47Å; K96-Y121 WeakPolarHBondContact CD-O 3.22Å
97L94.9Very high95.5Very high78 Ų7826.9 Ų26.941%0.40815%0.148SC..Hα-helixtrans-61.5-34.3177.5-70.5176.7000112L61 Y93 A94 A95L61-L97 HydrophobicContact CD1-CD1 4.41Å; Y93-L97 HydrophobicContact CD1-CD1 4.21Å; Y93-L97 HydrophobicContact CE1-CD1 3.72Å; Y93-L97 HydrophobicContact CE1-CG 4.28Å; Y93-L97 WeakPolarHBondContact O-CG 3.34Å; Y93-L97 PolarHBondContact O-N 3.49Å; Y93-L97 VanDerWaalsContact O-N 3.12Å; A94-L97 PolarHBondContact O-N 3.04Å; A95-L97 PolarHBondContact O-N 3.03Å
98E95.1Very high95.3Very high38 Ų3832.3 Ų32.318%0.17817%0.174CC..Hα-helixtrans-98.71.5-175.3-56.6-59.8163.800113.9I64 R65 I68 K75 A94 A95 K96 I100I64-E98 HydrophobicContact CG2-CB 4.02Å; I64-E98 HydrophobicContact CG2-CG 3.7Å; R65-E98 IonicContact CZ-OE1 3.6Å; R65-E98 IonicContact NE-OE1 3.45Å; R65-E98 PolarHBondContact NE-OE1 3.35Å; R65-E98 IonicContact NH2-OE1 3.33Å; R65-E98 PolarHBondContact NH2-OE1 3.09Å; I68-E98 HydrophobicContact CD1-CB 3.61Å; I68-E98 HydrophobicContact CD1-CG 3.7Å; K75-E98 PolarHBondContact NZ-O 2.89Å; A94-E98 PolarHBondContact O-N 3.24Å; A95-E98 CarbonylContact O-C 3.55Å; A95-E98 PolarHBondContact O-N 2.93Å; K96-E98 PolarHBondContact O-N 2.88Å; E98-I100 HydrophobicContact CB-CD1 4.14Å; E98-I100 HydrophobicContact CB-CG1 4.41Å
99G94.2Very high95Very high66 Ų6637.4 Ų37.468%0.6821%0.205SC*.THydrogen-bonded Turntrans75.127.9178.200000114.7A95 K96A95-G99 PolarHBondContact O-N 3.09Å; K96-G99 PolarHBondContact O-N 3.47Å
100I95.8Very high94.6Very high11 Ų1136.5 Ų36.56%0.05620%0.202CC..  trans-105.1130.6-176.7-58.1167000110.1I64 I68 P76 V79 A95 E98I64-I100 HydrophobicContact CG2-CD1 4.02Å; I68-I100 HydrophobicContact CD1-CD1 4.19Å; I68-I100 HydrophobicContact CG1-CD1 4.16Å; P76-I100 HydrophobicContact CB-CG2 4.43Å; P76-I100 HydrophobicContact CG-CD1 4.4Å; V79-I100 HydrophobicContact CG1-CG2 3.98Å; V79-I100 HydrophobicContact CG2-CG2 4.34Å; A95-I100 CarbonylContact C-O 3.57Å; A95-I100 HydrophobicContact CB-CB 4.27Å; A95-I100 WeakPolarHBondContact CB-O 3.43Å; A95-I100 PolarHBondContact O-N 3.21Å; E98-I100 HydrophobicContact CB-CD1 4.14Å; E98-I100 HydrophobicContact CB-CG1 4.41Å
101P96.6Very high94.1Very high63 Ų6339.6 Ų39.641%0.40922%0.222SC..  trans-59.8135.9172.3-24.834.8000112.5K77 A78 V79 Y103K77-P101 WeakPolarHBondContact O-CD 3.38Å; K77-P101 WeakPolarHBondContact O-CG 3.42Å; A78-P101 CarbonylContact C-O 3.58Å; A78-P101 WeakPolarHBondContact CA-O 3.39Å; A78-P101 HydrophobicContact CB-CB 4.3Å; V79-P101 PolarHBondContact N-O 2.89Å; P101-Y103 HydrophobicContact CB-CE2 4.12Å
102A97.3Very high93.6Very high9 Ų945 Ų457%0.07425%0.251CS..EExtended strand (participates in β ladder)trans-120.4127.2-179.600000112.3V79 A95 I104 A123 S124V79-A102 HydrophobicContact CG2-CB 3.95Å; V79-A102 WeakPolarHBondContact O-CA 3.28Å; A95-A102 HydrophobicContact CB-CB 3.92Å; A102-I104 HydrophobicContact CB-CD1 4.5Å; A102-A123 HydrophobicContact CB-CB 4.45Å; A102-S124 PolarHBondContact O-N 3.38Å
103Y97.3Very high92.9Very high65 Ų6549.2 Ų49.226%0.25528%0.279SS..EExtended strand (participates in β ladder)trans-113.8121.8176.3-63.2-97.9000110.4A78 V79 V80 T81 P101 S124 V126 I142 T146A78-Y103 HydrophobicContact CB-CD2 3.88Å; A78-Y103 HydrophobicContact CB-CE2 3.7Å; V79-Y103 PolarHBondContact O-N 3.44Å; V80-Y103 WeakPolarHBondContact CA-O 3.39Å; T81-Y103 PolarHBondContact N-O 2.77Å; T81-Y103 VanDerWaalsContact N-O 3.09Å; P101-Y103 HydrophobicContact CB-CE2 4.12Å; Y103-S124 WeakPolarHBondContact CA-O 3.33Å; Y103-V126 HydrophobicContact CD1-CG2 4.48Å; Y103-I142 HydrophobicContact CD1-CG2 4.1Å; Y103-I142 HydrophobicContact CG-CG2 3.91Å; Y103-T146 HydrophobicContact CD1-CG2 4.2Å; Y103-T146 HydrophobicContact CD2-CG2 3.93Å; Y103-T146 HydrophobicContact CE1-CG2 3.82Å; Y103-T146 HydrophobicContact CE2-CG2 3.54Å; Y103-T146 HydrophobicContact CG-CG2 4.24Å; Y103-T146 VanDerWaalsContact CZ-CG2 3.48Å
104I96.4Very high92.1Very high0 Ų050.4 Ų50.40%029%0.286CS..EExtended strand (participates in β ladder)trans-116.1111.8-174.3-44.8-61.4000109.5T81 S83 L91 A102 V106 I118 A123 S124 I125 V126T81-I104 HydrophobicContact CG2-CD1 3.67Å; T81-I104 HydrophobicContact CG2-CG2 4.23Å; S83-I104 WeakPolarHBondContact O-CG2 3.34Å; L91-I104 HydrophobicContact CD2-CD1 4.35Å; A102-I104 HydrophobicContact CB-CD1 4.5Å; I104-V106 HydrophobicContact CB-CG2 4.46Å; I104-V106 HydrophobicContact CG2-CG2 3.84Å; I104-I118 HydrophobicContact CB-CG2 4.03Å; I104-I118 HydrophobicContact CG1-CG2 3.72Å; I104-I118 HydrophobicContact CG2-CD1 4.03Å; I104-I118 HydrophobicContact CG2-CG2 4.42Å; I104-A123 HydrophobicContact CG1-CB 3.64Å; I104-S124 PolarHBondContact N-O 3.43Å; I104-I125 WeakPolarHBondContact O-CA 3.34Å; I104-V126 PolarHBondContact O-N 2.89Å
105V95.4Very high91.6Very high0 Ų051.3 Ų51.30%029%0.29CS..EExtended strand (participates in β ladder)trans-79.4121.9175.4-176.50000109.5T81 H82 S83 V126 C128 R135 V138T81-V105 PolarHBondContact O-N 3.18Å; H82-V105 WeakPolarHBondContact CA-O 3.47Å; H82-V105 HydrophobicContact CB-CB 4.11Å; S83-V105 PolarHBondContact N-O 3.14Å; V105-V126 CarbonylContact C-O 3.54Å; V105-V126 VanDerWaalsContact CA-O 3.27Å; V105-V126 WeakPolarHBondContact CA-O 3.29Å; V105-V126 HydrophobicContact CG2-CB 4.38Å; V105-C128 HydrophobicContact CG1-CB 3.96Å; V105-R135 HydrophobicContact CG1-CG 4.26Å; V105-V138 HydrophobicContact CG1-CB 4.03Å; V105-V138 HydrophobicContact CG1-CG1 3.67Å; V105-V138 HydrophobicContact CG2-CG1 4.05Å
106V92.3Very high91.1Very high0 Ų056.4 Ų56.40%032%0.316CS..EExtended strand (participates in β ladder)trans-133.6129.7-170.9173.60000110.5S84 I104 Q108 A110 K115 I118 I125 V126 Y127 C128S84-V106 VanDerWaalsContact CB-CG1 3.47Å; I104-V106 HydrophobicContact CB-CG2 4.46Å; I104-V106 HydrophobicContact CG2-CG2 3.84Å; V106-Q108 PolarHBondContact O-N 3.09Å; V106-A110 HydrophobicContact CG1-CB 3.57Å; V106-K115 HydrophobicContact CG1-CG 4.09Å; V106-I118 HydrophobicContact CG2-CD1 4.23Å; V106-I125 HydrophobicContact CB-CG2 4.06Å; V106-I125 HydrophobicContact CG2-CG2 4.12Å; V106-V126 PolarHBondContact N-O 3.22Å; V106-Y127 VanDerWaalsContact O-CA 3.3Å; V106-Y127 WeakPolarHBondContact O-CA 3.23Å; V106-C128 PolarHBondContact O-N 3.23Å
107P91Very high90.6Very high20 Ų2051.2 Ų51.213%0.1330%0.298CS..EExtended strand (participates in β ladder)trans-58.5139.7170.8-25.935.5000111.7T109 A110 C128 P130P107-T109 PolarHBondContact O-N 2.82Å; P107-T109 VanDerWaalsContact O-N 3.09Å; P107-A110 VanDerWaalsContact O-CB 3.26Å; P107-A110 WeakPolarHBondContact O-CB 3.39Å; P107-A110 PolarHBondContact O-N 3.23Å; P107-C128 CarbonylContact C-O 3.6Å; P107-C128 WeakPolarHBondContact CA-O 3.21Å; P107-P130 HydrophobicContact CB-CB 4.32Å
108Q89.3Confident90.2Very high116 Ų11647.5 Ų47.554%0.54228%0.279SS..THydrogen-bonded Turntrans-55.3-30.3176.6-68.4176.314.600112.6V106 A110 K115 Y127 C128V106-Q108 PolarHBondContact O-N 3.09Å; Q108-A110 VanDerWaalsContact C-N 3.3Å; Q108-A110 PolarHBondContact O-N 3.28Å; Q108-K115 PolarHBondContact O-NZ 3.4Å; Q108-Y127 HydrophobicContact CG-CD1 4.33Å; Q108-Y127 HydrophobicContact CG-CG 4.35Å; Q108-C128 PolarHBondContact N-O 3.03Å
109T88.9Confident89.9Confident106 Ų10650.2 Ų50.265%0.6529%0.292SS*.THydrogen-bonded Turntrans-79.6-3.5179.259.90000114.5P107 P130P107-T109 PolarHBondContact O-N 2.82Å; P107-T109 VanDerWaalsContact O-N 3.09Å; T109-P130 HydrophobicContact CG2-CB 4.23Å; T109-P130 HydrophobicContact CG2-CG 4.02Å
110A86.4Confident89.7Confident7 Ų751 Ų516%0.05829%0.291CS..SBendtrans-64.4147.4-17800000112.4S84 V106 P107 Q108 N112 K115S84-A110 VanDerWaalsContact CB-CB 3.46Å; V106-A110 HydrophobicContact CG1-CB 3.57Å; P107-A110 VanDerWaalsContact O-CB 3.26Å; P107-A110 WeakPolarHBondContact O-CB 3.39Å; P107-A110 PolarHBondContact O-N 3.23Å; Q108-A110 VanDerWaalsContact C-N 3.3Å; Q108-A110 PolarHBondContact O-N 3.28Å; A110-N112 PolarHBondContact O-N 2.89Å; A110-K115 WeakPolarHBondContact O-CE 3.44Å; A110-K115 PolarHBondContact O-NZ 2.85Å
111P85Confident89.3Confident65 Ų6553.7 Ų53.742%0.42230%0.301SS..  trans-55.3132.4179.4-2734.4000113.3C113 K114 K115P111-C113 VanDerWaalsContact C-N 3.28Å; P111-C113 PolarHBondContact O-N 2.65Å; P111-K114 HydrophobicContact CB-CD 4.32Å; P111-K114 HydrophobicContact CB-CG 4.39Å; P111-K114 HydrophobicContact CG-CD 4.23Å; P111-K114 PolarHBondContact O-N 3.17Å; P111-K115 PolarHBondContact O-N 3.39Å
112N86.2Confident88.9Confident112 Ų11253.6 Ų53.660%0.59931%0.312SS*.Hα-helixtrans-60.2-35.3-176.3-73.7-13.2000113.3A110 K114 K115 L116A110-N112 PolarHBondContact O-N 2.89Å; N112-K114 PolarHBondContact O-N 2.96Å; N112-K115 PolarHBondContact O-N 3.5Å; N112-K115 PolarHBondContact OD1-NZ 3.04Å; N112-L116 WeakPolarHBondContact O-CB 3.03Å; N112-L116 WeakPolarHBondContact O-CG 3.29Å; N112-L116 PolarHBondContact O-N 3.26Å
113C83.3Confident88.4Confident92 Ų9253.7 Ų53.762%0.62231%0.313SS*.Hα-helixtrans-57.2-35.417657.70000112.5P111 A117P111-C113 VanDerWaalsContact C-N 3.28Å; P111-C113 PolarHBondContact O-N 2.65Å; C113-A117 WeakPolarHBondContact O-CB 3.27Å; C113-A117 PolarHBondContact O-N 3.09Å; C113-A117 VanDerWaalsContact O-N 3.09Å
114K79.2Confident88.2Confident78 Ų7853.4 Ų53.434%0.33932%0.32SS..Hα-helixtrans-77-37.3178.9-60.8175.9170.8-179.80112S84 P111 N112 A117 I118S84-K114 WeakPolarHBondContact O-CB 3.34Å; S84-K114 VanDerWaalsContact O-CD 3.29Å; S84-K114 WeakPolarHBondContact O-CD 3.39Å; P111-K114 HydrophobicContact CB-CD 4.32Å; P111-K114 HydrophobicContact CB-CG 4.39Å; P111-K114 HydrophobicContact CG-CD 4.23Å; P111-K114 PolarHBondContact O-N 3.17Å; N112-K114 PolarHBondContact O-N 2.96Å; K114-A117 PolarHBondContact O-N 2.95Å; K114-I118 WeakPolarHBondContact O-CD1 3.33Å; K114-I118 WeakPolarHBondContact O-CG1 3.47Å; K114-I118 PolarHBondContact O-N 3.03Å; K114-I118 VanDerWaalsContact O-N 3.12Å
115K86.3Confident88.1Confident18 Ų1854.7 Ų54.78%0.07833%0.327CS..Hα-helixtrans-61.7-48.3173-63.5172.7-176161.20111V106 Q108 A110 P111 N112 A117 I118 Q119 I125 Y127V106-K115 HydrophobicContact CG1-CG 4.09Å; Q108-K115 PolarHBondContact O-NZ 3.4Å; A110-K115 WeakPolarHBondContact O-CE 3.44Å; A110-K115 PolarHBondContact O-NZ 2.85Å; P111-K115 PolarHBondContact O-N 3.39Å; N112-K115 PolarHBondContact O-N 3.5Å; N112-K115 PolarHBondContact OD1-NZ 3.04Å; K115-A117 VanDerWaalsContact C-N 3.32Å; K115-A117 PolarHBondContact O-N 3.48Å; K115-I118 PolarHBondContact O-N 2.89Å; K115-Q119 PolarHBondContact O-N 3.43Å; K115-I125 HydrophobicContact CB-CD1 4.01Å; K115-I125 WeakPolarHBondContact O-CD1 3.49Å; K115-Y127 HydrophobicContact CD-CE1 4.05Å
116L87.5Confident88.1Confident108 Ų10855.8 Ų55.857%0.56533%0.333SS*.Hα-helixtrans-60.9-40.3177.9-71.8170.3000111.9N112 Q119 A120N112-L116 WeakPolarHBondContact O-CB 3.03Å; N112-L116 WeakPolarHBondContact O-CG 3.29Å; N112-L116 PolarHBondContact O-N 3.26Å; L116-Q119 PolarHBondContact O-N 3.39Å; L116-A120 WeakPolarHBondContact O-CB 3.37Å; L116-A120 PolarHBondContact O-N 3.02Å
117A84.1Confident88.2Confident24 Ų2461 Ų6120%0.19835%0.354CS..Hα-helixtrans-63-42.5176.100000112.4Q89 C113 K114 K115 A120 Y121Q89-A117 VanDerWaalsContact CD-CB 3.46Å; Q89-A117 HydrophobicContact CG-CB 3.94Å; C113-A117 WeakPolarHBondContact O-CB 3.27Å; C113-A117 PolarHBondContact O-N 3.09Å; C113-A117 VanDerWaalsContact O-N 3.09Å; K114-A117 PolarHBondContact O-N 2.95Å; K115-A117 VanDerWaalsContact C-N 3.32Å; K115-A117 PolarHBondContact O-N 3.48Å; A117-A120 PolarHBondContact O-N 2.74Å; A117-Y121 WeakPolarHBondContact O-CD2 3.48Å; A117-Y121 PolarHBondContact O-N 3.48Å
118I86.1Confident88.3Confident0 Ų060.2 Ų60.20%035%0.349CS..Hα-helixtrans-62.6-45.4175.8-69.7162.2000110.8Q89 I104 V106 K114 K115 A120 Y121 G122 A123 I125Q89-I118 HydrophobicContact CG-CG1 3.87Å; I104-I118 HydrophobicContact CB-CG2 4.03Å; I104-I118 HydrophobicContact CG1-CG2 3.72Å; I104-I118 HydrophobicContact CG2-CD1 4.03Å; I104-I118 HydrophobicContact CG2-CG2 4.42Å; V106-I118 HydrophobicContact CG2-CD1 4.23Å; K114-I118 WeakPolarHBondContact O-CD1 3.33Å; K114-I118 WeakPolarHBondContact O-CG1 3.47Å; K114-I118 PolarHBondContact O-N 3.03Å; K114-I118 VanDerWaalsContact O-N 3.12Å; K115-I118 PolarHBondContact O-N 2.89Å; I118-A120 PolarHBondContact O-N 2.97Å; I118-Y121 PolarHBondContact O-N 3.41Å; I118-G122 PolarHBondContact O-N 3.01Å; I118-A123 HydrophobicContact CG2-CB 3.52Å; I118-A123 PolarHBondContact O-N 3.2Å; I118-I125 HydrophobicContact CB-CD1 4.06Å; I118-I125 HydrophobicContact CB-CG1 4.41Å; I118-I125 HydrophobicContact CG2-CD1 3.93Å; I118-I125 HydrophobicContact CG2-CG1 3.71Å
119Q88.7Confident88.5Confident95 Ų9558.9 Ų58.944%0.44435%0.345SS..Hα-helixtrans-62.6-40.3176.5-74.3174-31.700112.4K115 L116 Y121 G122 I125K115-Q119 PolarHBondContact O-N 3.43Å; L116-Q119 PolarHBondContact O-N 3.39Å; Q119-Y121 PolarHBondContact O-N 3.44Å; Q119-G122 WeakPolarHBondContact O-CA 3.03Å; Q119-G122 PolarHBondContact O-N 2.96Å; Q119-I125 HydrophobicContact CG-CD1 3.6Å; Q119-I125 HydrophobicContact CG-CG1 4.08Å
120A90.4Very high88.5Confident81 Ų8158 Ų5867%0.66934%0.341SS*.Hα-helixtrans-62.6-30.1178.400000112.7L116 A117 I118 G122L116-A120 WeakPolarHBondContact O-CB 3.37Å; L116-A120 PolarHBondContact O-N 3.02Å; A117-A120 PolarHBondContact O-N 2.74Å; I118-A120 PolarHBondContact O-N 2.97Å; A120-G122 VanDerWaalsContact C-N 3.29Å
121Y86.9Confident88.7Confident68 Ų6860.2 Ų60.227%0.26736%0.356SS..THydrogen-bonded Turntrans-79.4-8.1172.1-71.4-60.9000113.7T52 Q89 T92 Y93 K96 A117 I118 Q119T52-Y121 HydrophobicContact CG2-CE2 4.25Å; Q89-Y121 HydrophobicContact CB-CD2 4.27Å; Q89-Y121 HydrophobicContact CB-CE2 4.18Å; T92-Y121 VanDerWaalsContact CG2-CB 3.42Å; Y93-Y121 AromaticContact CD2-CD1 3.72Å; Y93-Y121 HydrophobicContact CD2-CD1 3.72Å; Y93-Y121 AromaticContact CD2-CE1 3.6Å; Y93-Y121 HydrophobicContact CD2-CE1 3.6Å; Y93-Y121 HydrophobicContact CE2-CE1 4.33Å; Y93-Y121 HydrophobicContact CG-CD1 4.39Å; Y93-Y121 HydrophobicContact CG-CE1 4.29Å; K96-Y121 WeakPolarHBondContact CD-O 3.22Å; A117-Y121 WeakPolarHBondContact O-CD2 3.48Å; A117-Y121 PolarHBondContact O-N 3.48Å; I118-Y121 PolarHBondContact O-N 3.41Å; Q119-Y121 PolarHBondContact O-N 3.44Å
122G88.4Confident88.8Confident61 Ų6161.8 Ų61.863%0.62936%0.361SS*.THydrogen-bonded Turntrans97.115.8172.800000115.5I118 Q119 A120I118-G122 PolarHBondContact O-N 3.01Å; Q119-G122 WeakPolarHBondContact O-CA 3.03Å; Q119-G122 PolarHBondContact O-N 2.96Å; A120-G122 VanDerWaalsContact C-N 3.29Å
123A87.6Confident89.1Confident12 Ų1263.8 Ų63.810%0.09937%0.367CS..  trans-77.1151.2176.300000113T92 A102 I104 I118 I125T92-A123 HydrophobicContact CG2-CB 3.32Å; T92-A123 VanDerWaalsContact OG1-CB 3.23Å; T92-A123 WeakPolarHBondContact OG1-CB 3.26Å; A102-A123 HydrophobicContact CB-CB 4.45Å; I104-A123 HydrophobicContact CG1-CB 3.64Å; I118-A123 HydrophobicContact CG2-CB 3.52Å; I118-A123 PolarHBondContact O-N 3.2Å; A123-I125 PolarHBondContact O-N 3.19Å
124S93.3Very high89.5Confident58 Ų5860.2 Ų60.241%0.40634%0.343SS..EExtended strand (participates in β ladder)trans-81.5111.3163.6-61.10000109.7A102 Y103 I104A102-S124 PolarHBondContact O-N 3.38Å; Y103-S124 WeakPolarHBondContact CA-O 3.33Å; I104-S124 PolarHBondContact N-O 3.43Å
125I93.9Very high90.1Very high28 Ų2859.7 Ų59.714%0.14434%0.339CS..EExtended strand (participates in β ladder)trans-80.7130.4173.5-64.4-172.7000109.7I104 V106 K115 I118 Q119 A123 Y127I104-I125 WeakPolarHBondContact O-CA 3.34Å; V106-I125 HydrophobicContact CB-CG2 4.06Å; V106-I125 HydrophobicContact CG2-CG2 4.12Å; K115-I125 HydrophobicContact CB-CD1 4.01Å; K115-I125 WeakPolarHBondContact O-CD1 3.49Å; I118-I125 HydrophobicContact CB-CD1 4.06Å; I118-I125 HydrophobicContact CB-CG1 4.41Å; I118-I125 HydrophobicContact CG2-CD1 3.93Å; I118-I125 HydrophobicContact CG2-CG1 3.71Å; Q119-I125 HydrophobicContact CG-CD1 3.6Å; Q119-I125 HydrophobicContact CG-CG1 4.08Å; A123-I125 PolarHBondContact O-N 3.19Å; I125-Y127 HydrophobicContact CG2-CD1 4.17Å; I125-Y127 HydrophobicContact CG2-CE1 3.79Å; I125-Y127 HydrophobicContact CG2-CE2 4.24Å
126V94.7Very high90.3Very high23 Ų2364.3 Ų64.314%0.13936%0.361CS..EExtended strand (participates in β ladder)trans-115.4124171.9-175.50000108.5Y103 I104 V105 V106 V138 I142Y103-V126 HydrophobicContact CD1-CG2 4.48Å; I104-V126 PolarHBondContact O-N 2.89Å; V105-V126 CarbonylContact C-O 3.54Å; V105-V126 VanDerWaalsContact CA-O 3.27Å; V105-V126 WeakPolarHBondContact CA-O 3.29Å; V105-V126 HydrophobicContact CG2-CB 4.38Å; V106-V126 PolarHBondContact N-O 3.22Å; V126-V138 HydrophobicContact CG1-CG1 3.58Å; V126-I142 HydrophobicContact CB-CD1 4.39Å; V126-I142 HydrophobicContact CB-CG1 4.28Å; V126-I142 HydrophobicContact CG1-CD1 3.86Å; V126-I142 HydrophobicContact CG1-CG1 3.9Å; V126-I142 HydrophobicContact CG2-CD1 3.8Å; V126-I142 HydrophobicContact CG2-CG1 3.98Å
127Y94.4Very high90.7Very high108 Ų10866.6 Ų66.642%0.42437%0.367SS..EExtended strand (participates in β ladder)trans-84.1144.2-177.8-66.1-69.8000112.5V106 Q108 K115 I125V106-Y127 VanDerWaalsContact O-CA 3.3Å; V106-Y127 WeakPolarHBondContact O-CA 3.23Å; Q108-Y127 HydrophobicContact CG-CD1 4.33Å; Q108-Y127 HydrophobicContact CG-CG 4.35Å; K115-Y127 HydrophobicContact CD-CE1 4.05Å; I125-Y127 HydrophobicContact CG2-CD1 4.17Å; I125-Y127 HydrophobicContact CG2-CE1 3.79Å; I125-Y127 HydrophobicContact CG2-CE2 4.24Å
128C93.8Very high91.3Very high4 Ų466.3 Ų66.33%0.02736%0.362CS..EExtended strand (participates in β ladder)trans-132.4169.2169.772.10000111.1V105 V106 P107 Q108 V138V105-C128 HydrophobicContact CG1-CB 3.96Å; V106-C128 PolarHBondContact O-N 3.23Å; P107-C128 CarbonylContact C-O 3.6Å; P107-C128 WeakPolarHBondContact CA-O 3.21Å; Q108-C128 PolarHBondContact N-O 3.03Å; C128-V138 HydrophobicContact CB-CB 4.07Å; C128-V138 HydrophobicContact CB-CG1 4.37Å; C128-V138 HydrophobicContact CB-CG2 3.83Å
129D93.6Very high91.8Very high88 Ų8866.4 Ų66.447%0.47136%0.363SS..  trans-71.5157.3170-57.8-49.1000110.1S131 S134D129-S131 PolarHBondContact O-N 2.75Å; D129-S134 WeakPolarHBondContact CB-OG 3.33Å; D129-S134 PolarHBondContact N-OG 3.22Å; D129-S134 PolarHBondContact OD2-OG 3.4Å
130P88.5Confident92.1Very high87 Ų8766.5 Ų66.557%0.56536%0.363SS*.SBendtrans-7855.2-179.834.5-37.5000112.5P107 T109P107-P130 HydrophobicContact CB-CB 4.32Å; T109-P130 HydrophobicContact CG2-CB 4.23Å; T109-P130 HydrophobicContact CG2-CG 4.02Å
131S90Very high92.5Very high54 Ų5467.3 Ų67.338%0.37835%0.349SS..SBendtrans-133.3150.7171.670.60000110.7D129 E133 S134 R135D129-S131 PolarHBondContact O-N 2.75Å; S131-E133 VanDerWaalsContact C-N 3.31Å; S131-E133 PolarHBondContact O-N 3.05Å; S131-S134 PolarHBondContact O-N 3.15Å; S131-S134 WeakPolarHBondContact OG-CB 3.37Å; S131-S134 PolarHBondContact OG-N 3.11Å; S131-S134 VanDerWaalsContact OG-N 3.11Å; S131-R135 WeakPolarHBondContact O-CB 3.45Å; S131-R135 PolarHBondContact O-N 2.82Å
132D87.3Confident93Very high98 Ų9864.4 Ų64.452%0.52434%0.338SS..Hα-helixtrans-63-40.2177.5-71.2-37.2000111.1S134 R135 E136D132-S134 PolarHBondContact O-N 2.55Å; D132-R135 WeakPolarHBondContact O-CB 3.33Å; D132-R135 PolarHBondContact O-N 3.34Å; D132-R135 IonicContact OD1-CZ 3.52Å; D132-R135 IonicContact OD1-NH1 2.75Å; D132-R135 PolarHBondContact OD1-NH1 3.07Å; D132-R135 VanDerWaalsContact OD1-NH1 3.17Å; D132-R135 IonicContact OD1-NH2 2.77Å; D132-R135 PolarHBondContact OD1-NH2 3.03Å; D132-E136 WeakPolarHBondContact O-CG 3.33Å; D132-E136 PolarHBondContact O-N 3.42Å
133E92.1Very high93.4Very high154 Ų15463.5 Ų63.572%0.7232%0.318SS*.Hα-helixtrans-59.1-48.2175.8-174.1-173.4177.700112.6S131 R135 E136 K137S131-E133 VanDerWaalsContact C-N 3.31Å; S131-E133 PolarHBondContact O-N 3.05Å; E133-R135 VanDerWaalsContact C-N 3.3Å; E133-R135 PolarHBondContact O-N 3.11Å; E133-E136 PolarHBondContact O-N 3.09Å; E133-K137 VanDerWaalsContact O-CB 3.29Å; E133-K137 WeakPolarHBondContact O-CB 3.34Å; E133-K137 PolarHBondContact O-N 3.3Å
134S93Very high93.9Very high18 Ų1870.1 Ų70.113%0.12635%0.347CS..Hα-helixtrans-63.9-40.3178.8-1740000110.7D129 S131 D132 K137 V138D129-S134 WeakPolarHBondContact CB-OG 3.33Å; D129-S134 PolarHBondContact N-OG 3.22Å; D129-S134 PolarHBondContact OD2-OG 3.4Å; S131-S134 PolarHBondContact O-N 3.15Å; S131-S134 WeakPolarHBondContact OG-CB 3.37Å; S131-S134 PolarHBondContact OG-N 3.11Å; S131-S134 VanDerWaalsContact OG-N 3.11Å; D132-S134 PolarHBondContact O-N 2.55Å; S134-K137 PolarHBondContact O-N 2.86Å; S134-V138 WeakPolarHBondContact O-CB 3.16Å; S134-V138 VanDerWaalsContact O-CG2 3.23Å; S134-V138 WeakPolarHBondContact O-CG2 3.24Å; S134-V138 PolarHBondContact O-N 3.19Å
135R91.7Very high94.1Very high67 Ų6773.1 Ų73.125%0.25335%0.354SS..Hα-helixtrans-64-45.1178.9-167.9175.376.7-148.2-11.4112.1H82 V105 S131 D132 E133 T139H82-R135 HydrophobicContact CB-CG 3.41Å; H82-R135 VanDerWaalsContact CB-CG 3.41Å; H82-R135 PolarHBondContact ND1-NE 3.34Å; V105-R135 HydrophobicContact CG1-CG 4.26Å; S131-R135 WeakPolarHBondContact O-CB 3.45Å; S131-R135 PolarHBondContact O-N 2.82Å; D132-R135 WeakPolarHBondContact O-CB 3.33Å; D132-R135 PolarHBondContact O-N 3.34Å; D132-R135 IonicContact OD1-CZ 3.52Å; D132-R135 IonicContact OD1-NH1 2.75Å; D132-R135 PolarHBondContact OD1-NH1 3.07Å; D132-R135 VanDerWaalsContact OD1-NH1 3.17Å; D132-R135 IonicContact OD1-NH2 2.77Å; D132-R135 PolarHBondContact OD1-NH2 3.03Å; E133-R135 VanDerWaalsContact C-N 3.3Å; E133-R135 PolarHBondContact O-N 3.11Å; R135-T139 WeakPolarHBondContact O-CB 3.42Å; R135-T139 PolarHBondContact O-N 3.2Å; R135-T139 PolarHBondContact O-OG1 3.05Å
136E90.9Very high94.2Very high115 Ų11572.9 Ų72.954%0.53735%0.354SS..Hα-helixtrans-64.2-48.8175.9-74.9175.5-169.200111.3D132 E133 V138 T139 Q140D132-E136 WeakPolarHBondContact O-CG 3.33Å; D132-E136 PolarHBondContact O-N 3.42Å; E133-E136 PolarHBondContact O-N 3.09Å; E136-V138 PolarHBondContact O-N 3.4Å; E136-T139 WeakPolarHBondContact O-CB 3.39Å; E136-T139 PolarHBondContact O-N 2.96Å; E136-T139 VanDerWaalsContact O-N 3.17Å; E136-Q140 WeakPolarHBondContact O-CG 3.48Å; E136-Q140 PolarHBondContact O-N 2.97Å
137K95.7Very high94.3Very high156 Ų15677.9 Ų77.968%0.67838%0.376SS*.Hα-helixtrans-58.4-45.9178.8-175.6178179.4178.50112.3E133 S134 Q140 R141E133-K137 VanDerWaalsContact O-CB 3.29Å; E133-K137 WeakPolarHBondContact O-CB 3.34Å; E133-K137 PolarHBondContact O-N 3.3Å; S134-K137 PolarHBondContact O-N 2.86Å; K137-Q140 PolarHBondContact O-N 3Å; K137-R141 WeakPolarHBondContact O-CB 3.08Å; K137-R141 PolarHBondContact O-N 2.85Å
138V96.6Very high94.4Very high18 Ų1873.1 Ų73.111%0.10936%0.36CS..Hα-helixtrans-67.2-39.6177.51730000111V105 V126 C128 S134 E136 R141 I142V105-V138 HydrophobicContact CG1-CB 4.03Å; V105-V138 HydrophobicContact CG1-CG1 3.67Å; V105-V138 HydrophobicContact CG2-CG1 4.05Å; V126-V138 HydrophobicContact CG1-CG1 3.58Å; C128-V138 HydrophobicContact CB-CB 4.07Å; C128-V138 HydrophobicContact CB-CG1 4.37Å; C128-V138 HydrophobicContact CB-CG2 3.83Å; S134-V138 WeakPolarHBondContact O-CB 3.16Å; S134-V138 VanDerWaalsContact O-CG2 3.23Å; S134-V138 WeakPolarHBondContact O-CG2 3.24Å; S134-V138 PolarHBondContact O-N 3.19Å; E136-V138 PolarHBondContact O-N 3.4Å; V138-R141 PolarHBondContact O-N 3.39Å; V138-I142 HydrophobicContact CG1-CG1 4.41Å; V138-I142 VanDerWaalsContact O-CG1 3.32Å; V138-I142 WeakPolarHBondContact O-CG1 3.41Å; V138-I142 PolarHBondContact O-N 3.17Å
139T95.9Very high94.5Very high2 Ų276.1 Ų76.11%0.01238%0.375CS..Hα-helixtrans-59.7-49.7175.5-57.70000111.2V80 R135 E136 R141 I142 M143 L150V80-T139 HydrophobicContact CG1-CG2 3.98Å; R135-T139 WeakPolarHBondContact O-CB 3.42Å; R135-T139 PolarHBondContact O-N 3.2Å; R135-T139 PolarHBondContact O-OG1 3.05Å; E136-T139 WeakPolarHBondContact O-CB 3.39Å; E136-T139 PolarHBondContact O-N 2.96Å; E136-T139 VanDerWaalsContact O-N 3.17Å; T139-R141 VanDerWaalsContact C-N 3.33Å; T139-R141 PolarHBondContact O-N 3.11Å; T139-I142 PolarHBondContact O-N 2.97Å; T139-M143 HydrophobicContact CG2-CG 4.48Å; T139-M143 HydrophobicContact CG2-SD 4.08Å; T139-M143 WeakPolarHBondContact O-CG 3.41Å; T139-M143 PolarHBondContact O-N 3.35Å; T139-L150 HydrophobicContact CG2-CD1 3.77Å
140Q96.1Very high94.7Very high96 Ų9673.9 Ų73.945%0.44936%0.363SS..Hα-helixtrans-60.1-43.1179-70.8-63.6-19.200112.1E136 K137 I142 M143 Q144E136-Q140 WeakPolarHBondContact O-CG 3.48Å; E136-Q140 PolarHBondContact O-N 2.97Å; K137-Q140 PolarHBondContact O-N 3Å; Q140-I142 PolarHBondContact O-N 2.96Å; Q140-M143 PolarHBondContact O-N 3.34Å; Q140-Q144 WeakPolarHBondContact O-CG 3.23Å; Q140-Q144 PolarHBondContact O-N 3.47Å
141R97.8Very high95.1Very high98 Ų9869.9 Ų69.937%0.3734%0.337SS..Hα-helixtrans-57.8-47.8174.9-179.3179.963.376.32.6111.7K137 V138 T139 M143 Q144 E145K137-R141 WeakPolarHBondContact O-CB 3.08Å; K137-R141 PolarHBondContact O-N 2.85Å; V138-R141 PolarHBondContact O-N 3.39Å; T139-R141 VanDerWaalsContact C-N 3.33Å; T139-R141 PolarHBondContact O-N 3.11Å; R141-M143 PolarHBondContact O-N 3.17Å; R141-Q144 PolarHBondContact O-N 2.93Å; R141-E145 WeakPolarHBondContact CD-OE1 3.41Å; R141-E145 HydrophobicContact CG-CG 4.45Å; R141-E145 WeakPolarHBondContact CG-OE1 3.38Å; R141-E145 IonicContact CZ-OE1 3.17Å; R141-E145 IonicContact NH1-OE1 2.69Å; R141-E145 PolarHBondContact NH1-OE1 3.49Å; R141-E145 IonicContact NH1-OE2 3.14Å; R141-E145 PolarHBondContact NH1-OE2 3.41Å; R141-E145 WeakPolarHBondContact O-CG 3.16Å; R141-E145 PolarHBondContact O-N 3.41Å
142I97.8Very high95.4Very high8 Ų869.4 Ų69.44%0.04133%0.328CS..Hα-helixtrans-66.6-38.1-179.6-64.4-58.9000111.8V80 Y103 V126 V138 T139 Q140 Q144 E145 T146V80-I142 HydrophobicContact CG1-CB 4.31Å; V80-I142 HydrophobicContact CG1-CG2 3.97Å; V80-I142 HydrophobicContact CG2-CG2 4.03Å; Y103-I142 HydrophobicContact CD1-CG2 4.1Å; Y103-I142 HydrophobicContact CG-CG2 3.91Å; V126-I142 HydrophobicContact CB-CD1 4.39Å; V126-I142 HydrophobicContact CB-CG1 4.28Å; V126-I142 HydrophobicContact CG1-CD1 3.86Å; V126-I142 HydrophobicContact CG1-CG1 3.9Å; V126-I142 HydrophobicContact CG2-CD1 3.8Å; V126-I142 HydrophobicContact CG2-CG1 3.98Å; V138-I142 HydrophobicContact CG1-CG1 4.41Å; V138-I142 VanDerWaalsContact O-CG1 3.32Å; V138-I142 WeakPolarHBondContact O-CG1 3.41Å; V138-I142 PolarHBondContact O-N 3.17Å; T139-I142 PolarHBondContact O-N 2.97Å; Q140-I142 PolarHBondContact O-N 2.96Å; I142-Q144 VanDerWaalsContact C-N 3.3Å; I142-Q144 PolarHBondContact O-N 2.89Å; I142-E145 WeakPolarHBondContact CD1-OE2 3.35Å; I142-E145 PolarHBondContact O-N 3.26Å; I142-T146 HydrophobicContact CG2-CG2 4.09Å; I142-T146 WeakPolarHBondContact O-CB 3.43Å; I142-T146 WeakPolarHBondContact O-CG2 3.37Å; I142-T146 PolarHBondContact O-N 3.48Å; I142-T146 PolarHBondContact O-OG1 3.42Å
143M97.6Very high95.6Very high42 Ų4265.4 Ų65.421%0.20731%0.308CS..Hα-helixtrans-58.9-42.4173.6-69.5170.766.600111.7V80 T139 Q140 R141 E147 G148 L150V80-M143 HydrophobicContact CB-CG 3.98Å; V80-M143 HydrophobicContact CG1-CG 4.2Å; V80-M143 HydrophobicContact CG2-CG 3.95Å; T139-M143 HydrophobicContact CG2-CG 4.48Å; T139-M143 HydrophobicContact CG2-SD 4.08Å; T139-M143 WeakPolarHBondContact O-CG 3.41Å; T139-M143 PolarHBondContact O-N 3.35Å; Q140-M143 PolarHBondContact O-N 3.34Å; R141-M143 PolarHBondContact O-N 3.17Å; M143-E147 CarbonylContact O-C 3.39Å; M143-E147 WeakPolarHBondContact O-CA 3.48Å; M143-E147 PolarHBondContact O-N 2.85Å; M143-G148 PolarHBondContact O-N 3.43Å; M143-G148 VanDerWaalsContact O-N 3.11Å; M143-L150 HydrophobicContact CE-CB 3.76Å; M143-L150 HydrophobicContact SD-CB 3.71Å; M143-L150 HydrophobicContact SD-CD2 4.41Å
144Q97.4Very high95.6Very high151 Ų15162.1 Ų62.171%0.70630%0.295SS*.Hα-helixtrans-67.3-42.7177-68.8171.42.400112.4Q140 R141 I142 T146Q140-Q144 WeakPolarHBondContact O-CG 3.23Å; Q140-Q144 PolarHBondContact O-N 3.47Å; R141-Q144 PolarHBondContact O-N 2.93Å; I142-Q144 VanDerWaalsContact C-N 3.3Å; I142-Q144 PolarHBondContact O-N 2.89Å; Q144-T146 VanDerWaalsContact C-N 3.34Å; Q144-T146 PolarHBondContact O-N 3.07Å
145E97.7Very high95.6Very high120 Ų12067.8 Ų67.856%0.56132%0.32SS*.Hα-helixtrans-68.4-31.7-179.5-73.4171.1-170.100113.2R141 I142R141-E145 WeakPolarHBondContact CD-OE1 3.41Å; R141-E145 HydrophobicContact CG-CG 4.45Å; R141-E145 WeakPolarHBondContact CG-OE1 3.38Å; R141-E145 IonicContact CZ-OE1 3.17Å; R141-E145 IonicContact NH1-OE1 2.69Å; R141-E145 PolarHBondContact NH1-OE1 3.49Å; R141-E145 IonicContact NH1-OE2 3.14Å; R141-E145 PolarHBondContact NH1-OE2 3.41Å; R141-E145 WeakPolarHBondContact O-CG 3.16Å; R141-E145 PolarHBondContact O-N 3.41Å; I142-E145 WeakPolarHBondContact CD1-OE2 3.35Å; I142-E145 PolarHBondContact O-N 3.26Å
146T96.6Very high95.8Very high24 Ų2467.8 Ų67.815%0.14732%0.322CS..Hα-helixtrans-106.1-5.6-173.961.40000113.5Y103 I142 Q144 G148Y103-T146 HydrophobicContact CD1-CG2 4.2Å; Y103-T146 HydrophobicContact CD2-CG2 3.93Å; Y103-T146 HydrophobicContact CE1-CG2 3.82Å; Y103-T146 HydrophobicContact CE2-CG2 3.54Å; Y103-T146 HydrophobicContact CG-CG2 4.24Å; Y103-T146 VanDerWaalsContact CZ-CG2 3.48Å; I142-T146 HydrophobicContact CG2-CG2 4.09Å; I142-T146 WeakPolarHBondContact O-CB 3.43Å; I142-T146 WeakPolarHBondContact O-CG2 3.37Å; I142-T146 PolarHBondContact O-N 3.48Å; I142-T146 PolarHBondContact O-OG1 3.42Å; Q144-T146 VanDerWaalsContact C-N 3.34Å; Q144-T146 PolarHBondContact O-N 3.07Å; T146-G148 PolarHBondContact O-N 3.35Å; T146-G148 PolarHBondContact OG1-N 3.07Å
147E96.5Very high96.2Very high127 Ų12764.6 Ų64.659%0.59331%0.312SS*.THydrogen-bonded Turntrans5035.7-166.5-60.5171.199.900111.5K77 M143K77-E147 HydrophobicContact CD-CB 3.95Å; K77-E147 VanDerWaalsContact CD-OE2 3.3Å; K77-E147 WeakPolarHBondContact CD-OE2 3.27Å; K77-E147 IonicContact NZ-OE1 3.1Å; K77-E147 PolarHBondContact NZ-OE1 3.02Å; K77-E147 VanDerWaalsContact NZ-OE1 3.1Å; K77-E147 IonicContact NZ-OE2 2.59Å; K77-E147 PolarHBondContact NZ-OE2 3.46Å; M143-E147 CarbonylContact O-C 3.39Å; M143-E147 WeakPolarHBondContact O-CA 3.48Å; M143-E147 PolarHBondContact O-N 2.85Å
148G95.5Very high96.3Very high8 Ų858.6 Ų58.68%0.08229%0.292CS..PPolyproline II helixtrans-89151.8-171.400000113.4A78 M143 T146A78-G148 CarbonylContact O-C 3.56Å; A78-G148 VanDerWaalsContact O-CA 3.24Å; A78-G148 WeakPolarHBondContact O-CA 3.24Å; M143-G148 PolarHBondContact O-N 3.43Å; M143-G148 VanDerWaalsContact O-N 3.11Å; T146-G148 PolarHBondContact O-N 3.35Å; T146-G148 PolarHBondContact OG1-N 3.07Å
149I96.9Very high96.4Very high68 Ų6857.8 Ų57.835%0.34929%0.287SS..EExtended strand (participates in β ladder)trans-92.3130178.7-57.6-180000109.7L67 P76 A78 V79 V80 V151L67-I149 HydrophobicContact CD1-CB 4.28Å; L67-I149 HydrophobicContact CD1-CD1 4.36Å; L67-I149 HydrophobicContact CD1-CG2 3.95Å; L67-I149 HydrophobicContact CD2-CD1 4.02Å; L67-I149 HydrophobicContact CD2-CG2 4.07Å; P76-I149 HydrophobicContact CB-CD1 3.96Å; P76-I149 HydrophobicContact CB-CG1 4.42Å; P76-I149 HydrophobicContact CG-CD1 3.96Å; A78-I149 PolarHBondContact O-N 3.41Å; V79-I149 WeakPolarHBondContact CA-O 3.27Å; V80-I149 PolarHBondContact N-O 3.11Å; I149-V151 PolarHBondContact O-N 2.73Å
150L97.3Very high96.5Very high41 Ų4160.1 Ų60.122%0.21530%0.298CS..EExtended strand (participates in β ladder)trans-71.5125.3172.9178.658.8000110.2V80 T139 M143V80-L150 CarbonylContact O-C 3.58Å; V80-L150 WeakPolarHBondContact O-CA 3.39Å; V80-L150 WeakPolarHBondContact O-CD1 3.47Å; T139-L150 HydrophobicContact CG2-CD1 3.77Å; M143-L150 HydrophobicContact CE-CB 3.76Å; M143-L150 HydrophobicContact SD-CB 3.71Å; M143-L150 HydrophobicContact SD-CD2 4.41Å
151V97.2Very high96.6Very high2 Ų255.7 Ų55.71%0.01228%0.278CS..  trans-108.195.9166.8-177.70000108.5A63 L67 V79 V80 T81 H87 L91 I149 V159A63-V151 HydrophobicContact CB-CG1 3.71Å; L67-V151 HydrophobicContact CD1-CG2 4.01Å; V79-V151 HydrophobicContact CB-CG2 4.43Å; V79-V151 HydrophobicContact CG1-CG2 4.33Å; V80-V151 PolarHBondContact O-N 3.15Å; T81-V151 WeakPolarHBondContact CB-O 3.36Å; T81-V151 PolarHBondContact OG1-O 2.97Å; H87-V151 PolarHBondContact NE2-O 3.38Å; L91-V151 HydrophobicContact CD1-CB 3.78Å; L91-V151 HydrophobicContact CD1-CG1 3.76Å; L91-V151 HydrophobicContact CD1-CG2 4.02Å; L91-V151 HydrophobicContact CD2-CB 4.08Å; I149-V151 PolarHBondContact O-N 2.73Å; V151-V159 HydrophobicContact CG1-CG2 3.76Å
152H95.2Very high96.7Very high44 Ų4451 Ų5120%0.20426%0.26CS..  trans-65.6137.4-174.8-162.5-84.6000111.2H82 N154 Q155 E156H82-H152 AromaticContact CE1-CD2 3.74Å; H82-H152 AromaticContact CE1-NE2 3.35Å; H82-H152 PolarHBondContact CE1-NE2 2.83Å; H82-H152 VanDerWaalsContact CE1-NE2 3.35Å; H82-H152 AromaticContact NE2-CD2 3.53Å; H82-H152 AromaticContact NE2-NE2 3.56Å; H152-N154 PolarHBondContact CE1-OD1 3.21Å; H152-N154 PolarHBondContact ND1-OD1 3.28Å; H152-N154 PolarHBondContact O-N 3.28Å; H152-Q155 HydrophobicContact CB-CB 4.33Å; H152-Q155 WeakPolarHBondContact ND1-CB 3.49Å; H152-Q155 WeakPolarHBondContact ND1-CG 3.42Å; H152-Q155 PolarHBondContact ND1-N 3.38Å; H152-Q155 VanDerWaalsContact ND1-N 3.17Å; H152-E156 HydrophobicContact CB-CB 4.21Å
153P92.2Very high96.7Very high14 Ų1452 Ų529%0.09127%0.265CS..THydrogen-bonded Turntrans-62.9-14-173.322-35.6000116.9K56 H87K56-P153 PolarHBondContact NZ-O 2.69Å; H87-P153 HydrophobicContact CB-CB 3.95Å
154N91.6Very high96.7Very high86 Ų8651.9 Ų51.946%0.4628%0.275SS..THydrogen-bonded Turntrans-163.9-4.8-173.757.210.7000116.2H152 I160H152-N154 PolarHBondContact CE1-OD1 3.21Å; H152-N154 PolarHBondContact ND1-OD1 3.28Å; H152-N154 PolarHBondContact O-N 3.28Å; N154-I160 WeakPolarHBondContact O-CG1 3.43Å
155Q94.1Very high96.8Very high137 Ų13745.4 Ų45.464%0.6425%0.246SC*.THydrogen-bonded Turntrans-106.6-10.5179.6-64.3-62.7-2100111.8H152 P157H152-Q155 HydrophobicContact CB-CB 4.33Å; H152-Q155 WeakPolarHBondContact ND1-CB 3.49Å; H152-Q155 WeakPolarHBondContact ND1-CG 3.42Å; H152-Q155 PolarHBondContact ND1-N 3.38Å; H152-Q155 VanDerWaalsContact ND1-N 3.17Å; Q155-P157 WeakPolarHBondContact O-CD 3.43Å
156E95.9Very high96.8Very high66 Ų6644.6 Ų44.631%0.30824%0.244SC..SBendtrans-74.9118.8177.5-172.462.5-114.800109.2H152 A158 V159 I160H152-E156 HydrophobicContact CB-CB 4.21Å; E156-A158 HydrophobicContact CG-CB 4.47Å; E156-A158 PolarHBondContact O-N 2.88Å; E156-V159 HydrophobicContact CB-CB 3.91Å; E156-V159 HydrophobicContact CB-CG2 3.66Å; E156-V159 HydrophobicContact CG-CG2 3.96Å; E156-V159 WeakPolarHBondContact O-CA 3.47Å; E156-V159 WeakPolarHBondContact O-CB 3.48Å; E156-V159 PolarHBondContact O-N 3.43Å; E156-I160 WeakPolarHBondContact O-CG1 3.19Å; E156-I160 PolarHBondContact O-N 3.29Å
157P97.9Very high96.8Very high49 Ų4945.7 Ų45.732%0.31825%0.249SC..Hα-helixtrans-51.8-42-178.4-31.238.4000113.4C6 I7 Q155 V159 I160 A161C6-P157 HydrophobicContact CB-CG 4.33Å; I7-P157 HydrophobicContact CG2-CB 3.67Å; I7-P157 WeakPolarHBondContact CG2-O 3.29Å; Q155-P157 WeakPolarHBondContact O-CD 3.43Å; P157-V159 VanDerWaalsContact C-N 3.32Å; P157-V159 PolarHBondContact O-N 3.41Å; P157-I160 PolarHBondContact O-N 3.23Å; P157-A161 WeakPolarHBondContact O-CB 3.43Å; P157-A161 PolarHBondContact O-N 2.91Å
158A98.3Very high96.8Very high30 Ų3041.4 Ų41.425%0.24823%0.231CC..Hα-helixtrans-63.4-36.6176.200000112.5N62 A63 E156 G162N62-A158 PolarHBondContact ND2-O 3.43Å; A63-A158 HydrophobicContact CB-CB 4.01Å; E156-A158 HydrophobicContact CG-CB 4.47Å; E156-A158 PolarHBondContact O-N 2.88Å; A158-G162 PolarHBondContact O-N 3.47Å
159V98.4Very high96.9Very high1 Ų143.2 Ų43.21%0.00624%0.239CC..Hα-helixtrans-65.6-46.9174.2175.30000109.9G59 A63 V151 E156 P157 G162 Q163G59-V159 WeakPolarHBondContact CA-O 3.49Å; A63-V159 HydrophobicContact CB-CG2 3.72Å; V151-V159 HydrophobicContact CG1-CG2 3.76Å; E156-V159 HydrophobicContact CB-CB 3.91Å; E156-V159 HydrophobicContact CB-CG2 3.66Å; E156-V159 HydrophobicContact CG-CG2 3.96Å; E156-V159 WeakPolarHBondContact O-CA 3.47Å; E156-V159 WeakPolarHBondContact O-CB 3.48Å; E156-V159 PolarHBondContact O-N 3.43Å; P157-V159 VanDerWaalsContact C-N 3.32Å; P157-V159 PolarHBondContact O-N 3.41Å; V159-G162 PolarHBondContact O-N 3.3Å; V159-Q163 HydrophobicContact CG1-CG 4.41Å; V159-Q163 WeakPolarHBondContact O-CG 3.18Å; V159-Q163 PolarHBondContact O-N 2.99Å
160I98.5Very high96.9Very high50 Ų5041.8 Ų41.826%0.25623%0.233SC..Hα-helixtrans-59.4-48.9179.7-56.4168.3000110.2I7 N154 E156 P157 G162 Q163 G164I7-I160 HydrophobicContact CD1-CB 4.05Å; I7-I160 HydrophobicContact CD1-CG2 3.42Å; I7-I160 VanDerWaalsContact CD1-CG2 3.42Å; I7-I160 HydrophobicContact CG1-CG2 4.15Å; N154-I160 WeakPolarHBondContact O-CG1 3.43Å; E156-I160 WeakPolarHBondContact O-CG1 3.19Å; E156-I160 PolarHBondContact O-N 3.29Å; P157-I160 PolarHBondContact O-N 3.23Å; I160-G162 VanDerWaalsContact C-N 3.33Å; I160-G162 PolarHBondContact O-N 3.01Å; I160-Q163 PolarHBondContact O-N 3.48Å; I160-Q163 VanDerWaalsContact O-N 3.09Å; I160-G164 PolarHBondContact O-N 3.43Å; I160-G164 VanDerWaalsContact O-N 3.07Å
161A98.7Very high96.9Very high3 Ų341.8 Ų41.83%0.02523%0.234CC..Hα-helixtrans-58.6-43.7178.500000112I7 D11 A15 P157 Q163 G164I7-A161 HydrophobicContact CD1-CB 4.39Å; I7-A161 HydrophobicContact CG2-CB 4.34Å; D11-A161 HydrophobicContact CB-CB 4.06Å; A15-A161 HydrophobicContact CB-CB 4.2Å; P157-A161 WeakPolarHBondContact O-CB 3.43Å; P157-A161 PolarHBondContact O-N 2.91Å; A161-Q163 VanDerWaalsContact C-N 3.33Å; A161-Q163 PolarHBondContact O-N 3.34Å; A161-G164 PolarHBondContact O-N 2.95Å; A161-G164 VanDerWaalsContact O-N 3.11Å
162G98.7Very high96.9Very high0 Ų044.5 Ų44.50%025%0.248CC..Hα-helixtrans-63-37175.500000112.9R58 A158 V159 I160 G164 T165R58-G162 VanDerWaalsContact CB-O 3.22Å; R58-G162 WeakPolarHBondContact CB-O 3.4Å; A158-G162 PolarHBondContact O-N 3.47Å; V159-G162 PolarHBondContact O-N 3.3Å; I160-G162 VanDerWaalsContact C-N 3.33Å; I160-G162 PolarHBondContact O-N 3.01Å; G162-G164 VanDerWaalsContact C-N 3.26Å; G162-G164 PolarHBondContact O-N 3.41Å; G162-T165 WeakPolarHBondContact O-CB 3.32Å; G162-T165 WeakPolarHBondContact O-CG2 3.44Å; G162-T165 PolarHBondContact O-N 2.88Å; G162-T165 PolarHBondContact O-OG1 3.33Å
163Q98.6Very high97Very high28 Ų2844.5 Ų44.513%0.13125%0.252CS..Hα-helixtrans-68.8-27.2175.2-45.7-36.3-0.200112.6F55 V159 I160 A161 T165 I166F55-Q163 HydrophobicContact CD2-CB 4.32Å; F55-Q163 HydrophobicContact CD2-CG 4.15Å; F55-Q163 HydrophobicContact CE2-CB 4.4Å; F55-Q163 HydrophobicContact CE2-CG 4.01Å; F55-Q163 PolarHBondContact O-OE1 3.37Å; V159-Q163 HydrophobicContact CG1-CG 4.41Å; V159-Q163 WeakPolarHBondContact O-CG 3.18Å; V159-Q163 PolarHBondContact O-N 2.99Å; I160-Q163 PolarHBondContact O-N 3.48Å; I160-Q163 VanDerWaalsContact O-N 3.09Å; A161-Q163 VanDerWaalsContact C-N 3.33Å; A161-Q163 PolarHBondContact O-N 3.34Å; Q163-T165 PolarHBondContact O-N 3.17Å; Q163-T165 VanDerWaalsContact O-N 3.11Å; Q163-I166 WeakPolarHBondContact O-CD1 3.43Å; Q163-I166 VanDerWaalsContact O-CG1 3.24Å; Q163-I166 WeakPolarHBondContact O-CG1 3.3Å; Q163-I166 PolarHBondContact O-N 3.3Å
164G98.5Very high97.4Very high40 Ų4046.8 Ų46.841%0.41226%0.264SS..THydrogen-bonded Turntrans-63-11.4174.200000114.4V12 I160 A161 G162 I166V12-G164 WeakPolarHBondContact CG1-O 3.11Å; I160-G164 PolarHBondContact O-N 3.43Å; I160-G164 VanDerWaalsContact O-N 3.07Å; A161-G164 PolarHBondContact O-N 2.95Å; A161-G164 VanDerWaalsContact O-N 3.11Å; G162-G164 VanDerWaalsContact C-N 3.26Å; G162-G164 PolarHBondContact O-N 3.41Å; G164-I166 VanDerWaalsContact C-N 3.27Å; G164-I166 PolarHBondContact O-N 3.44Å
165T98.7Very high97.9Very high16 Ų1643.6 Ų43.610%0.09825%0.248CC..THydrogen-bonded Turntrans-82.11.7178.9700000114.5V12 A15 H16 I19 R58 G162 Q163V12-T165 HydrophobicContact CG1-CG2 4.1Å; A15-T165 HydrophobicContact CB-CG2 4.03Å; H16-T165 HydrophobicContact CB-CG2 4.01Å; I19-T165 HydrophobicContact CD1-CG2 4.1Å; R58-T165 WeakPolarHBondContact CD-OG1 3.43Å; R58-T165 PolarHBondContact NH1-O 3.08Å; R58-T165 PolarHBondContact NH1-OG1 3.24Å; G162-T165 WeakPolarHBondContact O-CB 3.32Å; G162-T165 WeakPolarHBondContact O-CG2 3.44Å; G162-T165 PolarHBondContact O-N 2.88Å; G162-T165 PolarHBondContact O-OG1 3.33Å; Q163-T165 PolarHBondContact O-N 3.17Å; Q163-T165 VanDerWaalsContact O-N 3.11Å
166I98.1Very high98.2Very high103 Ų10335.1 Ų35.153%0.52821%0.212SC..  trans-64.80172.4-66.4169000109.2K45 E47 F55 Q163 G164K45-I166 WeakPolarHBondContact CE-O 3.19Å; K45-I166 HydrophobicContact CG-CG2 3.57Å; E47-I166 HydrophobicContact CG-CD1 4.39Å; E47-I166 HydrophobicContact CG-CG1 4.19Å; E47-I166 HydrophobicContact CG-CG2 4.25Å; F55-I166 HydrophobicContact CB-CD1 3.72Å; F55-I166 HydrophobicContact CB-CG1 4.26Å; F55-I166 HydrophobicContact CD2-CD1 4Å; F55-I166 HydrophobicContact CG-CD1 3.97Å; Q163-I166 WeakPolarHBondContact O-CD1 3.43Å; Q163-I166 VanDerWaalsContact O-CG1 3.24Å; Q163-I166 WeakPolarHBondContact O-CG1 3.3Å; Q163-I166 PolarHBondContact O-N 3.3Å; G164-I166 VanDerWaalsContact C-N 3.27Å; G164-I166 PolarHBondContact O-N 3.44Å

Retrieved 166 of 166 residues in 38.4 ms (Link to these results)

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