A0A146MGC1_SCHMA Loading...

Small nuclear ribonucleoprotein Sm D1 AlphaSync

Plays a role in pre-mRNA splicing as a core component of the spliceosomal U1, U2, U4 and U5 small nuclear ribonucleoproteins (snRNPs), the building blocks of the spliceosome.

AlphaFold DB , UniProt , Accession A0A146MGC1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 125 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
1M65.4Low91.5Very high151 Ų15174.6 Ų74.674%0.74435%0.354SS*.  0115.90-43.3-66.5143.100109.9D82M1-D82 WeakPolarHBondContact CA-OD1 3.2Å; M1-D82 WeakPolarHBondContact CA-OD2 3.42Å; M1-D82 HydrophobicContact CE-CB 3.3Å; M1-D82 WeakPolarHBondContact CE-OD2 3.41Å; M1-D82 PolarHBondContact N-OD2 2.84Å; M1-D82 HydrophobicContact SD-CB 3.41Å; M1-D82 WeakPolarHBondContact SD-CB 3.17Å; M1-D82 PolarHBondContact SD-N 2.85Å
2K86.3Confident91.9Very high155 Ų15578.4 Ų78.467%0.67437%0.371SS*.  trans-95.2124.5167.9-69-172.6177.3-174.80107.3V4 R5K2-V4 PolarHBondContact O-N 3.25Å; K2-R5 HydrophobicContact CB-CG 4.28Å; K2-R5 WeakPolarHBondContact O-CA 3.44Å; K2-R5 WeakPolarHBondContact O-CB 3.31Å; K2-R5 PolarHBondContact O-N 2.83Å
3L91.8Very high92.3Very high118 Ų11877.4 Ų77.462%0.61837%0.366SS*.Hα-helixtrans-42.2-43.7179172.863.4000112.9R5 F6 L7L3-R5 VanDerWaalsContact C-N 3.28Å; L3-R5 PolarHBondContact O-N 2.81Å; L3-F6 WeakPolarHBondContact O-CB 3.49Å; L3-F6 PolarHBondContact O-N 2.82Å; L3-F6 VanDerWaalsContact O-N 3.09Å; L3-L7 HydrophobicContact CD1-CG 4.48Å; L3-L7 HydrophobicContact CG-CD1 4.35Å; L3-L7 PolarHBondContact O-N 3.36Å; L3-L7 VanDerWaalsContact O-N 3.09Å
4V94Very high92.7Very high31 Ų3176.1 Ų76.119%0.18837%0.366CS..Hα-helixtrans-60.4-36.1179.6-171.50000112.6K2 F6 L7 M8 D33 M36K2-V4 PolarHBondContact O-N 3.25Å; V4-F6 VanDerWaalsContact C-N 3.31Å; V4-F6 PolarHBondContact O-N 3.03Å; V4-L7 PolarHBondContact O-N 3.13Å; V4-M8 HydrophobicContact CG1-CG 4.42Å; V4-M8 VanDerWaalsContact O-CG 3.26Å; V4-M8 WeakPolarHBondContact O-CG 3.48Å; V4-M8 PolarHBondContact O-N 2.91Å; V4-D33 WeakPolarHBondContact CG1-O 3.4Å; V4-M36 HydrophobicContact CG1-CG 4.3Å; V4-M36 HydrophobicContact CG2-CG 3.72Å; V4-M36 HydrophobicContact CG2-SD 4.22Å
5R93.4Very high93.1Very high139 Ų13971.3 Ų71.353%0.52534%0.343SS..Hα-helixtrans-64.4-36.4175.8-70.1-176.8174.9-115.9-2112.6K2 L3 M8 K9K2-R5 HydrophobicContact CB-CG 4.28Å; K2-R5 WeakPolarHBondContact O-CA 3.44Å; K2-R5 WeakPolarHBondContact O-CB 3.31Å; K2-R5 PolarHBondContact O-N 2.83Å; L3-R5 VanDerWaalsContact C-N 3.28Å; L3-R5 PolarHBondContact O-N 2.81Å; R5-M8 HydrophobicContact CB-CE 4.16Å; R5-M8 HydrophobicContact CG-CE 3.73Å; R5-K9 WeakPolarHBondContact O-CG 3.35Å
6F95.2Very high93.5Very high27 Ų2768.9 Ų68.912%0.11834%0.335CS..Hα-helixtrans-64.7-48.6172.7165.6-99.8000110.6L3 V4 M8 K9 L10 L70 L74 L76 L79 L80L3-F6 WeakPolarHBondContact O-CB 3.49Å; L3-F6 PolarHBondContact O-N 2.82Å; L3-F6 VanDerWaalsContact O-N 3.09Å; V4-F6 VanDerWaalsContact C-N 3.31Å; V4-F6 PolarHBondContact O-N 3.03Å; F6-M8 VanDerWaalsContact C-N 3.28Å; F6-M8 PolarHBondContact O-N 3.04Å; F6-K9 WeakPolarHBondContact O-CB 3.46Å; F6-K9 PolarHBondContact O-N 2.83Å; F6-L10 HydrophobicContact CE1-CD1 4.11Å; F6-L10 HydrophobicContact CE1-CD2 4.38Å; F6-L10 HydrophobicContact CE2-CD2 4.31Å; F6-L10 HydrophobicContact CZ-CD1 4.49Å; F6-L10 HydrophobicContact CZ-CD2 3.99Å; F6-L70 HydrophobicContact CE1-CD1 3.95Å; F6-L70 HydrophobicContact CZ-CD1 3.81Å; F6-L74 HydrophobicContact CZ-CD2 4.31Å; F6-L76 HydrophobicContact CE2-CD2 4.06Å; F6-L76 HydrophobicContact CZ-CD2 3.84Å; F6-L79 HydrophobicContact CD2-CB 3.95Å; F6-L79 HydrophobicContact CE2-CB 3.69Å; F6-L79 HydrophobicContact CE2-CD1 4.33Å; F6-L80 HydrophobicContact CD2-CD2 3.66Å; F6-L80 HydrophobicContact CD2-CG 4.31Å; F6-L80 HydrophobicContact CE2-CD2 3.93Å; F6-L80 HydrophobicContact CE2-CG 4.31Å; F6-L80 HydrophobicContact CG-CD2 4.15Å
7L96.6Very high93.8Very high6 Ų664.9 Ų64.93%0.03132%0.315CS..Hα-helixtrans-60.3-36.1178.4-63177.8000113L3 V4 K9 L10 V32 M36 F68L3-L7 HydrophobicContact CD1-CG 4.48Å; L3-L7 HydrophobicContact CG-CD1 4.35Å; L3-L7 PolarHBondContact O-N 3.36Å; L3-L7 VanDerWaalsContact O-N 3.09Å; V4-L7 PolarHBondContact O-N 3.13Å; L7-K9 PolarHBondContact O-N 2.8Å; L7-L10 HydrophobicContact CD2-CD1 3.75Å; L7-L10 WeakPolarHBondContact O-CB 3.36Å; L7-L10 PolarHBondContact O-N 3.26Å; L7-L10 VanDerWaalsContact O-N 3.09Å; L7-V32 HydrophobicContact CB-CB 4.44Å; L7-V32 HydrophobicContact CB-CG1 4.06Å; L7-V32 HydrophobicContact CB-CG2 4.35Å; L7-V32 WeakPolarHBondContact O-CG2 3.28Å; L7-M36 HydrophobicContact CD1-CG 4.27Å; L7-M36 HydrophobicContact CD1-SD 4.1Å; L7-F68 HydrophobicContact CD1-CD2 4.31Å; L7-F68 HydrophobicContact CD1-CE2 3.69Å; L7-F68 HydrophobicContact CD1-CZ 4.11Å; L7-F68 HydrophobicContact CD2-CD1 4.46Å; L7-F68 HydrophobicContact CD2-CD2 3.96Å; L7-F68 HydrophobicContact CD2-CE1 4.49Å; L7-F68 HydrophobicContact CD2-CE2 4.01Å; L7-F68 HydrophobicContact CD2-CG 4.21Å; L7-F68 HydrophobicContact CD2-CZ 4.28Å; L7-F68 HydrophobicContact CG-CE2 4.49Å
8M96Very high94Very high70 Ų7062.9 Ų62.935%0.34531%0.305SS..Hα-helixtrans-60.9-27.2174.5-72.6-169.6-67.700113.2V4 R5 F6 L10 S11 V32V4-M8 HydrophobicContact CG1-CG 4.42Å; V4-M8 VanDerWaalsContact O-CG 3.26Å; V4-M8 WeakPolarHBondContact O-CG 3.48Å; V4-M8 PolarHBondContact O-N 2.91Å; R5-M8 HydrophobicContact CB-CE 4.16Å; R5-M8 HydrophobicContact CG-CE 3.73Å; F6-M8 VanDerWaalsContact C-N 3.28Å; F6-M8 PolarHBondContact O-N 3.04Å; M8-L10 VanDerWaalsContact C-N 3.33Å; M8-S11 PolarHBondContact O-OG 2.85Å; M8-V32 HydrophobicContact CG-CB 4.32Å; M8-V32 VanDerWaalsContact CG-O 3.29Å; M8-V32 WeakPolarHBondContact CG-O 3.5Å
9K95.5Very high94.3Very high80 Ų8060.7 Ų60.735%0.34830%0.295SS..Hα-helixtrans-78.6-14.3176.7-63176.4-177.3-1760113.3R5 F6 L7 S11 L79 I81R5-K9 WeakPolarHBondContact O-CG 3.35Å; F6-K9 WeakPolarHBondContact O-CB 3.46Å; F6-K9 PolarHBondContact O-N 2.83Å; L7-K9 PolarHBondContact O-N 2.8Å; K9-S11 PolarHBondContact O-N 2.82Å; K9-L79 HydrophobicContact CB-CD2 4.04Å; K9-L79 HydrophobicContact CD-CD2 4.27Å; K9-L79 WeakPolarHBondContact CD-O 3.42Å; K9-L79 PolarHBondContact NZ-O 2.91Å; K9-I81 PolarHBondContact NZ-O 2.79Å
10L96.5Very high94.5Very high0 Ų063.9 Ų63.90%031%0.307CS..  trans-76.621.7-179-55.5-178.5000113.3F6 L7 M8 H12 E13 I29 L70 L74 L79F6-L10 HydrophobicContact CE1-CD1 4.11Å; F6-L10 HydrophobicContact CE1-CD2 4.38Å; F6-L10 HydrophobicContact CE2-CD2 4.31Å; F6-L10 HydrophobicContact CZ-CD1 4.49Å; F6-L10 HydrophobicContact CZ-CD2 3.99Å; L7-L10 HydrophobicContact CD2-CD1 3.75Å; L7-L10 WeakPolarHBondContact O-CB 3.36Å; L7-L10 PolarHBondContact O-N 3.26Å; L7-L10 VanDerWaalsContact O-N 3.09Å; M8-L10 VanDerWaalsContact C-N 3.33Å; L10-H12 PolarHBondContact O-N 2.83Å; L10-E13 HydrophobicContact CB-CB 4.37Å; L10-E13 HydrophobicContact CB-CG 4.39Å; L10-E13 WeakPolarHBondContact O-CB 3.44Å; L10-E13 PolarHBondContact O-N 2.89Å; L10-I29 HydrophobicContact CB-CD1 3.69Å; L10-I29 HydrophobicContact CD1-CD1 4.31Å; L10-I29 WeakPolarHBondContact O-CB 3.24Å; L10-L70 HydrophobicContact CD1-CD2 3.62Å; L10-L74 HydrophobicContact CD2-CD1 4.18Å; L10-L74 HydrophobicContact CD2-CD2 3.64Å; L10-L74 HydrophobicContact CD2-CG 4.49Å; L10-L79 HydrophobicContact CD2-CD1 3.99Å
11S95.5Very high94.6Very high44 Ų4465.8 Ų65.831%0.30832%0.319SS..THydrogen-bonded Turntrans-62.7136.1178.5-63.60000109.9M8 K9 E13M8-S11 PolarHBondContact O-OG 2.85Å; K9-S11 PolarHBondContact O-N 2.82Å; S11-E13 PolarHBondContact O-N 2.87Å
12H96.4Very high96.1Very high120 Ų12059.7 Ų59.756%0.55630%0.295SS*.THydrogen-bonded Turntrans70.9-5-175.1-46.7-59.1000116.3L10 I29 R41L10-H12 PolarHBondContact O-N 2.83Å; H12-I29 WeakPolarHBondContact CA-O 3.44Å; H12-I29 PolarHBondContact N-O 2.97Å; H12-R41 PolarHBondContact ND1-NH2 3.13Å; H12-R41 VanDerWaalsContact ND1-NH2 3.17Å
13E97.8Very high96.7Very high65 Ų6552.6 Ų52.630%0.30427%0.265SS..  trans-73.5139.5174-62.9-63163.100111L10 S11 V15 S28 I29 L74L10-E13 HydrophobicContact CB-CB 4.37Å; L10-E13 HydrophobicContact CB-CG 4.39Å; L10-E13 WeakPolarHBondContact O-CB 3.44Å; L10-E13 PolarHBondContact O-N 2.89Å; S11-E13 PolarHBondContact O-N 2.87Å; E13-V15 HydrophobicContact CB-CG1 4.43Å; E13-S28 WeakPolarHBondContact O-CA 3.27Å; E13-I29 PolarHBondContact O-N 2.88Å; E13-L74 VanDerWaalsContact CD-CD1 3.44Å; E13-L74 HydrophobicContact CG-CD1 3.69Å
14T98.2Very high97Very high60 Ų6051 Ų5137%0.36825%0.254SS..EExtended strand (participates in β ladder)trans-88121.7173-63.90000109.4G27 S28 P71T14-G27 WeakPolarHBondContact CA-O 3.21Å; T14-S28 PolarHBondContact OG1-OG 3.03Å; T14-P71 WeakPolarHBondContact O-CD 3.46Å
15V98.5Very high97.3Very high3 Ų349.5 Ų49.52%0.01825%0.245CC..EExtended strand (participates in β ladder)trans-132163.7-176.2-570000110.4E13 I17 H26 G27 I29 M40 F68 L70E13-V15 HydrophobicContact CB-CG1 4.43Å; V15-I17 HydrophobicContact CG2-CD1 4.35Å; V15-I17 HydrophobicContact CG2-CG1 3.92Å; V15-H26 WeakPolarHBondContact O-CA 3.21Å; V15-H26 PolarHBondContact O-ND1 2.84Å; V15-G27 PolarHBondContact N-O 3.41Å; V15-G27 PolarHBondContact O-N 2.74Å; V15-G27 VanDerWaalsContact O-N 3.08Å; V15-I29 HydrophobicContact CB-CD1 4.4Å; V15-I29 HydrophobicContact CG1-CD1 3.79Å; V15-I29 HydrophobicContact CG1-CG1 4.42Å; V15-I29 HydrophobicContact CG2-CD1 3.68Å; V15-I29 HydrophobicContact CG2-CG1 3.7Å; V15-M40 HydrophobicContact CG2-CE 4Å; V15-F68 HydrophobicContact CG2-CD1 4.28Å; V15-L70 HydrophobicContact CG1-CD2 4.17Å
16T98.6Very high97.5Very high34 Ų3446.9 Ų46.921%0.20924%0.238CC..EExtended strand (participates in β ladder)trans-111.8128.5163.8-57.30000109.2V25 H26 I69T16-V25 CarbonylContact C-O 3.51Å; T16-V25 WeakPolarHBondContact CA-O 3.47Å; T16-H26 PolarHBondContact OG1-ND1 3Å; T16-I69 HydrophobicContact CG2-CD1 4.16Å; T16-I69 PolarHBondContact N-O 2.84Å; T16-I69 VanDerWaalsContact N-O 3.11Å; T16-I69 WeakPolarHBondContact O-CB 3.28Å; T16-I69 PolarHBondContact O-N 3.03Å
17I98.6Very high97.7Very high0 Ų045.7 Ų45.70%023%0.234CC..EExtended strand (participates in β ladder)trans-110.3128.1177.6-51.3-178.3000108.3V15 L19 Q24 V25 T38 M40 I65 F68V15-I17 HydrophobicContact CG2-CD1 4.35Å; V15-I17 HydrophobicContact CG2-CG1 3.92Å; I17-L19 HydrophobicContact CG2-CD2 3.93Å; I17-Q24 CarbonylContact O-C 3.53Å; I17-Q24 WeakPolarHBondContact O-CA 3.41Å; I17-V25 HydrophobicContact CB-CB 4.32Å; I17-V25 PolarHBondContact N-O 2.74Å; I17-V25 PolarHBondContact O-N 3.02Å; I17-T38 HydrophobicContact CD1-CG2 3.82Å; I17-M40 HydrophobicContact CD1-CE 4.23Å; I17-M40 HydrophobicContact CD1-SD 3.53Å; I17-M40 VanDerWaalsContact CD1-SD 3.53Å; I17-M40 HydrophobicContact CG1-CE 4.48Å; I17-M40 HydrophobicContact CG1-SD 4.28Å; I17-I65 HydrophobicContact CG2-CB 4.35Å; I17-I65 HydrophobicContact CG2-CD1 4.28Å; I17-I65 HydrophobicContact CG2-CG1 4Å; I17-I65 HydrophobicContact CG2-CG2 3.66Å; I17-F68 HydrophobicContact CD1-CD1 4Å; I17-F68 HydrophobicContact CD1-CE1 3.5Å; I17-F68 VanDerWaalsContact CD1-CE1 3.5Å; I17-F68 HydrophobicContact CD1-CZ 4.15Å; I17-F68 HydrophobicContact CG1-CD1 3.8Å; I17-F68 HydrophobicContact CG1-CE1 3.85Å
18E98.5Very high97.8Very high30 Ų3046.4 Ų46.414%0.1424%0.239CC..EExtended strand (participates in β ladder)trans-98.4130.3168.2-168.3173126.300110.3Q24 R66 Y67E18-Q24 HydrophobicContact CG-CG 4.45Å; E18-R66 WeakPolarHBondContact O-CA 3.14Å; E18-R66 VanDerWaalsContact O-CB 3.29Å; E18-R66 WeakPolarHBondContact O-CB 3.5Å; E18-R66 PolarHBondContact O-N 2.82Å; E18-R66 IonicContact OE1-CZ 3.69Å; E18-R66 IonicContact OE1-NH1 2.67Å; E18-R66 PolarHBondContact OE1-NH1 3.02Å; E18-Y67 HydrophobicContact CB-CD2 3.91Å; E18-Y67 HydrophobicContact CB-CE1 4.48Å; E18-Y67 HydrophobicContact CB-CE2 3.4Å; E18-Y67 VanDerWaalsContact CB-CE2 3.4Å; E18-Y67 HydrophobicContact CG-CE2 4.34Å; E18-Y67 PolarHBondContact N-O 2.88Å; E18-Y67 VanDerWaalsContact N-O 3.12Å; E18-Y67 PolarHBondContact O-N 2.95Å; E18-Y67 PolarHBondContact OE1-OH 2.86Å; E18-Y67 VanDerWaalsContact OE2-CZ 3.28Å; E18-Y67 PolarHBondContact OE2-OH 2.8Å
19L98.6Very high97.9Very high21 Ų2143 Ų4311%0.1122%0.223CC..EExtended strand (participates in β ladder)trans-93157.1176.9-51.1-170.4000111I17 N21 G22 T23 V25 V60 N64 I65 R66I17-L19 HydrophobicContact CG2-CD2 3.93Å; L19-N21 WeakPolarHBondContact CB-OD1 3.42Å; L19-N21 PolarHBondContact O-N 3.18Å; L19-N21 VanDerWaalsContact O-N 3.08Å; L19-G22 WeakPolarHBondContact O-CA 3.07Å; L19-G22 PolarHBondContact O-N 3.24Å; L19-T23 HydrophobicContact CD1-CG2 4.05Å; L19-T23 HydrophobicContact CG-CG2 4.49Å; L19-T23 PolarHBondContact N-O 2.84Å; L19-V25 HydrophobicContact CD1-CG2 4.18Å; L19-V25 HydrophobicContact CD2-CG2 4.49Å; L19-V25 HydrophobicContact CG-CG2 4.26Å; L19-V60 HydrophobicContact CD1-CG1 4.37Å; L19-V60 HydrophobicContact CD2-CG1 3.42Å; L19-V60 VanDerWaalsContact CD2-CG1 3.42Å; L19-N64 CarbonylContact C-O 3.56Å; L19-N64 VanDerWaalsContact CA-O 3.28Å; L19-N64 WeakPolarHBondContact CA-O 2.97Å; L19-I65 HydrophobicContact CD2-CG1 4.21Å; L19-R66 PolarHBondContact O-NH1 3.42Å
20K98.6Very high98Very high123 Ų12341.6 Ų41.654%0.53523%0.226SC..THydrogen-bonded Turntrans-56.8-27.8-179.8-71.1176.1179.5176.30114G22 N63 N64 R66K20-G22 VanDerWaalsContact C-N 3.26Å; K20-G22 PolarHBondContact O-N 2.82Å; K20-N63 WeakPolarHBondContact CE-O 3.38Å; K20-N63 PolarHBondContact NZ-O 3.09Å; K20-N64 WeakPolarHBondContact CG-O 3.47Å; K20-N64 PolarHBondContact N-O 3.3Å; K20-R66 PolarHBondContact O-NH2 2.99Å
21N97.1Very high98.1Very high104 Ų10442.3 Ų42.356%0.55623%0.233SC*.THydrogen-bonded Turntrans-82.91.6176.367.7-0.5000113.8L19 T23L19-N21 WeakPolarHBondContact CB-OD1 3.42Å; L19-N21 PolarHBondContact O-N 3.18Å; L19-N21 VanDerWaalsContact O-N 3.08Å; N21-T23 VanDerWaalsContact CG-OG1 3.32Å; N21-T23 PolarHBondContact ND2-OG1 3.08Å; N21-T23 WeakPolarHBondContact OD1-CB 3.3Å; N21-T23 PolarHBondContact OD1-N 3.45Å; N21-T23 PolarHBondContact OD1-OG1 2.73Å
22G97.7Very high98.2Very high24 Ų2441 Ų4125%0.24722%0.224CC..SBendtrans84.85.9-17700000114.5L19 K20L19-G22 WeakPolarHBondContact O-CA 3.07Å; L19-G22 PolarHBondContact O-N 3.24Å; K20-G22 VanDerWaalsContact C-N 3.26Å; K20-G22 PolarHBondContact O-N 2.82Å
23T98.3Very high98.3Very high6 Ų637.7 Ų37.74%0.03721%0.21CC..  trans-70137.1170.4-58.90000109.6L19 N21 V25 L45 T46 L47L19-T23 HydrophobicContact CD1-CG2 4.05Å; L19-T23 HydrophobicContact CG-CG2 4.49Å; L19-T23 PolarHBondContact N-O 2.84Å; N21-T23 VanDerWaalsContact CG-OG1 3.32Å; N21-T23 PolarHBondContact ND2-OG1 3.08Å; N21-T23 WeakPolarHBondContact OD1-CB 3.3Å; N21-T23 PolarHBondContact OD1-N 3.45Å; N21-T23 PolarHBondContact OD1-OG1 2.73Å; T23-V25 HydrophobicContact CG2-CG2 4.37Å; T23-L45 HydrophobicContact CG2-CD1 3.38Å; T23-L45 HydrophobicContact CG2-CG 4.38Å; T23-T46 WeakPolarHBondContact CA-O 3.44Å; T23-L47 HydrophobicContact CG2-CD2 3.87Å
24Q98.4Very high98.2Very high84 Ų8440.3 Ų40.339%0.39323%0.23SC..EExtended strand (participates in β ladder)trans-107.3138.9172.9-66.5-177.5-15.800110.1I17 E18 T46I17-Q24 CarbonylContact O-C 3.53Å; I17-Q24 WeakPolarHBondContact O-CA 3.41Å; E18-Q24 HydrophobicContact CG-CG 4.45Å; Q24-T46 PolarHBondContact N-O 2.98Å; Q24-T46 PolarHBondContact O-N 3.43Å
25V98.7Very high98.1Very high0 Ų041.2 Ų41.20%024%0.238CC..EExtended strand (participates in β ladder)trans-126.8109.7179.5-173.30000107.7T16 I17 L19 T23 M40 V43 L45 L58 V60T16-V25 CarbonylContact C-O 3.51Å; T16-V25 WeakPolarHBondContact CA-O 3.47Å; I17-V25 HydrophobicContact CB-CB 4.32Å; I17-V25 PolarHBondContact N-O 2.74Å; I17-V25 PolarHBondContact O-N 3.02Å; L19-V25 HydrophobicContact CD1-CG2 4.18Å; L19-V25 HydrophobicContact CD2-CG2 4.49Å; L19-V25 HydrophobicContact CG-CG2 4.26Å; T23-V25 HydrophobicContact CG2-CG2 4.37Å; V25-M40 HydrophobicContact CB-SD 4.43Å; V25-M40 HydrophobicContact CG1-CE 4.14Å; V25-M40 HydrophobicContact CG1-SD 3.53Å; V25-M40 VanDerWaalsContact CG1-SD 3.53Å; V25-V43 HydrophobicContact CG1-CG1 3.49Å; V25-V43 VanDerWaalsContact CG1-CG1 3.49Å; V25-L45 HydrophobicContact CG2-CD1 3.79Å; V25-L58 HydrophobicContact CG1-CD2 3.66Å; V25-L58 HydrophobicContact CG2-CD2 4.17Å; V25-V60 HydrophobicContact CG1-CG2 4.36Å; V25-V60 HydrophobicContact CG2-CG2 4.14Å
26H98.7Very high98.1Very high83 Ų8343.9 Ų43.938%0.38425%0.251SS..EExtended strand (participates in β ladder)trans-103.8136.8174-178.473.9000109.5V15 T16 V43 T44V15-H26 WeakPolarHBondContact O-CA 3.21Å; V15-H26 PolarHBondContact O-ND1 2.84Å; T16-H26 PolarHBondContact OG1-ND1 3Å; H26-V43 CarbonylContact O-C 3.52Å; H26-V43 VanDerWaalsContact O-CA 3.28Å; H26-V43 WeakPolarHBondContact O-CA 3.49Å; H26-T44 PolarHBondContact N-O 2.76Å; H26-T44 PolarHBondContact O-N 3.17Å
27G98.5Very high98.1Very high2 Ų244 Ų442%0.02125%0.251CS..EExtended strand (participates in β ladder)trans163.3-177.5175.400000113T14 V15 M40 S42T14-G27 WeakPolarHBondContact CA-O 3.21Å; V15-G27 PolarHBondContact N-O 3.41Å; V15-G27 PolarHBondContact O-N 2.74Å; V15-G27 VanDerWaalsContact O-N 3.08Å; G27-M40 VanDerWaalsContact O-CE 3.27Å; G27-M40 WeakPolarHBondContact O-CE 3.39Å; G27-S42 WeakPolarHBondContact CA-O 3.36Å
28S98.5Very high98.1Very high21 Ų2144 Ų4415%0.14725%0.251CS..EExtended strand (participates in β ladder)trans-88.8132.4179.3-53.10000111.3E13 T14 A30 M40 R41E13-S28 WeakPolarHBondContact O-CA 3.27Å; T14-S28 PolarHBondContact OG1-OG 3.03Å; S28-A30 PolarHBondContact O-N 3.08Å; S28-M40 CarbonylContact O-C 3.53Å; S28-M40 WeakPolarHBondContact O-CA 3.37Å; S28-R41 PolarHBondContact N-O 3.14Å; S28-R41 PolarHBondContact O-N 2.81Å
29I98.6Very high98.1Very high0 Ų046.1 Ų46.10%026%0.261CS..EExtended strand (participates in β ladder)trans-69.1127.5174.9-63.6171.6000109.1L10 H12 E13 V15 V32 T38 F68L10-I29 HydrophobicContact CB-CD1 3.69Å; L10-I29 HydrophobicContact CD1-CD1 4.31Å; L10-I29 WeakPolarHBondContact O-CB 3.24Å; H12-I29 WeakPolarHBondContact CA-O 3.44Å; H12-I29 PolarHBondContact N-O 2.97Å; E13-I29 PolarHBondContact O-N 2.88Å; V15-I29 HydrophobicContact CB-CD1 4.4Å; V15-I29 HydrophobicContact CG1-CD1 3.79Å; V15-I29 HydrophobicContact CG1-CG1 4.42Å; V15-I29 HydrophobicContact CG2-CD1 3.68Å; V15-I29 HydrophobicContact CG2-CG1 3.7Å; I29-V32 HydrophobicContact CG2-CG2 3.93Å; I29-T38 HydrophobicContact CG1-CG2 4.14Å; I29-T38 HydrophobicContact CG2-CG2 4.34Å; I29-F68 HydrophobicContact CD1-CE1 4.42Å
30A98.5Very high98.1Very high50 Ų5045.3 Ų45.341%0.41326%0.256SS..EExtended strand (participates in β ladder)trans-89-31.7167.800000111.7S28 H39S28-A30 PolarHBondContact O-N 3.08Å; A30-H39 HydrophobicContact CB-CB 4.21Å; A30-H39 PolarHBondContact N-O 3.48Å
31G98.3Very high98.1Very high15 Ų1544.8 Ų44.816%0.15525%0.251CS..EExtended strand (participates in β ladder)trans177160.9174.500000112H39G31-H39 PolarHBondContact N-O 3.12Å; G31-H39 PolarHBondContact O-N 3.36Å
32V98.2Very high98.1Very high17 Ų1744.1 Ų44.110%0.10325%0.254CS..EExtended strand (participates in β ladder)trans-125.7140.4175.1-175.60000108.3L7 M8 I29 N37 T38L7-V32 HydrophobicContact CB-CB 4.44Å; L7-V32 HydrophobicContact CB-CG1 4.06Å; L7-V32 HydrophobicContact CB-CG2 4.35Å; L7-V32 WeakPolarHBondContact O-CG2 3.28Å; M8-V32 HydrophobicContact CG-CB 4.32Å; M8-V32 VanDerWaalsContact CG-O 3.29Å; M8-V32 WeakPolarHBondContact CG-O 3.5Å; I29-V32 HydrophobicContact CG2-CG2 3.93Å; V32-N37 WeakPolarHBondContact CA-O 3.28Å; V32-T38 HydrophobicContact CG2-CG2 4.03Å
33D97Very high98.2Very high50 Ų5043 Ų4327%0.26724%0.243SC..  trans-100.7177.8175.77814.6000113.3V4 S35 M36 N37V4-D33 WeakPolarHBondContact CG1-O 3.4Å; D33-S35 PolarHBondContact O-N 3.28Å; D33-S35 VanDerWaalsContact OD1-CA 3.28Å; D33-S35 WeakPolarHBondContact OD1-CA 3.34Å; D33-S35 WeakPolarHBondContact OD1-CB 3.46Å; D33-S35 PolarHBondContact OD1-N 2.97Å; D33-M36 WeakPolarHBondContact O-CA 3.31Å; D33-M36 PolarHBondContact O-N 2.84Å; D33-M36 PolarHBondContact OD1-N 2.76Å; D33-M36 VanDerWaalsContact OD1-N 3.14Å; D33-N37 PolarHBondContact N-O 2.92Å; D33-N37 WeakPolarHBondContact OD1-CB 3.38Å; D33-N37 PolarHBondContact OD1-N 3.29Å; D33-N37 PolarHBondContact OD1-ND2 3.17Å; D33-N37 VanDerWaalsContact OD2-CB 3.31Å; D33-N37 WeakPolarHBondContact OD2-CB 3.09Å; D33-N37 PolarHBondContact OD2-ND2 2.73Å
34V96Very high98.2Very high119 Ų11944.8 Ų44.872%0.72125%0.254SS*.THydrogen-bonded Turntrans-60.1-27-179.3179.60000112.8M36V34-M36 VanDerWaalsContact C-N 3.26Å
35S96.9Very high98.2Very high79 Ų7942 Ų4255%0.55224%0.242SC*.THydrogen-bonded Turntrans-899.1177.5-60.70000112.8D33 N37 G62D33-S35 PolarHBondContact O-N 3.28Å; D33-S35 VanDerWaalsContact OD1-CA 3.28Å; D33-S35 WeakPolarHBondContact OD1-CA 3.34Å; D33-S35 WeakPolarHBondContact OD1-CB 3.46Å; D33-S35 PolarHBondContact OD1-N 2.97Å; S35-N37 PolarHBondContact O-N 2.84Å; S35-G62 WeakPolarHBondContact O-CA 3.45Å
36M97.4Very high98.2Very high59 Ų5944.3 Ų44.329%0.29126%0.256SS..  trans61.118.1-171.9-53.6-176.8-63.700113.8V4 L7 D33 V34 T38 G62 I65V4-M36 HydrophobicContact CG1-CG 4.3Å; V4-M36 HydrophobicContact CG2-CG 3.72Å; V4-M36 HydrophobicContact CG2-SD 4.22Å; L7-M36 HydrophobicContact CD1-CG 4.27Å; L7-M36 HydrophobicContact CD1-SD 4.1Å; D33-M36 WeakPolarHBondContact O-CA 3.31Å; D33-M36 PolarHBondContact O-N 2.84Å; D33-M36 PolarHBondContact OD1-N 2.76Å; D33-M36 VanDerWaalsContact OD1-N 3.14Å; V34-M36 VanDerWaalsContact C-N 3.26Å; M36-T38 PolarHBondContact O-N 2.81Å; M36-T38 PolarHBondContact O-OG1 3.23Å; M36-G62 VanDerWaalsContact C-CA 3.41Å; M36-G62 WeakPolarHBondContact O-CA 3.47Å; M36-I65 WeakPolarHBondContact O-CD1 3.29Å
37N98.1Very high98.1Very high36 Ų3642.7 Ų42.719%0.19325%0.25CC..  trans-63.9127.6168.2-53.7-46.4000107.3V32 D33 S35 V60 R61 G62V32-N37 WeakPolarHBondContact CA-O 3.28Å; D33-N37 PolarHBondContact N-O 2.92Å; D33-N37 WeakPolarHBondContact OD1-CB 3.38Å; D33-N37 PolarHBondContact OD1-N 3.29Å; D33-N37 PolarHBondContact OD1-ND2 3.17Å; D33-N37 VanDerWaalsContact OD2-CB 3.31Å; D33-N37 WeakPolarHBondContact OD2-CB 3.09Å; D33-N37 PolarHBondContact OD2-ND2 2.73Å; S35-N37 PolarHBondContact O-N 2.84Å; N37-V60 CarbonylContact C-O 3.59Å; N37-V60 VanDerWaalsContact CA-O 3.24Å; N37-V60 WeakPolarHBondContact CA-O 3.47Å; N37-R61 VanDerWaalsContact OD1-CA 3.3Å; N37-R61 WeakPolarHBondContact OD1-CA 3.48Å; N37-R61 WeakPolarHBondContact OD1-CG 3.21Å; N37-G62 PolarHBondContact OD1-N 3.46Å
38T98.8Very high97.9Very high0 Ų049 Ų490%028%0.277CS..EExtended strand (participates in β ladder)trans-114.5117.4-172.5-57.80000108.3I17 I29 V32 M36 M40 T59 V60 F68I17-T38 HydrophobicContact CD1-CG2 3.82Å; I29-T38 HydrophobicContact CG1-CG2 4.14Å; I29-T38 HydrophobicContact CG2-CG2 4.34Å; V32-T38 HydrophobicContact CG2-CG2 4.03Å; M36-T38 PolarHBondContact O-N 2.81Å; M36-T38 PolarHBondContact O-OG1 3.23Å; T38-M40 HydrophobicContact CG2-CG 3.83Å; T38-M40 HydrophobicContact CG2-SD 4.34Å; T38-T59 WeakPolarHBondContact O-CA 3.2Å; T38-V60 PolarHBondContact N-O 2.98Å; T38-V60 PolarHBondContact O-N 2.67Å; T38-F68 HydrophobicContact CG2-CE1 4.34Å
39H98.7Very high97.7Very high76 Ų7655.4 Ų55.435%0.35231%0.309SS..EExtended strand (participates in β ladder)trans-90130.2173.4-55.5-75.5000107.7A30 G31 T59A30-H39 HydrophobicContact CB-CB 4.21Å; A30-H39 PolarHBondContact N-O 3.48Å; G31-H39 PolarHBondContact N-O 3.12Å; G31-H39 PolarHBondContact O-N 3.36Å; H39-T59 VanDerWaalsContact CE1-CG2 3.48Å; H39-T59 WeakPolarHBondContact CE1-CG2 3.33Å; H39-T59 VanDerWaalsContact ND1-CG2 3.35Å; H39-T59 WeakPolarHBondContact ND1-CG2 3.44Å; H39-T59 PolarHBondContact ND1-OG1 3.26Å
40M98.7Very high97.5Very high4 Ų463.9 Ų63.92%0.0234%0.341CS..EExtended strand (participates in β ladder)trans-130.6154.4-176.4-58.1-178.274.200110.9V15 I17 V25 G27 S28 T38 V43 T57 L58V15-M40 HydrophobicContact CG2-CE 4Å; I17-M40 HydrophobicContact CD1-CE 4.23Å; I17-M40 HydrophobicContact CD1-SD 3.53Å; I17-M40 VanDerWaalsContact CD1-SD 3.53Å; I17-M40 HydrophobicContact CG1-CE 4.48Å; I17-M40 HydrophobicContact CG1-SD 4.28Å; V25-M40 HydrophobicContact CB-SD 4.43Å; V25-M40 HydrophobicContact CG1-CE 4.14Å; V25-M40 HydrophobicContact CG1-SD 3.53Å; V25-M40 VanDerWaalsContact CG1-SD 3.53Å; G27-M40 VanDerWaalsContact O-CE 3.27Å; G27-M40 WeakPolarHBondContact O-CE 3.39Å; S28-M40 CarbonylContact O-C 3.53Å; S28-M40 WeakPolarHBondContact O-CA 3.37Å; T38-M40 HydrophobicContact CG2-CG 3.83Å; T38-M40 HydrophobicContact CG2-SD 4.34Å; M40-V43 HydrophobicContact CB-CG2 3.5Å; M40-T57 WeakPolarHBondContact O-CA 3.26Å; M40-L58 PolarHBondContact N-O 3.16Å; M40-L58 PolarHBondContact O-N 2.56Å
41R98.5Very high97.4Very high111 Ų11168.4 Ų68.442%0.41936%0.358SS..EExtended strand (participates in β ladder)trans-126.8155.417565.7179.9-178.2-177.1-0.1110.4H12 S28 D56H12-R41 PolarHBondContact ND1-NH2 3.13Å; H12-R41 VanDerWaalsContact ND1-NH2 3.17Å; S28-R41 PolarHBondContact N-O 3.14Å; S28-R41 PolarHBondContact O-N 2.81Å; R41-D56 CarbonylContact C-O 3.59Å; R41-D56 VanDerWaalsContact CA-O 3.31Å; R41-D56 WeakPolarHBondContact CA-O 3.29Å
42S98.3Very high97.4Very high90 Ų9070.5 Ų70.563%0.62937%0.374SS*.EExtended strand (participates in β ladder)trans5261.6-178.9-54.90000111.1G27 D56G27-S42 WeakPolarHBondContact CA-O 3.36Å; S42-D56 PolarHBondContact N-O 3.17Å
43V98.7Very high97.4Very high1 Ų173.5 Ų73.51%0.00639%0.389CS..EExtended strand (participates in β ladder)trans-101.5132-165179.80000111V25 H26 M40 N54 L55 L58V25-V43 HydrophobicContact CG1-CG1 3.49Å; V25-V43 VanDerWaalsContact CG1-CG1 3.49Å; H26-V43 CarbonylContact O-C 3.52Å; H26-V43 VanDerWaalsContact O-CA 3.28Å; H26-V43 WeakPolarHBondContact O-CA 3.49Å; M40-V43 HydrophobicContact CB-CG2 3.5Å; V43-N54 CarbonylContact O-C 3.51Å; V43-N54 WeakPolarHBondContact O-CA 3.49Å; V43-L55 HydrophobicContact CB-CB 4.37Å; V43-L55 PolarHBondContact N-O 2.94Å; V43-L55 PolarHBondContact O-N 2.74Å; V43-L58 HydrophobicContact CB-CB 4.3Å; V43-L58 HydrophobicContact CG1-CB 4.08Å; V43-L58 HydrophobicContact CG1-CD2 3.91Å; V43-L58 HydrophobicContact CG2-CB 4Å
44T98.6Very high97.5Very high43 Ų4377.1 Ų77.126%0.26441%0.408SS..EExtended strand (participates in β ladder)trans-104.2112.1164.2-56.70000108.5H26 A52 N54H26-T44 PolarHBondContact N-O 2.76Å; H26-T44 PolarHBondContact O-N 3.17Å; T44-A52 HydrophobicContact CG2-CB 3.73Å; T44-N54 PolarHBondContact OG1-OD1 3.11Å
45L98.6Very high97.6Very high26 Ų2674.2 Ų74.214%0.13639%0.388CS..EExtended strand (participates in β ladder)trans-99.6117.5179.9177.270.4000109.9T23 V25 L47 A52 I53 L55 L58T23-L45 HydrophobicContact CG2-CD1 3.38Å; T23-L45 HydrophobicContact CG2-CG 4.38Å; V25-L45 HydrophobicContact CG2-CD1 3.79Å; L45-L47 HydrophobicContact CD2-CD2 4.32Å; L45-L47 HydrophobicContact CG-CD2 4.42Å; L45-A52 CarbonylContact O-C 3.59Å; L45-A52 WeakPolarHBondContact O-CA 3.39Å; L45-I53 PolarHBondContact N-O 3.26Å; L45-I53 PolarHBondContact O-N 3.09Å; L45-L55 HydrophobicContact CB-CD1 4.25Å; L45-L55 HydrophobicContact CD2-CD1 4.08Å; L45-L58 HydrophobicContact CD1-CD2 4.17Å
46T98.3Very high97.7Very high49 Ų4977.4 Ų77.430%0.30140%0.399SS..EExtended strand (participates in β ladder)trans-112102.3175.6-54.30000109.1T23 Q24T23-T46 WeakPolarHBondContact CA-O 3.44Å; Q24-T46 PolarHBondContact N-O 2.98Å; Q24-T46 PolarHBondContact O-N 3.43Å
47L97Very high97.7Very high48 Ų4879.7 Ų79.725%0.25142%0.416SS..  trans-69.6149.9173.1-61.1173.9000109.4T23 L45 N49 R50T23-L47 HydrophobicContact CG2-CD2 3.87Å; L45-L47 HydrophobicContact CD2-CD2 4.32Å; L45-L47 HydrophobicContact CG-CD2 4.42Å; L47-N49 PolarHBondContact O-N 3.18Å; L47-N49 VanDerWaalsContact O-N 3.13Å; L47-R50 HydrophobicContact CB-CB 4.06Å; L47-R50 HydrophobicContact CB-CG 4.25Å; L47-R50 PolarHBondContact O-N 3.27Å
48K94.4Very high97.7Very high136 Ų13680 Ų8059%0.59142%0.418SS*.THydrogen-bonded Turntrans-53.9123.2179.1-174.5179.3-179.4-179.20110.5R50K48-R50 VanDerWaalsContact C-N 3.26Å; K48-R50 PolarHBondContact O-N 3.34Å
49N93.7Very high97.7Very high155 Ų15584 Ų8483%0.82944%0.442SS*.THydrogen-bonded Turntrans5930.9179.6-50.2-24.8000114.2L47L47-N49 PolarHBondContact O-N 3.18Å; L47-N49 VanDerWaalsContact O-N 3.13Å
50R95.7Very high97.7Very high177 Ų17780.7 Ų80.767%0.66843%0.428SS*.SBendtrans-133.8164.2173.7-58.5-174.6177.5-175.5-2.3110.3L47 K48L47-R50 HydrophobicContact CB-CB 4.06Å; L47-R50 HydrophobicContact CB-CG 4.25Å; L47-R50 PolarHBondContact O-N 3.27Å; K48-R50 VanDerWaalsContact C-N 3.26Å; K48-R50 PolarHBondContact O-N 3.34Å
51D96.8Very high97.7Very high146 Ų14688 Ų8878%0.78146%0.455SS*.  trans-66.5157.5175.4-60-41.5000112.2
52A97.9Very high97.7Very high59 Ų5982.8 Ų82.849%0.48844%0.436SS..EExtended strand (participates in β ladder)trans-71.8140.417900000111.7T44 L45T44-A52 HydrophobicContact CG2-CB 3.73Å; L45-A52 CarbonylContact O-C 3.59Å; L45-A52 WeakPolarHBondContact O-CA 3.39Å
53I98.1Very high97.7Very high79 Ų7982 Ų8241%0.40543%0.425SS..EExtended strand (participates in β ladder)trans-117.8128.8177.7-56.5172.1000108.2L45 L55L45-I53 PolarHBondContact N-O 3.26Å; L45-I53 PolarHBondContact O-N 3.09Å; I53-L55 HydrophobicContact CG2-CD2 4.09Å; I53-L55 HydrophobicContact CG2-CG 4.36Å
54N98.5Very high97.7Very high126 Ų12685.4 Ų85.467%0.67444%0.443SS*.EExtended strand (participates in β ladder)trans-89.1134.4174.9-65.5-33.8000110.5V43 T44V43-N54 CarbonylContact O-C 3.51Å; V43-N54 WeakPolarHBondContact O-CA 3.49Å; T44-N54 PolarHBondContact OG1-OD1 3.11Å
55L98.3Very high97.7Very high59 Ų5984.3 Ų84.331%0.30944%0.435SS..EExtended strand (participates in β ladder)trans-134.4139.9179.4-58.5172.9000109.2V43 L45 I53 L58V43-L55 HydrophobicContact CB-CB 4.37Å; V43-L55 PolarHBondContact N-O 2.94Å; V43-L55 PolarHBondContact O-N 2.74Å; L45-L55 HydrophobicContact CB-CD1 4.25Å; L45-L55 HydrophobicContact CD2-CD1 4.08Å; I53-L55 HydrophobicContact CG2-CD2 4.09Å; I53-L55 HydrophobicContact CG2-CG 4.36Å; L55-L58 HydrophobicContact CD1-CB 4.46Å; L55-L58 HydrophobicContact CD1-CD1 4.11Å
56D98.3Very high97.7Very high145 Ų14588.6 Ų88.678%0.77545%0.45SS*.EExtended strand (participates in β ladder)trans-67.3-40.3176.1-64.7-31.1000111.6R41 S42R41-D56 CarbonylContact C-O 3.59Å; R41-D56 VanDerWaalsContact CA-O 3.31Å; R41-D56 WeakPolarHBondContact CA-O 3.29Å; S42-D56 PolarHBondContact N-O 3.17Å
57T98.4Very high97.7Very high107 Ų10791.2 Ų91.266%0.65646%0.455SS*.EExtended strand (participates in β ladder)trans-141.3147.5179.365.40000111.1M40M40-T57 WeakPolarHBondContact O-CA 3.26Å
58L98.5Very high97.7Very high43 Ų4390.7 Ų90.723%0.22545%0.451CS..EExtended strand (participates in β ladder)trans-145.9142.7173-177.466.5000109.4V25 M40 V43 L45 L55 V60V25-L58 HydrophobicContact CG1-CD2 3.66Å; V25-L58 HydrophobicContact CG2-CD2 4.17Å; M40-L58 PolarHBondContact N-O 3.16Å; M40-L58 PolarHBondContact O-N 2.56Å; V43-L58 HydrophobicContact CB-CB 4.3Å; V43-L58 HydrophobicContact CG1-CB 4.08Å; V43-L58 HydrophobicContact CG1-CD2 3.91Å; V43-L58 HydrophobicContact CG2-CB 4Å; L45-L58 HydrophobicContact CD1-CD2 4.17Å; L55-L58 HydrophobicContact CD1-CB 4.46Å; L55-L58 HydrophobicContact CD1-CD1 4.11Å; L58-V60 HydrophobicContact CD2-CG2 4.05Å; L58-V60 HydrophobicContact CG-CG2 4.32Å
59T98.4Very high97.9Very high83 Ų8388.3 Ų88.351%0.50944%0.443SS..EExtended strand (participates in β ladder)trans-114.7122.8167.6-61.80000109.5T38 H39T38-T59 WeakPolarHBondContact O-CA 3.2Å; H39-T59 VanDerWaalsContact CE1-CG2 3.48Å; H39-T59 WeakPolarHBondContact CE1-CG2 3.33Å; H39-T59 VanDerWaalsContact ND1-CG2 3.35Å; H39-T59 WeakPolarHBondContact ND1-CG2 3.44Å; H39-T59 PolarHBondContact ND1-OG1 3.26Å
60V98.5Very high98.1Very high8 Ų883.5 Ų83.55%0.04842%0.417CS..EExtended strand (participates in β ladder)trans-99.6128.4176.31780000108.8L19 V25 N37 T38 L58 I65L19-V60 HydrophobicContact CD1-CG1 4.37Å; L19-V60 HydrophobicContact CD2-CG1 3.42Å; L19-V60 VanDerWaalsContact CD2-CG1 3.42Å; V25-V60 HydrophobicContact CG1-CG2 4.36Å; V25-V60 HydrophobicContact CG2-CG2 4.14Å; N37-V60 CarbonylContact C-O 3.59Å; N37-V60 VanDerWaalsContact CA-O 3.24Å; N37-V60 WeakPolarHBondContact CA-O 3.47Å; T38-V60 PolarHBondContact N-O 2.98Å; T38-V60 PolarHBondContact O-N 2.67Å; L58-V60 HydrophobicContact CD2-CG2 4.05Å; L58-V60 HydrophobicContact CG-CG2 4.32Å; V60-I65 HydrophobicContact CG1-CD1 4.07Å; V60-I65 HydrophobicContact CG1-CG1 3.67Å
61R98.6Very high98.1Very high157 Ų15776.9 Ų76.959%0.59240%0.397SS*.  trans-71.5129.2174.3-163.9-174.6166.7-176.3-3.8110.5N37 N63 N64N37-R61 VanDerWaalsContact OD1-CA 3.3Å; N37-R61 WeakPolarHBondContact OD1-CA 3.48Å; N37-R61 WeakPolarHBondContact OD1-CG 3.21Å; R61-N63 VanDerWaalsContact C-N 3.32Å; R61-N63 WeakPolarHBondContact CD-OD1 3.37Å; R61-N63 WeakPolarHBondContact CG-OD1 3.48Å; R61-N63 PolarHBondContact NE-OD1 2.9Å; R61-N63 PolarHBondContact O-N 3.3Å; R61-N64 WeakPolarHBondContact O-CB 3.48Å; R61-N64 PolarHBondContact O-N 3.44Å
62G98.4Very high98.1Very high2 Ų279.8 Ų79.82%0.02141%0.406CS..G310 helixtrans-61.9-33.9-170.200000115S35 M36 N37 N64 I65S35-G62 WeakPolarHBondContact O-CA 3.45Å; M36-G62 VanDerWaalsContact C-CA 3.41Å; M36-G62 WeakPolarHBondContact O-CA 3.47Å; N37-G62 PolarHBondContact OD1-N 3.46Å; G62-N64 PolarHBondContact O-N 3.09Å; G62-I65 WeakPolarHBondContact O-CB 3.35Å; G62-I65 PolarHBondContact O-N 3.25Å; G62-I65 VanDerWaalsContact O-N 3.13Å
63N98Very high97.9Very high72 Ų7282.1 Ų82.139%0.38542%0.419SS..G310 helixtrans-68.3-13.117774.8-42000113.9K20 R61K20-N63 WeakPolarHBondContact CE-O 3.38Å; K20-N63 PolarHBondContact NZ-O 3.09Å; R61-N63 VanDerWaalsContact C-N 3.32Å; R61-N63 WeakPolarHBondContact CD-OD1 3.37Å; R61-N63 WeakPolarHBondContact CG-OD1 3.48Å; R61-N63 PolarHBondContact NE-OD1 2.9Å; R61-N63 PolarHBondContact O-N 3.3Å
64N98.3Very high97.8Very high73 Ų7379 Ų7939%0.3940%0.403SS..G310 helixtrans-92.5-9.5175.9-67-28.5000112.6L19 K20 R61 G62L19-N64 CarbonylContact C-O 3.56Å; L19-N64 VanDerWaalsContact CA-O 3.28Å; L19-N64 WeakPolarHBondContact CA-O 2.97Å; K20-N64 WeakPolarHBondContact CG-O 3.47Å; K20-N64 PolarHBondContact N-O 3.3Å; R61-N64 WeakPolarHBondContact O-CB 3.48Å; R61-N64 PolarHBondContact O-N 3.44Å; G62-N64 PolarHBondContact O-N 3.09Å
65I98.5Very high97.6Very high21 Ų2176.3 Ų76.311%0.10839%0.393CS..EExtended strand (participates in β ladder)trans-75.1136179.8-59.7177.9000109.5I17 L19 M36 V60 G62 F68I17-I65 HydrophobicContact CG2-CB 4.35Å; I17-I65 HydrophobicContact CG2-CD1 4.28Å; I17-I65 HydrophobicContact CG2-CG1 4Å; I17-I65 HydrophobicContact CG2-CG2 3.66Å; L19-I65 HydrophobicContact CD2-CG1 4.21Å; M36-I65 WeakPolarHBondContact O-CD1 3.29Å; V60-I65 HydrophobicContact CG1-CD1 4.07Å; V60-I65 HydrophobicContact CG1-CG1 3.67Å; G62-I65 WeakPolarHBondContact O-CB 3.35Å; G62-I65 PolarHBondContact O-N 3.25Å; G62-I65 VanDerWaalsContact O-N 3.13Å; I65-F68 HydrophobicContact CD1-CE2 4.03Å; I65-F68 HydrophobicContact CD1-CZ 3.76Å; I65-F68 HydrophobicContact CG2-CD2 4.14Å; I65-F68 HydrophobicContact CG2-CE2 3.78Å; I65-F68 HydrophobicContact CG2-CZ 4.43Å
66R98.4Very high97.4Very high116 Ų11677.1 Ų77.144%0.43840%0.397SS..EExtended strand (participates in β ladder)trans-93.6-55.2170-177-176.6-79.9121.36.2110.2E18 L19 K20E18-R66 WeakPolarHBondContact O-CA 3.14Å; E18-R66 VanDerWaalsContact O-CB 3.29Å; E18-R66 WeakPolarHBondContact O-CB 3.5Å; E18-R66 PolarHBondContact O-N 2.82Å; E18-R66 IonicContact OE1-CZ 3.69Å; E18-R66 IonicContact OE1-NH1 2.67Å; E18-R66 PolarHBondContact OE1-NH1 3.02Å; L19-R66 PolarHBondContact O-NH1 3.42Å; K20-R66 PolarHBondContact O-NH2 2.99Å
67Y98.4Very high97Very high104 Ų10477 Ų7741%0.40840%0.396SS..EExtended strand (participates in β ladder)trans-157.4165.4175.950.1-113.3000112.1E18 I69E18-Y67 HydrophobicContact CB-CD2 3.91Å; E18-Y67 HydrophobicContact CB-CE1 4.48Å; E18-Y67 HydrophobicContact CB-CE2 3.4Å; E18-Y67 VanDerWaalsContact CB-CE2 3.4Å; E18-Y67 HydrophobicContact CG-CE2 4.34Å; E18-Y67 PolarHBondContact N-O 2.88Å; E18-Y67 VanDerWaalsContact N-O 3.12Å; E18-Y67 PolarHBondContact O-N 2.95Å; E18-Y67 PolarHBondContact OE1-OH 2.86Å; E18-Y67 VanDerWaalsContact OE2-CZ 3.28Å; E18-Y67 PolarHBondContact OE2-OH 2.8Å; Y67-I69 HydrophobicContact CD2-CG1 4.08Å; Y67-I69 HydrophobicContact CE2-CD1 4.18Å; Y67-I69 HydrophobicContact CE2-CG1 3.99Å
68F98.3Very high96.7Very high37 Ų3776.6 Ų76.616%0.16239%0.394CS..EExtended strand (participates in β ladder)trans-104133.5168.4-68.1-104.3000108.9L7 V15 I17 I29 T38 I65 L70L7-F68 HydrophobicContact CD1-CD2 4.31Å; L7-F68 HydrophobicContact CD1-CE2 3.69Å; L7-F68 HydrophobicContact CD1-CZ 4.11Å; L7-F68 HydrophobicContact CD2-CD1 4.46Å; L7-F68 HydrophobicContact CD2-CD2 3.96Å; L7-F68 HydrophobicContact CD2-CE1 4.49Å; L7-F68 HydrophobicContact CD2-CE2 4.01Å; L7-F68 HydrophobicContact CD2-CG 4.21Å; L7-F68 HydrophobicContact CD2-CZ 4.28Å; L7-F68 HydrophobicContact CG-CE2 4.49Å; V15-F68 HydrophobicContact CG2-CD1 4.28Å; I17-F68 HydrophobicContact CD1-CD1 4Å; I17-F68 HydrophobicContact CD1-CE1 3.5Å; I17-F68 VanDerWaalsContact CD1-CE1 3.5Å; I17-F68 HydrophobicContact CD1-CZ 4.15Å; I17-F68 HydrophobicContact CG1-CD1 3.8Å; I17-F68 HydrophobicContact CG1-CE1 3.85Å; I29-F68 HydrophobicContact CD1-CE1 4.42Å; T38-F68 HydrophobicContact CG2-CE1 4.34Å; I65-F68 HydrophobicContact CD1-CE2 4.03Å; I65-F68 HydrophobicContact CD1-CZ 3.76Å; I65-F68 HydrophobicContact CG2-CD2 4.14Å; I65-F68 HydrophobicContact CG2-CE2 3.78Å; I65-F68 HydrophobicContact CG2-CZ 4.43Å; F68-L70 HydrophobicContact CB-CD2 3.98Å
69I98.2Very high96.4Very high85 Ų8576 Ų7644%0.43639%0.39SS..EExtended strand (participates in β ladder)trans-96.1111.3163.8-53.6175.4000105.9T16 Y67T16-I69 HydrophobicContact CG2-CD1 4.16Å; T16-I69 PolarHBondContact N-O 2.84Å; T16-I69 VanDerWaalsContact N-O 3.11Å; T16-I69 WeakPolarHBondContact O-CB 3.28Å; T16-I69 PolarHBondContact O-N 3.03Å; Y67-I69 HydrophobicContact CD2-CG1 4.08Å; Y67-I69 HydrophobicContact CE2-CD1 4.18Å; Y67-I69 HydrophobicContact CE2-CG1 3.99Å
70L97.6Very high96Very high54 Ų5476.4 Ų76.428%0.28339%0.389SS..  trans-88151-178.5-56.1-179.8000110.1F6 L10 V15 F68 L74 L76F6-L70 HydrophobicContact CE1-CD1 3.95Å; F6-L70 HydrophobicContact CZ-CD1 3.81Å; L10-L70 HydrophobicContact CD1-CD2 3.62Å; V15-L70 HydrophobicContact CG1-CD2 4.17Å; F68-L70 HydrophobicContact CB-CD2 3.98Å; L70-L74 HydrophobicContact CB-CD2 4.09Å; L70-L74 HydrophobicContact CD1-CD2 3.91Å; L70-L74 HydrophobicContact CD2-CD2 4.39Å; L70-L74 HydrophobicContact CG-CD2 4.36Å; L70-L76 HydrophobicContact CD1-CD2 4.23Å
71P96.7Very high95.6Very high39 Ų3981 Ų8125%0.25341%0.412SS..  trans-65.5142.7172.924.2-27.6000110.4T14 S73 L74T14-P71 WeakPolarHBondContact O-CD 3.46Å; P71-S73 PolarHBondContact O-N 3.35Å; P71-L74 HydrophobicContact CG-CB 4.15Å; P71-L74 HydrophobicContact CG-CD1 4.42Å; P71-L74 WeakPolarHBondContact O-CB 3.42Å; P71-L74 PolarHBondContact O-N 2.71Å; P71-L74 VanDerWaalsContact O-N 3.16Å
72E95.2Very high94.7Very high206 Ų20676.5 Ų76.596%0.96340%0.4SS*.THydrogen-bonded Turntrans-64.1-27.7-177.8-64.3-175.5170.700112.9L74E72-L74 PolarHBondContact O-N 2.82Å
73S95.2Very high93.6Very high108 Ų10884.5 Ų84.576%0.75544%0.437SS*.THydrogen-bonded Turntrans-79.8217960.30000114.2P71P71-S73 PolarHBondContact O-N 3.35Å
74L95.3Very high92.5Very high13 Ų1383.4 Ų83.47%0.06844%0.442CS..  trans-70.1125.8-175.9-168.772.7000110.9F6 L10 E13 L70 P71 E72 L76 L79F6-L74 HydrophobicContact CZ-CD2 4.31Å; L10-L74 HydrophobicContact CD2-CD1 4.18Å; L10-L74 HydrophobicContact CD2-CD2 3.64Å; L10-L74 HydrophobicContact CD2-CG 4.49Å; E13-L74 VanDerWaalsContact CD-CD1 3.44Å; E13-L74 HydrophobicContact CG-CD1 3.69Å; L70-L74 HydrophobicContact CB-CD2 4.09Å; L70-L74 HydrophobicContact CD1-CD2 3.91Å; L70-L74 HydrophobicContact CD2-CD2 4.39Å; L70-L74 HydrophobicContact CG-CD2 4.36Å; P71-L74 HydrophobicContact CG-CB 4.15Å; P71-L74 HydrophobicContact CG-CD1 4.42Å; P71-L74 WeakPolarHBondContact O-CB 3.42Å; P71-L74 PolarHBondContact O-N 2.71Å; P71-L74 VanDerWaalsContact O-N 3.16Å; E72-L74 PolarHBondContact O-N 2.82Å; L74-L76 VanDerWaalsContact C-N 3.31Å; L74-L76 HydrophobicContact CD2-CD2 3.75Å; L74-L76 HydrophobicContact CG-CD2 4.29Å; L74-L76 PolarHBondContact O-N 3.45Å; L74-L79 HydrophobicContact CD1-CD1 3.68Å; L74-L79 HydrophobicContact CD2-CD1 3.99Å; L74-L79 HydrophobicContact CG-CD1 3.66Å
75P94Very high91.5Very high71 Ų7185.6 Ų85.646%0.46146%0.461SS..  trans-77.177-177.231.7-36000112.1D77 T78 L79P75-D77 VanDerWaalsContact C-N 3.3Å; P75-D77 PolarHBondContact O-N 3.14Å; P75-T78 PolarHBondContact O-N 3.18Å; P75-L79 WeakPolarHBondContact O-CG 3.24Å; P75-L79 PolarHBondContact O-N 3.17Å
76L93.9Very high90.2Very high76 Ų7690.3 Ų90.340%0.39849%0.493SS..Hα-helixtrans-56.8-39.9-175.5-64.8-179.6000113F6 L70 L74 T78 L79 L80F6-L76 HydrophobicContact CE2-CD2 4.06Å; F6-L76 HydrophobicContact CZ-CD2 3.84Å; L70-L76 HydrophobicContact CD1-CD2 4.23Å; L74-L76 VanDerWaalsContact C-N 3.31Å; L74-L76 HydrophobicContact CD2-CD2 3.75Å; L74-L76 HydrophobicContact CG-CD2 4.29Å; L74-L76 PolarHBondContact O-N 3.45Å; L76-T78 PolarHBondContact O-N 3.49Å; L76-L79 PolarHBondContact O-N 3.28Å; L76-L79 VanDerWaalsContact O-N 3.14Å; L76-L80 HydrophobicContact CB-CD1 4.08Å; L76-L80 VanDerWaalsContact O-CB 3.24Å; L76-L80 WeakPolarHBondContact O-CB 3.47Å; L76-L80 WeakPolarHBondContact O-CG 3Å; L76-L80 PolarHBondContact O-N 2.66Å
77D91Very high88.8Confident143 Ų14394.4 Ų94.477%0.76551%0.514SS*.Hα-helixtrans-57.9-36.8-179.2-64.9-29.1000112.6P75 I81P75-D77 VanDerWaalsContact C-N 3.3Å; P75-D77 PolarHBondContact O-N 3.14Å; D77-I81 WeakPolarHBondContact O-CD1 3.32Å; D77-I81 WeakPolarHBondContact O-CG1 3.33Å
78T91.4Very high87.5Confident98 Ų98100.7 Ų100.760%0.60154%0.537SS*.Hα-helixtrans-78.5-42178.3-57.20000110.9P75 L76 L80P75-T78 PolarHBondContact O-N 3.18Å; L76-T78 PolarHBondContact O-N 3.49Å; T78-L80 PolarHBondContact O-N 3.22Å
79L91.9Very high86.1Confident29 Ų29108 Ų10815%0.15257%0.569CS.*Hα-helixtrans-73.6-28.2-175-65.2176.9000113.1F6 K9 L10 L74 P75 L76 I81F6-L79 HydrophobicContact CD2-CB 3.95Å; F6-L79 HydrophobicContact CE2-CB 3.69Å; F6-L79 HydrophobicContact CE2-CD1 4.33Å; K9-L79 HydrophobicContact CB-CD2 4.04Å; K9-L79 HydrophobicContact CD-CD2 4.27Å; K9-L79 WeakPolarHBondContact CD-O 3.42Å; K9-L79 PolarHBondContact NZ-O 2.91Å; L10-L79 HydrophobicContact CD2-CD1 3.99Å; L74-L79 HydrophobicContact CD1-CD1 3.68Å; L74-L79 HydrophobicContact CD2-CD1 3.99Å; L74-L79 HydrophobicContact CG-CD1 3.66Å; P75-L79 WeakPolarHBondContact O-CG 3.24Å; P75-L79 PolarHBondContact O-N 3.17Å; L76-L79 PolarHBondContact O-N 3.28Å; L76-L79 VanDerWaalsContact O-N 3.14Å; L79-I81 VanDerWaalsContact C-N 3.3Å; L79-I81 PolarHBondContact O-N 2.84Å
80L91.1Very high84.1Confident93 Ų93110.5 Ų110.549%0.48759%0.59SS.*THydrogen-bonded Turntrans-80.1-5.6-179.1-69.2173.5000114.1F6 L76 T78F6-L80 HydrophobicContact CD2-CD2 3.66Å; F6-L80 HydrophobicContact CD2-CG 4.31Å; F6-L80 HydrophobicContact CE2-CD2 3.93Å; F6-L80 HydrophobicContact CE2-CG 4.31Å; F6-L80 HydrophobicContact CG-CD2 4.15Å; L76-L80 HydrophobicContact CB-CD1 4.08Å; L76-L80 VanDerWaalsContact O-CB 3.24Å; L76-L80 WeakPolarHBondContact O-CB 3.47Å; L76-L80 WeakPolarHBondContact O-CG 3Å; L76-L80 PolarHBondContact O-N 2.66Å; T78-L80 PolarHBondContact O-N 3.22Å
81I89Confident82.1Confident103 Ų103111.4 Ų111.453%0.52861%0.612SS.*  trans-77.4124.7175.7-62.8163.9000110K9 D77 L79 E83K9-I81 PolarHBondContact NZ-O 2.79Å; D77-I81 WeakPolarHBondContact O-CD1 3.32Å; D77-I81 WeakPolarHBondContact O-CG1 3.33Å; L79-I81 VanDerWaalsContact C-N 3.3Å; L79-I81 PolarHBondContact O-N 2.84Å; I81-E83 PolarHBondContact O-N 3.04Å
82D80.2Confident80.1Confident63 Ų63121 Ų12134%0.33764%0.643SS.*  trans-74.2113165.6-80.8-28.8000107.6M1 G84M1-D82 WeakPolarHBondContact CA-OD1 3.2Å; M1-D82 WeakPolarHBondContact CA-OD2 3.42Å; M1-D82 HydrophobicContact CE-CB 3.3Å; M1-D82 WeakPolarHBondContact CE-OD2 3.41Å; M1-D82 PolarHBondContact N-OD2 2.84Å; M1-D82 HydrophobicContact SD-CB 3.41Å; M1-D82 WeakPolarHBondContact SD-CB 3.17Å; M1-D82 PolarHBondContact SD-N 2.85Å; D82-G84 PolarHBondContact O-N 2.94Å; D82-G84 VanDerWaalsContact O-N 3.08Å
83E74.7Confident78.1Confident170 Ų170119 Ų11979%0.79464%0.635SS**  trans-66110.4157.7-64.7-172.2175.500106.9I81I81-E83 PolarHBondContact O-N 3.04Å
84G75.6Confident75.9Confident49 Ų49122.9 Ų122.951%0.50564%0.64SS.*PPolyproline II helixtrans-54.5167.1173.800000111.5D82D82-G84 PolarHBondContact O-N 2.94Å; D82-G84 VanDerWaalsContact O-N 3.08Å
85P77.1Confident73.6Confident119 Ų119133 Ų13377%0.77368%0.678SS**SBendtrans-49.4136.4178.221.2-31.9000109.8K87P85-K87 PolarHBondContact O-N 3.08Å
86P70.7Confident71.3Confident121 Ų121134.4 Ų134.479%0.78669%0.687SS**PPolyproline II helixtrans-52.2118-17719.2-30.6000107.4R88P86-R88 PolarHBondContact O-N 3.18Å
87K70.3Confident69Low202 Ų202137.4 Ų137.488%0.87871%0.709SS**  trans-50.9111.9-178.6-73-176.6178.9179.40106.2P85 K89P85-K87 PolarHBondContact O-N 3.08Å; K87-K89 PolarHBondContact O-N 3.31Å
88R70.9Confident66.9Low236 Ų236137.2 Ų137.289%0.89171%0.706SS**  trans-49.3121.7170.1-76.5179.3151.8-163.1-5.7105.3P86 P90P86-R88 PolarHBondContact O-N 3.18Å; R88-P90 VanDerWaalsContact O-CD 3.24Å; R88-P90 WeakPolarHBondContact O-CD 3.24Å
89K67.7Low64.7Low191 Ų191144 Ų14483%0.8372%0.721SS**  trans-47.3117175.4-72.3-175.2177.6-176.20107.2K87 G91K87-K89 PolarHBondContact O-N 3.31Å; K89-G91 PolarHBondContact O-N 2.91Å
90P56.1Low62.3Low136 Ų136145.8 Ų145.888%0.88375%0.747SS**THydrogen-bonded Turntrans-66.4110.3170.225.9-28.6000105.5R88R88-P90 VanDerWaalsContact O-CD 3.24Å; R88-P90 WeakPolarHBondContact O-CD 3.24Å
91G55.2Low60.1Low73 Ų73153 Ų15375%0.75377%0.767SS**THydrogen-bonded Turntrans143.812.8179.900000117.9K89 E93K89-G91 PolarHBondContact O-N 2.91Å; G91-E93 VanDerWaalsContact C-N 3.29Å
92R54.8Low57.8Low240 Ų240151.1 Ų151.191%0.90677%0.774SS**  trans-98.676.3146.7-155.1174.8-171.7177.61.7107E94R92-E94 PolarHBondContact O-N 2.74Å; R92-E94 VanDerWaalsContact O-N 3.14Å
93E53.9Low56.1Low166 Ų166159.8 Ų159.878%0.77680%0.802SS**  trans-31.6121.7150.2-99.7174.1151.300107.5G91 R95G91-E93 VanDerWaalsContact C-N 3.29Å; E93-R95 PolarHBondContact O-N 3.27Å
94E48.4Very low54.6Low188 Ų188155.4 Ų155.488%0.87980%0.802SS**  trans-5092.6152.5-72.6175.1158.300105.6R92 P96R92-E94 PolarHBondContact O-N 2.74Å; R92-E94 VanDerWaalsContact O-N 3.14Å; E94-P96 VanDerWaalsContact O-CD 3.27Å; E94-P96 WeakPolarHBondContact O-CD 3.27Å
95R48Very low53Low225 Ų225161.2 Ų161.285%0.84982%0.821SS**  trans-53.4116.6162.4-74.5-175.1174.2-156.9-2.5103.1E93 T97E93-R95 PolarHBondContact O-N 3.27Å; R95-T97 PolarHBondContact O-N 3.05Å
96P45.7Very low51.4Low101 Ų101161.5 Ų161.566%0.65682%0.82SS**  trans-53.5141.417723-31.2000105.6E94 I98E94-P96 VanDerWaalsContact O-CD 3.27Å; E94-P96 WeakPolarHBondContact O-CD 3.27Å; P96-I98 PolarHBondContact O-N 2.63Å
97T45.7Very low49.9Very low139 Ų139167.7 Ų167.785%0.85383%0.828SS**  trans-54.387168.5430000107.4R95 R99R95-T97 PolarHBondContact O-N 3.05Å; T97-R99 PolarHBondContact O-N 3.27Å
98I45.7Very low48.6Very low140 Ų140160.6 Ų160.672%0.71881%0.812SS**  trans-71.579.7163.7-63.5178.4000103.8P96 G100P96-I98 PolarHBondContact O-N 2.63Å; I98-G100 PolarHBondContact O-N 2.72Å
99R45.6Very low47.2Very low240 Ų240161.7 Ų161.791%0.90682%0.816SS**  trans-5595.7159.4-165.7175.9-171.8171.71.7105.5T97T97-R99 PolarHBondContact O-N 3.27Å
100G42.7Very low45.9Very low67 Ų67156.1 Ų156.169%0.69181%0.812SS**SBendtrans57.988.215900000116.3I98I98-G100 PolarHBondContact O-N 2.72Å
101R43.6Very low45.2Very low243 Ų243161.7 Ų161.792%0.91782%0.816SS**  trans-146.567.3137.3-121.6174.4179.7179.9-0.3110
102G41.8Very low44.4Very low65 Ų65162.4 Ų162.467%0.6782%0.823SS**  trans-60.2144.416100000110.3
103R44.8Very low43.9Very low245 Ų245154.3 Ų154.393%0.92581%0.814SS**  trans74.292.7151.4-59.7180171.3179.5-3.4116.6
104G41.4Very low43.6Very low78 Ų78152.5 Ų152.580%0.80482%0.817SS**  trans-13826.4160.300000113.4
105L42.3Very low43.6Very low171 Ų171155.7 Ų155.790%0.89582%0.821SS**  trans-124.465.3170.4-84.2160.1000108.2
106V44.1Very low43.3Very low125 Ų125148.2 Ų148.276%0.75881%0.814SS**  trans-100.183.8163.3-176.20000107.3G108V106-G108 PolarHBondContact O-N 3.14Å
107R40.1Very low43.2Very low251 Ų251155.9 Ų155.995%0.94783%0.83SS**  trans-69.999.5158.8-170.4179.3-173168.51.6106.2
108G41.4Very low43.2Very low53 Ų53152.7 Ų152.755%0.54682%0.824SS.*  trans175.569.3-17700000116.3V106V106-G108 PolarHBondContact O-N 3.14Å
109R41.2Very low43.4Very low259 Ų259158.3 Ų158.398%0.97784%0.836SS**  35.9100.6123.3-155.8-178.2-165.4-173.94.1115.8
110G40.5Very low43.5Very low73 Ų73150.2 Ų150.275%0.75383%0.828SS**  trans169.887164.800000116.5
111R42.1Very low43.9Very low254 Ų254153 Ų15396%0.95883%0.834SS**  trans25.5116.8140.1-74.3175.5166.9172.9-5.1118.2
112G39.2Very low44.5Very low87 Ų87147 Ų14790%0.89783%0.826SS**  106.1116.6119.400000116.8
113G44.2Very low45Very low70 Ų70151.6 Ų151.672%0.72283%0.832SS**  trans139.7101.4146.300000115.1
114P47.4Very low45.4Very low129 Ų129150.8 Ų150.884%0.83883%0.829SS**  trans-87.4108.7164.432.5-24.4000109.1
115R47.1Very low46.3Very low254 Ų254160.4 Ų160.496%0.95884%0.843SS**  trans-164.7128.8170.9-102.5179.5174.7164.2-2.1106.8
116G42.6Very low46.5Very low68 Ų68159.9 Ų159.970%0.70184%0.84SS**  cis-165.9135.7-6.500000103.5
117R42.9Very low46.6Very low263 Ų263161.7 Ų161.799%0.99285%0.845SS**  41.2103.3103-144.5-180-165.5-169.94.6113.5
118G46.4Very low46.9Very low71 Ų71156.7 Ų156.773%0.73284%0.839SS**  trans166.776.4166.400000111.1
119R49.1Very low47.3Very low258 Ų258162.8 Ų162.897%0.97486%0.856SS**  53.610899.3-85.6-171.2171.5179.5-2.4114
120G47.8Very low47.7Very low71 Ų71156.8 Ų156.873%0.73285%0.849SS**  trans-165.3114.9154.700000108.3
121P52.8Low48.1Very low125 Ų125162.4 Ų162.481%0.81286%0.855SS**  trans-85.9166-159.135.1-33.9000113.4
122P54.3Low48.6Very low116 Ų116155.9 Ų155.975%0.75385%0.848SS**  trans-76.6132.7-175.229.8-33.3000112.2R124P122-R124 PolarHBondContact O-N 3.34Å
123M52.3Low49.3Very low163 Ų163161.2 Ų161.280%0.80384%0.844SS**  trans-72115.1173.2-155.7174.5-157.600108.8Y125M123-Y125 HydrophobicContact CE-CE2 4.14Å; M123-Y125 HydrophobicContact SD-CE2 4.42Å
124R53.2Low49.7Very low228 Ų228168.8 Ų168.886%0.8685%0.854SS**  trans-104.9132.4166.2-71.9-173.1174.1-152.1-1.2108P122P122-R124 PolarHBondContact O-N 3.34Å
125Y60.5Low49.9Very low279 Ų279172.4 Ų172.4100%1.09486%0.856SS**  trans-103.10148.1-76.6-82.1000106.9M123M123-Y125 HydrophobicContact CE-CE2 4.14Å; M123-Y125 HydrophobicContact SD-CE2 4.42Å

Retrieved 125 of 125 residues in 341.7 ms (Link to these results)

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