A0A087WXR6_HUMAN Loading...

Copine 3

AlphaFold DB , UniProt , Accession A0A087WXR6, Species HUMAN (Homo sapiens, Human), Gene CPNE3, Length 139 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
1M42.6Very low73.1Confident244 Ų24477.2 Ų77.2100%1.20245%0.452SS*.  0110.20-73.4167.8-176.900106.1A3M1-A3 PolarHBondContact O-N 3.44Å
2A45.3Very low75Confident88 Ų8874 Ų7473%0.72743%0.432SS*.  trans-63.2123.7177.900000107.8Q4A2-Q4 PolarHBondContact O-N 3.16Å
3A49.9Very low76.6Confident87 Ų8768.6 Ų68.672%0.71940%0.401SS*.  trans-65101.917000000106.5M1 C5M1-A3 PolarHBondContact O-N 3.44Å; A3-C5 PolarHBondContact O-N 2.98Å
4Q59.6Low78Confident125 Ų12565.9 Ų65.958%0.58439%0.388SS*.  trans-62.7108.7167.8-77.5179.3-12.700106.2A2 V6A2-Q4 PolarHBondContact O-N 3.16Å; Q4-V6 HydrophobicContact CB-CG2 4.26Å; Q4-V6 PolarHBondContact O-N 3.27Å
5C63.9Low79.1Confident80 Ų8062 Ų6254%0.54137%0.365SS..  trans-66.689.8167.7-66.60000107.1A3 F69A3-C5 PolarHBondContact O-N 2.98Å; C5-F69 HydrophobicContact CB-CD1 3.69Å; C5-F69 HydrophobicContact CB-CE1 3.75Å
6V81.8Confident80Confident59 Ų5959.9 Ų59.936%0.35836%0.357SS..EExtended strand (participates in β ladder)trans-92.5121.6172.11600000107.9Q4 D66 Y67 Y68Q4-V6 HydrophobicContact CB-CG2 4.26Å; Q4-V6 PolarHBondContact O-N 3.27Å; V6-D66 HydrophobicContact CG1-CB 3.95Å; V6-Y67 WeakPolarHBondContact CA-O 3.19Å; V6-Y68 HydrophobicContact CG2-CD1 3.39Å; V6-Y68 HydrophobicContact CG2-CE1 3.1Å; V6-Y68 HydrophobicContact CG2-CE2 4.45Å; V6-Y68 HydrophobicContact CG2-CG 4.18Å
7T88Confident80.7Confident42 Ų4261.9 Ų61.926%0.25837%0.365SS..EExtended strand (participates in β ladder)trans-110.9132.2171.2-62.10000108.4V9 Y67 E134T7-V9 HydrophobicContact CG2-CG2 4.29Å; T7-Y67 PolarHBondContact N-O 2.87Å; T7-Y67 VanDerWaalsContact N-O 3.08Å; T7-Y67 WeakPolarHBondContact O-CB 3.43Å; T7-Y67 PolarHBondContact O-N 2.92Å; T7-E134 HydrophobicContact CG2-CG 3.47Å; T7-E134 VanDerWaalsContact CG2-CG 3.47Å; T7-E134 WeakPolarHBondContact CG2-OE2 3.16Å
8K91.2Very high81.2Confident109 Ų10958.8 Ų58.847%0.47435%0.347SS..EExtended strand (participates in β ladder)trans-81.8128.8172.1-73.3-167.9176.1-161.90110.1D66 I135K8-D66 VanDerWaalsContact CE-OD1 3.29Å; K8-D66 WeakPolarHBondContact CE-OD1 3.41Å; K8-D66 WeakPolarHBondContact CG-OD1 3.13Å; K8-I135 HydrophobicContact CB-CB 4.01Å; K8-I135 HydrophobicContact CB-CD1 4.33Å; K8-I135 PolarHBondContact O-N 3.39Å
9V92.6Very high81.3Confident4 Ų458.8 Ų58.82%0.02435%0.345CS..EExtended strand (participates in β ladder)trans-121.7130-180-174.90000109T7 L11 I64 I65 V106 A132 E133T7-V9 HydrophobicContact CG2-CG2 4.29Å; V9-L11 HydrophobicContact CG1-CD2 3.75Å; V9-I64 WeakPolarHBondContact O-CA 3.15Å; V9-I65 PolarHBondContact N-O 2.75Å; V9-I65 PolarHBondContact O-N 2.96Å; V9-V106 HydrophobicContact CG1-CG2 4.07Å; V9-V106 HydrophobicContact CG2-CG2 3.93Å; V9-A132 HydrophobicContact CG1-CB 3.63Å; V9-E133 CarbonylContact C-O 3.59Å; V9-E133 WeakPolarHBondContact CA-O 3.46Å
10A94.4Very high81.1Confident11 Ų1159.5 Ų59.59%0.09135%0.347CS..EExtended strand (participates in β ladder)trans-89.6123169.700000108.8T62 F63 A132 E133 I135A10-T62 HydrophobicContact CB-CG2 3.36Å; A10-F63 CarbonylContact C-O 3.6Å; A10-F63 WeakPolarHBondContact CA-O 3.46Å; A10-A132 CarbonylContact O-C 3.59Å; A10-A132 WeakPolarHBondContact O-CA 3.17Å; A10-E133 HydrophobicContact CB-CB 4.37Å; A10-E133 PolarHBondContact N-O 2.8Å; A10-E133 PolarHBondContact O-N 3.24Å; A10-I135 HydrophobicContact CB-CD1 3.87Å; A10-I135 HydrophobicContact CB-CG1 3.82Å
11L94.8Very high80.5Confident0 Ų060.4 Ų60.40%035%0.347CS..EExtended strand (participates in β ladder)trans-108.1120.9176.8-52.2176.3000110.2V9 L33 T62 F63 I65 L75 F77 L102 I105 I130 S131 A132V9-L11 HydrophobicContact CG1-CD2 3.75Å; L11-L33 HydrophobicContact CD1-CD2 4.44Å; L11-T62 WeakPolarHBondContact O-CA 3.41Å; L11-T62 WeakPolarHBondContact O-CG2 3.41Å; L11-F63 HydrophobicContact CB-CB 4.21Å; L11-F63 PolarHBondContact N-O 3.46Å; L11-F63 PolarHBondContact O-N 2.75Å; L11-I65 HydrophobicContact CD1-CD1 4.05Å; L11-L75 HydrophobicContact CD1-CD1 3.74Å; L11-F77 HydrophobicContact CD1-CZ 4.31Å; L11-L102 HydrophobicContact CD1-CD1 4.13Å; L11-L102 HydrophobicContact CD2-CD1 4.03Å; L11-I105 HydrophobicContact CD2-CD1 4.48Å; L11-I105 HydrophobicContact CD2-CG2 4.2Å; L11-I130 HydrophobicContact CB-CG2 4.29Å; L11-S131 CarbonylContact C-O 3.47Å; L11-S131 VanDerWaalsContact CA-O 3.26Å; L11-S131 WeakPolarHBondContact CA-O 3.45Å; L11-A132 HydrophobicContact CD2-CB 3.71Å
12N95.6Very high81.5Confident39 Ų3950.9 Ų50.921%0.20930%0.301CS..EExtended strand (participates in β ladder)trans-102.2140.6172.2-65.784.5000109.9T62 I130 S131N12-T62 PolarHBondContact ND2-OG1 3.49Å; N12-I130 CarbonylContact O-C 3.56Å; N12-I130 VanDerWaalsContact O-CA 3.29Å; N12-I130 WeakPolarHBondContact O-CA 3.24Å; N12-S131 PolarHBondContact N-O 2.67Å; N12-S131 PolarHBondContact O-N 2.7Å
13V96.3Very high82.1Confident4 Ų455.4 Ų55.42%0.02431%0.311CS..EExtended strand (participates in β ladder)trans-123.1139-176.5-1770000110C31 F59 F63 F77 I128 T129 I130V13-C31 HydrophobicContact CG1-CB 4.46Å; V13-F59 HydrophobicContact CB-CD2 4.17Å; V13-F59 HydrophobicContact CG1-CD2 4.06Å; V13-F59 HydrophobicContact CG1-CE2 4.37Å; V13-F59 WeakPolarHBondContact O-CB 3.15Å; V13-F59 WeakPolarHBondContact O-CD2 3.16Å; V13-F59 PolarHBondContact O-N 2.96Å; V13-F59 VanDerWaalsContact O-N 3.15Å; V13-F63 HydrophobicContact CB-CE2 4.45Å; V13-F63 HydrophobicContact CG2-CD2 3.96Å; V13-F63 HydrophobicContact CG2-CE2 3.68Å; V13-F77 HydrophobicContact CG2-CD1 3.82Å; V13-F77 HydrophobicContact CG2-CE1 3.6Å; V13-I128 HydrophobicContact CG1-CD1 3.64Å; V13-I128 HydrophobicContact CG1-CG1 3.74Å; V13-T129 WeakPolarHBondContact CA-O 3.18Å; V13-I130 HydrophobicContact CG2-CG1 4.3Å; V13-I130 HydrophobicContact CG2-CG2 4.33Å
14S95.9Very high82.6Confident31 Ų3155.4 Ų55.422%0.21732%0.319CS..EExtended strand (participates in β ladder)trans-142.1151.2169.853.10000109.5P57 I128 T129S14-P57 CarbonylContact C-O 3.57Å; S14-P57 VanDerWaalsContact CA-O 3.3Å; S14-P57 WeakPolarHBondContact CA-O 3.36Å; S14-I128 CarbonylContact O-C 3.54Å; S14-I128 WeakPolarHBondContact O-CA 3.26Å; S14-T129 PolarHBondContact N-O 3.04Å; S14-T129 PolarHBondContact O-N 3.38Å; S14-T129 PolarHBondContact OG-O 3.16Å
15C94.9Very high83.1Confident7 Ų752.4 Ų52.45%0.04731%0.312CS..EExtended strand (participates in β ladder)trans-121.4159.1173.6-53.70000110.8L18 N56 P57 S127C15-L18 HydrophobicContact CB-CD1 4.01Å; C15-L18 HydrophobicContact CB-CD2 3.66Å; C15-L18 HydrophobicContact CB-CG 3.88Å; C15-N56 CarbonylContact O-C 3.41Å; C15-N56 VanDerWaalsContact O-C 3.25Å; C15-N56 VanDerWaalsContact O-CA 3.22Å; C15-N56 WeakPolarHBondContact O-CA 3.12Å; C15-P57 HydrophobicContact CB-CG 3.71Å; C15-P57 PolarHBondContact N-O 2.94Å; C15-S127 CarbonylContact C-O 3.48Å; C15-S127 WeakPolarHBondContact CA-O 3.32Å; C15-S127 WeakPolarHBondContact CB-O 3.1Å
16A94.1Very high83.8Confident29 Ų2953.3 Ų53.324%0.2431%0.307CS..EExtended strand (participates in β ladder)trans-140.2144.4175.600000110.8L18 N56 G126 S127A16-L18 VanDerWaalsContact C-N 3.28Å; A16-L18 PolarHBondContact O-N 3.26Å; A16-N56 VanDerWaalsContact CA-OD1 3.28Å; A16-N56 WeakPolarHBondContact CA-OD1 3.37Å; A16-G126 CarbonylContact O-C 3.54Å; A16-G126 WeakPolarHBondContact O-CA 3Å; A16-S127 PolarHBondContact N-O 2.91Å; A16-S127 PolarHBondContact O-N 3.35Å
17N91.1Very high83.8Confident93 Ų9350.5 Ų50.550%0.49729%0.29SS..SBendtrans52.941.9178.4-54.4-56.1000113.5L55 N56 K125 G126N17-L55 PolarHBondContact N-O 3.09Å; N17-N56 PolarHBondContact N-OD1 2.82Å; N17-K125 HydrophobicContact CB-CB 4.15Å; N17-K125 WeakPolarHBondContact CB-O 3.48Å; N17-K125 CarbonylContact O-C 3.25Å; N17-G126 WeakPolarHBondContact O-CA 3.18Å; N17-G126 PolarHBondContact O-N 3.39Å; N17-G126 VanDerWaalsContact O-N 3.09Å
18L89.1Confident83.7Confident6 Ų649.4 Ų49.43%0.03128%0.282CS..  trans-55.1150.4175.3-66.6-178000111.1C15 A16 D20 P29 L55 P57 V79 L95 L115C15-L18 HydrophobicContact CB-CD1 4.01Å; C15-L18 HydrophobicContact CB-CD2 3.66Å; C15-L18 HydrophobicContact CB-CG 3.88Å; A16-L18 VanDerWaalsContact C-N 3.28Å; A16-L18 PolarHBondContact O-N 3.26Å; L18-D20 PolarHBondContact O-N 2.94Å; L18-P29 HydrophobicContact CD1-CB 3.46Å; L18-P29 VanDerWaalsContact CD1-CB 3.46Å; L18-P29 HydrophobicContact CD1-CG 3.76Å; L18-L55 HydrophobicContact CB-CD2 4.43Å; L18-L55 PolarHBondContact N-O 2.93Å; L18-P57 HydrophobicContact CD1-CG 3.68Å; L18-V79 HydrophobicContact CD1-CG1 4.13Å; L18-V79 HydrophobicContact CD2-CG1 4.29Å; L18-L95 HydrophobicContact CD1-CD1 4.16Å; L18-L115 HydrophobicContact CD2-CD1 3.31Å
19L83.4Confident83.7Confident59 Ų5944.2 Ų44.231%0.30926%0.26SS..  trans-65.4123.7176.8-173.976.8000108.5K21 S27 L95 M117L19-K21 HydrophobicContact CD2-CD 4.38Å; L19-K21 HydrophobicContact CD2-CG 3.82Å; L19-K21 HydrophobicContact CG-CG 4.26Å; L19-K21 PolarHBondContact O-N 3.42Å; L19-S27 PolarHBondContact O-OG 3.28Å; L19-L95 HydrophobicContact CB-CD2 4.43Å; L19-L95 VanDerWaalsContact O-CD2 3.31Å; L19-L95 WeakPolarHBondContact O-CD2 3.22Å; L19-M117 HydrophobicContact CD2-CE 3.84Å
20D77.4Confident83.7Confident73 Ų7345.1 Ų45.139%0.3926%0.264SS..  trans-84.7109.6172.8-159.8-1.5000108.2L18 L55L18-D20 PolarHBondContact O-N 2.94Å; D20-L55 HydrophobicContact CB-CD1 4.12Å; D20-L55 HydrophobicContact CB-CD2 3.96Å
21K68.9Low83.7Confident78 Ų7844.6 Ų44.634%0.33926%0.26SS..  trans-95.6-13.3178-78.3-169.7170176.40113L19 D93 F94 L95L19-K21 HydrophobicContact CD2-CD 4.38Å; L19-K21 HydrophobicContact CD2-CG 3.82Å; L19-K21 HydrophobicContact CG-CG 4.26Å; L19-K21 PolarHBondContact O-N 3.42Å; K21-D93 HydrophobicContact CD-CB 3.92Å; K21-D93 WeakPolarHBondContact CD-OD1 3.49Å; K21-D93 WeakPolarHBondContact CD-OD2 3.28Å; K21-D93 IonicContact NZ-OD1 3.04Å; K21-D93 PolarHBondContact NZ-OD1 3.18Å; K21-F94 PolarHBondContact NZ-O 3.33Å; K21-L95 HydrophobicContact CD-CD2 4.43Å; K21-L95 HydrophobicContact CG-CD2 4.47Å
22D64Low83.7Confident44 Ų4444.6 Ų44.624%0.23526%0.26CS..  trans-82.8135.2-177.3-87.4-18.3000112.6G24 S25D22-G24 PolarHBondContact O-N 3.32Å; D22-S25 WeakPolarHBondContact CB-O 3.5Å; D22-S25 WeakPolarHBondContact CB-OG 3.44Å; D22-S25 VanDerWaalsContact CG-OG 3.24Å; D22-S25 PolarHBondContact OD2-OG 3.32Å
23I57.1Low83.7Confident184 Ų18442.7 Ų42.794%0.94425%0.25SC*.SBendtrans-92.880.3171.6-54.2173.9000108
24G59.8Low83.6Confident86 Ų8644 Ų4489%0.88726%0.256SS*.SBendtrans124.2-9.7171.500000116.2D22D22-G24 PolarHBondContact O-N 3.32Å
25S70Confident83.5Confident63 Ų6343.1 Ų43.144%0.44125%0.248SC..SBendtrans-122.3172.5165.539.60000109.6D22D22-S25 WeakPolarHBondContact CB-O 3.5Å; D22-S25 WeakPolarHBondContact CB-OG 3.44Å; D22-S25 VanDerWaalsContact CG-OG 3.24Å; D22-S25 PolarHBondContact OD2-OG 3.32Å
26K78.4Confident83.4Confident98 Ų9843.3 Ų43.343%0.42625%0.248SC..  trans-99.9157.1164.4-53171.9-172.4168.40108.5N53 L55K26-N53 WeakPolarHBondContact CB-OD1 3.41Å; K26-N53 WeakPolarHBondContact CD-OD1 3.44Å; K26-N53 WeakPolarHBondContact CG-OD1 3.36Å; K26-N53 PolarHBondContact N-OD1 3.04Å; K26-L55 HydrophobicContact CB-CD2 4.16Å; K26-L55 HydrophobicContact CB-CG 4.13Å; K26-L55 HydrophobicContact CD-CD1 4.47Å; K26-L55 HydrophobicContact CD-CG 4.19Å; K26-L55 HydrophobicContact CG-CD1 4.47Å; K26-L55 HydrophobicContact CG-CG 4.31Å
27S82.7Confident82.9Confident0 Ų044.6 Ų44.60%025%0.253CS..  trans-48.6147.1171.1-58.90000115.1L19 P29 N53 C54 D81L19-S27 PolarHBondContact O-OG 3.28Å; S27-P29 WeakPolarHBondContact O-CD 3.45Å; S27-N53 WeakPolarHBondContact O-CA 3.39Å; S27-N53 PolarHBondContact O-N 3.37Å; S27-C54 PolarHBondContact O-N 2.89Å; S27-D81 WeakPolarHBondContact CA-OD1 2.91Å; S27-D81 VanDerWaalsContact CA-OD2 3.32Å; S27-D81 WeakPolarHBondContact CA-OD2 3.44Å; S27-D81 VanDerWaalsContact CB-CG 3.42Å; S27-D81 VanDerWaalsContact CB-OD1 3.25Å; S27-D81 WeakPolarHBondContact CB-OD1 3.43Å; S27-D81 WeakPolarHBondContact CB-OD2 3.42Å; S27-D81 PolarHBondContact OG-OD2 2.75Å
28D86.9Confident82.3Confident20 Ų2044.2 Ų44.211%0.10726%0.258CS..  trans-107.469.7172.1-77.99.2000111R50 I51 K52 N53 D81 I82D28-R50 HydrophobicContact CB-CG 4.02Å; D28-R50 IonicContact OD2-CZ 3.38Å; D28-R50 IonicContact OD2-NE 3.17Å; D28-R50 PolarHBondContact OD2-NE 2.81Å; D28-R50 IonicContact OD2-NH2 2.75Å; D28-R50 PolarHBondContact OD2-NH2 2.84Å; D28-I51 CarbonylContact C-O 3.51Å; D28-I51 VanDerWaalsContact CA-O 3.23Å; D28-I51 WeakPolarHBondContact CA-O 3.32Å; D28-K52 WeakPolarHBondContact OD1-CA 3.41Å; D28-K52 WeakPolarHBondContact OD2-CG 3.29Å; D28-N53 PolarHBondContact OD1-N 2.9Å; D28-D81 PolarHBondContact N-OD1 2.9Å; D28-I82 PolarHBondContact O-N 3.23Å; D28-I82 VanDerWaalsContact O-N 3.16Å
29P90.5Very high81.4Confident0 Ų046.6 Ų46.60%028%0.284CS..EExtended strand (participates in β ladder)trans-67.7144.1-170.328.3-40.4000114.3L18 S27 I51 C54 P57 F59 V79 Y80 L95L18-P29 HydrophobicContact CD1-CB 3.46Å; L18-P29 VanDerWaalsContact CD1-CB 3.46Å; L18-P29 HydrophobicContact CD1-CG 3.76Å; S27-P29 WeakPolarHBondContact O-CD 3.45Å; P29-I51 WeakPolarHBondContact CD-O 3.22Å; P29-I51 PolarHBondContact O-N 3.02Å; P29-C54 VanDerWaalsContact CD-O 3.26Å; P29-C54 WeakPolarHBondContact CD-O 3.31Å; P29-C54 WeakPolarHBondContact CG-O 3.28Å; P29-P57 HydrophobicContact CB-CB 4.44Å; P29-P57 HydrophobicContact CB-CG 3.95Å; P29-P57 HydrophobicContact CG-CB 3.62Å; P29-P57 HydrophobicContact CG-CG 3.47Å; P29-P57 VanDerWaalsContact CG-CG 3.47Å; P29-F59 HydrophobicContact CB-CZ 4.41Å; P29-V79 HydrophobicContact CB-CG1 4.13Å; P29-Y80 CarbonylContact C-O 3.59Å; P29-Y80 VanDerWaalsContact CA-O 3.32Å; P29-Y80 WeakPolarHBondContact CA-O 3.1Å; P29-L95 HydrophobicContact CB-CD1 4.21Å
30L92.5Very high81.1Confident22 Ų2252.1 Ų52.112%0.11531%0.308CS..EExtended strand (participates in β ladder)trans-133.2139.1169177.5149.5000109.5V32 R47 T48 R50 V79 Y80 I82L30-V32 HydrophobicContact CD2-CG2 3.54Å; L30-R47 HydrophobicContact CD2-CB 4.22Å; L30-T48 WeakPolarHBondContact CD1-O 3.34Å; L30-R50 HydrophobicContact CD1-CB 4.41Å; L30-V79 WeakPolarHBondContact O-CA 3.41Å; L30-Y80 PolarHBondContact N-O 2.83Å; L30-Y80 PolarHBondContact O-N 2.88Å; L30-I82 HydrophobicContact CB-CD1 4.2Å; L30-I82 HydrophobicContact CB-CG1 3.73Å; L30-I82 HydrophobicContact CD1-CG1 4.35Å
31C94.3Very high81.6Confident0 Ų055.1 Ų55.10%032%0.32CS..EExtended strand (participates in β ladder)trans-105.6134176.9-177.90000111.2V13 R47 T48 F59 G78V13-C31 HydrophobicContact CG1-CB 4.46Å; C31-R47 CarbonylContact O-C 3.39Å; C31-R47 WeakPolarHBondContact O-CA 3.41Å; C31-T48 HydrophobicContact CB-CG2 3.85Å; C31-T48 PolarHBondContact N-OG1 2.76Å; C31-T48 PolarHBondContact O-N 3.08Å; C31-T48 PolarHBondContact O-OG1 2.77Å; C31-F59 HydrophobicContact CB-CD2 4.15Å; C31-F59 HydrophobicContact CB-CE2 3.69Å; C31-F59 HydrophobicContact CB-CZ 3.91Å; C31-G78 CarbonylContact C-O 3.58Å; C31-G78 WeakPolarHBondContact CA-O 3.49Å
32V94.3Very high82.6Confident0 Ų055.5 Ų55.50%032%0.319CS..EExtended strand (participates in β ladder)trans-113.6130.2175.7-1740000109.1L30 F34 E44 R47 F77 G78 Y80L30-V32 HydrophobicContact CD2-CG2 3.54Å; V32-F34 HydrophobicContact CB-CE2 3.79Å; V32-F34 HydrophobicContact CB-CZ 4.08Å; V32-F34 HydrophobicContact CG1-CD2 4.15Å; V32-F34 HydrophobicContact CG1-CE1 4.01Å; V32-F34 HydrophobicContact CG1-CE2 3.48Å; V32-F34 VanDerWaalsContact CG1-CE2 3.48Å; V32-F34 HydrophobicContact CG1-CZ 3.39Å; V32-E44 HydrophobicContact CG1-CG 3.63Å; V32-R47 HydrophobicContact CB-CG 4.44Å; V32-R47 HydrophobicContact CG1-CG 4.07Å; V32-R47 HydrophobicContact CG2-CG 3.98Å; V32-F77 CarbonylContact O-C 3.55Å; V32-F77 WeakPolarHBondContact O-CA 3.46Å; V32-G78 PolarHBondContact N-O 2.9Å; V32-G78 PolarHBondContact O-N 3.47Å; V32-Y80 HydrophobicContact CB-CE2 4.2Å; V32-Y80 HydrophobicContact CG2-CD2 3.86Å; V32-Y80 HydrophobicContact CG2-CE2 3.85Å
33L95.4Very high83.8Confident0 Ų058.7 Ų58.70%033%0.329CS..EExtended strand (participates in β ladder)trans-99.8124.5175.9-179.552.1000110.5L11 V45 E46 F63 I65 L75 F77L11-L33 HydrophobicContact CD1-CD2 4.44Å; L33-V45 HydrophobicContact CG-CB 4.31Å; L33-V45 HydrophobicContact CG-CG2 4.46Å; L33-V45 PolarHBondContact O-N 2.77Å; L33-E46 PolarHBondContact N-O 3.12Å; L33-F63 HydrophobicContact CB-CD1 4.08Å; L33-F63 HydrophobicContact CB-CD2 4.39Å; L33-F63 HydrophobicContact CB-CE1 3.85Å; L33-F63 HydrophobicContact CB-CE2 4.18Å; L33-F63 HydrophobicContact CB-CG 4.31Å; L33-F63 HydrophobicContact CB-CZ 3.86Å; L33-F63 HydrophobicContact CD2-CB 3.54Å; L33-F63 HydrophobicContact CD2-CD1 3.87Å; L33-F63 HydrophobicContact CD2-CD2 3.77Å; L33-F63 HydrophobicContact CD2-CE1 4.44Å; L33-F63 HydrophobicContact CD2-CE2 4.36Å; L33-F63 HydrophobicContact CD2-CG 3.45Å; L33-F63 VanDerWaalsContact CD2-CG 3.45Å; L33-I65 HydrophobicContact CD2-CD1 3.52Å; L33-I65 HydrophobicContact CD2-CG1 4.49Å; L33-I65 HydrophobicContact CG-CD1 4.38Å; L33-L75 HydrophobicContact CD1-CB 4.14Å; L33-L75 HydrophobicContact CD1-CD2 4.07Å; L33-F77 HydrophobicContact CD1-CD1 3.84Å; L33-F77 HydrophobicContact CD1-CD2 4.36Å; L33-F77 HydrophobicContact CD1-CE1 3.51Å; L33-F77 HydrophobicContact CD1-CE2 4.04Å; L33-F77 HydrophobicContact CD1-CG 4.25Å; L33-F77 HydrophobicContact CD1-CZ 3.61Å; L33-F77 HydrophobicContact CD2-CE1 4.25Å; L33-F77 HydrophobicContact CG-CE1 4.35Å
34F94.9Very high85.6Confident32 Ų3253.7 Ų53.714%0.1430%0.302CS..EExtended strand (participates in β ladder)trans-112.6143.1171.6-55.3-90.3000110.6V32 W42 Y43 E44 L75 K76V32-F34 HydrophobicContact CB-CE2 3.79Å; V32-F34 HydrophobicContact CB-CZ 4.08Å; V32-F34 HydrophobicContact CG1-CD2 4.15Å; V32-F34 HydrophobicContact CG1-CE1 4.01Å; V32-F34 HydrophobicContact CG1-CE2 3.48Å; V32-F34 VanDerWaalsContact CG1-CE2 3.48Å; V32-F34 HydrophobicContact CG1-CZ 3.39Å; F34-W42 HydrophobicContact CB-CB 4.4Å; F34-W42 HydrophobicContact CB-CE3 3.9Å; F34-Y43 CarbonylContact C-O 3.55Å; F34-Y43 WeakPolarHBondContact CA-O 3.45Å; F34-E44 HydrophobicContact CD1-CB 4.02Å; F34-E44 HydrophobicContact CE1-CB 3.88Å; F34-E44 HydrophobicContact CE1-CG 4.24Å; F34-L75 CarbonylContact O-C 3.58Å; F34-L75 WeakPolarHBondContact O-CA 3.41Å; F34-K76 HydrophobicContact CB-CB 4.14Å; F34-K76 HydrophobicContact CD2-CD 4.33Å; F34-K76 HydrophobicContact CD2-CG 4.24Å; F34-K76 PolarHBondContact N-O 3.35Å; F34-K76 PolarHBondContact O-N 2.87Å
35L93.7Very high87.1Confident11 Ų1152.3 Ų52.36%0.05828%0.276CS..EExtended strand (participates in β ladder)trans-121.7142178172.858.2000109.7Y43 V45 Q73 K74 L75L35-Y43 HydrophobicContact CB-CE1 4.16Å; L35-Y43 HydrophobicContact CB-CE2 4.1Å; L35-Y43 HydrophobicContact CD2-CE2 4.3Å; L35-Y43 WeakPolarHBondContact CD2-OH 3.32Å; L35-Y43 HydrophobicContact CG-CE1 4.09Å; L35-Y43 HydrophobicContact CG-CE2 4.41Å; L35-Y43 WeakPolarHBondContact CG-OH 3.22Å; L35-Y43 PolarHBondContact N-O 2.7Å; L35-Y43 WeakPolarHBondContact O-CD1 3.34Å; L35-Y43 VanDerWaalsContact O-CE1 3.28Å; L35-Y43 WeakPolarHBondContact O-CE1 3.36Å; L35-Y43 PolarHBondContact O-N 2.82Å; L35-Y43 VanDerWaalsContact O-N 3.12Å; L35-V45 HydrophobicContact CB-CG2 3.38Å; L35-V45 HydrophobicContact CD2-CG2 4.26Å; L35-V45 HydrophobicContact CG-CG2 4.48Å; L35-Q73 HydrophobicContact CD1-CB 3.9Å; L35-Q73 HydrophobicContact CD1-CG 4.39Å; L35-K74 CarbonylContact C-O 3.59Å; L35-K74 WeakPolarHBondContact CA-O 3.47Å; L35-K74 WeakPolarHBondContact CD1-O 3.37Å; L35-L75 HydrophobicContact CB-CD2 4.14Å; L35-L75 HydrophobicContact CD1-CD2 3.63Å; L35-L75 HydrophobicContact CG-CD2 4.38Å
36N92.5Very high88.2Confident11 Ų1152.6 Ų52.66%0.05927%0.27CS..EExtended strand (participates in β ladder)trans-138.3107.4172.9-176.3-15.2000109.3S38 G39 Q41 W42 K74N36-S38 PolarHBondContact OD1-N 3.01Å; N36-G39 WeakPolarHBondContact OD1-CA 3.37Å; N36-G39 PolarHBondContact OD1-N 2.81Å; N36-Q41 VanDerWaalsContact CG-O 3.29Å; N36-W42 HydrophobicContact CB-CD2 3.72Å; N36-W42 HydrophobicContact CB-CE3 3.49Å; N36-W42 VanDerWaalsContact CB-CE3 3.49Å; N36-W42 HydrophobicContact CB-CG 4.37Å; N36-W42 HydrophobicContact CB-CH2 4.18Å; N36-W42 HydrophobicContact CB-CZ2 4.38Å; N36-W42 HydrophobicContact CB-CZ3 3.72Å; N36-K74 HydrophobicContact CB-CB 4.33Å; N36-K74 PolarHBondContact N-O 2.87Å; N36-K74 WeakPolarHBondContact O-CB 3.29Å; N36-K74 PolarHBondContact O-N 3.09Å
37T83.7Confident89Confident56 Ų5652 Ų5234%0.34427%0.265SS..SBendtrans-102.2-26.7-176-49.70000112.4V71 Q73T37-V71 HydrophobicContact CG2-CG1 3.37Å; T37-Q73 HydrophobicContact CG2-CG 4.15Å
38S78.9Confident89.5Confident86 Ų8652.4 Ų52.460%0.60127%0.268SS*.SBendtrans-109.8-1-173.357.90000114.3N36 Q40N36-S38 PolarHBondContact OD1-N 3.01Å; S38-Q40 PolarHBondContact O-N 2.96Å
39G70.5Confident89.7Confident56 Ų5654.6 Ų54.658%0.57728%0.277SS*.SBendtrans77.9-10.1-178.700000115.1N36N36-G39 WeakPolarHBondContact OD1-CA 3.37Å; N36-G39 PolarHBondContact OD1-N 2.81Å
40Q77.1Confident89.7Confident174 Ų17458.3 Ų58.381%0.81329%0.291SS*.SBendtrans-88.6-35.9-171.5-70.4-177.4-29.100114S38S38-Q40 PolarHBondContact O-N 2.96Å
41Q86.4Confident89.6Confident136 Ų13658.9 Ų58.964%0.63629%0.294SS*.  trans-154.4147.6-176.862.1-173.4-0.200112N36N36-Q41 VanDerWaalsContact CG-O 3.29Å
42W90.5Very high89.2Confident86 Ų8666.1 Ų66.133%0.32633%0.326SS..  trans-86132.2166-66.399.4000108.5F34 N36 K74 K76F34-W42 HydrophobicContact CB-CB 4.4Å; F34-W42 HydrophobicContact CB-CE3 3.9Å; N36-W42 HydrophobicContact CB-CD2 3.72Å; N36-W42 HydrophobicContact CB-CE3 3.49Å; N36-W42 VanDerWaalsContact CB-CE3 3.49Å; N36-W42 HydrophobicContact CB-CG 4.37Å; N36-W42 HydrophobicContact CB-CH2 4.18Å; N36-W42 HydrophobicContact CB-CZ2 4.38Å; N36-W42 HydrophobicContact CB-CZ3 3.72Å; W42-K74 HydrophobicContact CH2-CB 3.75Å; W42-K74 HydrophobicContact CZ3-CB 4.16Å; W42-K74 WeakPolarHBondContact CZ3-O 3.26Å; W42-K76 HydrophobicContact CD2-CB 4.41Å; W42-K76 HydrophobicContact CE3-CB 3.84Å; W42-K76 HydrophobicContact CH2-CB 3.69Å; W42-K76 HydrophobicContact CZ2-CB 4.28Å; W42-K76 HydrophobicContact CZ3-CB 3.46Å; W42-K76 VanDerWaalsContact CZ3-CB 3.46Å
43Y90.4Very high88.7Confident112 Ų11270.5 Ų70.544%0.43935%0.349SS..EExtended strand (participates in β ladder)trans-121144.6169.662.3-87.2000109.8F34 L35 V45F34-Y43 CarbonylContact C-O 3.55Å; F34-Y43 WeakPolarHBondContact CA-O 3.45Å; L35-Y43 HydrophobicContact CB-CE1 4.16Å; L35-Y43 HydrophobicContact CB-CE2 4.1Å; L35-Y43 HydrophobicContact CD2-CE2 4.3Å; L35-Y43 WeakPolarHBondContact CD2-OH 3.32Å; L35-Y43 HydrophobicContact CG-CE1 4.09Å; L35-Y43 HydrophobicContact CG-CE2 4.41Å; L35-Y43 WeakPolarHBondContact CG-OH 3.22Å; L35-Y43 PolarHBondContact N-O 2.7Å; L35-Y43 WeakPolarHBondContact O-CD1 3.34Å; L35-Y43 VanDerWaalsContact O-CE1 3.28Å; L35-Y43 WeakPolarHBondContact O-CE1 3.36Å; L35-Y43 PolarHBondContact O-N 2.82Å; L35-Y43 VanDerWaalsContact O-N 3.12Å; Y43-V45 HydrophobicContact CD2-CG2 4.31Å; Y43-V45 HydrophobicContact CE2-CG2 3.97Å; Y43-V45 PolarHBondContact O-N 2.87Å
44E93.3Very high88.3Confident79 Ų7972.1 Ų72.137%0.36936%0.36SS..EExtended strand (participates in β ladder)trans-69.6124.8174.4-171.4179.9122.100109.2V32 F34 R47V32-E44 HydrophobicContact CG1-CG 3.63Å; F34-E44 HydrophobicContact CD1-CB 4.02Å; F34-E44 HydrophobicContact CE1-CB 3.88Å; F34-E44 HydrophobicContact CE1-CG 4.24Å; E44-R47 WeakPolarHBondContact OE1-CG 3.31Å; E44-R47 IonicContact OE1-CZ 3.1Å; E44-R47 IonicContact OE1-NE 2.87Å; E44-R47 PolarHBondContact OE1-NE 3.04Å; E44-R47 IonicContact OE1-NH2 2.6Å; E44-R47 PolarHBondContact OE1-NH2 2.84Å; E44-R47 IonicContact OE2-CZ 3.23Å; E44-R47 IonicContact OE2-NE 3.28Å; E44-R47 PolarHBondContact OE2-NE 2.95Å; E44-R47 VanDerWaalsContact OE2-NE 3.17Å; E44-R47 IonicContact OE2-NH2 2.77Å; E44-R47 PolarHBondContact OE2-NH2 3.4Å
45V92.5Very high87.9Confident56 Ų5672.2 Ų72.234%0.33936%0.362SS..EExtended strand (participates in β ladder)trans-87-57.4175.2-179.40000108.7L33 L35 Y43L33-V45 HydrophobicContact CG-CB 4.31Å; L33-V45 HydrophobicContact CG-CG2 4.46Å; L33-V45 PolarHBondContact O-N 2.77Å; L35-V45 HydrophobicContact CB-CG2 3.38Å; L35-V45 HydrophobicContact CD2-CG2 4.26Å; L35-V45 HydrophobicContact CG-CG2 4.48Å; Y43-V45 HydrophobicContact CD2-CG2 4.31Å; Y43-V45 HydrophobicContact CE2-CG2 3.97Å; Y43-V45 PolarHBondContact O-N 2.87Å
46E93.3Very high87.9Confident69 Ų6975.6 Ų75.632%0.32238%0.38SS..EExtended strand (participates in β ladder)trans-164.9167.8-175.5-154.3174.6-139.900110.8L33 K61 F63L33-E46 PolarHBondContact N-O 3.12Å; E46-K61 VanDerWaalsContact OE1-CE 3.28Å; E46-K61 WeakPolarHBondContact OE1-CE 3.34Å; E46-K61 IonicContact OE1-NZ 2.72Å; E46-K61 PolarHBondContact OE1-NZ 2.9Å; E46-K61 WeakPolarHBondContact OE2-CE 3.21Å; E46-K61 IonicContact OE2-NZ 3.44Å; E46-K61 PolarHBondContact OE2-NZ 2.88Å; E46-F63 HydrophobicContact CB-CD1 3.81Å; E46-F63 HydrophobicContact CB-CE1 3.84Å; E46-F63 HydrophobicContact CG-CD1 4.49Å; E46-F63 HydrophobicContact CG-CE1 4.48Å
47R93.9Very high87.8Confident85 Ų8575.1 Ų75.132%0.32138%0.377SS..EExtended strand (participates in β ladder)trans-122.2148.9176.9-55-172.5-173.1177.72110.5L30 C31 V32 E44 L89L30-R47 HydrophobicContact CD2-CB 4.22Å; C31-R47 CarbonylContact O-C 3.39Å; C31-R47 WeakPolarHBondContact O-CA 3.41Å; V32-R47 HydrophobicContact CB-CG 4.44Å; V32-R47 HydrophobicContact CG1-CG 4.07Å; V32-R47 HydrophobicContact CG2-CG 3.98Å; E44-R47 WeakPolarHBondContact OE1-CG 3.31Å; E44-R47 IonicContact OE1-CZ 3.1Å; E44-R47 IonicContact OE1-NE 2.87Å; E44-R47 PolarHBondContact OE1-NE 3.04Å; E44-R47 IonicContact OE1-NH2 2.6Å; E44-R47 PolarHBondContact OE1-NH2 2.84Å; E44-R47 IonicContact OE2-CZ 3.23Å; E44-R47 IonicContact OE2-NE 3.28Å; E44-R47 PolarHBondContact OE2-NE 2.95Å; E44-R47 VanDerWaalsContact OE2-NE 3.17Å; E44-R47 IonicContact OE2-NH2 2.77Å; E44-R47 PolarHBondContact OE2-NH2 3.4Å; R47-L89 VanDerWaalsContact NH2-CD1 3.26Å
48T94Very high88.3Confident9 Ų979.9 Ų79.96%0.05540%0.396CS..  trans-78.7174.8169.566.20000111.4L30 C31 F59 K61 F63L30-T48 WeakPolarHBondContact CD1-O 3.34Å; C31-T48 HydrophobicContact CB-CG2 3.85Å; C31-T48 PolarHBondContact N-OG1 2.76Å; C31-T48 PolarHBondContact O-N 3.08Å; C31-T48 PolarHBondContact O-OG1 2.77Å; T48-F59 HydrophobicContact CG2-CB 3.8Å; T48-F59 HydrophobicContact CG2-CD1 4.06Å; T48-F59 HydrophobicContact CG2-CD2 4.26Å; T48-F59 HydrophobicContact CG2-CG 3.78Å; T48-F59 WeakPolarHBondContact OG1-CD1 3.44Å; T48-F59 VanDerWaalsContact OG1-CE1 3.28Å; T48-F59 WeakPolarHBondContact OG1-CE1 3.35Å; T48-K61 HydrophobicContact CG2-CB 4.23Å; T48-F63 HydrophobicContact CG2-CE1 4.25Å; T48-F63 HydrophobicContact CG2-CE2 3.79Å; T48-F63 HydrophobicContact CG2-CZ 3.38Å
49E91.9Very high89Confident66 Ų6676.2 Ų76.231%0.30837%0.369SS..PPolyproline II helixtrans-64.4156.1161.973.6-85.1-151.500111.9I51 F59 S60 K61E49-I51 HydrophobicContact CG-CG1 4.21Å; E49-F59 WeakPolarHBondContact O-CD1 3.4Å; E49-F59 WeakPolarHBondContact O-CE1 3.04Å; E49-S60 WeakPolarHBondContact OE1-CA 3.37Å; E49-S60 VanDerWaalsContact OE1-CB 3.24Å; E49-S60 WeakPolarHBondContact OE1-CB 3.29Å; E49-S60 PolarHBondContact OE1-N 3.39Å; E49-S60 PolarHBondContact OE1-OG 2.79Å; E49-K61 WeakPolarHBondContact OE2-CB 3.31Å; E49-K61 PolarHBondContact OE2-N 2.76Å; E49-K61 VanDerWaalsContact OE2-N 3.16Å
50R89.4Confident90.1Very high79 Ų7978.4 Ų78.430%0.29838%0.375SS..PPolyproline II helixtrans-81127166.4170.8-175170.31635.1108.9D28 L30 I82 N84D28-R50 HydrophobicContact CB-CG 4.02Å; D28-R50 IonicContact OD2-CZ 3.38Å; D28-R50 IonicContact OD2-NE 3.17Å; D28-R50 PolarHBondContact OD2-NE 2.81Å; D28-R50 IonicContact OD2-NH2 2.75Å; D28-R50 PolarHBondContact OD2-NH2 2.84Å; L30-R50 HydrophobicContact CD1-CB 4.41Å; R50-I82 HydrophobicContact CG-CB 4.4Å; R50-I82 PolarHBondContact NE-O 2.85Å; R50-I82 PolarHBondContact NH1-O 2.88Å; R50-I82 VanDerWaalsContact NH1-O 3.13Å; R50-I82 PolarHBondContact NH2-O 3.29Å; R50-N84 PolarHBondContact NH1-O 2.77Å
51I89.8Confident90.8Very high34 Ų3473.8 Ų73.817%0.17435%0.353CS..PPolyproline II helixtrans-103.7118.7174.1-59.3-171.5000108.3D28 P29 E49 C54 P57 Q58 F59D28-I51 CarbonylContact C-O 3.51Å; D28-I51 VanDerWaalsContact CA-O 3.23Å; D28-I51 WeakPolarHBondContact CA-O 3.32Å; P29-I51 WeakPolarHBondContact CD-O 3.22Å; P29-I51 PolarHBondContact O-N 3.02Å; E49-I51 HydrophobicContact CG-CG1 4.21Å; I51-C54 HydrophobicContact CG2-CB 3.59Å; I51-P57 HydrophobicContact CB-CB 4.16Å; I51-P57 HydrophobicContact CD1-CB 3.74Å; I51-P57 HydrophobicContact CG1-CB 4.32Å; I51-P57 HydrophobicContact CG2-CB 4.49Å; I51-Q58 WeakPolarHBondContact CD1-O 3.36Å; I51-F59 HydrophobicContact CD1-CD1 3.82Å; I51-F59 HydrophobicContact CD1-CE1 4.14Å; I51-F59 HydrophobicContact CD1-CG 4.46Å; I51-F59 HydrophobicContact CG1-CD1 4.05Å; I51-F59 HydrophobicContact CG1-CE1 4.1Å
52K86.7Confident91.1Very high152 Ų15269.5 Ų69.566%0.66134%0.335SS*.THydrogen-bonded Turntrans-79.9141.2-175-57.2-170.5176.8-178.80113D28 C54D28-K52 WeakPolarHBondContact OD1-CA 3.41Å; D28-K52 WeakPolarHBondContact OD2-CG 3.29Å; K52-C54 VanDerWaalsContact C-N 3.34Å; K52-C54 PolarHBondContact O-N 2.89Å
53N84.2Confident91.3Very high92 Ų9265.4 Ų65.449%0.49232%0.32SS..THydrogen-bonded Turntrans53.547.8170.1-164.60.4000112.1K26 S27 D28K26-N53 WeakPolarHBondContact CB-OD1 3.41Å; K26-N53 WeakPolarHBondContact CD-OD1 3.44Å; K26-N53 WeakPolarHBondContact CG-OD1 3.36Å; K26-N53 PolarHBondContact N-OD1 3.04Å; S27-N53 WeakPolarHBondContact O-CA 3.39Å; S27-N53 PolarHBondContact O-N 3.37Å; D28-N53 PolarHBondContact OD1-N 2.9Å
54C86.4Confident91.4Very high33 Ų3365.1 Ų65.122%0.22333%0.325CS..  trans-143.1111.8-171.3-167.70000113S27 P29 I51 K52 N56S27-C54 PolarHBondContact O-N 2.89Å; P29-C54 VanDerWaalsContact CD-O 3.26Å; P29-C54 WeakPolarHBondContact CD-O 3.31Å; P29-C54 WeakPolarHBondContact CG-O 3.28Å; I51-C54 HydrophobicContact CG2-CB 3.59Å; K52-C54 VanDerWaalsContact C-N 3.34Å; K52-C54 PolarHBondContact O-N 2.89Å; C54-N56 VanDerWaalsContact C-N 3.29Å; C54-N56 PolarHBondContact O-N 2.84Å; C54-N56 VanDerWaalsContact SG-C 3.54Å
55L87.2Confident91.3Very high35 Ų3561.8 Ų61.818%0.18331%0.31CS..SBendtrans-83-4.3175.3-58.3176.4000113.9N17 L18 D20 K26 P57N17-L55 PolarHBondContact N-O 3.09Å; L18-L55 HydrophobicContact CB-CD2 4.43Å; L18-L55 PolarHBondContact N-O 2.93Å; D20-L55 HydrophobicContact CB-CD1 4.12Å; D20-L55 HydrophobicContact CB-CD2 3.96Å; K26-L55 HydrophobicContact CB-CD2 4.16Å; K26-L55 HydrophobicContact CB-CG 4.13Å; K26-L55 HydrophobicContact CD-CD1 4.47Å; K26-L55 HydrophobicContact CD-CG 4.19Å; K26-L55 HydrophobicContact CG-CD1 4.47Å; K26-L55 HydrophobicContact CG-CG 4.31Å; L55-P57 VanDerWaalsContact C-CD 3.43Å
56N92.4Very high91.2Very high82 Ų8261.9 Ų61.944%0.43931%0.308SS..SBendtrans-130.458.6179.4-54.8-81.3000110.4C15 A16 N17 C54 Q58C15-N56 CarbonylContact O-C 3.41Å; C15-N56 VanDerWaalsContact O-C 3.25Å; C15-N56 VanDerWaalsContact O-CA 3.22Å; C15-N56 WeakPolarHBondContact O-CA 3.12Å; A16-N56 VanDerWaalsContact CA-OD1 3.28Å; A16-N56 WeakPolarHBondContact CA-OD1 3.37Å; N17-N56 PolarHBondContact N-OD1 2.82Å; C54-N56 VanDerWaalsContact C-N 3.29Å; C54-N56 PolarHBondContact O-N 2.84Å; C54-N56 VanDerWaalsContact SG-C 3.54Å; N56-Q58 PolarHBondContact O-N 2.87Å
57P91.8Very high91.1Very high0 Ų061.1 Ų61.10%030%0.303CS..  trans-65.4135-174.130.1-38.2000111.4S14 C15 L18 P29 I51 L55 F59S14-P57 CarbonylContact C-O 3.57Å; S14-P57 VanDerWaalsContact CA-O 3.3Å; S14-P57 WeakPolarHBondContact CA-O 3.36Å; C15-P57 HydrophobicContact CB-CG 3.71Å; C15-P57 PolarHBondContact N-O 2.94Å; L18-P57 HydrophobicContact CD1-CG 3.68Å; P29-P57 HydrophobicContact CB-CB 4.44Å; P29-P57 HydrophobicContact CB-CG 3.95Å; P29-P57 HydrophobicContact CG-CB 3.62Å; P29-P57 HydrophobicContact CG-CG 3.47Å; P29-P57 VanDerWaalsContact CG-CG 3.47Å; I51-P57 HydrophobicContact CB-CB 4.16Å; I51-P57 HydrophobicContact CD1-CB 3.74Å; I51-P57 HydrophobicContact CG1-CB 4.32Å; I51-P57 HydrophobicContact CG2-CB 4.49Å; L55-P57 VanDerWaalsContact C-CD 3.43Å; P57-F59 HydrophobicContact CB-CE1 4.03Å; P57-F59 HydrophobicContact CB-CE2 4.09Å; P57-F59 HydrophobicContact CB-CZ 3.74Å; P57-F59 HydrophobicContact CG-CE2 3.96Å; P57-F59 HydrophobicContact CG-CZ 3.78Å
58Q94.1Very high90.8Very high156 Ų15660.4 Ų60.473%0.72930%0.301SS*.EExtended strand (participates in β ladder)trans-110.8107.3165.3-68-172.9-37.400107.6I51 N56I51-Q58 WeakPolarHBondContact CD1-O 3.36Å; N56-Q58 PolarHBondContact O-N 2.87Å
59F94.1Very high90.3Very high10 Ų1065.3 Ų65.34%0.04432%0.321CS..EExtended strand (participates in β ladder)trans-79.1128.7-178.4-56.2-74.6000109.6V13 P29 C31 T48 E49 I51 P57V13-F59 HydrophobicContact CB-CD2 4.17Å; V13-F59 HydrophobicContact CG1-CD2 4.06Å; V13-F59 HydrophobicContact CG1-CE2 4.37Å; V13-F59 WeakPolarHBondContact O-CB 3.15Å; V13-F59 WeakPolarHBondContact O-CD2 3.16Å; V13-F59 PolarHBondContact O-N 2.96Å; V13-F59 VanDerWaalsContact O-N 3.15Å; P29-F59 HydrophobicContact CB-CZ 4.41Å; C31-F59 HydrophobicContact CB-CD2 4.15Å; C31-F59 HydrophobicContact CB-CE2 3.69Å; C31-F59 HydrophobicContact CB-CZ 3.91Å; T48-F59 HydrophobicContact CG2-CB 3.8Å; T48-F59 HydrophobicContact CG2-CD1 4.06Å; T48-F59 HydrophobicContact CG2-CD2 4.26Å; T48-F59 HydrophobicContact CG2-CG 3.78Å; T48-F59 WeakPolarHBondContact OG1-CD1 3.44Å; T48-F59 VanDerWaalsContact OG1-CE1 3.28Å; T48-F59 WeakPolarHBondContact OG1-CE1 3.35Å; E49-F59 WeakPolarHBondContact O-CD1 3.4Å; E49-F59 WeakPolarHBondContact O-CE1 3.04Å; I51-F59 HydrophobicContact CD1-CD1 3.82Å; I51-F59 HydrophobicContact CD1-CE1 4.14Å; I51-F59 HydrophobicContact CD1-CG 4.46Å; I51-F59 HydrophobicContact CG1-CD1 4.05Å; I51-F59 HydrophobicContact CG1-CE1 4.1Å; P57-F59 HydrophobicContact CB-CE1 4.03Å; P57-F59 HydrophobicContact CB-CE2 4.09Å; P57-F59 HydrophobicContact CB-CZ 3.74Å; P57-F59 HydrophobicContact CG-CE2 3.96Å; P57-F59 HydrophobicContact CG-CZ 3.78Å
60S91.9Very high90Very high101 Ų10168.6 Ų68.671%0.70634%0.337SS*.EExtended strand (participates in β ladder)trans-78.4-26175.1-50.60000111E49 T62E49-S60 WeakPolarHBondContact OE1-CA 3.37Å; E49-S60 VanDerWaalsContact OE1-CB 3.24Å; E49-S60 WeakPolarHBondContact OE1-CB 3.29Å; E49-S60 PolarHBondContact OE1-N 3.39Å; E49-S60 PolarHBondContact OE1-OG 2.79Å; S60-T62 PolarHBondContact O-N 2.85Å
61K92.3Very high89.9Confident78 Ų7867.4 Ų67.434%0.33934%0.338SS..EExtended strand (participates in β ladder)trans-64.5124.6174.1-175.973178.1-175.40110.8E46 T48 E49E46-K61 VanDerWaalsContact OE1-CE 3.28Å; E46-K61 WeakPolarHBondContact OE1-CE 3.34Å; E46-K61 IonicContact OE1-NZ 2.72Å; E46-K61 PolarHBondContact OE1-NZ 2.9Å; E46-K61 WeakPolarHBondContact OE2-CE 3.21Å; E46-K61 IonicContact OE2-NZ 3.44Å; E46-K61 PolarHBondContact OE2-NZ 2.88Å; T48-K61 HydrophobicContact CG2-CB 4.23Å; E49-K61 WeakPolarHBondContact OE2-CB 3.31Å; E49-K61 PolarHBondContact OE2-N 2.76Å; E49-K61 VanDerWaalsContact OE2-N 3.16Å
62T93.6Very high89.8Confident45 Ų4570.7 Ų70.728%0.27636%0.359SS..EExtended strand (participates in β ladder)trans-101.6130172.6-50.80000109.7A10 L11 N12 S60A10-T62 HydrophobicContact CB-CG2 3.36Å; L11-T62 WeakPolarHBondContact O-CA 3.41Å; L11-T62 WeakPolarHBondContact O-CG2 3.41Å; N12-T62 PolarHBondContact ND2-OG1 3.49Å; S60-T62 PolarHBondContact O-N 2.85Å
63F93.6Very high90.1Very high1 Ų163.7 Ų63.70%0.00433%0.329CS..EExtended strand (participates in β ladder)trans-85.7125.2174.4-56.3-71.5000110.4A10 L11 V13 L33 E46 T48 F77A10-F63 CarbonylContact C-O 3.6Å; A10-F63 WeakPolarHBondContact CA-O 3.46Å; L11-F63 HydrophobicContact CB-CB 4.21Å; L11-F63 PolarHBondContact N-O 3.46Å; L11-F63 PolarHBondContact O-N 2.75Å; V13-F63 HydrophobicContact CB-CE2 4.45Å; V13-F63 HydrophobicContact CG2-CD2 3.96Å; V13-F63 HydrophobicContact CG2-CE2 3.68Å; L33-F63 HydrophobicContact CB-CD1 4.08Å; L33-F63 HydrophobicContact CB-CD2 4.39Å; L33-F63 HydrophobicContact CB-CE1 3.85Å; L33-F63 HydrophobicContact CB-CE2 4.18Å; L33-F63 HydrophobicContact CB-CG 4.31Å; L33-F63 HydrophobicContact CB-CZ 3.86Å; L33-F63 HydrophobicContact CD2-CB 3.54Å; L33-F63 HydrophobicContact CD2-CD1 3.87Å; L33-F63 HydrophobicContact CD2-CD2 3.77Å; L33-F63 HydrophobicContact CD2-CE1 4.44Å; L33-F63 HydrophobicContact CD2-CE2 4.36Å; L33-F63 HydrophobicContact CD2-CG 3.45Å; L33-F63 VanDerWaalsContact CD2-CG 3.45Å; E46-F63 HydrophobicContact CB-CD1 3.81Å; E46-F63 HydrophobicContact CB-CE1 3.84Å; E46-F63 HydrophobicContact CG-CD1 4.49Å; E46-F63 HydrophobicContact CG-CE1 4.48Å; T48-F63 HydrophobicContact CG2-CE1 4.25Å; T48-F63 HydrophobicContact CG2-CE2 3.79Å; T48-F63 HydrophobicContact CG2-CZ 3.38Å; F63-F77 HydrophobicContact CD2-CE1 4.42Å; F63-F77 HydrophobicContact CE2-CE1 4.41Å
64I93.3Very high90.6Very high105 Ų10564.1 Ų64.154%0.53833%0.326SS..EExtended strand (participates in β ladder)trans-100.3117.9178.1-58.4176.1000108.7V9 I135V9-I64 WeakPolarHBondContact O-CA 3.15Å; I64-I135 HydrophobicContact CD1-CD1 4.2Å; I64-I135 HydrophobicContact CG1-CD1 4.04Å; I64-I135 HydrophobicContact CG2-CD1 3.86Å
65I91.3Very high91Very high9 Ų962.5 Ų62.55%0.04632%0.316CS..EExtended strand (participates in β ladder)trans-128.8138.5-179.4-61.9-173.7000110.3V9 L11 L33 Y67 L75 L102V9-I65 PolarHBondContact N-O 2.75Å; V9-I65 PolarHBondContact O-N 2.96Å; L11-I65 HydrophobicContact CD1-CD1 4.05Å; L33-I65 HydrophobicContact CD2-CD1 3.52Å; L33-I65 HydrophobicContact CD2-CG1 4.49Å; L33-I65 HydrophobicContact CG-CD1 4.38Å; I65-Y67 PolarHBondContact O-N 2.79Å; I65-L75 HydrophobicContact CD1-CD2 3.84Å; I65-L102 HydrophobicContact CB-CD2 4.46Å; I65-L102 HydrophobicContact CG2-CD2 3.7Å
66D91.1Very high91.4Very high58 Ų5862.1 Ų62.131%0.3131%0.313SS..EExtended strand (participates in β ladder)trans-74.3117.9169.4-62.8-45.4000109.5V6 K8 Y68 Q73V6-D66 HydrophobicContact CG1-CB 3.95Å; K8-D66 VanDerWaalsContact CE-OD1 3.29Å; K8-D66 WeakPolarHBondContact CE-OD1 3.41Å; K8-D66 WeakPolarHBondContact CG-OD1 3.13Å; D66-Y68 HydrophobicContact CB-CD2 4.42Å; D66-Y68 HydrophobicContact CB-CE2 3.65Å; D66-Y68 WeakPolarHBondContact O-CD2 3.46Å; D66-Q73 PolarHBondContact O-NE2 2.95Å; D66-Q73 PolarHBondContact O-OE1 3.25Å
67Y89.4Confident91.5Very high54 Ų5458.2 Ų58.221%0.21229%0.292CS..EExtended strand (participates in β ladder)trans-90.2119.2175.2174.9-124.6000110.4V6 T7 I65 F69 L102 V106V6-Y67 WeakPolarHBondContact CA-O 3.19Å; T7-Y67 PolarHBondContact N-O 2.87Å; T7-Y67 VanDerWaalsContact N-O 3.08Å; T7-Y67 WeakPolarHBondContact O-CB 3.43Å; T7-Y67 PolarHBondContact O-N 2.92Å; I65-Y67 PolarHBondContact O-N 2.79Å; Y67-F69 HydrophobicContact CE1-CB 4.38Å; Y67-L102 HydrophobicContact CD2-CB 4.43Å; Y67-L102 HydrophobicContact CD2-CD2 3.76Å; Y67-L102 HydrophobicContact CD2-CG 3.76Å; Y67-L102 HydrophobicContact CG-CD2 4.24Å; Y67-L102 HydrophobicContact CG-CG 4.4Å; Y67-V106 HydrophobicContact CD1-CG1 4.44Å; Y67-V106 HydrophobicContact CE1-CG1 4.27Å; Y67-V106 HydrophobicContact CG-CG2 4.46Å
68Y89.2Confident91.6Very high70 Ų7058.2 Ų58.228%0.27529%0.292SS..EExtended strand (participates in β ladder)trans-107108.9176-61.5-94.3000108.9V6 D66 E70 V71V6-Y68 HydrophobicContact CG2-CD1 3.39Å; V6-Y68 HydrophobicContact CG2-CE1 3.1Å; V6-Y68 HydrophobicContact CG2-CE2 4.45Å; V6-Y68 HydrophobicContact CG2-CG 4.18Å; D66-Y68 HydrophobicContact CB-CD2 4.42Å; D66-Y68 HydrophobicContact CB-CE2 3.65Å; D66-Y68 WeakPolarHBondContact O-CD2 3.46Å; Y68-E70 PolarHBondContact O-N 3.43Å; Y68-E70 VanDerWaalsContact O-N 3.16Å; Y68-V71 PolarHBondContact O-N 2.96Å; Y68-V71 VanDerWaalsContact O-O 3.14Å
69F82.6Confident91.6Very high111 Ų11150.8 Ų50.849%0.48726%0.257SS..THydrogen-bonded Turntrans-60.7-29.9-173.480.1-85.7000114.1C5 Y67 V71C5-F69 HydrophobicContact CB-CD1 3.69Å; C5-F69 HydrophobicContact CB-CE1 3.75Å; Y67-F69 HydrophobicContact CE1-CB 4.38Å; F69-V71 VanDerWaalsContact C-N 3.3Å
70E85.4Confident91.4Very high135 Ų13551.6 Ų51.663%0.63126%0.26SS*.THydrogen-bonded Turntrans-82.4-8.7-179.7-58.9-175.6132.300113.1Y68Y68-E70 PolarHBondContact O-N 3.43Å; Y68-E70 VanDerWaalsContact O-N 3.16Å
71V86.7Confident91.1Very high54 Ų5446.8 Ų46.833%0.32723%0.226SC..SBendtrans-116.9128.1-170.7-171.60000110.5T37 Y68 F69 Q73T37-V71 HydrophobicContact CG2-CG1 3.37Å; Y68-V71 PolarHBondContact O-N 2.96Å; Y68-V71 VanDerWaalsContact O-O 3.14Å; F69-V71 VanDerWaalsContact C-N 3.3Å; V71-Q73 HydrophobicContact CG1-CG 4.31Å; V71-Q73 PolarHBondContact O-N 2.86Å
72V89.3Confident90.6Very high103 Ų10343.8 Ų43.862%0.62421%0.214SC*.  trans-77.290.7174.1-176.50000109.4K74 T101V72-K74 HydrophobicContact CG1-CG 4.42Å; V72-K74 PolarHBondContact O-N 3.41Å; V72-T101 HydrophobicContact CG1-CG2 4.12Å
73Q91.5Very high89.4Confident5 Ų544.6 Ų44.62%0.02322%0.217CC..  trans-84106.3175-67.1171-93.200110.3L35 T37 D66 V71 T101 L102L35-Q73 HydrophobicContact CD1-CB 3.9Å; L35-Q73 HydrophobicContact CD1-CG 4.39Å; T37-Q73 HydrophobicContact CG2-CG 4.15Å; D66-Q73 PolarHBondContact O-NE2 2.95Å; D66-Q73 PolarHBondContact O-OE1 3.25Å; V71-Q73 HydrophobicContact CG1-CG 4.31Å; V71-Q73 PolarHBondContact O-N 2.86Å; Q73-T101 WeakPolarHBondContact O-CA 3.39Å; Q73-L102 HydrophobicContact CB-CB 4.01Å; Q73-L102 HydrophobicContact CB-CD2 4.45Å; Q73-L102 PolarHBondContact O-N 2.9Å
74K94.7Very high87.8Confident101 Ų10148.5 Ų48.544%0.43924%0.237SC..EExtended strand (participates in β ladder)trans-84.6132.8175.5-61.6-178.8179.81800109.8L35 N36 W42 V72 T101L35-K74 CarbonylContact C-O 3.59Å; L35-K74 WeakPolarHBondContact CA-O 3.47Å; L35-K74 WeakPolarHBondContact CD1-O 3.37Å; N36-K74 HydrophobicContact CB-CB 4.33Å; N36-K74 PolarHBondContact N-O 2.87Å; N36-K74 WeakPolarHBondContact O-CB 3.29Å; N36-K74 PolarHBondContact O-N 3.09Å; W42-K74 HydrophobicContact CH2-CB 3.75Å; W42-K74 HydrophobicContact CZ3-CB 4.16Å; W42-K74 WeakPolarHBondContact CZ3-O 3.26Å; V72-K74 HydrophobicContact CG1-CG 4.42Å; V72-K74 PolarHBondContact O-N 3.41Å; K74-T101 HydrophobicContact CG-CG2 4.36Å
75L95.3Very high86Confident0 Ų053.3 Ų53.30%026%0.255CS..EExtended strand (participates in β ladder)trans-115.6139.4177.3-61178.1000109.7L11 L33 F34 L35 I65 F77 E99 C100 L102 I105L11-L75 HydrophobicContact CD1-CD1 3.74Å; L33-L75 HydrophobicContact CD1-CB 4.14Å; L33-L75 HydrophobicContact CD1-CD2 4.07Å; F34-L75 CarbonylContact O-C 3.58Å; F34-L75 WeakPolarHBondContact O-CA 3.41Å; L35-L75 HydrophobicContact CB-CD2 4.14Å; L35-L75 HydrophobicContact CD1-CD2 3.63Å; L35-L75 HydrophobicContact CG-CD2 4.38Å; I65-L75 HydrophobicContact CD1-CD2 3.84Å; L75-F77 HydrophobicContact CB-CE2 3.82Å; L75-F77 HydrophobicContact CB-CZ 4.37Å; L75-F77 HydrophobicContact CD1-CE2 4.29Å; L75-F77 HydrophobicContact CD1-CZ 4.2Å; L75-E99 WeakPolarHBondContact O-CA 3.19Å; L75-C100 PolarHBondContact N-O 2.77Å; L75-C100 PolarHBondContact O-N 2.77Å; L75-L102 HydrophobicContact CD1-CB 3.97Å; L75-L102 HydrophobicContact CD1-CD1 4.02Å; L75-L102 HydrophobicContact CG-CB 4.36Å; L75-I105 HydrophobicContact CD1-CD1 3.71Å
76K95.1Very high84.1Confident27 Ų2756 Ų5612%0.11727%0.271CS..EExtended strand (participates in β ladder)trans-126.2125.3171.9169.9-175.3-69.3-121.30108.1F34 W42 E97 C98 E99F34-K76 HydrophobicContact CB-CB 4.14Å; F34-K76 HydrophobicContact CD2-CD 4.33Å; F34-K76 HydrophobicContact CD2-CG 4.24Å; F34-K76 PolarHBondContact N-O 3.35Å; F34-K76 PolarHBondContact O-N 2.87Å; W42-K76 HydrophobicContact CD2-CB 4.41Å; W42-K76 HydrophobicContact CE3-CB 3.84Å; W42-K76 HydrophobicContact CH2-CB 3.69Å; W42-K76 HydrophobicContact CZ2-CB 4.28Å; W42-K76 HydrophobicContact CZ3-CB 3.46Å; W42-K76 VanDerWaalsContact CZ3-CB 3.46Å; K76-E97 WeakPolarHBondContact CD-OE2 3.36Å; K76-E97 VanDerWaalsContact NZ-CD 3.26Å; K76-E97 IonicContact NZ-OE1 2.87Å; K76-E97 PolarHBondContact NZ-OE1 2.76Å; K76-E97 IonicContact NZ-OE2 2.7Å; K76-E97 PolarHBondContact NZ-OE2 2.91Å; K76-C98 CarbonylContact C-O 3.57Å; K76-C98 WeakPolarHBondContact CA-O 3.31Å; K76-E99 HydrophobicContact CB-CG 4.14Å; K76-E99 WeakPolarHBondContact CE-OE1 3.32Å; K76-E99 HydrophobicContact CG-CG 4.18Å; K76-E99 IonicContact NZ-OE1 3.37Å; K76-E99 PolarHBondContact NZ-OE1 3.33Å
77F95.5Very high82.2Confident0 Ų060.5 Ų60.50%029%0.294CS..EExtended strand (participates in β ladder)trans-105.6112.2175.7-62.5-94.8000107.5L11 V13 V32 L33 F63 L75 E97 C98 I105 I128 I130L11-F77 HydrophobicContact CD1-CZ 4.31Å; V13-F77 HydrophobicContact CG2-CD1 3.82Å; V13-F77 HydrophobicContact CG2-CE1 3.6Å; V32-F77 CarbonylContact O-C 3.55Å; V32-F77 WeakPolarHBondContact O-CA 3.46Å; L33-F77 HydrophobicContact CD1-CD1 3.84Å; L33-F77 HydrophobicContact CD1-CD2 4.36Å; L33-F77 HydrophobicContact CD1-CE1 3.51Å; L33-F77 HydrophobicContact CD1-CE2 4.04Å; L33-F77 HydrophobicContact CD1-CG 4.25Å; L33-F77 HydrophobicContact CD1-CZ 3.61Å; L33-F77 HydrophobicContact CD2-CE1 4.25Å; L33-F77 HydrophobicContact CG-CE1 4.35Å; F63-F77 HydrophobicContact CD2-CE1 4.42Å; F63-F77 HydrophobicContact CE2-CE1 4.41Å; L75-F77 HydrophobicContact CB-CE2 3.82Å; L75-F77 HydrophobicContact CB-CZ 4.37Å; L75-F77 HydrophobicContact CD1-CE2 4.29Å; L75-F77 HydrophobicContact CD1-CZ 4.2Å; F77-E97 CarbonylContact O-C 3.57Å; F77-E97 WeakPolarHBondContact O-CA 3.3Å; F77-E97 WeakPolarHBondContact O-CB 3.46Å; F77-C98 PolarHBondContact N-O 2.94Å; F77-C98 PolarHBondContact O-N 3.17Å; F77-I105 HydrophobicContact CE2-CD1 4.21Å; F77-I105 HydrophobicContact CZ-CD1 4.27Å; F77-I128 HydrophobicContact CB-CD1 3.48Å; F77-I128 VanDerWaalsContact CB-CD1 3.48Å; F77-I128 HydrophobicContact CD1-CD1 4.39Å; F77-I128 HydrophobicContact CG-CD1 4.02Å; F77-I130 HydrophobicContact CD1-CG1 4.34Å; F77-I130 HydrophobicContact CD2-CD1 4.32Å; F77-I130 HydrophobicContact CD2-CG1 4.17Å; F77-I130 HydrophobicContact CE1-CG1 4.11Å; F77-I130 HydrophobicContact CE1-CG2 4.25Å; F77-I130 HydrophobicContact CE2-CD1 4.4Å; F77-I130 HydrophobicContact CE2-CG1 3.95Å; F77-I130 HydrophobicContact CE2-CG2 4.47Å; F77-I130 HydrophobicContact CG-CG1 4.38Å; F77-I130 HydrophobicContact CZ-CG1 3.92Å; F77-I130 HydrophobicContact CZ-CG2 3.84Å
78G94.2Very high80.5Confident0 Ų064.3 Ų64.30%031%0.314CS..EExtended strand (participates in β ladder)trans-101.8129.117500000110.4C31 V32C31-G78 CarbonylContact C-O 3.58Å; C31-G78 WeakPolarHBondContact CA-O 3.49Å; V32-G78 PolarHBondContact N-O 2.9Å; V32-G78 PolarHBondContact O-N 3.47Å
79V92.9Very high79Confident0 Ų063 Ų630%031%0.311CS..EExtended strand (participates in β ladder)trans-107.9128.5177.3-171.30000108.7L18 P29 L30 L95 G96 L115 I128L18-V79 HydrophobicContact CD1-CG1 4.13Å; L18-V79 HydrophobicContact CD2-CG1 4.29Å; P29-V79 HydrophobicContact CB-CG1 4.13Å; L30-V79 WeakPolarHBondContact O-CA 3.41Å; V79-L95 HydrophobicContact CB-CB 4.31Å; V79-L95 HydrophobicContact CG1-CB 4.12Å; V79-L95 HydrophobicContact CG1-CD1 4.17Å; V79-L95 PolarHBondContact O-N 3.44Å; V79-G96 PolarHBondContact N-O 3.07Å; V79-G96 PolarHBondContact O-N 2.72Å; V79-L115 HydrophobicContact CG2-CD1 4.3Å; V79-L115 HydrophobicContact CG2-CD2 4.01Å; V79-I128 HydrophobicContact CG2-CD1 4.36Å
80Y89.9Confident77.6Confident26 Ų2662.9 Ų62.910%0.10232%0.324CS..EExtended strand (participates in β ladder)trans-126.1142-176.3-61.3-99.6000109.2P29 L30 V32 L89 F94P29-Y80 CarbonylContact C-O 3.59Å; P29-Y80 VanDerWaalsContact CA-O 3.32Å; P29-Y80 WeakPolarHBondContact CA-O 3.1Å; L30-Y80 PolarHBondContact N-O 2.83Å; L30-Y80 PolarHBondContact O-N 2.88Å; V32-Y80 HydrophobicContact CB-CE2 4.2Å; V32-Y80 HydrophobicContact CG2-CD2 3.86Å; V32-Y80 HydrophobicContact CG2-CE2 3.85Å; Y80-L89 HydrophobicContact CD1-CD2 4.31Å; Y80-L89 HydrophobicContact CD2-CD2 4.46Å; Y80-L89 HydrophobicContact CG-CD2 4.18Å; Y80-F94 AromaticContact CD1-CD2 3.98Å; Y80-F94 HydrophobicContact CD1-CD2 3.98Å; Y80-F94 AromaticContact CE1-CD2 3.58Å; Y80-F94 HydrophobicContact CE1-CD2 3.58Å; Y80-F94 HydrophobicContact CE1-CE2 4.17Å; Y80-F94 HydrophobicContact CE2-CD2 4.49Å; Y80-F94 HydrophobicContact CE2-CE2 4.44Å; Y80-F94 AromaticContact CZ-CD2 3.86Å; Y80-F94 AromaticContact CZ-CE2 3.96Å
81D86.4Confident76.1Confident0 Ų062.1 Ų62.10%032%0.324CS..EExtended strand (participates in β ladder)trans-87.4116.7168.8-151.6-2.9000108.5S27 D28 D83 D92 D93 L95S27-D81 WeakPolarHBondContact CA-OD1 2.91Å; S27-D81 VanDerWaalsContact CA-OD2 3.32Å; S27-D81 WeakPolarHBondContact CA-OD2 3.44Å; S27-D81 VanDerWaalsContact CB-CG 3.42Å; S27-D81 VanDerWaalsContact CB-OD1 3.25Å; S27-D81 WeakPolarHBondContact CB-OD1 3.43Å; S27-D81 WeakPolarHBondContact CB-OD2 3.42Å; S27-D81 PolarHBondContact OG-OD2 2.75Å; D28-D81 PolarHBondContact N-OD1 2.9Å; D81-D83 PolarHBondContact O-N 2.79Å; D81-D92 WeakPolarHBondContact O-CB 3.48Å; D81-D93 HydrophobicContact CB-CB 3.75Å; D81-D93 WeakPolarHBondContact CB-O 3.44Å; D81-D93 PolarHBondContact N-O 2.94Å; D81-D93 PolarHBondContact O-N 3.43Å; D81-L95 HydrophobicContact CB-CD1 3.82Å; D81-L95 HydrophobicContact CB-CD2 3.97Å; D81-L95 HydrophobicContact CB-CG 3.82Å
82I82.2Confident75.2Confident15 Ų1560.3 Ų60.38%0.07731%0.313CS..  trans-95.684.5-179-48.2-61.3000107.6D28 L30 R50 N84 L89 D92D28-I82 PolarHBondContact O-N 3.23Å; D28-I82 VanDerWaalsContact O-N 3.16Å; L30-I82 HydrophobicContact CB-CD1 4.2Å; L30-I82 HydrophobicContact CB-CG1 3.73Å; L30-I82 HydrophobicContact CD1-CG1 4.35Å; R50-I82 HydrophobicContact CG-CB 4.4Å; R50-I82 PolarHBondContact NE-O 2.85Å; R50-I82 PolarHBondContact NH1-O 2.88Å; R50-I82 VanDerWaalsContact NH1-O 3.13Å; R50-I82 PolarHBondContact NH2-O 3.29Å; I82-N84 VanDerWaalsContact C-N 3.34Å; I82-L89 HydrophobicContact CD1-CD2 4.29Å; I82-D92 HydrophobicContact CD1-CB 4Å; I82-D92 VanDerWaalsContact CD1-CG 3.47Å; I82-D92 WeakPolarHBondContact CD1-OD2 3.39Å
83D68.9Low74.6Confident63 Ų6358.2 Ų58.234%0.33730%0.298SS..  trans-76.9-29-176.4-56.8-34.7000111.4D81D81-D83 PolarHBondContact O-N 2.79Å
84N59.1Low74.4Confident82 Ų8259.1 Ų59.144%0.43930%0.302SS..SBendtrans-98.4165.9-170.3-137.8-15.2000113R50 I82 T86R50-N84 PolarHBondContact NH1-O 2.77Å; I82-N84 VanDerWaalsContact C-N 3.34Å; N84-T86 WeakPolarHBondContact CB-OG1 3.39Å
85K55.1Low74.1Confident207 Ų20754.3 Ų54.390%0.928%0.281SS*.SBendtrans-80.7-4172.3-72.7-177.5-179.3177.80112.8
86T51Low74Confident64 Ų6454.3 Ų54.339%0.39328%0.281SS..SBendtrans-85.6157.4-178.144.90000111.2N84N84-T86 WeakPolarHBondContact CB-OG1 3.39Å
87I52.8Low73.9Confident154 Ų15454.4 Ų54.479%0.7928%0.282SS*.  trans-93.4-5.9-173.7-59.6164.6000111.2
88E52.1Low73.9Confident134 Ų13454.6 Ų54.663%0.62628%0.283SS*.  trans-88.8115.2-171.8-62.3-165.195.200112.4S90E88-S90 PolarHBondContact O-N 2.88Å
89L57.6Low73.9Confident42 Ų4259.6 Ų59.622%0.2231%0.307CS..THydrogen-bonded Turntrans-61.5-1.5177.6-69.1171.6000115.5R47 Y80 I82 D92R47-L89 VanDerWaalsContact NH2-CD1 3.26Å; Y80-L89 HydrophobicContact CD1-CD2 4.31Å; Y80-L89 HydrophobicContact CD2-CD2 4.46Å; Y80-L89 HydrophobicContact CG-CD2 4.18Å; I82-L89 HydrophobicContact CD1-CD2 4.29Å; L89-D92 VanDerWaalsContact CA-OD2 3.3Å; L89-D92 WeakPolarHBondContact CA-OD2 3.39Å
90S54.1Low73.9Confident108 Ų10860.1 Ų60.176%0.75531%0.31SS*.THydrogen-bonded Turntrans-80.4-27-175.4-60.60000112.8E88E88-S90 PolarHBondContact O-N 2.88Å
91D53.5Low74.1Confident119 Ų11960.6 Ų60.664%0.63632%0.316SS*.SBendtrans-100.1-6.6176.8-68.8-43.5000112.5
92D68.1Low74.4Confident17 Ų1760.6 Ų60.69%0.09132%0.316CS..SBendtrans-81.1140.2-175.4-67.6-33000111.8D81 I82 L89 F94D81-D92 WeakPolarHBondContact O-CB 3.48Å; I82-D92 HydrophobicContact CD1-CB 4Å; I82-D92 VanDerWaalsContact CD1-CG 3.47Å; I82-D92 WeakPolarHBondContact CD1-OD2 3.39Å; L89-D92 VanDerWaalsContact CA-OD2 3.3Å; L89-D92 WeakPolarHBondContact CA-OD2 3.39Å; D92-F94 PolarHBondContact O-N 3.36Å
93D77.6Confident74.8Confident59 Ų5961.1 Ų61.132%0.31633%0.325SS..EExtended strand (participates in β ladder)trans-80.3116-169.3-121.5-31.8000111K21 D81 L95K21-D93 HydrophobicContact CD-CB 3.92Å; K21-D93 WeakPolarHBondContact CD-OD1 3.49Å; K21-D93 WeakPolarHBondContact CD-OD2 3.28Å; K21-D93 IonicContact NZ-OD1 3.04Å; K21-D93 PolarHBondContact NZ-OD1 3.18Å; D81-D93 HydrophobicContact CB-CB 3.75Å; D81-D93 WeakPolarHBondContact CB-O 3.44Å; D81-D93 PolarHBondContact N-O 2.94Å; D81-D93 PolarHBondContact O-N 3.43Å; D93-L95 PolarHBondContact O-N 2.98Å
94F86.9Confident75.9Confident23 Ų2362.1 Ų62.110%0.10133%0.328CS..EExtended strand (participates in β ladder)trans-68.2120.6-178.6-171.5-106.4000110.9K21 Y80 D92 G96 E97 M117 K118K21-F94 PolarHBondContact NZ-O 3.33Å; Y80-F94 AromaticContact CD1-CD2 3.98Å; Y80-F94 HydrophobicContact CD1-CD2 3.98Å; Y80-F94 AromaticContact CE1-CD2 3.58Å; Y80-F94 HydrophobicContact CE1-CD2 3.58Å; Y80-F94 HydrophobicContact CE1-CE2 4.17Å; Y80-F94 HydrophobicContact CE2-CD2 4.49Å; Y80-F94 HydrophobicContact CE2-CE2 4.44Å; Y80-F94 AromaticContact CZ-CD2 3.86Å; Y80-F94 AromaticContact CZ-CE2 3.96Å; D92-F94 PolarHBondContact O-N 3.36Å; F94-G96 VanDerWaalsContact CE1-CA 3.42Å; F94-E97 HydrophobicContact CE1-CG 4.42Å; F94-E97 HydrophobicContact CE2-CB 4.43Å; F94-E97 HydrophobicContact CZ-CB 3.7Å; F94-E97 HydrophobicContact CZ-CG 3.79Å; F94-M117 HydrophobicContact CD1-SD 3.99Å; F94-M117 HydrophobicContact CE1-SD 4.45Å; F94-K118 HydrophobicContact CD1-CG 4.07Å; F94-K118 HydrophobicContact CE1-CG 3.72Å; F94-K118 HydrophobicContact CZ-CG 3.96Å
95L88Confident77.5Confident1 Ų158.2 Ų58.21%0.00531%0.307CS..EExtended strand (participates in β ladder)trans-96.1-23.1-179.8-64.7-179.2000112.5L18 L19 K21 P29 V79 D81 D93 A123L18-L95 HydrophobicContact CD1-CD1 4.16Å; L19-L95 HydrophobicContact CB-CD2 4.43Å; L19-L95 VanDerWaalsContact O-CD2 3.31Å; L19-L95 WeakPolarHBondContact O-CD2 3.22Å; K21-L95 HydrophobicContact CD-CD2 4.43Å; K21-L95 HydrophobicContact CG-CD2 4.47Å; P29-L95 HydrophobicContact CB-CD1 4.21Å; V79-L95 HydrophobicContact CB-CB 4.31Å; V79-L95 HydrophobicContact CG1-CB 4.12Å; V79-L95 HydrophobicContact CG1-CD1 4.17Å; V79-L95 PolarHBondContact O-N 3.44Å; D81-L95 HydrophobicContact CB-CD1 3.82Å; D81-L95 HydrophobicContact CB-CD2 3.97Å; D81-L95 HydrophobicContact CB-CG 3.82Å; D93-L95 PolarHBondContact O-N 2.98Å; L95-A123 VanDerWaalsContact O-CB 3.22Å; L95-A123 WeakPolarHBondContact O-CB 3.25Å
96G92.3Very high79.2Confident0 Ų050.5 Ų50.50%028%0.277CS..EExtended strand (participates in β ladder)trans148.1168172.800000112.9V79 F94 V116V79-G96 PolarHBondContact N-O 3.07Å; V79-G96 PolarHBondContact O-N 2.72Å; F94-G96 VanDerWaalsContact CE1-CA 3.42Å; G96-V116 CarbonylContact C-O 3.56Å; G96-V116 VanDerWaalsContact CA-O 3.29Å; G96-V116 WeakPolarHBondContact CA-O 3.16Å
97E94.5Very high81.1Confident28 Ų2852.3 Ų52.313%0.13129%0.292CS..EExtended strand (participates in β ladder)trans-128.8162.817358.5-178.9-16100112.6K76 F77 F94 V116K76-E97 WeakPolarHBondContact CD-OE2 3.36Å; K76-E97 VanDerWaalsContact NZ-CD 3.26Å; K76-E97 IonicContact NZ-OE1 2.87Å; K76-E97 PolarHBondContact NZ-OE1 2.76Å; K76-E97 IonicContact NZ-OE2 2.7Å; K76-E97 PolarHBondContact NZ-OE2 2.91Å; F77-E97 CarbonylContact O-C 3.57Å; F77-E97 WeakPolarHBondContact O-CA 3.3Å; F77-E97 WeakPolarHBondContact O-CB 3.46Å; F94-E97 HydrophobicContact CE1-CG 4.42Å; F94-E97 HydrophobicContact CE2-CB 4.43Å; F94-E97 HydrophobicContact CZ-CB 3.7Å; F94-E97 HydrophobicContact CZ-CG 3.79Å; E97-V116 HydrophobicContact CG-CG2 4.15Å; E97-V116 PolarHBondContact N-O 2.93Å; E97-V116 VanDerWaalsContact O-CG2 3.31Å; E97-V116 WeakPolarHBondContact O-CG2 3.44Å; E97-V116 PolarHBondContact O-N 3.34Å
98C94.5Very high82.8Confident4 Ų448.3 Ų48.33%0.02728%0.278CS..EExtended strand (participates in β ladder)trans-135.4131.5167172.30000109.5K76 F77 R113 I128K76-C98 CarbonylContact C-O 3.57Å; K76-C98 WeakPolarHBondContact CA-O 3.31Å; F77-C98 PolarHBondContact N-O 2.94Å; F77-C98 PolarHBondContact O-N 3.17Å; C98-R113 VanDerWaalsContact SG-CB 3.54Å; C98-I128 HydrophobicContact CB-CG2 3.42Å; C98-I128 VanDerWaalsContact CB-CG2 3.42Å
99E94.1Very high84.6Confident106 Ų10649.3 Ų49.350%0.49528%0.28SS..EExtended strand (participates in β ladder)trans-103.7136.2170.5-64.7-171.7-166.200110.5L75 K76L75-E99 WeakPolarHBondContact O-CA 3.19Å; K76-E99 HydrophobicContact CB-CG 4.14Å; K76-E99 WeakPolarHBondContact CE-OE1 3.32Å; K76-E99 HydrophobicContact CG-CG 4.18Å; K76-E99 IonicContact NZ-OE1 3.37Å; K76-E99 PolarHBondContact NZ-OE1 3.33Å
100C93.5Very high86.3Confident11 Ų1153.6 Ų53.67%0.07430%0.297CS..EExtended strand (participates in β ladder)trans-154.6177.6173.659.50000110.3L75 L111L75-C100 PolarHBondContact N-O 2.77Å; L75-C100 PolarHBondContact O-N 2.77Å; C100-L111 HydrophobicContact CB-CD2 3.61Å
101T93.5Very high88.2Confident36 Ų3649.2 Ų49.222%0.22127%0.265CS..EExtended strand (participates in β ladder)trans-106.3148.1172.5590000110.3V72 Q73 K74 G103 Q104 I105V72-T101 HydrophobicContact CG1-CG2 4.12Å; Q73-T101 WeakPolarHBondContact O-CA 3.39Å; K74-T101 HydrophobicContact CG-CG2 4.36Å; T101-G103 PolarHBondContact O-N 2.88Å; T101-Q104 WeakPolarHBondContact O-CB 3.28Å; T101-Q104 PolarHBondContact O-N 3.17Å; T101-Q104 WeakPolarHBondContact OG1-CB 3.43Å; T101-Q104 VanDerWaalsContact OG1-CD 3.3Å; T101-Q104 WeakPolarHBondContact OG1-CG 3.14Å; T101-Q104 PolarHBondContact OG1-N 2.75Å; T101-Q104 PolarHBondContact OG1-OE1 2.7Å; T101-I105 PolarHBondContact O-N 3.23Å
102L92.1Very high90.2Very high0 Ų047.3 Ų47.30%026%0.257CS..Hα-helixtrans-56.6-40.2175.7-178.455000111L11 I65 Y67 Q73 L75 Q104 I105 V106L11-L102 HydrophobicContact CD1-CD1 4.13Å; L11-L102 HydrophobicContact CD2-CD1 4.03Å; I65-L102 HydrophobicContact CB-CD2 4.46Å; I65-L102 HydrophobicContact CG2-CD2 3.7Å; Y67-L102 HydrophobicContact CD2-CB 4.43Å; Y67-L102 HydrophobicContact CD2-CD2 3.76Å; Y67-L102 HydrophobicContact CD2-CG 3.76Å; Y67-L102 HydrophobicContact CG-CD2 4.24Å; Y67-L102 HydrophobicContact CG-CG 4.4Å; Q73-L102 HydrophobicContact CB-CB 4.01Å; Q73-L102 HydrophobicContact CB-CD2 4.45Å; Q73-L102 PolarHBondContact O-N 2.9Å; L75-L102 HydrophobicContact CD1-CB 3.97Å; L75-L102 HydrophobicContact CD1-CD1 4.02Å; L75-L102 HydrophobicContact CG-CB 4.36Å; L102-Q104 VanDerWaalsContact C-N 3.31Å; L102-Q104 PolarHBondContact O-N 2.8Å; L102-I105 PolarHBondContact O-N 2.88Å; L102-V106 HydrophobicContact CD1-CG2 3.91Å; L102-V106 HydrophobicContact CG-CG2 4.17Å; L102-V106 VanDerWaalsContact O-CG2 3.31Å; L102-V106 WeakPolarHBondContact O-CG2 3.33Å; L102-V106 PolarHBondContact O-N 3.31Å
103G91.3Very high91.5Very high26 Ų2652 Ų5227%0.26827%0.274SS..Hα-helixtrans-58.1-37.5175.300000113.9T101 S107T101-G103 PolarHBondContact O-N 2.88Å; G103-S107 WeakPolarHBondContact O-CB 3.44Å; G103-S107 PolarHBondContact O-N 2.99Å
104Q92.3Very high92.3Very high84 Ų8453.4 Ų53.439%0.39329%0.286SS..Hα-helixtrans-65.9-41.5176.2-79.2169.2-49.200112.6T101 L102 S108T101-Q104 WeakPolarHBondContact O-CB 3.28Å; T101-Q104 PolarHBondContact O-N 3.17Å; T101-Q104 WeakPolarHBondContact OG1-CB 3.43Å; T101-Q104 VanDerWaalsContact OG1-CD 3.3Å; T101-Q104 WeakPolarHBondContact OG1-CG 3.14Å; T101-Q104 PolarHBondContact OG1-N 2.75Å; T101-Q104 PolarHBondContact OG1-OE1 2.7Å; L102-Q104 VanDerWaalsContact C-N 3.31Å; L102-Q104 PolarHBondContact O-N 2.8Å; Q104-S108 WeakPolarHBondContact O-CB 3.45Å; Q104-S108 PolarHBondContact O-N 2.86Å; Q104-S108 VanDerWaalsContact O-N 3.09Å; Q104-S108 PolarHBondContact O-OG 2.97Å
105I92.8Very high92.6Very high0 Ų052.4 Ų52.40%028%0.282CS..Hα-helixtrans-69.2-47.6-180-50.3164.3000109.7L11 L75 F77 T101 L102 S107 S108 K109 L111 I130 A132L11-I105 HydrophobicContact CD2-CD1 4.48Å; L11-I105 HydrophobicContact CD2-CG2 4.2Å; L75-I105 HydrophobicContact CD1-CD1 3.71Å; F77-I105 HydrophobicContact CE2-CD1 4.21Å; F77-I105 HydrophobicContact CZ-CD1 4.27Å; T101-I105 PolarHBondContact O-N 3.23Å; L102-I105 PolarHBondContact O-N 2.88Å; I105-S107 VanDerWaalsContact C-N 3.32Å; I105-S107 PolarHBondContact O-N 3.21Å; I105-S108 PolarHBondContact O-N 3.15Å; I105-K109 VanDerWaalsContact O-CA 3.32Å; I105-K109 WeakPolarHBondContact O-CA 3.38Å; I105-K109 PolarHBondContact O-N 3.46Å; I105-L111 HydrophobicContact CG1-CB 4.43Å; I105-L111 HydrophobicContact CG1-CD2 3.98Å; I105-I130 HydrophobicContact CD1-CG2 3.94Å; I105-I130 HydrophobicContact CG2-CB 4.39Å; I105-I130 HydrophobicContact CG2-CG2 3.95Å; I105-A132 HydrophobicContact CB-CB 4.44Å; I105-A132 HydrophobicContact CG2-CB 3.63Å
106V90.8Very high92.8Very high44 Ų4454.6 Ų54.627%0.26730%0.296SS..Hα-helixtrans-60.5-42.7178.8173.90000111V9 Y67 L102 A132V9-V106 HydrophobicContact CG1-CG2 4.07Å; V9-V106 HydrophobicContact CG2-CG2 3.93Å; Y67-V106 HydrophobicContact CD1-CG1 4.44Å; Y67-V106 HydrophobicContact CE1-CG1 4.27Å; Y67-V106 HydrophobicContact CG-CG2 4.46Å; L102-V106 HydrophobicContact CD1-CG2 3.91Å; L102-V106 HydrophobicContact CG-CG2 4.17Å; L102-V106 VanDerWaalsContact O-CG2 3.31Å; L102-V106 WeakPolarHBondContact O-CG2 3.33Å; L102-V106 PolarHBondContact O-N 3.31Å; V106-A132 HydrophobicContact CG2-CB 4.35Å
107S90.3Very high92.7Very high103 Ų10356.4 Ų56.472%0.7230%0.304SS*.Hα-helixtrans-65.3-39.1178.1177.90000112.9G103 I105G103-S107 WeakPolarHBondContact O-CB 3.44Å; G103-S107 PolarHBondContact O-N 2.99Å; I105-S107 VanDerWaalsContact C-N 3.32Å; I105-S107 PolarHBondContact O-N 3.21Å
108S89.3Confident92.2Very high69 Ų6962.1 Ų62.148%0.48333%0.329SS..Hα-helixtrans-88.9-12.5-177.4-51.30000113.3Q104 I105 K110Q104-S108 WeakPolarHBondContact O-CB 3.45Å; Q104-S108 PolarHBondContact O-N 2.86Å; Q104-S108 VanDerWaalsContact O-N 3.09Å; Q104-S108 PolarHBondContact O-OG 2.97Å; I105-S108 PolarHBondContact O-N 3.15Å; S108-K110 WeakPolarHBondContact CB-O 3.38Å; S108-K110 PolarHBondContact O-N 2.58Å
109K89.3Confident91.7Very high156 Ų15667.1 Ų67.168%0.67836%0.359SS*.SBendtrans58.6-29.8-165.4-57.5-178.5179.4-178.50115.2I105 S131 A132I105-K109 VanDerWaalsContact O-CA 3.32Å; I105-K109 WeakPolarHBondContact O-CA 3.38Å; I105-K109 PolarHBondContact O-N 3.46Å; K109-S131 CarbonylContact O-C 3.57Å; K109-S131 VanDerWaalsContact O-CA 3.22Å; K109-S131 WeakPolarHBondContact O-CA 3.43Å; K109-A132 PolarHBondContact O-N 3.27Å
110K93.2Very high91.1Very high131 Ų13164.8 Ų64.857%0.5736%0.364SS*.EExtended strand (participates in β ladder)trans-144.1130.3178-172.8177.3-178.1177.40109.3S108 T129 I130S108-K110 WeakPolarHBondContact CB-O 3.38Å; S108-K110 PolarHBondContact O-N 2.58Å; K110-T129 HydrophobicContact CD-CG2 4.21Å; K110-T129 HydrophobicContact CG-CG2 3.92Å; K110-I130 CarbonylContact C-O 3.56Å; K110-I130 WeakPolarHBondContact CA-O 2.82Å
111L94.6Very high90.8Very high16 Ų1673.1 Ų73.18%0.08439%0.394CS..EExtended strand (participates in β ladder)trans-126.6120.3180-178.467.3000109C100 I105 R113 T129 I130C100-L111 HydrophobicContact CB-CD2 3.61Å; I105-L111 HydrophobicContact CG1-CB 4.43Å; I105-L111 HydrophobicContact CG1-CD2 3.98Å; L111-R113 HydrophobicContact CD1-CG 4.31Å; L111-R113 HydrophobicContact CD2-CG 4.33Å; L111-R113 HydrophobicContact CG-CG 4.07Å; L111-T129 CarbonylContact O-C 3.49Å; L111-T129 WeakPolarHBondContact O-CA 3.28Å; L111-I130 PolarHBondContact N-O 3.34Å; L111-I130 PolarHBondContact O-N 2.77Å
112T95.4Very high90.5Very high79 Ų7976.1 Ų76.149%0.48541%0.413SS..EExtended strand (participates in β ladder)trans-111129.7172.5-60.50000109.4I128 T129T112-I128 CarbonylContact C-O 3.58Å; T112-I128 WeakPolarHBondContact CA-O 3.15Å; T112-T129 WeakPolarHBondContact CG2-OG1 3.3Å; T112-T129 WeakPolarHBondContact OG1-CG2 3.23Å; T112-T129 PolarHBondContact OG1-OG1 3.29Å
113R94.5Very high90.3Very high116 Ų11676.1 Ų76.144%0.43841%0.414SS..EExtended strand (participates in β ladder)trans-137.9147.3-179.4-69.7-67.4-173.9174.1-1.8110.8C98 L111 S127 I128C98-R113 VanDerWaalsContact SG-CB 3.54Å; L111-R113 HydrophobicContact CD1-CG 4.31Å; L111-R113 HydrophobicContact CD2-CG 4.33Å; L111-R113 HydrophobicContact CG-CG 4.07Å; R113-S127 CarbonylContact O-C 3.52Å; R113-S127 VanDerWaalsContact O-CA 3.31Å; R113-S127 WeakPolarHBondContact O-CA 3.21Å; R113-S127 WeakPolarHBondContact O-CB 3.08Å; R113-I128 HydrophobicContact CB-CG2 4.47Å; R113-I128 PolarHBondContact N-O 3.35Å; R113-I128 PolarHBondContact O-N 3.01Å
114P94.6Very high90.1Very high89 Ų8977.2 Ų77.258%0.57843%0.425SS*.EExtended strand (participates in β ladder)trans-65.9144.9168.730.1-33.8000109.7
115L92.9Very high90Very high1 Ų182 Ų821%0.00545%0.445CS..EExtended strand (participates in β ladder)trans-76.1142.9171-73.5168.7000109.7L18 V79 A123 G126 I128L18-L115 HydrophobicContact CD2-CD1 3.31Å; V79-L115 HydrophobicContact CG2-CD1 4.3Å; V79-L115 HydrophobicContact CG2-CD2 4.01Å; L115-A123 HydrophobicContact CB-CB 3.78Å; L115-A123 WeakPolarHBondContact O-CB 3.11Å; L115-A123 PolarHBondContact O-N 2.92Å; L115-G126 PolarHBondContact N-O 2.87Å; L115-I128 HydrophobicContact CD2-CB 3.93Å; L115-I128 HydrophobicContact CD2-CG2 3.87Å; L115-I128 HydrophobicContact CG-CB 4.27Å; L115-I128 HydrophobicContact CG-CG2 4.38Å
116V93.9Very high89.9Confident48 Ų4882.2 Ų82.229%0.29145%0.446SS..EExtended strand (participates in β ladder)trans-121145.9175.8-64.20000110.7G96 E97 R121G96-V116 CarbonylContact C-O 3.56Å; G96-V116 VanDerWaalsContact CA-O 3.29Å; G96-V116 WeakPolarHBondContact CA-O 3.16Å; E97-V116 HydrophobicContact CG-CG2 4.15Å; E97-V116 PolarHBondContact N-O 2.93Å; E97-V116 VanDerWaalsContact O-CG2 3.31Å; E97-V116 WeakPolarHBondContact O-CG2 3.44Å; E97-V116 PolarHBondContact O-N 3.34Å; V116-R121 CarbonylContact C-O 3.56Å; V116-R121 WeakPolarHBondContact CA-O 3.07Å
117M89.6Confident90.1Very high37 Ų3781.4 Ų81.418%0.18244%0.443CS..  trans-72.8163.4171.9-67.6-66.417500110L19 F94 T119 G120 R121 A123L19-M117 HydrophobicContact CD2-CE 3.84Å; F94-M117 HydrophobicContact CD1-SD 3.99Å; F94-M117 HydrophobicContact CE1-SD 4.45Å; M117-T119 PolarHBondContact O-N 2.84Å; M117-G120 WeakPolarHBondContact O-CA 3.5Å; M117-G120 PolarHBondContact O-N 3.28Å; M117-R121 PolarHBondContact N-O 2.93Å; M117-A123 HydrophobicContact CE-CB 3.66Å; M117-A123 HydrophobicContact CG-CB 4.13Å; M117-A123 HydrophobicContact SD-CB 4.22Å
118K84.8Confident90.4Very high149 Ų14976.5 Ų76.565%0.64841%0.408SS*.THydrogen-bonded Turntrans-55.3-20.8173.6-64.3-177.4-179174.80113.6F94 G120F94-K118 HydrophobicContact CD1-CG 4.07Å; F94-K118 HydrophobicContact CE1-CG 3.72Å; F94-K118 HydrophobicContact CZ-CG 3.96Å; K118-G120 VanDerWaalsContact C-N 3.29Å
119T82.6Confident90.7Very high109 Ų10974.1 Ų74.167%0.66939%0.391SS*.THydrogen-bonded Turntrans-83.2-0.617658.50000113.8M117 R121M117-T119 PolarHBondContact O-N 2.84Å; T119-R121 PolarHBondContact O-N 2.77Å
120G81.8Confident91Very high57 Ų5766.7 Ų66.759%0.58836%0.359SS*.SBendtrans78.4-1.6-17600000114.8M117 K118M117-G120 WeakPolarHBondContact O-CA 3.5Å; M117-G120 PolarHBondContact O-N 3.28Å; K118-G120 VanDerWaalsContact C-N 3.29Å
121R87.1Confident91.1Very high186 Ų18662.2 Ų62.270%0.70234%0.344SS*.SBendtrans-77.4150.6175.9-64.5-176.5-177.9175.70.9110.8V116 M117 T119 A123V116-R121 CarbonylContact C-O 3.56Å; V116-R121 WeakPolarHBondContact CA-O 3.07Å; M117-R121 PolarHBondContact N-O 2.93Å; T119-R121 PolarHBondContact O-N 2.77Å; R121-A123 PolarHBondContact O-N 3.47Å
122P87.5Confident91Very high98 Ų9862.1 Ų62.164%0.63635%0.346SS*.EExtended strand (participates in β ladder)trans-55.8134173.3-2433.8000111.9G124P122-G124 PolarHBondContact O-N 3.46Å
123A87.8Confident90.9Very high1 Ų164.3 Ų64.31%0.00835%0.35CS..EExtended strand (participates in β ladder)trans-79.860.9175.500000111.3L95 L115 M117 R121 K125 G126L95-A123 VanDerWaalsContact O-CB 3.22Å; L95-A123 WeakPolarHBondContact O-CB 3.25Å; L115-A123 HydrophobicContact CB-CB 3.78Å; L115-A123 WeakPolarHBondContact O-CB 3.11Å; L115-A123 PolarHBondContact O-N 2.92Å; M117-A123 HydrophobicContact CE-CB 3.66Å; M117-A123 HydrophobicContact CG-CB 4.13Å; M117-A123 HydrophobicContact SD-CB 4.22Å; R121-A123 PolarHBondContact O-N 3.47Å; A123-K125 PolarHBondContact O-N 3.3Å; A123-G126 PolarHBondContact O-N 2.66Å
124G87.1Confident90.7Very high49 Ų4964.4 Ų64.451%0.50536%0.355SS..EExtended strand (participates in β ladder)trans65.6-127.9-173.700000112P122P122-G124 PolarHBondContact O-N 3.46Å
125K89.4Confident90.4Very high185 Ų18563.3 Ų63.380%0.80434%0.344SS*.EExtended strand (participates in β ladder)trans-101.77.2176.9-63.7178.2176.9173.70112.6N17 A123N17-K125 HydrophobicContact CB-CB 4.15Å; N17-K125 WeakPolarHBondContact CB-O 3.48Å; N17-K125 CarbonylContact O-C 3.25Å; A123-K125 PolarHBondContact O-N 3.3Å
126G92.1Very high89.6Confident3 Ų371 Ų713%0.03138%0.378CS..EExtended strand (participates in β ladder)trans-62.4136.6-176.800000111.9A16 N17 L115 A123A16-G126 CarbonylContact O-C 3.54Å; A16-G126 WeakPolarHBondContact O-CA 3Å; N17-G126 WeakPolarHBondContact O-CA 3.18Å; N17-G126 PolarHBondContact O-N 3.39Å; N17-G126 VanDerWaalsContact O-N 3.09Å; L115-G126 PolarHBondContact N-O 2.87Å; A123-G126 PolarHBondContact O-N 2.66Å
127S95.2Very high88Confident27 Ų2774.9 Ų74.919%0.18940%0.397CS..EExtended strand (participates in β ladder)trans-136.6151.6172.960.40000110.4C15 A16 R113C15-S127 CarbonylContact C-O 3.48Å; C15-S127 WeakPolarHBondContact CA-O 3.32Å; C15-S127 WeakPolarHBondContact CB-O 3.1Å; A16-S127 PolarHBondContact N-O 2.91Å; A16-S127 PolarHBondContact O-N 3.35Å; R113-S127 CarbonylContact O-C 3.52Å; R113-S127 VanDerWaalsContact O-CA 3.31Å; R113-S127 WeakPolarHBondContact O-CA 3.21Å; R113-S127 WeakPolarHBondContact O-CB 3.08Å
128I95.4Very high86.1Confident0 Ų080.6 Ų80.60%043%0.428CS..EExtended strand (participates in β ladder)trans-118.7139.8175.3-170.2174.1000109.2V13 S14 F77 V79 C98 T112 R113 L115 I130V13-I128 HydrophobicContact CG1-CD1 3.64Å; V13-I128 HydrophobicContact CG1-CG1 3.74Å; S14-I128 CarbonylContact O-C 3.54Å; S14-I128 WeakPolarHBondContact O-CA 3.26Å; F77-I128 HydrophobicContact CB-CD1 3.48Å; F77-I128 VanDerWaalsContact CB-CD1 3.48Å; F77-I128 HydrophobicContact CD1-CD1 4.39Å; F77-I128 HydrophobicContact CG-CD1 4.02Å; V79-I128 HydrophobicContact CG2-CD1 4.36Å; C98-I128 HydrophobicContact CB-CG2 3.42Å; C98-I128 VanDerWaalsContact CB-CG2 3.42Å; T112-I128 CarbonylContact C-O 3.58Å; T112-I128 WeakPolarHBondContact CA-O 3.15Å; R113-I128 HydrophobicContact CB-CG2 4.47Å; R113-I128 PolarHBondContact N-O 3.35Å; R113-I128 PolarHBondContact O-N 3.01Å; L115-I128 HydrophobicContact CD2-CB 3.93Å; L115-I128 HydrophobicContact CD2-CG2 3.87Å; L115-I128 HydrophobicContact CG-CB 4.27Å; L115-I128 HydrophobicContact CG-CG2 4.38Å; I128-I130 HydrophobicContact CB-CD1 4.49Å; I128-I130 HydrophobicContact CD1-CD1 4.21Å; I128-I130 HydrophobicContact CD1-CG1 4.44Å; I128-I130 HydrophobicContact CG1-CD1 3.95Å; I128-I130 HydrophobicContact CG1-CG1 4.33Å; I128-I130 HydrophobicContact CG2-CD1 3.99Å
129T96.4Very high84.3Confident20 Ų2086.7 Ų86.712%0.12345%0.447CS..EExtended strand (participates in β ladder)trans-123.2122.4176.8-65.40000108.6V13 S14 K110 L111 T112V13-T129 WeakPolarHBondContact CA-O 3.18Å; S14-T129 PolarHBondContact N-O 3.04Å; S14-T129 PolarHBondContact O-N 3.38Å; S14-T129 PolarHBondContact OG-O 3.16Å; K110-T129 HydrophobicContact CD-CG2 4.21Å; K110-T129 HydrophobicContact CG-CG2 3.92Å; L111-T129 CarbonylContact O-C 3.49Å; L111-T129 WeakPolarHBondContact O-CA 3.28Å; T112-T129 WeakPolarHBondContact CG2-OG1 3.3Å; T112-T129 WeakPolarHBondContact OG1-CG2 3.23Å; T112-T129 PolarHBondContact OG1-OG1 3.29Å
130I95.9Very high84.4Confident0 Ų085.6 Ų85.60%044%0.436CS..EExtended strand (participates in β ladder)trans-115.6125.4178.8-5190.3000108.2L11 N12 V13 F77 I105 K110 L111 I128L11-I130 HydrophobicContact CB-CG2 4.29Å; N12-I130 CarbonylContact O-C 3.56Å; N12-I130 VanDerWaalsContact O-CA 3.29Å; N12-I130 WeakPolarHBondContact O-CA 3.24Å; V13-I130 HydrophobicContact CG2-CG1 4.3Å; V13-I130 HydrophobicContact CG2-CG2 4.33Å; F77-I130 HydrophobicContact CD1-CG1 4.34Å; F77-I130 HydrophobicContact CD2-CD1 4.32Å; F77-I130 HydrophobicContact CD2-CG1 4.17Å; F77-I130 HydrophobicContact CE1-CG1 4.11Å; F77-I130 HydrophobicContact CE1-CG2 4.25Å; F77-I130 HydrophobicContact CE2-CD1 4.4Å; F77-I130 HydrophobicContact CE2-CG1 3.95Å; F77-I130 HydrophobicContact CE2-CG2 4.47Å; F77-I130 HydrophobicContact CG-CG1 4.38Å; F77-I130 HydrophobicContact CZ-CG1 3.92Å; F77-I130 HydrophobicContact CZ-CG2 3.84Å; I105-I130 HydrophobicContact CD1-CG2 3.94Å; I105-I130 HydrophobicContact CG2-CB 4.39Å; I105-I130 HydrophobicContact CG2-CG2 3.95Å; K110-I130 CarbonylContact C-O 3.56Å; K110-I130 WeakPolarHBondContact CA-O 2.82Å; L111-I130 PolarHBondContact N-O 3.34Å; L111-I130 PolarHBondContact O-N 2.77Å; I128-I130 HydrophobicContact CB-CD1 4.49Å; I128-I130 HydrophobicContact CD1-CD1 4.21Å; I128-I130 HydrophobicContact CD1-CG1 4.44Å; I128-I130 HydrophobicContact CG1-CD1 3.95Å; I128-I130 HydrophobicContact CG1-CG1 4.33Å; I128-I130 HydrophobicContact CG2-CD1 3.99Å
131S94.7Very high84.5Confident37 Ų3787.1 Ų87.126%0.25943%0.428SS..EExtended strand (participates in β ladder)trans-112.6143.117151.60000110.9L11 N12 K109L11-S131 CarbonylContact C-O 3.47Å; L11-S131 VanDerWaalsContact CA-O 3.26Å; L11-S131 WeakPolarHBondContact CA-O 3.45Å; N12-S131 PolarHBondContact N-O 2.67Å; N12-S131 PolarHBondContact O-N 2.7Å; K109-S131 CarbonylContact O-C 3.57Å; K109-S131 VanDerWaalsContact O-CA 3.22Å; K109-S131 WeakPolarHBondContact O-CA 3.43Å
132A93.4Very high84.3Confident14 Ų1481.6 Ų81.612%0.11641%0.412CS..EExtended strand (participates in β ladder)trans-112.2129177.600000110.2V9 A10 L11 I105 V106 K109V9-A132 HydrophobicContact CG1-CB 3.63Å; A10-A132 CarbonylContact O-C 3.59Å; A10-A132 WeakPolarHBondContact O-CA 3.17Å; L11-A132 HydrophobicContact CD2-CB 3.71Å; I105-A132 HydrophobicContact CB-CB 4.44Å; I105-A132 HydrophobicContact CG2-CB 3.63Å; V106-A132 HydrophobicContact CG2-CB 4.35Å; K109-A132 PolarHBondContact O-N 3.27Å
133E92.5Very high84.2Confident124 Ų12480.6 Ų80.658%0.57940%0.399SS*.EExtended strand (participates in β ladder)trans-119.5130.1171.5-62.5-168.7142.100109.4V9 A10 I135V9-E133 CarbonylContact C-O 3.59Å; V9-E133 WeakPolarHBondContact CA-O 3.46Å; A10-E133 HydrophobicContact CB-CB 4.37Å; A10-E133 PolarHBondContact N-O 2.8Å; A10-E133 PolarHBondContact O-N 3.24Å; E133-I135 PolarHBondContact O-N 3.13Å
134E89.6Confident83.9Confident118 Ų11885.6 Ų85.655%0.55142%0.424SS*.EExtended strand (participates in β ladder)trans-73.7124.4175-174.417688.400109.7T7 K136T7-E134 HydrophobicContact CG2-CG 3.47Å; T7-E134 VanDerWaalsContact CG2-CG 3.47Å; T7-E134 WeakPolarHBondContact CG2-OE2 3.16Å; E134-K136 PolarHBondContact O-N 2.87Å
135I88.8Confident83.7Confident67 Ų6788 Ų8834%0.34442%0.418SS..  trans-83.2101.2174.6-55.8177.5000106.9K8 A10 I64 E133 D137K8-I135 HydrophobicContact CB-CB 4.01Å; K8-I135 HydrophobicContact CB-CD1 4.33Å; K8-I135 PolarHBondContact O-N 3.39Å; A10-I135 HydrophobicContact CB-CD1 3.87Å; A10-I135 HydrophobicContact CB-CG1 3.82Å; I64-I135 HydrophobicContact CD1-CD1 4.2Å; I64-I135 HydrophobicContact CG1-CD1 4.04Å; I64-I135 HydrophobicContact CG2-CD1 3.86Å; E133-I135 PolarHBondContact O-N 3.13Å; I135-D137 PolarHBondContact O-N 3.16Å
136K76.9Confident83.3Confident163 Ų16381.1 Ų81.171%0.70939%0.391SS*.  trans-76.5114171.2-65-175.3179.9-175.90108.5E134 N138E134-K136 PolarHBondContact O-N 2.87Å; K136-N138 VanDerWaalsContact C-N 3.25Å; K136-N138 PolarHBondContact O-N 3.05Å
137D58.5Low82.6Confident129 Ų12987.1 Ų87.169%0.6942%0.418SS*.  trans-6790167.8-156.7-110.4000107.2I135 R139I135-D137 PolarHBondContact O-N 3.16Å; D137-R139 PolarHBondContact O-N 2.67Å; D137-R139 WeakPolarHBondContact OD1-CG 3.44Å; D137-R139 IonicContact OD1-NE 2.7Å; D137-R139 PolarHBondContact OD1-NE 2.6Å
138N51.3Low81.6Confident156 Ų15692.1 Ų92.183%0.83444%0.437SS*.  trans-80.177.8175.6-165.880.9000108.3K136K136-N138 VanDerWaalsContact C-N 3.25Å; K136-N138 PolarHBondContact O-N 3.05Å
139R45.6Very low80.3Confident277 Ų277100.5 Ų100.5100%1.04548%0.477SS*.  trans-63.70162.6-83.4177.6-179.4-171.2-4.9111.4D137D137-R139 PolarHBondContact O-N 2.67Å; D137-R139 WeakPolarHBondContact OD1-CG 3.44Å; D137-R139 IonicContact OD1-NE 2.7Å; D137-R139 PolarHBondContact OD1-NE 2.6Å

Retrieved 139 of 139 residues in 80 ms (Link to these results)

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