G4VQR9_SCHMA Loading...

Large ribosomal subunit protein eL30

AlphaFold DB , UniProt , Accession G4VQR9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 121 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
1M56.3Low50.6Low251 Ų251125.7 Ų125.7100%1.23681%0.813SS**  094.30-151.7158.2124.900106.7
2A56.3Low49.9Very low95 Ų95129.6 Ų129.679%0.78581%0.808SS**  trans-83.2142.4-164.500000112.4
3P62Low49.8Very low130 Ų130133.2 Ų133.284%0.84481%0.805SS**  trans-78.7140.4179.232.5-31.9000111
4T56.9Low50Low132 Ų132127.8 Ų127.881%0.8178%0.781SS**  trans-86.3113.7178.442.60000110.5
5A47.7Very low50.5Low106 Ų106128.8 Ų128.888%0.87677%0.77SS**  trans-80.6115.7169.400000110.1
6K51.4Low51.4Low189 Ų189123.9 Ų123.982%0.82275%0.749SS**  trans-126.2109.4170.3-83-175.8177.5178.10112.2
7S40.7Very low52.1Low105 Ų105119.6 Ų119.673%0.73472%0.72SS**  trans62104.6141.962.80000121.3
8A47.8Very low53.1Low98 Ų98120.1 Ų120.181%0.8171%0.713SS**  trans-101.922.9167.700000114.2
9T48.8Very low54.4Low116 Ų116117.4 Ų117.471%0.71270%0.701SS**  trans-95.5-3.2-169.437.30000115.8
10G43.9Very low56Low64 Ų64112.6 Ų112.666%0.6667%0.672SS**SBendtrans-77.6-25.9-179.100000116K12G10-K12 PolarHBondContact O-N 3.5Å
11C44.7Very low57.5Low97 Ų97109.1 Ų109.166%0.65565%0.65SS**Hα-helixtrans-78.1-12.3-169.4-1020000115.7
12K42.7Very low58.9Low172 Ų172100.8 Ų100.875%0.74862%0.616SS**Hα-helixtrans-77.3-28.5-176.6-65.4-176-178.8-179.70113.3G10G10-K12 PolarHBondContact O-N 3.5Å
13K48.5Very low60.4Low177 Ų17797.5 Ų97.577%0.7759%0.587SS**Hα-helixtrans-75.9-36.1-176.6-69.3-175.7179.6-179.10113.4A16 L17K13-A16 PolarHBondContact O-N 3.17Å; K13-L17 PolarHBondContact O-N 3.31Å
14A51.6Low61.7Low57 Ų5791.3 Ų91.347%0.47155%0.547SS..Hα-helixtrans-65.5-44.1178.300000111.6A16 L17 E18A14-A16 VanDerWaalsContact C-N 3.3Å; A14-A16 PolarHBondContact O-N 3.49Å; A14-L17 PolarHBondContact O-N 3.07Å; A14-E18 PolarHBondContact O-N 2.97Å
15K57.5Low63.2Low143 Ų14386.9 Ų86.962%0.62252%0.523SS*.Hα-helixtrans-59.7-38.7177.6-66.5-174.5178.1-174.10112.7S19K15-S19 PolarHBondContact O-N 3.03Å; K15-S19 VanDerWaalsContact O-N 3.12Å; K15-S19 PolarHBondContact O-OG 2.96Å; K15-S19 VanDerWaalsContact O-OG 3.05Å
16A65.1Low65.2Low51 Ų5185.9 Ų85.942%0.42150%0.503SS..Hα-helixtrans-65.8-38.2179.200000112.7K13 A14 S19 I20K13-A16 PolarHBondContact O-N 3.17Å; A14-A16 VanDerWaalsContact C-N 3.3Å; A14-A16 PolarHBondContact O-N 3.49Å; A16-S19 PolarHBondContact O-N 3.42Å; A16-I20 WeakPolarHBondContact O-CD1 3.39Å; A16-I20 WeakPolarHBondContact O-CG1 3.47Å; A16-I20 PolarHBondContact O-N 3.41Å; A16-I20 VanDerWaalsContact O-N 3.12Å
17L64.5Low67.1Low51 Ų5176.9 Ų76.927%0.26746%0.464SS..Hα-helixtrans-68.4-42.3179.4-168.3117.5000111.9K13 A14 S19 I20 N21 Y80 N81K13-L17 PolarHBondContact O-N 3.31Å; A14-L17 PolarHBondContact O-N 3.07Å; L17-S19 VanDerWaalsContact C-N 3.31Å; L17-S19 PolarHBondContact O-N 3.06Å; L17-I20 PolarHBondContact O-N 2.75Å; L17-N21 PolarHBondContact O-N 2.75Å; L17-N21 VanDerWaalsContact O-N 3.09Å; L17-N21 PolarHBondContact O-ND2 2.91Å; L17-Y80 HydrophobicContact CD1-CE2 4.23Å; L17-Y80 HydrophobicContact CG-CE2 4.35Å; L17-N81 HydrophobicContact CD1-CB 3.78Å
18E69.1Low69.4Low127 Ų12774.2 Ų74.259%0.59344%0.44SS*.Hα-helixtrans-61.7-39.3175.1-73.1173.7-175.900111.9A14 N21 S22A14-E18 PolarHBondContact O-N 2.97Å; E18-N21 PolarHBondContact O-N 3.31Å; E18-S22 PolarHBondContact O-N 3.12Å; E18-S22 VanDerWaalsContact O-N 3.13Å; E18-S22 PolarHBondContact O-OG 2.93Å
19S78.7Confident71.4Confident70 Ų7078 Ų7849%0.4944%0.439SS..Hα-helixtrans-62.1-45.1174.5-62.40000112K15 A16 L17 N21 S22 C23K15-S19 PolarHBondContact O-N 3.03Å; K15-S19 VanDerWaalsContact O-N 3.12Å; K15-S19 PolarHBondContact O-OG 2.96Å; K15-S19 VanDerWaalsContact O-OG 3.05Å; A16-S19 PolarHBondContact O-N 3.42Å; L17-S19 VanDerWaalsContact C-N 3.31Å; L17-S19 PolarHBondContact O-N 3.06Å; S19-N21 VanDerWaalsContact C-N 3.35Å; S19-N21 PolarHBondContact O-N 3.23Å; S19-S22 PolarHBondContact O-N 3.2Å; S19-C23 PolarHBondContact O-N 3.4Å; S19-C23 PolarHBondContact O-SG 3.46Å
20I85.1Confident73.4Confident21 Ų2175 Ų7511%0.10842%0.423CS..Hα-helixtrans-63.4-41.7179.7-65.9155.9000111.1A16 L17 S22 C23 L24 H78 Y80A16-I20 WeakPolarHBondContact O-CD1 3.39Å; A16-I20 WeakPolarHBondContact O-CG1 3.47Å; A16-I20 PolarHBondContact O-N 3.41Å; A16-I20 VanDerWaalsContact O-N 3.12Å; L17-I20 PolarHBondContact O-N 2.75Å; I20-S22 VanDerWaalsContact C-N 3.32Å; I20-S22 PolarHBondContact O-N 3.37Å; I20-C23 WeakPolarHBondContact O-CB 3.38Å; I20-C23 PolarHBondContact O-N 3.01Å; I20-L24 HydrophobicContact CG2-CD1 3.97Å; I20-L24 HydrophobicContact CG2-CG 4.3Å; I20-L24 WeakPolarHBondContact O-CG 3.24Å; I20-L24 PolarHBondContact O-N 2.82Å; I20-H78 VanDerWaalsContact CD1-NE2 3.26Å; I20-H78 WeakPolarHBondContact CD1-NE2 3.48Å; I20-Y80 HydrophobicContact CG2-CD2 4.27Å; I20-Y80 HydrophobicContact CG2-CE2 4.39Å
21N87.9Confident75.6Confident40 Ų4073 Ų7321%0.21440%0.402CS..Hα-helixtrans-62.8-41179-69.7-18.1000112.1L17 E18 S19 L24 A25 Y80 A90L17-N21 PolarHBondContact O-N 2.75Å; L17-N21 VanDerWaalsContact O-N 3.09Å; L17-N21 PolarHBondContact O-ND2 2.91Å; E18-N21 PolarHBondContact O-N 3.31Å; S19-N21 VanDerWaalsContact C-N 3.35Å; S19-N21 PolarHBondContact O-N 3.23Å; N21-L24 PolarHBondContact O-N 3.12Å; N21-A25 PolarHBondContact O-N 3.27Å; N21-Y80 PolarHBondContact ND2-OH 3.31Å; N21-Y80 VanDerWaalsContact OD1-CE2 3.24Å; N21-Y80 WeakPolarHBondContact OD1-CE2 3.48Å; N21-Y80 PolarHBondContact OD1-OH 2.85Å; N21-A90 HydrophobicContact CB-CB 4.17Å; N21-A90 WeakPolarHBondContact OD1-CB 3.47Å
22S86.7Confident77.8Confident75 Ų7574.4 Ų74.452%0.52440%0.397SS..Hα-helixtrans-64.6-43.5175.4-55.70000111.3E18 S19 I20 L24 A25 L26E18-S22 PolarHBondContact O-N 3.12Å; E18-S22 VanDerWaalsContact O-N 3.13Å; E18-S22 PolarHBondContact O-OG 2.93Å; S19-S22 PolarHBondContact O-N 3.2Å; I20-S22 VanDerWaalsContact C-N 3.32Å; I20-S22 PolarHBondContact O-N 3.37Å; S22-L24 VanDerWaalsContact C-N 3.34Å; S22-L24 PolarHBondContact O-N 3.48Å; S22-A25 PolarHBondContact O-N 3.46Å; S22-L26 PolarHBondContact O-N 3.49Å; S22-L26 VanDerWaalsContact O-N 3.15Å
23C86.9Confident80.2Confident26 Ų2667.8 Ų67.818%0.17637%0.372CS..Hα-helixtrans-59.5-43.6173.7-67.50000111.6S19 I20 A25 L26 V27 I110S19-C23 PolarHBondContact O-N 3.4Å; S19-C23 PolarHBondContact O-SG 3.46Å; I20-C23 WeakPolarHBondContact O-CB 3.38Å; I20-C23 PolarHBondContact O-N 3.01Å; C23-A25 PolarHBondContact O-N 3.2Å; C23-L26 WeakPolarHBondContact O-CB 3.24Å; C23-L26 PolarHBondContact O-N 2.92Å; C23-V27 WeakPolarHBondContact O-CG2 3.24Å; C23-V27 PolarHBondContact O-N 2.91Å; C23-I110 HydrophobicContact CB-CB 4.07Å; C23-I110 HydrophobicContact CB-CD1 4.13Å; C23-I110 HydrophobicContact CB-CG1 4.18Å
24L89.2Confident82.3Confident1 Ų159.5 Ų59.51%0.00534%0.336CS..Hα-helixtrans-63.7-41.8179-73.5171.1000112.9I20 N21 S22 L26 V27 M28 I53 L87 A90 I102 I110I20-L24 HydrophobicContact CG2-CD1 3.97Å; I20-L24 HydrophobicContact CG2-CG 4.3Å; I20-L24 WeakPolarHBondContact O-CG 3.24Å; I20-L24 PolarHBondContact O-N 2.82Å; N21-L24 PolarHBondContact O-N 3.12Å; S22-L24 VanDerWaalsContact C-N 3.34Å; S22-L24 PolarHBondContact O-N 3.48Å; L24-L26 PolarHBondContact O-N 2.9Å; L24-V27 PolarHBondContact O-N 3.09Å; L24-M28 VanDerWaalsContact O-CG 3.3Å; L24-M28 WeakPolarHBondContact O-CG 3.36Å; L24-M28 PolarHBondContact O-N 3.26Å; L24-I53 HydrophobicContact CD1-CD1 4.39Å; L24-I53 HydrophobicContact CD2-CD1 3.4Å; L24-I53 VanDerWaalsContact CD2-CD1 3.4Å; L24-I53 HydrophobicContact CG-CD1 4.32Å; L24-L87 HydrophobicContact CD1-CD2 4.21Å; L24-A90 HydrophobicContact CD1-CB 4.27Å; L24-I102 HydrophobicContact CD2-CD1 4.49Å; L24-I110 HydrophobicContact CD2-CD1 3.67Å; L24-I110 HydrophobicContact CG-CD1 4.01Å
25A88.9Confident84.2Confident38 Ų3858.6 Ų58.631%0.31432%0.323SS..Hα-helixtrans-61.7-34.5175.300000112.1N21 S22 C23 K29N21-A25 PolarHBondContact O-N 3.27Å; S22-A25 PolarHBondContact O-N 3.46Å; C23-A25 PolarHBondContact O-N 3.2Å; A25-K29 WeakPolarHBondContact O-CG 3.5Å
26L89.8Confident85.8Confident85 Ų8552.9 Ų52.945%0.44530%0.304SS..Hα-helixtrans-70.7-45.4173.6-69.7174.7000112.1S22 C23 L24 M28 K29 S30S22-L26 PolarHBondContact O-N 3.49Å; S22-L26 VanDerWaalsContact O-N 3.15Å; C23-L26 WeakPolarHBondContact O-CB 3.24Å; C23-L26 PolarHBondContact O-N 2.92Å; L24-L26 PolarHBondContact O-N 2.9Å; L26-M28 PolarHBondContact O-N 3.29Å; L26-K29 PolarHBondContact O-N 3Å; L26-S30 PolarHBondContact O-N 3Å; L26-S30 PolarHBondContact O-OG 3.25Å; L26-S30 VanDerWaalsContact O-OG 3.1Å
27V91.1Very high87.1Confident0 Ų052.3 Ų52.30%029%0.294CS..Hα-helixtrans-58.6-36.5178.3-1610000110.6C23 L24 K29 G31 C33 I102 S108 I110C23-V27 WeakPolarHBondContact O-CG2 3.24Å; C23-V27 PolarHBondContact O-N 2.91Å; L24-V27 PolarHBondContact O-N 3.09Å; V27-K29 PolarHBondContact O-N 3.49Å; V27-G31 CarbonylContact O-C 3.59Å; V27-G31 WeakPolarHBondContact O-CA 2.94Å; V27-G31 PolarHBondContact O-N 3.26Å; V27-C33 WeakPolarHBondContact CG1-SG 3.3Å; V27-I102 HydrophobicContact CG1-CG1 4.38Å; V27-I102 HydrophobicContact CG1-CG2 3.95Å; V27-S108 WeakPolarHBondContact CG2-OG 3.39Å; V27-I110 HydrophobicContact CG2-CD1 4.47Å; V27-I110 HydrophobicContact CG2-CG2 4.12Å
28M89.8Confident88.4Confident49 Ų4960.8 Ų60.824%0.24132%0.322CS..Hα-helixtrans-66-22.8176.5-72.7-70.1148.300114.2L24 L26 C33 I35 C91 L100L24-M28 VanDerWaalsContact O-CG 3.3Å; L24-M28 WeakPolarHBondContact O-CG 3.36Å; L24-M28 PolarHBondContact O-N 3.26Å; L26-M28 PolarHBondContact O-N 3.29Å; M28-C33 HydrophobicContact CE-CB 3.55Å; M28-C33 HydrophobicContact SD-CB 4.47Å; M28-I35 HydrophobicContact CE-CD1 4.18Å; M28-I35 HydrophobicContact CE-CG1 4.45Å; M28-I35 HydrophobicContact SD-CD1 4.44Å; M28-C91 HydrophobicContact CE-CB 3.98Å; M28-C91 HydrophobicContact CG-CB 4.07Å; M28-C91 WeakPolarHBondContact CG-O 3.48Å; M28-C91 HydrophobicContact SD-CB 4.22Å; M28-L100 HydrophobicContact CE-CD1 3.38Å; M28-L100 HydrophobicContact CE-CG 4.47Å
29K89.9Confident89.6Confident178 Ų17859.2 Ų59.277%0.77432%0.315SS*.Hα-helixtrans-93.1-47.6179.8-69.5175.4-177.7179.70112.4A25 L26 V27A25-K29 WeakPolarHBondContact O-CG 3.5Å; L26-K29 PolarHBondContact O-N 3Å; V27-K29 PolarHBondContact O-N 3.49Å
30S90.3Very high90.2Very high54 Ų5455.9 Ų55.938%0.37829%0.292SS..Hα-helixtrans-102.7-23-172.559.70000113.9L26 D107L26-S30 PolarHBondContact O-N 3Å; L26-S30 PolarHBondContact O-OG 3.25Å; L26-S30 VanDerWaalsContact O-OG 3.1Å; S30-D107 WeakPolarHBondContact CB-OD2 3.48Å; S30-D107 PolarHBondContact OG-N 3.41Å
31G88.8Confident90.6Very high21 Ų2155.6 Ų55.622%0.21629%0.291CS..SBendtrans-104.2-177.3-168.400000114.3V27 D104V27-G31 CarbonylContact O-C 3.59Å; V27-G31 WeakPolarHBondContact O-CA 2.94Å; V27-G31 PolarHBondContact O-N 3.26Å; G31-D104 VanDerWaalsContact CA-O 3.3Å; G31-D104 WeakPolarHBondContact CA-O 3.3Å
32K92.3Very high90.8Very high127 Ų12761.7 Ų61.755%0.55231%0.311SS*.EExtended strand (participates in β ladder)trans-114.9119.9172.5-63.4-174.8-165.1149.60109.8E103 D104K32-E103 HydrophobicContact CB-CB 4.23Å; K32-E103 PolarHBondContact O-N 3.28Å; K32-D104 HydrophobicContact CB-CB 4.03Å; K32-D104 WeakPolarHBondContact CD-OD2 3.42Å; K32-D104 HydrophobicContact CG-CB 4.34Å; K32-D104 PolarHBondContact N-O 2.96Å; K32-D104 IonicContact NZ-OD2 3.5Å; K32-D104 PolarHBondContact NZ-OD2 3.48Å; K32-D104 PolarHBondContact O-N 3.46Å; K32-D104 VanDerWaalsContact O-N 3.12Å
33C92Very high91.1Very high33 Ų3359 Ų5922%0.22329%0.29CS..EExtended strand (participates in β ladder)trans-128.9146179.7-70.20000110.8V27 M28 L100 A101V27-C33 WeakPolarHBondContact CG1-SG 3.3Å; M28-C33 HydrophobicContact CE-CB 3.55Å; M28-C33 HydrophobicContact SD-CB 4.47Å; C33-L100 HydrophobicContact CB-CD2 4.33Å; C33-A101 WeakPolarHBondContact CA-O 3.47Å
34S92.4Very high91.3Very high3 Ų358 Ų582%0.02128%0.283CS..EExtended strand (participates in β ladder)trans-116.9125.2175.5-84.90000109.4Q39 L43 A101 E103S34-Q39 VanDerWaalsContact CB-NE2 3.34Å; S34-Q39 PolarHBondContact OG-NE2 3.35Å; S34-L43 VanDerWaalsContact OG-CD1 3.3Å; S34-L43 WeakPolarHBondContact OG-CD1 3.35Å; S34-A101 PolarHBondContact N-O 3.37Å; S34-A101 PolarHBondContact O-N 3.31Å; S34-E103 PolarHBondContact OG-OE1 3.12Å
35I92.1Very high91.4Very high37 Ų3766.2 Ų66.219%0.1931%0.314CS..EExtended strand (participates in β ladder)trans-106.7132.2-171.8-56179.7000109.8M28 Q39 K93 F95 V97 L100M28-I35 HydrophobicContact CE-CD1 4.18Å; M28-I35 HydrophobicContact CE-CG1 4.45Å; M28-I35 HydrophobicContact SD-CD1 4.44Å; I35-Q39 PolarHBondContact O-OE1 3.31Å; I35-K93 HydrophobicContact CD1-CG 4.13Å; I35-F95 HydrophobicContact CD1-CZ 4.38Å; I35-F95 HydrophobicContact CG2-CE2 3.94Å; I35-F95 HydrophobicContact CG2-CZ 4.38Å; I35-V97 HydrophobicContact CG2-CB 4.19Å; I35-V97 HydrophobicContact CG2-CG1 3.62Å; I35-V97 HydrophobicContact CG2-CG2 3.55Å; I35-L100 HydrophobicContact CG1-CD1 3.95Å
36G92Very high91.5Very high23 Ų2371.6 Ų71.624%0.23733%0.33CS..SBendtrans94.3154.617300000114.9R38 Q39 T40 T99G36-R38 PolarHBondContact O-N 2.97Å; G36-Q39 PolarHBondContact O-N 3.29Å; G36-T40 WeakPolarHBondContact O-CG2 3.35Å; G36-T40 PolarHBondContact O-N 2.91Å; G36-T40 PolarHBondContact O-OG1 3.26Å; G36-T99 PolarHBondContact N-O 3.18Å
37L91.9Very high91.4Very high40 Ų4070 Ų7021%0.20933%0.334CS..Hα-helixtrans-58.4-45.7-167.3-177.4152.1000114.2Q39 T40 L41 R62 I66 T99L37-Q39 VanDerWaalsContact C-N 3.28Å; L37-Q39 PolarHBondContact O-N 2.62Å; L37-T40 WeakPolarHBondContact CA-OG1 3.16Å; L37-T40 PolarHBondContact O-N 2.88Å; L37-T40 PolarHBondContact O-OG1 3.1Å; L37-L41 HydrophobicContact CD2-CD1 3.48Å; L37-L41 VanDerWaalsContact CD2-CD1 3.48Å; L37-L41 HydrophobicContact CD2-CG 4.15Å; L37-L41 HydrophobicContact CG-CD1 4.25Å; L37-L41 HydrophobicContact CG-CG 4.47Å; L37-L41 WeakPolarHBondContact O-CB 3.46Å; L37-L41 WeakPolarHBondContact O-CG 3.24Å; L37-L41 PolarHBondContact O-N 2.82Å; L37-R62 HydrophobicContact CD1-CB 3.84Å; L37-R62 HydrophobicContact CD1-CG 3.63Å; L37-I66 HydrophobicContact CD1-CD1 4.43Å; L37-I66 HydrophobicContact CG-CD1 4.49Å; L37-T99 PolarHBondContact N-OG1 3.36Å
38R92.1Very high91.2Very high228 Ų22871.7 Ų71.786%0.8635%0.352SS*.Hα-helixtrans-62.6-39.2-178.5-67.3-176.2179.8-162.9-0.3111.6G36 R42G36-R38 PolarHBondContact O-N 2.97Å; R38-R42 WeakPolarHBondContact O-CB 3.3Å; R38-R42 PolarHBondContact O-N 2.86Å; R38-R42 VanDerWaalsContact O-N 3.12Å
39Q93.1Very high91.2Very high94 Ų9469.6 Ų69.644%0.43934%0.342SS..Hα-helixtrans-74.8-42.4-179.6-159.6174.1-2300110.8S34 I35 G36 L37 L41 R42 L43S34-Q39 VanDerWaalsContact CB-NE2 3.34Å; S34-Q39 PolarHBondContact OG-NE2 3.35Å; I35-Q39 PolarHBondContact O-OE1 3.31Å; G36-Q39 PolarHBondContact O-N 3.29Å; L37-Q39 VanDerWaalsContact C-N 3.28Å; L37-Q39 PolarHBondContact O-N 2.62Å; Q39-L41 PolarHBondContact O-N 3.1Å; Q39-R42 WeakPolarHBondContact O-CB 3.48Å; Q39-R42 PolarHBondContact O-N 3.48Å; Q39-L43 PolarHBondContact O-N 2.81Å
40T92.9Very high91.2Very high0 Ų068 Ų680%033%0.331CS..Hα-helixtrans-60.7-43.717558.90000111.8G36 L37 R42 L43 L44 A101G36-T40 WeakPolarHBondContact O-CG2 3.35Å; G36-T40 PolarHBondContact O-N 2.91Å; G36-T40 PolarHBondContact O-OG1 3.26Å; L37-T40 WeakPolarHBondContact CA-OG1 3.16Å; L37-T40 PolarHBondContact O-N 2.88Å; L37-T40 PolarHBondContact O-OG1 3.1Å; T40-R42 VanDerWaalsContact C-N 3.35Å; T40-R42 PolarHBondContact O-N 3.38Å; T40-L43 PolarHBondContact O-N 3.23Å; T40-L44 WeakPolarHBondContact O-CB 3.14Å; T40-L44 WeakPolarHBondContact O-CG 3.47Å; T40-L44 PolarHBondContact O-N 3.46Å; T40-A101 HydrophobicContact CG2-CB 3.55Å
41L92.4Very high91.3Very high16 Ų1665.6 Ų65.68%0.08431%0.314CS..Hα-helixtrans-63.1-38.9175.2-72.7-179.3000112.5L37 Q39 L43 L44 R45 E65 I66 Y69L37-L41 HydrophobicContact CD2-CD1 3.48Å; L37-L41 VanDerWaalsContact CD2-CD1 3.48Å; L37-L41 HydrophobicContact CD2-CG 4.15Å; L37-L41 HydrophobicContact CG-CD1 4.25Å; L37-L41 HydrophobicContact CG-CG 4.47Å; L37-L41 WeakPolarHBondContact O-CB 3.46Å; L37-L41 WeakPolarHBondContact O-CG 3.24Å; L37-L41 PolarHBondContact O-N 2.82Å; Q39-L41 PolarHBondContact O-N 3.1Å; L41-L43 VanDerWaalsContact C-N 3.33Å; L41-L43 PolarHBondContact O-N 3.2Å; L41-L44 HydrophobicContact CD2-CD1 4.28Å; L41-L44 PolarHBondContact O-N 2.86Å; L41-R45 VanDerWaalsContact O-CG 3.3Å; L41-R45 WeakPolarHBondContact O-CG 3.16Å; L41-R45 PolarHBondContact O-N 3.18Å; L41-E65 HydrophobicContact CD2-CG 4.42Å; L41-I66 HydrophobicContact CD2-CG1 4.43Å; L41-Y69 HydrophobicContact CD2-CD2 3.42Å; L41-Y69 VanDerWaalsContact CD2-CD2 3.42Å; L41-Y69 HydrophobicContact CD2-CE2 3.79Å; L41-Y69 HydrophobicContact CD2-CG 4.19Å
42R92.9Very high91.4Very high168 Ų16864.6 Ų64.663%0.63430%0.304SS*.Hα-helixtrans-63-40.3176.2-171.3180-173.8-171.21.3111.6R38 Q39 T40 K46R38-R42 WeakPolarHBondContact O-CB 3.3Å; R38-R42 PolarHBondContact O-N 2.86Å; R38-R42 VanDerWaalsContact O-N 3.12Å; Q39-R42 WeakPolarHBondContact O-CB 3.48Å; Q39-R42 PolarHBondContact O-N 3.48Å; T40-R42 VanDerWaalsContact C-N 3.35Å; T40-R42 PolarHBondContact O-N 3.38Å; R42-K46 WeakPolarHBondContact O-CG 3.4Å; R42-K46 PolarHBondContact O-N 2.91Å
43L92.7Very high91.4Very high17 Ų1758.6 Ų58.69%0.08928%0.278CS..Hα-helixtrans-71.7-42177.3-72.1-178.4000113.5S34 Q39 T40 L41 R45 K46 G47 G48 A49 A101 E103S34-L43 VanDerWaalsContact OG-CD1 3.3Å; S34-L43 WeakPolarHBondContact OG-CD1 3.35Å; Q39-L43 PolarHBondContact O-N 2.81Å; T40-L43 PolarHBondContact O-N 3.23Å; L41-L43 VanDerWaalsContact C-N 3.33Å; L41-L43 PolarHBondContact O-N 3.2Å; L43-R45 VanDerWaalsContact C-N 3.28Å; L43-R45 PolarHBondContact O-N 3.13Å; L43-K46 CarbonylContact O-C 3.57Å; L43-K46 WeakPolarHBondContact O-CA 3.37Å; L43-K46 PolarHBondContact O-N 3.15Å; L43-G47 PolarHBondContact O-N 2.82Å; L43-G48 PolarHBondContact O-N 3.34Å; L43-A49 HydrophobicContact CB-CB 4.28Å; L43-A101 HydrophobicContact CD1-CB 3.77Å; L43-E103 HydrophobicContact CD1-CG 3.48Å; L43-E103 VanDerWaalsContact CD1-CG 3.48Å; L43-E103 VanDerWaalsContact CD1-OE1 3.24Å; L43-E103 WeakPolarHBondContact CD1-OE1 3.4Å; L43-E103 HydrophobicContact CD2-CG 3.96Å; L43-E103 VanDerWaalsContact CD2-OE1 3.24Å; L43-E103 WeakPolarHBondContact CD2-OE1 3.39Å; L43-E103 HydrophobicContact CG-CG 4.32Å
44L91.5Very high91.5Very high7 Ų757 Ų574%0.03727%0.267CS..Hα-helixtrans-54.1-47.9174.7-86.6166.3000110.9T40 L41 K46 G47 I52 I66 A70 S73T40-L44 WeakPolarHBondContact O-CB 3.14Å; T40-L44 WeakPolarHBondContact O-CG 3.47Å; T40-L44 PolarHBondContact O-N 3.46Å; L41-L44 HydrophobicContact CD2-CD1 4.28Å; L41-L44 PolarHBondContact O-N 2.86Å; L44-K46 VanDerWaalsContact C-N 3.26Å; L44-K46 PolarHBondContact O-N 3.33Å; L44-G47 PolarHBondContact O-N 3.49Å; L44-I52 HydrophobicContact CD1-CD1 3.76Å; L44-I52 HydrophobicContact CD2-CD1 3.31Å; L44-I52 HydrophobicContact CG-CD1 3.69Å; L44-I66 HydrophobicContact CD1-CG2 4.25Å; L44-A70 HydrophobicContact CD2-CB 4.09Å; L44-S73 WeakPolarHBondContact CD2-OG 3.19Å
45R89.9Confident91.5Very high173 Ų17357 Ų5765%0.65327%0.267SS*.Hα-helixtrans-63.1-29176.1-71.3175.3-178177.80.3113.8L41 L43 Y69L41-R45 VanDerWaalsContact O-CG 3.3Å; L41-R45 WeakPolarHBondContact O-CG 3.16Å; L41-R45 PolarHBondContact O-N 3.18Å; L43-R45 VanDerWaalsContact C-N 3.28Å; L43-R45 PolarHBondContact O-N 3.13Å; R45-Y69 PolarHBondContact NH2-OH 3.42Å
46K91.5Very high91.5Very high150 Ų15059.3 Ų59.365%0.65228%0.28SS*.Hα-helixtrans-83-14.2175.6-73.2-179174.9-167.80113.2R42 L43 L44 G48R42-K46 WeakPolarHBondContact O-CG 3.4Å; R42-K46 PolarHBondContact O-N 2.91Å; L43-K46 CarbonylContact O-C 3.57Å; L43-K46 WeakPolarHBondContact O-CA 3.37Å; L43-K46 PolarHBondContact O-N 3.15Å; L44-K46 VanDerWaalsContact C-N 3.26Å; L44-K46 PolarHBondContact O-N 3.33Å; K46-G48 VanDerWaalsContact C-N 3.28Å; K46-G48 PolarHBondContact O-N 2.89Å
47G87.3Confident91.5Very high51 Ų5162.2 Ų62.253%0.52629%0.29SS..THydrogen-bonded Turntrans7217.5-172.500000114.5L43 L44L43-G47 PolarHBondContact O-N 2.82Å; L44-G47 PolarHBondContact O-N 3.49Å
48G87.8Confident91.4Very high36 Ų3660.7 Ų60.737%0.37128%0.283SS..  trans-90.6-11.3-176.700000115L43 K46L43-G48 PolarHBondContact O-N 3.34Å; K46-G48 VanDerWaalsContact C-N 3.28Å; K46-G48 PolarHBondContact O-N 2.89Å
49A90.4Very high91.4Very high5 Ų552.1 Ų52.14%0.04126%0.257CS..  trans-80135.417800000109.9L43 I52 T75 A101L43-A49 HydrophobicContact CB-CB 4.28Å; A49-I52 HydrophobicContact CB-CG1 4.44Å; A49-T75 HydrophobicContact CB-CG2 4.42Å; A49-T75 WeakPolarHBondContact O-CG2 3.34Å; A49-A101 HydrophobicContact CB-CB 4.26Å
50R89.4Confident91.2Very high145 Ų14552.5 Ų52.555%0.54727%0.267SS..SBendtrans-99.2-38.8173.2-66.5-175.9176.6-171.90.3112.4G76 I102 E103 I111R50-G76 PolarHBondContact O-N 3.46Å; R50-I102 PolarHBondContact N-O 2.87Å; R50-E103 VanDerWaalsContact CD-O 3.24Å; R50-E103 WeakPolarHBondContact CD-O 3.41Å; R50-E103 WeakPolarHBondContact CG-O 3.24Å; R50-I111 HydrophobicContact CB-CD1 3.82Å; R50-I111 HydrophobicContact CG-CD1 4.46Å
51L91.2Very high91.2Very high4 Ų459.3 Ų59.32%0.02130%0.303CS..EExtended strand (participates in β ladder)trans-140.2138.9-179.9-177.866.3000110I53 G76 H78 I102 I110 A114L51-I53 HydrophobicContact CG-CG1 4.48Å; L51-G76 WeakPolarHBondContact CA-O 3.39Å; L51-H78 HydrophobicContact CD1-CB 4.22Å; L51-I102 HydrophobicContact CB-CB 4.35Å; L51-I102 HydrophobicContact CB-CD1 4.24Å; L51-I102 HydrophobicContact CD2-CD1 3.92Å; L51-I102 HydrophobicContact CG-CD1 4.33Å; L51-I102 PolarHBondContact N-O 3.09Å; L51-I102 PolarHBondContact O-N 3.46Å; L51-I110 HydrophobicContact CD2-CB 4.42Å; L51-I110 HydrophobicContact CD2-CD1 4.27Å; L51-I110 HydrophobicContact CD2-CG1 3.79Å; L51-I110 HydrophobicContact CD2-CG2 4.08Å; L51-A114 HydrophobicContact CD1-CB 3.75Å
52I92.3Very high91.1Very high0 Ų064.1 Ų64.10%032%0.32CS..EExtended strand (participates in β ladder)trans-118.9136.4175.7-65.4158.7000109.2L44 A49 I54 I66 A70 G76 V77 H78 L100 A101L44-I52 HydrophobicContact CD1-CD1 3.76Å; L44-I52 HydrophobicContact CD2-CD1 3.31Å; L44-I52 HydrophobicContact CG-CD1 3.69Å; A49-I52 HydrophobicContact CB-CG1 4.44Å; I52-I54 HydrophobicContact CG2-CG1 4.07Å; I52-I66 HydrophobicContact CD1-CG2 4.43Å; I52-I66 HydrophobicContact CG2-CG2 3.71Å; I52-A70 HydrophobicContact CD1-CB 3.87Å; I52-G76 PolarHBondContact N-O 3.4Å; I52-V77 CarbonylContact O-C 3.56Å; I52-V77 WeakPolarHBondContact O-CA 3.33Å; I52-H78 PolarHBondContact O-N 3.08Å; I52-L100 CarbonylContact C-O 3.52Å; I52-L100 WeakPolarHBondContact CA-O 3.5Å; I52-A101 HydrophobicContact CG1-CB 4.3Å
53I91.9Very high91.1Very high1 Ų158.1 Ų58.11%0.00530%0.299CS..EExtended strand (participates in β ladder)trans-118.4128179.1-61.5170.1000108.6L24 L51 H78 L87 T99 L100 I102 I110L24-I53 HydrophobicContact CD1-CD1 4.39Å; L24-I53 HydrophobicContact CD2-CD1 3.4Å; L24-I53 VanDerWaalsContact CD2-CD1 3.4Å; L24-I53 HydrophobicContact CG-CD1 4.32Å; L51-I53 HydrophobicContact CG-CG1 4.48Å; I53-H78 WeakPolarHBondContact CA-O 3.32Å; I53-H78 HydrophobicContact CG1-CB 4.28Å; I53-L87 HydrophobicContact CG2-CD1 4.22Å; I53-L87 HydrophobicContact CG2-CD2 4.02Å; I53-T99 WeakPolarHBondContact O-CA 3.34Å; I53-L100 PolarHBondContact N-O 2.87Å; I53-L100 PolarHBondContact O-N 2.97Å; I53-I102 HydrophobicContact CD1-CD1 3.87Å; I53-I110 HydrophobicContact CD1-CD1 3.84Å
54I93.1Very high91.1Very high0 Ų061.1 Ų61.10%032%0.318CS..EExtended strand (participates in β ladder)trans-119.1127.4-177-55.1179.7000108.4I52 A58 K63 I66 E67 V77 H78 Y80I52-I54 HydrophobicContact CG2-CG1 4.07Å; I54-A58 HydrophobicContact CG2-CB 4.02Å; I54-K63 HydrophobicContact CG2-CD 4.24Å; I54-K63 HydrophobicContact CG2-CG 3.83Å; I54-I66 HydrophobicContact CD1-CB 4.3Å; I54-I66 HydrophobicContact CD1-CG2 3.9Å; I54-I66 HydrophobicContact CG1-CG2 4.43Å; I54-E67 HydrophobicContact CD1-CG 4.35Å; I54-V77 HydrophobicContact CD1-CG1 3.62Å; I54-V77 HydrophobicContact CG1-CG1 4.17Å; I54-H78 PolarHBondContact N-O 3.24Å; I54-Y80 WeakPolarHBondContact O-CB 3.45Å; I54-Y80 PolarHBondContact O-N 3.02Å
55A93.3Very high91.1Very high1 Ų164.2 Ų64.21%0.00833%0.332CS..EExtended strand (participates in β ladder)trans-65.8152.5174.300000112.5N57 A58 K63 N84 L87 S98A55-N57 VanDerWaalsContact C-N 3.34Å; A55-N57 PolarHBondContact O-N 2.93Å; A55-A58 WeakPolarHBondContact O-CB 3.2Å; A55-A58 PolarHBondContact O-N 3.2Å; A55-K63 WeakPolarHBondContact O-CE 3.32Å; A55-N84 WeakPolarHBondContact CB-OD1 3.35Å; A55-L87 HydrophobicContact CB-CD1 3.6Å; A55-L87 HydrophobicContact CB-CG 4.42Å; A55-S98 WeakPolarHBondContact CB-O 3.5Å; A55-S98 PolarHBondContact N-O 3.45Å
56N91.4Very high91.2Very high86 Ų8656 Ų5646%0.4630%0.301SS..THydrogen-bonded Turntrans-63-38.9179.9-165.54.6000112.8A58 K63 Y80 N81 G82N56-A58 VanDerWaalsContact C-N 3.35Å; N56-A58 PolarHBondContact O-N 3.04Å; N56-K63 WeakPolarHBondContact O-CE 3.44Å; N56-K63 PolarHBondContact O-NZ 3.15Å; N56-Y80 WeakPolarHBondContact CB-O 3.2Å; N56-Y80 PolarHBondContact N-O 2.9Å; N56-Y80 VanDerWaalsContact N-O 3.1Å; N56-N81 WeakPolarHBondContact CB-O 3.27Å; N56-N81 PolarHBondContact ND2-O 3.32Å; N56-N81 VanDerWaalsContact ND2-O 3.09Å; N56-G82 VanDerWaalsContact CB-O 3.3Å; N56-G82 WeakPolarHBondContact CB-O 3.32Å; N56-G82 PolarHBondContact N-O 3.2Å
57N92.5Very high91.2Very high85 Ų8552 Ų5246%0.45529%0.285SS..THydrogen-bonded Turntrans-90.515.7-178.769.1-35.5000114.6A55 T83 N84A55-N57 VanDerWaalsContact C-N 3.34Å; A55-N57 PolarHBondContact O-N 2.93Å; N57-T83 WeakPolarHBondContact OD1-CA 3.33Å; N57-N84 PolarHBondContact OD1-N 3.25Å; N57-N84 PolarHBondContact OD1-OD1 3.32Å
58A89.9Confident91.5Very high7 Ų756.6 Ų56.66%0.05829%0.287CS..SBendtrans-65.3139.7171.900000110.8I54 A55 N56 K63I54-A58 HydrophobicContact CG2-CB 4.02Å; A55-A58 WeakPolarHBondContact O-CB 3.2Å; A55-A58 PolarHBondContact O-N 3.2Å; N56-A58 VanDerWaalsContact C-N 3.35Å; N56-A58 PolarHBondContact O-N 3.04Å; A58-K63 HydrophobicContact CB-CD 4.46Å; A58-K63 HydrophobicContact CB-CG 3.93Å; A58-K63 WeakPolarHBondContact O-CE 3.47Å
59P91.5Very high91.7Very high49 Ų4957.7 Ų57.732%0.31828%0.281SS..  trans-55.9139.1177.7-27.234.6000112.2L61 R62 K63P59-L61 VanDerWaalsContact C-N 3.29Å; P59-L61 PolarHBondContact O-N 3.27Å; P59-R62 HydrophobicContact CB-CG 4.43Å; P59-R62 PolarHBondContact O-N 2.95Å; P59-K63 PolarHBondContact O-N 3.15Å
60P90.7Very high91.8Very high101 Ų10157.5 Ų57.566%0.65628%0.279SS*.Hα-helixtrans-57.2-41.2-173.421.5-32.7000112.5R62 K63 T64P60-R62 VanDerWaalsContact C-N 3.25Å; P60-R62 PolarHBondContact O-N 3.37Å; P60-K63 WeakPolarHBondContact O-CB 3.37Å; P60-K63 PolarHBondContact O-N 3.18Å; P60-K63 VanDerWaalsContact O-N 3.11Å; P60-T64 PolarHBondContact O-N 3.12Å; P60-T64 PolarHBondContact O-OG1 3.47Å
61L91.8Very high91.8Very high143 Ų14358 Ų5875%0.74929%0.289SS*.Hα-helixtrans-56.6-35.5176.4-69.5167.5000113.7P59 T64 E65P59-L61 VanDerWaalsContact C-N 3.29Å; P59-L61 PolarHBondContact O-N 3.27Å; L61-T64 PolarHBondContact O-OG1 2.98Å; L61-E65 WeakPolarHBondContact O-CB 3.4Å; L61-E65 PolarHBondContact O-N 3.14Å
62R90.3Very high91.7Very high117 Ų11763.1 Ų63.144%0.44232%0.316SS..Hα-helixtrans-79.7-32.9179.1-66179-169.1152.87.9111.8L37 P59 P60 I66L37-R62 HydrophobicContact CD1-CB 3.84Å; L37-R62 HydrophobicContact CD1-CG 3.63Å; P59-R62 HydrophobicContact CB-CG 4.43Å; P59-R62 PolarHBondContact O-N 2.95Å; P60-R62 VanDerWaalsContact C-N 3.25Å; P60-R62 PolarHBondContact O-N 3.37Å; R62-I66 WeakPolarHBondContact O-CD1 3.03Å; R62-I66 VanDerWaalsContact O-CG1 3.27Å; R62-I66 WeakPolarHBondContact O-CG1 3.3Å; R62-I66 PolarHBondContact O-N 3.36Å; R62-I66 VanDerWaalsContact O-N 3.13Å
63K91.9Very high91.5Very high42 Ų4264.8 Ų64.818%0.18333%0.328CS..Hα-helixtrans-63.5-51.3175.7-63.5-169.8172170.60110I54 A55 N56 A58 P59 P60 E65 I66 E67I54-K63 HydrophobicContact CG2-CD 4.24Å; I54-K63 HydrophobicContact CG2-CG 3.83Å; A55-K63 WeakPolarHBondContact O-CE 3.32Å; N56-K63 WeakPolarHBondContact O-CE 3.44Å; N56-K63 PolarHBondContact O-NZ 3.15Å; A58-K63 HydrophobicContact CB-CD 4.46Å; A58-K63 HydrophobicContact CB-CG 3.93Å; A58-K63 WeakPolarHBondContact O-CE 3.47Å; P59-K63 PolarHBondContact O-N 3.15Å; P60-K63 WeakPolarHBondContact O-CB 3.37Å; P60-K63 PolarHBondContact O-N 3.18Å; P60-K63 VanDerWaalsContact O-N 3.11Å; K63-E65 VanDerWaalsContact C-N 3.33Å; K63-E65 PolarHBondContact O-N 3.5Å; K63-I66 PolarHBondContact O-N 3.46Å; K63-E67 WeakPolarHBondContact O-CB 3.41Å; K63-E67 VanDerWaalsContact O-CG 3.29Å; K63-E67 WeakPolarHBondContact O-CG 3.26Å; K63-E67 PolarHBondContact O-N 2.83Å
64T92.9Very high91.3Very high81 Ų8173.4 Ų73.450%0.49737%0.365SS..Hα-helixtrans-61.8-39.717954.20000112.4P60 L61 Y68P60-T64 PolarHBondContact O-N 3.12Å; P60-T64 PolarHBondContact O-OG1 3.47Å; L61-T64 PolarHBondContact O-OG1 2.98Å; T64-Y68 VanDerWaalsContact O-CB 3.26Å; T64-Y68 WeakPolarHBondContact O-CB 3.47Å; T64-Y68 PolarHBondContact O-N 2.77Å
65E92.3Very high91.1Very high71 Ų7174.3 Ų74.333%0.33237%0.371SS..Hα-helixtrans-59.6-48.4174.6-175.8-179-16600111.6L41 L61 K63 Y68 Y69L41-E65 HydrophobicContact CD2-CG 4.42Å; L61-E65 WeakPolarHBondContact O-CB 3.4Å; L61-E65 PolarHBondContact O-N 3.14Å; K63-E65 VanDerWaalsContact C-N 3.33Å; K63-E65 PolarHBondContact O-N 3.5Å; E65-Y68 PolarHBondContact O-N 2.83Å; E65-Y69 HydrophobicContact CG-CD2 4.04Å; E65-Y69 HydrophobicContact CG-CE2 3.8Å; E65-Y69 WeakPolarHBondContact O-CD2 3.49Å; E65-Y69 PolarHBondContact O-N 3.49Å; E65-Y69 VanDerWaalsContact O-N 3.15Å
66I92.3Very high90.8Very high0 Ų075.8 Ų75.80%039%0.387CS..Hα-helixtrans-68.4-42.9-178.7-68.9168000111.3L37 L41 L44 I52 I54 R62 K63 Y68 Y69 A70 T99L37-I66 HydrophobicContact CD1-CD1 4.43Å; L37-I66 HydrophobicContact CG-CD1 4.49Å; L41-I66 HydrophobicContact CD2-CG1 4.43Å; L44-I66 HydrophobicContact CD1-CG2 4.25Å; I52-I66 HydrophobicContact CD1-CG2 4.43Å; I52-I66 HydrophobicContact CG2-CG2 3.71Å; I54-I66 HydrophobicContact CD1-CB 4.3Å; I54-I66 HydrophobicContact CD1-CG2 3.9Å; I54-I66 HydrophobicContact CG1-CG2 4.43Å; R62-I66 WeakPolarHBondContact O-CD1 3.03Å; R62-I66 VanDerWaalsContact O-CG1 3.27Å; R62-I66 WeakPolarHBondContact O-CG1 3.3Å; R62-I66 PolarHBondContact O-N 3.36Å; R62-I66 VanDerWaalsContact O-N 3.13Å; K63-I66 PolarHBondContact O-N 3.46Å; I66-Y68 VanDerWaalsContact C-N 3.31Å; I66-Y68 PolarHBondContact O-N 2.95Å; I66-Y69 PolarHBondContact O-N 2.98Å; I66-A70 WeakPolarHBondContact O-CB 3.37Å; I66-A70 PolarHBondContact O-N 3.39Å; I66-T99 HydrophobicContact CD1-CG2 3.38Å
67E91.7Very high90.8Very high67 Ų6773.7 Ų73.731%0.31338%0.377SS..Hα-helixtrans-59.3-42.3175.7-74.6161.3-155.100111.4I54 K63 A70 M71 V77 H79I54-E67 HydrophobicContact CD1-CG 4.35Å; K63-E67 WeakPolarHBondContact O-CB 3.41Å; K63-E67 VanDerWaalsContact O-CG 3.29Å; K63-E67 WeakPolarHBondContact O-CG 3.26Å; K63-E67 PolarHBondContact O-N 2.83Å; E67-A70 PolarHBondContact O-N 3.11Å; E67-M71 WeakPolarHBondContact O-CB 3.08Å; E67-M71 PolarHBondContact O-N 2.89Å; E67-V77 HydrophobicContact CG-CG1 4.43Å; E67-H79 IonicContact OE1-CE1 3.24Å; E67-H79 PolarHBondContact OE1-CE1 3.05Å; E67-H79 VanDerWaalsContact OE1-CE1 3.24Å; E67-H79 IonicContact OE1-NE2 3.96Å
68Y93.6Very high90.7Very high148 Ų14871.5 Ų71.558%0.5836%0.364SS*.Hα-helixtrans-59.5-50.6175.8174.1-102.3000111.9T64 E65 I66 A70 M71 L72T64-Y68 VanDerWaalsContact O-CB 3.26Å; T64-Y68 WeakPolarHBondContact O-CB 3.47Å; T64-Y68 PolarHBondContact O-N 2.77Å; E65-Y68 PolarHBondContact O-N 2.83Å; I66-Y68 VanDerWaalsContact C-N 3.31Å; I66-Y68 PolarHBondContact O-N 2.95Å; Y68-A70 VanDerWaalsContact C-N 3.35Å; Y68-A70 PolarHBondContact O-N 3.18Å; Y68-M71 PolarHBondContact O-N 3.24Å; Y68-L72 HydrophobicContact CD1-CD1 4.19Å; Y68-L72 HydrophobicContact CE1-CD1 3.6Å; Y68-L72 HydrophobicContact CE2-CD1 4.43Å; Y68-L72 WeakPolarHBondContact O-CG 3.38Å; Y68-L72 PolarHBondContact O-N 3.02Å
69Y91.9Very high90.7Very high59 Ų5976.3 Ų76.323%0.23139%0.385CS..Hα-helixtrans-66.3-37.3177.4-77.1-70.2000112.5L41 R45 E65 I66 M71 L72 S73L41-Y69 HydrophobicContact CD2-CD2 3.42Å; L41-Y69 VanDerWaalsContact CD2-CD2 3.42Å; L41-Y69 HydrophobicContact CD2-CE2 3.79Å; L41-Y69 HydrophobicContact CD2-CG 4.19Å; R45-Y69 PolarHBondContact NH2-OH 3.42Å; E65-Y69 HydrophobicContact CG-CD2 4.04Å; E65-Y69 HydrophobicContact CG-CE2 3.8Å; E65-Y69 WeakPolarHBondContact O-CD2 3.49Å; E65-Y69 PolarHBondContact O-N 3.49Å; E65-Y69 VanDerWaalsContact O-N 3.15Å; I66-Y69 PolarHBondContact O-N 2.98Å; Y69-M71 VanDerWaalsContact C-N 3.32Å; Y69-M71 PolarHBondContact O-N 2.92Å; Y69-L72 PolarHBondContact O-N 2.97Å; Y69-S73 PolarHBondContact O-N 3.23Å; Y69-S73 PolarHBondContact O-OG 3.31Å
70A91.7Very high90.6Very high1 Ų174.3 Ų74.31%0.00837%0.371CS..Hα-helixtrans-64.1-38.3177.900000112.3L44 I52 I66 E67 Y68 S73 K74 T75 V77L44-A70 HydrophobicContact CD2-CB 4.09Å; I52-A70 HydrophobicContact CD1-CB 3.87Å; I66-A70 WeakPolarHBondContact O-CB 3.37Å; I66-A70 PolarHBondContact O-N 3.39Å; E67-A70 PolarHBondContact O-N 3.11Å; Y68-A70 VanDerWaalsContact C-N 3.35Å; Y68-A70 PolarHBondContact O-N 3.18Å; A70-S73 WeakPolarHBondContact CA-OG 3.45Å; A70-S73 CarbonylContact O-C 3.37Å; A70-S73 PolarHBondContact O-N 3.22Å; A70-S73 PolarHBondContact O-OG 2.87Å; A70-K74 PolarHBondContact O-N 3.2Å; A70-T75 WeakPolarHBondContact CA-OG1 3.29Å; A70-T75 WeakPolarHBondContact CB-OG1 3.41Å; A70-T75 PolarHBondContact O-N 2.93Å; A70-T75 PolarHBondContact O-OG1 3.01Å; A70-V77 HydrophobicContact CB-CG2 3.34Å
71M90Very high90.4Very high155 Ų15575 Ų7576%0.76437%0.369SS*.Hα-helixtrans-63.2-43.1173.7-17462.2179.200111.3E67 Y68 Y69 S73 K74E67-M71 WeakPolarHBondContact O-CB 3.08Å; E67-M71 PolarHBondContact O-N 2.89Å; Y68-M71 PolarHBondContact O-N 3.24Å; Y69-M71 VanDerWaalsContact C-N 3.32Å; Y69-M71 PolarHBondContact O-N 2.92Å; M71-S73 PolarHBondContact O-N 3.01Å; M71-K74 PolarHBondContact O-N 3.49Å
72L89.6Confident90.3Very high112 Ų11268.9 Ų68.959%0.58634%0.34SS*.Hα-helixtrans-63.4-39.4176.1-68.7175000112.5Y68 Y69 K74Y68-L72 HydrophobicContact CD1-CD1 4.19Å; Y68-L72 HydrophobicContact CE1-CD1 3.6Å; Y68-L72 HydrophobicContact CE2-CD1 4.43Å; Y68-L72 WeakPolarHBondContact O-CG 3.38Å; Y68-L72 PolarHBondContact O-N 3.02Å; Y69-L72 PolarHBondContact O-N 2.97Å; L72-K74 VanDerWaalsContact C-N 3.32Å
73S87.9Confident90.4Very high35 Ų3565.9 Ų65.925%0.24534%0.335CS..THydrogen-bonded Turntrans-85.2-0.1178.2550000114.3L44 Y69 A70 M71 T75L44-S73 WeakPolarHBondContact CD2-OG 3.19Å; Y69-S73 PolarHBondContact O-N 3.23Å; Y69-S73 PolarHBondContact O-OG 3.31Å; A70-S73 WeakPolarHBondContact CA-OG 3.45Å; A70-S73 CarbonylContact O-C 3.37Å; A70-S73 PolarHBondContact O-N 3.22Å; A70-S73 PolarHBondContact O-OG 2.87Å; M71-S73 PolarHBondContact O-N 3.01Å; S73-T75 PolarHBondContact O-N 3.31Å; S73-T75 VanDerWaalsContact OG-CG2 3.24Å; S73-T75 WeakPolarHBondContact OG-CG2 3.47Å; S73-T75 PolarHBondContact OG-OG1 3.24Å; S73-T75 VanDerWaalsContact OG-OG1 3.09Å
74K87Confident90.5Very high182 Ų18265 Ų6579%0.79133%0.332SS*.THydrogen-bonded Turntrans53.336.6-174.3-56-179.5179.7-1780113.4A70 M71 L72A70-K74 PolarHBondContact O-N 3.2Å; M71-K74 PolarHBondContact O-N 3.49Å; L72-K74 VanDerWaalsContact C-N 3.32Å
75T88.7Confident90.5Very high18 Ų1870.2 Ų70.211%0.1134%0.343CS..  trans-96.7139-178.455.60000110.3A49 A70 S73A49-T75 HydrophobicContact CB-CG2 4.42Å; A49-T75 WeakPolarHBondContact O-CG2 3.34Å; A70-T75 WeakPolarHBondContact CA-OG1 3.29Å; A70-T75 WeakPolarHBondContact CB-OG1 3.41Å; A70-T75 PolarHBondContact O-N 2.93Å; A70-T75 PolarHBondContact O-OG1 3.01Å; S73-T75 PolarHBondContact O-N 3.31Å; S73-T75 VanDerWaalsContact OG-CG2 3.24Å; S73-T75 WeakPolarHBondContact OG-CG2 3.47Å; S73-T75 PolarHBondContact OG-OG1 3.24Å; S73-T75 VanDerWaalsContact OG-OG1 3.09Å
76G88.2Confident90.5Very high33 Ų3370.2 Ų70.234%0.3435%0.345SS..EExtended strand (participates in β ladder)trans-63.7139.7178.100000111.8R50 L51 I52R50-G76 PolarHBondContact O-N 3.46Å; L51-G76 WeakPolarHBondContact CA-O 3.39Å; I52-G76 PolarHBondContact N-O 3.4Å
77V91Very high90.5Very high42 Ų4270.3 Ų70.326%0.25535%0.346SS..EExtended strand (participates in β ladder)trans-116.5130.1173-177.40000108.9I52 I54 E67 A70I52-V77 CarbonylContact O-C 3.56Å; I52-V77 WeakPolarHBondContact O-CA 3.33Å; I54-V77 HydrophobicContact CD1-CG1 3.62Å; I54-V77 HydrophobicContact CG1-CG1 4.17Å; E67-V77 HydrophobicContact CG-CG1 4.43Å; A70-V77 HydrophobicContact CB-CG2 3.34Å
78H89.2Confident90.5Very high39 Ų3967.1 Ų67.118%0.18133%0.331CS..EExtended strand (participates in β ladder)trans-120.4120.4177.6-172.176.9000110.6I20 L51 I52 I53 I54 Y80I20-H78 VanDerWaalsContact CD1-NE2 3.26Å; I20-H78 WeakPolarHBondContact CD1-NE2 3.48Å; L51-H78 HydrophobicContact CD1-CB 4.22Å; I52-H78 PolarHBondContact O-N 3.08Å; I53-H78 WeakPolarHBondContact CA-O 3.32Å; I53-H78 HydrophobicContact CG1-CB 4.28Å; I54-H78 PolarHBondContact N-O 3.24Å; H78-Y80 PolarHBondContact O-N 3.37Å
79H89.8Confident90.5Very high107 Ų10764.7 Ų64.750%0.49533%0.331SS..EExtended strand (participates in β ladder)trans-82.7107.4176.4-65.2-77.7000109.8E67E67-H79 IonicContact OE1-CE1 3.24Å; E67-H79 PolarHBondContact OE1-CE1 3.05Å; E67-H79 VanDerWaalsContact OE1-CE1 3.24Å; E67-H79 IonicContact OE1-NE2 3.96Å
80Y90Very high90.4Very high7 Ų762.6 Ų62.63%0.02733%0.326CS..EExtended strand (participates in β ladder)trans-77.1129.3175.4-176-103.9000110.2L17 I20 N21 I54 N56 H78 G82 D86 L87L17-Y80 HydrophobicContact CD1-CE2 4.23Å; L17-Y80 HydrophobicContact CG-CE2 4.35Å; I20-Y80 HydrophobicContact CG2-CD2 4.27Å; I20-Y80 HydrophobicContact CG2-CE2 4.39Å; N21-Y80 PolarHBondContact ND2-OH 3.31Å; N21-Y80 VanDerWaalsContact OD1-CE2 3.24Å; N21-Y80 WeakPolarHBondContact OD1-CE2 3.48Å; N21-Y80 PolarHBondContact OD1-OH 2.85Å; I54-Y80 WeakPolarHBondContact O-CB 3.45Å; I54-Y80 PolarHBondContact O-N 3.02Å; N56-Y80 WeakPolarHBondContact CB-O 3.2Å; N56-Y80 PolarHBondContact N-O 2.9Å; N56-Y80 VanDerWaalsContact N-O 3.1Å; H78-Y80 PolarHBondContact O-N 3.37Å; Y80-G82 VanDerWaalsContact C-N 3.32Å; Y80-G82 WeakPolarHBondContact CD1-O 3.42Å; Y80-G82 VanDerWaalsContact CE1-N 3.32Å; Y80-G82 PolarHBondContact O-N 3.45Å; Y80-D86 HydrophobicContact CE1-CB 4.12Å; Y80-L87 HydrophobicContact CD1-CD1 4.09Å; Y80-L87 HydrophobicContact CD1-CD2 3.2Å; Y80-L87 HydrophobicContact CD1-CG 3.31Å; Y80-L87 HydrophobicContact CD2-CD2 3.63Å; Y80-L87 HydrophobicContact CE1-CD2 3.47Å; Y80-L87 VanDerWaalsContact CE1-CD2 3.47Å; Y80-L87 HydrophobicContact CE1-CG 3.64Å; Y80-L87 HydrophobicContact CE2-CD2 3.92Å; Y80-L87 HydrophobicContact CG-CD1 4.37Å; Y80-L87 HydrophobicContact CG-CD2 3.26Å; Y80-L87 HydrophobicContact CG-CG 3.84Å
81N87.4Confident90.3Very high117 Ų11762.8 Ų62.863%0.62633%0.327SS*.SBendtrans-73.3-21.5-174.5-168.325.6000113.5L17 N56L17-N81 HydrophobicContact CD1-CB 3.78Å; N56-N81 WeakPolarHBondContact CB-O 3.27Å; N56-N81 PolarHBondContact ND2-O 3.32Å; N56-N81 VanDerWaalsContact ND2-O 3.09Å
82G88.8Confident90.3Very high13 Ų1358.2 Ų58.213%0.13432%0.32CS..SBendtrans-85.3177.2178.400000114.4N56 Y80N56-G82 VanDerWaalsContact CB-O 3.3Å; N56-G82 WeakPolarHBondContact CB-O 3.32Å; N56-G82 PolarHBondContact N-O 3.2Å; Y80-G82 VanDerWaalsContact C-N 3.32Å; Y80-G82 WeakPolarHBondContact CD1-O 3.42Å; Y80-G82 VanDerWaalsContact CE1-N 3.32Å; Y80-G82 PolarHBondContact O-N 3.45Å
83T92.8Very high90.4Very high55 Ų5556.7 Ų56.734%0.33731%0.308SS..  trans-81.3168.5-179.369.30000112.5N57 R85 D86 L87N57-T83 WeakPolarHBondContact OD1-CA 3.33Å; T83-R85 PolarHBondContact O-N 3.13Å; T83-R85 VanDerWaalsContact O-N 3.09Å; T83-R85 PolarHBondContact OG1-N 3.44Å; T83-D86 WeakPolarHBondContact CB-OD2 3.34Å; T83-D86 PolarHBondContact N-OD2 3.49Å; T83-D86 PolarHBondContact O-N 2.95Å; T83-D86 VanDerWaalsContact OG1-CG 3.26Å; T83-D86 PolarHBondContact OG1-N 3.41Å; T83-D86 PolarHBondContact OG1-OD2 2.96Å; T83-L87 PolarHBondContact O-N 3.33Å
84N93.1Very high90.5Very high23 Ų2366.8 Ų66.812%0.12334%0.343CS..Hα-helixtrans-54.5-27.9172.7-57.3-19.3000113.1A55 N57 G88 R96 V97 S98A55-N84 WeakPolarHBondContact CB-OD1 3.35Å; N57-N84 PolarHBondContact OD1-N 3.25Å; N57-N84 PolarHBondContact OD1-OD1 3.32Å; N84-G88 PolarHBondContact O-N 2.84Å; N84-R96 HydrophobicContact CB-CB 4.21Å; N84-V97 WeakPolarHBondContact CA-O 3.26Å; N84-V97 WeakPolarHBondContact CB-O 2.83Å; N84-V97 PolarHBondContact O-N 3.02Å; N84-S98 WeakPolarHBondContact OD1-CA 3.32Å
85R93.3Very high90.8Very high191 Ų19163.4 Ų63.472%0.72133%0.328SS*.Hα-helixtrans-72.5-47176.7-169.4-178.1-166-175.73.7109.8T83 L87 G88 T89T83-R85 PolarHBondContact O-N 3.13Å; T83-R85 VanDerWaalsContact O-N 3.09Å; T83-R85 PolarHBondContact OG1-N 3.44Å; R85-L87 VanDerWaalsContact C-N 3.33Å; R85-L87 PolarHBondContact O-N 3.44Å; R85-G88 PolarHBondContact O-N 3.14Å; R85-G88 VanDerWaalsContact O-N 3.14Å; R85-T89 PolarHBondContact O-N 2.78Å; R85-T89 PolarHBondContact O-OG1 3.42Å; R85-T89 VanDerWaalsContact O-OG1 3.04Å
86D92.2Very high91Very high70 Ų7072.4 Ų72.437%0.37436%0.36SS..Hα-helixtrans-63.8-39.9-179.7-51.6-42.5000111.3Y80 T83 T89 A90Y80-D86 HydrophobicContact CE1-CB 4.12Å; T83-D86 WeakPolarHBondContact CB-OD2 3.34Å; T83-D86 PolarHBondContact N-OD2 3.49Å; T83-D86 PolarHBondContact O-N 2.95Å; T83-D86 VanDerWaalsContact OG1-CG 3.26Å; T83-D86 PolarHBondContact OG1-N 3.41Å; T83-D86 PolarHBondContact OG1-OD2 2.96Å; D86-T89 PolarHBondContact O-N 2.95Å; D86-A90 WeakPolarHBondContact O-CB 3.19Å; D86-A90 PolarHBondContact O-N 3.36Å
87L91.9Very high91.2Very high3 Ų371 Ų712%0.01635%0.345CS..Hα-helixtrans-61.7-44171.9-83.1-171.1000112.8L24 I53 A55 Y80 T83 R85 T89 A90 C91 V97L24-L87 HydrophobicContact CD1-CD2 4.21Å; I53-L87 HydrophobicContact CG2-CD1 4.22Å; I53-L87 HydrophobicContact CG2-CD2 4.02Å; A55-L87 HydrophobicContact CB-CD1 3.6Å; A55-L87 HydrophobicContact CB-CG 4.42Å; Y80-L87 HydrophobicContact CD1-CD1 4.09Å; Y80-L87 HydrophobicContact CD1-CD2 3.2Å; Y80-L87 HydrophobicContact CD1-CG 3.31Å; Y80-L87 HydrophobicContact CD2-CD2 3.63Å; Y80-L87 HydrophobicContact CE1-CD2 3.47Å; Y80-L87 VanDerWaalsContact CE1-CD2 3.47Å; Y80-L87 HydrophobicContact CE1-CG 3.64Å; Y80-L87 HydrophobicContact CE2-CD2 3.92Å; Y80-L87 HydrophobicContact CG-CD1 4.37Å; Y80-L87 HydrophobicContact CG-CD2 3.26Å; Y80-L87 HydrophobicContact CG-CG 3.84Å; T83-L87 PolarHBondContact O-N 3.33Å; R85-L87 VanDerWaalsContact C-N 3.33Å; R85-L87 PolarHBondContact O-N 3.44Å; L87-T89 VanDerWaalsContact C-N 3.34Å; L87-T89 PolarHBondContact O-N 3.28Å; L87-A90 PolarHBondContact O-N 3.34Å; L87-C91 PolarHBondContact O-N 2.86Å; L87-C91 PolarHBondContact O-SG 2.72Å; L87-V97 HydrophobicContact CB-CB 4.47Å
88G93Very high91.3Very high0 Ų070.1 Ų70.10%034%0.341CS..Hα-helixtrans-58.3-48.2176.400000111.3N84 R85 C91 G92 K93N84-G88 PolarHBondContact O-N 2.84Å; R85-G88 PolarHBondContact O-N 3.14Å; R85-G88 VanDerWaalsContact O-N 3.14Å; G88-C91 CarbonylContact O-C 3.59Å; G88-C91 PolarHBondContact O-N 3.22Å; G88-G92 PolarHBondContact O-N 2.92Å; G88-K93 CarbonylContact C-O 3.44Å; G88-K93 PolarHBondContact O-N 3.04Å
89T92.3Very high91.5Very high97 Ų9768.4 Ų68.460%0.59533%0.333SS*.Hα-helixtrans-61.8-43.4176.4-520000112.1R85 D86 L87 C91 G92R85-T89 PolarHBondContact O-N 2.78Å; R85-T89 PolarHBondContact O-OG1 3.42Å; R85-T89 VanDerWaalsContact O-OG1 3.04Å; D86-T89 PolarHBondContact O-N 2.95Å; L87-T89 VanDerWaalsContact C-N 3.34Å; L87-T89 PolarHBondContact O-N 3.28Å; T89-C91 PolarHBondContact O-N 3.23Å; T89-G92 PolarHBondContact O-N 2.95Å
90A90.2Very high91.6Very high14 Ų1463.4 Ų63.412%0.11631%0.31CS..Hα-helixtrans-61.8-32.117700000112.5N21 L24 D86 L87 G92N21-A90 HydrophobicContact CB-CB 4.17Å; N21-A90 WeakPolarHBondContact OD1-CB 3.47Å; L24-A90 HydrophobicContact CD1-CB 4.27Å; D86-A90 WeakPolarHBondContact O-CB 3.19Å; D86-A90 PolarHBondContact O-N 3.36Å; L87-A90 PolarHBondContact O-N 3.34Å; A90-G92 VanDerWaalsContact C-N 3.28Å; A90-G92 PolarHBondContact O-N 3.44Å
91C90.3Very high91.7Very high6 Ų663.1 Ų63.14%0.04131%0.309CS..THydrogen-bonded Turntrans-82.1-1.1173.9-59.80000113.6M28 L87 G88 T89 K93 L100M28-C91 HydrophobicContact CE-CB 3.98Å; M28-C91 HydrophobicContact CG-CB 4.07Å; M28-C91 WeakPolarHBondContact CG-O 3.48Å; M28-C91 HydrophobicContact SD-CB 4.22Å; L87-C91 PolarHBondContact O-N 2.86Å; L87-C91 PolarHBondContact O-SG 2.72Å; G88-C91 CarbonylContact O-C 3.59Å; G88-C91 PolarHBondContact O-N 3.22Å; T89-C91 PolarHBondContact O-N 3.23Å; C91-K93 VanDerWaalsContact C-N 3.34Å; C91-K93 HydrophobicContact CB-CG 4.17Å; C91-L100 VanDerWaalsContact SG-CD1 3.57Å
92G90.4Very high92Very high58 Ų5857.5 Ų57.560%0.59828%0.279SS*.THydrogen-bonded Turntrans69.826.5-174.700000114.1G88 T89 A90G88-G92 PolarHBondContact O-N 2.92Å; T89-G92 PolarHBondContact O-N 2.95Å; A90-G92 VanDerWaalsContact C-N 3.28Å; A90-G92 PolarHBondContact O-N 3.44Å
93K90.9Very high92.1Very high81 Ų8159.4 Ų59.435%0.35228%0.284SS..  trans-106.9139.7178.8-58-57-178.3-172.20111I35 G88 C91 F95I35-K93 HydrophobicContact CD1-CG 4.13Å; G88-K93 CarbonylContact C-O 3.44Å; G88-K93 PolarHBondContact O-N 3.04Å; C91-K93 VanDerWaalsContact C-N 3.34Å; C91-K93 HydrophobicContact CB-CG 4.17Å; K93-F95 HydrophobicContact CB-CD1 3.95Å; K93-F95 HydrophobicContact CB-CE1 3.72Å; K93-F95 HydrophobicContact CB-CE2 4.5Å; K93-F95 HydrophobicContact CB-CG 4.44Å; K93-F95 HydrophobicContact CB-CZ 4.01Å; K93-F95 HydrophobicContact CD-CE1 3.94Å; K93-F95 HydrophobicContact CD-CZ 4.22Å; K93-F95 HydrophobicContact CG-CE1 3.92Å; K93-F95 HydrophobicContact CG-CZ 3.93Å; K93-F95 PolarHBondContact O-N 3.43Å
94Y90.7Very high92Very high246 Ų24659.5 Ų59.597%0.96528%0.283SS*.SBendtrans-827.3177-59.3-73.9000114.1
95F92.9Very high91.7Very high112 Ų11259.3 Ų59.349%0.49128%0.283SS..SBendtrans-122.2155.3178.261.9-93.8000111I35 K93 V97I35-F95 HydrophobicContact CD1-CZ 4.38Å; I35-F95 HydrophobicContact CG2-CE2 3.94Å; I35-F95 HydrophobicContact CG2-CZ 4.38Å; K93-F95 HydrophobicContact CB-CD1 3.95Å; K93-F95 HydrophobicContact CB-CE1 3.72Å; K93-F95 HydrophobicContact CB-CE2 4.5Å; K93-F95 HydrophobicContact CB-CG 4.44Å; K93-F95 HydrophobicContact CB-CZ 4.01Å; K93-F95 HydrophobicContact CD-CE1 3.94Å; K93-F95 HydrophobicContact CD-CZ 4.22Å; K93-F95 HydrophobicContact CG-CE1 3.92Å; K93-F95 HydrophobicContact CG-CZ 3.93Å; K93-F95 PolarHBondContact O-N 3.43Å; F95-V97 HydrophobicContact CD2-CG2 4.02Å; F95-V97 HydrophobicContact CE2-CG2 3.71Å
96R92.7Very high91.4Very high207 Ų20752.1 Ų52.178%0.78127%0.268SS*.  trans-67.2133.4179.464.6-177.6-178.3179-2111.3N84N84-R96 HydrophobicContact CB-CB 4.21Å
97V92.6Very high91Very high3 Ų355.3 Ų55.32%0.01829%0.285CS..  trans-119.5114.4177176.30000108.7I35 N84 L87 F95 T99 L100I35-V97 HydrophobicContact CG2-CB 4.19Å; I35-V97 HydrophobicContact CG2-CG1 3.62Å; I35-V97 HydrophobicContact CG2-CG2 3.55Å; N84-V97 WeakPolarHBondContact CA-O 3.26Å; N84-V97 WeakPolarHBondContact CB-O 2.83Å; N84-V97 PolarHBondContact O-N 3.02Å; L87-V97 HydrophobicContact CB-CB 4.47Å; F95-V97 HydrophobicContact CD2-CG2 4.02Å; F95-V97 HydrophobicContact CE2-CG2 3.71Å; V97-T99 WeakPolarHBondContact CG1-O 3.18Å; V97-L100 HydrophobicContact CG1-CB 4.35Å
98S92.3Very high90.6Very high24 Ų2455.5 Ų55.517%0.16829%0.287CS..SBendtrans-83.1-36.2176.856.30000113.3A55 N84A55-S98 WeakPolarHBondContact CB-O 3.5Å; A55-S98 PolarHBondContact N-O 3.45Å; N84-S98 WeakPolarHBondContact OD1-CA 3.32Å
99T93.1Very high90Very high2 Ų260.2 Ų60.21%0.01231%0.312CS..EExtended strand (participates in β ladder)trans-146.5140.7-170.6550000108.9G36 L37 I53 I66 V97G36-T99 PolarHBondContact N-O 3.18Å; L37-T99 PolarHBondContact N-OG1 3.36Å; I53-T99 WeakPolarHBondContact O-CA 3.34Å; I66-T99 HydrophobicContact CD1-CG2 3.38Å; V97-T99 WeakPolarHBondContact CG1-O 3.18Å
100L92.6Very high89.4Confident3 Ų355.8 Ų55.82%0.01629%0.285CS..EExtended strand (participates in β ladder)trans-139.1139.3-179.7-171.7141.6000109.6M28 C33 I35 I52 I53 C91 V97 I102M28-L100 HydrophobicContact CE-CD1 3.38Å; M28-L100 HydrophobicContact CE-CG 4.47Å; C33-L100 HydrophobicContact CB-CD2 4.33Å; I35-L100 HydrophobicContact CG1-CD1 3.95Å; I52-L100 CarbonylContact C-O 3.52Å; I52-L100 WeakPolarHBondContact CA-O 3.5Å; I53-L100 PolarHBondContact N-O 2.87Å; I53-L100 PolarHBondContact O-N 2.97Å; C91-L100 VanDerWaalsContact SG-CD1 3.57Å; V97-L100 HydrophobicContact CG1-CB 4.35Å; L100-I102 HydrophobicContact CD2-CD1 4.27Å; L100-I102 HydrophobicContact CD2-CG1 3.59Å
101A93.2Very high88.7Confident0 Ų058.3 Ų58.30%030%0.295CS..EExtended strand (participates in β ladder)trans-116.9132.6172.600000109.2C33 S34 T40 L43 A49 I52C33-A101 WeakPolarHBondContact CA-O 3.47Å; S34-A101 PolarHBondContact N-O 3.37Å; S34-A101 PolarHBondContact O-N 3.31Å; T40-A101 HydrophobicContact CG2-CB 3.55Å; L43-A101 HydrophobicContact CD1-CB 3.77Å; A49-A101 HydrophobicContact CB-CB 4.26Å; I52-A101 HydrophobicContact CG1-CB 4.3Å
102I92.2Very high87.7Confident0 Ų068.2 Ų68.20%033%0.332CS..EExtended strand (participates in β ladder)trans-99.3118.4175.4-62.8160.7000106.8L24 V27 R50 L51 I53 L100 P105 I110L24-I102 HydrophobicContact CD2-CD1 4.49Å; V27-I102 HydrophobicContact CG1-CG1 4.38Å; V27-I102 HydrophobicContact CG1-CG2 3.95Å; R50-I102 PolarHBondContact N-O 2.87Å; L51-I102 HydrophobicContact CB-CB 4.35Å; L51-I102 HydrophobicContact CB-CD1 4.24Å; L51-I102 HydrophobicContact CD2-CD1 3.92Å; L51-I102 HydrophobicContact CG-CD1 4.33Å; L51-I102 PolarHBondContact N-O 3.09Å; L51-I102 PolarHBondContact O-N 3.46Å; I53-I102 HydrophobicContact CD1-CD1 3.87Å; L100-I102 HydrophobicContact CD2-CD1 4.27Å; L100-I102 HydrophobicContact CD2-CG1 3.59Å; I102-P105 HydrophobicContact CG2-CB 4.44Å; I102-I110 HydrophobicContact CD1-CD1 3.86Å; I102-I110 HydrophobicContact CD1-CG2 3.87Å
103E91.7Very high85.9Confident53 Ų5368.9 Ų68.925%0.24833%0.327CS..EExtended strand (participates in β ladder)trans-86-55173.4-65.7172.6-13900109K32 S34 L43 R50K32-E103 HydrophobicContact CB-CB 4.23Å; K32-E103 PolarHBondContact O-N 3.28Å; S34-E103 PolarHBondContact OG-OE1 3.12Å; L43-E103 HydrophobicContact CD1-CG 3.48Å; L43-E103 VanDerWaalsContact CD1-CG 3.48Å; L43-E103 VanDerWaalsContact CD1-OE1 3.24Å; L43-E103 WeakPolarHBondContact CD1-OE1 3.4Å; L43-E103 HydrophobicContact CD2-CG 3.96Å; L43-E103 VanDerWaalsContact CD2-OE1 3.24Å; L43-E103 WeakPolarHBondContact CD2-OE1 3.39Å; L43-E103 HydrophobicContact CG-CG 4.32Å; R50-E103 VanDerWaalsContact CD-O 3.24Å; R50-E103 WeakPolarHBondContact CD-O 3.41Å; R50-E103 WeakPolarHBondContact CG-O 3.24Å
104D89.8Confident84.1Confident57 Ų5765.8 Ų65.831%0.30532%0.317SS..EExtended strand (participates in β ladder)trans-122.1121.3178.3-69.9-50.2000109.4G31 K32 G106G31-D104 VanDerWaalsContact CA-O 3.3Å; G31-D104 WeakPolarHBondContact CA-O 3.3Å; K32-D104 HydrophobicContact CB-CB 4.03Å; K32-D104 WeakPolarHBondContact CD-OD2 3.42Å; K32-D104 HydrophobicContact CG-CB 4.34Å; K32-D104 PolarHBondContact N-O 2.96Å; K32-D104 IonicContact NZ-OD2 3.5Å; K32-D104 PolarHBondContact NZ-OD2 3.48Å; K32-D104 PolarHBondContact O-N 3.46Å; K32-D104 VanDerWaalsContact O-N 3.12Å; D104-G106 PolarHBondContact O-N 3.23Å
105P86.9Confident82.1Confident18 Ų1859 Ų5912%0.11730%0.303CS..  trans-70.3-15.3179.432.1-38.5000113.1I102 D107 S108 I110 I111I102-P105 HydrophobicContact CG2-CB 4.44Å; P105-D107 PolarHBondContact O-N 3.05Å; P105-S108 WeakPolarHBondContact O-CB 3.3Å; P105-S108 PolarHBondContact O-N 3.43Å; P105-S108 VanDerWaalsContact O-N 3.1Å; P105-S108 PolarHBondContact O-OG 3.12Å; P105-I110 HydrophobicContact CB-CG2 4.37Å; P105-I111 HydrophobicContact CB-CD1 3.78Å; P105-I111 HydrophobicContact CB-CG1 4.07Å; P105-I111 HydrophobicContact CG-CD1 3.57Å; P105-I111 HydrophobicContact CG-CG1 4.33Å
106G88Confident79.8Confident41 Ų4160.8 Ų60.842%0.42331%0.313SS..THydrogen-bonded Turntrans57.7-127.2-170.100000110.7D104 S108D104-G106 PolarHBondContact O-N 3.23Å; G106-S108 VanDerWaalsContact C-N 3.29Å; G106-S108 PolarHBondContact O-N 3.2Å
107D84.2Confident77.2Confident136 Ų13659.8 Ų59.873%0.72732%0.317SS*.THydrogen-bonded Turntrans-85.93.4178.8-55.5-46.9000113.6S30 P105S30-D107 WeakPolarHBondContact CB-OD2 3.48Å; S30-D107 PolarHBondContact OG-N 3.41Å; P105-D107 PolarHBondContact O-N 3.05Å
108S82.9Confident74.3Confident8 Ų863.2 Ų63.26%0.05635%0.346CS..  trans-84.6134.6-177.471.60000112.9V27 P105 G106 I110V27-S108 WeakPolarHBondContact CG2-OG 3.39Å; P105-S108 WeakPolarHBondContact O-CB 3.3Å; P105-S108 PolarHBondContact O-N 3.43Å; P105-S108 VanDerWaalsContact O-N 3.1Å; P105-S108 PolarHBondContact O-OG 3.12Å; G106-S108 VanDerWaalsContact C-N 3.29Å; G106-S108 PolarHBondContact O-N 3.2Å; S108-I110 PolarHBondContact O-N 3.39Å; S108-I110 VanDerWaalsContact O-N 3.15Å
109D80.7Confident71.3Confident99 Ų9965.1 Ų65.153%0.52937%0.369SS..THydrogen-bonded Turntrans-81.318.1174.7-72.4-48.6000113.5I111 R112 S113D109-I111 PolarHBondContact O-N 3.03Å; D109-I111 VanDerWaalsContact O-N 3.14Å; D109-R112 WeakPolarHBondContact O-CB 3.41Å; D109-R112 PolarHBondContact O-N 3.41Å; D109-R112 IonicContact OD1-NE 3.59Å; D109-S113 PolarHBondContact O-N 3.09Å
110I80Confident68.3Low4 Ų470.3 Ų70.32%0.02140%0.401CS..Hα-helixtrans-60.8-32.1-171.3-161165.6000113C23 L24 V27 L51 I53 I102 P105 S108 R112 S113 A114C23-I110 HydrophobicContact CB-CB 4.07Å; C23-I110 HydrophobicContact CB-CD1 4.13Å; C23-I110 HydrophobicContact CB-CG1 4.18Å; L24-I110 HydrophobicContact CD2-CD1 3.67Å; L24-I110 HydrophobicContact CG-CD1 4.01Å; V27-I110 HydrophobicContact CG2-CD1 4.47Å; V27-I110 HydrophobicContact CG2-CG2 4.12Å; L51-I110 HydrophobicContact CD2-CB 4.42Å; L51-I110 HydrophobicContact CD2-CD1 4.27Å; L51-I110 HydrophobicContact CD2-CG1 3.79Å; L51-I110 HydrophobicContact CD2-CG2 4.08Å; I53-I110 HydrophobicContact CD1-CD1 3.84Å; I102-I110 HydrophobicContact CD1-CD1 3.86Å; I102-I110 HydrophobicContact CD1-CG2 3.87Å; P105-I110 HydrophobicContact CB-CG2 4.37Å; S108-I110 PolarHBondContact O-N 3.39Å; S108-I110 VanDerWaalsContact O-N 3.15Å; I110-R112 VanDerWaalsContact C-N 3.32Å; I110-R112 PolarHBondContact O-N 3.09Å; I110-S113 PolarHBondContact O-N 2.81Å; I110-S113 PolarHBondContact O-OG 2.68Å; I110-A114 PolarHBondContact O-N 2.82Å
111I75.5Confident65.1Low66 Ų6683.3 Ų83.334%0.33846%0.457SS..Hα-helixtrans-70.5-29.7179-58.8-175.9000111.4R50 P105 D109 S113R50-I111 HydrophobicContact CB-CD1 3.82Å; R50-I111 HydrophobicContact CG-CD1 4.46Å; P105-I111 HydrophobicContact CB-CD1 3.78Å; P105-I111 HydrophobicContact CB-CG1 4.07Å; P105-I111 HydrophobicContact CG-CD1 3.57Å; P105-I111 HydrophobicContact CG-CG1 4.33Å; D109-I111 PolarHBondContact O-N 3.03Å; D109-I111 VanDerWaalsContact O-N 3.14Å; I111-S113 VanDerWaalsContact C-N 3.33Å
112R67.8Low63.7Low215 Ų21587.5 Ų87.581%0.81148%0.48SS*.Hα-helixtrans-73.7-27.8178.1-61.1-177.7179.6-150.7-0.2112.3D109 I110D109-R112 WeakPolarHBondContact O-CB 3.41Å; D109-R112 PolarHBondContact O-N 3.41Å; D109-R112 IonicContact OD1-NE 3.59Å; I110-R112 VanDerWaalsContact C-N 3.32Å; I110-R112 PolarHBondContact O-N 3.09Å
113S53.7Low62.2Low71 Ų7192.1 Ų92.150%0.49751%0.505SS..Hα-helixtrans-86-13.1-177.561.10000114.9D109 I110 I111D109-S113 PolarHBondContact O-N 3.09Å; I110-S113 PolarHBondContact O-N 2.81Å; I110-S113 PolarHBondContact O-OG 2.68Å; I111-S113 VanDerWaalsContact C-N 3.33Å
114A53.4Low60.6Low16 Ų1694.3 Ų94.313%0.13252%0.52CS..SBendtrans-76.9129.317300000108.8L51 I110 H116L51-A114 HydrophobicContact CD1-CB 3.75Å; I110-A114 PolarHBondContact O-N 2.82Å; A114-H116 PolarHBondContact O-N 3.1Å
115P47.9Very low58.8Low105 Ų10596.5 Ų96.568%0.68253%0.532SS*.  trans-60.5108.9172.825.4-30.8000107.6E117P115-E117 VanDerWaalsContact C-N 3.27Å; P115-E117 PolarHBondContact O-N 3.33Å
116H44Very low57.1Low148 Ų148101.4 Ų101.469%0.68556%0.558SS**  trans-67.994.5163.6-17517.6000105.9A114 A118A114-H116 PolarHBondContact O-N 3.1Å; H116-A118 PolarHBondContact O-N 3.46Å
117E39.3Very low55Low187 Ų187105.4 Ų105.487%0.87457%0.567SS**  trans-6598.9152.3-70.9-160.8155.500105.7P115 G119P115-E117 VanDerWaalsContact C-N 3.27Å; P115-E117 PolarHBondContact O-N 3.33Å; E117-G119 PolarHBondContact O-N 3.37Å; E117-G119 VanDerWaalsContact O-N 3.08Å
118A31.3Very low52.9Low75 Ų75103.2 Ų103.262%0.6256%0.556SS**  trans-60.5103.6179.500000109.4H116 T120H116-A118 PolarHBondContact O-N 3.46Å; A118-T120 VanDerWaalsContact C-N 3.31Å
119G29Very low50.6Low63 Ų63110.5 Ų110.565%0.64959%0.594SS**  trans-96.254.7158.900000110.5E117E117-G119 PolarHBondContact O-N 3.37Å; E117-G119 VanDerWaalsContact O-N 3.08Å
120T29.3Very low48.1Very low112 Ų112111.5 Ų111.569%0.68760%0.6SS**  trans-115.1125.4164.5-48.40000106A118A118-T120 VanDerWaalsContact C-N 3.31Å
121K26.3Very low45.2Very low276 Ų276121.3 Ų121.3100%1.265%0.652SS**  trans-48.90166-71.2-179.9174.1-177.30111.4

Retrieved 121 of 121 residues in 36.1 ms (Link to these results)