G4VHS5_SCHMA Loading...

Cytidine/deoxycytidylate deaminase-related

AlphaFold DB , UniProt , Accession G4VHS5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 165 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
1M95.7Very high98.1Very high35 Ų3543.4 Ų43.417%0.17222%0.221CC..  0-35.60-174.755.886.900110.3I3 A4 F5 F76 T101 V134 E135M1-I3 PolarHBondContact O-N 3.24Å; M1-A4 WeakPolarHBondContact O-CA 3.46Å; M1-A4 VanDerWaalsContact O-CB 3.25Å; M1-A4 WeakPolarHBondContact O-CB 3.24Å; M1-A4 PolarHBondContact O-N 2.82Å; M1-A4 HydrophobicContact SD-CB 4.04Å; M1-F5 HydrophobicContact CG-CD2 3.7Å; M1-F5 HydrophobicContact CG-CE2 3.6Å; M1-F5 PolarHBondContact O-N 2.76Å; M1-F5 HydrophobicContact SD-CD2 4.31Å; M1-F5 HydrophobicContact SD-CE2 4.14Å; M1-F76 HydrophobicContact CB-CD1 4.37Å; M1-F76 HydrophobicContact CE-CB 4.43Å; M1-F76 HydrophobicContact CE-CD1 4.2Å; M1-F76 HydrophobicContact SD-CB 4.3Å; M1-T101 HydrophobicContact CE-CG2 4.02Å; M1-V134 HydrophobicContact CB-CG1 4.2Å; M1-V134 HydrophobicContact CE-CB 4.13Å; M1-V134 HydrophobicContact CE-CG1 4.17Å; M1-V134 HydrophobicContact CG-CG1 4.17Å; M1-E135 WeakPolarHBondContact CB-OE1 3.25Å; M1-E135 WeakPolarHBondContact CG-OE1 3.39Å
2D97Very high98Very high111 Ų11141.6 Ų41.659%0.59421%0.212SC*.Hα-helixtrans-41.8-54.4177.8-49.81.1000114.8A4 F5 E6D2-A4 VanDerWaalsContact C-N 3.25Å; D2-A4 PolarHBondContact O-N 2.99Å; D2-F5 CarbonylContact O-C 3.54Å; D2-F5 WeakPolarHBondContact O-CA 3.48Å; D2-F5 WeakPolarHBondContact O-CB 3.47Å; D2-F5 PolarHBondContact O-N 3.39Å; D2-E6 PolarHBondContact O-N 2.96Å
3I98.1Very high97.9Very high63 Ų6351.9 Ų51.932%0.32325%0.247SC..Hα-helixtrans-58-36.6177.9-62.6-59.5000112.5M1 F5 E6 L7 A22 V29M1-I3 PolarHBondContact O-N 3.24Å; I3-F5 VanDerWaalsContact C-N 3.32Å; I3-E6 WeakPolarHBondContact CD1-OE2 3.48Å; I3-E6 PolarHBondContact O-N 3.32Å; I3-L7 HydrophobicContact CG2-CD1 4.07Å; I3-L7 WeakPolarHBondContact O-CB 3.42Å; I3-L7 WeakPolarHBondContact O-CD1 3.43Å; I3-L7 WeakPolarHBondContact O-CG 3.46Å; I3-L7 PolarHBondContact O-N 3.29Å; I3-L7 VanDerWaalsContact O-N 3.1Å; I3-A22 HydrophobicContact CG2-CB 4.37Å; I3-V29 HydrophobicContact CB-CG2 4.45Å; I3-V29 HydrophobicContact CG1-CG2 4.12Å; I3-V29 HydrophobicContact CG2-CG1 4.47Å; I3-V29 HydrophobicContact CG2-CG2 4.5Å
4A98.6Very high97.7Very high1 Ų153.4 Ų53.41%0.00827%0.265CS..Hα-helixtrans-67.5-34.9175.600000111.2M1 D2 A8 G20 T78M1-A4 WeakPolarHBondContact O-CA 3.46Å; M1-A4 VanDerWaalsContact O-CB 3.25Å; M1-A4 WeakPolarHBondContact O-CB 3.24Å; M1-A4 PolarHBondContact O-N 2.82Å; M1-A4 HydrophobicContact SD-CB 4.04Å; D2-A4 VanDerWaalsContact C-N 3.25Å; D2-A4 PolarHBondContact O-N 2.99Å; A4-A8 WeakPolarHBondContact O-CB 3.4Å; A4-A8 PolarHBondContact O-N 3.26Å; A4-G20 VanDerWaalsContact O-CA 3.28Å; A4-G20 WeakPolarHBondContact O-CA 3.26Å; A4-T78 HydrophobicContact CB-CG2 3.97Å; A4-T78 WeakPolarHBondContact O-CG2 3.45Å
5F98.5Very high97.4Very high22 Ų2255.6 Ų55.610%0.09628%0.278CS..Hα-helixtrans-71.3-38.3173.5-89.1-76.7000113.6M1 D2 I3 L7 A8 C9 T78 E135 A138 A139 L142M1-F5 HydrophobicContact CG-CD2 3.7Å; M1-F5 HydrophobicContact CG-CE2 3.6Å; M1-F5 PolarHBondContact O-N 2.76Å; M1-F5 HydrophobicContact SD-CD2 4.31Å; M1-F5 HydrophobicContact SD-CE2 4.14Å; D2-F5 CarbonylContact O-C 3.54Å; D2-F5 WeakPolarHBondContact O-CA 3.48Å; D2-F5 WeakPolarHBondContact O-CB 3.47Å; D2-F5 PolarHBondContact O-N 3.39Å; I3-F5 VanDerWaalsContact C-N 3.32Å; F5-L7 VanDerWaalsContact C-N 3.3Å; F5-L7 PolarHBondContact O-N 2.79Å; F5-A8 PolarHBondContact O-N 3.46Å; F5-C9 PolarHBondContact O-N 3.38Å; F5-C9 PolarHBondContact O-SG 3.33Å; F5-T78 HydrophobicContact CD1-CG2 4.02Å; F5-T78 HydrophobicContact CD2-CG2 4Å; F5-T78 HydrophobicContact CE1-CG2 4.13Å; F5-T78 HydrophobicContact CE2-CG2 4.09Å; F5-T78 HydrophobicContact CG-CG2 3.95Å; F5-T78 HydrophobicContact CZ-CG2 4.17Å; F5-E135 HydrophobicContact CE2-CB 3.6Å; F5-E135 HydrophobicContact CE2-CG 4.39Å; F5-E135 HydrophobicContact CZ-CB 3.88Å; F5-E135 WeakPolarHBondContact CZ-O 3.42Å; F5-A138 HydrophobicContact CE1-CB 3.73Å; F5-A138 HydrophobicContact CZ-CB 3.82Å; F5-A139 HydrophobicContact CE1-CB 3.97Å; F5-A139 HydrophobicContact CZ-CB 3.74Å; F5-L142 HydrophobicContact CD1-CD1 3.67Å; F5-L142 HydrophobicContact CE1-CD1 3.99Å
6E98.6Very high97.4Very high112 Ų11252.3 Ų52.352%0.52326%0.261SS..Hα-helixtrans-57.3-47.7173.3-70.8177.2-17600110.5D2 I3 C9 E10D2-E6 PolarHBondContact O-N 2.96Å; I3-E6 WeakPolarHBondContact CD1-OE2 3.48Å; I3-E6 PolarHBondContact O-N 3.32Å; E6-C9 WeakPolarHBondContact O-CB 3.16Å; E6-C9 PolarHBondContact O-N 2.93Å; E6-E10 PolarHBondContact O-N 3.06Å
7L98.7Very high97.4Very high15 Ų1551.5 Ų51.58%0.07926%0.26CS..Hα-helixtrans-65.4-37.2176.3-74.8169.2000113.3I3 F5 C9 E10 A11 S32 R34I3-L7 HydrophobicContact CG2-CD1 4.07Å; I3-L7 WeakPolarHBondContact O-CB 3.42Å; I3-L7 WeakPolarHBondContact O-CD1 3.43Å; I3-L7 WeakPolarHBondContact O-CG 3.46Å; I3-L7 PolarHBondContact O-N 3.29Å; I3-L7 VanDerWaalsContact O-N 3.1Å; F5-L7 VanDerWaalsContact C-N 3.3Å; F5-L7 PolarHBondContact O-N 2.79Å; L7-C9 VanDerWaalsContact C-N 3.32Å; L7-E10 WeakPolarHBondContact O-CB 3.42Å; L7-E10 PolarHBondContact O-N 2.9Å; L7-A11 PolarHBondContact O-N 3.16Å; L7-S32 VanDerWaalsContact CD1-CB 3.5Å; L7-R34 HydrophobicContact CB-CB 4.15Å; L7-R34 WeakPolarHBondContact O-CB 3.05Å; L7-R34 WeakPolarHBondContact O-CD 3.27Å
8A98.7Very high97.4Very high0 Ų048.7 Ų48.70%025%0.246CC..Hα-helixtrans-64.1-38.6172.500000111.7A4 F5 A11 L12 P18 T78 L142A4-A8 WeakPolarHBondContact O-CB 3.4Å; A4-A8 PolarHBondContact O-N 3.26Å; F5-A8 PolarHBondContact O-N 3.46Å; A8-A11 PolarHBondContact O-N 3.33Å; A8-L12 PolarHBondContact O-N 2.86Å; A8-P18 WeakPolarHBondContact CB-O 2.91Å; A8-P18 WeakPolarHBondContact O-CB 3.24Å; A8-T78 HydrophobicContact CB-CG2 3.92Å; A8-L142 HydrophobicContact CB-CD1 3.75Å
9C98.4Very high97.5Very high41 Ų4146.9 Ų46.928%0.27724%0.238SC..Hα-helixtrans-67.2-37.4174-67.30000111.8F5 E6 L7 L12 R13F5-C9 PolarHBondContact O-N 3.38Å; F5-C9 PolarHBondContact O-SG 3.33Å; E6-C9 WeakPolarHBondContact O-CB 3.16Å; E6-C9 PolarHBondContact O-N 2.93Å; L7-C9 VanDerWaalsContact C-N 3.32Å; C9-L12 PolarHBondContact O-N 3.47Å; C9-R13 WeakPolarHBondContact O-CG 3.45Å; C9-R13 PolarHBondContact O-N 3.46Å
10E98.4Very high97.5Very high77 Ų7744.6 Ų44.636%0.3623%0.226SC..Hα-helixtrans-61.7-44.7171.2-73.8177.6-165.300112.2E6 L7 L12 R13 C14 R34E6-E10 PolarHBondContact O-N 3.06Å; L7-E10 WeakPolarHBondContact O-CB 3.42Å; L7-E10 PolarHBondContact O-N 2.9Å; E10-L12 VanDerWaalsContact C-N 3.32Å; E10-L12 PolarHBondContact O-N 2.78Å; E10-R13 PolarHBondContact O-N 2.95Å; E10-C14 PolarHBondContact O-N 3.16Å; E10-C14 VanDerWaalsContact O-N 3.09Å; E10-C14 PolarHBondContact O-SG 3.4Å; E10-R34 IonicContact OE2-NE 2.77Å
11A98.2Very high97.6Very high0 Ų042.5 Ų42.50%022%0.215CC..Hα-helixtrans-57.6-47175.300000110.9L7 A8 R13 C14 N15 E16 R34L7-A11 PolarHBondContact O-N 3.16Å; A8-A11 PolarHBondContact O-N 3.33Å; A11-R13 VanDerWaalsContact C-N 3.32Å; A11-R13 PolarHBondContact O-N 3.19Å; A11-C14 CarbonylContact O-C 3.58Å; A11-C14 WeakPolarHBondContact O-CA 3.46Å; A11-C14 PolarHBondContact O-N 3.17Å; A11-N15 PolarHBondContact O-N 3.02Å; A11-E16 CarbonylContact C-O 3.58Å; A11-E16 HydrophobicContact CB-CB 3.84Å; A11-E16 WeakPolarHBondContact O-CB 3.34Å; A11-E16 PolarHBondContact O-N 2.84Å; A11-R34 HydrophobicContact CB-CB 4.15Å; A11-R34 HydrophobicContact CB-CG 4.36Å
12L97.1Very high97.7Very high22 Ų2241 Ų4112%0.11521%0.208CC..Hα-helixtrans-56.6-44.6176.7-171.957.4000112.6A8 C9 E10 C14 N15 P18 L142 K145 F146A8-L12 PolarHBondContact O-N 2.86Å; C9-L12 PolarHBondContact O-N 3.47Å; E10-L12 VanDerWaalsContact C-N 3.32Å; E10-L12 PolarHBondContact O-N 2.78Å; L12-C14 PolarHBondContact O-N 3.31Å; L12-N15 PolarHBondContact O-N 3.33Å; L12-P18 HydrophobicContact CB-CB 4.03Å; L12-P18 HydrophobicContact CD1-CB 4.49Å; L12-P18 HydrophobicContact CD1-CG 4.47Å; L12-L142 HydrophobicContact CD2-CD2 4.04Å; L12-K145 HydrophobicContact CD2-CB 3.96Å; L12-K145 HydrophobicContact CD2-CD 4.35Å; L12-F146 HydrophobicContact CD1-CB 3.73Å; L12-F146 HydrophobicContact CD1-CD2 4.15Å; L12-F146 HydrophobicContact CD1-CG 4.46Å
13R96.2Very high97.8Very high176 Ų17635.7 Ų35.766%0.66418%0.18SC*.Hα-helixtrans-64.6-25.7178.4-73.4-172.8-66.6-100.17.8112.7C9 E10 A11C9-R13 WeakPolarHBondContact O-CG 3.45Å; C9-R13 PolarHBondContact O-N 3.46Å; E10-R13 PolarHBondContact O-N 2.95Å; A11-R13 VanDerWaalsContact C-N 3.32Å; A11-R13 PolarHBondContact O-N 3.19Å
14C95.3Very high97.8Very high73 Ų7333.9 Ų33.949%0.49317%0.172SC..THydrogen-bonded Turntrans-96.316.8178.2-66.40000113.5E10 A11 L12 E16 R34E10-C14 PolarHBondContact O-N 3.16Å; E10-C14 VanDerWaalsContact O-N 3.09Å; E10-C14 PolarHBondContact O-SG 3.4Å; A11-C14 CarbonylContact O-C 3.58Å; A11-C14 WeakPolarHBondContact O-CA 3.46Å; A11-C14 PolarHBondContact O-N 3.17Å; L12-C14 PolarHBondContact O-N 3.31Å; C14-E16 PolarHBondContact O-N 2.88Å; C14-R34 PolarHBondContact SG-NH2 2.85Å
15N94.2Very high97.8Very high86 Ų8635.8 Ų35.846%0.4618%0.179SC..THydrogen-bonded Turntrans55.336.4-176.5-64.6-23.8000113.2A11 L12 N38A11-N15 PolarHBondContact O-N 3.02Å; L12-N15 PolarHBondContact O-N 3.33Å; N15-N38 PolarHBondContact O-ND2 3.42Å
16E96.4Very high97.6Very high2 Ų240.3 Ų40.31%0.00920%0.204CC..SBendtrans-106154.9170.9-69.5-78.4-170.900110.1A11 C14 N35 E36 V37 N38 A39 F146A11-E16 CarbonylContact C-O 3.58Å; A11-E16 HydrophobicContact CB-CB 3.84Å; A11-E16 WeakPolarHBondContact O-CB 3.34Å; A11-E16 PolarHBondContact O-N 2.84Å; C14-E16 PolarHBondContact O-N 2.88Å; E16-N35 HydrophobicContact CB-CB 4.42Å; E16-N35 WeakPolarHBondContact CG-O 3.41Å; E16-N35 PolarHBondContact OE2-ND2 3.35Å; E16-E36 WeakPolarHBondContact OE1-CA 3.42Å; E16-V37 PolarHBondContact OE1-N 3.14Å; E16-V37 PolarHBondContact OE2-N 3.07Å; E16-N38 WeakPolarHBondContact OE1-CA 3.44Å; E16-N38 WeakPolarHBondContact OE1-CB 3.36Å; E16-N38 PolarHBondContact OE1-N 3.38Å; E16-N38 PolarHBondContact OE2-N 2.85Å; E16-A39 PolarHBondContact OE1-N 3.01Å; E16-F146 VanDerWaalsContact C-CE2 3.47Å; E16-F146 WeakPolarHBondContact O-CD2 3.5Å; E16-F146 WeakPolarHBondContact O-CE2 3.5Å
17V97Very high97.5Very high40 Ų4038.4 Ų38.424%0.24222%0.215CC..  trans-56.7127.4171.9-174.70000108.1V19 N35 L143 F146V17-V19 HydrophobicContact CG1-CG2 4.03Å; V17-V19 PolarHBondContact O-N 2.95Å; V17-N35 WeakPolarHBondContact O-CB 3.39Å; V17-L143 HydrophobicContact CG1-CD2 3.99Å; V17-F146 HydrophobicContact CB-CE1 4.47Å; V17-F146 HydrophobicContact CG2-CD1 4.46Å; V17-F146 HydrophobicContact CG2-CE1 3.77Å; V17-F146 HydrophobicContact CG2-CZ 3.88Å
18P98.1Very high97.4Very high1 Ų144.5 Ų44.51%0.00624%0.243CC..  trans-79.971.7-167.532.3-38000112A8 L12 L142 L143 F146A8-P18 WeakPolarHBondContact CB-O 2.91Å; A8-P18 WeakPolarHBondContact O-CB 3.24Å; L12-P18 HydrophobicContact CB-CB 4.03Å; L12-P18 HydrophobicContact CD1-CB 4.49Å; L12-P18 HydrophobicContact CD1-CG 4.47Å; P18-L142 HydrophobicContact CB-CB 4.03Å; P18-L142 HydrophobicContact CG-CB 3.98Å; P18-L142 WeakPolarHBondContact CG-O 3.4Å; P18-L143 HydrophobicContact CG-CD2 4.15Å; P18-F146 HydrophobicContact CG-CB 3.9Å
19V98.8Very high97.4Very high15 Ų1547.6 Ų47.69%0.09126%0.262CS..  trans-116.4127.2173.4-169.60000108.2V17 R34 N35 A47 V77 T78 V79V17-V19 HydrophobicContact CG1-CG2 4.03Å; V17-V19 PolarHBondContact O-N 2.95Å; V19-R34 CarbonylContact O-C 3.53Å; V19-R34 VanDerWaalsContact O-CA 3.29Å; V19-R34 WeakPolarHBondContact O-CA 3.4Å; V19-N35 PolarHBondContact O-N 2.84Å; V19-A47 HydrophobicContact CB-CB 4.07Å; V19-A47 HydrophobicContact CG1-CB 3.72Å; V19-A47 WeakPolarHBondContact O-CB 3.29Å; V19-V77 HydrophobicContact CG1-CG2 3.78Å; V19-T78 WeakPolarHBondContact CA-OG1 3.32Å; V19-V79 HydrophobicContact CG1-CB 4.37Å; V19-V79 HydrophobicContact CG2-CB 4.23Å; V19-V79 HydrophobicContact CG2-CG2 4Å
20G98.8Very high97.4Very high0 Ų046.4 Ų46.40%025%0.252CS..EExtended strand (participates in β ladder)trans-123.6155.4171.200000110A4 G33 V77 T78A4-G20 VanDerWaalsContact O-CA 3.28Å; A4-G20 WeakPolarHBondContact O-CA 3.26Å; G20-G33 CarbonylContact C-O 3.54Å; G20-G33 WeakPolarHBondContact CA-O 3.46Å; G20-V77 WeakPolarHBondContact O-CA 3.26Å; G20-T78 PolarHBondContact N-OG1 2.82Å; G20-T78 PolarHBondContact O-N 3.17Å
21C98.9Very high97.4Very high0 Ų043.1 Ų43.10%024%0.238CC..EExtended strand (participates in β ladder)trans-149.6146.7-171.7-172.90000110.9S32 G33 A47 T51 L75 F76 V77C21-S32 CarbonylContact O-C 3.6Å; C21-S32 VanDerWaalsContact O-CA 3.26Å; C21-S32 WeakPolarHBondContact O-CA 3.36Å; C21-G33 PolarHBondContact N-O 2.79Å; C21-G33 PolarHBondContact O-N 3Å; C21-A47 HydrophobicContact CB-CB 3.74Å; C21-T51 WeakPolarHBondContact CB-OG1 3.33Å; C21-T51 PolarHBondContact O-OG1 3.45Å; C21-L75 WeakPolarHBondContact SG-CD1 3.5Å; C21-F76 CarbonylContact C-O 3.53Å; C21-F76 WeakPolarHBondContact CA-O 3.15Å; C21-F76 PolarHBondContact SG-O 2.8Å; C21-V77 HydrophobicContact CB-CB 4.3Å; C21-V77 HydrophobicContact CB-CG2 4.13Å
22A98.8Very high97.4Very high3 Ų344.7 Ų44.73%0.02525%0.249CC..EExtended strand (participates in β ladder)trans-150.6138.3179.500000112.4I3 V29 A31 F76I3-A22 HydrophobicContact CG2-CB 4.37Å; A22-V29 HydrophobicContact CB-CG1 4.14Å; A22-A31 CarbonylContact C-O 3.53Å; A22-A31 WeakPolarHBondContact CA-O 3.37Å; A22-F76 PolarHBondContact N-O 3.44Å; A22-F76 PolarHBondContact O-N 3.25Å
23F98.7Very high97.5Very high0 Ų043.7 Ų43.70%024%0.244CC..EExtended strand (participates in β ladder)trans-90.1130.7164.2-79.3-67.4000110.3V29 I30 A31 T51 I52 L55 C73 D74 L75 L97F23-V29 WeakPolarHBondContact O-CA 3.36Å; F23-I30 HydrophobicContact CB-CG1 4.06Å; F23-I30 PolarHBondContact O-N 2.89Å; F23-A31 HydrophobicContact CB-CB 4.38Å; F23-A31 HydrophobicContact CD2-CB 4.31Å; F23-A31 PolarHBondContact N-O 3.1Å; F23-T51 HydrophobicContact CD2-CG2 3.52Å; F23-T51 HydrophobicContact CE2-CG2 3.9Å; F23-T51 HydrophobicContact CG-CG2 4.42Å; F23-I52 HydrophobicContact CE2-CG1 4Å; F23-I52 HydrophobicContact CZ-CG1 4.11Å; F23-L55 HydrophobicContact CB-CD1 4.43Å; F23-L55 HydrophobicContact CD1-CD2 4.18Å; F23-L55 HydrophobicContact CD2-CB 3.7Å; F23-L55 HydrophobicContact CD2-CD1 4.37Å; F23-L55 HydrophobicContact CD2-CD2 3.62Å; F23-L55 HydrophobicContact CD2-CG 4.09Å; F23-L55 HydrophobicContact CE1-CD2 4.18Å; F23-L55 HydrophobicContact CE2-CB 3.96Å; F23-L55 HydrophobicContact CE2-CD2 3.61Å; F23-L55 HydrophobicContact CE2-CG 4.37Å; F23-L55 HydrophobicContact CG-CD1 4.43Å; F23-L55 HydrophobicContact CG-CD2 3.92Å; F23-L55 HydrophobicContact CZ-CD2 3.89Å; F23-C73 HydrophobicContact CD1-CB 4.18Å; F23-D74 WeakPolarHBondContact CA-O 3.34Å; F23-L75 HydrophobicContact CD1-CB 4.14Å; F23-L75 HydrophobicContact CD1-CD1 3.78Å; F23-L75 HydrophobicContact CD2-CD1 4.16Å; F23-L75 HydrophobicContact CE1-CB 3.84Å; F23-L75 HydrophobicContact CE1-CD1 3.55Å; F23-L75 HydrophobicContact CE1-CD2 4.39Å; F23-L75 HydrophobicContact CE1-CG 4.12Å; F23-L75 HydrophobicContact CE2-CD1 3.96Å; F23-L75 HydrophobicContact CG-CD1 4.07Å; F23-L75 HydrophobicContact CZ-CD1 3.67Å; F23-L75 HydrophobicContact CZ-CD2 4.42Å; F23-L75 HydrophobicContact CZ-CG 4.45Å; F23-L97 HydrophobicContact CD1-CD2 4.05Å; F23-L97 HydrophobicContact CE1-CD1 3.74Å; F23-L97 HydrophobicContact CE1-CD2 3.37Å; F23-L97 HydrophobicContact CE1-CG 4.18Å; F23-L97 HydrophobicContact CZ-CD1 4.3Å; F23-L97 HydrophobicContact CZ-CD2 4.26Å
24V98.5Very high97.6Very high26 Ų2637.1 Ų37.116%0.15822%0.219CC..EExtended strand (participates in β ladder)trans-114.1127.3175.4178.60000109.3E28 V29 C73 D74 F76V24-E28 CarbonylContact C-O 3.58Å; V24-E28 VanDerWaalsContact CA-O 3.26Å; V24-E28 WeakPolarHBondContact CA-O 3.33Å; V24-V29 HydrophobicContact CG2-CG2 4.08Å; V24-C73 WeakPolarHBondContact O-CA 3.47Å; V24-D74 PolarHBondContact N-O 2.77Å; V24-D74 PolarHBondContact O-N 2.9Å; V24-F76 HydrophobicContact CB-CD2 4.34Å; V24-F76 HydrophobicContact CB-CE2 3.98Å; V24-F76 HydrophobicContact CG2-CD2 3.69Å; V24-F76 HydrophobicContact CG2-CE2 3.68Å
25Y97.5Very high97.8Very high40 Ų4034.1 Ų34.116%0.15720%0.198CC..EExtended strand (participates in β ladder)trans-127.6123.7177.3177.8-106.2000108.5G27 E28 I30 I69 E72Y25-G27 PolarHBondContact O-N 3.46Å; Y25-G27 VanDerWaalsContact O-N 3.16Å; Y25-E28 PolarHBondContact N-O 3.4Å; Y25-E28 PolarHBondContact O-N 3.46Å; Y25-I30 HydrophobicContact CD1-CG2 4.49Å; Y25-I30 HydrophobicContact CG-CD1 4.31Å; Y25-I69 HydrophobicContact CD2-CD1 4.32Å; Y25-I69 HydrophobicContact CD2-CG2 4.32Å; Y25-I69 HydrophobicContact CE1-CD1 4.16Å; Y25-I69 HydrophobicContact CE2-CD1 3.87Å; Y25-E72 HydrophobicContact CD2-CB 3.91Å; Y25-E72 HydrophobicContact CE2-CB 3.61Å; Y25-E72 HydrophobicContact CE2-CG 4.26Å; Y25-E72 WeakPolarHBondContact CE2-OE2 3.34Å; Y25-E72 VanDerWaalsContact CZ-OE2 3.32Å; Y25-E72 PolarHBondContact OH-OE2 3.13Å
26N94.8Very high98Very high118 Ų11831.8 Ų31.863%0.63118%0.184SC*.THydrogen-bonded Turntrans50.937.8-177.3-66.6-23.2000114.3E28N26-E28 VanDerWaalsContact C-N 3.25Å; N26-E28 PolarHBondContact O-N 3.24Å
27G95.3Very high98.1Very high72 Ų7233.1 Ų33.174%0.74219%0.193SC*.THydrogen-bonded Turntrans80.4-1.4-179.800000114.8Y25Y25-G27 PolarHBondContact O-N 3.46Å; Y25-G27 VanDerWaalsContact O-N 3.16Å
28E97.6Very high98Very high142 Ų14235.9 Ų35.966%0.66421%0.206SC*.EExtended strand (participates in β ladder)trans-108.7142.2178.9-63.2-172.2168.100111.7V24 Y25 N26 I30V24-E28 CarbonylContact C-O 3.58Å; V24-E28 VanDerWaalsContact CA-O 3.26Å; V24-E28 WeakPolarHBondContact CA-O 3.33Å; Y25-E28 PolarHBondContact N-O 3.4Å; Y25-E28 PolarHBondContact O-N 3.46Å; N26-E28 VanDerWaalsContact C-N 3.25Å; N26-E28 PolarHBondContact O-N 3.24Å; E28-I30 PolarHBondContact O-N 3.23Å
29V98.4Very high97.9Very high66 Ų6639.7 Ų39.740%0.424%0.238SC..EExtended strand (participates in β ladder)trans-76.7114172.5176.80000109.1I3 A22 F23 V24I3-V29 HydrophobicContact CB-CG2 4.45Å; I3-V29 HydrophobicContact CG1-CG2 4.12Å; I3-V29 HydrophobicContact CG2-CG1 4.47Å; I3-V29 HydrophobicContact CG2-CG2 4.5Å; A22-V29 HydrophobicContact CB-CG1 4.14Å; F23-V29 WeakPolarHBondContact O-CA 3.36Å; V24-V29 HydrophobicContact CG2-CG2 4.08Å
30I98.4Very high97.8Very high16 Ų1641.7 Ų41.78%0.08225%0.25CS..EExtended strand (participates in β ladder)trans-99.8-22-179.357.5163.5000113.2F23 Y25 E28 L55 W58 I69F23-I30 HydrophobicContact CB-CG1 4.06Å; F23-I30 PolarHBondContact O-N 2.89Å; Y25-I30 HydrophobicContact CD1-CG2 4.49Å; Y25-I30 HydrophobicContact CG-CD1 4.31Å; E28-I30 PolarHBondContact O-N 3.23Å; I30-L55 HydrophobicContact CD1-CD1 3.31Å; I30-L55 HydrophobicContact CG1-CD1 3.98Å; I30-W58 HydrophobicContact CB-CD2 3.93Å; I30-W58 HydrophobicContact CB-CE3 4.32Å; I30-W58 HydrophobicContact CB-CG 4.35Å; I30-W58 HydrophobicContact CB-CH2 4.38Å; I30-W58 HydrophobicContact CB-CZ2 3.98Å; I30-W58 HydrophobicContact CD1-CD2 4.44Å; I30-W58 HydrophobicContact CD1-CE3 3.98Å; I30-W58 HydrophobicContact CD1-CH2 4.3Å; I30-W58 HydrophobicContact CD1-CZ3 3.91Å; I30-W58 HydrophobicContact CG2-CD2 4.46Å; I30-W58 HydrophobicContact CG2-CH2 3.99Å; I30-W58 HydrophobicContact CG2-CZ2 3.57Å; I30-I69 HydrophobicContact CD1-CG2 3.6Å
31A98.6Very high97.7Very high8 Ų852.8 Ų52.87%0.06629%0.292CS..EExtended strand (participates in β ladder)trans-152.6145173.200000109.8A22 F23 T51 R54 L55A22-A31 CarbonylContact C-O 3.53Å; A22-A31 WeakPolarHBondContact CA-O 3.37Å; F23-A31 HydrophobicContact CB-CB 4.38Å; F23-A31 HydrophobicContact CD2-CB 4.31Å; F23-A31 PolarHBondContact N-O 3.1Å; A31-T51 HydrophobicContact CB-CG2 4.45Å; A31-R54 HydrophobicContact CB-CB 4.16Å; A31-L55 HydrophobicContact CB-CB 3.83Å; A31-L55 HydrophobicContact CB-CD1 4.39Å
32S98.8Very high97.7Very high33 Ų3355.7 Ų55.723%0.23131%0.307CS..EExtended strand (participates in β ladder)trans-153153.717969.20000111L7 C21 R54L7-S32 VanDerWaalsContact CD1-CB 3.5Å; C21-S32 CarbonylContact O-C 3.6Å; C21-S32 VanDerWaalsContact O-CA 3.26Å; C21-S32 WeakPolarHBondContact O-CA 3.36Å; S32-R54 WeakPolarHBondContact O-CD 3.37Å; S32-R54 PolarHBondContact O-NH1 2.88Å
33G98.7Very high97.7Very high0 Ų059.1 Ų59.10%034%0.336CS..EExtended strand (participates in β ladder)trans-162.2163.5-173.900000112.2G20 C21 T51G20-G33 CarbonylContact C-O 3.54Å; G20-G33 WeakPolarHBondContact CA-O 3.46Å; C21-G33 PolarHBondContact N-O 2.79Å; C21-G33 PolarHBondContact O-N 3Å; G33-T51 VanDerWaalsContact CA-OG1 3.24Å; G33-T51 WeakPolarHBondContact CA-OG1 3.4Å; G33-T51 PolarHBondContact N-OG1 2.78Å
34R98.7Very high97.6Very high39 Ų3961.3 Ų61.315%0.14735%0.35CS..EExtended strand (participates in β ladder)trans-130.7170.9176.965.1-178.918082.1-8.5110.1L7 E10 A11 C14 V19 E36L7-R34 HydrophobicContact CB-CB 4.15Å; L7-R34 WeakPolarHBondContact O-CB 3.05Å; L7-R34 WeakPolarHBondContact O-CD 3.27Å; E10-R34 IonicContact OE2-NE 2.77Å; A11-R34 HydrophobicContact CB-CB 4.15Å; A11-R34 HydrophobicContact CB-CG 4.36Å; C14-R34 PolarHBondContact SG-NH2 2.85Å; V19-R34 CarbonylContact O-C 3.53Å; V19-R34 VanDerWaalsContact O-CA 3.29Å; V19-R34 WeakPolarHBondContact O-CA 3.4Å; R34-E36 HydrophobicContact CG-CG 4.28Å; R34-E36 PolarHBondContact O-N 2.84Å
35N98.7Very high97.6Very high10 Ų1061.2 Ų61.25%0.05335%0.347CS..  trans-60.3131.5171-162.379000110.2E16 V17 V19E16-N35 HydrophobicContact CB-CB 4.42Å; E16-N35 WeakPolarHBondContact CG-O 3.41Å; E16-N35 PolarHBondContact OE2-ND2 3.35Å; V17-N35 WeakPolarHBondContact O-CB 3.39Å; V19-N35 PolarHBondContact O-N 2.84Å
36E98.4Very high97.7Very high36 Ų3661.8 Ų61.817%0.16835%0.351CS..  trans-135.219-176.8-69.5176.9-175.400111.6E16 R34 N38 A39 T40 Q45 V50 R54E16-E36 WeakPolarHBondContact OE1-CA 3.42Å; R34-E36 HydrophobicContact CG-CG 4.28Å; R34-E36 PolarHBondContact O-N 2.84Å; E36-N38 PolarHBondContact O-N 2.96Å; E36-A39 PolarHBondContact O-N 2.97Å; E36-T40 HydrophobicContact CB-CG2 4.01Å; E36-T40 WeakPolarHBondContact O-CB 3.04Å; E36-T40 VanDerWaalsContact O-CG2 3.31Å; E36-T40 WeakPolarHBondContact O-CG2 3.21Å; E36-T40 PolarHBondContact O-N 2.77Å; E36-T40 PolarHBondContact O-OG1 3.07Å; E36-Q45 HydrophobicContact CB-CB 4.29Å; E36-Q45 PolarHBondContact N-O 3.25Å; E36-V50 HydrophobicContact CB-CG2 4.37Å; E36-V50 HydrophobicContact CG-CG2 4.47Å; E36-R54 IonicContact OE1-CZ 3.86Å; E36-R54 IonicContact OE1-NH2 3.93Å; E36-R54 PolarHBondContact OE1-NH2 3.28Å; E36-R54 IonicContact OE2-NH2 2.84Å
37V98.2Very high97.9Very high31 Ų3156.2 Ų56.219%0.18832%0.321CS..Hα-helixtrans-57.9-48-174.7171.60000112.3E16 R41 D42 Q45E16-V37 PolarHBondContact OE1-N 3.14Å; E16-V37 PolarHBondContact OE2-N 3.07Å; V37-R41 VanDerWaalsContact O-CA 3.27Å; V37-R41 WeakPolarHBondContact O-CA 3.28Å; V37-R41 PolarHBondContact O-N 3.29Å; V37-D42 PolarHBondContact O-N 3.26Å; V37-Q45 HydrophobicContact CG2-CB 4.49Å
38N95.5Very high98Very high97 Ų9753.1 Ų53.152%0.51929%0.288SS..Hα-helixtrans-69.6-44.4-179.1-64.8-28.8000111.2N15 E16 E36 T40 R41N15-N38 PolarHBondContact O-ND2 3.42Å; E16-N38 WeakPolarHBondContact OE1-CA 3.44Å; E16-N38 WeakPolarHBondContact OE1-CB 3.36Å; E16-N38 PolarHBondContact OE1-N 3.38Å; E16-N38 PolarHBondContact OE2-N 2.85Å; E36-N38 PolarHBondContact O-N 2.96Å; N38-T40 VanDerWaalsContact C-N 3.33Å; N38-T40 PolarHBondContact O-N 3.08Å; N38-R41 PolarHBondContact O-N 3.3Å
39A96.3Very high98.1Very high81 Ų8147.9 Ų47.967%0.66926%0.263SS*.Hα-helixtrans-63.3-39.4-17800000112.3E16 E36E16-A39 PolarHBondContact OE1-N 3.01Å; E36-A39 PolarHBondContact O-N 2.97Å
40T97.1Very high98.1Very high58 Ų5844.9 Ų44.936%0.35625%0.246SC..Hα-helixtrans-91.5-16.7-178.360.10000113.4E36 N38 D42 Q45E36-T40 HydrophobicContact CB-CG2 4.01Å; E36-T40 WeakPolarHBondContact O-CB 3.04Å; E36-T40 VanDerWaalsContact O-CG2 3.31Å; E36-T40 WeakPolarHBondContact O-CG2 3.21Å; E36-T40 PolarHBondContact O-N 2.77Å; E36-T40 PolarHBondContact O-OG1 3.07Å; N38-T40 VanDerWaalsContact C-N 3.33Å; N38-T40 PolarHBondContact O-N 3.08Å; T40-D42 PolarHBondContact O-N 3.12Å; T40-D42 PolarHBondContact OG1-N 3.38Å; T40-Q45 HydrophobicContact CG2-CB 4.45Å; T40-Q45 HydrophobicContact CG2-CG 4.11Å; T40-Q45 WeakPolarHBondContact OG1-CB 3.49Å; T40-Q45 VanDerWaalsContact OG1-CG 3.28Å; T40-Q45 WeakPolarHBondContact OG1-CG 3.37Å
41R96.9Very high98.1Very high232 Ų23244.1 Ų44.188%0.87524%0.242SC*.THydrogen-bonded Turntrans56.729.3-170-53.5-179.6177.9-176.8-1.5113V37 N38V37-R41 VanDerWaalsContact O-CA 3.27Å; V37-R41 WeakPolarHBondContact O-CA 3.28Å; V37-R41 PolarHBondContact O-N 3.29Å; N38-R41 PolarHBondContact O-N 3.3Å
42D98.1Very high98.1Very high61 Ų6144.3 Ų44.333%0.32624%0.241SC..  trans-119.9115.7176.8176.2-5.7000109.1V37 T40 T44 Q45V37-D42 PolarHBondContact O-N 3.26Å; T40-D42 PolarHBondContact O-N 3.12Å; T40-D42 PolarHBondContact OG1-N 3.38Å; D42-T44 VanDerWaalsContact CG-OG1 3.28Å; D42-T44 PolarHBondContact O-N 3.2Å; D42-T44 WeakPolarHBondContact OD1-CB 3.38Å; D42-T44 WeakPolarHBondContact OD1-CG2 3.25Å; D42-T44 PolarHBondContact OD1-N 3.43Å; D42-T44 PolarHBondContact OD1-OG1 3.43Å; D42-T44 PolarHBondContact OD2-OG1 3.3Å; D42-Q45 HydrophobicContact CB-CG 3.65Å; D42-Q45 WeakPolarHBondContact O-CB 3.44Å; D42-Q45 PolarHBondContact O-N 2.9Å; D42-Q45 VanDerWaalsContact O-N 3.1Å
43A97.6Very high98.1Very high75 Ų7547.1 Ų47.162%0.6225%0.247SC*.THydrogen-bonded Turntrans-61.8-15.1-178.600000113.6H46A43-H46 PolarHBondContact O-NE2 3.09Å
44T98.3Very high98.1Very high47 Ų4752 Ų5229%0.28827%0.265SS..THydrogen-bonded Turntrans-88.2-8.9178.9750000113.6D42 H46 M49 R53 M84D42-T44 VanDerWaalsContact CG-OG1 3.28Å; D42-T44 PolarHBondContact O-N 3.2Å; D42-T44 WeakPolarHBondContact OD1-CB 3.38Å; D42-T44 WeakPolarHBondContact OD1-CG2 3.25Å; D42-T44 PolarHBondContact OD1-N 3.43Å; D42-T44 PolarHBondContact OD1-OG1 3.43Å; D42-T44 PolarHBondContact OD2-OG1 3.3Å; T44-H46 PolarHBondContact O-N 3.46Å; T44-M49 VanDerWaalsContact O-CB 3.23Å; T44-M49 WeakPolarHBondContact O-CB 3.38Å; T44-M49 WeakPolarHBondContact O-CG 3.4Å; T44-R53 PolarHBondContact OG1-NH2 3.18Å; T44-M84 HydrophobicContact CG2-SD 4.25Å
45Q98.4Very high98.1Very high24 Ų2450.1 Ų50.111%0.11226%0.258CS..  trans-79.750.8-174-65.9-70.697.500113.1E36 V37 T40 D42 V50 R53E36-Q45 HydrophobicContact CB-CB 4.29Å; E36-Q45 PolarHBondContact N-O 3.25Å; V37-Q45 HydrophobicContact CG2-CB 4.49Å; T40-Q45 HydrophobicContact CG2-CB 4.45Å; T40-Q45 HydrophobicContact CG2-CG 4.11Å; T40-Q45 WeakPolarHBondContact OG1-CB 3.49Å; T40-Q45 VanDerWaalsContact OG1-CG 3.28Å; T40-Q45 WeakPolarHBondContact OG1-CG 3.37Å; D42-Q45 HydrophobicContact CB-CG 3.65Å; D42-Q45 WeakPolarHBondContact O-CB 3.44Å; D42-Q45 PolarHBondContact O-N 2.9Å; D42-Q45 VanDerWaalsContact O-N 3.1Å; Q45-V50 HydrophobicContact CB-CG2 4.28Å; Q45-R53 VanDerWaalsContact OE1-NH2 3.14Å
46H98.8Very high98.1Very high52 Ų5253 Ų5324%0.24127%0.271CS..  trans-71.3158.2169-70.2-162.3000110.8A43 T44 E48 M49 V50 C82 M84A43-H46 PolarHBondContact O-NE2 3.09Å; T44-H46 PolarHBondContact O-N 3.46Å; H46-E48 VanDerWaalsContact C-N 3.29Å; H46-E48 PolarHBondContact O-N 2.88Å; H46-M49 HydrophobicContact CB-CG 4.36Å; H46-M49 PolarHBondContact O-N 3.23Å; H46-M49 VanDerWaalsContact O-N 3.07Å; H46-V50 WeakPolarHBondContact O-CG2 3.37Å; H46-V50 PolarHBondContact O-N 3.01Å; H46-C82 VanDerWaalsContact CE1-SG 3.58Å; H46-C82 PolarHBondContact ND1-SG 2.93Å; H46-C82 VanDerWaalsContact ND1-SG 3.38Å; H46-M84 HydrophobicContact CB-CE 4.19Å
47A98.8Very high98.1Very high0 Ų055.1 Ų55.10%028%0.281CS..Hα-helixtrans-53.8-44.1-176.300000112.9V19 C21 V50 T51V19-A47 HydrophobicContact CB-CB 4.07Å; V19-A47 HydrophobicContact CG1-CB 3.72Å; V19-A47 WeakPolarHBondContact O-CB 3.29Å; C21-A47 HydrophobicContact CB-CB 3.74Å; A47-V50 PolarHBondContact O-N 3.21Å; A47-T51 VanDerWaalsContact O-CB 3.25Å; A47-T51 WeakPolarHBondContact O-CB 3.48Å; A47-T51 PolarHBondContact O-N 2.92Å; A47-T51 PolarHBondContact O-OG1 3.32Å
48E98.8Very high98.1Very high8 Ų856.5 Ų56.54%0.03728%0.283CS..Hα-helixtrans-65.4-43.4179.3-52.395.6115.100111.3H46 T51 I52 V77 P81 C85 I89H46-E48 VanDerWaalsContact C-N 3.29Å; H46-E48 PolarHBondContact O-N 2.88Å; E48-T51 PolarHBondContact O-N 3.35Å; E48-I52 VanDerWaalsContact O-CG1 3.27Å; E48-I52 WeakPolarHBondContact O-CG1 3.19Å; E48-I52 PolarHBondContact O-N 2.92Å; E48-V77 HydrophobicContact CG-CG2 4Å; E48-P81 WeakPolarHBondContact OE1-CA 3.28Å; E48-P81 WeakPolarHBondContact OE1-CB 3.43Å; E48-C85 HydrophobicContact CB-CB 3.99Å; E48-C85 HydrophobicContact CG-CB 4.13Å; E48-C85 VanDerWaalsContact OE1-CB 3.24Å; E48-C85 WeakPolarHBondContact OE1-CB 3.27Å; E48-I89 HydrophobicContact CB-CD1 4.35Å
49M98.8Very high98.2Very high31 Ų3152 Ų5215%0.15326%0.26CS..Hα-helixtrans-67.1-39.3179.2-64.4-55.8-62.900112T44 H46 T51 I52 R53 M84 A88T44-M49 VanDerWaalsContact O-CB 3.23Å; T44-M49 WeakPolarHBondContact O-CB 3.38Å; T44-M49 WeakPolarHBondContact O-CG 3.4Å; H46-M49 HydrophobicContact CB-CG 4.36Å; H46-M49 PolarHBondContact O-N 3.23Å; H46-M49 VanDerWaalsContact O-N 3.07Å; M49-T51 VanDerWaalsContact C-N 3.33Å; M49-I52 HydrophobicContact SD-CD1 4.37Å; M49-R53 VanDerWaalsContact C-NH1 3.32Å; M49-R53 WeakPolarHBondContact O-CG 3.43Å; M49-R53 PolarHBondContact O-N 3.41Å; M49-R53 PolarHBondContact O-NH1 3.06Å; M49-M84 HydrophobicContact CG-CE 3.88Å; M49-A88 HydrophobicContact CE-CB 4.11Å; M49-A88 HydrophobicContact SD-CB 3.56Å; M49-A88 VanDerWaalsContact SD-CB 3.56Å
50V98.7Very high98.3Very high4 Ų454.9 Ų54.92%0.02425%0.253CS..Hα-helixtrans-62.7-44.2172.4172.70000109.9E36 Q45 H46 A47 R53 R54E36-V50 HydrophobicContact CB-CG2 4.37Å; E36-V50 HydrophobicContact CG-CG2 4.47Å; Q45-V50 HydrophobicContact CB-CG2 4.28Å; H46-V50 WeakPolarHBondContact O-CG2 3.37Å; H46-V50 PolarHBondContact O-N 3.01Å; A47-V50 PolarHBondContact O-N 3.21Å; V50-R53 PolarHBondContact O-N 3.49Å; V50-R54 WeakPolarHBondContact O-CG 3.35Å; V50-R54 PolarHBondContact O-N 3.43Å
51T98.8Very high98.4Very high0 Ų057.3 Ų57.30%026%0.264CS..Hα-helixtrans-68.3-38.8-177.3-570000112.4C21 F23 A31 G33 A47 E48 M49 R54 L55C21-T51 WeakPolarHBondContact CB-OG1 3.33Å; C21-T51 PolarHBondContact O-OG1 3.45Å; F23-T51 HydrophobicContact CD2-CG2 3.52Å; F23-T51 HydrophobicContact CE2-CG2 3.9Å; F23-T51 HydrophobicContact CG-CG2 4.42Å; A31-T51 HydrophobicContact CB-CG2 4.45Å; G33-T51 VanDerWaalsContact CA-OG1 3.24Å; G33-T51 WeakPolarHBondContact CA-OG1 3.4Å; G33-T51 PolarHBondContact N-OG1 2.78Å; A47-T51 VanDerWaalsContact O-CB 3.25Å; A47-T51 WeakPolarHBondContact O-CB 3.48Å; A47-T51 PolarHBondContact O-N 2.92Å; A47-T51 PolarHBondContact O-OG1 3.32Å; E48-T51 PolarHBondContact O-N 3.35Å; M49-T51 VanDerWaalsContact C-N 3.33Å; T51-R54 PolarHBondContact O-N 3.3Å; T51-L55 PolarHBondContact O-N 2.99Å
52I98.6Very high98.4Very high11 Ų1150 Ų506%0.05624%0.242CC..Hα-helixtrans-59.1-50.1172.6-72.1164.3000110.9F23 E48 M49 R54 L55 E56 I89 L93F23-I52 HydrophobicContact CE2-CG1 4Å; F23-I52 HydrophobicContact CZ-CG1 4.11Å; E48-I52 VanDerWaalsContact O-CG1 3.27Å; E48-I52 WeakPolarHBondContact O-CG1 3.19Å; E48-I52 PolarHBondContact O-N 2.92Å; M49-I52 HydrophobicContact SD-CD1 4.37Å; I52-R54 VanDerWaalsContact C-N 3.25Å; I52-R54 PolarHBondContact O-N 2.92Å; I52-L55 WeakPolarHBondContact O-CB 3.31Å; I52-L55 PolarHBondContact O-N 2.8Å; I52-L55 VanDerWaalsContact O-N 3.08Å; I52-E56 WeakPolarHBondContact O-CG 3.36Å; I52-E56 PolarHBondContact O-N 3.3Å; I52-I89 HydrophobicContact CD1-CG1 3.85Å; I52-L93 HydrophobicContact CG2-CD2 3.84Å
53R98.4Very high98.4Very high92 Ų9256 Ų5635%0.34727%0.268SS..Hα-helixtrans-60.9-37.2179-68.3-179.3-172.2102-19.4112T44 Q45 M49 V50 Q57T44-R53 PolarHBondContact OG1-NH2 3.18Å; Q45-R53 VanDerWaalsContact OE1-NH2 3.14Å; M49-R53 VanDerWaalsContact C-NH1 3.32Å; M49-R53 WeakPolarHBondContact O-CG 3.43Å; M49-R53 PolarHBondContact O-N 3.41Å; M49-R53 PolarHBondContact O-NH1 3.06Å; V50-R53 PolarHBondContact O-N 3.49Å; R53-Q57 PolarHBondContact O-N 3.4Å; R53-Q57 VanDerWaalsContact O-N 3.07Å
54R98.6Very high98.4Very high102 Ų10257.2 Ų57.239%0.38526%0.26SS..Hα-helixtrans-69.3-36.7175.3-71.3175.2-176.8-174.97.5112.2A31 S32 E36 V50 T51 I52 Q57 W58A31-R54 HydrophobicContact CB-CB 4.16Å; S32-R54 WeakPolarHBondContact O-CD 3.37Å; S32-R54 PolarHBondContact O-NH1 2.88Å; E36-R54 IonicContact OE1-CZ 3.86Å; E36-R54 IonicContact OE1-NH2 3.93Å; E36-R54 PolarHBondContact OE1-NH2 3.28Å; E36-R54 IonicContact OE2-NH2 2.84Å; V50-R54 WeakPolarHBondContact O-CG 3.35Å; V50-R54 PolarHBondContact O-N 3.43Å; T51-R54 PolarHBondContact O-N 3.3Å; I52-R54 VanDerWaalsContact C-N 3.25Å; I52-R54 PolarHBondContact O-N 2.92Å; R54-Q57 PolarHBondContact O-N 3.18Å; R54-W58 WeakPolarHBondContact O-CB 3.38Å; R54-W58 PolarHBondContact O-N 2.86Å
55L98.6Very high98.4Very high1 Ų160.3 Ų60.31%0.00527%0.271CS..Hα-helixtrans-61.6-47.7172.3176.765.8000111.3F23 I30 A31 T51 I52 Q57 W58 C59 L66 I69 L70F23-L55 HydrophobicContact CB-CD1 4.43Å; F23-L55 HydrophobicContact CD1-CD2 4.18Å; F23-L55 HydrophobicContact CD2-CB 3.7Å; F23-L55 HydrophobicContact CD2-CD1 4.37Å; F23-L55 HydrophobicContact CD2-CD2 3.62Å; F23-L55 HydrophobicContact CD2-CG 4.09Å; F23-L55 HydrophobicContact CE1-CD2 4.18Å; F23-L55 HydrophobicContact CE2-CB 3.96Å; F23-L55 HydrophobicContact CE2-CD2 3.61Å; F23-L55 HydrophobicContact CE2-CG 4.37Å; F23-L55 HydrophobicContact CG-CD1 4.43Å; F23-L55 HydrophobicContact CG-CD2 3.92Å; F23-L55 HydrophobicContact CZ-CD2 3.89Å; I30-L55 HydrophobicContact CD1-CD1 3.31Å; I30-L55 HydrophobicContact CG1-CD1 3.98Å; A31-L55 HydrophobicContact CB-CB 3.83Å; A31-L55 HydrophobicContact CB-CD1 4.39Å; T51-L55 PolarHBondContact O-N 2.99Å; I52-L55 WeakPolarHBondContact O-CB 3.31Å; I52-L55 PolarHBondContact O-N 2.8Å; I52-L55 VanDerWaalsContact O-N 3.08Å; L55-Q57 VanDerWaalsContact C-N 3.27Å; L55-Q57 PolarHBondContact O-N 2.77Å; L55-W58 WeakPolarHBondContact O-CB 3.25Å; L55-W58 PolarHBondContact O-N 2.91Å; L55-W58 VanDerWaalsContact O-N 3.14Å; L55-C59 PolarHBondContact O-N 2.58Å; L55-C59 PolarHBondContact O-SG 2.88Å; L55-L66 HydrophobicContact CD2-CD1 3.8Å; L55-L66 HydrophobicContact CG-CD1 3.89Å; L55-I69 HydrophobicContact CD1-CG2 4.1Å; L55-L70 HydrophobicContact CD2-CD2 3.61Å; L55-L70 HydrophobicContact CD2-CG 4.46Å
56E98.3Very high98.4Very high69 Ų6960.9 Ų60.932%0.32227%0.274SS..Hα-helixtrans-58-42.2176.3-67177.7178.900111.7I52 C59 R60 L66I52-E56 WeakPolarHBondContact O-CG 3.36Å; I52-E56 PolarHBondContact O-N 3.3Å; E56-C59 PolarHBondContact O-N 3.45Å; E56-R60 WeakPolarHBondContact O-CG 3.34Å; E56-R60 PolarHBondContact O-N 3.03Å; E56-R60 IonicContact OE2-NH1 2.78Å; E56-L66 HydrophobicContact CG-CD2 3.91Å
57Q98.5Very high98.3Very high82 Ų8261.5 Ų61.538%0.38328%0.28SS..Hα-helixtrans-65.3-42175.9-172.660.842.100112R53 R54 L55 C59 R60 N61R53-Q57 PolarHBondContact O-N 3.4Å; R53-Q57 VanDerWaalsContact O-N 3.07Å; R54-Q57 PolarHBondContact O-N 3.18Å; L55-Q57 VanDerWaalsContact C-N 3.27Å; L55-Q57 PolarHBondContact O-N 2.77Å; Q57-C59 VanDerWaalsContact C-N 3.34Å; Q57-R60 PolarHBondContact O-N 3.4Å; Q57-N61 PolarHBondContact NE2-OD1 3.47Å; Q57-N61 WeakPolarHBondContact O-CB 3.27Å; Q57-N61 PolarHBondContact O-N 2.63Å; Q57-N61 PolarHBondContact O-OD1 3.21Å
58W98.5Very high98.3Very high59 Ų5967.2 Ų67.222%0.22330%0.304CS..Hα-helixtrans-60.3-44.8175.8-179.195.9000111.1I30 R54 L55 R60 N61 N62 K64 I69I30-W58 HydrophobicContact CB-CD2 3.93Å; I30-W58 HydrophobicContact CB-CE3 4.32Å; I30-W58 HydrophobicContact CB-CG 4.35Å; I30-W58 HydrophobicContact CB-CH2 4.38Å; I30-W58 HydrophobicContact CB-CZ2 3.98Å; I30-W58 HydrophobicContact CD1-CD2 4.44Å; I30-W58 HydrophobicContact CD1-CE3 3.98Å; I30-W58 HydrophobicContact CD1-CH2 4.3Å; I30-W58 HydrophobicContact CD1-CZ3 3.91Å; I30-W58 HydrophobicContact CG2-CD2 4.46Å; I30-W58 HydrophobicContact CG2-CH2 3.99Å; I30-W58 HydrophobicContact CG2-CZ2 3.57Å; R54-W58 WeakPolarHBondContact O-CB 3.38Å; R54-W58 PolarHBondContact O-N 2.86Å; L55-W58 WeakPolarHBondContact O-CB 3.25Å; L55-W58 PolarHBondContact O-N 2.91Å; L55-W58 VanDerWaalsContact O-N 3.14Å; W58-R60 PolarHBondContact O-N 3.44Å; W58-N61 PolarHBondContact O-N 2.94Å; W58-N62 HydrophobicContact CZ2-CB 4.47Å; W58-N62 PolarHBondContact NE1-ND2 2.83Å; W58-N62 WeakPolarHBondContact O-CB 3.28Å; W58-N62 PolarHBondContact O-N 2.88Å; W58-N62 PolarHBondContact O-ND2 3.39Å; W58-K64 HydrophobicContact CH2-CG 4.13Å; W58-K64 HydrophobicContact CZ3-CB 4.23Å; W58-K64 HydrophobicContact CZ3-CG 3.91Å; W58-I69 HydrophobicContact CH2-CD1 4.4Å; W58-I69 HydrophobicContact CZ3-CD1 4.02Å; W58-I69 HydrophobicContact CZ3-CG1 4.14Å; W58-I69 HydrophobicContact CZ3-CG2 4.33Å
59C98.4Very high98.2Very high4 Ų467 Ų673%0.02730%0.303CS..Hα-helixtrans-59.5-46.5176.6-73.10000111.7L55 E56 Q57 N61 N62 Q63 K64L55-C59 PolarHBondContact O-N 2.58Å; L55-C59 PolarHBondContact O-SG 2.88Å; E56-C59 PolarHBondContact O-N 3.45Å; Q57-C59 VanDerWaalsContact C-N 3.34Å; C59-N61 PolarHBondContact O-N 2.91Å; C59-N62 CarbonylContact O-C 3.52Å; C59-N62 PolarHBondContact O-N 2.64Å; C59-Q63 PolarHBondContact O-N 3.32Å; C59-K64 HydrophobicContact CB-CB 4.37Å; C59-K64 WeakPolarHBondContact CB-O 3.44Å; C59-K64 PolarHBondContact O-N 3.05Å
60R98.2Very high98.2Very high140 Ų14065.5 Ų65.553%0.52830%0.296SS..Hα-helixtrans-59-46.9175.4-73.6-172.4-67.6-91.42.8112.1E56 Q57 W58 N62 Q63E56-R60 WeakPolarHBondContact O-CG 3.34Å; E56-R60 PolarHBondContact O-N 3.03Å; E56-R60 IonicContact OE2-NH1 2.78Å; Q57-R60 PolarHBondContact O-N 3.4Å; W58-R60 PolarHBondContact O-N 3.44Å; R60-N62 VanDerWaalsContact C-N 3.28Å; R60-N62 PolarHBondContact O-N 3.07Å; R60-Q63 PolarHBondContact O-N 3.31Å
61N98.3Very high98.1Very high109 Ų10969.2 Ų69.258%0.58332%0.318SS*.Hα-helixtrans-65.6-31.5-178.4-71.1-7.1000112.7Q57 W58 C59Q57-N61 PolarHBondContact NE2-OD1 3.47Å; Q57-N61 WeakPolarHBondContact O-CB 3.27Å; Q57-N61 PolarHBondContact O-N 2.63Å; Q57-N61 PolarHBondContact O-OD1 3.21Å; W58-N61 PolarHBondContact O-N 2.94Å; C59-N61 PolarHBondContact O-N 2.91Å
62N97.9Very high98Very high80 Ų8073.6 Ų73.643%0.42834%0.339SS..THydrogen-bonded Turntrans-101.88.7-177.1-67.5-84000113.4W58 C59 R60 K64W58-N62 HydrophobicContact CZ2-CB 4.47Å; W58-N62 PolarHBondContact NE1-ND2 2.83Å; W58-N62 WeakPolarHBondContact O-CB 3.28Å; W58-N62 PolarHBondContact O-N 2.88Å; W58-N62 PolarHBondContact O-ND2 3.39Å; C59-N62 CarbonylContact O-C 3.52Å; C59-N62 PolarHBondContact O-N 2.64Å; R60-N62 VanDerWaalsContact C-N 3.28Å; R60-N62 PolarHBondContact O-N 3.07Å; N62-K64 HydrophobicContact CB-CG 4.04Å; N62-K64 PolarHBondContact O-N 3.22Å
63Q97.7Very high98Very high185 Ų18573 Ų7386%0.86434%0.336SS*.THydrogen-bonded Turntrans52.140.7-177.8-56.7172.218.700112.4C59 R60C59-Q63 PolarHBondContact O-N 3.32Å; R60-Q63 PolarHBondContact O-N 3.31Å
64K97.7Very high98Very high102 Ų10269.9 Ų69.944%0.44333%0.326SS..  trans-102.6146.8175.9-62.9-65.2-1711690110W58 C59 N62 I69W58-K64 HydrophobicContact CH2-CG 4.13Å; W58-K64 HydrophobicContact CZ3-CB 4.23Å; W58-K64 HydrophobicContact CZ3-CG 3.91Å; C59-K64 HydrophobicContact CB-CB 4.37Å; C59-K64 WeakPolarHBondContact CB-O 3.44Å; C59-K64 PolarHBondContact O-N 3.05Å; N62-K64 HydrophobicContact CB-CG 4.04Å; N62-K64 PolarHBondContact O-N 3.22Å; K64-I69 HydrophobicContact CB-CD1 4.03Å; K64-I69 HydrophobicContact CB-CG1 3.74Å; K64-I69 HydrophobicContact CD-CD1 4.17Å; K64-I69 HydrophobicContact CG-CD1 4.09Å; K64-I69 HydrophobicContact CG-CG1 4.35Å
65E97.9Very high98Very high112 Ų11265 Ų6552%0.52331%0.308SS..  trans-87.4129.4174.4-52.2-133.5100.500109.5D67 K68 I69E65-D67 VanDerWaalsContact C-N 3.34Å; E65-D67 VanDerWaalsContact CB-OD1 3.24Å; E65-D67 WeakPolarHBondContact CB-OD1 3.47Å; E65-D67 PolarHBondContact O-N 3.21Å; E65-K68 HydrophobicContact CB-CB 4.42Å; E65-K68 HydrophobicContact CB-CD 4.06Å; E65-K68 HydrophobicContact CB-CG 4.22Å; E65-K68 HydrophobicContact CG-CD 4.36Å; E65-K68 PolarHBondContact O-N 3.24Å; E65-K68 IonicContact OE2-NZ 3.88Å; E65-K68 PolarHBondContact OE2-NZ 3.16Å; E65-I69 WeakPolarHBondContact O-CG1 3.48Å; E65-I69 PolarHBondContact O-N 3.21Å; E65-I69 VanDerWaalsContact O-N 3.13Å
66L97.9Very high98Very high36 Ų3667.1 Ų67.119%0.18832%0.317CS..Hα-helixtrans-61.6-42.4-170.8178.361.5000112.1L55 E56 K68 I69 L70 P94L55-L66 HydrophobicContact CD2-CD1 3.8Å; L55-L66 HydrophobicContact CG-CD1 3.89Å; E56-L66 HydrophobicContact CG-CD2 3.91Å; L66-K68 PolarHBondContact O-N 3.34Å; L66-I69 PolarHBondContact O-N 2.89Å; L66-L70 HydrophobicContact CD1-CD1 4.03Å; L66-L70 HydrophobicContact CD1-CD2 4.31Å; L66-L70 HydrophobicContact CD1-CG 3.93Å; L66-L70 HydrophobicContact CD2-CD1 4.42Å; L66-L70 HydrophobicContact CG-CD1 3.74Å; L66-L70 HydrophobicContact CG-CG 4.13Å; L66-L70 WeakPolarHBondContact O-CB 3.23Å; L66-L70 WeakPolarHBondContact O-CG 3.49Å; L66-L70 PolarHBondContact O-N 3.4Å; L66-P94 HydrophobicContact CB-CG 4.31Å; L66-P94 HydrophobicContact CD2-CG 3.82Å; L66-P94 HydrophobicContact CG-CG 3.91Å
67D97.5Very high98Very high65 Ų6563.8 Ų63.835%0.34830%0.301SS..Hα-helixtrans-58-44.717763.7-36.5000112.2E65 I69 L70 V71 P94 A95E65-D67 VanDerWaalsContact C-N 3.34Å; E65-D67 VanDerWaalsContact CB-OD1 3.24Å; E65-D67 WeakPolarHBondContact CB-OD1 3.47Å; E65-D67 PolarHBondContact O-N 3.21Å; D67-I69 VanDerWaalsContact C-N 3.33Å; D67-I69 PolarHBondContact O-N 3.3Å; D67-L70 PolarHBondContact O-N 3.19Å; D67-V71 PolarHBondContact O-N 2.86Å; D67-P94 HydrophobicContact CB-CB 4.35Å; D67-P94 HydrophobicContact CB-CG 4.35Å; D67-A95 HydrophobicContact CB-CB 4Å
68K97.6Very high98Very high119 Ų11959.9 Ų59.952%0.51728%0.283SS..Hα-helixtrans-66.6-34.1178.2-65178.6-175.4145.20112.7E65 L66 V71E65-K68 HydrophobicContact CB-CB 4.42Å; E65-K68 HydrophobicContact CB-CD 4.06Å; E65-K68 HydrophobicContact CB-CG 4.22Å; E65-K68 HydrophobicContact CG-CD 4.36Å; E65-K68 PolarHBondContact O-N 3.24Å; E65-K68 IonicContact OE2-NZ 3.88Å; E65-K68 PolarHBondContact OE2-NZ 3.16Å; L66-K68 PolarHBondContact O-N 3.34Å; K68-V71 VanDerWaalsContact O-CG2 3.27Å; K68-V71 WeakPolarHBondContact O-CG2 3Å
69I97.9Very high98Very high4 Ų457.5 Ų57.52%0.02128%0.275CS..Hα-helixtrans-74.4-44.5177.2-65.8-61.4000110.7Y25 I30 L55 W58 K64 E65 L66 D67 V71 E72 C73Y25-I69 HydrophobicContact CD2-CD1 4.32Å; Y25-I69 HydrophobicContact CD2-CG2 4.32Å; Y25-I69 HydrophobicContact CE1-CD1 4.16Å; Y25-I69 HydrophobicContact CE2-CD1 3.87Å; I30-I69 HydrophobicContact CD1-CG2 3.6Å; L55-I69 HydrophobicContact CD1-CG2 4.1Å; W58-I69 HydrophobicContact CH2-CD1 4.4Å; W58-I69 HydrophobicContact CZ3-CD1 4.02Å; W58-I69 HydrophobicContact CZ3-CG1 4.14Å; W58-I69 HydrophobicContact CZ3-CG2 4.33Å; K64-I69 HydrophobicContact CB-CD1 4.03Å; K64-I69 HydrophobicContact CB-CG1 3.74Å; K64-I69 HydrophobicContact CD-CD1 4.17Å; K64-I69 HydrophobicContact CG-CD1 4.09Å; K64-I69 HydrophobicContact CG-CG1 4.35Å; E65-I69 WeakPolarHBondContact O-CG1 3.48Å; E65-I69 PolarHBondContact O-N 3.21Å; E65-I69 VanDerWaalsContact O-N 3.13Å; L66-I69 PolarHBondContact O-N 2.89Å; D67-I69 VanDerWaalsContact C-N 3.33Å; D67-I69 PolarHBondContact O-N 3.3Å; I69-V71 VanDerWaalsContact C-N 3.33Å; I69-V71 PolarHBondContact O-N 3Å; I69-E72 PolarHBondContact O-N 3.27Å; I69-C73 WeakPolarHBondContact CG2-SG 3.33Å; I69-C73 WeakPolarHBondContact O-CB 3.4Å; I69-C73 PolarHBondContact O-N 3.33Å; I69-C73 VanDerWaalsContact O-N 3.16Å; I69-C73 PolarHBondContact O-SG 3.06Å
70L97.6Very high98.1Very high0 Ų057.4 Ų57.40%027%0.274CS..Hα-helixtrans-57.4-42.8-176.8-74.5169.7000112.6L55 L66 D67 E72 C73 L93 P94 A95 L97L55-L70 HydrophobicContact CD2-CD2 3.61Å; L55-L70 HydrophobicContact CD2-CG 4.46Å; L66-L70 HydrophobicContact CD1-CD1 4.03Å; L66-L70 HydrophobicContact CD1-CD2 4.31Å; L66-L70 HydrophobicContact CD1-CG 3.93Å; L66-L70 HydrophobicContact CD2-CD1 4.42Å; L66-L70 HydrophobicContact CG-CD1 3.74Å; L66-L70 HydrophobicContact CG-CG 4.13Å; L66-L70 WeakPolarHBondContact O-CB 3.23Å; L66-L70 WeakPolarHBondContact O-CG 3.49Å; L66-L70 PolarHBondContact O-N 3.4Å; D67-L70 PolarHBondContact O-N 3.19Å; L70-E72 PolarHBondContact O-N 3.41Å; L70-E72 VanDerWaalsContact O-N 3.12Å; L70-C73 PolarHBondContact O-N 2.98Å; L70-L93 HydrophobicContact CD1-CB 3.95Å; L70-L93 HydrophobicContact CD1-CD1 4.41Å; L70-L93 HydrophobicContact CD1-CD2 4.5Å; L70-L93 HydrophobicContact CD2-CD1 3.96Å; L70-P94 HydrophobicContact CD1-CG 3.85Å; L70-A95 HydrophobicContact CB-CB 4.16Å; L70-A95 HydrophobicContact CD1-CB 4.39Å; L70-L97 HydrophobicContact CB-CD2 4.23Å; L70-L97 HydrophobicContact CD2-CD2 3.31Å; L70-L97 HydrophobicContact CD2-CG 4.23Å; L70-L97 HydrophobicContact CG-CD2 4.36Å; L70-L97 WeakPolarHBondContact O-CA 3.43Å
71V97.3Very high98.1Very high81 Ų8150.8 Ų50.849%0.49125%0.249SC..THydrogen-bonded Turntrans-63.3-19.9-177.7-640000114.4D67 K68 I69 A95 H96D67-V71 PolarHBondContact O-N 2.86Å; K68-V71 VanDerWaalsContact O-CG2 3.27Å; K68-V71 WeakPolarHBondContact O-CG2 3Å; I69-V71 VanDerWaalsContact C-N 3.33Å; I69-V71 PolarHBondContact O-N 3Å; V71-A95 HydrophobicContact CG1-CB 3.88Å; V71-H96 WeakPolarHBondContact CA-O 3.45Å
72E97.3Very high98.1Very high92 Ų9246.2 Ų46.243%0.4323%0.226SC..THydrogen-bonded Turntrans-105.8-5.2177-56.9-167.2135.600112.5Y25 I69 L70Y25-E72 HydrophobicContact CD2-CB 3.91Å; Y25-E72 HydrophobicContact CE2-CB 3.61Å; Y25-E72 HydrophobicContact CE2-CG 4.26Å; Y25-E72 WeakPolarHBondContact CE2-OE2 3.34Å; Y25-E72 VanDerWaalsContact CZ-OE2 3.32Å; Y25-E72 PolarHBondContact OH-OE2 3.13Å; I69-E72 PolarHBondContact O-N 3.27Å; L70-E72 PolarHBondContact O-N 3.41Å; L70-E72 VanDerWaalsContact O-N 3.12Å
73C97.5Very high98.1Very high0 Ų045.5 Ų45.50%022%0.221CC..PPolyproline II helixtrans-88.3136.4-175.1-85.40000113.2F23 V24 I69 L70 L97 K98F23-C73 HydrophobicContact CD1-CB 4.18Å; V24-C73 WeakPolarHBondContact O-CA 3.47Å; I69-C73 WeakPolarHBondContact CG2-SG 3.33Å; I69-C73 WeakPolarHBondContact O-CB 3.4Å; I69-C73 PolarHBondContact O-N 3.33Å; I69-C73 VanDerWaalsContact O-N 3.16Å; I69-C73 PolarHBondContact O-SG 3.06Å; L70-C73 PolarHBondContact O-N 2.98Å; C73-L97 HydrophobicContact CB-CD2 3.95Å; C73-K98 WeakPolarHBondContact O-CB 3.13Å; C73-K98 PolarHBondContact O-N 3.29Å
74D98.2Very high98.2Very high25 Ų2539.7 Ų39.713%0.13420%0.195CC..EExtended strand (participates in β ladder)trans-100.2134166.3-67-62000109.2F23 V24 F76 K98 S99F23-D74 WeakPolarHBondContact CA-O 3.34Å; V24-D74 PolarHBondContact N-O 2.77Å; V24-D74 PolarHBondContact O-N 2.9Å; D74-F76 HydrophobicContact CB-CE2 3.75Å; D74-F76 HydrophobicContact CB-CZ 4.3Å; D74-K98 IonicContact OD1-NZ 3.92Å; D74-K98 IonicContact OD2-NZ 3.93Å; D74-K98 PolarHBondContact OD2-NZ 2.78Å; D74-S99 WeakPolarHBondContact OD1-CB 3.42Å; D74-S99 PolarHBondContact OD1-N 3.17Å; D74-S99 PolarHBondContact OD1-OG 3.01Å
75L98.7Very high98.2Very high1 Ų134.8 Ų34.81%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-101.6128.7174.2-17865.5000109.8C21 F23 I89 L97 S99 I100 T101C21-L75 WeakPolarHBondContact SG-CD1 3.5Å; F23-L75 HydrophobicContact CD1-CB 4.14Å; F23-L75 HydrophobicContact CD1-CD1 3.78Å; F23-L75 HydrophobicContact CD2-CD1 4.16Å; F23-L75 HydrophobicContact CE1-CB 3.84Å; F23-L75 HydrophobicContact CE1-CD1 3.55Å; F23-L75 HydrophobicContact CE1-CD2 4.39Å; F23-L75 HydrophobicContact CE1-CG 4.12Å; F23-L75 HydrophobicContact CE2-CD1 3.96Å; F23-L75 HydrophobicContact CG-CD1 4.07Å; F23-L75 HydrophobicContact CZ-CD1 3.67Å; F23-L75 HydrophobicContact CZ-CD2 4.42Å; F23-L75 HydrophobicContact CZ-CG 4.45Å; L75-I89 HydrophobicContact CD2-CD1 3.58Å; L75-I89 HydrophobicContact CD2-CG1 4.36Å; L75-L97 HydrophobicContact CB-CD1 3.98Å; L75-L97 HydrophobicContact CD2-CD1 4.16Å; L75-S99 PolarHBondContact N-O 3.22Å; L75-I100 HydrophobicContact CB-CG1 4.24Å; L75-I100 HydrophobicContact CB-CG2 4.46Å; L75-I100 HydrophobicContact CD2-CD1 4.49Å; L75-I100 HydrophobicContact CD2-CG1 4.27Å; L75-I100 HydrophobicContact CD2-CG2 4.16Å; L75-I100 HydrophobicContact CG-CG2 4.48Å; L75-I100 CarbonylContact O-C 3.59Å; L75-I100 WeakPolarHBondContact O-CA 3.29Å; L75-T101 PolarHBondContact O-N 2.83Å
76F98.8Very high98.3Very high44 Ų4429.5 Ų29.519%0.19315%0.149CC..EExtended strand (participates in β ladder)trans-112.2135.2173-65-93.9000109.6M1 C21 A22 V24 D74 T101M1-F76 HydrophobicContact CB-CD1 4.37Å; M1-F76 HydrophobicContact CE-CB 4.43Å; M1-F76 HydrophobicContact CE-CD1 4.2Å; M1-F76 HydrophobicContact SD-CB 4.3Å; C21-F76 CarbonylContact C-O 3.53Å; C21-F76 WeakPolarHBondContact CA-O 3.15Å; C21-F76 PolarHBondContact SG-O 2.8Å; A22-F76 PolarHBondContact N-O 3.44Å; A22-F76 PolarHBondContact O-N 3.25Å; V24-F76 HydrophobicContact CB-CD2 4.34Å; V24-F76 HydrophobicContact CB-CE2 3.98Å; V24-F76 HydrophobicContact CG2-CD2 3.69Å; V24-F76 HydrophobicContact CG2-CE2 3.68Å; D74-F76 HydrophobicContact CB-CE2 3.75Å; D74-F76 HydrophobicContact CB-CZ 4.3Å; F76-T101 CarbonylContact C-O 3.59Å; F76-T101 WeakPolarHBondContact CA-O 3.45Å; F76-T101 HydrophobicContact CD1-CG2 4Å; F76-T101 HydrophobicContact CE1-CG2 4.06Å
77V98.9Very high98.3Very high0 Ų029.2 Ų29.20%015%0.152CC..EExtended strand (participates in β ladder)trans-145.3138.8176.761.90000110.8V19 G20 C21 E48 V79 P81 T101 Y102 G103V19-V77 HydrophobicContact CG1-CG2 3.78Å; G20-V77 WeakPolarHBondContact O-CA 3.26Å; C21-V77 HydrophobicContact CB-CB 4.3Å; C21-V77 HydrophobicContact CB-CG2 4.13Å; E48-V77 HydrophobicContact CG-CG2 4Å; V77-V79 VanDerWaalsContact C-N 3.29Å; V77-V79 WeakPolarHBondContact CG1-O 3.34Å; V77-V79 WeakPolarHBondContact CG2-O 3.38Å; V77-V79 PolarHBondContact O-N 3.33Å; V77-P81 HydrophobicContact CG1-CG 4.05Å; V77-T101 PolarHBondContact N-O 3.48Å; V77-Y102 WeakPolarHBondContact O-CA 3.43Å; V77-Y102 WeakPolarHBondContact O-CB 3.45Å; V77-G103 PolarHBondContact O-N 3.44Å
78T98.8Very high98.3Very high0 Ų026.7 Ų26.70%014%0.14CC..EExtended strand (participates in β ladder)trans-69.3-27.1-173.855.70000113.4A4 F5 A8 V19 G20 G103 A104 A139A4-T78 HydrophobicContact CB-CG2 3.97Å; A4-T78 WeakPolarHBondContact O-CG2 3.45Å; F5-T78 HydrophobicContact CD1-CG2 4.02Å; F5-T78 HydrophobicContact CD2-CG2 4Å; F5-T78 HydrophobicContact CE1-CG2 4.13Å; F5-T78 HydrophobicContact CE2-CG2 4.09Å; F5-T78 HydrophobicContact CG-CG2 3.95Å; F5-T78 HydrophobicContact CZ-CG2 4.17Å; A8-T78 HydrophobicContact CB-CG2 3.92Å; V19-T78 WeakPolarHBondContact CA-OG1 3.32Å; G20-T78 PolarHBondContact N-OG1 2.82Å; G20-T78 PolarHBondContact O-N 3.17Å; T78-G103 CarbonylContact O-C 3.53Å; T78-G103 VanDerWaalsContact O-CA 3.31Å; T78-G103 WeakPolarHBondContact O-CA 3.35Å; T78-G103 PolarHBondContact O-N 3.04Å; T78-A104 PolarHBondContact O-N 3.4Å; T78-A139 WeakPolarHBondContact O-CB 3.45Å
79V98.6Very high98.4Very high9 Ų921.2 Ų21.26%0.05512%0.116CC..EExtended strand (participates in β ladder)trans-127.7143.5-179-178.40000109.3V19 V77 A104 N106 L143V19-V79 HydrophobicContact CG1-CB 4.37Å; V19-V79 HydrophobicContact CG2-CB 4.23Å; V19-V79 HydrophobicContact CG2-CG2 4Å; V77-V79 VanDerWaalsContact C-N 3.29Å; V77-V79 WeakPolarHBondContact CG1-O 3.34Å; V77-V79 WeakPolarHBondContact CG2-O 3.38Å; V77-V79 PolarHBondContact O-N 3.33Å; V79-A104 CarbonylContact C-O 3.5Å; V79-A104 HydrophobicContact CG2-CB 4.49Å; V79-N106 HydrophobicContact CG1-CB 4.01Å; V79-L143 HydrophobicContact CG1-CD1 4.45Å; V79-L143 HydrophobicContact CG2-CD1 3.82Å; V79-L143 HydrophobicContact CG2-CD2 4.35Å; V79-L143 HydrophobicContact CG2-CG 4.23Å
80E98.8Very high98.4Very high2 Ų221.4 Ų21.41%0.00912%0.117CC..PPolyproline II helixtrans-47.7128.8176-176.4-167162.700111.3C82 Y102 A104 N106 G110 C112 G113 S114E80-C82 PolarHBondContact O-N 2.83Å; E80-Y102 HydrophobicContact CB-CD2 3.67Å; E80-Y102 HydrophobicContact CB-CE2 3.67Å; E80-Y102 HydrophobicContact CB-CG 4.24Å; E80-Y102 HydrophobicContact CG-CD2 4.19Å; E80-Y102 HydrophobicContact CG-CE1 4.3Å; E80-Y102 HydrophobicContact CG-CE2 3.8Å; E80-A104 WeakPolarHBondContact CB-O 3.36Å; E80-A104 PolarHBondContact N-O 3.09Å; E80-N106 HydrophobicContact CB-CB 3.73Å; E80-N106 HydrophobicContact CG-CB 4.37Å; E80-N106 WeakPolarHBondContact O-CB 3.34Å; E80-N106 PolarHBondContact O-ND2 3.31Å; E80-N106 PolarHBondContact OE2-N 3.36Å; E80-G110 WeakPolarHBondContact OE1-CA 3.24Å; E80-C112 HydrophobicContact CG-CB 3.68Å; E80-C112 VanDerWaalsContact OE1-CA 3.31Å; E80-C112 WeakPolarHBondContact OE1-CA 3.18Å; E80-C112 PolarHBondContact OE1-N 2.91Å; E80-G113 PolarHBondContact OE1-N 2.82Å; E80-S114 PolarHBondContact OE1-N 3.26Å; E80-S114 VanDerWaalsContact OE1-N 3.09Å; E80-S114 WeakPolarHBondContact OE2-CB 3.5Å; E80-S114 PolarHBondContact OE2-OG 3.25Å
81P98.8Very high98.4Very high0 Ų025.3 Ų25.30%013%0.134CC..PPolyproline II helixtrans-53.3135.7179.7-28.434.2000112.7E48 V77 C85 A86 I100 G111E48-P81 WeakPolarHBondContact OE1-CA 3.28Å; E48-P81 WeakPolarHBondContact OE1-CB 3.43Å; V77-P81 HydrophobicContact CG1-CG 4.05Å; P81-C85 HydrophobicContact CB-CB 4.08Å; P81-A86 HydrophobicContact CB-CB 4.27Å; P81-I100 HydrophobicContact CG-CG2 4.39Å; P81-G111 PolarHBondContact O-N 2.83Å
82C98.8Very high98.4Very high13 Ų1326.4 Ų26.49%0.08814%0.144CC..BIsolated β-bridgetrans-68.2168.1173.477.20000110.8H46 E80 M84 C85 A86 F109H46-C82 VanDerWaalsContact CE1-SG 3.58Å; H46-C82 PolarHBondContact ND1-SG 2.93Å; H46-C82 VanDerWaalsContact ND1-SG 3.38Å; E80-C82 PolarHBondContact O-N 2.83Å; C82-M84 VanDerWaalsContact C-N 3.25Å; C82-M84 PolarHBondContact O-N 3.4Å; C82-C85 PolarHBondContact O-N 2.91Å; C82-C85 VanDerWaalsContact O-N 3.07Å; C82-C85 PolarHBondContact SG-N 3.06Å; C82-A86 WeakPolarHBondContact O-CB 3.4Å; C82-A86 PolarHBondContact O-N 3.1Å; C82-F109 CarbonylContact C-O 2.95Å; C82-F109 WeakPolarHBondContact CA-O 3.42Å; C82-F109 HydrophobicContact CB-CB 4.03Å
83I98.7Very high98.4Very high65 Ų6523 Ų2333%0.33313%0.129SC..Hα-helixtrans-49.2-44.9177.1-69.1157.9000112.4A87 F109 V115 L116 V118I83-A87 WeakPolarHBondContact O-CB 3.22Å; I83-A87 PolarHBondContact O-N 3.41Å; I83-F109 WeakPolarHBondContact CG1-O 3.49Å; I83-F109 PolarHBondContact N-O 2.93Å; I83-V115 HydrophobicContact CD1-CG1 4.49Å; I83-L116 HydrophobicContact CD1-CB 4.42Å; I83-L116 HydrophobicContact CD1-CD1 3.66Å; I83-L116 HydrophobicContact CD1-CG 3.98Å; I83-L116 HydrophobicContact CG1-CB 4.19Å; I83-L116 HydrophobicContact CG1-CD1 3.96Å; I83-L116 HydrophobicContact CG1-CG 4.27Å; I83-L116 HydrophobicContact CG2-CD1 4.37Å; I83-V118 HydrophobicContact CB-CG2 4.5Å; I83-V118 HydrophobicContact CG1-CG2 4.37Å; I83-V118 HydrophobicContact CG2-CG2 4.1Å
84M98.7Very high98.3Very high63 Ų6327.1 Ų27.131%0.3116%0.155SC..Hα-helixtrans-61.9-50.3177.7175.5-17271.500111.6T44 H46 M49 C82 A87 A88T44-M84 HydrophobicContact CG2-SD 4.25Å; H46-M84 HydrophobicContact CB-CE 4.19Å; M49-M84 HydrophobicContact CG-CE 3.88Å; C82-M84 VanDerWaalsContact C-N 3.25Å; C82-M84 PolarHBondContact O-N 3.4Å; M84-A87 PolarHBondContact O-N 2.81Å; M84-A88 WeakPolarHBondContact O-CB 3.25Å; M84-A88 PolarHBondContact O-N 3.26Å
85C98.8Very high98.3Very high0 Ų026.7 Ų26.70%016%0.155CC..Hα-helixtrans-68.7-42.8-176.1-63.20000111.1E48 P81 C82 A87 A88 I89E48-C85 HydrophobicContact CB-CB 3.99Å; E48-C85 HydrophobicContact CG-CB 4.13Å; E48-C85 VanDerWaalsContact OE1-CB 3.24Å; E48-C85 WeakPolarHBondContact OE1-CB 3.27Å; P81-C85 HydrophobicContact CB-CB 4.08Å; C82-C85 PolarHBondContact O-N 2.91Å; C82-C85 VanDerWaalsContact O-N 3.07Å; C82-C85 PolarHBondContact SG-N 3.06Å; C85-A87 VanDerWaalsContact C-N 3.32Å; C85-A87 PolarHBondContact O-N 2.89Å; C85-A88 PolarHBondContact O-N 2.87Å; C85-I89 WeakPolarHBondContact O-CB 3.48Å; C85-I89 WeakPolarHBondContact O-CD1 3.37Å; C85-I89 WeakPolarHBondContact O-CG1 3.48Å; C85-I89 PolarHBondContact O-N 2.95Å
86A98.6Very high98.1Very high1 Ų129.7 Ų29.71%0.00817%0.169CC..Hα-helixtrans-59.3-42.1173.800000111.7P81 C82 R90 V118P81-A86 HydrophobicContact CB-CB 4.27Å; C82-A86 WeakPolarHBondContact O-CB 3.4Å; C82-A86 PolarHBondContact O-N 3.1Å; A86-R90 VanDerWaalsContact O-CB 3.25Å; A86-R90 WeakPolarHBondContact O-CB 3.34Å; A86-R90 PolarHBondContact O-N 3.01Å; A86-V118 HydrophobicContact CB-CB 4.05Å; A86-V118 HydrophobicContact CB-CG1 4.18Å
87A98.4Very high98Very high30 Ų3028.2 Ų28.225%0.24816%0.163CC..Hα-helixtrans-66.4-43.7175.800000112I83 M84 C85 R90 F91 V118I83-A87 WeakPolarHBondContact O-CB 3.22Å; I83-A87 PolarHBondContact O-N 3.41Å; M84-A87 PolarHBondContact O-N 2.81Å; C85-A87 VanDerWaalsContact C-N 3.32Å; C85-A87 PolarHBondContact O-N 2.89Å; A87-R90 PolarHBondContact O-N 3.12Å; A87-F91 HydrophobicContact CB-CD2 4.11Å; A87-F91 WeakPolarHBondContact O-CB 3.4Å; A87-F91 WeakPolarHBondContact O-CD2 3.46Å; A87-F91 PolarHBondContact O-N 3.48Å; A87-V118 HydrophobicContact CB-CG1 3.93Å
88A98.5Very high97.9Very high12 Ų1233.8 Ų33.810%0.09919%0.188CC..Iπ-helixtrans-61-47.6177.900000111.4M49 M84 C85 R90 C92 L93M49-A88 HydrophobicContact CE-CB 4.11Å; M49-A88 HydrophobicContact SD-CB 3.56Å; M49-A88 VanDerWaalsContact SD-CB 3.56Å; M84-A88 WeakPolarHBondContact O-CB 3.25Å; M84-A88 PolarHBondContact O-N 3.26Å; C85-A88 PolarHBondContact O-N 2.87Å; A88-R90 PolarHBondContact O-N 2.97Å; A88-C92 WeakPolarHBondContact O-CA 3.46Å; A88-C92 VanDerWaalsContact O-CB 3.25Å; A88-C92 WeakPolarHBondContact O-CB 3.25Å; A88-C92 PolarHBondContact O-N 3.42Å; A88-L93 PolarHBondContact O-N 3.36Å
89I98.3Very high97.8Very high4 Ų434.2 Ų34.22%0.02119%0.19CC..Iπ-helixtrans-63.2-43.1178.4-65160.5000110.9E48 I52 L75 C85 L93 L97 I100 L128E48-I89 HydrophobicContact CB-CD1 4.35Å; I52-I89 HydrophobicContact CD1-CG1 3.85Å; L75-I89 HydrophobicContact CD2-CD1 3.58Å; L75-I89 HydrophobicContact CD2-CG1 4.36Å; C85-I89 WeakPolarHBondContact O-CB 3.48Å; C85-I89 WeakPolarHBondContact O-CD1 3.37Å; C85-I89 WeakPolarHBondContact O-CG1 3.48Å; C85-I89 PolarHBondContact O-N 2.95Å; I89-L93 HydrophobicContact CB-CD1 4.47Å; I89-L93 HydrophobicContact CG2-CD1 4.16Å; I89-L97 HydrophobicContact CG2-CD1 3.53Å; I89-I100 HydrophobicContact CD1-CD1 4.3Å; I89-I100 HydrophobicContact CG2-CD1 3.66Å; I89-L128 HydrophobicContact CB-CD1 4.41Å; I89-L128 HydrophobicContact CG2-CD1 4.09Å; I89-L128 HydrophobicContact CG2-CD2 3.95Å
90R98Very high97.8Very high7 Ų733.8 Ų33.83%0.02619%0.188CC..Iπ-helixtrans-74.5-46.7-176.7-170.1172.3178.4-156.9-4.1113.3A86 A87 A88 V118 S121 V125 A126 L128A86-R90 VanDerWaalsContact O-CB 3.25Å; A86-R90 WeakPolarHBondContact O-CB 3.34Å; A86-R90 PolarHBondContact O-N 3.01Å; A87-R90 PolarHBondContact O-N 3.12Å; A88-R90 PolarHBondContact O-N 2.97Å; R90-V118 WeakPolarHBondContact CD-O 3.34Å; R90-V118 PolarHBondContact NH1-O 2.9Å; R90-S121 VanDerWaalsContact CZ-O 3.28Å; R90-S121 PolarHBondContact NH1-O 2.79Å; R90-S121 PolarHBondContact NH1-OG 2.81Å; R90-S121 PolarHBondContact NH2-O 3.25Å; R90-V125 HydrophobicContact CG-CG1 4.03Å; R90-V125 PolarHBondContact NH2-O 3.39Å; R90-V125 VanDerWaalsContact O-CG1 3.23Å; R90-V125 WeakPolarHBondContact O-CG1 3.42Å; R90-A126 PolarHBondContact NE-O 2.82Å; R90-A126 VanDerWaalsContact NE-O 3.12Å; R90-L128 HydrophobicContact CB-CD1 3.81Å; R90-L128 HydrophobicContact CB-CD2 4.25Å; R90-L128 HydrophobicContact CB-CG 3.98Å; R90-L128 HydrophobicContact CG-CD1 4.44Å; R90-L128 HydrophobicContact CG-CD2 4.43Å; R90-L128 HydrophobicContact CG-CG 4.11Å
91F97.8Very high97.8Very high83 Ų8334.2 Ų34.236%0.36419%0.19SC..Iπ-helixtrans-109.6-16.2-163.9-57.8-62.8000114.1A87 V118 V125A87-F91 HydrophobicContact CB-CD2 4.11Å; A87-F91 WeakPolarHBondContact O-CB 3.4Å; A87-F91 WeakPolarHBondContact O-CD2 3.46Å; A87-F91 PolarHBondContact O-N 3.48Å; F91-V118 HydrophobicContact CE2-CG1 3.84Å; F91-V125 HydrophobicContact CD1-CB 3.85Å; F91-V125 HydrophobicContact CD1-CG1 4Å; F91-V125 HydrophobicContact CD1-CG2 3.91Å; F91-V125 HydrophobicContact CE1-CB 3.92Å; F91-V125 HydrophobicContact CE1-CG1 4.31Å; F91-V125 HydrophobicContact CE1-CG2 4.34Å
92C97.2Very high97.8Very high103 Ų10334.9 Ų34.970%0.69619%0.193SC*.Iπ-helixtrans-108.3-19.2-174.4-55.30000113.7A88A88-C92 WeakPolarHBondContact O-CA 3.46Å; A88-C92 VanDerWaalsContact O-CB 3.25Å; A88-C92 WeakPolarHBondContact O-CB 3.25Å; A88-C92 PolarHBondContact O-N 3.42Å
93L97.1Very high97.8Very high22 Ų2234.3 Ų34.312%0.11519%0.189CC..SBendtrans-77.2146.9174.6-65-178.6000111.1I52 L70 A88 I89 A95I52-L93 HydrophobicContact CG2-CD2 3.84Å; L70-L93 HydrophobicContact CD1-CB 3.95Å; L70-L93 HydrophobicContact CD1-CD1 4.41Å; L70-L93 HydrophobicContact CD1-CD2 4.5Å; L70-L93 HydrophobicContact CD2-CD1 3.96Å; A88-L93 PolarHBondContact O-N 3.36Å; I89-L93 HydrophobicContact CB-CD1 4.47Å; I89-L93 HydrophobicContact CG2-CD1 4.16Å; L93-A95 PolarHBondContact O-N 3.26Å
94P96.7Very high97.7Very high85 Ų8531.2 Ų31.255%0.55217%0.174SC*.SBendtrans-73.2-13.1-176.529.7-36.9000114.1L66 D67 L70L66-P94 HydrophobicContact CB-CG 4.31Å; L66-P94 HydrophobicContact CD2-CG 3.82Å; L66-P94 HydrophobicContact CG-CG 3.91Å; D67-P94 HydrophobicContact CB-CB 4.35Å; D67-P94 HydrophobicContact CB-CG 4.35Å; L70-P94 HydrophobicContact CD1-CG 3.85Å
95A96.5Very high97.7Very high17 Ų1735.8 Ų35.814%0.1419%0.187CC..SBendtrans-151.1162.1176.100000110.8D67 L70 V71 L93D67-A95 HydrophobicContact CB-CB 4Å; L70-A95 HydrophobicContact CB-CB 4.16Å; L70-A95 HydrophobicContact CD1-CB 4.39Å; V71-A95 HydrophobicContact CG1-CB 3.88Å; L93-A95 PolarHBondContact O-N 3.26Å
96H94.6Very high97.6Very high63 Ų6337 Ų3729%0.29219%0.194SC..  trans-80.3138.3178.3-71.368.6000111.5V71 V125 A126V71-H96 WeakPolarHBondContact CA-O 3.45Å; H96-V125 WeakPolarHBondContact NE2-CG1 3.37Å; H96-A126 PolarHBondContact NE2-O 2.82Å
97L96.4Very high97.4Very high14 Ų1445 Ų457%0.07323%0.231CC..  trans-66.7151.8169.1-62.8168000111.2F23 L70 C73 L75 I89 I100F23-L97 HydrophobicContact CD1-CD2 4.05Å; F23-L97 HydrophobicContact CE1-CD1 3.74Å; F23-L97 HydrophobicContact CE1-CD2 3.37Å; F23-L97 HydrophobicContact CE1-CG 4.18Å; F23-L97 HydrophobicContact CZ-CD1 4.3Å; F23-L97 HydrophobicContact CZ-CD2 4.26Å; L70-L97 HydrophobicContact CB-CD2 4.23Å; L70-L97 HydrophobicContact CD2-CD2 3.31Å; L70-L97 HydrophobicContact CD2-CG 4.23Å; L70-L97 HydrophobicContact CG-CD2 4.36Å; L70-L97 WeakPolarHBondContact O-CA 3.43Å; C73-L97 HydrophobicContact CB-CD2 3.95Å; L75-L97 HydrophobicContact CB-CD1 3.98Å; L75-L97 HydrophobicContact CD2-CD1 4.16Å; I89-L97 HydrophobicContact CG2-CD1 3.53Å; L97-I100 HydrophobicContact CD1-CD1 4.43Å; L97-I100 HydrophobicContact CD1-CG1 4.11Å
98K96.8Very high97.3Very high117 Ų11752.6 Ų52.651%0.50925%0.253SS..SBendtrans-61.9-45.4173.2-179.8179.6160.4-145.70111.7C73 D74 N129C73-K98 WeakPolarHBondContact O-CB 3.13Å; C73-K98 PolarHBondContact O-N 3.29Å; D74-K98 IonicContact OD1-NZ 3.92Å; D74-K98 IonicContact OD2-NZ 3.93Å; D74-K98 PolarHBondContact OD2-NZ 2.78Å; K98-N129 PolarHBondContact O-ND2 3.41Å
99S97.6Very high97.3Very high8 Ų857.7 Ų57.76%0.05627%0.273CS..EExtended strand (participates in β ladder)trans-159.3162.6172.577.70000112.9D74 L75 N129D74-S99 WeakPolarHBondContact OD1-CB 3.42Å; D74-S99 PolarHBondContact OD1-N 3.17Å; D74-S99 PolarHBondContact OD1-OG 3.01Å; L75-S99 PolarHBondContact N-O 3.22Å; S99-N129 CarbonylContact C-O 3.5Å; S99-N129 WeakPolarHBondContact CA-O 3.23Å
100I98.3Very high97.3Very high1 Ų157.5 Ų57.51%0.00527%0.273CS..EExtended strand (participates in β ladder)trans-122.4117167.6-55.1175.4000107.5L75 P81 I89 L97 L128 N129 C130 I131L75-I100 HydrophobicContact CB-CG1 4.24Å; L75-I100 HydrophobicContact CB-CG2 4.46Å; L75-I100 HydrophobicContact CD2-CD1 4.49Å; L75-I100 HydrophobicContact CD2-CG1 4.27Å; L75-I100 HydrophobicContact CD2-CG2 4.16Å; L75-I100 HydrophobicContact CG-CG2 4.48Å; L75-I100 CarbonylContact O-C 3.59Å; L75-I100 WeakPolarHBondContact O-CA 3.29Å; P81-I100 HydrophobicContact CG-CG2 4.39Å; I89-I100 HydrophobicContact CD1-CD1 4.3Å; I89-I100 HydrophobicContact CG2-CD1 3.66Å; L97-I100 HydrophobicContact CD1-CD1 4.43Å; L97-I100 HydrophobicContact CD1-CG1 4.11Å; I100-L128 HydrophobicContact CD1-CB 4.12Å; I100-L128 HydrophobicContact CD1-CD1 3.65Å; I100-L128 HydrophobicContact CD1-CD2 4.17Å; I100-L128 HydrophobicContact CD1-CG 4.19Å; I100-N129 PolarHBondContact N-O 2.95Å; I100-C130 CarbonylContact O-C 3.5Å; I100-C130 WeakPolarHBondContact O-CA 3.3Å; I100-I131 PolarHBondContact O-N 3.04Å
101T98.6Very high97.3Very high10 Ų1057.1 Ų57.16%0.06127%0.271CS..EExtended strand (participates in β ladder)trans-105.3125.7174.8-60.90000109.7M1 L75 F76 V77 I131 V134M1-T101 HydrophobicContact CE-CG2 4.02Å; L75-T101 PolarHBondContact O-N 2.83Å; F76-T101 CarbonylContact C-O 3.59Å; F76-T101 WeakPolarHBondContact CA-O 3.45Å; F76-T101 HydrophobicContact CD1-CG2 4Å; F76-T101 HydrophobicContact CE1-CG2 4.06Å; V77-T101 PolarHBondContact N-O 3.48Å; T101-I131 CarbonylContact C-O 3.56Å; T101-I131 VanDerWaalsContact CA-O 3.29Å; T101-I131 WeakPolarHBondContact CA-O 3.22Å; T101-I131 HydrophobicContact CG2-CB 4.41Å; T101-I131 HydrophobicContact CG2-CG2 4.36Å; T101-V134 HydrophobicContact CG2-CB 3.86Å; T101-V134 HydrophobicContact CG2-CG1 4.42Å; T101-V134 HydrophobicContact CG2-CG2 3.43Å; T101-V134 VanDerWaalsContact CG2-CG2 3.43Å
102Y98.7Very high97.3Very high14 Ų1453.5 Ų53.56%0.05526%0.256CS..EExtended strand (participates in β ladder)trans-129.9153175.864.4-94.7000114.4V77 E80 C112 C130 I131 S132 G133 V134V77-Y102 WeakPolarHBondContact O-CA 3.43Å; V77-Y102 WeakPolarHBondContact O-CB 3.45Å; E80-Y102 HydrophobicContact CB-CD2 3.67Å; E80-Y102 HydrophobicContact CB-CE2 3.67Å; E80-Y102 HydrophobicContact CB-CG 4.24Å; E80-Y102 HydrophobicContact CG-CD2 4.19Å; E80-Y102 HydrophobicContact CG-CE1 4.3Å; E80-Y102 HydrophobicContact CG-CE2 3.8Å; Y102-C112 HydrophobicContact CE1-CB 3.91Å; Y102-C130 HydrophobicContact CE1-CB 4.14Å; Y102-I131 PolarHBondContact N-O 3.4Å; Y102-S132 CarbonylContact O-C 3.55Å; Y102-S132 WeakPolarHBondContact OH-CB 3.22Å; Y102-G133 PolarHBondContact O-N 3.2Å; Y102-V134 PolarHBondContact O-N 3.01Å
103G98.4Very high97.3Very high1 Ų150 Ų501%0.0124%0.237CC..EExtended strand (participates in β ladder)trans-81.5-99.717800000113V77 T78 G133 V134 A136V77-G103 PolarHBondContact O-N 3.44Å; T78-G103 CarbonylContact O-C 3.53Å; T78-G103 VanDerWaalsContact O-CA 3.31Å; T78-G103 WeakPolarHBondContact O-CA 3.35Å; T78-G103 PolarHBondContact O-N 3.04Å; G103-G133 PolarHBondContact O-N 2.69Å; G103-V134 WeakPolarHBondContact CA-O 3.07Å; G103-A136 WeakPolarHBondContact O-CB 3.32Å
104A98.1Very high97.4Very high1 Ų150.4 Ų50.41%0.00824%0.242CC..EExtended strand (participates in β ladder)trans-68.5148.2-175.500000112T78 V79 E80 A139 V140T78-A104 PolarHBondContact O-N 3.4Å; V79-A104 CarbonylContact C-O 3.5Å; V79-A104 HydrophobicContact CG2-CB 4.49Å; E80-A104 WeakPolarHBondContact CB-O 3.36Å; E80-A104 PolarHBondContact N-O 3.09Å; A104-A139 HydrophobicContact CB-CB 3.63Å; A104-V140 HydrophobicContact CB-CG2 3.64Å
105R97.9Very high97.5Very high158 Ų15849.6 Ų49.660%0.59624%0.236SC*.  trans-69.5151.9167.2-67.1-174.969.2160.64110.8S114R105-S114 PolarHBondContact NE-OG 3.48Å; R105-S114 PolarHBondContact NH2-OG 3.12Å
106N97.7Very high97.5Very high26 Ų2653.1 Ų53.114%0.13925%0.251CS..  trans-108.886.8176.3-174.8-15.1000109.8V79 E80 R108 F109 G110 S114V79-N106 HydrophobicContact CG1-CB 4.01Å; E80-N106 HydrophobicContact CB-CB 3.73Å; E80-N106 HydrophobicContact CG-CB 4.37Å; E80-N106 WeakPolarHBondContact O-CB 3.34Å; E80-N106 PolarHBondContact O-ND2 3.31Å; E80-N106 PolarHBondContact OE2-N 3.36Å; N106-R108 PolarHBondContact O-N 3.31Å; N106-R108 VanDerWaalsContact O-N 3.15Å; N106-F109 PolarHBondContact O-N 3.45Å; N106-F109 PolarHBondContact OD1-N 3.38Å; N106-G110 VanDerWaalsContact O-CA 3.29Å; N106-G110 WeakPolarHBondContact O-CA 3.44Å; N106-G110 PolarHBondContact O-N 2.92Å; N106-S114 WeakPolarHBondContact O-CB 3.41Å
107E94.6Very high97.7Very high168 Ų16852.7 Ų52.779%0.78526%0.255SS*.THydrogen-bonded Turntrans-63.9-21.6-172-61.8-178.2168.600114.3V115E107-V115 WeakPolarHBondContact O-CG2 3.35Å
108R95.6Very high97.8Very high190 Ų19052.8 Ų52.872%0.71726%0.257SS*.THydrogen-bonded Turntrans-101.9-29.3-175.9-67.3-172.8178.6-172.9-0.7113.7N106N106-R108 PolarHBondContact O-N 3.31Å; N106-R108 VanDerWaalsContact O-N 3.15Å
109F97.9Very high97.8Very high119 Ų11948.2 Ų48.252%0.52224%0.237SC..THydrogen-bonded Turntrans-137.94.1-170.6-48.3-63.9000114.3C82 I83 N106 G111C82-F109 CarbonylContact C-O 2.95Å; C82-F109 WeakPolarHBondContact CA-O 3.42Å; C82-F109 HydrophobicContact CB-CB 4.03Å; I83-F109 WeakPolarHBondContact CG1-O 3.49Å; I83-F109 PolarHBondContact N-O 2.93Å; N106-F109 PolarHBondContact O-N 3.45Å; N106-F109 PolarHBondContact OD1-N 3.38Å; F109-G111 PolarHBondContact O-N 3.49Å
110G98.4Very high97.9Very high0 Ų051.7 Ų51.70%026%0.255CS..BIsolated β-bridgetrans-61.9124.8-17100000114.3E80 N106 V115 L116E80-G110 WeakPolarHBondContact OE1-CA 3.24Å; N106-G110 VanDerWaalsContact O-CA 3.29Å; N106-G110 WeakPolarHBondContact O-CA 3.44Å; N106-G110 PolarHBondContact O-N 2.92Å; G110-V115 WeakPolarHBondContact O-CB 3.3Å; G110-V115 PolarHBondContact O-N 3.29Å; G110-L116 PolarHBondContact O-N 3.16Å
111G98.6Very high97.8Very high0 Ų053.7 Ų53.70%027%0.269CS..THydrogen-bonded Turntrans-96-1.5176.900000114P81 F109 L116 V118 H119P81-G111 PolarHBondContact O-N 2.83Å; F109-G111 PolarHBondContact O-N 3.49Å; G111-L116 CarbonylContact C-O 3.43Å; G111-L116 VanDerWaalsContact CA-O 3.24Å; G111-L116 WeakPolarHBondContact CA-O 3.31Å; G111-V118 WeakPolarHBondContact O-CA 3.35Å; G111-V118 WeakPolarHBondContact O-CB 3.49Å; G111-V118 PolarHBondContact O-N 3.48Å; G111-H119 PolarHBondContact O-N 3.12Å; G111-H119 VanDerWaalsContact O-N 3.11Å; G111-H119 PolarHBondContact O-ND1 3.23Å
112C98.2Very high97.7Very high6 Ų659.8 Ų59.84%0.04131%0.309CS..BIsolated β-bridgetrans-105.625.3178.5-62.50000112.2E80 Y102 H119E80-C112 HydrophobicContact CG-CB 3.68Å; E80-C112 VanDerWaalsContact OE1-CA 3.31Å; E80-C112 WeakPolarHBondContact OE1-CA 3.18Å; E80-C112 PolarHBondContact OE1-N 2.91Å; Y102-C112 HydrophobicContact CE1-CB 3.91Å; C112-H119 VanDerWaalsContact CA-ND1 3.3Å; C112-H119 WeakPolarHBondContact CA-ND1 3.04Å; C112-H119 HydrophobicContact CB-CB 4.4Å; C112-H119 PolarHBondContact O-CE1 3.44Å; C112-H119 VanDerWaalsContact O-CE1 3.26Å
113G97.4Very high97.6Very high30 Ų3062.3 Ų62.331%0.30933%0.328SS..THydrogen-bonded Turntrans116.1-7.7171.800000115.9E80 L116E80-G113 PolarHBondContact OE1-N 2.82Å; G113-L116 PolarHBondContact N-O 2.77Å
114S97.9Very high97.4Very high30 Ų3067.6 Ų67.621%0.2137%0.372CS..THydrogen-bonded Turntrans-76.2-38.7174.8-67.50000114E80 R105 N106E80-S114 PolarHBondContact OE1-N 3.26Å; E80-S114 VanDerWaalsContact OE1-N 3.09Å; E80-S114 WeakPolarHBondContact OE2-CB 3.5Å; E80-S114 PolarHBondContact OE2-OG 3.25Å; R105-S114 PolarHBondContact NE-OG 3.48Å; R105-S114 PolarHBondContact NH2-OG 3.12Å; N106-S114 WeakPolarHBondContact O-CB 3.41Å
115V98.4Very high97.3Very high69 Ų6969.7 Ų69.742%0.41839%0.385SS..SBendtrans-117.9-54174.8-178.50000110.6I83 E107 G110I83-V115 HydrophobicContact CD1-CG1 4.49Å; E107-V115 WeakPolarHBondContact O-CG2 3.35Å; G110-V115 WeakPolarHBondContact O-CB 3.3Å; G110-V115 PolarHBondContact O-N 3.29Å
116L98.3Very high97.1Very high90 Ų9064.7 Ų64.747%0.47138%0.377SS..  trans-125.2151.2173.1-65.2-177.7000110I83 G110 G111 G113 V118I83-L116 HydrophobicContact CD1-CB 4.42Å; I83-L116 HydrophobicContact CD1-CD1 3.66Å; I83-L116 HydrophobicContact CD1-CG 3.98Å; I83-L116 HydrophobicContact CG1-CB 4.19Å; I83-L116 HydrophobicContact CG1-CD1 3.96Å; I83-L116 HydrophobicContact CG1-CG 4.27Å; I83-L116 HydrophobicContact CG2-CD1 4.37Å; G110-L116 PolarHBondContact O-N 3.16Å; G111-L116 CarbonylContact C-O 3.43Å; G111-L116 VanDerWaalsContact CA-O 3.24Å; G111-L116 WeakPolarHBondContact CA-O 3.31Å; G113-L116 PolarHBondContact N-O 2.77Å; L116-V118 VanDerWaalsContact C-N 3.3Å; L116-V118 HydrophobicContact CB-CG2 3.89Å; L116-V118 HydrophobicContact CD1-CG2 4.49Å; L116-V118 PolarHBondContact O-N 2.95Å
117S97.8Very high97.1Very high54 Ų5467.3 Ų67.338%0.37840%0.395SS..BIsolated β-bridgetrans-96.351.4175-510000111.2H119 N120 S121S117-H119 PolarHBondContact O-N 3.24Å; S117-N120 WeakPolarHBondContact CB-OD1 3.34Å; S117-N120 PolarHBondContact O-N 3.38Å; S117-N120 PolarHBondContact O-OD1 3.38Å; S117-S121 WeakPolarHBondContact O-CB 3.16Å; S117-S121 PolarHBondContact O-N 3.35Å
118V98.4Very high97.2Very high16 Ų1659.9 Ų59.910%0.09736%0.361CS..THydrogen-bonded Turntrans-56.7-33.7178.6-176.60000111.2I83 A86 A87 R90 F91 G111 L116 N120I83-V118 HydrophobicContact CB-CG2 4.5Å; I83-V118 HydrophobicContact CG1-CG2 4.37Å; I83-V118 HydrophobicContact CG2-CG2 4.1Å; A86-V118 HydrophobicContact CB-CB 4.05Å; A86-V118 HydrophobicContact CB-CG1 4.18Å; A87-V118 HydrophobicContact CB-CG1 3.93Å; R90-V118 WeakPolarHBondContact CD-O 3.34Å; R90-V118 PolarHBondContact NH1-O 2.9Å; F91-V118 HydrophobicContact CE2-CG1 3.84Å; G111-V118 WeakPolarHBondContact O-CA 3.35Å; G111-V118 WeakPolarHBondContact O-CB 3.49Å; G111-V118 PolarHBondContact O-N 3.48Å; L116-V118 VanDerWaalsContact C-N 3.3Å; L116-V118 HydrophobicContact CB-CG2 3.89Å; L116-V118 HydrophobicContact CD1-CG2 4.49Å; L116-V118 PolarHBondContact O-N 2.95Å; V118-N120 VanDerWaalsContact C-N 3.26Å; V118-N120 PolarHBondContact O-N 3.47Å
119H97.9Very high97.3Very high22 Ų2255.3 Ų55.310%0.10235%0.351CS..THydrogen-bonded Turntrans-60.2-26.7176.372.4-64.1000114.9G111 C112 S117 P127 L128G111-H119 PolarHBondContact O-N 3.12Å; G111-H119 VanDerWaalsContact O-N 3.11Å; G111-H119 PolarHBondContact O-ND1 3.23Å; C112-H119 VanDerWaalsContact CA-ND1 3.3Å; C112-H119 WeakPolarHBondContact CA-ND1 3.04Å; C112-H119 HydrophobicContact CB-CB 4.4Å; C112-H119 PolarHBondContact O-CE1 3.44Å; C112-H119 VanDerWaalsContact O-CE1 3.26Å; S117-H119 PolarHBondContact O-N 3.24Å; H119-P127 CarbonylContact O-C 3.43Å; H119-P127 WeakPolarHBondContact O-CA 3.36Å; H119-L128 HydrophobicContact CB-CB 4.13Å; H119-L128 HydrophobicContact CB-CD1 4.13Å; H119-L128 HydrophobicContact CB-CG 4.5Å; H119-L128 PolarHBondContact O-N 3.33Å
120N97.7Very high97.3Very high81 Ų8151.3 Ų51.343%0.43334%0.337SS..THydrogen-bonded Turntrans-137.84.5-174.274.69.8000115.4S117 V118 P127S117-N120 WeakPolarHBondContact CB-OD1 3.34Å; S117-N120 PolarHBondContact O-N 3.38Å; S117-N120 PolarHBondContact O-OD1 3.38Å; V118-N120 VanDerWaalsContact C-N 3.26Å; V118-N120 PolarHBondContact O-N 3.47Å; N120-P127 HydrophobicContact CB-CB 4.02Å
121S97.4Very high97.3Very high42 Ų4255.1 Ų55.129%0.29436%0.357SS..SBendtrans-54.6147.6176.960.80000112.2R90 S117 S123R90-S121 VanDerWaalsContact CZ-O 3.28Å; R90-S121 PolarHBondContact NH1-O 2.79Å; R90-S121 PolarHBondContact NH1-OG 2.81Å; R90-S121 PolarHBondContact NH2-O 3.25Å; S117-S121 WeakPolarHBondContact O-CB 3.16Å; S117-S121 PolarHBondContact O-N 3.35Å; S121-S123 PolarHBondContact O-N 3.48Å
122P97.1Very high97.2Very high138 Ų13858.7 Ų58.790%0.89638%0.382SS*.SBendtrans-55.5125.4179.8-26.735.2000112.7
123S95.5Very high97.1Very high67 Ų6760.5 Ų60.547%0.46940%0.401SS..SBendtrans-164.4166.3179.4178.20000109.6S121 V125S121-S123 PolarHBondContact O-N 3.48Å; S123-V125 PolarHBondContact O-N 3.07Å; S123-V125 PolarHBondContact OG-N 3.19Å
124A95.1Very high97.1Very high112 Ų11261.6 Ų61.693%0.92640%0.402SS*.SBendtrans-66.7-19.8167.900000112.5
125V94.7Very high97.1Very high46 Ų4664.4 Ų64.428%0.27941%0.412SS..SBendtrans-88.2129.6179.4-179.40000109.8R90 F91 H96 S123R90-V125 HydrophobicContact CG-CG1 4.03Å; R90-V125 PolarHBondContact NH2-O 3.39Å; R90-V125 VanDerWaalsContact O-CG1 3.23Å; R90-V125 WeakPolarHBondContact O-CG1 3.42Å; F91-V125 HydrophobicContact CD1-CB 3.85Å; F91-V125 HydrophobicContact CD1-CG1 4Å; F91-V125 HydrophobicContact CD1-CG2 3.91Å; F91-V125 HydrophobicContact CE1-CB 3.92Å; F91-V125 HydrophobicContact CE1-CG1 4.31Å; F91-V125 HydrophobicContact CE1-CG2 4.34Å; H96-V125 WeakPolarHBondContact NE2-CG1 3.37Å; S123-V125 PolarHBondContact O-N 3.07Å; S123-V125 PolarHBondContact OG-N 3.19Å
126A94.7Very high97.1Very high52 Ų5262.4 Ų62.443%0.4340%0.402SS..PPolyproline II helixtrans-57.4152.8-178.100000112.5R90 H96R90-A126 PolarHBondContact NE-O 2.82Å; R90-A126 VanDerWaalsContact NE-O 3.12Å; H96-A126 PolarHBondContact NE2-O 2.82Å
127P97.4Very high97Very high81 Ų8166.4 Ų66.453%0.52642%0.419SS..PPolyproline II helixtrans-62.2155172.8-23.335000113H119 N120H119-P127 CarbonylContact O-C 3.43Å; H119-P127 WeakPolarHBondContact O-CA 3.36Å; N120-P127 HydrophobicContact CB-CB 4.02Å
128L97.6Very high97Very high12 Ų1265.9 Ų65.96%0.06342%0.418CS..PPolyproline II helixtrans-81.5138.6168.4-60.3170.5000110.2I89 R90 I100 H119 C130I89-L128 HydrophobicContact CB-CD1 4.41Å; I89-L128 HydrophobicContact CG2-CD1 4.09Å; I89-L128 HydrophobicContact CG2-CD2 3.95Å; R90-L128 HydrophobicContact CB-CD1 3.81Å; R90-L128 HydrophobicContact CB-CD2 4.25Å; R90-L128 HydrophobicContact CB-CG 3.98Å; R90-L128 HydrophobicContact CG-CD1 4.44Å; R90-L128 HydrophobicContact CG-CD2 4.43Å; R90-L128 HydrophobicContact CG-CG 4.11Å; I100-L128 HydrophobicContact CD1-CB 4.12Å; I100-L128 HydrophobicContact CD1-CD1 3.65Å; I100-L128 HydrophobicContact CD1-CD2 4.17Å; I100-L128 HydrophobicContact CD1-CG 4.19Å; H119-L128 HydrophobicContact CB-CB 4.13Å; H119-L128 HydrophobicContact CB-CD1 4.13Å; H119-L128 HydrophobicContact CB-CG 4.5Å; H119-L128 PolarHBondContact O-N 3.33Å; L128-C130 PolarHBondContact O-N 3.29Å
129N97.4Very high97Very high94 Ų9465.1 Ų65.150%0.50341%0.413SS..  trans-81.193.6172.5179.325.3000110K98 S99 I100K98-N129 PolarHBondContact O-ND2 3.41Å; S99-N129 CarbonylContact C-O 3.5Å; S99-N129 WeakPolarHBondContact CA-O 3.23Å; I100-N129 PolarHBondContact N-O 2.95Å
130C97.9Very high97Very high36 Ų3666.7 Ų66.724%0.24342%0.424CS..EExtended strand (participates in β ladder)trans-98.9127.8-175.5-68.40000112.4I100 Y102 L128I100-C130 CarbonylContact O-C 3.5Å; I100-C130 WeakPolarHBondContact O-CA 3.3Å; Y102-C130 HydrophobicContact CE1-CB 4.14Å; L128-C130 PolarHBondContact O-N 3.29Å
131I98Very high97Very high79 Ų7967 Ų6741%0.40542%0.423SS..EExtended strand (participates in β ladder)trans-112.4121.9172.6-57.8167.5000107.6I100 T101 Y102I100-I131 PolarHBondContact O-N 3.04Å; T101-I131 CarbonylContact C-O 3.56Å; T101-I131 VanDerWaalsContact CA-O 3.29Å; T101-I131 WeakPolarHBondContact CA-O 3.22Å; T101-I131 HydrophobicContact CG2-CB 4.41Å; T101-I131 HydrophobicContact CG2-CG2 4.36Å; Y102-I131 PolarHBondContact N-O 3.4Å
132S97.1Very high97Very high75 Ų7565.6 Ų65.652%0.52441%0.412SS..EExtended strand (participates in β ladder)trans-113.2151.4-173.867.40000112.3Y102Y102-S132 CarbonylContact O-C 3.55Å; Y102-S132 WeakPolarHBondContact OH-CB 3.22Å
133G96Very high97Very high44 Ų4460.4 Ų60.445%0.45438%0.377SS..  trans99.73.7166.700000115.3Y102 G103 E135 A136Y102-G133 PolarHBondContact O-N 3.2Å; G103-G133 PolarHBondContact O-N 2.69Å; G133-E135 PolarHBondContact O-N 2.75Å; G133-A136 PolarHBondContact O-N 2.81Å
134V97.5Very high96.9Very high53 Ų5363 Ų6332%0.32138%0.38SS..THydrogen-bonded Turntrans-72.8112.9-178.6178.10000110.1M1 T101 Y102 G103 A136M1-V134 HydrophobicContact CB-CG1 4.2Å; M1-V134 HydrophobicContact CE-CB 4.13Å; M1-V134 HydrophobicContact CE-CG1 4.17Å; M1-V134 HydrophobicContact CG-CG1 4.17Å; T101-V134 HydrophobicContact CG2-CB 3.86Å; T101-V134 HydrophobicContact CG2-CG1 4.42Å; T101-V134 HydrophobicContact CG2-CG2 3.43Å; T101-V134 VanDerWaalsContact CG2-CG2 3.43Å; Y102-V134 PolarHBondContact O-N 3.01Å; G103-V134 WeakPolarHBondContact CA-O 3.07Å; V134-A136 PolarHBondContact O-N 2.88Å
135E97.2Very high97Very high89 Ų8962.8 Ų62.842%0.41636%0.358SS..THydrogen-bonded Turntrans55.533.8-176.2-58.3178.7-91.700112.9M1 F5 G133 E137 A138 A139M1-E135 WeakPolarHBondContact CB-OE1 3.25Å; M1-E135 WeakPolarHBondContact CG-OE1 3.39Å; F5-E135 HydrophobicContact CE2-CB 3.6Å; F5-E135 HydrophobicContact CE2-CG 4.39Å; F5-E135 HydrophobicContact CZ-CB 3.88Å; F5-E135 WeakPolarHBondContact CZ-O 3.42Å; G133-E135 PolarHBondContact O-N 2.75Å; E135-E137 VanDerWaalsContact C-N 3.28Å; E135-E137 PolarHBondContact O-N 3.33Å; E135-A138 HydrophobicContact CB-CB 4.41Å; E135-A138 PolarHBondContact O-N 3.42Å; E135-A138 VanDerWaalsContact O-N 3.12Å; E135-A139 PolarHBondContact O-N 2.9Å; E135-A139 VanDerWaalsContact O-N 3.16Å
136A97.7Very high96.9Very high27 Ų2762.5 Ų62.522%0.22335%0.353CS..Hα-helixtrans-56.7-39.3-175.600000113.4G103 G133 V134 A138 A139 V140G103-A136 WeakPolarHBondContact O-CB 3.32Å; G133-A136 PolarHBondContact O-N 2.81Å; V134-A136 PolarHBondContact O-N 2.88Å; A136-A138 PolarHBondContact O-N 2.9Å; A136-A139 PolarHBondContact O-N 3.24Å; A136-V140 WeakPolarHBondContact O-CG2 3.09Å; A136-V140 PolarHBondContact O-N 3.04Å
137E97.9Very high96.7Very high174 Ų17466.3 Ų66.381%0.81336%0.357SS*.Hα-helixtrans-61.9-42.6178.4-66.5177.9177.500111.9E135 A139 V140 E141E135-E137 VanDerWaalsContact C-N 3.28Å; E135-E137 PolarHBondContact O-N 3.33Å; E137-A139 PolarHBondContact O-N 3.2Å; E137-V140 PolarHBondContact O-N 3.04Å; E137-E141 WeakPolarHBondContact O-CB 3.26Å; E137-E141 PolarHBondContact O-N 3.01Å
138A98Very high96.3Very high43 Ų4366.3 Ų66.336%0.35536%0.364SS..Hα-helixtrans-64.5-40.5177.200000111.5F5 E135 A136 E141 L142F5-A138 HydrophobicContact CE1-CB 3.73Å; F5-A138 HydrophobicContact CZ-CB 3.82Å; E135-A138 HydrophobicContact CB-CB 4.41Å; E135-A138 PolarHBondContact O-N 3.42Å; E135-A138 VanDerWaalsContact O-N 3.12Å; A136-A138 PolarHBondContact O-N 2.9Å; A138-E141 PolarHBondContact O-N 2.94Å; A138-L142 PolarHBondContact O-N 3.35Å; A138-L142 VanDerWaalsContact O-N 3.09Å
139A97.9Very high95.8Very high1 Ų169.3 Ų69.31%0.00838%0.378CS..Hα-helixtrans-65.9-42.6176.500000112.2F5 T78 A104 E135 A136 E137 E141 L142 L143F5-A139 HydrophobicContact CE1-CB 3.97Å; F5-A139 HydrophobicContact CZ-CB 3.74Å; T78-A139 WeakPolarHBondContact O-CB 3.45Å; A104-A139 HydrophobicContact CB-CB 3.63Å; E135-A139 PolarHBondContact O-N 2.9Å; E135-A139 VanDerWaalsContact O-N 3.16Å; A136-A139 PolarHBondContact O-N 3.24Å; E137-A139 PolarHBondContact O-N 3.2Å; A139-E141 VanDerWaalsContact C-N 3.3Å; A139-E141 PolarHBondContact O-N 2.66Å; A139-L142 PolarHBondContact O-N 2.94Å; A139-L143 PolarHBondContact O-N 3.15Å; A139-L143 VanDerWaalsContact O-N 3.12Å
140V97.5Very high94.8Very high55 Ų5568.6 Ų68.633%0.33337%0.371SS..Hα-helixtrans-61.3-40.6173.8169.90000110.9A104 A136 E137 L142 L143 K144A104-V140 HydrophobicContact CB-CG2 3.64Å; A136-V140 WeakPolarHBondContact O-CG2 3.09Å; A136-V140 PolarHBondContact O-N 3.04Å; E137-V140 PolarHBondContact O-N 3.04Å; V140-L142 PolarHBondContact O-N 3.03Å; V140-L143 PolarHBondContact O-N 3.26Å; V140-K144 HydrophobicContact CG1-CD 4.16Å; V140-K144 HydrophobicContact CG1-CG 4.37Å; V140-K144 WeakPolarHBondContact O-CG 3.29Å; V140-K144 PolarHBondContact O-N 2.87Å
141E97.7Very high93.9Very high87 Ų8771.6 Ų71.641%0.40739%0.385SS..Hα-helixtrans-65-38.4179.9-17254.2-14800112.3E137 A138 A139 K144 K145E137-E141 WeakPolarHBondContact O-CB 3.26Å; E137-E141 PolarHBondContact O-N 3.01Å; A138-E141 PolarHBondContact O-N 2.94Å; A139-E141 VanDerWaalsContact C-N 3.3Å; A139-E141 PolarHBondContact O-N 2.66Å; E141-K144 PolarHBondContact O-N 2.84Å; E141-K145 WeakPolarHBondContact O-CG 3.31Å; E141-K145 PolarHBondContact O-N 3.18Å
142L97.1Very high92.9Very high13 Ų1374.3 Ų74.37%0.06840%0.396CS..Hα-helixtrans-62.4-45.9171.4-71.8-178.9000112F5 A8 L12 P18 A138 A139 V140 K144 K145 F146F5-L142 HydrophobicContact CD1-CD1 3.67Å; F5-L142 HydrophobicContact CE1-CD1 3.99Å; A8-L142 HydrophobicContact CB-CD1 3.75Å; L12-L142 HydrophobicContact CD2-CD2 4.04Å; P18-L142 HydrophobicContact CB-CB 4.03Å; P18-L142 HydrophobicContact CG-CB 3.98Å; P18-L142 WeakPolarHBondContact CG-O 3.4Å; A138-L142 PolarHBondContact O-N 3.35Å; A138-L142 VanDerWaalsContact O-N 3.09Å; A139-L142 PolarHBondContact O-N 2.94Å; V140-L142 PolarHBondContact O-N 3.03Å; L142-K144 VanDerWaalsContact C-N 3.31Å; L142-K144 PolarHBondContact O-N 3.14Å; L142-K145 WeakPolarHBondContact O-CB 3.21Å; L142-K145 PolarHBondContact O-N 3.09Å; L142-F146 PolarHBondContact O-N 2.97Å
143L96.3Very high92Very high29 Ų2978 Ų7815%0.15241%0.41CS..Hα-helixtrans-59.1-42.9176.5-72.1171.3000111.7V17 P18 V79 A139 V140 K145 F146 Y147V17-L143 HydrophobicContact CG1-CD2 3.99Å; P18-L143 HydrophobicContact CG-CD2 4.15Å; V79-L143 HydrophobicContact CG1-CD1 4.45Å; V79-L143 HydrophobicContact CG2-CD1 3.82Å; V79-L143 HydrophobicContact CG2-CD2 4.35Å; V79-L143 HydrophobicContact CG2-CG 4.23Å; A139-L143 PolarHBondContact O-N 3.15Å; A139-L143 VanDerWaalsContact O-N 3.12Å; V140-L143 PolarHBondContact O-N 3.26Å; L143-K145 VanDerWaalsContact C-N 3.35Å; L143-K145 PolarHBondContact O-N 2.94Å; L143-F146 WeakPolarHBondContact O-CB 3.34Å; L143-F146 PolarHBondContact O-N 2.91Å; L143-Y147 HydrophobicContact CB-CE2 4.39Å; L143-Y147 HydrophobicContact CD2-CE2 4.42Å; L143-Y147 WeakPolarHBondContact O-CD2 3.24Å; L143-Y147 PolarHBondContact O-N 3.39Å
144K95.1Very high91.1Very high122 Ų12276.7 Ų76.753%0.5340%0.395SS..Hα-helixtrans-59.8-44.4175.3-74.6173.1-179.9169.90111.7V140 E141 L142 F146 Y147 A148V140-K144 HydrophobicContact CG1-CD 4.16Å; V140-K144 HydrophobicContact CG1-CG 4.37Å; V140-K144 WeakPolarHBondContact O-CG 3.29Å; V140-K144 PolarHBondContact O-N 2.87Å; E141-K144 PolarHBondContact O-N 2.84Å; L142-K144 VanDerWaalsContact C-N 3.31Å; L142-K144 PolarHBondContact O-N 3.14Å; K144-F146 VanDerWaalsContact C-N 3.31Å; K144-F146 PolarHBondContact O-N 3.5Å; K144-Y147 PolarHBondContact O-N 2.88Å; K144-A148 VanDerWaalsContact O-CB 3.25Å; K144-A148 WeakPolarHBondContact O-CB 3.39Å; K144-A148 PolarHBondContact O-N 2.51Å
145K95.7Very high90.3Very high107 Ų10777.3 Ų77.347%0.46540%0.4SS..Hα-helixtrans-58.2-43.4176-73.4170.7-178.2173.30111.6L12 E141 L142 L143 A148 Q149L12-K145 HydrophobicContact CD2-CB 3.96Å; L12-K145 HydrophobicContact CD2-CD 4.35Å; E141-K145 WeakPolarHBondContact O-CG 3.31Å; E141-K145 PolarHBondContact O-N 3.18Å; L142-K145 WeakPolarHBondContact O-CB 3.21Å; L142-K145 PolarHBondContact O-N 3.09Å; L143-K145 VanDerWaalsContact C-N 3.35Å; L143-K145 PolarHBondContact O-N 2.94Å; K145-A148 PolarHBondContact O-N 3.23Å; K145-Q149 WeakPolarHBondContact O-CG 3.09Å; K145-Q149 PolarHBondContact O-N 3.26Å
146F94.1Very high89.6Confident39 Ų3980.3 Ų80.317%0.17141%0.414CS..Hα-helixtrans-61.9-50.9175.7178.8-102.6000112.4L12 E16 V17 P18 L142 L143 K144 A148 Q149L12-F146 HydrophobicContact CD1-CB 3.73Å; L12-F146 HydrophobicContact CD1-CD2 4.15Å; L12-F146 HydrophobicContact CD1-CG 4.46Å; E16-F146 VanDerWaalsContact C-CE2 3.47Å; E16-F146 WeakPolarHBondContact O-CD2 3.5Å; E16-F146 WeakPolarHBondContact O-CE2 3.5Å; V17-F146 HydrophobicContact CB-CE1 4.47Å; V17-F146 HydrophobicContact CG2-CD1 4.46Å; V17-F146 HydrophobicContact CG2-CE1 3.77Å; V17-F146 HydrophobicContact CG2-CZ 3.88Å; P18-F146 HydrophobicContact CG-CB 3.9Å; L142-F146 PolarHBondContact O-N 2.97Å; L143-F146 WeakPolarHBondContact O-CB 3.34Å; L143-F146 PolarHBondContact O-N 2.91Å; K144-F146 VanDerWaalsContact C-N 3.31Å; K144-F146 PolarHBondContact O-N 3.5Å; F146-A148 PolarHBondContact O-N 3.33Å; F146-Q149 VanDerWaalsContact O-CB 3.3Å; F146-Q149 WeakPolarHBondContact O-CB 3.47Å; F146-Q149 PolarHBondContact O-N 3.01Å
147Y89.3Confident88.9Confident133 Ų13386.4 Ų86.452%0.52244%0.437SS..Hα-helixtrans-72.2-15-179.2-66.3-61.2000114.4L143 K144L143-Y147 HydrophobicContact CB-CE2 4.39Å; L143-Y147 HydrophobicContact CD2-CE2 4.42Å; L143-Y147 WeakPolarHBondContact O-CD2 3.24Å; L143-Y147 PolarHBondContact O-N 3.39Å; K144-Y147 PolarHBondContact O-N 2.88Å
148A90Very high87.9Confident80 Ų8084.1 Ų84.166%0.66143%0.43SS*.Hα-helixtrans-79.9-21.617000000112.7K144 K145 F146K144-A148 VanDerWaalsContact O-CB 3.25Å; K144-A148 WeakPolarHBondContact O-CB 3.39Å; K144-A148 PolarHBondContact O-N 2.51Å; K145-A148 PolarHBondContact O-N 3.23Å; F146-A148 PolarHBondContact O-N 3.33Å
149Q86.8Confident86.9Confident76 Ų7686.5 Ų86.536%0.35543%0.43SS..SBendtrans-64.2147.8172.2-67.8168.8-7.700110.1K145 F146K145-Q149 WeakPolarHBondContact O-CG 3.09Å; K145-Q149 PolarHBondContact O-N 3.26Å; F146-Q149 VanDerWaalsContact O-CB 3.3Å; F146-Q149 WeakPolarHBondContact O-CB 3.47Å; F146-Q149 PolarHBondContact O-N 3.01Å
150E76.6Confident85.3Confident78 Ų7893.7 Ų93.736%0.36446%0.461SS..  trans-77.9132.4175.6-167.6162.2-151.400108.9E152 R159 K160E150-E152 PolarHBondContact O-N 2.88Å; E150-R159 HydrophobicContact CG-CB 4.37Å; E150-R159 VanDerWaalsContact OE1-CB 3.32Å; E150-R159 WeakPolarHBondContact OE1-CB 3.41Å; E150-K160 PolarHBondContact OE1-N 3.11Å
151N77.9Confident83.3Confident99 Ų99101.7 Ų101.753%0.52949%0.485SS..  trans-7598.8173.9-1782.8000108.6N153 A154N151-N153 PolarHBondContact O-N 3.46Å; N151-N153 VanDerWaalsContact O-N 3.14Å; N151-N153 WeakPolarHBondContact OD1-CB 3.12Å; N151-N153 PolarHBondContact OD1-N 2.95Å; N151-A154 HydrophobicContact CB-CB 4.12Å; N151-A154 VanDerWaalsContact O-CB 3.26Å; N151-A154 WeakPolarHBondContact O-CB 3.44Å; N151-A154 PolarHBondContact O-N 3.01Å
152E78.4Confident81.1Confident137 Ų137105.8 Ų105.864%0.6450%0.502SS*.THydrogen-bonded Turntrans-60.1-21.5178-63.5-173.3168.500112.6E150 A154 R159E150-E152 PolarHBondContact O-N 2.88Å; E152-A154 VanDerWaalsContact C-N 3.34Å; E152-R159 VanDerWaalsContact O-CZ 3.25Å; E152-R159 PolarHBondContact O-NE 2.93Å; E152-R159 PolarHBondContact O-NH2 2.75Å
153N77Confident78.6Confident152 Ų152116.8 Ų116.881%0.81354%0.542SS*.THydrogen-bonded Turntrans-84-9.8175.7-60.1-50.1000113.2N151N151-N153 PolarHBondContact O-N 3.46Å; N151-N153 VanDerWaalsContact O-N 3.14Å; N151-N153 WeakPolarHBondContact OD1-CB 3.12Å; N151-N153 PolarHBondContact OD1-N 2.95Å
154A77.3Confident76Confident17 Ų17122 Ų12214%0.1458%0.575CS.*SBendtrans-67.6143174.800000109.8N151 E152 R159N151-A154 HydrophobicContact CB-CB 4.12Å; N151-A154 VanDerWaalsContact O-CB 3.26Å; N151-A154 WeakPolarHBondContact O-CB 3.44Å; N151-A154 PolarHBondContact O-N 3.01Å; E152-A154 VanDerWaalsContact C-N 3.34Å; A154-R159 HydrophobicContact CB-CG 4.04Å; A154-R159 WeakPolarHBondContact O-CG 3.16Å; A154-R159 PolarHBondContact O-NE 2.83Å
155P82Confident73.1Confident65 Ų65127.9 Ų127.942%0.42261%0.607SS.*  trans-49.4142.7168.2-24.832.7000110.8E157 L158 R159P155-E157 HydrophobicContact CB-CG 4.31Å; P155-E157 WeakPolarHBondContact CB-OE1 3.45Å; P155-E157 WeakPolarHBondContact CB-OE2 3.4Å; P155-E157 PolarHBondContact O-N 3.25Å; P155-E157 VanDerWaalsContact O-N 3.12Å; P155-L158 HydrophobicContact CB-CG 4.5Å; P155-L158 HydrophobicContact CG-CD1 4.18Å; P155-L158 CarbonylContact O-C 3.59Å; P155-L158 WeakPolarHBondContact O-CA 3.49Å; P155-L158 PolarHBondContact O-N 3.05Å; P155-R159 PolarHBondContact O-N 2.74Å
156E80.9Confident72Confident153 Ų153128.9 Ų128.972%0.71561%0.614SS**THydrogen-bonded Turntrans-59.6-30.7-170.1-158.8172.3-155.200112.4L158 R159E156-L158 VanDerWaalsContact C-N 3.3Å; E156-L158 PolarHBondContact O-N 3.28Å; E156-R159 PolarHBondContact O-N 2.84Å
157E82.9Confident70.8Confident154 Ų154133.6 Ų133.672%0.7264%0.638SS**THydrogen-bonded Turntrans-68.9-23.1173.965.3-84.2-16800114.4P155P155-E157 HydrophobicContact CB-CG 4.31Å; P155-E157 WeakPolarHBondContact CB-OE1 3.45Å; P155-E157 WeakPolarHBondContact CB-OE2 3.4Å; P155-E157 PolarHBondContact O-N 3.25Å; P155-E157 VanDerWaalsContact O-N 3.12Å
158L77.4Confident69.8Low127 Ų127133.7 Ų133.767%0.66564%0.644SS**THydrogen-bonded Turntrans-101.4-12.1178.5-62.2-178.6000113P155 E156 K160P155-L158 HydrophobicContact CB-CG 4.5Å; P155-L158 HydrophobicContact CG-CD1 4.18Å; P155-L158 CarbonylContact O-C 3.59Å; P155-L158 WeakPolarHBondContact O-CA 3.49Å; P155-L158 PolarHBondContact O-N 3.05Å; E156-L158 VanDerWaalsContact C-N 3.3Å; E156-L158 PolarHBondContact O-N 3.28Å; L158-K160 PolarHBondContact O-N 3.42Å
159R76.4Confident68.6Low92 Ų92136.8 Ų136.835%0.34764%0.643SS.*SBendtrans-60.9131.1173.2-75.6-175.2-166.51681.6109E150 E152 A154 P155 E156 R161E150-R159 HydrophobicContact CG-CB 4.37Å; E150-R159 VanDerWaalsContact OE1-CB 3.32Å; E150-R159 WeakPolarHBondContact OE1-CB 3.41Å; E152-R159 VanDerWaalsContact O-CZ 3.25Å; E152-R159 PolarHBondContact O-NE 2.93Å; E152-R159 PolarHBondContact O-NH2 2.75Å; A154-R159 HydrophobicContact CB-CG 4.04Å; A154-R159 WeakPolarHBondContact O-CG 3.16Å; A154-R159 PolarHBondContact O-NE 2.83Å; P155-R159 PolarHBondContact O-N 2.74Å; E156-R159 PolarHBondContact O-N 2.84Å; R159-R161 VanDerWaalsContact C-N 3.25Å; R159-R161 PolarHBondContact O-N 3.12Å
160K65.2Low67.5Low152 Ų152140.6 Ų140.666%0.66166%0.661SS**  trans-66.488.7-179-77.7-179.1-178.7170.20107.7E150 L158 K162E150-K160 PolarHBondContact OE1-N 3.11Å; L158-K160 PolarHBondContact O-N 3.42Å; K160-K162 PolarHBondContact O-N 3.48Å
161R55.7Low66.9Low224 Ų224144.8 Ų144.885%0.84568%0.681SS**  trans-42.6110.1171.8-74.6-175178.4-168.9-0.9107.4R159 R163R159-R161 VanDerWaalsContact C-N 3.25Å; R159-R161 PolarHBondContact O-N 3.12Å; R161-R163 PolarHBondContact O-N 3.44Å
162K50.9Low66.1Low172 Ų172148.1 Ų148.175%0.74869%0.692SS**  trans-47.7117.8172-81.1-178.7177.7174.40105.2K160 V164K160-K162 PolarHBondContact O-N 3.48Å; K162-V164 PolarHBondContact O-N 3.05Å
163R45.3Very low65.1Low245 Ų245148.9 Ų148.993%0.92570%0.696SS**  trans-59.495.2163.3-87.2-176.9173.3-177.2-2.4104.1R161 M165R161-R163 PolarHBondContact O-N 3.44Å; R163-M165 VanDerWaalsContact C-N 3.34Å; R163-M165 PolarHBondContact O-N 2.83Å
164V40.8Very low64.1Low137 Ų137148.7 Ų148.783%0.8369%0.686SS**  trans-63.4108.2165.8-178.10000103.4K162K162-V164 PolarHBondContact O-N 3.05Å
165M35.1Very low62.9Low246 Ų246160.6 Ų160.6100%1.21274%0.735SS**  trans-790173.7-149.8-176.695.100108.9R163R163-M165 VanDerWaalsContact C-N 3.34Å; R163-M165 PolarHBondContact O-N 2.83Å

Retrieved 165 of 165 residues in 49.3 ms (Link to these results)

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