A0A077Z142_TRITR Loading...

Glycine cleavage system H protein

The H protein shuttles the methylamine group of glycine from the P protein to the T protein.

AlphaFold DB , UniProt , Accession A0A077Z142, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 144 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
1M39.2Very low46.5Very low243 Ų243144.9 Ų144.9100%1.19777%0.773SS**  096.20-61.9-166.3-158.800107.1K3M1-K3 PolarHBondContact O-N 3.34Å
2E40Very low49.9Very low198 Ų198143.1 Ų143.193%0.92575%0.754SS**  trans-72115.5173.5-78.5167.5114.300108.2A4E2-A4 PolarHBondContact O-N 2.86Å
3K41.1Very low53.2Low202 Ų202135.4 Ų135.488%0.87871%0.708SS**  trans-68.2102.5166.5-79.6-173.4176.3-176.10106.6M1 C5M1-K3 PolarHBondContact O-N 3.34Å; K3-C5 PolarHBondContact O-N 2.95Å
4A39.6Very low56.3Low83 Ų83126.2 Ų126.269%0.68666%0.66SS**  trans-51.8109.5163.200000107.6E2 T6E2-A4 PolarHBondContact O-N 2.86Å; A4-T6 PolarHBondContact O-N 3.05Å
5C37.6Very low59.1Low116 Ų116118.4 Ų118.478%0.78462%0.618SS**  trans-73.877.6177.2-1630000107.6K3 C7K3-C5 PolarHBondContact O-N 2.95Å; C5-C7 PolarHBondContact O-N 3.01Å
6T41.1Very low61.6Low116 Ų116111.3 Ų111.371%0.71258%0.581SS**  trans-73.983.4167.543.80000107.4A4 P8A4-T6 PolarHBondContact O-N 3.05Å; T6-P8 WeakPolarHBondContact O-CD 3.35Å; T6-P8 WeakPolarHBondContact O-CG 3.02Å
7C37.1Very low63.7Low96 Ų96110.6 Ų110.665%0.64958%0.579SS**  trans-69.1102.4162.8-95.50000107.1C5 F9C5-C7 PolarHBondContact O-N 3.01Å; C7-F9 PolarHBondContact O-N 3.16Å; C7-F9 VanDerWaalsContact O-N 3.16Å
8P43.3Very low65.6Low114 Ų114111.7 Ų111.774%0.7458%0.578SS**SBendtrans-76.5-5.6-163.5-11.629.1000114.2T6T6-P8 WeakPolarHBondContact O-CD 3.35Å; T6-P8 WeakPolarHBondContact O-CG 3.02Å
9F51.8Low67.2Low143 Ų143107.5 Ų107.563%0.62756%0.555SS**  trans-145.491.9176.8-83.2-91.9000108.2C7 A11C7-F9 PolarHBondContact O-N 3.16Å; C7-F9 VanDerWaalsContact O-N 3.16Å; F9-A11 PolarHBondContact O-N 3.18Å
10R62.6Low68.8Low229 Ų229102.5 Ų102.586%0.86453%0.529SS*.  trans-63.1125158.8-85.8-172.6172.8177.7-1.5106.3K12R10-K12 PolarHBondContact O-N 2.89Å
11A78.3Confident70.1Confident54 Ų5497.8 Ų97.845%0.44651%0.505SS..  trans-55.2131.6174.800000108.8F9 L23 I24F9-A11 PolarHBondContact O-N 3.18Å; A11-L23 HydrophobicContact CB-CD1 3.7Å; A11-L23 HydrophobicContact CB-CD2 4.39Å; A11-L23 HydrophobicContact CB-CG 4.04Å; A11-I24 VanDerWaalsContact CA-O 3.26Å; A11-I24 WeakPolarHBondContact CA-O 3.26Å
12K87Confident72.9Confident123 Ų12386.2 Ų86.254%0.53545%0.448SS..EExtended strand (participates in β ladder)trans-112.7123.9-178.2-171.6-179.4-176.9-171.30108.8R10 L14 I24R10-K12 PolarHBondContact O-N 2.89Å; K12-L14 HydrophobicContact CD-CD2 4.25Å; K12-L14 HydrophobicContact CG-CD2 4.46Å; K12-L14 HydrophobicContact CG-CG 4.46Å; K12-I24 PolarHBondContact N-O 3.39Å; K12-I24 PolarHBondContact O-N 2.81Å
13R93.6Very high75.5Confident43 Ų4378 Ų7816%0.16241%0.41CS..EExtended strand (participates in β ladder)trans-90.8131.5172.4-159.2175.9-59.1116.9-1.8109.6Y15 W21 V22 L23 D102R13-Y15 HydrophobicContact CB-CE2 4.48Å; R13-Y15 WeakPolarHBondContact CD-OH 3.42Å; R13-Y15 HydrophobicContact CG-CE1 4.43Å; R13-Y15 HydrophobicContact CG-CE2 4.18Å; R13-W21 HydrophobicContact CG-CB 4.01Å; R13-W21 HydrophobicContact CG-CE3 4.37Å; R13-W21 HydrophobicContact CG-CG 4.49Å; R13-V22 WeakPolarHBondContact CA-O 3.41Å; R13-L23 HydrophobicContact CB-CD1 4.05Å; R13-D102 IonicContact NH2-OD2 3.8Å; R13-D102 PolarHBondContact NH2-OD2 2.83Å
14L96.6Very high78Confident7 Ų769.2 Ų69.24%0.03737%0.373CS..EExtended strand (participates in β ladder)trans-127.1157.4175.6-65.8171.9000108.6K12 W21 V22 L124 L127 L128 D129K12-L14 HydrophobicContact CD-CD2 4.25Å; K12-L14 HydrophobicContact CG-CD2 4.46Å; K12-L14 HydrophobicContact CG-CG 4.46Å; L14-W21 CarbonylContact O-C 3.59Å; L14-W21 WeakPolarHBondContact O-CA 3.31Å; L14-V22 HydrophobicContact CB-CG1 4.17Å; L14-V22 PolarHBondContact N-O 3.3Å; L14-V22 PolarHBondContact O-N 2.88Å; L14-L124 HydrophobicContact CD1-CB 3.94Å; L14-L124 HydrophobicContact CD1-CD2 3.94Å; L14-L124 HydrophobicContact CD1-CG 4.46Å; L14-L127 HydrophobicContact CB-CB 3.79Å; L14-L127 HydrophobicContact CB-CD1 3.84Å; L14-L127 HydrophobicContact CB-CG 4.49Å; L14-L127 HydrophobicContact CD1-CB 4.28Å; L14-L127 HydrophobicContact CD1-CD1 4.22Å; L14-L127 HydrophobicContact CG-CB 4.47Å; L14-L128 CarbonylContact C-O 3.53Å; L14-L128 VanDerWaalsContact CA-O 3.27Å; L14-L128 WeakPolarHBondContact CA-O 3.4Å; L14-D129 HydrophobicContact CD2-CB 4.4Å
15Y98.3Very high80.4Confident9 Ų969.9 Ų69.94%0.03536%0.364CS..EExtended strand (participates in β ladder)trans-131.5152.7-172-56.8-97.5000111.8R13 E20 W21 L127 L128 E130 Y133R13-Y15 HydrophobicContact CB-CE2 4.48Å; R13-Y15 WeakPolarHBondContact CD-OH 3.42Å; R13-Y15 HydrophobicContact CG-CE1 4.43Å; R13-Y15 HydrophobicContact CG-CE2 4.18Å; Y15-E20 CarbonylContact C-O 3.53Å; Y15-E20 VanDerWaalsContact CA-O 3.23Å; Y15-E20 WeakPolarHBondContact CA-O 3.5Å; Y15-W21 HydrophobicContact CD1-CB 3.56Å; Y15-W21 HydrophobicContact CE1-CB 3.67Å; Y15-W21 HydrophobicContact CE1-CG 4.4Å; Y15-W21 HydrophobicContact CG-CB 4.33Å; Y15-L127 WeakPolarHBondContact O-CB 3.34Å; Y15-L128 PolarHBondContact N-O 3.28Å; Y15-L128 WeakPolarHBondContact O-CB 3.4Å; Y15-L128 PolarHBondContact O-N 2.88Å; Y15-E130 HydrophobicContact CE2-CB 4.21Å; Y15-E130 HydrophobicContact CE2-CG 4.48Å; Y15-Y133 AromaticContact CD1-CD1 3.57Å; Y15-Y133 HydrophobicContact CD1-CD1 3.57Å; Y15-Y133 HydrophobicContact CD1-CD2 4.1Å; Y15-Y133 AromaticContact CD1-CE1 3.73Å; Y15-Y133 HydrophobicContact CD1-CE1 3.73Å; Y15-Y133 HydrophobicContact CD1-CE2 4.22Å; Y15-Y133 AromaticContact CD1-CG 3.77Å; Y15-Y133 HydrophobicContact CD1-CG 3.77Å; Y15-Y133 HydrophobicContact CD2-CD1 4.13Å; Y15-Y133 AromaticContact CD2-CG 3.86Å; Y15-Y133 HydrophobicContact CD2-CG 3.86Å; Y15-Y133 AromaticContact CE1-CD1 3.83Å; Y15-Y133 HydrophobicContact CE1-CD1 3.83Å; Y15-Y133 AromaticContact CE1-CE1 3.99Å; Y15-Y133 HydrophobicContact CE1-CE1 3.99Å; Y15-Y133 HydrophobicContact CE1-CG 4.41Å; Y15-Y133 HydrophobicContact CE2-CD1 4.34Å; Y15-Y133 HydrophobicContact CE2-CG 4.48Å; Y15-Y133 AromaticContact CG-CD1 3.74Å; Y15-Y133 HydrophobicContact CG-CD1 3.74Å; Y15-Y133 AromaticContact CG-CD2 3.79Å; Y15-Y133 HydrophobicContact CG-CD2 3.79Å; Y15-Y133 HydrophobicContact CG-CE1 4.29Å; Y15-Y133 HydrophobicContact CG-CE2 4.33Å; Y15-Y133 AromaticContact CG-CG 3.45Å; Y15-Y133 HydrophobicContact CG-CG 3.45Å; Y15-Y133 VanDerWaalsContact CG-CG 3.45Å
16T98.5Very high83Confident4 Ų466 Ų663%0.02534%0.344CS..  trans-89.2165.9166.267.40000109.9K18 H19 E20 F59 P77 L127 Y133T16-K18 PolarHBondContact O-N 3.06Å; T16-K18 PolarHBondContact OG1-N 2.73Å; T16-H19 PolarHBondContact O-N 2.87Å; T16-H19 PolarHBondContact OG1-N 3.11Å; T16-H19 VanDerWaalsContact OG1-N 3.12Å; T16-E20 WeakPolarHBondContact CB-OE2 3.43Å; T16-E20 HydrophobicContact CG2-CB 4.17Å; T16-E20 PolarHBondContact N-O 2.56Å; T16-E20 PolarHBondContact OG1-N 2.89Å; T16-E20 PolarHBondContact OG1-O 2.9Å; T16-E20 PolarHBondContact OG1-OE2 3.24Å; T16-F59 HydrophobicContact CG2-CE1 4.06Å; T16-P77 HydrophobicContact CG2-CB 3.76Å; T16-P77 HydrophobicContact CG2-CG 4.02Å; T16-L127 HydrophobicContact CG2-CD2 4.01Å; T16-Y133 WeakPolarHBondContact O-CE2 3.47Å
17D97.1Very high85.4Confident100 Ų10066.3 Ų66.354%0.53534%0.337SS..THydrogen-bonded Turntrans-71.4-13.3166.863.7-21.6000112.8H19 L136D17-H19 VanDerWaalsContact C-N 3.34Å; D17-L136 HydrophobicContact CB-CD2 4.39Å
18K97.5Very high88.2Confident131 Ų13165.5 Ų65.557%0.5732%0.324SS*.THydrogen-bonded Turntrans-91.99.3173.6-61.7-57.9-175.2179.20114T16 E20T16-K18 PolarHBondContact O-N 3.06Å; T16-K18 PolarHBondContact OG1-N 2.73Å; K18-E20 VanDerWaalsContact C-N 3.35Å; K18-E20 VanDerWaalsContact CB-OE2 3.22Å; K18-E20 WeakPolarHBondContact CB-OE2 3.24Å; K18-E20 PolarHBondContact O-N 2.95Å
19H97.4Very high90.7Very high32 Ų3260 Ų6015%0.14829%0.289CS..SBendtrans71.819.7171.5-44.9-65000115.9T16 D17 S34 Y36 A37 Y133 L140T16-H19 PolarHBondContact O-N 2.87Å; T16-H19 PolarHBondContact OG1-N 3.11Å; T16-H19 VanDerWaalsContact OG1-N 3.12Å; D17-H19 VanDerWaalsContact C-N 3.34Å; H19-S34 WeakPolarHBondContact O-CB 3.48Å; H19-S34 PolarHBondContact O-N 2.89Å; H19-S34 PolarHBondContact O-OG 2.95Å; H19-Y36 AromaticContact CD2-CD1 3.88Å; H19-Y36 AromaticContact CD2-CE1 3.97Å; H19-Y36 AromaticContact CE1-CD1 3.59Å; H19-Y36 AromaticContact CE1-CE1 3.66Å; H19-Y36 AromaticContact CG-CD1 3.85Å; H19-Y36 AromaticContact ND1-CD1 3.65Å; H19-Y36 AromaticContact NE2-CD1 3.72Å; H19-Y36 AromaticContact NE2-CE1 3.5Å; H19-Y36 WeakPolarHBondContact NE2-CE1 3.06Å; H19-A37 HydrophobicContact CB-CB 3.74Å; H19-Y133 WeakPolarHBondContact CA-OH 3.48Å; H19-Y133 HydrophobicContact CB-CE2 4.46Å; H19-Y133 WeakPolarHBondContact CB-OH 3.44Å; H19-Y133 AromaticContact ND1-CE2 3.57Å; H19-Y133 AromaticContact ND1-CZ 3.62Å; H19-Y133 PolarHBondContact ND1-OH 3.08Å; H19-L140 WeakPolarHBondContact CE1-CD1 3.23Å
20E98.1Very high92.8Very high6 Ų654.3 Ų54.33%0.02827%0.265CS..EExtended strand (participates in β ladder)trans-82152.8159.9-57.788.7-178.600111.1Y15 T16 K18 G32 I33 V74 Y75 P77Y15-E20 CarbonylContact C-O 3.53Å; Y15-E20 VanDerWaalsContact CA-O 3.23Å; Y15-E20 WeakPolarHBondContact CA-O 3.5Å; T16-E20 WeakPolarHBondContact CB-OE2 3.43Å; T16-E20 HydrophobicContact CG2-CB 4.17Å; T16-E20 PolarHBondContact N-O 2.56Å; T16-E20 PolarHBondContact OG1-N 2.89Å; T16-E20 PolarHBondContact OG1-O 2.9Å; T16-E20 PolarHBondContact OG1-OE2 3.24Å; K18-E20 VanDerWaalsContact C-N 3.35Å; K18-E20 VanDerWaalsContact CB-OE2 3.22Å; K18-E20 WeakPolarHBondContact CB-OE2 3.24Å; K18-E20 PolarHBondContact O-N 2.95Å; E20-G32 CarbonylContact C-O 3.54Å; E20-G32 WeakPolarHBondContact CA-O 3.15Å; E20-I33 HydrophobicContact CG-CG2 4.48Å; E20-V74 HydrophobicContact CG-CG1 3.56Å; E20-Y75 WeakPolarHBondContact CG-O 3.35Å; E20-Y75 PolarHBondContact OE1-N 2.98Å; E20-P77 HydrophobicContact CB-CG 3.86Å
21W97.3Very high94.5Very high5 Ų543.4 Ų43.42%0.01922%0.224CC..EExtended strand (participates in β ladder)trans-122.7152.4170.658.8-98000111.5R13 L14 Y15 L23 T30 V31 G32 I33 C100 L101 W112R13-W21 HydrophobicContact CG-CB 4.01Å; R13-W21 HydrophobicContact CG-CE3 4.37Å; R13-W21 HydrophobicContact CG-CG 4.49Å; L14-W21 CarbonylContact O-C 3.59Å; L14-W21 WeakPolarHBondContact O-CA 3.31Å; Y15-W21 HydrophobicContact CD1-CB 3.56Å; Y15-W21 HydrophobicContact CE1-CB 3.67Å; Y15-W21 HydrophobicContact CE1-CG 4.4Å; Y15-W21 HydrophobicContact CG-CB 4.33Å; W21-L23 HydrophobicContact CE3-CB 4.25Å; W21-L23 HydrophobicContact CZ3-CB 3.96Å; W21-T30 HydrophobicContact CH2-CG2 4.05Å; W21-T30 HydrophobicContact CZ3-CG2 4.04Å; W21-T30 WeakPolarHBondContact CZ3-O 3.16Å; W21-V31 VanDerWaalsContact O-CA 3.31Å; W21-V31 WeakPolarHBondContact O-CA 3.21Å; W21-G32 VanDerWaalsContact CE2-CA 3.44Å; W21-G32 PolarHBondContact N-O 2.79Å; W21-G32 VanDerWaalsContact NE1-C 3.34Å; W21-G32 PolarHBondContact O-N 3.41Å; W21-G32 VanDerWaalsContact O-N 3.08Å; W21-I33 VanDerWaalsContact CD1-O 3.24Å; W21-I33 VanDerWaalsContact NE1-C 3.33Å; W21-I33 PolarHBondContact NE1-O 2.88Å; W21-C100 WeakPolarHBondContact CZ2-O 3.41Å; W21-C100 PolarHBondContact NE1-O 3.28Å; W21-L101 HydrophobicContact CD2-CD2 4.21Å; W21-L101 HydrophobicContact CG-CD2 4.02Å; W21-W112 HydrophobicContact CH2-CB 3.89Å; W21-W112 HydrophobicContact CZ2-CB 4.38Å
22V96.3Very high95.4Very high0 Ų040.8 Ų40.80%020%0.203CC..EExtended strand (participates in β ladder)trans-127.2125.616765.10000110R13 L14 I24 T30 V31 P77 V78 L127R13-V22 WeakPolarHBondContact CA-O 3.41Å; L14-V22 HydrophobicContact CB-CG1 4.17Å; L14-V22 PolarHBondContact N-O 3.3Å; L14-V22 PolarHBondContact O-N 2.88Å; V22-I24 HydrophobicContact CB-CD1 4.43Å; V22-I24 HydrophobicContact CG1-CD1 4.08Å; V22-I24 HydrophobicContact CG1-CG1 4.41Å; V22-I24 HydrophobicContact CG2-CD1 3.55Å; V22-I24 HydrophobicContact CG2-CG1 4.45Å; V22-T30 CarbonylContact C-O 3.59Å; V22-T30 VanDerWaalsContact CA-O 3.25Å; V22-T30 WeakPolarHBondContact CA-O 3.36Å; V22-V31 HydrophobicContact CB-CG2 4.32Å; V22-V31 HydrophobicContact CG2-CG2 4.02Å; V22-P77 HydrophobicContact CB-CB 4.08Å; V22-P77 HydrophobicContact CB-CG 4.16Å; V22-P77 HydrophobicContact CG1-CB 3.99Å; V22-V78 HydrophobicContact CG1-CG1 4.43Å; V22-V78 HydrophobicContact CG2-CG2 4.5Å; V22-L127 HydrophobicContact CG1-CD1 3.64Å
23L94.9Very high95.9Very high24 Ų2435.2 Ų35.213%0.12618%0.179CC..EExtended strand (participates in β ladder)trans-95.1113.9171.6-176.569.3000108.9A11 R13 W21 G29 T30A11-L23 HydrophobicContact CB-CD1 3.7Å; A11-L23 HydrophobicContact CB-CD2 4.39Å; A11-L23 HydrophobicContact CB-CG 4.04Å; R13-L23 HydrophobicContact CB-CD1 4.05Å; W21-L23 HydrophobicContact CE3-CB 4.25Å; W21-L23 HydrophobicContact CZ3-CB 3.96Å; L23-G29 WeakPolarHBondContact O-CA 3.35Å; L23-T30 PolarHBondContact N-O 3.38Å; L23-T30 PolarHBondContact O-N 3.11Å
24I93.7Very high96Very high19 Ų1933.2 Ų33.210%0.09717%0.171CC..EExtended strand (participates in β ladder)trans-93.8124-175.4-56.3-61.7000110.9A11 K12 V22 E28 L118 L124A11-I24 VanDerWaalsContact CA-O 3.26Å; A11-I24 WeakPolarHBondContact CA-O 3.26Å; K12-I24 PolarHBondContact N-O 3.39Å; K12-I24 PolarHBondContact O-N 2.81Å; V22-I24 HydrophobicContact CB-CD1 4.43Å; V22-I24 HydrophobicContact CG1-CD1 4.08Å; V22-I24 HydrophobicContact CG1-CG1 4.41Å; V22-I24 HydrophobicContact CG2-CD1 3.55Å; V22-I24 HydrophobicContact CG2-CG1 4.45Å; I24-E28 WeakPolarHBondContact CA-O 3.39Å; I24-L118 HydrophobicContact CD1-CD1 3.99Å; I24-L118 HydrophobicContact CD1-CD2 3.92Å; I24-L124 HydrophobicContact CD1-CD1 4.4Å; I24-L124 HydrophobicContact CD1-CD2 3.67Å; I24-L124 HydrophobicContact CG1-CD1 4.21Å; I24-L124 HydrophobicContact CG1-CD2 3.86Å; I24-L124 HydrophobicContact CG2-CD1 4.38Å
25N91.2Very high95.9Very high96 Ų9635.9 Ų35.951%0.51319%0.185SC..EExtended strand (participates in β ladder)trans-126.994.4169.9-175.214.1000109.5Q27 E28N25-Q27 PolarHBondContact O-N 2.84Å; N25-E28 PolarHBondContact N-O 2.8Å; N25-E28 PolarHBondContact O-N 3.07Å; N25-E28 VanDerWaalsContact O-N 3.11Å
26G90.9Very high95.7Very high34 Ų3437 Ų3735%0.35119%0.19SC..THydrogen-bonded Turntrans65-114.2-172.900000111.7
27Q92.9Very high95.6Very high123 Ų12337.4 Ų37.458%0.57519%0.194SC*.THydrogen-bonded Turntrans-99.50.5176.8-67.5-176.934.400113.5N25 K117 L118N25-Q27 PolarHBondContact O-N 2.84Å; Q27-K117 WeakPolarHBondContact O-CA 3.48Å; Q27-L118 VanDerWaalsContact O-CD1 3.23Å; Q27-L118 WeakPolarHBondContact O-CD1 3.48Å; Q27-L118 PolarHBondContact O-N 2.92Å
28E94.8Very high95.6Very high79 Ų7933.5 Ų33.537%0.36917%0.173SC..EExtended strand (participates in β ladder)trans-95.4134.9176.5-170.8175.594.500109.8I24 N25 L116I24-E28 WeakPolarHBondContact CA-O 3.39Å; N25-E28 PolarHBondContact N-O 2.8Å; N25-E28 PolarHBondContact O-N 3.07Å; N25-E28 VanDerWaalsContact O-N 3.11Å; E28-L116 WeakPolarHBondContact CA-O 3.4Å
29G95.6Very high95.4Very high0 Ų032.2 Ų32.20%017%0.168CC..EExtended strand (participates in β ladder)trans-117.8123.117100000109.8L23 K115 L116L23-G29 WeakPolarHBondContact O-CA 3.35Å; G29-K115 CarbonylContact O-C 3.52Å; G29-K115 VanDerWaalsContact O-CA 3.26Å; G29-K115 WeakPolarHBondContact O-CA 3.35Å; G29-L116 PolarHBondContact N-O 2.63Å; G29-L116 PolarHBondContact O-N 3.3Å
30T96.6Very high95.3Very high22 Ų2234.2 Ų34.214%0.13519%0.191CC..EExtended strand (participates in β ladder)trans-93.7129.4167.3-57.50000108.5W21 V22 L23 W112 K115W21-T30 HydrophobicContact CH2-CG2 4.05Å; W21-T30 HydrophobicContact CZ3-CG2 4.04Å; W21-T30 WeakPolarHBondContact CZ3-O 3.16Å; V22-T30 CarbonylContact C-O 3.59Å; V22-T30 VanDerWaalsContact CA-O 3.25Å; V22-T30 WeakPolarHBondContact CA-O 3.36Å; L23-T30 PolarHBondContact N-O 3.38Å; L23-T30 PolarHBondContact O-N 3.11Å; T30-W112 HydrophobicContact CG2-CB 3.61Å; T30-W112 HydrophobicContact CG2-CD2 4.22Å; T30-W112 HydrophobicContact CG2-CE3 4.2Å; T30-W112 HydrophobicContact CG2-CG 4.01Å; T30-K115 HydrophobicContact CG2-CG 4.25Å
31V97.2Very high95.1Very high0 Ų035 Ų350%020%0.195CC..EExtended strand (participates in β ladder)trans-113.3144.1-173.5179.70000110.9W21 V22 P77 L113 Y114 L116W21-V31 VanDerWaalsContact O-CA 3.31Å; W21-V31 WeakPolarHBondContact O-CA 3.21Å; V22-V31 HydrophobicContact CB-CG2 4.32Å; V22-V31 HydrophobicContact CG2-CG2 4.02Å; V31-P77 HydrophobicContact CG1-CG 4.06Å; V31-P77 HydrophobicContact CG2-CG 4.49Å; V31-L113 PolarHBondContact O-N 3.45Å; V31-Y114 HydrophobicContact CB-CD1 4.26Å; V31-Y114 HydrophobicContact CB-CD2 4.4Å; V31-Y114 HydrophobicContact CB-CE1 3.89Å; V31-Y114 HydrophobicContact CB-CE2 4.08Å; V31-Y114 HydrophobicContact CB-CG 4.49Å; V31-Y114 HydrophobicContact CG1-CD1 4.47Å; V31-Y114 HydrophobicContact CG1-CE1 3.72Å; V31-Y114 HydrophobicContact CG2-CD2 4.44Å; V31-Y114 HydrophobicContact CG2-CE2 3.9Å; V31-Y114 PolarHBondContact N-O 2.98Å; V31-L116 HydrophobicContact CG2-CD2 3.87Å
32G97.2Very high95Very high0 Ų036 Ų360%021%0.207CC..EExtended strand (participates in β ladder)trans-160.2-171.9167.900000112.4E20 W21E20-G32 CarbonylContact C-O 3.54Å; E20-G32 WeakPolarHBondContact CA-O 3.15Å; W21-G32 VanDerWaalsContact CE2-CA 3.44Å; W21-G32 PolarHBondContact N-O 2.79Å; W21-G32 VanDerWaalsContact NE1-C 3.34Å; W21-G32 PolarHBondContact O-N 3.41Å; W21-G32 VanDerWaalsContact O-N 3.08Å
33I97.2Very high95Very high5 Ų542.7 Ų42.73%0.02624%0.238CC..EExtended strand (participates in β ladder)trans-103.4149.8173.865.2171.8000110.7E20 W21 A37 Q38 L41 V74 V96 C100 L113E20-I33 HydrophobicContact CG-CG2 4.48Å; W21-I33 VanDerWaalsContact CD1-O 3.24Å; W21-I33 VanDerWaalsContact NE1-C 3.33Å; W21-I33 PolarHBondContact NE1-O 2.88Å; I33-A37 HydrophobicContact CB-CB 3.93Å; I33-A37 HydrophobicContact CD1-CB 4.27Å; I33-A37 HydrophobicContact CG1-CB 4.42Å; I33-Q38 HydrophobicContact CD1-CB 3.97Å; I33-Q38 HydrophobicContact CG1-CB 4.4Å; I33-L41 HydrophobicContact CD1-CD1 3.84Å; I33-V74 HydrophobicContact CG2-CG1 3.92Å; I33-V74 HydrophobicContact CG2-CG2 3.9Å; I33-V96 HydrophobicContact CD1-CG1 3.61Å; I33-V96 HydrophobicContact CG1-CG1 3.57Å; I33-C100 WeakPolarHBondContact O-CB 3.28Å; I33-L113 HydrophobicContact CG2-CD1 4.24Å
34S95.9Very high95.1Very high1 Ų141.7 Ų41.71%0.00723%0.233CC..  trans-71.3170.7-177.379.90000112.9H19 Y36 A37 Q38 Y133H19-S34 WeakPolarHBondContact O-CB 3.48Å; H19-S34 PolarHBondContact O-N 2.89Å; H19-S34 PolarHBondContact O-OG 2.95Å; S34-Y36 VanDerWaalsContact C-N 3.34Å; S34-Y36 PolarHBondContact OG-N 2.89Å; S34-A37 PolarHBondContact O-N 3.01Å; S34-A37 PolarHBondContact OG-N 2.81Å; S34-A37 VanDerWaalsContact OG-N 3.1Å; S34-Q38 PolarHBondContact O-N 2.97Å; S34-Y133 WeakPolarHBondContact CB-OH 3.45Å; S34-Y133 PolarHBondContact OG-OH 3.41Å
35D94.9Very high95.3Very high63 Ų6344.5 Ų44.534%0.33725%0.251SS..Hα-helixtrans-59.9-43.7172.1-169.346.8000112.3A37 Q38 E39 L101D35-A37 VanDerWaalsContact C-N 3.33Å; D35-A37 PolarHBondContact O-N 2.94Å; D35-Q38 WeakPolarHBondContact O-CG 3.24Å; D35-Q38 PolarHBondContact O-N 3.35Å; D35-Q38 PolarHBondContact O-NE2 2.81Å; D35-Q38 PolarHBondContact OD1-NE2 2.92Å; D35-E39 WeakPolarHBondContact O-CB 3.26Å; D35-E39 VanDerWaalsContact O-CG 3.31Å; D35-E39 WeakPolarHBondContact O-CG 3.15Å; D35-E39 PolarHBondContact O-N 3.26Å; D35-L101 HydrophobicContact CB-CD1 4.12Å
36Y95.5Very high95.6Very high32 Ų3245.4 Ų45.413%0.12525%0.248CC..Hα-helixtrans-58.8-43.6175.1178.1-100.6000112.2H19 S34 E39 A40 V137 L140 R141 E144H19-Y36 AromaticContact CD2-CD1 3.88Å; H19-Y36 AromaticContact CD2-CE1 3.97Å; H19-Y36 AromaticContact CE1-CD1 3.59Å; H19-Y36 AromaticContact CE1-CE1 3.66Å; H19-Y36 AromaticContact CG-CD1 3.85Å; H19-Y36 AromaticContact ND1-CD1 3.65Å; H19-Y36 AromaticContact NE2-CD1 3.72Å; H19-Y36 AromaticContact NE2-CE1 3.5Å; H19-Y36 WeakPolarHBondContact NE2-CE1 3.06Å; S34-Y36 VanDerWaalsContact C-N 3.34Å; S34-Y36 PolarHBondContact OG-N 2.89Å; Y36-E39 PolarHBondContact O-N 3.43Å; Y36-A40 WeakPolarHBondContact O-CB 3.25Å; Y36-A40 PolarHBondContact O-N 2.79Å; Y36-V137 HydrophobicContact CD2-CG1 3.88Å; Y36-V137 HydrophobicContact CG-CG1 4.08Å; Y36-V137 HydrophobicContact CG-CG2 4.26Å; Y36-L140 HydrophobicContact CE1-CD1 3.99Å; Y36-L140 HydrophobicContact CE2-CB 4.44Å; Y36-R141 HydrophobicContact CD2-CG 4.2Å; Y36-R141 HydrophobicContact CE2-CG 4.01Å; Y36-E144 PolarHBondContact OH-OE1 2.86Å
37A95.8Very high96Very high14 Ų1444.1 Ų44.112%0.11623%0.234CC..Hα-helixtrans-63.6-47.5179.500000112.2H19 I33 S34 D35 E39 A40 L41H19-A37 HydrophobicContact CB-CB 3.74Å; I33-A37 HydrophobicContact CB-CB 3.93Å; I33-A37 HydrophobicContact CD1-CB 4.27Å; I33-A37 HydrophobicContact CG1-CB 4.42Å; S34-A37 PolarHBondContact O-N 3.01Å; S34-A37 PolarHBondContact OG-N 2.81Å; S34-A37 VanDerWaalsContact OG-N 3.1Å; D35-A37 VanDerWaalsContact C-N 3.33Å; D35-A37 PolarHBondContact O-N 2.94Å; A37-E39 VanDerWaalsContact C-N 3.35Å; A37-E39 PolarHBondContact O-N 2.83Å; A37-A40 PolarHBondContact O-N 2.86Å; A37-L41 VanDerWaalsContact O-CG 3.31Å; A37-L41 WeakPolarHBondContact O-CG 3.37Å; A37-L41 PolarHBondContact O-N 3.29Å; A37-L41 VanDerWaalsContact O-N 3.08Å
38Q95.9Very high96.2Very high18 Ų1843 Ų438%0.08423%0.228CC..Hα-helixtrans-68.3-35.3-178.771.875.122.300111.9I33 S34 D35 L41 G42 V96 N97 C100I33-Q38 HydrophobicContact CD1-CB 3.97Å; I33-Q38 HydrophobicContact CG1-CB 4.4Å; S34-Q38 PolarHBondContact O-N 2.97Å; D35-Q38 WeakPolarHBondContact O-CG 3.24Å; D35-Q38 PolarHBondContact O-N 3.35Å; D35-Q38 PolarHBondContact O-NE2 2.81Å; D35-Q38 PolarHBondContact OD1-NE2 2.92Å; Q38-L41 PolarHBondContact O-N 2.95Å; Q38-G42 PolarHBondContact O-N 3.07Å; Q38-V96 HydrophobicContact CB-CG1 4.29Å; Q38-N97 PolarHBondContact OE1-ND2 3.32Å; Q38-C100 HydrophobicContact CG-CB 4.25Å
39E94.6Very high96.4Very high103 Ų10340.7 Ų40.748%0.48122%0.218SC..Hα-helixtrans-62.1-45.6173.6-74.6-177.6153.100111.2D35 Y36 A37 L41 G42 R141D35-E39 WeakPolarHBondContact O-CB 3.26Å; D35-E39 VanDerWaalsContact O-CG 3.31Å; D35-E39 WeakPolarHBondContact O-CG 3.15Å; D35-E39 PolarHBondContact O-N 3.26Å; Y36-E39 PolarHBondContact O-N 3.43Å; A37-E39 VanDerWaalsContact C-N 3.35Å; A37-E39 PolarHBondContact O-N 2.83Å; E39-L41 VanDerWaalsContact C-N 3.31Å; E39-L41 PolarHBondContact O-N 3.04Å; E39-G42 PolarHBondContact O-N 3.27Å; E39-R141 IonicContact OE2-CZ 2.73Å; E39-R141 IonicContact OE2-NH2 2.9Å; E39-R141 PolarHBondContact OE2-NH2 3.1Å
40A94.2Very high96.5Very high75 Ų7541.5 Ų41.562%0.6222%0.223SC*.Hα-helixtrans-63.8-34.8179.600000112.9Y36 A37Y36-A40 WeakPolarHBondContact O-CB 3.25Å; Y36-A40 PolarHBondContact O-N 2.79Å; A37-A40 PolarHBondContact O-N 2.86Å
41L94.4Very high96.6Very high22 Ų2247.7 Ų47.712%0.11525%0.251CS..Hα-helixtrans-75.4-32.5176.4-68.8167000112.7I33 A37 Q38 E39 L44 V65 S67 A70I33-L41 HydrophobicContact CD1-CD1 3.84Å; A37-L41 VanDerWaalsContact O-CG 3.31Å; A37-L41 WeakPolarHBondContact O-CG 3.37Å; A37-L41 PolarHBondContact O-N 3.29Å; A37-L41 VanDerWaalsContact O-N 3.08Å; Q38-L41 PolarHBondContact O-N 2.95Å; E39-L41 VanDerWaalsContact C-N 3.31Å; E39-L41 PolarHBondContact O-N 3.04Å; L41-L44 HydrophobicContact CB-CD2 3.97Å; L41-L44 HydrophobicContact CD1-CD2 4.16Å; L41-V65 HydrophobicContact CD1-CG2 3.54Å; L41-S67 WeakPolarHBondContact O-CB 3.33Å; L41-S67 PolarHBondContact O-OG 3.33Å; L41-A70 HydrophobicContact CD2-CB 4.47Å
42G95.1Very high96.7Very high27 Ų2752 Ų5228%0.27828%0.277SS..  trans78.6-163.7-169.300000112.7Q38 E39 L44 N97Q38-G42 PolarHBondContact O-N 3.07Å; E39-G42 PolarHBondContact O-N 3.27Å; G42-L44 PolarHBondContact O-N 3.49Å; G42-L44 VanDerWaalsContact O-N 3.13Å; G42-N97 PolarHBondContact O-ND2 3.26Å
43E96.5Very high96.7Very high139 Ų13954.2 Ų54.265%0.6530%0.3SS*.SBendtrans-62.6115.6-175.5-176.2171-161.300111.8S67E43-S67 WeakPolarHBondContact O-CA 3.27Å; E43-S67 WeakPolarHBondContact O-CB 3.49Å
44L97.5Very high96.8Very high3 Ų356.1 Ų56.12%0.01631%0.312CS..EExtended strand (participates in β ladder)trans-74.8132.7177.8-62.2-166.6000110.8L41 G42 V47 V65 E66 P93 V96 N97L41-L44 HydrophobicContact CB-CD2 3.97Å; L41-L44 HydrophobicContact CD1-CD2 4.16Å; G42-L44 PolarHBondContact O-N 3.49Å; G42-L44 VanDerWaalsContact O-N 3.13Å; L44-V47 HydrophobicContact CD1-CG2 4.3Å; L44-V65 HydrophobicContact CD1-CB 3.98Å; L44-V65 HydrophobicContact CD1-CG1 4.11Å; L44-V65 HydrophobicContact CD2-CB 4.32Å; L44-E66 CarbonylContact C-O 3.56Å; L44-E66 WeakPolarHBondContact CA-O 3.3Å; L44-P93 HydrophobicContact CB-CB 4.35Å; L44-V96 HydrophobicContact CD1-CB 3.67Å; L44-V96 HydrophobicContact CD1-CG1 3.7Å; L44-V96 HydrophobicContact CD1-CG2 3.99Å; L44-N97 PolarHBondContact N-OD1 2.93Å
45V97.7Very high96.9Very high78 Ų7860.7 Ų60.747%0.47334%0.344SS..EExtended strand (participates in β ladder)trans-114.4-13.3179.6-620000112.5E66 V68 P93V45-E66 PolarHBondContact N-O 2.92Å; V45-V68 HydrophobicContact CG1-CG2 3.79Å; V45-P93 VanDerWaalsContact C-CG 3.46Å; V45-P93 WeakPolarHBondContact O-CG 3.32Å
46Y98Very high97.1Very high115 Ų11558.3 Ų58.345%0.45133%0.331SS..EExtended strand (participates in β ladder)trans-154.4146.9177.1-179.9-107000111.5Q48 E66Y46-Q48 HydrophobicContact CE1-CB 3.86Å; Y46-E66 HydrophobicContact CD1-CG 4.11Å; Y46-E66 PolarHBondContact N-O 2.84Å; Y46-E66 PolarHBondContact O-N 3.26Å
47V98.1Very high97.2Very high8 Ų863.4 Ų63.45%0.04835%0.354CS..EExtended strand (participates in β ladder)trans-138.5117.5174-178.80000108.3L44 L49 V64 V65 L89 P93 V96 L113L44-V47 HydrophobicContact CD1-CG2 4.3Å; V47-L49 HydrophobicContact CG1-CD2 3.67Å; V47-L49 HydrophobicContact CG1-CG 4.01Å; V47-V64 CarbonylContact C-O 3.55Å; V47-V64 WeakPolarHBondContact CA-O 3.31Å; V47-V65 HydrophobicContact CG1-CG1 4.22Å; V47-V65 HydrophobicContact CG2-CG1 4.27Å; V47-L89 HydrophobicContact CB-CB 4.27Å; V47-L89 HydrophobicContact CG1-CD1 4.14Å; V47-L89 HydrophobicContact CG2-CB 4.42Å; V47-L89 HydrophobicContact CG2-CD1 4.49Å; V47-P93 HydrophobicContact CG2-CB 3.92Å; V47-V96 HydrophobicContact CG2-CG2 4.41Å; V47-L113 HydrophobicContact CG1-CD2 3.98Å
48Q98.2Very high97.4Very high98 Ų9863.9 Ų63.946%0.45835%0.353SS..EExtended strand (participates in β ladder)trans-89.3112.4167.9-177.6-179.6-21.300109.1Y46 C63 V64Y46-Q48 HydrophobicContact CE1-CB 3.86Å; Q48-C63 WeakPolarHBondContact O-CA 3.38Å; Q48-C63 WeakPolarHBondContact O-CB 3.16Å; Q48-V64 HydrophobicContact CB-CB 4.08Å; Q48-V64 PolarHBondContact N-O 3.25Å; Q48-V64 PolarHBondContact O-N 3.28Å
49L98.4Very high97.5Very high32 Ų3267.7 Ų67.717%0.16837%0.37CS..PPolyproline II helixtrans-90155.2178-64.3172.7000111.4V47 V85 N86 L89 L113V47-L49 HydrophobicContact CG1-CD2 3.67Å; V47-L49 HydrophobicContact CG1-CG 4.01Å; L49-V85 HydrophobicContact CB-CB 4.37Å; L49-V85 HydrophobicContact CB-CG1 4.43Å; L49-V85 HydrophobicContact CD1-CB 4.1Å; L49-N86 WeakPolarHBondContact CD1-O 3.37Å; L49-L89 HydrophobicContact CD1-CB 4.48Å; L49-L89 HydrophobicContact CD2-CD1 4.25Å; L49-L113 HydrophobicContact CD2-CB 4.01Å; L49-L113 HydrophobicContact CD2-CD2 4.37Å; L49-L113 WeakPolarHBondContact CD2-O 3.46Å
50P98.3Very high97.7Very high16 Ų1664.5 Ų64.510%0.10436%0.361CS..PPolyproline II helixtrans-69.3163.9172.429.3-34.5000110.7S62 C63 V82 V85 Y114P50-S62 WeakPolarHBondContact CB-O 3.11Å; P50-S62 WeakPolarHBondContact CD-O 3.37Å; P50-C63 VanDerWaalsContact CD-SG 3.5Å; P50-V82 HydrophobicContact CB-CG2 4.09Å; P50-V82 HydrophobicContact CG-CG1 4.19Å; P50-V82 HydrophobicContact CG-CG2 3.97Å; P50-V85 HydrophobicContact CG-CG1 4.36Å; P50-V85 VanDerWaalsContact O-CG1 3.3Å; P50-V85 WeakPolarHBondContact O-CG1 3.48Å; P50-Y114 HydrophobicContact CG-CD1 3.93Å; P50-Y114 HydrophobicContact CG-CD2 4.3Å; P50-Y114 HydrophobicContact CG-CE1 4.46Å; P50-Y114 HydrophobicContact CG-CG 3.86Å
51E98.1Very high97.9Very high153 Ų15366 Ų6672%0.71536%0.356SS*.PPolyproline II helixtrans-80.1142.2171.6-63.3-176.7175.100111.4G53 T54E51-G53 PolarHBondContact O-N 3.24Å; E51-T54 PolarHBondContact N-OG1 3.32Å; E51-T54 WeakPolarHBondContact O-CB 3.35Å; E51-T54 PolarHBondContact O-N 3.39Å; E51-T54 PolarHBondContact O-OG1 2.85Å
52V98.6Very high98Very high89 Ų8965.5 Ų65.554%0.53935%0.354SS..THydrogen-bonded Turntrans-60.1132.4169.7174.70000109.6V82 V85V52-V82 HydrophobicContact CG2-CG1 4.47Å; V52-V85 HydrophobicContact CG2-CG1 4.16Å; V52-V85 HydrophobicContact CG2-CG2 4.2Å
53G98.3Very high98.1Very high47 Ų4764.4 Ų64.449%0.48534%0.342SS..THydrogen-bonded Turntrans93.8-11.8-172.600000114.2E51 S55 V82E51-G53 PolarHBondContact O-N 3.24Å; G53-S55 PolarHBondContact O-N 3.34Å; G53-V82 PolarHBondContact N-O 3.13Å
54T98.5Very high98.2Very high46 Ų4658.6 Ų58.628%0.28232%0.315SS..  trans-58.9132174.1-59.40000110.3E51 L56 T81 V82E51-T54 PolarHBondContact N-OG1 3.32Å; E51-T54 WeakPolarHBondContact O-CB 3.35Å; E51-T54 PolarHBondContact O-N 3.39Å; E51-T54 PolarHBondContact O-OG1 2.85Å; T54-L56 HydrophobicContact CG2-CD2 3.91Å; T54-L56 HydrophobicContact CG2-CG 4.19Å; T54-T81 CarbonylContact O-C 3.54Å; T54-T81 WeakPolarHBondContact O-CA 3.46Å; T54-V82 PolarHBondContact O-N 3.35Å
55S98.5Very high98.2Very high96 Ų9658.5 Ų58.567%0.67132%0.315SS*.EExtended strand (participates in β ladder)trans-94.2116.3172.5-660000109.7G53 G80G53-S55 PolarHBondContact O-N 3.34Å; S55-G80 WeakPolarHBondContact CA-O 3.44Å
56L98.6Very high98.3Very high14 Ų1458.2 Ų58.27%0.07331%0.308CS..EExtended strand (participates in β ladder)trans-104.2144-179.4-63.3169.7000109.9T54 S79 G80 V82 Y114T54-L56 HydrophobicContact CG2-CD2 3.91Å; T54-L56 HydrophobicContact CG2-CG 4.19Å; L56-S79 VanDerWaalsContact O-CA 3.28Å; L56-S79 WeakPolarHBondContact O-CA 3.42Å; L56-G80 PolarHBondContact N-O 3.08Å; L56-G80 PolarHBondContact O-N 3.37Å; L56-V82 HydrophobicContact CD1-CG2 3.59Å; L56-V82 HydrophobicContact CG-CG2 4.21Å; L56-Y114 HydrophobicContact CD1-CE2 3.73Å
57K98.6Very high98.2Very high138 Ų13853.3 Ų53.360%0.629%0.291SS*.  trans-96.8152.8165.3-68.4-62.4-174.1-177.80109.3F59 A60K57-F59 PolarHBondContact O-N 3.47Å; K57-A60 HydrophobicContact CB-CB 4.25Å; K57-A60 WeakPolarHBondContact O-CB 3.27Å; K57-A60 PolarHBondContact O-N 3.37Å
58Q98.6Very high98.1Very high24 Ų2458.9 Ų58.911%0.11233%0.325CS..THydrogen-bonded Turntrans-52.4129.8170.5175.1171.86200109.8A60 P77 S79 E123 K126Q58-A60 PolarHBondContact O-N 3.21Å; Q58-P77 WeakPolarHBondContact CG-O 3.37Å; Q58-P77 PolarHBondContact NE2-O 3.02Å; Q58-S79 PolarHBondContact N-OG 2.71Å; Q58-E123 WeakPolarHBondContact CB-OE2 3.45Å; Q58-E123 PolarHBondContact NE2-O 3.02Å; Q58-K126 VanDerWaalsContact OE1-CD 3.22Å; Q58-K126 VanDerWaalsContact OE1-NZ 3.11Å
59F98.4Very high97.8Very high99 Ų9963.4 Ų63.443%0.43434%0.343SS..THydrogen-bonded Turntrans64.613.9-176.1-44.9-45.5000115.7T16 K57 Y75 S76 L127T16-F59 HydrophobicContact CG2-CE1 4.06Å; K57-F59 PolarHBondContact O-N 3.47Å; F59-Y75 WeakPolarHBondContact O-CD1 3.5Å; F59-S76 WeakPolarHBondContact CA-O 3.31Å; F59-S76 PolarHBondContact N-O 2.96Å; F59-L127 HydrophobicContact CE1-CD2 4.29Å; F59-L127 HydrophobicContact CZ-CD2 4.46Å
60A98.3Very high97.5Very high35 Ų3564 Ų6429%0.28935%0.352SS..  trans-75146.8165.100000110.4K57 Q58 S62 Y75 S76K57-A60 HydrophobicContact CB-CB 4.25Å; K57-A60 WeakPolarHBondContact O-CB 3.27Å; K57-A60 PolarHBondContact O-N 3.37Å; Q58-A60 PolarHBondContact O-N 3.21Å; A60-S62 PolarHBondContact O-N 3.32Å; A60-Y75 CarbonylContact O-C 3.49Å; A60-Y75 WeakPolarHBondContact O-CA 3.26Å; A60-S76 PolarHBondContact O-N 2.96Å
61E98.3Very high97.4Very high108 Ų10866.4 Ų66.451%0.50537%0.374SS..EExtended strand (participates in β ladder)trans-55.8137.2170.7-171.6-173.5133.600110.1D73 Y75E61-D73 HydrophobicContact CG-CB 4.25Å; E61-Y75 HydrophobicContact CB-CD1 4.36Å; E61-Y75 HydrophobicContact CB-CE1 4.32Å
62S98.3Very high97.3Very high11 Ų1161.6 Ų61.68%0.07736%0.357CS..EExtended strand (participates in β ladder)trans-132.7-38.8-174.665.60000113.5P50 A60 V74 Y114P50-S62 WeakPolarHBondContact CB-O 3.11Å; P50-S62 WeakPolarHBondContact CD-O 3.37Å; A60-S62 PolarHBondContact O-N 3.32Å; S62-V74 PolarHBondContact N-O 3Å; S62-V74 PolarHBondContact OG-O 2.81Å; S62-Y114 VanDerWaalsContact CB-OH 3.24Å; S62-Y114 WeakPolarHBondContact CB-OH 3.2Å; S62-Y114 WeakPolarHBondContact OG-CE1 3.15Å; S62-Y114 PolarHBondContact OG-OH 3.49Å
63C97.2Very high97.3Very high4 Ų460.3 Ų60.33%0.02735%0.347CS..EExtended strand (participates in β ladder)trans-138.7165.2177.9-44.20000109.4Q48 P50 V74 L113 Y114Q48-C63 WeakPolarHBondContact O-CA 3.38Å; Q48-C63 WeakPolarHBondContact O-CB 3.16Å; P50-C63 VanDerWaalsContact CD-SG 3.5Å; C63-V74 HydrophobicContact CB-CB 3.94Å; C63-V74 HydrophobicContact CB-CG2 4.29Å; C63-V74 PolarHBondContact N-O 3.16Å; C63-V74 PolarHBondContact O-N 2.82Å; C63-L113 HydrophobicContact CB-CD1 4.49Å; C63-Y114 WeakPolarHBondContact SG-CD1 3.16Å; C63-Y114 WeakPolarHBondContact SG-CE1 3.33Å
64V98.2Very high97.3Very high16 Ų1658.2 Ų58.210%0.09733%0.325CS..EExtended strand (participates in β ladder)trans-121134.5162.6-177.90000108V47 Q48 E66V47-V64 CarbonylContact C-O 3.55Å; V47-V64 WeakPolarHBondContact CA-O 3.31Å; Q48-V64 HydrophobicContact CB-CB 4.08Å; Q48-V64 PolarHBondContact N-O 3.25Å; Q48-V64 PolarHBondContact O-N 3.28Å; V64-E66 HydrophobicContact CG1-CG 4.14Å
65V98Very high97.3Very high1 Ų159.7 Ų59.71%0.00633%0.326CS..EExtended strand (participates in β ladder)trans-116.4135.1173.7-67.80000109.6L41 L44 V47 A71 S72 V74L41-V65 HydrophobicContact CD1-CG2 3.54Å; L44-V65 HydrophobicContact CD1-CB 3.98Å; L44-V65 HydrophobicContact CD1-CG1 4.11Å; L44-V65 HydrophobicContact CD2-CB 4.32Å; V47-V65 HydrophobicContact CG1-CG1 4.22Å; V47-V65 HydrophobicContact CG2-CG1 4.27Å; V65-A71 WeakPolarHBondContact O-CA 3.49Å; V65-S72 WeakPolarHBondContact CG2-O 3.42Å; V65-S72 PolarHBondContact N-O 3.2Å; V65-S72 PolarHBondContact O-N 3.05Å; V65-V74 HydrophobicContact CB-CG2 4.43Å; V65-V74 HydrophobicContact CG1-CG2 3.87Å; V65-V74 HydrophobicContact CG2-CG2 3.8Å
66E98Very high97.3Very high72 Ų7255.1 Ų55.134%0.33629%0.294SS..EExtended strand (participates in β ladder)trans-128.8135.5-178.4-52.8-175.1-159.500111.6L44 V45 Y46 V64 A70 A71L44-E66 CarbonylContact C-O 3.56Å; L44-E66 WeakPolarHBondContact CA-O 3.3Å; V45-E66 PolarHBondContact N-O 2.92Å; Y46-E66 HydrophobicContact CD1-CG 4.11Å; Y46-E66 PolarHBondContact N-O 2.84Å; Y46-E66 PolarHBondContact O-N 3.26Å; V64-E66 HydrophobicContact CG1-CG 4.14Å; E66-A70 WeakPolarHBondContact CA-O 3.39Å; E66-A71 HydrophobicContact CG-CB 3.81Å
67S96.6Very high97.3Very high12 Ų1254.4 Ų54.48%0.08429%0.29CS..EExtended strand (participates in β ladder)trans-109.1175.8165.379.50000110L41 E43 K69 A70L41-S67 WeakPolarHBondContact O-CB 3.33Å; L41-S67 PolarHBondContact O-OG 3.33Å; E43-S67 WeakPolarHBondContact O-CA 3.27Å; E43-S67 WeakPolarHBondContact O-CB 3.49Å; S67-K69 PolarHBondContact O-N 2.63Å; S67-K69 VanDerWaalsContact O-N 3.11Å; S67-K69 PolarHBondContact OG-N 2.72Å; S67-K69 VanDerWaalsContact OG-N 3.1Å; S67-A70 PolarHBondContact N-O 2.98Å; S67-A70 PolarHBondContact OG-N 2.94Å; S67-A70 VanDerWaalsContact OG-N 3.12Å; S67-A70 PolarHBondContact OG-O 3Å
68V95.1Very high97.3Very high125 Ų12547.9 Ų47.976%0.75826%0.262SS*.SBendtrans-59.3-22.5172178.90000112.3V45V45-V68 HydrophobicContact CG1-CG2 3.79Å
69K92.4Very high97.3Very high193 Ų19346.8 Ų46.884%0.83926%0.257SS*.SBendtrans-106.6-26.6-171.5-64-179.1-179.4175.90113.9S67S67-K69 PolarHBondContact O-N 2.63Å; S67-K69 VanDerWaalsContact O-N 3.11Å; S67-K69 PolarHBondContact OG-N 2.72Å; S67-K69 VanDerWaalsContact OG-N 3.1Å
70A92.9Very high97.3Very high44 Ų4442.2 Ų42.236%0.36424%0.238SC..  trans-153.8151.8-171.300000111.7L41 E66 S67L41-A70 HydrophobicContact CD2-CB 4.47Å; E66-A70 WeakPolarHBondContact CA-O 3.39Å; S67-A70 PolarHBondContact N-O 2.98Å; S67-A70 PolarHBondContact OG-N 2.94Å; S67-A70 VanDerWaalsContact OG-N 3.12Å; S67-A70 PolarHBondContact OG-O 3Å
71A95.4Very high97.4Very high67 Ų6743.2 Ų43.255%0.55424%0.24SC*.EExtended strand (participates in β ladder)trans-112142.9162.500000108.2V65 E66V65-A71 WeakPolarHBondContact O-CA 3.49Å; E66-A71 HydrophobicContact CG-CB 3.81Å
72S97.5Very high97.4Very high52 Ų5238.2 Ų38.236%0.36422%0.217SC..EExtended strand (participates in β ladder)trans-139.1135.7175.5-1730000110.7V65V65-S72 WeakPolarHBondContact CG2-O 3.42Å; V65-S72 PolarHBondContact N-O 3.2Å; V65-S72 PolarHBondContact O-N 3.05Å
73D98.2Very high97.4Very high63 Ų6340.9 Ų40.934%0.33723%0.233SC..EExtended strand (participates in β ladder)trans-69148165.8-55.6-36.4000109.4E61 Y75E61-D73 HydrophobicContact CG-CB 4.25Å; D73-Y75 HydrophobicContact CB-CE1 4.35Å; D73-Y75 HydrophobicContact CB-CE2 4.21Å
74V98.3Very high97.4Very high2 Ų244.6 Ų44.61%0.01225%0.25CS..EExtended strand (participates in β ladder)trans-120.9127.4174.2-179.10000108.3E20 I33 S62 C63 V65 L113E20-V74 HydrophobicContact CG-CG1 3.56Å; I33-V74 HydrophobicContact CG2-CG1 3.92Å; I33-V74 HydrophobicContact CG2-CG2 3.9Å; S62-V74 PolarHBondContact N-O 3Å; S62-V74 PolarHBondContact OG-O 2.81Å; C63-V74 HydrophobicContact CB-CB 3.94Å; C63-V74 HydrophobicContact CB-CG2 4.29Å; C63-V74 PolarHBondContact N-O 3.16Å; C63-V74 PolarHBondContact O-N 2.82Å; V65-V74 HydrophobicContact CB-CG2 4.43Å; V65-V74 HydrophobicContact CG1-CG2 3.87Å; V65-V74 HydrophobicContact CG2-CG2 3.8Å; V74-L113 HydrophobicContact CG1-CD1 3.89Å; V74-L113 HydrophobicContact CG2-CD1 4.43Å
75Y98.6Very high97.5Very high77 Ų7744.8 Ų44.830%0.30225%0.251SS..EExtended strand (participates in β ladder)trans-100.6146.3-174.6-55.3-83.4000111.9E20 F59 A60 E61 D73 P77E20-Y75 WeakPolarHBondContact CG-O 3.35Å; E20-Y75 PolarHBondContact OE1-N 2.98Å; F59-Y75 WeakPolarHBondContact O-CD1 3.5Å; A60-Y75 CarbonylContact O-C 3.49Å; A60-Y75 WeakPolarHBondContact O-CA 3.26Å; E61-Y75 HydrophobicContact CB-CD1 4.36Å; E61-Y75 HydrophobicContact CB-CE1 4.32Å; D73-Y75 HydrophobicContact CB-CE1 4.35Å; D73-Y75 HydrophobicContact CB-CE2 4.21Å; Y75-P77 VanDerWaalsContact O-CD 3.28Å; Y75-P77 WeakPolarHBondContact O-CD 3.47Å
76S98.7Very high97.4Very high0 Ų045.1 Ų45.10%025%0.253CS..  trans-68.5122.4176-168.90000110.8F59 A60 V78 Y114F59-S76 WeakPolarHBondContact CA-O 3.31Å; F59-S76 PolarHBondContact N-O 2.96Å; A60-S76 PolarHBondContact O-N 2.96Å; S76-V78 PolarHBondContact O-N 3.38Å; S76-V78 PolarHBondContact OG-O 3.19Å; S76-Y114 WeakPolarHBondContact CA-OH 3.43Å; S76-Y114 WeakPolarHBondContact CB-OH 3.46Å; S76-Y114 PolarHBondContact OG-OH 3.37Å
77P98.6Very high97.4Very high0 Ų046.5 Ų46.50%026%0.262CS..SBendtrans-65.1-21.1177.8-24.135.8000113.6T16 E20 V22 V31 Q58 Y75 L127T16-P77 HydrophobicContact CG2-CB 3.76Å; T16-P77 HydrophobicContact CG2-CG 4.02Å; E20-P77 HydrophobicContact CB-CG 3.86Å; V22-P77 HydrophobicContact CB-CB 4.08Å; V22-P77 HydrophobicContact CB-CG 4.16Å; V22-P77 HydrophobicContact CG1-CB 3.99Å; V31-P77 HydrophobicContact CG1-CG 4.06Å; V31-P77 HydrophobicContact CG2-CG 4.49Å; Q58-P77 WeakPolarHBondContact CG-O 3.37Å; Q58-P77 PolarHBondContact NE2-O 3.02Å; Y75-P77 VanDerWaalsContact O-CD 3.28Å; Y75-P77 WeakPolarHBondContact O-CD 3.47Å; P77-L127 HydrophobicContact CB-CD1 4.09Å; P77-L127 HydrophobicContact CB-CD2 4.34Å
78V98.5Very high97.4Very high0 Ų048.9 Ų48.90%028%0.279CS..SBendtrans-145159.2-173.8-65.90000111.2V22 S76 L116 L118 L124 L127V22-V78 HydrophobicContact CG1-CG1 4.43Å; V22-V78 HydrophobicContact CG2-CG2 4.5Å; S76-V78 PolarHBondContact O-N 3.38Å; S76-V78 PolarHBondContact OG-O 3.19Å; V78-L116 HydrophobicContact CG2-CD1 3.6Å; V78-L116 HydrophobicContact CG2-CD2 3.78Å; V78-L116 HydrophobicContact CG2-CG 4.28Å; V78-L118 HydrophobicContact CG2-CG 4.19Å; V78-L124 HydrophobicContact CG1-CD2 3.63Å; V78-L127 HydrophobicContact CG1-CD1 4.01Å
79S98.7Very high97.5Very high2 Ų243 Ų431%0.01424%0.244CC..  trans-76.8139.5169.5-60.20000110.8L56 Q58 S119 E123L56-S79 VanDerWaalsContact O-CA 3.28Å; L56-S79 WeakPolarHBondContact O-CA 3.42Å; Q58-S79 PolarHBondContact N-OG 2.71Å; S79-S119 VanDerWaalsContact CB-OG 3.24Å; S79-S119 WeakPolarHBondContact CB-OG 3.41Å; S79-S119 PolarHBondContact O-N 2.82Å; S79-S119 PolarHBondContact O-OG 3.08Å; S79-E123 WeakPolarHBondContact CB-OE2 3.39Å; S79-E123 PolarHBondContact N-OE2 3.05Å; S79-E123 VanDerWaalsContact OG-CD 3.29Å; S79-E123 PolarHBondContact OG-OE1 3.18Å; S79-E123 PolarHBondContact OG-OE2 2.89Å
80G98.6Very high97.6Very high3 Ų340.9 Ų40.93%0.03124%0.237CC..EExtended strand (participates in β ladder)trans171.9-173.617700000114S55 L56 K117S55-G80 WeakPolarHBondContact CA-O 3.44Å; L56-G80 PolarHBondContact N-O 3.08Å; L56-G80 PolarHBondContact O-N 3.37Å; G80-K117 CarbonylContact C-O 3.5Å; G80-K117 WeakPolarHBondContact CA-O 3.22Å
81T98.8Very high97.8Very high56 Ų5647.2 Ų47.234%0.34426%0.259SS..EExtended strand (participates in β ladder)trans-111.3128.2176.8-54.80000109.6T54 T83 L116 K117T54-T81 CarbonylContact O-C 3.54Å; T54-T81 WeakPolarHBondContact O-CA 3.46Å; T81-T83 PolarHBondContact O-N 3.3Å; T81-L116 CarbonylContact O-C 3.52Å; T81-L116 WeakPolarHBondContact O-CA 3.49Å; T81-L116 WeakPolarHBondContact O-CB 3.42Å; T81-K117 PolarHBondContact N-O 2.89Å; T81-K117 PolarHBondContact O-N 3.45Å
82V98.8Very high97.8Very high2 Ų246.7 Ų46.71%0.01225%0.249CC..EExtended strand (participates in β ladder)trans-62.3129.7175.8-178.70000109.2P50 V52 G53 T54 L56 V85 Y114 K115P50-V82 HydrophobicContact CB-CG2 4.09Å; P50-V82 HydrophobicContact CG-CG1 4.19Å; P50-V82 HydrophobicContact CG-CG2 3.97Å; V52-V82 HydrophobicContact CG2-CG1 4.47Å; G53-V82 PolarHBondContact N-O 3.13Å; T54-V82 PolarHBondContact O-N 3.35Å; L56-V82 HydrophobicContact CD1-CG2 3.59Å; L56-V82 HydrophobicContact CG-CG2 4.21Å; V82-V85 HydrophobicContact CG1-CG1 3.88Å; V82-Y114 HydrophobicContact CG1-CD2 4.43Å; V82-Y114 HydrophobicContact CG2-CD2 4.09Å; V82-Y114 HydrophobicContact CG2-CE2 4.36Å; V82-K115 WeakPolarHBondContact CA-O 3.24Å
83T98.5Very high97.8Very high67 Ų6745 Ų4541%0.41124%0.237SC..EExtended strand (participates in β ladder)trans-116.5-28.1-175.149.70000112.8T81 K115 K117T81-T83 PolarHBondContact O-N 3.3Å; T83-K115 PolarHBondContact N-O 2.82Å; T83-K115 PolarHBondContact OG1-O 2.82Å; T83-K115 VanDerWaalsContact OG1-O 3.06Å; T83-K117 HydrophobicContact CG2-CB 4.06Å
84E98.4Very high97.7Very high83 Ų8342.8 Ų42.839%0.38823%0.226SC..EExtended strand (participates in β ladder)trans-154.3150.4-178.7-161.8-174.2152.900108.7W112 Y114 K115E84-W112 HydrophobicContact CB-CH2 4.46Å; E84-W112 HydrophobicContact CG-CH2 3.95Å; E84-Y114 CarbonylContact O-C 3.54Å; E84-Y114 WeakPolarHBondContact O-CA 3.33Å; E84-Y114 WeakPolarHBondContact O-CB 3.28Å; E84-K115 HydrophobicContact CB-CB 4.11Å; E84-K115 HydrophobicContact CB-CD 4.23Å; E84-K115 HydrophobicContact CB-CG 4.33Å; E84-K115 PolarHBondContact N-O 2.88Å; E84-K115 PolarHBondContact O-N 3.46Å; E84-K115 IonicContact OE1-NZ 3.86Å; E84-K115 WeakPolarHBondContact OE2-CD 3.17Å; E84-K115 WeakPolarHBondContact OE2-CE 3.35Å; E84-K115 IonicContact OE2-NZ 3.68Å; E84-K115 PolarHBondContact OE2-NZ 3.1Å
85V98.4Very high97.5Very high20 Ų2044.3 Ų44.312%0.12123%0.234CC..EExtended strand (participates in β ladder)trans-131.3149.4175.8-65.20000109.1L49 P50 V52 V82 N87L49-V85 HydrophobicContact CB-CB 4.37Å; L49-V85 HydrophobicContact CB-CG1 4.43Å; L49-V85 HydrophobicContact CD1-CB 4.1Å; P50-V85 HydrophobicContact CG-CG1 4.36Å; P50-V85 VanDerWaalsContact O-CG1 3.3Å; P50-V85 WeakPolarHBondContact O-CG1 3.48Å; V52-V85 HydrophobicContact CG2-CG1 4.16Å; V52-V85 HydrophobicContact CG2-CG2 4.2Å; V82-V85 HydrophobicContact CG1-CG1 3.88Å; V85-N87 WeakPolarHBondContact CG2-OD1 3.31Å; V85-N87 PolarHBondContact O-N 2.83Å; V85-N87 VanDerWaalsContact O-N 3.07Å
86N97.4Very high97.4Very high7 Ų740.6 Ų40.64%0.03722%0.219CC..  trans-83.383.3-179-1721.7000111.2L49 S88 L89 K110 W112 L113L49-N86 WeakPolarHBondContact CD1-O 3.37Å; N86-S88 PolarHBondContact O-N 2.91Å; N86-S88 WeakPolarHBondContact OD1-CB 3.28Å; N86-S88 PolarHBondContact OD1-N 3.15Å; N86-S88 PolarHBondContact OD1-OG 3.42Å; N86-L89 HydrophobicContact CB-CD1 4.08Å; N86-L89 HydrophobicContact CB-CG 4.08Å; N86-L89 WeakPolarHBondContact O-CB 3.43Å; N86-L89 WeakPolarHBondContact O-CG 3.49Å; N86-L89 PolarHBondContact O-N 3.19Å; N86-K110 PolarHBondContact ND2-O 2.81Å; N86-W112 HydrophobicContact CB-CD2 3.88Å; N86-W112 HydrophobicContact CB-CE3 3.99Å; N86-W112 HydrophobicContact CB-CH2 3.84Å; N86-W112 HydrophobicContact CB-CZ2 3.72Å; N86-W112 HydrophobicContact CB-CZ3 3.97Å; N86-W112 WeakPolarHBondContact CB-O 3.31Å; N86-W112 PolarHBondContact ND2-O 2.79Å; N86-L113 PolarHBondContact N-O 3.11Å
87N97.2Very high97.2Very high101 Ų10142.1 Ų42.154%0.5423%0.227SC..THydrogen-bonded Turntrans-57-18.9179.6-60.9-42000113.5V85 L89 E90V85-N87 WeakPolarHBondContact CG2-OD1 3.31Å; V85-N87 PolarHBondContact O-N 2.83Å; V85-N87 VanDerWaalsContact O-N 3.07Å; N87-L89 PolarHBondContact O-N 3.23Å; N87-L89 VanDerWaalsContact O-N 3.16Å; N87-E90 WeakPolarHBondContact O-CB 3.16Å; N87-E90 PolarHBondContact O-N 3.26Å
88S96.4Very high96.9Very high63 Ų6349.1 Ų49.144%0.44126%0.258SS..Hα-helixtrans-61.3-22.1174.7-36.30000112.9N86 E90 T92N86-S88 PolarHBondContact O-N 2.91Å; N86-S88 WeakPolarHBondContact OD1-CB 3.28Å; N86-S88 PolarHBondContact OD1-N 3.15Å; N86-S88 PolarHBondContact OD1-OG 3.42Å; S88-E90 VanDerWaalsContact C-N 3.31Å; S88-T92 PolarHBondContact O-N 2.81Å
89L97.2Very high96.6Very high2 Ų250.3 Ų50.31%0.0127%0.266CS..Hα-helixtrans-76.1-16.9-179.6-60.4-177.8000113.5V47 L49 N86 N87 E91 P93 L95 V96 L113V47-L89 HydrophobicContact CB-CB 4.27Å; V47-L89 HydrophobicContact CG1-CD1 4.14Å; V47-L89 HydrophobicContact CG2-CB 4.42Å; V47-L89 HydrophobicContact CG2-CD1 4.49Å; L49-L89 HydrophobicContact CD1-CB 4.48Å; L49-L89 HydrophobicContact CD2-CD1 4.25Å; N86-L89 HydrophobicContact CB-CD1 4.08Å; N86-L89 HydrophobicContact CB-CG 4.08Å; N86-L89 WeakPolarHBondContact O-CB 3.43Å; N86-L89 WeakPolarHBondContact O-CG 3.49Å; N86-L89 PolarHBondContact O-N 3.19Å; N87-L89 PolarHBondContact O-N 3.23Å; N87-L89 VanDerWaalsContact O-N 3.16Å; L89-E91 VanDerWaalsContact C-N 3.33Å; L89-P93 WeakPolarHBondContact O-CD 3.19Å; L89-L95 HydrophobicContact CD2-CB 3.79Å; L89-L95 HydrophobicContact CD2-CD1 4.33Å; L89-V96 HydrophobicContact CD1-CG2 4.13Å; L89-V96 HydrophobicContact CD2-CG2 3.9Å; L89-L113 HydrophobicContact CD1-CD2 3.61Å
90E95.3Very high96.1Very high147 Ų14750.6 Ų50.669%0.68727%0.268SS*.Hα-helixtrans-64.6-40.9173.2-64.6-179.3-165.100111.1N87 S88N87-E90 WeakPolarHBondContact O-CB 3.16Å; N87-E90 PolarHBondContact O-N 3.26Å; S88-E90 VanDerWaalsContact C-N 3.31Å
91E95.8Very high95.5Very high178 Ų17852.1 Ų52.183%0.83228%0.275SS*.Hα-helixtrans-93.8-32.4179.2-61.8-173163.700112.6L89L89-E91 VanDerWaalsContact C-N 3.33Å
92T96.6Very high94.3Very high55 Ų5551.1 Ų51.134%0.33727%0.268SS..  trans-133.168.5-173.7-44.80000112.1S88 S94 L95S88-T92 PolarHBondContact O-N 2.81Å; T92-S94 PolarHBondContact O-N 3.19Å; T92-L95 HydrophobicContact CG2-CD1 4.35Å; T92-L95 HydrophobicContact CG2-CD2 4.33Å; T92-L95 HydrophobicContact CG2-CG 3.76Å; T92-L95 WeakPolarHBondContact O-CB 3.41Å; T92-L95 VanDerWaalsContact O-CG 3.31Å; T92-L95 WeakPolarHBondContact O-CG 3.48Å; T92-L95 PolarHBondContact O-N 3.06Å
93P97.2Very high92.4Very high18 Ų1858 Ų5812%0.11730%0.304CS..THydrogen-bonded Turntrans-60.1-30178.622.6-32.6000112.7L44 V45 V47 L89 L95 V96L44-P93 HydrophobicContact CB-CB 4.35Å; V45-P93 VanDerWaalsContact C-CG 3.46Å; V45-P93 WeakPolarHBondContact O-CG 3.32Å; V47-P93 HydrophobicContact CG2-CB 3.92Å; L89-P93 WeakPolarHBondContact O-CD 3.19Å; P93-L95 PolarHBondContact O-N 2.81Å; P93-V96 PolarHBondContact O-N 2.95Å
94S95.4Very high90.1Very high16 Ų1658.7 Ų58.711%0.11233%0.325CS..THydrogen-bonded Turntrans-60.4-8.5174.369.10000115T92 V96 N97 K98T92-S94 PolarHBondContact O-N 3.19Å; S94-V96 PolarHBondContact O-N 2.82Å; S94-N97 PolarHBondContact O-N 2.83Å; S94-K98 WeakPolarHBondContact O-CG 3.23Å; S94-K98 PolarHBondContact O-N 3.49Å; S94-K98 PolarHBondContact OG-NZ 2.86Å
95L95.2Very high87.7Confident33 Ų3357.9 Ų57.917%0.17333%0.328CS..Hα-helixtrans-60-31.6169.2-74174.6000112.1L89 T92 P93 K98 S99 K110 G111L89-L95 HydrophobicContact CD2-CB 3.79Å; L89-L95 HydrophobicContact CD2-CD1 4.33Å; T92-L95 HydrophobicContact CG2-CD1 4.35Å; T92-L95 HydrophobicContact CG2-CD2 4.33Å; T92-L95 HydrophobicContact CG2-CG 3.76Å; T92-L95 WeakPolarHBondContact O-CB 3.41Å; T92-L95 VanDerWaalsContact O-CG 3.31Å; T92-L95 WeakPolarHBondContact O-CG 3.48Å; T92-L95 PolarHBondContact O-N 3.06Å; P93-L95 PolarHBondContact O-N 2.81Å; L95-K98 PolarHBondContact O-N 3.01Å; L95-S99 CarbonylContact O-C 3.5Å; L95-S99 PolarHBondContact O-N 2.84Å; L95-K110 HydrophobicContact CD2-CB 4.14Å; L95-G111 WeakPolarHBondContact O-CA 3.39Å
96V96.1Very high85.5Confident0 Ų064.1 Ų64.10%037%0.367CS..Hα-helixtrans-60.8-47.2173.3-179.40000109.9I33 Q38 L44 V47 L89 P93 S94 K98 C100 L113I33-V96 HydrophobicContact CD1-CG1 3.61Å; I33-V96 HydrophobicContact CG1-CG1 3.57Å; Q38-V96 HydrophobicContact CB-CG1 4.29Å; L44-V96 HydrophobicContact CD1-CB 3.67Å; L44-V96 HydrophobicContact CD1-CG1 3.7Å; L44-V96 HydrophobicContact CD1-CG2 3.99Å; V47-V96 HydrophobicContact CG2-CG2 4.41Å; L89-V96 HydrophobicContact CD1-CG2 4.13Å; L89-V96 HydrophobicContact CD2-CG2 3.9Å; P93-V96 PolarHBondContact O-N 2.95Å; S94-V96 PolarHBondContact O-N 2.82Å; V96-K98 PolarHBondContact O-N 2.75Å; V96-C100 WeakPolarHBondContact O-CA 3.5Å; V96-C100 WeakPolarHBondContact O-CB 3.39Å; V96-C100 PolarHBondContact O-N 3.37Å; V96-C100 VanDerWaalsContact O-N 3.08Å; V96-L113 HydrophobicContact CG2-CD2 4.05Å
97N95Very high83.6Confident31 Ų3170 Ų7017%0.16640%0.398CS..Hα-helixtrans-66.1-37.8177.3-57.2109000113Q38 G42 L44 S94Q38-N97 PolarHBondContact OE1-ND2 3.32Å; G42-N97 PolarHBondContact O-ND2 3.26Å; L44-N97 PolarHBondContact N-OD1 2.93Å; S94-N97 PolarHBondContact O-N 2.83Å
98K91.8Very high82.1Confident148 Ų14871.5 Ų71.564%0.64341%0.405SS*.Hα-helixtrans-82.7-23.4-172.8-69167.6-176.2158.40113.9S94 L95 V96S94-K98 WeakPolarHBondContact O-CG 3.23Å; S94-K98 PolarHBondContact O-N 3.49Å; S94-K98 PolarHBondContact OG-NZ 2.86Å; L95-K98 PolarHBondContact O-N 3.01Å; V96-K98 PolarHBondContact O-N 2.75Å
99S91.6Very high81.3Confident25 Ų2568.9 Ų68.918%0.17539%0.387CS..Hα-helixtrans-15848.4-169.7-165.20000111.3L95 L101 A109 K110 G111L95-S99 CarbonylContact O-C 3.5Å; L95-S99 PolarHBondContact O-N 2.84Å; S99-L101 VanDerWaalsContact C-N 3.29Å; S99-L101 PolarHBondContact O-N 3.06Å; S99-A109 WeakPolarHBondContact O-CB 3.49Å; S99-K110 PolarHBondContact O-N 3.38Å; S99-K110 PolarHBondContact OG-N 3.22Å; S99-G111 VanDerWaalsContact O-CA 3.31Å; S99-G111 WeakPolarHBondContact O-CA 3.43Å; S99-G111 PolarHBondContact O-N 2.82Å
100C88.9Confident81Confident8 Ų875.1 Ų75.15%0.05441%0.414CS..SBendtrans-63.7-33174.454.50000112.8W21 I33 Q38 V96W21-C100 WeakPolarHBondContact CZ2-O 3.41Å; W21-C100 PolarHBondContact NE1-O 3.28Å; I33-C100 WeakPolarHBondContact O-CB 3.28Å; Q38-C100 HydrophobicContact CG-CB 4.25Å; V96-C100 WeakPolarHBondContact O-CA 3.5Å; V96-C100 WeakPolarHBondContact O-CB 3.39Å; V96-C100 PolarHBondContact O-N 3.37Å; V96-C100 VanDerWaalsContact O-N 3.08Å
101L85.2Confident81.1Confident34 Ų3468.1 Ų68.118%0.17838%0.382CS..SBendtrans-130155.3-177.2-64.7174.7000111W21 D35 S99 N103W21-L101 HydrophobicContact CD2-CD2 4.21Å; W21-L101 HydrophobicContact CG-CD2 4.02Å; D35-L101 HydrophobicContact CB-CD1 4.12Å; S99-L101 VanDerWaalsContact C-N 3.29Å; S99-L101 PolarHBondContact O-N 3.06Å; L101-N103 PolarHBondContact O-OD1 3.49Å; L101-N103 VanDerWaalsContact O-OD1 3.13Å
102D72.8Confident81.1Confident36 Ų3661.4 Ų61.419%0.19335%0.348CS..  trans-72.7126.4170.1-48.8-42.5000108.4R13 G104 L108 A109R13-D102 IonicContact NH2-OD2 3.8Å; R13-D102 PolarHBondContact NH2-OD2 2.83Å; D102-G104 PolarHBondContact O-N 2.54Å; D102-L108 VanDerWaalsContact OD1-C 3.25Å; D102-L108 VanDerWaalsContact OD1-CA 3.24Å; D102-L108 WeakPolarHBondContact OD1-CA 3.36Å; D102-A109 WeakPolarHBondContact OD1-CA 3.43Å; D102-A109 VanDerWaalsContact OD1-CB 3.31Å; D102-A109 WeakPolarHBondContact OD1-CB 3.43Å; D102-A109 PolarHBondContact OD1-N 3.12Å
103N59.3Low81.2Confident145 Ų14558.8 Ų58.878%0.77533%0.332SS*.  trans-75.532-176.3-48.3-2.4000113L101 S105L101-N103 PolarHBondContact O-OD1 3.49Å; L101-N103 VanDerWaalsContact O-OD1 3.13Å; N103-S105 PolarHBondContact O-N 3.01Å; N103-S105 VanDerWaalsContact O-N 3.11Å
104G51.8Low81.2Confident82 Ų8257.9 Ų57.985%0.84533%0.327SS*.SBendtrans68.90.1-168.400000114.3D102D102-G104 PolarHBondContact O-N 2.54Å
105S46.8Very low81.4Confident66 Ų6659.1 Ų59.146%0.46233%0.33SS..SBendtrans-87.6148.6170.1-168.90000109.5N103 L107N103-S105 PolarHBondContact O-N 3.01Å; N103-S105 VanDerWaalsContact O-N 3.11Å; S105-L107 PolarHBondContact O-N 3.48Å
106T52.2Low81.5Confident152 Ų15257.5 Ų57.593%0.93332%0.322SS*.SBendtrans-65.26.3179.838.30000114.6
107L56.8Low81.6Confident131 Ų13163.1 Ų63.169%0.68635%0.346SS*.SBendtrans-82.9122.1170.9-76.9163.6000109.4S105S105-L107 PolarHBondContact O-N 3.48Å
108L66.7Low81.8Confident132 Ų13262.2 Ų62.269%0.69134%0.341SS*.PPolyproline II helixtrans-58.6137.9169.9-67.2168.8000110.5D102 K110D102-L108 VanDerWaalsContact OD1-C 3.25Å; D102-L108 VanDerWaalsContact OD1-CA 3.24Å; D102-L108 WeakPolarHBondContact OD1-CA 3.36Å; L108-K110 PolarHBondContact O-N 3.44Å
109A80.4Confident82.1Confident7 Ų758 Ų586%0.05833%0.331CS..PPolyproline II helixtrans-54.9130173.200000106.3S99 D102 G111S99-A109 WeakPolarHBondContact O-CB 3.49Å; D102-A109 WeakPolarHBondContact OD1-CA 3.43Å; D102-A109 VanDerWaalsContact OD1-CB 3.31Å; D102-A109 WeakPolarHBondContact OD1-CB 3.43Å; D102-A109 PolarHBondContact OD1-N 3.12Å; A109-G111 VanDerWaalsContact C-N 3.34Å
110K91.3Very high82.3Confident134 Ų13461.2 Ų61.258%0.58334%0.343SS*.THydrogen-bonded Turntrans-86.4-12-179.6-63.9-176.7178.4-178.40112.6N86 L95 S99 L108N86-K110 PolarHBondContact ND2-O 2.81Å; L95-K110 HydrophobicContact CD2-CB 4.14Å; S99-K110 PolarHBondContact O-N 3.38Å; S99-K110 PolarHBondContact OG-N 3.22Å; L108-K110 PolarHBondContact O-N 3.44Å
111G95.4Very high82.6Confident0 Ų064.6 Ų64.60%037%0.365CS..THydrogen-bonded Turntrans-96.217.1-178.400000114.7L95 S99 A109L95-G111 WeakPolarHBondContact O-CA 3.39Å; S99-G111 VanDerWaalsContact O-CA 3.31Å; S99-G111 WeakPolarHBondContact O-CA 3.43Å; S99-G111 PolarHBondContact O-N 2.82Å; A109-G111 VanDerWaalsContact C-N 3.34Å
112W96.4Very high83.1Confident36 Ų3666.5 Ų66.514%0.13638%0.38CS..  trans-62.7150.1168.267.2-79.2000110.4W21 T30 E84 N86 K115W21-W112 HydrophobicContact CH2-CB 3.89Å; W21-W112 HydrophobicContact CZ2-CB 4.38Å; T30-W112 HydrophobicContact CG2-CB 3.61Å; T30-W112 HydrophobicContact CG2-CD2 4.22Å; T30-W112 HydrophobicContact CG2-CE3 4.2Å; T30-W112 HydrophobicContact CG2-CG 4.01Å; E84-W112 HydrophobicContact CB-CH2 4.46Å; E84-W112 HydrophobicContact CG-CH2 3.95Å; N86-W112 HydrophobicContact CB-CD2 3.88Å; N86-W112 HydrophobicContact CB-CE3 3.99Å; N86-W112 HydrophobicContact CB-CH2 3.84Å; N86-W112 HydrophobicContact CB-CZ2 3.72Å; N86-W112 HydrophobicContact CB-CZ3 3.97Å; N86-W112 WeakPolarHBondContact CB-O 3.31Å; N86-W112 PolarHBondContact ND2-O 2.79Å; W112-K115 HydrophobicContact CE3-CG 4.04Å; W112-K115 HydrophobicContact CH2-CG 4.45Å; W112-K115 HydrophobicContact CZ3-CD 4.47Å; W112-K115 HydrophobicContact CZ3-CG 3.77Å
113L98.1Very high84.3Confident0 Ų065.9 Ų65.90%038%0.376CS..  trans-96-58.1-175-59.9177000111.3V31 I33 V47 L49 C63 V74 N86 L89 V96V31-L113 PolarHBondContact O-N 3.45Å; I33-L113 HydrophobicContact CG2-CD1 4.24Å; V47-L113 HydrophobicContact CG1-CD2 3.98Å; L49-L113 HydrophobicContact CD2-CB 4.01Å; L49-L113 HydrophobicContact CD2-CD2 4.37Å; L49-L113 WeakPolarHBondContact CD2-O 3.46Å; C63-L113 HydrophobicContact CB-CD1 4.49Å; V74-L113 HydrophobicContact CG1-CD1 3.89Å; V74-L113 HydrophobicContact CG2-CD1 4.43Å; N86-L113 PolarHBondContact N-O 3.11Å; L89-L113 HydrophobicContact CD1-CD2 3.61Å; V96-L113 HydrophobicContact CG2-CD2 4.05Å
114Y98.4Very high86.1Confident0 Ų060.7 Ų60.70%035%0.349CS..EExtended strand (participates in β ladder)trans-150165.2-178.764.2-85.2000111.7V31 P50 L56 S62 C63 S76 V82 E84 L116V31-Y114 HydrophobicContact CB-CD1 4.26Å; V31-Y114 HydrophobicContact CB-CD2 4.4Å; V31-Y114 HydrophobicContact CB-CE1 3.89Å; V31-Y114 HydrophobicContact CB-CE2 4.08Å; V31-Y114 HydrophobicContact CB-CG 4.49Å; V31-Y114 HydrophobicContact CG1-CD1 4.47Å; V31-Y114 HydrophobicContact CG1-CE1 3.72Å; V31-Y114 HydrophobicContact CG2-CD2 4.44Å; V31-Y114 HydrophobicContact CG2-CE2 3.9Å; V31-Y114 PolarHBondContact N-O 2.98Å; P50-Y114 HydrophobicContact CG-CD1 3.93Å; P50-Y114 HydrophobicContact CG-CD2 4.3Å; P50-Y114 HydrophobicContact CG-CE1 4.46Å; P50-Y114 HydrophobicContact CG-CG 3.86Å; L56-Y114 HydrophobicContact CD1-CE2 3.73Å; S62-Y114 VanDerWaalsContact CB-OH 3.24Å; S62-Y114 WeakPolarHBondContact CB-OH 3.2Å; S62-Y114 WeakPolarHBondContact OG-CE1 3.15Å; S62-Y114 PolarHBondContact OG-OH 3.49Å; C63-Y114 WeakPolarHBondContact SG-CD1 3.16Å; C63-Y114 WeakPolarHBondContact SG-CE1 3.33Å; S76-Y114 WeakPolarHBondContact CA-OH 3.43Å; S76-Y114 WeakPolarHBondContact CB-OH 3.46Å; S76-Y114 PolarHBondContact OG-OH 3.37Å; V82-Y114 HydrophobicContact CG1-CD2 4.43Å; V82-Y114 HydrophobicContact CG2-CD2 4.09Å; V82-Y114 HydrophobicContact CG2-CE2 4.36Å; E84-Y114 CarbonylContact O-C 3.54Å; E84-Y114 WeakPolarHBondContact O-CA 3.33Å; E84-Y114 WeakPolarHBondContact O-CB 3.28Å; Y114-L116 HydrophobicContact CD2-CD2 4.41Å; Y114-L116 HydrophobicContact CE2-CD2 3.68Å
115K98.2Very high88.2Confident41 Ų4165.1 Ų65.118%0.17835%0.347CS..EExtended strand (participates in β ladder)trans-116.6145.6170.1-58.1-178.1-168.3160.80110.2G29 T30 V82 T83 E84 W112G29-K115 CarbonylContact O-C 3.52Å; G29-K115 VanDerWaalsContact O-CA 3.26Å; G29-K115 WeakPolarHBondContact O-CA 3.35Å; T30-K115 HydrophobicContact CG2-CG 4.25Å; V82-K115 WeakPolarHBondContact CA-O 3.24Å; T83-K115 PolarHBondContact N-O 2.82Å; T83-K115 PolarHBondContact OG1-O 2.82Å; T83-K115 VanDerWaalsContact OG1-O 3.06Å; E84-K115 HydrophobicContact CB-CB 4.11Å; E84-K115 HydrophobicContact CB-CD 4.23Å; E84-K115 HydrophobicContact CB-CG 4.33Å; E84-K115 PolarHBondContact N-O 2.88Å; E84-K115 PolarHBondContact O-N 3.46Å; E84-K115 IonicContact OE1-NZ 3.86Å; E84-K115 WeakPolarHBondContact OE2-CD 3.17Å; E84-K115 WeakPolarHBondContact OE2-CE 3.35Å; E84-K115 IonicContact OE2-NZ 3.68Å; E84-K115 PolarHBondContact OE2-NZ 3.1Å; W112-K115 HydrophobicContact CE3-CG 4.04Å; W112-K115 HydrophobicContact CH2-CG 4.45Å; W112-K115 HydrophobicContact CZ3-CD 4.47Å; W112-K115 HydrophobicContact CZ3-CG 3.77Å
116L98.5Very high90.6Very high0 Ų068.1 Ų68.10%035%0.352CS..EExtended strand (participates in β ladder)trans-133.6154.8176.566.189.9000111.5E28 G29 V31 V78 T81 Y114 L118E28-L116 WeakPolarHBondContact CA-O 3.4Å; G29-L116 PolarHBondContact N-O 2.63Å; G29-L116 PolarHBondContact O-N 3.3Å; V31-L116 HydrophobicContact CG2-CD2 3.87Å; V78-L116 HydrophobicContact CG2-CD1 3.6Å; V78-L116 HydrophobicContact CG2-CD2 3.78Å; V78-L116 HydrophobicContact CG2-CG 4.28Å; T81-L116 CarbonylContact O-C 3.52Å; T81-L116 WeakPolarHBondContact O-CA 3.49Å; T81-L116 WeakPolarHBondContact O-CB 3.42Å; Y114-L116 HydrophobicContact CD2-CD2 4.41Å; Y114-L116 HydrophobicContact CE2-CD2 3.68Å; L116-L118 HydrophobicContact CD1-CD1 3.73Å; L116-L118 HydrophobicContact CD1-CG 3.96Å
117K98.3Very high92.8Very high117 Ų11761.4 Ų61.451%0.50931%0.31SS..EExtended strand (participates in β ladder)trans-91.3121.2163.6-175.7176-179.71790109.3Q27 G80 T81 T83Q27-K117 WeakPolarHBondContact O-CA 3.48Å; G80-K117 CarbonylContact C-O 3.5Å; G80-K117 WeakPolarHBondContact CA-O 3.22Å; T81-K117 PolarHBondContact N-O 2.89Å; T81-K117 PolarHBondContact O-N 3.45Å; T83-K117 HydrophobicContact CG2-CB 4.06Å
118L98.3Very high94.8Very high13 Ų1357.2 Ų57.27%0.06829%0.288CS..EExtended strand (participates in β ladder)trans-64.2135.4-177-78.676.2000110.7I24 Q27 V78 L116 L124I24-L118 HydrophobicContact CD1-CD1 3.99Å; I24-L118 HydrophobicContact CD1-CD2 3.92Å; Q27-L118 VanDerWaalsContact O-CD1 3.23Å; Q27-L118 WeakPolarHBondContact O-CD1 3.48Å; Q27-L118 PolarHBondContact O-N 2.92Å; V78-L118 HydrophobicContact CG2-CG 4.19Å; L116-L118 HydrophobicContact CD1-CD1 3.73Å; L116-L118 HydrophobicContact CD1-CG 3.96Å; L118-L124 HydrophobicContact CD2-CD1 4Å; L118-L124 HydrophobicContact CD2-CD2 3.96Å; L118-L124 HydrophobicContact CD2-CG 4.12Å
119S97.9Very high96.2Very high60 Ų6053.4 Ų53.442%0.4227%0.269SS..SBendtrans-99.3-26.417265.30000113.1S79S79-S119 VanDerWaalsContact CB-OG 3.24Å; S79-S119 WeakPolarHBondContact CB-OG 3.41Å; S79-S119 PolarHBondContact O-N 2.82Å; S79-S119 PolarHBondContact O-OG 3.08Å
120E96.9Very high96.8Very high92 Ų9257.5 Ų57.543%0.4329%0.286SS..  trans-13479.3-174.9-64-63.2159.400111.5S122 E123E120-S122 PolarHBondContact O-N 2.95Å; E120-S122 VanDerWaalsContact O-N 3.07Å; E120-E123 HydrophobicContact CB-CG 3.84Å; E120-E123 VanDerWaalsContact O-CB 3.31Å; E120-E123 WeakPolarHBondContact O-CB 3.31Å; E120-E123 WeakPolarHBondContact O-CG 3.46Å; E120-E123 PolarHBondContact O-N 3.27Å
121P95Very high97Very high79 Ų7954.6 Ų54.651%0.51328%0.28SS..G310 helixtrans-60.2-22.2-174.3-26.535.8000115.7E123 L124P121-E123 PolarHBondContact O-N 3.07Å; P121-L124 WeakPolarHBondContact O-CB 3.08Å; P121-L124 VanDerWaalsContact O-CG 3.27Å; P121-L124 WeakPolarHBondContact O-CG 3.17Å; P121-L124 PolarHBondContact O-N 2.73Å
122S96.7Very high97.2Very high73 Ų7360 Ų6051%0.5130%0.303SS..G310 helixtrans-65.2-20.9175.956.30000112.9E120 L124 E125E120-S122 PolarHBondContact O-N 2.95Å; E120-S122 VanDerWaalsContact O-N 3.07Å; S122-L124 PolarHBondContact O-N 3.44Å; S122-E125 PolarHBondContact O-N 3.15Å
123E97.7Very high97.2Very high23 Ų2358.9 Ų58.911%0.10730%0.299CS..G310 helixtrans-65.2-20.7176.5-70.1179159.200113.2Q58 S79 E120 P121 E125 K126Q58-E123 WeakPolarHBondContact CB-OE2 3.45Å; Q58-E123 PolarHBondContact NE2-O 3.02Å; S79-E123 WeakPolarHBondContact CB-OE2 3.39Å; S79-E123 PolarHBondContact N-OE2 3.05Å; S79-E123 VanDerWaalsContact OG-CD 3.29Å; S79-E123 PolarHBondContact OG-OE1 3.18Å; S79-E123 PolarHBondContact OG-OE2 2.89Å; E120-E123 HydrophobicContact CB-CG 3.84Å; E120-E123 VanDerWaalsContact O-CB 3.31Å; E120-E123 WeakPolarHBondContact O-CB 3.31Å; E120-E123 WeakPolarHBondContact O-CG 3.46Å; E120-E123 PolarHBondContact O-N 3.27Å; P121-E123 PolarHBondContact O-N 3.07Å; E123-E125 PolarHBondContact O-N 2.92Å; E123-K126 WeakPolarHBondContact O-CB 3.49Å; E123-K126 PolarHBondContact O-N 3.21Å; E123-K126 VanDerWaalsContact O-N 3.11Å
124L96.8Very high97.1Very high37 Ų3764.1 Ų64.119%0.19432%0.324CS..G310 helixtrans-61.2-27.3176.3-62.6178.7000112.7L14 I24 V78 L118 P121 S122 K126 L127L14-L124 HydrophobicContact CD1-CB 3.94Å; L14-L124 HydrophobicContact CD1-CD2 3.94Å; L14-L124 HydrophobicContact CD1-CG 4.46Å; I24-L124 HydrophobicContact CD1-CD1 4.4Å; I24-L124 HydrophobicContact CD1-CD2 3.67Å; I24-L124 HydrophobicContact CG1-CD1 4.21Å; I24-L124 HydrophobicContact CG1-CD2 3.86Å; I24-L124 HydrophobicContact CG2-CD1 4.38Å; V78-L124 HydrophobicContact CG1-CD2 3.63Å; L118-L124 HydrophobicContact CD2-CD1 4Å; L118-L124 HydrophobicContact CD2-CD2 3.96Å; L118-L124 HydrophobicContact CD2-CG 4.12Å; P121-L124 WeakPolarHBondContact O-CB 3.08Å; P121-L124 VanDerWaalsContact O-CG 3.27Å; P121-L124 WeakPolarHBondContact O-CG 3.17Å; P121-L124 PolarHBondContact O-N 2.73Å; S122-L124 PolarHBondContact O-N 3.44Å; L124-K126 PolarHBondContact O-N 3.35Å; L124-L127 HydrophobicContact CD2-CD1 4.26Å; L124-L127 PolarHBondContact O-N 2.83Å
125E96Very high97.1Very high174 Ų17472.1 Ų72.181%0.81335%0.354SS*.G310 helixtrans-70-18.1178.9-61.7-178.6179.900112.9S122 E123 L127S122-E125 PolarHBondContact O-N 3.15Å; E123-E125 PolarHBondContact O-N 2.92Å; E125-L127 VanDerWaalsContact C-N 3.35Å
126K97.4Very high97.1Very high130 Ų13072.6 Ų72.657%0.56536%0.359SS*.G310 helixtrans-85-12178.3-57.5169.7-175.5170.70112.8Q58 E123 L124Q58-K126 VanDerWaalsContact OE1-CD 3.22Å; Q58-K126 VanDerWaalsContact OE1-NZ 3.11Å; E123-K126 WeakPolarHBondContact O-CB 3.49Å; E123-K126 PolarHBondContact O-N 3.21Å; E123-K126 VanDerWaalsContact O-N 3.11Å; L124-K126 PolarHBondContact O-N 3.35Å
127L98.1Very high97.1Very high11 Ų1173.2 Ų73.26%0.05836%0.362CS..SBendtrans-87.9159.2-177.8-59.3-178.8000111.6L14 Y15 T16 V22 F59 P77 V78 L124 E125L14-L127 HydrophobicContact CB-CB 3.79Å; L14-L127 HydrophobicContact CB-CD1 3.84Å; L14-L127 HydrophobicContact CB-CG 4.49Å; L14-L127 HydrophobicContact CD1-CB 4.28Å; L14-L127 HydrophobicContact CD1-CD1 4.22Å; L14-L127 HydrophobicContact CG-CB 4.47Å; Y15-L127 WeakPolarHBondContact O-CB 3.34Å; T16-L127 HydrophobicContact CG2-CD2 4.01Å; V22-L127 HydrophobicContact CG1-CD1 3.64Å; F59-L127 HydrophobicContact CE1-CD2 4.29Å; F59-L127 HydrophobicContact CZ-CD2 4.46Å; P77-L127 HydrophobicContact CB-CD1 4.09Å; P77-L127 HydrophobicContact CB-CD2 4.34Å; V78-L127 HydrophobicContact CG1-CD1 4.01Å; L124-L127 HydrophobicContact CD2-CD1 4.26Å; L124-L127 PolarHBondContact O-N 2.83Å; E125-L127 VanDerWaalsContact C-N 3.35Å
128L98.4Very high97Very high43 Ų4374.4 Ų74.423%0.22537%0.369CS..BIsolated β-bridgetrans-81134176.6-53.8176.9000109.3L14 Y15 K132 Y133 L136L14-L128 CarbonylContact C-O 3.53Å; L14-L128 VanDerWaalsContact CA-O 3.27Å; L14-L128 WeakPolarHBondContact CA-O 3.4Å; Y15-L128 PolarHBondContact N-O 3.28Å; Y15-L128 WeakPolarHBondContact O-CB 3.4Å; Y15-L128 PolarHBondContact O-N 2.88Å; L128-K132 HydrophobicContact CB-CB 4.11Å; L128-K132 HydrophobicContact CD2-CB 4.17Å; L128-K132 HydrophobicContact CD2-CD 4.4Å; L128-Y133 HydrophobicContact CD1-CD2 4.13Å; L128-L136 HydrophobicContact CD1-CD2 3.91Å
129D96.4Very high96.9Very high51 Ų5180.3 Ų80.327%0.27340%0.395SS..PPolyproline II helixtrans-73.7170.3162.356.845.3000110.4L14 T131 K132 Y133L14-D129 HydrophobicContact CD2-CB 4.4Å; D129-T131 VanDerWaalsContact C-N 3.32Å; D129-T131 PolarHBondContact O-N 3.13Å; D129-T131 PolarHBondContact OD1-N 2.86Å; D129-K132 PolarHBondContact O-N 2.81Å; D129-K132 WeakPolarHBondContact OD1-CB 3.5Å; D129-K132 VanDerWaalsContact OD1-CG 3.26Å; D129-K132 WeakPolarHBondContact OD1-CG 3.32Å; D129-K132 PolarHBondContact OD1-N 2.81Å; D129-K132 IonicContact OD2-NZ 2.73Å; D129-Y133 WeakPolarHBondContact O-CB 3.34Å; D129-Y133 PolarHBondContact O-N 3.02Å
130E93.3Very high96.8Very high93 Ų9380 Ų8044%0.43539%0.388SS..Hα-helixtrans-53.9-46.7-178.2-171.7160.6-130.600112.3Y15 K132 Y133 E134Y15-E130 HydrophobicContact CE2-CB 4.21Å; Y15-E130 HydrophobicContact CE2-CG 4.48Å; E130-K132 PolarHBondContact O-N 2.81Å; E130-Y133 PolarHBondContact O-N 3.26Å; E130-E134 WeakPolarHBondContact O-CB 3.16Å; E130-E134 VanDerWaalsContact O-CG 3.28Å; E130-E134 WeakPolarHBondContact O-CG 3.48Å; E130-E134 PolarHBondContact O-N 3.34Å
131T95.9Very high96.6Very high73 Ų7381.1 Ų81.145%0.44839%0.388SS..Hα-helixtrans-62.9-41.6178.7-56.80000113D129 R135D129-T131 VanDerWaalsContact C-N 3.32Å; D129-T131 PolarHBondContact O-N 3.13Å; D129-T131 PolarHBondContact OD1-N 2.86Å; T131-R135 WeakPolarHBondContact O-CG 3.39Å; T131-R135 PolarHBondContact O-N 3.5Å
132K98Very high96.5Very high113 Ų11381 Ų8149%0.49139%0.394SS..Hα-helixtrans-67.5-39.2176.6-73.5172-174.6172.50111.4L128 D129 E130 L136L128-K132 HydrophobicContact CB-CB 4.11Å; L128-K132 HydrophobicContact CD2-CB 4.17Å; L128-K132 HydrophobicContact CD2-CD 4.4Å; D129-K132 PolarHBondContact O-N 2.81Å; D129-K132 WeakPolarHBondContact OD1-CB 3.5Å; D129-K132 VanDerWaalsContact OD1-CG 3.26Å; D129-K132 WeakPolarHBondContact OD1-CG 3.32Å; D129-K132 PolarHBondContact OD1-N 2.81Å; D129-K132 IonicContact OD2-NZ 2.73Å; E130-K132 PolarHBondContact O-N 2.81Å; K132-L136 PolarHBondContact O-N 2.86Å; K132-L136 VanDerWaalsContact O-N 3.15Å
133Y97.5Very high95.9Very high13 Ų1383.5 Ų83.55%0.05140%0.402CS..Hα-helixtrans-69-42.7178.8-173.7-104000112.2Y15 T16 H19 S34 L128 D129 E130 R135 L136 V137Y15-Y133 AromaticContact CD1-CD1 3.57Å; Y15-Y133 HydrophobicContact CD1-CD1 3.57Å; Y15-Y133 HydrophobicContact CD1-CD2 4.1Å; Y15-Y133 AromaticContact CD1-CE1 3.73Å; Y15-Y133 HydrophobicContact CD1-CE1 3.73Å; Y15-Y133 HydrophobicContact CD1-CE2 4.22Å; Y15-Y133 AromaticContact CD1-CG 3.77Å; Y15-Y133 HydrophobicContact CD1-CG 3.77Å; Y15-Y133 HydrophobicContact CD2-CD1 4.13Å; Y15-Y133 AromaticContact CD2-CG 3.86Å; Y15-Y133 HydrophobicContact CD2-CG 3.86Å; Y15-Y133 AromaticContact CE1-CD1 3.83Å; Y15-Y133 HydrophobicContact CE1-CD1 3.83Å; Y15-Y133 AromaticContact CE1-CE1 3.99Å; Y15-Y133 HydrophobicContact CE1-CE1 3.99Å; Y15-Y133 HydrophobicContact CE1-CG 4.41Å; Y15-Y133 HydrophobicContact CE2-CD1 4.34Å; Y15-Y133 HydrophobicContact CE2-CG 4.48Å; Y15-Y133 AromaticContact CG-CD1 3.74Å; Y15-Y133 HydrophobicContact CG-CD1 3.74Å; Y15-Y133 AromaticContact CG-CD2 3.79Å; Y15-Y133 HydrophobicContact CG-CD2 3.79Å; Y15-Y133 HydrophobicContact CG-CE1 4.29Å; Y15-Y133 HydrophobicContact CG-CE2 4.33Å; Y15-Y133 AromaticContact CG-CG 3.45Å; Y15-Y133 HydrophobicContact CG-CG 3.45Å; Y15-Y133 VanDerWaalsContact CG-CG 3.45Å; T16-Y133 WeakPolarHBondContact O-CE2 3.47Å; H19-Y133 WeakPolarHBondContact CA-OH 3.48Å; H19-Y133 HydrophobicContact CB-CE2 4.46Å; H19-Y133 WeakPolarHBondContact CB-OH 3.44Å; H19-Y133 AromaticContact ND1-CE2 3.57Å; H19-Y133 AromaticContact ND1-CZ 3.62Å; H19-Y133 PolarHBondContact ND1-OH 3.08Å; S34-Y133 WeakPolarHBondContact CB-OH 3.45Å; S34-Y133 PolarHBondContact OG-OH 3.41Å; L128-Y133 HydrophobicContact CD1-CD2 4.13Å; D129-Y133 WeakPolarHBondContact O-CB 3.34Å; D129-Y133 PolarHBondContact O-N 3.02Å; E130-Y133 PolarHBondContact O-N 3.26Å; Y133-R135 VanDerWaalsContact C-N 3.3Å; Y133-R135 PolarHBondContact O-N 3.41Å; Y133-L136 HydrophobicContact CD2-CD2 4.31Å; Y133-L136 HydrophobicContact CE2-CD2 4.38Å; Y133-L136 WeakPolarHBondContact O-CB 3.5Å; Y133-L136 PolarHBondContact O-N 2.92Å; Y133-L136 VanDerWaalsContact O-N 3.07Å; Y133-V137 HydrophobicContact CD1-CG2 4.08Å; Y133-V137 HydrophobicContact CE1-CG2 3.56Å; Y133-V137 HydrophobicContact CE2-CG2 4.29Å; Y133-V137 WeakPolarHBondContact O-CG2 3.44Å; Y133-V137 PolarHBondContact O-N 3.04Å
134E96.6Very high94.8Very high111 Ų11191 Ų9152%0.51944%0.437SS..Hα-helixtrans-55.9-44.6174.1-76.5172.5169.200111.7E130 L136 V137 E138E130-E134 WeakPolarHBondContact O-CB 3.16Å; E130-E134 VanDerWaalsContact O-CG 3.28Å; E130-E134 WeakPolarHBondContact O-CG 3.48Å; E130-E134 PolarHBondContact O-N 3.34Å; E134-L136 VanDerWaalsContact C-N 3.33Å; E134-L136 PolarHBondContact O-N 3.22Å; E134-V137 PolarHBondContact O-N 3.33Å; E134-E138 WeakPolarHBondContact O-CB 3.47Å; E134-E138 PolarHBondContact O-N 3.49Å
135R97.9Very high94.7Very high168 Ų16893.8 Ų93.863%0.63445%0.449SS*.Hα-helixtrans-63.8-36.6175.8-71.4174.6-175174.53.3113.1T131 Y133 K139T131-R135 WeakPolarHBondContact O-CG 3.39Å; T131-R135 PolarHBondContact O-N 3.5Å; Y133-R135 VanDerWaalsContact C-N 3.3Å; Y133-R135 PolarHBondContact O-N 3.41Å; R135-K139 WeakPolarHBondContact O-CB 3.31Å; R135-K139 PolarHBondContact O-N 3.04Å; R135-K139 VanDerWaalsContact O-N 3.15Å
136L97.7Very high94.6Very high51 Ų5189.5 Ų89.527%0.26743%0.43SS..Hα-helixtrans-62.7-48.7174.6175.365.7000110.2D17 L128 K132 Y133 E134 K139 L140D17-L136 HydrophobicContact CB-CD2 4.39Å; L128-L136 HydrophobicContact CD1-CD2 3.91Å; K132-L136 PolarHBondContact O-N 2.86Å; K132-L136 VanDerWaalsContact O-N 3.15Å; Y133-L136 HydrophobicContact CD2-CD2 4.31Å; Y133-L136 HydrophobicContact CE2-CD2 4.38Å; Y133-L136 WeakPolarHBondContact O-CB 3.5Å; Y133-L136 PolarHBondContact O-N 2.92Å; Y133-L136 VanDerWaalsContact O-N 3.07Å; E134-L136 VanDerWaalsContact C-N 3.33Å; E134-L136 PolarHBondContact O-N 3.22Å; L136-K139 PolarHBondContact O-N 3.39Å; L136-L140 HydrophobicContact CD1-CD1 4.28Å; L136-L140 HydrophobicContact CG-CD1 4.11Å; L136-L140 WeakPolarHBondContact O-CG 3.48Å; L136-L140 PolarHBondContact O-N 2.7Å
137V97.4Very high94.4Very high13 Ų1387.3 Ų87.38%0.07942%0.422CS..Hα-helixtrans-65.4-42-179.91730000111.7Y36 Y133 E134 K139 L140 R141Y36-V137 HydrophobicContact CD2-CG1 3.88Å; Y36-V137 HydrophobicContact CG-CG1 4.08Å; Y36-V137 HydrophobicContact CG-CG2 4.26Å; Y133-V137 HydrophobicContact CD1-CG2 4.08Å; Y133-V137 HydrophobicContact CE1-CG2 3.56Å; Y133-V137 HydrophobicContact CE2-CG2 4.29Å; Y133-V137 WeakPolarHBondContact O-CG2 3.44Å; Y133-V137 PolarHBondContact O-N 3.04Å; E134-V137 PolarHBondContact O-N 3.33Å; V137-K139 VanDerWaalsContact C-N 3.28Å; V137-K139 PolarHBondContact O-N 3.16Å; V137-L140 PolarHBondContact O-N 3.28Å; V137-R141 HydrophobicContact CG1-CG 4.27Å; V137-R141 WeakPolarHBondContact O-CB 3.38Å; V137-R141 WeakPolarHBondContact O-CG 3.13Å; V137-R141 PolarHBondContact O-N 3.16Å
138E96.7Very high94.2Very high141 Ų14191.8 Ų91.866%0.65944%0.444SS*.Hα-helixtrans-57.7-43.5175.7-176.2-179.5-173.400111.3E134 A142E134-E138 WeakPolarHBondContact O-CB 3.47Å; E134-E138 PolarHBondContact O-N 3.49Å; E138-A142 WeakPolarHBondContact O-CB 3.38Å; E138-A142 PolarHBondContact O-N 3.11Å; E138-A142 VanDerWaalsContact O-N 3.16Å
139K96.8Very high94Very high138 Ų13894.8 Ų94.860%0.646%0.457SS*.Hα-helixtrans-63.3-46.9176-176-178174.7-171.40111.9R135 L136 V137 R141 A142 D143R135-K139 WeakPolarHBondContact O-CB 3.31Å; R135-K139 PolarHBondContact O-N 3.04Å; R135-K139 VanDerWaalsContact O-N 3.15Å; L136-K139 PolarHBondContact O-N 3.39Å; V137-K139 VanDerWaalsContact C-N 3.28Å; V137-K139 PolarHBondContact O-N 3.16Å; K139-R141 PolarHBondContact O-N 3.12Å; K139-A142 PolarHBondContact O-N 2.7Å; K139-A142 VanDerWaalsContact O-N 3.16Å; K139-D143 PolarHBondContact O-N 3.28Å
140L95.4Very high93.8Very high53 Ų5397.7 Ų97.728%0.27747%0.47SS..Hα-helixtrans-62.1-43.9-179.5-70.4168.5000111.8H19 Y36 L136 V137 A142 D143 E144H19-L140 WeakPolarHBondContact CE1-CD1 3.23Å; Y36-L140 HydrophobicContact CE1-CD1 3.99Å; Y36-L140 HydrophobicContact CE2-CB 4.44Å; L136-L140 HydrophobicContact CD1-CD1 4.28Å; L136-L140 HydrophobicContact CG-CD1 4.11Å; L136-L140 WeakPolarHBondContact O-CG 3.48Å; L136-L140 PolarHBondContact O-N 2.7Å; V137-L140 PolarHBondContact O-N 3.28Å; L140-A142 PolarHBondContact O-N 3.44Å; L140-D143 PolarHBondContact O-N 3.42Å; L140-D143 VanDerWaalsContact O-N 3.14Å; L140-E144 PolarHBondContact O-N 3.14Å
141R92.7Very high93.8Very high116 Ų11698.1 Ų98.144%0.43847%0.472SS..Hα-helixtrans-66-20.8176.4-72.8180168.8168.9-3.1113.9Y36 E39 V137 K139Y36-R141 HydrophobicContact CD2-CG 4.2Å; Y36-R141 HydrophobicContact CE2-CG 4.01Å; E39-R141 IonicContact OE2-CZ 2.73Å; E39-R141 IonicContact OE2-NH2 2.9Å; E39-R141 PolarHBondContact OE2-NH2 3.1Å; V137-R141 HydrophobicContact CG1-CG 4.27Å; V137-R141 WeakPolarHBondContact O-CB 3.38Å; V137-R141 WeakPolarHBondContact O-CG 3.13Å; V137-R141 PolarHBondContact O-N 3.16Å; K139-R141 PolarHBondContact O-N 3.12Å
142A92.4Very high93.7Very high77 Ų77100 Ų10064%0.63647%0.474SS*.Hα-helixtrans-84.6-18.9175.600000113.2E138 K139 L140E138-A142 WeakPolarHBondContact O-CB 3.38Å; E138-A142 PolarHBondContact O-N 3.11Å; E138-A142 VanDerWaalsContact O-N 3.16Å; K139-A142 PolarHBondContact O-N 2.7Å; K139-A142 VanDerWaalsContact O-N 3.16Å; L140-A142 PolarHBondContact O-N 3.44Å
143D85.1Confident93.3Very high124 Ų12498.9 Ų98.966%0.66347%0.473SS*.Hα-helixtrans-95.4-5.3-179.5-69.1-25.8000112.6K139 L140K139-D143 PolarHBondContact O-N 3.28Å; L140-D143 PolarHBondContact O-N 3.42Å; L140-D143 VanDerWaalsContact O-N 3.14Å
144E73.4Confident92.9Very high182 Ų182106.7 Ų106.785%0.8551%0.511SS*.  trans-83.40175.3-73.5171.9-174.400113.2Y36 L140Y36-E144 PolarHBondContact OH-OE1 2.86Å; L140-E144 PolarHBondContact O-N 3.14Å

Retrieved 144 of 144 residues in 157.2 ms (Link to these results)

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