A0A077ZJN7_TRITR Loading...

DUF4371 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZJN7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 162 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
1M57.6Low84.3Confident206 Ų20687.3 Ų87.3100%1.01549%0.494SS*.  0-51.30-63.9-173.790.600111.5A3 D4 V5M1-A3 PolarHBondContact O-N 3.31Å; M1-D4 WeakPolarHBondContact O-CB 3.25Å; M1-D4 PolarHBondContact O-N 3.21Å; M1-D4 VanDerWaalsContact O-N 3.16Å; M1-V5 PolarHBondContact O-N 3.27Å
2A62.2Low85.3Confident83 Ų8384.2 Ų84.269%0.68647%0.471SS*.Hα-helixtrans-58.2-43.4179.100000114.6D4 V5 E6A2-D4 PolarHBondContact O-N 3.22Å; A2-V5 PolarHBondContact O-N 3.4Å; A2-V5 VanDerWaalsContact O-N 3.11Å; A2-E6 PolarHBondContact O-N 3.45Å
3A69Low86.2Confident69 Ų6977.7 Ų77.757%0.5744%0.435SS*.Hα-helixtrans-59.5-33177.600000113.2M1 Q7M1-A3 PolarHBondContact O-N 3.31Å; A3-Q7 VanDerWaalsContact O-CB 3.24Å; A3-Q7 WeakPolarHBondContact O-CB 3.33Å; A3-Q7 PolarHBondContact O-N 3.18Å
4D83.3Confident87Confident112 Ų11275.3 Ų75.360%0.59942%0.417SS*.Hα-helixtrans-70.6-38178-171.633.3000111.3M1 A2 T8M1-D4 WeakPolarHBondContact O-CB 3.25Å; M1-D4 PolarHBondContact O-N 3.21Å; M1-D4 VanDerWaalsContact O-N 3.16Å; A2-D4 PolarHBondContact O-N 3.22Å; D4-T8 VanDerWaalsContact O-CB 3.27Å; D4-T8 WeakPolarHBondContact O-CB 3.36Å; D4-T8 PolarHBondContact O-N 3.16Å; D4-T8 PolarHBondContact O-OG1 3.01Å
5V88.4Confident87.7Confident95 Ų9578.2 Ų78.258%0.57644%0.438SS*.Hα-helixtrans-67.5-47.5175.7-179.50000111M1 A2 Q7 T8 L9M1-V5 PolarHBondContact O-N 3.27Å; A2-V5 PolarHBondContact O-N 3.4Å; A2-V5 VanDerWaalsContact O-N 3.11Å; V5-Q7 PolarHBondContact O-N 2.97Å; V5-T8 PolarHBondContact O-N 2.86Å; V5-L9 WeakPolarHBondContact O-CB 3.37Å; V5-L9 PolarHBondContact O-N 3.04Å
6E90.5Very high88.3Confident70 Ų7075.4 Ų75.433%0.32742%0.424SS..Hα-helixtrans-59.3-47.4176.9-176.5-167.2149.200110.9A2 L9 C10 K76A2-E6 PolarHBondContact O-N 3.45Å; E6-L9 PolarHBondContact O-N 3.12Å; E6-C10 WeakPolarHBondContact O-CB 3.17Å; E6-C10 PolarHBondContact O-N 3.21Å; E6-C10 PolarHBondContact O-SG 3.41Å; E6-K76 WeakPolarHBondContact OE1-CE 3Å; E6-K76 IonicContact OE1-NZ 3.96Å; E6-K76 PolarHBondContact OE1-NZ 3.46Å
7Q92.4Very high88.8Confident124 Ų12478.7 Ų78.758%0.57944%0.435SS*.Hα-helixtrans-64.6-43.7-179.3-171.9155.3500111.4A3 V5 L9 C10 E11A3-Q7 VanDerWaalsContact O-CB 3.24Å; A3-Q7 WeakPolarHBondContact O-CB 3.33Å; A3-Q7 PolarHBondContact O-N 3.18Å; V5-Q7 PolarHBondContact O-N 2.97Å; Q7-L9 VanDerWaalsContact C-N 3.31Å; Q7-L9 PolarHBondContact O-N 3.07Å; Q7-C10 PolarHBondContact O-N 2.84Å; Q7-E11 WeakPolarHBondContact O-CB 3.36Å; Q7-E11 WeakPolarHBondContact O-CG 3.37Å; Q7-E11 PolarHBondContact O-N 3Å
8T94.4Very high89.3Confident83 Ų8374.5 Ų74.551%0.50941%0.412SS..Hα-helixtrans-59.4-42.5174.9-60.90000111.8D4 V5 F12D4-T8 VanDerWaalsContact O-CB 3.27Å; D4-T8 WeakPolarHBondContact O-CB 3.36Å; D4-T8 PolarHBondContact O-N 3.16Å; D4-T8 PolarHBondContact O-OG1 3.01Å; V5-T8 PolarHBondContact O-N 2.86Å; T8-F12 WeakPolarHBondContact O-CB 3.32Å; T8-F12 PolarHBondContact O-N 2.87Å; T8-F12 VanDerWaalsContact O-N 3.11Å
9L96.1Very high89.7Confident22 Ų2272.2 Ų72.212%0.11540%0.401CS..Hα-helixtrans-64.2-48.6176.1177.860.5000110.9V5 E6 Q7 E11 F12 L13 V38 F40 E49 L51V5-L9 WeakPolarHBondContact O-CB 3.37Å; V5-L9 PolarHBondContact O-N 3.04Å; E6-L9 PolarHBondContact O-N 3.12Å; Q7-L9 VanDerWaalsContact C-N 3.31Å; Q7-L9 PolarHBondContact O-N 3.07Å; L9-E11 PolarHBondContact O-N 2.98Å; L9-F12 WeakPolarHBondContact O-CB 3.44Å; L9-F12 PolarHBondContact O-N 3.14Å; L9-F12 VanDerWaalsContact O-N 3.12Å; L9-L13 HydrophobicContact CD1-CD1 4.26Å; L9-L13 HydrophobicContact CD1-CD2 4.37Å; L9-L13 HydrophobicContact CD1-CG 4.16Å; L9-L13 HydrophobicContact CG-CD1 4.1Å; L9-L13 HydrophobicContact CG-CG 4.39Å; L9-L13 VanDerWaalsContact O-CG 3.3Å; L9-L13 WeakPolarHBondContact O-CG 3.46Å; L9-L13 PolarHBondContact O-N 2.81Å; L9-V38 HydrophobicContact CD1-CG2 4.23Å; L9-V38 HydrophobicContact CD2-CG2 4.09Å; L9-F40 HydrophobicContact CD1-CE1 3.56Å; L9-F40 HydrophobicContact CD1-CZ 3.73Å; L9-E49 HydrophobicContact CD1-CB 4.44Å; L9-E49 HydrophobicContact CD2-CB 3.85Å; L9-L51 HydrophobicContact CD2-CD1 4.22Å
10C96.5Very high90.1Very high4 Ų468.7 Ų68.73%0.02738%0.382CS..Hα-helixtrans-59.4-46.5-179.9-67.90000111.6E6 Q7 F12 L13 K14 K76 I78E6-C10 WeakPolarHBondContact O-CB 3.17Å; E6-C10 PolarHBondContact O-N 3.21Å; E6-C10 PolarHBondContact O-SG 3.41Å; Q7-C10 PolarHBondContact O-N 2.84Å; C10-F12 VanDerWaalsContact C-N 3.27Å; C10-F12 PolarHBondContact O-N 2.82Å; C10-L13 PolarHBondContact O-N 3.17Å; C10-L13 VanDerWaalsContact O-N 3.11Å; C10-K14 WeakPolarHBondContact O-CG 3.11Å; C10-K14 PolarHBondContact O-N 3.36Å; C10-K76 HydrophobicContact CB-CB 4.36Å; C10-I78 HydrophobicContact CB-CD1 4.06Å
11E96.4Very high90.4Very high92 Ų9268.5 Ų68.543%0.4338%0.378SS..Hα-helixtrans-58.5-38.9175.5-72-58.7143.800112.2Q7 L9 K14Q7-E11 WeakPolarHBondContact O-CB 3.36Å; Q7-E11 WeakPolarHBondContact O-CG 3.37Å; Q7-E11 PolarHBondContact O-N 3Å; L9-E11 PolarHBondContact O-N 2.98Å; E11-K14 WeakPolarHBondContact O-CB 3.41Å; E11-K14 PolarHBondContact O-N 3.23Å; E11-K14 IonicContact OE1-NZ 3.71Å; E11-K14 PolarHBondContact OE1-NZ 3.02Å; E11-K14 IonicContact OE2-NZ 3.12Å
12F96.5Very high92.2Very high50 Ų5058.9 Ų58.922%0.21933%0.33CS..Hα-helixtrans-65.1-42.1174.7-178.2-94.8000112.4T8 L9 C10 K14 T15 T16 F40 K42T8-F12 WeakPolarHBondContact O-CB 3.32Å; T8-F12 PolarHBondContact O-N 2.87Å; T8-F12 VanDerWaalsContact O-N 3.11Å; L9-F12 WeakPolarHBondContact O-CB 3.44Å; L9-F12 PolarHBondContact O-N 3.14Å; L9-F12 VanDerWaalsContact O-N 3.12Å; C10-F12 VanDerWaalsContact C-N 3.27Å; C10-F12 PolarHBondContact O-N 2.82Å; F12-K14 VanDerWaalsContact C-N 3.28Å; F12-K14 PolarHBondContact O-N 2.86Å; F12-T15 PolarHBondContact O-N 3.2Å; F12-T15 PolarHBondContact O-OG1 2.91Å; F12-T16 HydrophobicContact CE1-CG2 3.71Å; F12-T16 HydrophobicContact CZ-CG2 3.77Å; F12-T16 WeakPolarHBondContact CZ-OG1 3.35Å; F12-T16 WeakPolarHBondContact O-CB 3.22Å; F12-T16 PolarHBondContact O-N 2.92Å; F12-T16 VanDerWaalsContact O-N 3.17Å; F12-T16 PolarHBondContact O-OG1 3.34Å; F12-F40 HydrophobicContact CD1-CD2 4.05Å; F12-F40 AromaticContact CD1-CE2 3.97Å; F12-F40 HydrophobicContact CD1-CE2 3.97Å; F12-F40 HydrophobicContact CD1-CG 4.45Å; F12-F40 HydrophobicContact CD1-CZ 4.35Å; F12-F40 HydrophobicContact CE1-CB 4.36Å; F12-F40 AromaticContact CE1-CD2 3.26Å; F12-F40 HydrophobicContact CE1-CD2 3.26Å; F12-F40 AromaticContact CE1-CE2 3.54Å; F12-F40 HydrophobicContact CE1-CE2 3.54Å; F12-F40 AromaticContact CE1-CG 3.82Å; F12-F40 HydrophobicContact CE1-CG 3.82Å; F12-F40 HydrophobicContact CE1-CZ 4.32Å; F12-F40 AromaticContact CZ-CD2 3.98Å; F12-F40 HydrophobicContact CZ-CD2 3.98Å; F12-F40 HydrophobicContact CZ-CE2 4.24Å; F12-K42 HydrophobicContact CE2-CD 4.46Å; F12-K42 HydrophobicContact CE2-CG 4.45Å; F12-K42 HydrophobicContact CZ-CB 4.29Å; F12-K42 HydrophobicContact CZ-CD 4.49Å; F12-K42 HydrophobicContact CZ-CG 4.34Å
13L97.5Very high93.7Very high0 Ų058.1 Ų58.10%032%0.315CS..Hα-helixtrans-69.6-22.2179.3-62.6176.5000113.2L9 C10 T15 F18 V38 F40 L51 I78 N82L9-L13 HydrophobicContact CD1-CD1 4.26Å; L9-L13 HydrophobicContact CD1-CD2 4.37Å; L9-L13 HydrophobicContact CD1-CG 4.16Å; L9-L13 HydrophobicContact CG-CD1 4.1Å; L9-L13 HydrophobicContact CG-CG 4.39Å; L9-L13 VanDerWaalsContact O-CG 3.3Å; L9-L13 WeakPolarHBondContact O-CG 3.46Å; L9-L13 PolarHBondContact O-N 2.81Å; C10-L13 PolarHBondContact O-N 3.17Å; C10-L13 VanDerWaalsContact O-N 3.11Å; L13-T15 PolarHBondContact O-N 3.38Å; L13-F18 HydrophobicContact CB-CD1 4.14Å; L13-F18 HydrophobicContact CB-CE1 3.75Å; L13-F18 HydrophobicContact CB-CZ 4.31Å; L13-F18 HydrophobicContact CD1-CZ 4.48Å; L13-F18 HydrophobicContact CD2-CB 4.04Å; L13-F18 HydrophobicContact CD2-CD1 3.55Å; L13-F18 HydrophobicContact CD2-CD2 4.33Å; L13-F18 HydrophobicContact CD2-CE1 3.97Å; L13-F18 HydrophobicContact CD2-CG 3.74Å; L13-F18 HydrophobicContact CD2-CZ 4.49Å; L13-F18 HydrophobicContact CG-CD1 4.34Å; L13-F18 HydrophobicContact CG-CE1 4.29Å; L13-V38 HydrophobicContact CD1-CB 4.43Å; L13-V38 HydrophobicContact CD1-CG1 3.93Å; L13-V38 HydrophobicContact CD1-CG2 4.19Å; L13-V38 HydrophobicContact CD2-CB 4.38Å; L13-V38 HydrophobicContact CD2-CG1 4.5Å; L13-V38 HydrophobicContact CD2-CG2 4.41Å; L13-F40 HydrophobicContact CD2-CD1 3.92Å; L13-F40 HydrophobicContact CD2-CE1 4.31Å; L13-L51 HydrophobicContact CD1-CD1 3.61Å; L13-I78 HydrophobicContact CB-CD1 4.24Å; L13-I78 HydrophobicContact CB-CG2 4.17Å; L13-I78 HydrophobicContact CD1-CD1 4.32Å; L13-N82 PolarHBondContact O-ND2 3.38Å
14K97.8Very high94.8Very high44 Ų4457.9 Ų57.919%0.19130%0.302CS..Hα-helixtrans-61.4-31.7171.9-68.9179.7-178.2-179.90112.6C10 E11 F12 K76 E77 I78 N82C10-K14 WeakPolarHBondContact O-CG 3.11Å; C10-K14 PolarHBondContact O-N 3.36Å; E11-K14 WeakPolarHBondContact O-CB 3.41Å; E11-K14 PolarHBondContact O-N 3.23Å; E11-K14 IonicContact OE1-NZ 3.71Å; E11-K14 PolarHBondContact OE1-NZ 3.02Å; E11-K14 IonicContact OE2-NZ 3.12Å; F12-K14 VanDerWaalsContact C-N 3.28Å; F12-K14 PolarHBondContact O-N 2.86Å; K14-K76 WeakPolarHBondContact CE-O 3.35Å; K14-K76 PolarHBondContact NZ-O 3.12Å; K14-E77 IonicContact NZ-OE2 3.19Å; K14-E77 PolarHBondContact NZ-OE2 3.32Å; K14-E77 VanDerWaalsContact NZ-OE2 3.12Å; K14-I78 HydrophobicContact CG-CG1 4.21Å; K14-N82 VanDerWaalsContact C-ND2 3.34Å; K14-N82 PolarHBondContact O-ND2 2.84Å
15T96.8Very high95.1Very high119 Ų11954.7 Ų54.773%0.7329%0.289SS*.Hα-helixtrans-112.3-4.4-171.757.20000113.9F12 L13F12-T15 PolarHBondContact O-N 3.2Å; F12-T15 PolarHBondContact O-OG1 2.91Å; L13-T15 PolarHBondContact O-N 3.38Å
16T96.7Very high95.1Very high34 Ų3455.7 Ų55.721%0.20929%0.289CS..SBendtrans-126144.7-173.4-510000110.8F12 F18F12-T16 HydrophobicContact CE1-CG2 3.71Å; F12-T16 HydrophobicContact CZ-CG2 3.77Å; F12-T16 WeakPolarHBondContact CZ-OG1 3.35Å; F12-T16 WeakPolarHBondContact O-CB 3.22Å; F12-T16 PolarHBondContact O-N 2.92Å; F12-T16 VanDerWaalsContact O-N 3.17Å; F12-T16 PolarHBondContact O-OG1 3.34Å; T16-F18 WeakPolarHBondContact O-CD1 3.49Å
17Q97.3Very high95Very high131 Ų13155.9 Ų55.961%0.61229%0.292SS*.  trans-77.9142.8170.6-76-172.7-20.600111.7N82 T84Q17-N82 WeakPolarHBondContact CA-O 3.44Å; Q17-T84 HydrophobicContact CB-CG2 3.77Å; Q17-T84 HydrophobicContact CG-CG2 4Å
18F98Very high94.7Very high3 Ų356.6 Ų56.61%0.01331%0.308CS..EExtended strand (participates in β ladder)trans-148.3170.5-177.958.8-87.8000111.8L13 T16 L20 V38 R39 F40 F73 I78 N82 I83 T84L13-F18 HydrophobicContact CB-CD1 4.14Å; L13-F18 HydrophobicContact CB-CE1 3.75Å; L13-F18 HydrophobicContact CB-CZ 4.31Å; L13-F18 HydrophobicContact CD1-CZ 4.48Å; L13-F18 HydrophobicContact CD2-CB 4.04Å; L13-F18 HydrophobicContact CD2-CD1 3.55Å; L13-F18 HydrophobicContact CD2-CD2 4.33Å; L13-F18 HydrophobicContact CD2-CE1 3.97Å; L13-F18 HydrophobicContact CD2-CG 3.74Å; L13-F18 HydrophobicContact CD2-CZ 4.49Å; L13-F18 HydrophobicContact CG-CD1 4.34Å; L13-F18 HydrophobicContact CG-CE1 4.29Å; T16-F18 WeakPolarHBondContact O-CD1 3.49Å; F18-L20 HydrophobicContact CD2-CG 4.41Å; F18-L20 HydrophobicContact CE2-CD2 4.17Å; F18-L20 HydrophobicContact CE2-CG 4.13Å; F18-V38 HydrophobicContact CD2-CB 4.3Å; F18-V38 HydrophobicContact CD2-CG1 3.76Å; F18-V38 HydrophobicContact CE2-CG1 3.89Å; F18-R39 WeakPolarHBondContact CA-O 3.36Å; F18-F40 HydrophobicContact CB-CB 3.91Å; F18-F73 HydrophobicContact CE2-CE1 4.07Å; F18-F73 AromaticContact CE2-CZ 3.91Å; F18-F73 HydrophobicContact CE2-CZ 3.91Å; F18-F73 AromaticContact CZ-CE1 3.61Å; F18-F73 HydrophobicContact CZ-CE1 3.61Å; F18-F73 AromaticContact CZ-CZ 3.87Å; F18-F73 HydrophobicContact CZ-CZ 3.87Å; F18-I78 HydrophobicContact CE1-CG2 4.07Å; F18-I78 HydrophobicContact CZ-CG2 3.96Å; F18-N82 HydrophobicContact CD1-CB 4.15Å; F18-N82 HydrophobicContact CE1-CB 3.7Å; F18-N82 PolarHBondContact N-O 2.99Å; F18-I83 HydrophobicContact CE2-CG1 3.85Å; F18-I83 HydrophobicContact CZ-CG1 3.97Å; F18-I83 WeakPolarHBondContact O-CA 3.44Å; F18-T84 PolarHBondContact O-N 3.36Å; F18-T84 PolarHBondContact O-OG1 2.86Å
19S97.8Very high94.3Very high30 Ų3055.2 Ų55.221%0.2131%0.31CS..EExtended strand (participates in β ladder)trans-115.7148171.556.40000109.9V38 R39 A85S19-V38 CarbonylContact O-C 3.54Å; S19-V38 WeakPolarHBondContact O-CA 3.44Å; S19-R39 PolarHBondContact N-O 3.06Å; S19-R39 PolarHBondContact O-N 2.84Å; S19-R39 WeakPolarHBondContact OG-CB 3.47Å; S19-R39 PolarHBondContact OG-O 3.03Å; S19-R39 VanDerWaalsContact OG-O 3.12Å; S19-A85 CarbonylContact C-O 3.52Å; S19-A85 VanDerWaalsContact CA-O 3.29Å; S19-A85 WeakPolarHBondContact CA-O 3.49Å
20L97.2Very high93.7Very high3 Ų360.6 Ų60.62%0.01634%0.339CS..EExtended strand (participates in β ladder)trans-101.2144176.7-77.1169.3000110.5F18 L22 Y37 V38 L51 L69 F73 I83 A85 V86 A87F18-L20 HydrophobicContact CD2-CG 4.41Å; F18-L20 HydrophobicContact CE2-CD2 4.17Å; F18-L20 HydrophobicContact CE2-CG 4.13Å; L20-L22 HydrophobicContact CB-CD2 4.37Å; L20-L22 HydrophobicContact CB-CG 4.38Å; L20-L22 HydrophobicContact CD2-CD2 4.46Å; L20-Y37 CarbonylContact C-O 3.59Å; L20-Y37 WeakPolarHBondContact CA-O 3.34Å; L20-V38 HydrophobicContact CD2-CG1 3.72Å; L20-L51 HydrophobicContact CD2-CD2 4.44Å; L20-L69 HydrophobicContact CD1-CD1 3.91Å; L20-L69 HydrophobicContact CD1-CD2 4.49Å; L20-F73 HydrophobicContact CD1-CZ 4.19Å; L20-F73 HydrophobicContact CD2-CZ 4.36Å; L20-I83 HydrophobicContact CB-CG2 4.48Å; L20-I83 HydrophobicContact CD1-CD1 3.6Å; L20-I83 HydrophobicContact CD1-CG1 4Å; L20-I83 HydrophobicContact CD1-CG2 3.82Å; L20-I83 HydrophobicContact CG-CG2 4.07Å; L20-A85 PolarHBondContact N-O 2.87Å; L20-V86 HydrophobicContact CB-CB 4.43Å; L20-V86 HydrophobicContact CB-CG2 4.01Å; L20-V86 CarbonylContact O-C 3.55Å; L20-V86 WeakPolarHBondContact O-CA 3.45Å; L20-A87 PolarHBondContact O-N 3.17Å
21Q96.5Very high93.4Very high65 Ų6563.8 Ų63.830%0.30435%0.353SS..EExtended strand (participates in β ladder)trans-123.4120.5162.8-175.6173.5-11.600108Y37 A87Q21-Y37 PolarHBondContact N-O 2.87Å; Q21-Y37 PolarHBondContact O-N 3.09Å; Q21-A87 WeakPolarHBondContact CA-O 3.32Å; Q21-A87 HydrophobicContact CB-CB 4.28Å; Q21-A87 HydrophobicContact CG-CB 4.11Å
22L95.8Very high93.1Very high3 Ų360 Ų602%0.01634%0.338CS..EExtended strand (participates in β ladder)trans-117.3132.8-171-61.4-177.9000109.3L20 F34 L35 A36 L69 V86 A87 T88 M94 F101L20-L22 HydrophobicContact CB-CD2 4.37Å; L20-L22 HydrophobicContact CB-CG 4.38Å; L20-L22 HydrophobicContact CD2-CD2 4.46Å; L22-F34 HydrophobicContact CB-CE2 3.97Å; L22-F34 HydrophobicContact CB-CZ 4.45Å; L22-F34 HydrophobicContact CD1-CE2 4.28Å; L22-F34 HydrophobicContact CD1-CZ 4.01Å; L22-F34 HydrophobicContact CD2-CE2 3.96Å; L22-F34 HydrophobicContact CD2-CZ 3.71Å; L22-F34 HydrophobicContact CG-CE2 4.28Å; L22-F34 HydrophobicContact CG-CZ 4.26Å; L22-L35 WeakPolarHBondContact CA-O 3.48Å; L22-A36 HydrophobicContact CD2-CB 3.78Å; L22-L69 HydrophobicContact CD1-CD1 4.43Å; L22-L69 HydrophobicContact CD2-CD1 4.01Å; L22-V86 HydrophobicContact CD1-CG2 3.63Å; L22-V86 HydrophobicContact CG-CG2 3.93Å; L22-A87 PolarHBondContact N-O 3.26Å; L22-T88 HydrophobicContact CB-CG2 4.36Å; L22-M94 HydrophobicContact CB-CE 3.61Å; L22-M94 HydrophobicContact CD1-CE 4.04Å; L22-F101 HydrophobicContact CD1-CD1 3.98Å; L22-F101 HydrophobicContact CD1-CE1 3.32Å; L22-F101 HydrophobicContact CD1-CE2 3.94Å; L22-F101 HydrophobicContact CD1-CZ 3.29Å
23D93.2Very high93.1Very high68 Ų6859.4 Ų59.436%0.36434%0.337SS..EExtended strand (participates in β ladder)trans-140.5148.3177.4-158.828.8000111L35D23-L35 PolarHBondContact N-O 3.35Å; D23-L35 PolarHBondContact O-N 3.13Å
24E91.1Very high92.9Very high64 Ų6459.4 Ų59.430%0.29934%0.337SS..EExtended strand (participates in β ladder)trans-108.2131.3171.5-173.7-173.1117.500108.3L33 L56 T60E24-L33 WeakPolarHBondContact CA-O 3.41Å; E24-L56 HydrophobicContact CG-CD1 4.42Å; E24-T60 VanDerWaalsContact CD-CG2 3.45Å; E24-T60 VanDerWaalsContact OE1-CG2 3.31Å; E24-T60 WeakPolarHBondContact OE1-CG2 3.29Å; E24-T60 WeakPolarHBondContact OE2-CB 3.34Å; E24-T60 WeakPolarHBondContact OE2-CG2 3.39Å
25S89.9Confident92.8Very high45 Ų4558.4 Ų58.432%0.31533%0.333SS..EExtended strand (participates in β ladder)trans-126.3147.5174.8-77.40000109.9L33S25-L33 PolarHBondContact N-O 3.19Å; S25-L33 PolarHBondContact O-N 3.02Å
26I88.8Confident92.8Very high115 Ų11552.8 Ų52.859%0.5930%0.299SS*.EExtended strand (participates in β ladder)trans-105.4123.8176.8-59.3174.2000107.9
27L88.3Confident92.9Very high74 Ų7454.6 Ų54.639%0.38730%0.302SS..  trans-76.5159.8173.2-67.7-174.1000111G29 N30 E31 L33L27-G29 PolarHBondContact O-N 3.33Å; L27-G29 VanDerWaalsContact O-N 3.1Å; L27-N30 PolarHBondContact O-N 3.46Å; L27-E31 HydrophobicContact CB-CB 4.3Å; L27-E31 WeakPolarHBondContact CB-OE2 3.34Å; L27-E31 HydrophobicContact CD1-CB 4.35Å; L27-E31 PolarHBondContact N-O 2.92Å; L27-L33 HydrophobicContact CD1-CD1 3.7Å; L27-L33 HydrophobicContact CG-CD1 4.08Å
28P86.2Confident92.9Very high140 Ų14048.4 Ų48.491%0.90927%0.273SS*.THydrogen-bonded Turntrans-58.4-23.8-179-26.635.7000115.4N30P28-N30 PolarHBondContact O-N 3.27Å
29G87Confident92.8Very high53 Ų5353.7 Ų53.755%0.54629%0.293SS..THydrogen-bonded Turntrans-83.38.2175.500000113.9L27 E31L27-G29 PolarHBondContact O-N 3.33Å; L27-G29 VanDerWaalsContact O-N 3.1Å; G29-E31 VanDerWaalsContact C-CD 3.5Å; G29-E31 VanDerWaalsContact C-N 3.27Å; G29-E31 WeakPolarHBondContact CA-OE2 3.35Å; G29-E31 PolarHBondContact N-OE2 2.91Å; G29-E31 VanDerWaalsContact N-OE2 3.11Å
30N82.2Confident92.8Very high136 Ų13652.9 Ų52.973%0.72729%0.286SS*.SBendtrans69.920.2-176.8-158.659.1000113.8L27 P28L27-N30 PolarHBondContact O-N 3.46Å; P28-N30 PolarHBondContact O-N 3.27Å
31E89.7Confident92.8Very high70 Ų7058.3 Ų58.333%0.32731%0.314SS..  trans-79.2132.1169.6-49.587.7166.200109.9L27 G29 E55L27-E31 HydrophobicContact CB-CB 4.3Å; L27-E31 WeakPolarHBondContact CB-OE2 3.34Å; L27-E31 HydrophobicContact CD1-CB 4.35Å; L27-E31 PolarHBondContact N-O 2.92Å; G29-E31 VanDerWaalsContact C-CD 3.5Å; G29-E31 VanDerWaalsContact C-N 3.27Å; G29-E31 WeakPolarHBondContact CA-OE2 3.35Å; G29-E31 PolarHBondContact N-OE2 2.91Å; G29-E31 VanDerWaalsContact N-OE2 3.11Å; E31-E55 HydrophobicContact CB-CG 4.38Å
32A91.8Very high92.7Very high14 Ų1460.5 Ų60.512%0.11632%0.322CS..EExtended strand (participates in β ladder)trans-86.9127.3174.200000109.7E55 L56 T60A32-E55 CarbonylContact O-C 3.59Å; A32-E55 WeakPolarHBondContact O-CA 3.35Å; A32-L56 HydrophobicContact CB-CB 4.04Å; A32-L56 HydrophobicContact CB-CD1 4.28Å; A32-L56 PolarHBondContact O-N 2.95Å; A32-T60 HydrophobicContact CB-CG2 3.64Å
33L94.5Very high92.6Very high36 Ų3664.9 Ų64.919%0.18836%0.359CS..EExtended strand (participates in β ladder)trans-109.1127.8178.2-140.396.9000109.5E24 S25 L27 L35 A53E24-L33 WeakPolarHBondContact CA-O 3.41Å; S25-L33 PolarHBondContact N-O 3.19Å; S25-L33 PolarHBondContact O-N 3.02Å; L27-L33 HydrophobicContact CD1-CD1 3.7Å; L27-L33 HydrophobicContact CG-CD1 4.08Å; L33-L35 HydrophobicContact CD2-CD2 3.71Å; L33-L35 HydrophobicContact CD2-CG 4.17Å; L33-A53 HydrophobicContact CD2-CB 3.92Å
34F95.1Very high92.6Very high1 Ų170.8 Ų70.80%0.00438%0.384CS..EExtended strand (participates in β ladder)trans-99.1115.8172-178.1-139.2000110.1L22 F52 A53 K54 L56 I65 V68 L69 M94L22-F34 HydrophobicContact CB-CE2 3.97Å; L22-F34 HydrophobicContact CB-CZ 4.45Å; L22-F34 HydrophobicContact CD1-CE2 4.28Å; L22-F34 HydrophobicContact CD1-CZ 4.01Å; L22-F34 HydrophobicContact CD2-CE2 3.96Å; L22-F34 HydrophobicContact CD2-CZ 3.71Å; L22-F34 HydrophobicContact CG-CE2 4.28Å; L22-F34 HydrophobicContact CG-CZ 4.26Å; F34-F52 AromaticContact CD1-CE2 3.64Å; F34-F52 HydrophobicContact CD1-CE2 3.64Å; F34-F52 HydrophobicContact CD1-CZ 4.02Å; F34-F52 AromaticContact CE1-CE2 3.87Å; F34-F52 HydrophobicContact CE1-CE2 3.87Å; F34-F52 AromaticContact CE1-CZ 3.77Å; F34-F52 HydrophobicContact CE1-CZ 3.77Å; F34-F52 HydrophobicContact CG-CE2 4.39Å; F34-A53 WeakPolarHBondContact O-CA 3.36Å; F34-K54 PolarHBondContact N-O 3.16Å; F34-K54 PolarHBondContact O-N 3.04Å; F34-L56 HydrophobicContact CB-CD1 4.03Å; F34-L56 HydrophobicContact CB-CD2 3.92Å; F34-L56 HydrophobicContact CB-CG 3.81Å; F34-L56 HydrophobicContact CG-CD2 4.48Å; F34-I65 HydrophobicContact CD1-CG2 4.21Å; F34-I65 HydrophobicContact CD2-CG2 3.93Å; F34-I65 HydrophobicContact CE1-CG2 3.78Å; F34-I65 HydrophobicContact CE2-CG2 3.46Å; F34-I65 VanDerWaalsContact CE2-CG2 3.46Å; F34-I65 HydrophobicContact CG-CG2 4.29Å; F34-I65 HydrophobicContact CZ-CG2 3.39Å; F34-V68 HydrophobicContact CD1-CB 4.34Å; F34-V68 HydrophobicContact CD1-CG1 3.93Å; F34-V68 HydrophobicContact CE1-CG1 4.5Å; F34-L69 HydrophobicContact CE1-CB 4.16Å; F34-L69 HydrophobicContact CE1-CD1 4.4Å; F34-L69 HydrophobicContact CZ-CD1 4.31Å; F34-M94 HydrophobicContact CE2-CE 4.35Å
35L95.7Very high92.8Very high23 Ų2374.3 Ų74.312%0.1240%0.401CS..EExtended strand (participates in β ladder)trans-103.7128.4-178.7-65.5166.6000109.4L22 D23 L33 Y37 M50 A53L22-L35 WeakPolarHBondContact CA-O 3.48Å; D23-L35 PolarHBondContact N-O 3.35Å; D23-L35 PolarHBondContact O-N 3.13Å; L33-L35 HydrophobicContact CD2-CD2 3.71Å; L33-L35 HydrophobicContact CD2-CG 4.17Å; L35-Y37 HydrophobicContact CB-CE2 4.22Å; L35-M50 HydrophobicContact CD2-CE 4.15Å; L35-A53 HydrophobicContact CD2-CB 3.6Å
36A96.9Very high93.1Very high0 Ų076.9 Ų76.90%041%0.414CS..EExtended strand (participates in β ladder)trans-120.2124.5173.100000110.2L22 L51 F52L22-A36 HydrophobicContact CD2-CB 3.78Å; A36-L51 HydrophobicContact CB-CB 4.29Å; A36-L51 WeakPolarHBondContact O-CB 3.35Å; A36-L51 PolarHBondContact O-N 3.39Å; A36-F52 HydrophobicContact CB-CD1 4Å; A36-F52 HydrophobicContact CB-CD2 4.04Å; A36-F52 HydrophobicContact CB-CE1 3.66Å; A36-F52 HydrophobicContact CB-CE2 3.7Å; A36-F52 HydrophobicContact CB-CG 4.18Å; A36-F52 HydrophobicContact CB-CZ 3.5Å; A36-F52 VanDerWaalsContact CB-CZ 3.5Å; A36-F52 PolarHBondContact N-O 3.32Å; A36-F52 PolarHBondContact O-N 3.41Å
37Y97Very high93.5Very high72 Ų7273 Ų7328%0.28240%0.396SS..EExtended strand (participates in β ladder)trans-112.2145.9169.3-66.6-96000109.6L20 Q21 L35 E49 M50L20-Y37 CarbonylContact C-O 3.59Å; L20-Y37 WeakPolarHBondContact CA-O 3.34Å; Q21-Y37 PolarHBondContact N-O 2.87Å; Q21-Y37 PolarHBondContact O-N 3.09Å; L35-Y37 HydrophobicContact CB-CE2 4.22Å; Y37-E49 CarbonylContact C-O 3.6Å; Y37-E49 WeakPolarHBondContact CA-O 3.42Å; Y37-M50 HydrophobicContact CD1-CB 3.98Å; Y37-M50 HydrophobicContact CE1-CB 3.79Å; Y37-M50 HydrophobicContact CE1-CE 3.94Å; Y37-M50 HydrophobicContact CE1-CG 4.25Å; Y37-M50 HydrophobicContact CE2-CE 4.34Å; Y37-M50 WeakPolarHBondContact OH-CE 3.41Å
38V97.5Very high93.9Very high1 Ų173.6 Ų73.61%0.00640%0.397CS..EExtended strand (participates in β ladder)trans-112.4141.8173.5-72.30000109.8L9 L13 F18 S19 L20 F40 Q48 E49 L51L9-V38 HydrophobicContact CD1-CG2 4.23Å; L9-V38 HydrophobicContact CD2-CG2 4.09Å; L13-V38 HydrophobicContact CD1-CB 4.43Å; L13-V38 HydrophobicContact CD1-CG1 3.93Å; L13-V38 HydrophobicContact CD1-CG2 4.19Å; L13-V38 HydrophobicContact CD2-CB 4.38Å; L13-V38 HydrophobicContact CD2-CG1 4.5Å; L13-V38 HydrophobicContact CD2-CG2 4.41Å; F18-V38 HydrophobicContact CD2-CB 4.3Å; F18-V38 HydrophobicContact CD2-CG1 3.76Å; F18-V38 HydrophobicContact CE2-CG1 3.89Å; S19-V38 CarbonylContact O-C 3.54Å; S19-V38 WeakPolarHBondContact O-CA 3.44Å; L20-V38 HydrophobicContact CD2-CG1 3.72Å; V38-F40 HydrophobicContact CB-CD1 4.35Å; V38-F40 HydrophobicContact CG2-CD1 4.16Å; V38-F40 HydrophobicContact CG2-CE1 3.9Å; V38-Q48 VanDerWaalsContact O-CA 3.31Å; V38-Q48 WeakPolarHBondContact O-CA 3.48Å; V38-E49 HydrophobicContact CG2-CB 4.16Å; V38-E49 PolarHBondContact N-O 2.79Å; V38-E49 PolarHBondContact O-N 2.83Å; V38-L51 HydrophobicContact CG1-CB 4.03Å; V38-L51 HydrophobicContact CG1-CD1 4.4Å; V38-L51 HydrophobicContact CG1-CD2 3.88Å; V38-L51 HydrophobicContact CG1-CG 4.33Å; V38-L51 HydrophobicContact CG2-CB 4.41Å
39R97.7Very high94.4Very high115 Ų11571.2 Ų71.243%0.43437%0.374SS..EExtended strand (participates in β ladder)trans-128125.3172.3178.2-175.2-73.4-163.4-1.2109.7F18 S19 V46 V47F18-R39 WeakPolarHBondContact CA-O 3.36Å; S19-R39 PolarHBondContact N-O 3.06Å; S19-R39 PolarHBondContact O-N 2.84Å; S19-R39 WeakPolarHBondContact OG-CB 3.47Å; S19-R39 PolarHBondContact OG-O 3.03Å; S19-R39 VanDerWaalsContact OG-O 3.12Å; R39-V46 HydrophobicContact CG-CG1 3.5Å; R39-V47 VanDerWaalsContact CA-O 3.27Å; R39-V47 WeakPolarHBondContact CA-O 3.43Å
40F97.4Very high94.8Very high13 Ų1372.9 Ų72.96%0.05737%0.368CS..EExtended strand (participates in β ladder)trans-145.2169.6-175.352.8-93000110.8L9 F12 L13 F18 V38 K42 V47 E49L9-F40 HydrophobicContact CD1-CE1 3.56Å; L9-F40 HydrophobicContact CD1-CZ 3.73Å; F12-F40 HydrophobicContact CD1-CD2 4.05Å; F12-F40 AromaticContact CD1-CE2 3.97Å; F12-F40 HydrophobicContact CD1-CE2 3.97Å; F12-F40 HydrophobicContact CD1-CG 4.45Å; F12-F40 HydrophobicContact CD1-CZ 4.35Å; F12-F40 HydrophobicContact CE1-CB 4.36Å; F12-F40 AromaticContact CE1-CD2 3.26Å; F12-F40 HydrophobicContact CE1-CD2 3.26Å; F12-F40 AromaticContact CE1-CE2 3.54Å; F12-F40 HydrophobicContact CE1-CE2 3.54Å; F12-F40 AromaticContact CE1-CG 3.82Å; F12-F40 HydrophobicContact CE1-CG 3.82Å; F12-F40 HydrophobicContact CE1-CZ 4.32Å; F12-F40 AromaticContact CZ-CD2 3.98Å; F12-F40 HydrophobicContact CZ-CD2 3.98Å; F12-F40 HydrophobicContact CZ-CE2 4.24Å; L13-F40 HydrophobicContact CD2-CD1 3.92Å; L13-F40 HydrophobicContact CD2-CE1 4.31Å; F18-F40 HydrophobicContact CB-CB 3.91Å; V38-F40 HydrophobicContact CB-CD1 4.35Å; V38-F40 HydrophobicContact CG2-CD1 4.16Å; V38-F40 HydrophobicContact CG2-CE1 3.9Å; F40-K42 HydrophobicContact CD2-CB 4.17Å; F40-K42 HydrophobicContact CE2-CB 4.07Å; F40-K42 HydrophobicContact CE2-CD 4.35Å; F40-V47 HydrophobicContact CD2-CB 4.13Å; F40-V47 HydrophobicContact CE1-CG1 4.46Å; F40-V47 HydrophobicContact CE2-CB 3.7Å; F40-V47 HydrophobicContact CE2-CG1 3.87Å; F40-V47 HydrophobicContact CE2-CG2 4.35Å; F40-V47 HydrophobicContact CZ-CB 4.01Å; F40-V47 HydrophobicContact CZ-CG1 3.72Å; F40-V47 PolarHBondContact N-O 3.12Å; F40-V47 PolarHBondContact O-N 3.22Å; F40-E49 HydrophobicContact CE1-CG 4.41Å; F40-E49 HydrophobicContact CZ-CG 4.29Å
41I96.3Very high95.4Very high116 Ų11666.9 Ų66.960%0.59534%0.336SS*.EExtended strand (participates in β ladder)trans-101126.3176.6-60.9172.3000108.5Q45I41-Q45 WeakPolarHBondContact CA-O 2.82Å
42K94.2Very high95.7Very high112 Ų11264.3 Ų64.349%0.48732%0.324SS..EExtended strand (participates in β ladder)trans-136.2125.1174.1-173.7177.2-177.9177.90108.5F12 F40 E44 Q45 V47F12-K42 HydrophobicContact CE2-CD 4.46Å; F12-K42 HydrophobicContact CE2-CG 4.45Å; F12-K42 HydrophobicContact CZ-CB 4.29Å; F12-K42 HydrophobicContact CZ-CD 4.49Å; F12-K42 HydrophobicContact CZ-CG 4.34Å; F40-K42 HydrophobicContact CD2-CB 4.17Å; F40-K42 HydrophobicContact CE2-CB 4.07Å; F40-K42 HydrophobicContact CE2-CD 4.35Å; K42-E44 VanDerWaalsContact C-N 3.32Å; K42-E44 PolarHBondContact O-N 2.83Å; K42-Q45 PolarHBondContact N-O 3.12Å; K42-Q45 PolarHBondContact O-N 2.98Å; K42-V47 HydrophobicContact CB-CG2 4.04Å
43A93.9Very high95.9Very high95 Ų9566 Ų6679%0.78534%0.338SS*.THydrogen-bonded Turntrans49.250.3-176.800000113Q45A43-Q45 PolarHBondContact O-N 3.48Å
44E93.8Very high95.9Very high191 Ų19167.5 Ų67.589%0.89334%0.343SS*.THydrogen-bonded Turntrans62.57.1-179.5-54.5-177.417600115.7K42K42-E44 VanDerWaalsContact C-N 3.32Å; K42-E44 PolarHBondContact O-N 2.83Å
45Q95.9Very high95.8Very high138 Ų13872.6 Ų72.665%0.64537%0.367SS*.EExtended strand (participates in β ladder)trans-109.4142.1176.3-64.4-171.6-14.100111.2I41 K42 A43 V47I41-Q45 WeakPolarHBondContact CA-O 2.82Å; K42-Q45 PolarHBondContact N-O 3.12Å; K42-Q45 PolarHBondContact O-N 2.98Å; A43-Q45 PolarHBondContact O-N 3.48Å; Q45-V47 PolarHBondContact O-N 2.85Å
46V95.9Very high95.6Very high99 Ų9972 Ų7260%0.636%0.364SS*.EExtended strand (participates in β ladder)trans-76.6115.8169.5178.60000107.8R39R39-V46 HydrophobicContact CG-CG1 3.5Å
47V96.6Very high95Very high34 Ų3477.8 Ų77.821%0.20640%0.399CS..EExtended strand (participates in β ladder)trans-106.1140177.1-179.60000108.5R39 F40 K42 Q45 E49R39-V47 VanDerWaalsContact CA-O 3.27Å; R39-V47 WeakPolarHBondContact CA-O 3.43Å; F40-V47 HydrophobicContact CD2-CB 4.13Å; F40-V47 HydrophobicContact CE1-CG1 4.46Å; F40-V47 HydrophobicContact CE2-CB 3.7Å; F40-V47 HydrophobicContact CE2-CG1 3.87Å; F40-V47 HydrophobicContact CE2-CG2 4.35Å; F40-V47 HydrophobicContact CZ-CB 4.01Å; F40-V47 HydrophobicContact CZ-CG1 3.72Å; F40-V47 PolarHBondContact N-O 3.12Å; F40-V47 PolarHBondContact O-N 3.22Å; K42-V47 HydrophobicContact CB-CG2 4.04Å; Q45-V47 PolarHBondContact O-N 2.85Å; V47-E49 HydrophobicContact CG1-CG 4.01Å
48Q96.4Very high94.2Very high87 Ų8779.8 Ų79.841%0.40742%0.419SS..EExtended strand (participates in β ladder)trans-127127.2173.9-177.6178.1-48.900109.1V38V38-Q48 VanDerWaalsContact O-CA 3.31Å; V38-Q48 WeakPolarHBondContact O-CA 3.48Å
49E96.1Very high93.9Very high90 Ų9081.8 Ų81.842%0.42143%0.429SS..EExtended strand (participates in β ladder)trans-133.2150.1-178.4-69.3-71.1176.600110.1L9 Y37 V38 F40 V47L9-E49 HydrophobicContact CD1-CB 4.44Å; L9-E49 HydrophobicContact CD2-CB 3.85Å; Y37-E49 CarbonylContact C-O 3.6Å; Y37-E49 WeakPolarHBondContact CA-O 3.42Å; V38-E49 HydrophobicContact CG2-CB 4.16Å; V38-E49 PolarHBondContact N-O 2.79Å; V38-E49 PolarHBondContact O-N 2.83Å; F40-E49 HydrophobicContact CE1-CG 4.41Å; F40-E49 HydrophobicContact CZ-CG 4.29Å; V47-E49 HydrophobicContact CG1-CG 4.01Å
50M95.6Very high93.5Very high88 Ų8879 Ų7943%0.43343%0.425SS..EExtended strand (participates in β ladder)trans-75.2124.2168.2-178.1-179-79.400108.4L35 Y37 A53L35-M50 HydrophobicContact CD2-CE 4.15Å; Y37-M50 HydrophobicContact CD1-CB 3.98Å; Y37-M50 HydrophobicContact CE1-CB 3.79Å; Y37-M50 HydrophobicContact CE1-CE 3.94Å; Y37-M50 HydrophobicContact CE1-CG 4.25Å; Y37-M50 HydrophobicContact CE2-CE 4.34Å; Y37-M50 WeakPolarHBondContact OH-CE 3.41Å; M50-A53 HydrophobicContact SD-CB 4.35Å
51L96.4Very high93.3Very high10 Ų1085.4 Ų85.45%0.05245%0.449CS..EExtended strand (participates in β ladder)trans-83.2-51.7176.9-175.463.8000110.8L9 L13 L20 A36 V38 F72 F73L9-L51 HydrophobicContact CD2-CD1 4.22Å; L13-L51 HydrophobicContact CD1-CD1 3.61Å; L20-L51 HydrophobicContact CD2-CD2 4.44Å; A36-L51 HydrophobicContact CB-CB 4.29Å; A36-L51 WeakPolarHBondContact O-CB 3.35Å; A36-L51 PolarHBondContact O-N 3.39Å; V38-L51 HydrophobicContact CG1-CB 4.03Å; V38-L51 HydrophobicContact CG1-CD1 4.4Å; V38-L51 HydrophobicContact CG1-CD2 3.88Å; V38-L51 HydrophobicContact CG1-CG 4.33Å; V38-L51 HydrophobicContact CG2-CB 4.41Å; L51-F72 HydrophobicContact CD1-CE1 3.85Å; L51-F72 HydrophobicContact CD1-CZ 4.19Å; L51-F72 HydrophobicContact CD2-CD1 4.27Å; L51-F72 HydrophobicContact CD2-CE1 3.83Å; L51-F72 HydrophobicContact CG-CE1 3.67Å; L51-F72 HydrophobicContact CG-CZ 4.09Å; L51-F73 HydrophobicContact CD2-CE2 3.75Å; L51-F73 HydrophobicContact CD2-CZ 4.15Å
52F95.7Very high93.2Very high15 Ų1580 Ų807%0.06642%0.422CS..EExtended strand (participates in β ladder)trans-158.9164.2174.363-107.3000111.9F34 A36 K54 L69 F72F34-F52 AromaticContact CD1-CE2 3.64Å; F34-F52 HydrophobicContact CD1-CE2 3.64Å; F34-F52 HydrophobicContact CD1-CZ 4.02Å; F34-F52 AromaticContact CE1-CE2 3.87Å; F34-F52 HydrophobicContact CE1-CE2 3.87Å; F34-F52 AromaticContact CE1-CZ 3.77Å; F34-F52 HydrophobicContact CE1-CZ 3.77Å; F34-F52 HydrophobicContact CG-CE2 4.39Å; A36-F52 HydrophobicContact CB-CD1 4Å; A36-F52 HydrophobicContact CB-CD2 4.04Å; A36-F52 HydrophobicContact CB-CE1 3.66Å; A36-F52 HydrophobicContact CB-CE2 3.7Å; A36-F52 HydrophobicContact CB-CG 4.18Å; A36-F52 HydrophobicContact CB-CZ 3.5Å; A36-F52 VanDerWaalsContact CB-CZ 3.5Å; A36-F52 PolarHBondContact N-O 3.32Å; A36-F52 PolarHBondContact O-N 3.41Å; F52-K54 HydrophobicContact CB-CG 4.48Å; F52-K54 HydrophobicContact CD2-CB 4.08Å; F52-K54 HydrophobicContact CD2-CD 4.31Å; F52-K54 HydrophobicContact CD2-CG 3.8Å; F52-K54 HydrophobicContact CE2-CB 4.36Å; F52-K54 HydrophobicContact CE2-CG 4.37Å; F52-K54 HydrophobicContact CG-CG 4.31Å; F52-L69 HydrophobicContact CZ-CD1 4.4Å; F52-F72 HydrophobicContact CB-CD2 4.48Å; F52-F72 HydrophobicContact CB-CE2 4.08Å; F52-F72 HydrophobicContact CB-CZ 4.38Å; F52-F72 HydrophobicContact CD1-CB 4.31Å; F52-F72 AromaticContact CD1-CD1 3.61Å; F52-F72 HydrophobicContact CD1-CD1 3.61Å; F52-F72 AromaticContact CD1-CD2 3.75Å; F52-F72 HydrophobicContact CD1-CD2 3.75Å; F52-F72 AromaticContact CD1-CE1 3.76Å; F52-F72 HydrophobicContact CD1-CE1 3.76Å; F52-F72 AromaticContact CD1-CE2 3.87Å; F52-F72 HydrophobicContact CD1-CE2 3.87Å; F52-F72 AromaticContact CD1-CG 3.59Å; F52-F72 HydrophobicContact CD1-CG 3.59Å; F52-F72 AromaticContact CD1-CZ 3.87Å; F52-F72 HydrophobicContact CD1-CZ 3.87Å; F52-F72 HydrophobicContact CE1-CB 4.02Å; F52-F72 AromaticContact CE1-CD1 3.74Å; F52-F72 HydrophobicContact CE1-CD1 3.74Å; F52-F72 HydrophobicContact CE1-CD2 4.32Å; F52-F72 HydrophobicContact CE1-CE1 4.29Å; F52-F72 AromaticContact CE1-CG 3.75Å; F52-F72 HydrophobicContact CE1-CG 3.75Å; F52-F72 HydrophobicContact CG-CD2 4.32Å; F52-F72 HydrophobicContact CG-CE2 4.34Å
53A94.9Very high93.1Very high51 Ų5178.9 Ų78.942%0.42142%0.418SS..EExtended strand (participates in β ladder)trans-129.8109.9165.100000107.3L33 F34 L35 M50L33-A53 HydrophobicContact CD2-CB 3.92Å; F34-A53 WeakPolarHBondContact O-CA 3.36Å; L35-A53 HydrophobicContact CD2-CB 3.6Å; M50-A53 HydrophobicContact SD-CB 4.35Å
54K94.4Very high93.1Very high66 Ų6675 Ų7529%0.28739%0.386SS..EExtended strand (participates in β ladder)trans-121.3142.2-177.1-74.7-167.3172.8-167.50110.5F34 F52 V68 E75F34-K54 PolarHBondContact N-O 3.16Å; F34-K54 PolarHBondContact O-N 3.04Å; F52-K54 HydrophobicContact CB-CG 4.48Å; F52-K54 HydrophobicContact CD2-CB 4.08Å; F52-K54 HydrophobicContact CD2-CD 4.31Å; F52-K54 HydrophobicContact CD2-CG 3.8Å; F52-K54 HydrophobicContact CE2-CB 4.36Å; F52-K54 HydrophobicContact CE2-CG 4.37Å; F52-K54 HydrophobicContact CG-CG 4.31Å; K54-V68 HydrophobicContact CB-CG1 4.07Å; K54-V68 HydrophobicContact CD-CG1 3.91Å; K54-E75 IonicContact NZ-OE2 2.78Å
55E92.7Very high93.2Very high108 Ų10866 Ų6651%0.50534%0.343SS..EExtended strand (participates in β ladder)trans-74.2137.6173.4-169-179167.900110.7E31 A32 V57E31-E55 HydrophobicContact CB-CG 4.38Å; A32-E55 CarbonylContact O-C 3.59Å; A32-E55 WeakPolarHBondContact O-CA 3.35Å; E55-V57 PolarHBondContact O-N 2.9Å
56L92.8Very high93.2Very high11 Ų1160.2 Ų60.26%0.05832%0.316CS..  trans-90.389.9171.1-66.4173.1000108.7E24 A32 F34 T58 T60 I65 V68E24-L56 HydrophobicContact CG-CD1 4.42Å; A32-L56 HydrophobicContact CB-CB 4.04Å; A32-L56 HydrophobicContact CB-CD1 4.28Å; A32-L56 PolarHBondContact O-N 2.95Å; F34-L56 HydrophobicContact CB-CD1 4.03Å; F34-L56 HydrophobicContact CB-CD2 3.92Å; F34-L56 HydrophobicContact CB-CG 3.81Å; F34-L56 HydrophobicContact CG-CD2 4.48Å; L56-T58 VanDerWaalsContact C-N 3.31Å; L56-T58 PolarHBondContact O-N 3.11Å; L56-T60 HydrophobicContact CD1-CG2 4.06Å; L56-I65 HydrophobicContact CD1-CD1 4.47Å; L56-I65 HydrophobicContact CD1-CG1 3.96Å; L56-I65 HydrophobicContact CD2-CG1 4.18Å; L56-V68 HydrophobicContact CD2-CG2 3.97Å
57V84.4Confident93.2Very high121 Ų12159.2 Ų59.273%0.73331%0.307SS*.SBendtrans-65.9-31-172.4-177.30000113.2E55E55-V57 PolarHBondContact O-N 2.9Å
58T80.4Confident93.2Very high115 Ų11559.2 Ų59.271%0.70631%0.307SS*.SBendtrans-96.1-68.2-172.348.50000112.7L56L56-T58 VanDerWaalsContact C-N 3.31Å; L56-T58 PolarHBondContact O-N 3.11Å
59D89.7Confident93.2Very high42 Ų4255 Ų5523%0.22529%0.287CS..  trans-158.7173.2-177.36262.9000110.8R61 S64D59-R61 HydrophobicContact CB-CG 4.42Å; D59-R61 WeakPolarHBondContact OD1-CB 3.43Å; D59-R61 VanDerWaalsContact OD1-CG 3.25Å; D59-R61 WeakPolarHBondContact OD1-CG 2.82Å; D59-R61 PolarHBondContact OD1-N 3.43Å; D59-R61 IonicContact OD1-NE 2.77Å; D59-R61 PolarHBondContact OD1-NE 3.34Å; D59-R61 IonicContact OD2-CZ 2.73Å; D59-R61 IonicContact OD2-NE 2.67Å; D59-R61 PolarHBondContact OD2-NE 2.78Å; D59-R61 IonicContact OD2-NH2 3.12Å; D59-R61 PolarHBondContact OD2-NH2 3.04Å; D59-S64 VanDerWaalsContact CG-OG 3.29Å; D59-S64 VanDerWaalsContact OD1-CB 3.27Å; D59-S64 WeakPolarHBondContact OD1-CB 3.3Å; D59-S64 PolarHBondContact OD1-OG 2.95Å; D59-S64 PolarHBondContact OD2-OG 2.9Å
60T89.9Confident93.2Very high56 Ų5653.6 Ų53.634%0.34428%0.28SS..  trans-101.725.9-179.654.80000112.4E24 A32 L56 A93E24-T60 VanDerWaalsContact CD-CG2 3.45Å; E24-T60 VanDerWaalsContact OE1-CG2 3.31Å; E24-T60 WeakPolarHBondContact OE1-CG2 3.29Å; E24-T60 WeakPolarHBondContact OE2-CB 3.34Å; E24-T60 WeakPolarHBondContact OE2-CG2 3.39Å; A32-T60 HydrophobicContact CB-CG2 3.64Å; L56-T60 HydrophobicContact CD1-CG2 4.06Å; T60-A93 WeakPolarHBondContact O-CB 3.4Å
61R93.3Very high93.3Very high149 Ų14953.5 Ų53.556%0.56228%0.281SS*.  trans-73.8147.8176.4-62.1-179.2-70.5168.2-5.3109.9D59 E63 S64 I65D59-R61 HydrophobicContact CB-CG 4.42Å; D59-R61 WeakPolarHBondContact OD1-CB 3.43Å; D59-R61 VanDerWaalsContact OD1-CG 3.25Å; D59-R61 WeakPolarHBondContact OD1-CG 2.82Å; D59-R61 PolarHBondContact OD1-N 3.43Å; D59-R61 IonicContact OD1-NE 2.77Å; D59-R61 PolarHBondContact OD1-NE 3.34Å; D59-R61 IonicContact OD2-CZ 2.73Å; D59-R61 IonicContact OD2-NE 2.67Å; D59-R61 PolarHBondContact OD2-NE 2.78Å; D59-R61 IonicContact OD2-NH2 3.12Å; D59-R61 PolarHBondContact OD2-NH2 3.04Å; R61-E63 PolarHBondContact O-N 3.12Å; R61-E63 VanDerWaalsContact O-N 3.1Å; R61-S64 PolarHBondContact O-N 3.11Å; R61-I65 WeakPolarHBondContact O-CG1 3.4Å; R61-I65 PolarHBondContact O-N 3.04Å
62G93.6Very high93.3Very high2 Ų253.3 Ų53.32%0.02128%0.28CS..Hα-helixtrans-54.5-32.7179.100000114.7F66 A93G62-F66 VanDerWaalsContact O-CB 3.27Å; G62-F66 WeakPolarHBondContact O-CB 3.3Å; G62-F66 PolarHBondContact O-N 3.2Å; G62-A93 WeakPolarHBondContact CA-O 3.34Å
63E93.9Very high93.4Very high89 Ų8952.7 Ų52.742%0.41628%0.277SS..Hα-helixtrans-67.6-46.8175.2-174173.2-167.700112.4R61 F66 L67R61-E63 PolarHBondContact O-N 3.12Å; R61-E63 VanDerWaalsContact O-N 3.1Å; E63-F66 WeakPolarHBondContact O-CB 3.44Å; E63-F66 PolarHBondContact O-N 2.92Å; E63-L67 WeakPolarHBondContact O-CG 3.46Å; E63-L67 PolarHBondContact O-N 3.27Å
64S93.8Very high93.5Very high14 Ų1455.7 Ų55.710%0.09828%0.282CS..Hα-helixtrans-62.8-43.8177-53.20000111.3D59 R61 F66 L67 V68D59-S64 VanDerWaalsContact CG-OG 3.29Å; D59-S64 VanDerWaalsContact OD1-CB 3.27Å; D59-S64 WeakPolarHBondContact OD1-CB 3.3Å; D59-S64 PolarHBondContact OD1-OG 2.95Å; D59-S64 PolarHBondContact OD2-OG 2.9Å; R61-S64 PolarHBondContact O-N 3.11Å; S64-F66 VanDerWaalsContact C-N 3.29Å; S64-F66 PolarHBondContact O-N 3.42Å; S64-L67 PolarHBondContact O-N 2.91Å; S64-V68 WeakPolarHBondContact O-CG2 3.5Å; S64-V68 PolarHBondContact O-N 3.26Å
65I95.4Very high93.7Very high1 Ų158.4 Ų58.41%0.00530%0.296CS..Hα-helixtrans-60.1-42.5175.3-63.7171.2000110.6F34 L56 R61 V68 L69 A93 M94 F101F34-I65 HydrophobicContact CD1-CG2 4.21Å; F34-I65 HydrophobicContact CD2-CG2 3.93Å; F34-I65 HydrophobicContact CE1-CG2 3.78Å; F34-I65 HydrophobicContact CE2-CG2 3.46Å; F34-I65 VanDerWaalsContact CE2-CG2 3.46Å; F34-I65 HydrophobicContact CG-CG2 4.29Å; F34-I65 HydrophobicContact CZ-CG2 3.39Å; L56-I65 HydrophobicContact CD1-CD1 4.47Å; L56-I65 HydrophobicContact CD1-CG1 3.96Å; L56-I65 HydrophobicContact CD2-CG1 4.18Å; R61-I65 WeakPolarHBondContact O-CG1 3.4Å; R61-I65 PolarHBondContact O-N 3.04Å; I65-V68 PolarHBondContact O-N 2.93Å; I65-L69 PolarHBondContact O-N 3.32Å; I65-L69 VanDerWaalsContact O-N 3.15Å; I65-A93 HydrophobicContact CD1-CB 4.49Å; I65-M94 HydrophobicContact CD1-SD 3.87Å; I65-M94 HydrophobicContact CG2-CE 4.44Å; I65-M94 HydrophobicContact CG2-SD 4.24Å; I65-F101 HydrophobicContact CB-CD2 4.33Å; I65-F101 HydrophobicContact CG2-CD2 3.73Å; I65-F101 HydrophobicContact CG2-CE2 4.3Å; I65-F101 HydrophobicContact CG2-CG 4.42Å
66F96Very high93.8Very high16 Ų1655.7 Ų55.77%0.0728%0.282CS..Hα-helixtrans-64.2-42.4178171.9-102.7000112.1G62 E63 S64 L69 K70 F101 Q104 L105 I108G62-F66 VanDerWaalsContact O-CB 3.27Å; G62-F66 WeakPolarHBondContact O-CB 3.3Å; G62-F66 PolarHBondContact O-N 3.2Å; E63-F66 WeakPolarHBondContact O-CB 3.44Å; E63-F66 PolarHBondContact O-N 2.92Å; S64-F66 VanDerWaalsContact C-N 3.29Å; S64-F66 PolarHBondContact O-N 3.42Å; F66-L69 PolarHBondContact O-N 3.2Å; F66-K70 HydrophobicContact CE1-CB 4.49Å; F66-K70 HydrophobicContact CE1-CD 4.08Å; F66-K70 HydrophobicContact CZ-CB 4.45Å; F66-K70 HydrophobicContact CZ-CD 4.25Å; F66-K70 VanDerWaalsContact O-CB 3.28Å; F66-K70 WeakPolarHBondContact O-CB 3.27Å; F66-K70 PolarHBondContact O-N 2.88Å; F66-F101 HydrophobicContact CB-CD2 3.78Å; F66-F101 HydrophobicContact CB-CE2 4.2Å; F66-F101 HydrophobicContact CD2-CD2 4.4Å; F66-F101 HydrophobicContact CD2-CE2 4.19Å; F66-Q104 HydrophobicContact CB-CB 4.05Å; F66-Q104 HydrophobicContact CB-CG 4.42Å; F66-Q104 HydrophobicContact CD1-CB 3.73Å; F66-Q104 HydrophobicContact CD1-CG 4.3Å; F66-Q104 HydrophobicContact CD2-CB 3.84Å; F66-Q104 HydrophobicContact CE1-CB 4.1Å; F66-Q104 HydrophobicContact CE2-CB 4.22Å; F66-Q104 HydrophobicContact CG-CB 3.57Å; F66-Q104 HydrophobicContact CG-CG 4.32Å; F66-Q104 HydrophobicContact CZ-CB 4.32Å; F66-L105 HydrophobicContact CD2-CB 4.47Å; F66-L105 HydrophobicContact CE2-CB 4.36Å; F66-L105 HydrophobicContact CE2-CD1 4.35Å; F66-I108 HydrophobicContact CE2-CD1 4.37Å; F66-I108 HydrophobicContact CZ-CD1 3.63Å; F66-I108 HydrophobicContact CZ-CG1 4.39Å
67L95.6Very high94.1Very high79 Ų7961.9 Ų61.941%0.41431%0.311SS..Hα-helixtrans-60.8-45.2176-71.2171.4000111.5E63 S64 L69 K70 D71E63-L67 WeakPolarHBondContact O-CG 3.46Å; E63-L67 PolarHBondContact O-N 3.27Å; S64-L67 PolarHBondContact O-N 2.91Å; L67-L69 VanDerWaalsContact C-N 3.31Å; L67-L69 PolarHBondContact O-N 2.99Å; L67-K70 PolarHBondContact O-N 3.41Å; L67-K70 VanDerWaalsContact O-N 3.17Å; L67-D71 WeakPolarHBondContact O-CB 3.38Å; L67-D71 PolarHBondContact O-N 3.21Å
68V96.2Very high94.7Very high33 Ų3356.3 Ų56.320%0.228%0.277CS..Hα-helixtrans-59.6-41.8177.6173.50000112.1F34 K54 L56 S64 I65 F72F34-V68 HydrophobicContact CD1-CB 4.34Å; F34-V68 HydrophobicContact CD1-CG1 3.93Å; F34-V68 HydrophobicContact CE1-CG1 4.5Å; K54-V68 HydrophobicContact CB-CG1 4.07Å; K54-V68 HydrophobicContact CD-CG1 3.91Å; L56-V68 HydrophobicContact CD2-CG2 3.97Å; S64-V68 WeakPolarHBondContact O-CG2 3.5Å; S64-V68 PolarHBondContact O-N 3.26Å; I65-V68 PolarHBondContact O-N 2.93Å; V68-F72 PolarHBondContact O-N 3.48Å
69L96.8Very high95.5Very high0 Ų053.4 Ų53.40%026%0.26CS..Hα-helixtrans-65.6-47.9175-173.9115.4000111.4L20 L22 F34 F52 I65 F66 L67 F72 F73 L80 F101L20-L69 HydrophobicContact CD1-CD1 3.91Å; L20-L69 HydrophobicContact CD1-CD2 4.49Å; L22-L69 HydrophobicContact CD1-CD1 4.43Å; L22-L69 HydrophobicContact CD2-CD1 4.01Å; F34-L69 HydrophobicContact CE1-CB 4.16Å; F34-L69 HydrophobicContact CE1-CD1 4.4Å; F34-L69 HydrophobicContact CZ-CD1 4.31Å; F52-L69 HydrophobicContact CZ-CD1 4.4Å; I65-L69 PolarHBondContact O-N 3.32Å; I65-L69 VanDerWaalsContact O-N 3.15Å; F66-L69 PolarHBondContact O-N 3.2Å; L67-L69 VanDerWaalsContact C-N 3.31Å; L67-L69 PolarHBondContact O-N 2.99Å; L69-F72 PolarHBondContact O-N 3.11Å; L69-F73 HydrophobicContact CD1-CE2 4.14Å; L69-F73 HydrophobicContact CD2-CD2 4.46Å; L69-F73 HydrophobicContact CD2-CE2 4.37Å; L69-F73 HydrophobicContact CG-CD2 4.08Å; L69-F73 HydrophobicContact CG-CE2 3.95Å; L69-F73 WeakPolarHBondContact O-CD2 3.34Å; L69-F73 PolarHBondContact O-N 3.39Å; L69-L80 HydrophobicContact CD2-CD2 3.98Å; L69-F101 HydrophobicContact CB-CE2 4.08Å; L69-F101 HydrophobicContact CD1-CE2 4.42Å; L69-F101 HydrophobicContact CD1-CZ 4.25Å; L69-F101 HydrophobicContact CD2-CE2 4.17Å; L69-F101 HydrophobicContact CD2-CZ 3.99Å; L69-F101 HydrophobicContact CG-CE2 4.45Å
70K96.8Very high95.9Very high59 Ų5952.4 Ų52.426%0.25726%0.255SS..Hα-helixtrans-59.7-48.8-178.5-178.2-174.4167.8-166.70111F66 L67 F72 F73 E74 L80F66-K70 HydrophobicContact CE1-CB 4.49Å; F66-K70 HydrophobicContact CE1-CD 4.08Å; F66-K70 HydrophobicContact CZ-CB 4.45Å; F66-K70 HydrophobicContact CZ-CD 4.25Å; F66-K70 VanDerWaalsContact O-CB 3.28Å; F66-K70 WeakPolarHBondContact O-CB 3.27Å; F66-K70 PolarHBondContact O-N 2.88Å; L67-K70 PolarHBondContact O-N 3.41Å; L67-K70 VanDerWaalsContact O-N 3.17Å; K70-F72 VanDerWaalsContact C-N 3.31Å; K70-F72 PolarHBondContact O-N 3.11Å; K70-F73 PolarHBondContact O-N 3.33Å; K70-F73 VanDerWaalsContact O-N 3.11Å; K70-E74 WeakPolarHBondContact CE-OE1 3.47Å; K70-E74 HydrophobicContact CG-CG 4.42Å; K70-E74 IonicContact NZ-OE1 3.53Å; K70-E74 WeakPolarHBondContact O-CG 3.48Å; K70-E74 PolarHBondContact O-N 2.84Å; K70-L80 HydrophobicContact CG-CD1 4.42Å
71D96.6Very high96.2Very high87 Ų8753.5 Ų53.547%0.46527%0.265SS..Hα-helixtrans-60.7-41.2-179.9-67.5-9.5000111L67 E74 E75L67-D71 WeakPolarHBondContact O-CB 3.38Å; L67-D71 PolarHBondContact O-N 3.21Å; D71-E74 PolarHBondContact O-N 3.23Å; D71-E75 VanDerWaalsContact O-CB 3.24Å; D71-E75 WeakPolarHBondContact O-CB 3.19Å; D71-E75 PolarHBondContact O-N 3.46Å
72F96.9Very high96.4Very high5 Ų547.7 Ų47.72%0.02225%0.245CC..Hα-helixtrans-62.8-43.8174.7-178.7-89.4000111.9L51 F52 V68 L69 K70 E75 K76 I78L51-F72 HydrophobicContact CD1-CE1 3.85Å; L51-F72 HydrophobicContact CD1-CZ 4.19Å; L51-F72 HydrophobicContact CD2-CD1 4.27Å; L51-F72 HydrophobicContact CD2-CE1 3.83Å; L51-F72 HydrophobicContact CG-CE1 3.67Å; L51-F72 HydrophobicContact CG-CZ 4.09Å; F52-F72 HydrophobicContact CB-CD2 4.48Å; F52-F72 HydrophobicContact CB-CE2 4.08Å; F52-F72 HydrophobicContact CB-CZ 4.38Å; F52-F72 HydrophobicContact CD1-CB 4.31Å; F52-F72 AromaticContact CD1-CD1 3.61Å; F52-F72 HydrophobicContact CD1-CD1 3.61Å; F52-F72 AromaticContact CD1-CD2 3.75Å; F52-F72 HydrophobicContact CD1-CD2 3.75Å; F52-F72 AromaticContact CD1-CE1 3.76Å; F52-F72 HydrophobicContact CD1-CE1 3.76Å; F52-F72 AromaticContact CD1-CE2 3.87Å; F52-F72 HydrophobicContact CD1-CE2 3.87Å; F52-F72 AromaticContact CD1-CG 3.59Å; F52-F72 HydrophobicContact CD1-CG 3.59Å; F52-F72 AromaticContact CD1-CZ 3.87Å; F52-F72 HydrophobicContact CD1-CZ 3.87Å; F52-F72 HydrophobicContact CE1-CB 4.02Å; F52-F72 AromaticContact CE1-CD1 3.74Å; F52-F72 HydrophobicContact CE1-CD1 3.74Å; F52-F72 HydrophobicContact CE1-CD2 4.32Å; F52-F72 HydrophobicContact CE1-CE1 4.29Å; F52-F72 AromaticContact CE1-CG 3.75Å; F52-F72 HydrophobicContact CE1-CG 3.75Å; F52-F72 HydrophobicContact CG-CD2 4.32Å; F52-F72 HydrophobicContact CG-CE2 4.34Å; V68-F72 PolarHBondContact O-N 3.48Å; L69-F72 PolarHBondContact O-N 3.11Å; K70-F72 VanDerWaalsContact C-N 3.31Å; K70-F72 PolarHBondContact O-N 3.11Å; F72-E75 PolarHBondContact O-N 3.37Å; F72-K76 HydrophobicContact CD1-CG 4.28Å; F72-K76 HydrophobicContact CD2-CG 4.47Å; F72-K76 HydrophobicContact CE1-CG 3.9Å; F72-K76 HydrophobicContact CE2-CG 4.14Å; F72-K76 HydrophobicContact CZ-CG 3.85Å; F72-K76 WeakPolarHBondContact O-CB 3.29Å; F72-K76 WeakPolarHBondContact O-CG 3.23Å; F72-K76 PolarHBondContact O-N 3.01Å; F72-I78 HydrophobicContact CE1-CD1 4.48Å
73F97.6Very high96.6Very high2 Ų247.7 Ų47.71%0.00924%0.244CC..Hα-helixtrans-68.2-37.7-180-86.1-124.6000111.9F18 L20 L51 L69 K70 E77 I78 L80 I83F18-F73 HydrophobicContact CE2-CE1 4.07Å; F18-F73 AromaticContact CE2-CZ 3.91Å; F18-F73 HydrophobicContact CE2-CZ 3.91Å; F18-F73 AromaticContact CZ-CE1 3.61Å; F18-F73 HydrophobicContact CZ-CE1 3.61Å; F18-F73 AromaticContact CZ-CZ 3.87Å; F18-F73 HydrophobicContact CZ-CZ 3.87Å; L20-F73 HydrophobicContact CD1-CZ 4.19Å; L20-F73 HydrophobicContact CD2-CZ 4.36Å; L51-F73 HydrophobicContact CD2-CE2 3.75Å; L51-F73 HydrophobicContact CD2-CZ 4.15Å; L69-F73 HydrophobicContact CD1-CE2 4.14Å; L69-F73 HydrophobicContact CD2-CD2 4.46Å; L69-F73 HydrophobicContact CD2-CE2 4.37Å; L69-F73 HydrophobicContact CG-CD2 4.08Å; L69-F73 HydrophobicContact CG-CE2 3.95Å; L69-F73 WeakPolarHBondContact O-CD2 3.34Å; L69-F73 PolarHBondContact O-N 3.39Å; K70-F73 PolarHBondContact O-N 3.33Å; K70-F73 VanDerWaalsContact O-N 3.11Å; F73-E77 CarbonylContact O-C 3.58Å; F73-E77 WeakPolarHBondContact O-CA 3.27Å; F73-E77 PolarHBondContact O-N 2.91Å; F73-I78 HydrophobicContact CD1-CB 3.86Å; F73-I78 HydrophobicContact CD1-CG2 3.72Å; F73-I78 HydrophobicContact CE1-CB 4.39Å; F73-I78 HydrophobicContact CE1-CG2 3.81Å; F73-I78 HydrophobicContact CG-CB 4.28Å; F73-I78 PolarHBondContact O-N 3.02Å; F73-L80 HydrophobicContact CB-CD2 3.99Å; F73-L80 HydrophobicContact CB-CG 4.34Å; F73-L80 HydrophobicContact CD1-CD2 3.44Å; F73-L80 VanDerWaalsContact CD1-CD2 3.44Å; F73-L80 HydrophobicContact CD1-CG 4.11Å; F73-L80 HydrophobicContact CE1-CD2 3.98Å; F73-L80 HydrophobicContact CG-CD2 3.77Å; F73-I83 HydrophobicContact CD1-CD1 4.42Å; F73-I83 HydrophobicContact CE1-CD1 3.66Å; F73-I83 HydrophobicContact CE1-CG1 3.84Å; F73-I83 HydrophobicContact CZ-CD1 4.07Å; F73-I83 HydrophobicContact CZ-CG1 4.34Å
74E97.5Very high96.8Very high115 Ų11546.1 Ų46.154%0.53724%0.241SC..Hα-helixtrans-66.6-45.7173.8-73.2-177.6168.500111.4K70 D71 K76 E77K70-E74 WeakPolarHBondContact CE-OE1 3.47Å; K70-E74 HydrophobicContact CG-CG 4.42Å; K70-E74 IonicContact NZ-OE1 3.53Å; K70-E74 WeakPolarHBondContact O-CG 3.48Å; K70-E74 PolarHBondContact O-N 2.84Å; D71-E74 PolarHBondContact O-N 3.23Å; E74-K76 VanDerWaalsContact C-N 3.31Å; E74-K76 PolarHBondContact O-N 2.84Å; E74-E77 PolarHBondContact O-N 2.87Å; E74-E77 VanDerWaalsContact O-N 3.12Å
75E97.1Very high97Very high123 Ų12346.5 Ų46.558%0.57525%0.245SC*.Hα-helixtrans-57.8-42.3176.5-174.5-160.3140.700112K54 D71 F72 E77K54-E75 IonicContact NZ-OE2 2.78Å; D71-E75 VanDerWaalsContact O-CB 3.24Å; D71-E75 WeakPolarHBondContact O-CB 3.19Å; D71-E75 PolarHBondContact O-N 3.46Å; F72-E75 PolarHBondContact O-N 3.37Å; E75-E77 VanDerWaalsContact C-N 3.32Å
76K96.5Very high97Very high50 Ų5046.5 Ų46.522%0.21725%0.245CC..THydrogen-bonded Turntrans-89.53.3-179.9-58.4-60.4179.2176.10113.4E6 C10 K14 F72 E74 I78E6-K76 WeakPolarHBondContact OE1-CE 3Å; E6-K76 IonicContact OE1-NZ 3.96Å; E6-K76 PolarHBondContact OE1-NZ 3.46Å; C10-K76 HydrophobicContact CB-CB 4.36Å; K14-K76 WeakPolarHBondContact CE-O 3.35Å; K14-K76 PolarHBondContact NZ-O 3.12Å; F72-K76 HydrophobicContact CD1-CG 4.28Å; F72-K76 HydrophobicContact CD2-CG 4.47Å; F72-K76 HydrophobicContact CE1-CG 3.9Å; F72-K76 HydrophobicContact CE2-CG 4.14Å; F72-K76 HydrophobicContact CZ-CG 3.85Å; F72-K76 WeakPolarHBondContact O-CB 3.29Å; F72-K76 WeakPolarHBondContact O-CG 3.23Å; F72-K76 PolarHBondContact O-N 3.01Å; E74-K76 VanDerWaalsContact C-N 3.31Å; E74-K76 PolarHBondContact O-N 2.84Å; K76-I78 HydrophobicContact CB-CD1 3.88Å; K76-I78 HydrophobicContact CB-CG1 3.92Å; K76-I78 PolarHBondContact O-N 3.1Å
77E97.6Very high97.1Very high141 Ų14146.6 Ų46.666%0.65925%0.249SC*.THydrogen-bonded Turntrans52.934.4-177.5-49.6174119.900113.7K14 F73 E74 E75 P79K14-E77 IonicContact NZ-OE2 3.19Å; K14-E77 PolarHBondContact NZ-OE2 3.32Å; K14-E77 VanDerWaalsContact NZ-OE2 3.12Å; F73-E77 CarbonylContact O-C 3.58Å; F73-E77 WeakPolarHBondContact O-CA 3.27Å; F73-E77 PolarHBondContact O-N 2.91Å; E74-E77 PolarHBondContact O-N 2.87Å; E74-E77 VanDerWaalsContact O-N 3.12Å; E75-E77 VanDerWaalsContact C-N 3.32Å; E77-P79 WeakPolarHBondContact O-CD 3.48Å
78I98.1Very high97Very high5 Ų542.9 Ų42.93%0.02623%0.23CC..  trans-88.1118.9177.6-58.3171.2000108.4C10 L13 K14 F18 F72 F73 K76 L80C10-I78 HydrophobicContact CB-CD1 4.06Å; L13-I78 HydrophobicContact CB-CD1 4.24Å; L13-I78 HydrophobicContact CB-CG2 4.17Å; L13-I78 HydrophobicContact CD1-CD1 4.32Å; K14-I78 HydrophobicContact CG-CG1 4.21Å; F18-I78 HydrophobicContact CE1-CG2 4.07Å; F18-I78 HydrophobicContact CZ-CG2 3.96Å; F72-I78 HydrophobicContact CE1-CD1 4.48Å; F73-I78 HydrophobicContact CD1-CB 3.86Å; F73-I78 HydrophobicContact CD1-CG2 3.72Å; F73-I78 HydrophobicContact CE1-CB 4.39Å; F73-I78 HydrophobicContact CE1-CG2 3.81Å; F73-I78 HydrophobicContact CG-CB 4.28Å; F73-I78 PolarHBondContact O-N 3.02Å; K76-I78 HydrophobicContact CB-CD1 3.88Å; K76-I78 HydrophobicContact CB-CG1 3.92Å; K76-I78 PolarHBondContact O-N 3.1Å; I78-L80 PolarHBondContact O-N 3.23Å
79P97.6Very high96.8Very high53 Ų5343.1 Ų43.134%0.34423%0.23SC..  trans-63.2122.5177.2-21.733.6000111.1E77 S81 N82E77-P79 WeakPolarHBondContact O-CD 3.48Å; P79-S81 WeakPolarHBondContact CB-OG 3.24Å; P79-S81 PolarHBondContact O-N 3.15Å; P79-S81 VanDerWaalsContact O-N 3.12Å; P79-N82 WeakPolarHBondContact O-CB 3.49Å; P79-N82 PolarHBondContact O-N 2.88Å
80L97.2Very high96.5Very high21 Ų2144.1 Ų44.111%0.1124%0.24CC..G310 helixtrans-58-26.7174.7-73.1168.5000112.3L69 K70 F73 I78 N82 I83 I108 V109L69-L80 HydrophobicContact CD2-CD2 3.98Å; K70-L80 HydrophobicContact CG-CD1 4.42Å; F73-L80 HydrophobicContact CB-CD2 3.99Å; F73-L80 HydrophobicContact CB-CG 4.34Å; F73-L80 HydrophobicContact CD1-CD2 3.44Å; F73-L80 VanDerWaalsContact CD1-CD2 3.44Å; F73-L80 HydrophobicContact CD1-CG 4.11Å; F73-L80 HydrophobicContact CE1-CD2 3.98Å; F73-L80 HydrophobicContact CG-CD2 3.77Å; I78-L80 PolarHBondContact O-N 3.23Å; L80-N82 PolarHBondContact O-N 3.43Å; L80-N82 VanDerWaalsContact O-N 3.14Å; L80-I83 HydrophobicContact CD2-CD1 3.69Å; L80-I83 WeakPolarHBondContact O-CB 3.28Å; L80-I83 WeakPolarHBondContact O-CG1 3.21Å; L80-I83 PolarHBondContact O-N 2.73Å; L80-I83 VanDerWaalsContact O-N 3.07Å; L80-I108 HydrophobicContact CB-CG2 4.13Å; L80-I108 HydrophobicContact CD1-CD1 3.81Å; L80-I108 HydrophobicContact CD1-CG2 4.05Å; L80-V109 HydrophobicContact CB-CG2 4.32Å; L80-V109 WeakPolarHBondContact O-CG2 3.36Å
81S96.5Very high96.2Very high80 Ų8042.7 Ų42.756%0.55924%0.239SC*.G310 helixtrans-61.1-15.8174.254.90000114.4P79 I83P79-S81 WeakPolarHBondContact CB-OG 3.24Å; P79-S81 PolarHBondContact O-N 3.15Å; P79-S81 VanDerWaalsContact O-N 3.12Å; S81-I83 VanDerWaalsContact C-N 3.27Å
82N97.4Very high96Very high26 Ų2643.8 Ų43.814%0.13925%0.251CS..G310 helixtrans-79-12.8176.3-68.5-2000112.5L13 K14 Q17 F18 P79 L80 T84L13-N82 PolarHBondContact O-ND2 3.38Å; K14-N82 VanDerWaalsContact C-ND2 3.34Å; K14-N82 PolarHBondContact O-ND2 2.84Å; Q17-N82 WeakPolarHBondContact CA-O 3.44Å; F18-N82 HydrophobicContact CD1-CB 4.15Å; F18-N82 HydrophobicContact CE1-CB 3.7Å; F18-N82 PolarHBondContact N-O 2.99Å; P79-N82 WeakPolarHBondContact O-CB 3.49Å; P79-N82 PolarHBondContact O-N 2.88Å; L80-N82 PolarHBondContact O-N 3.43Å; L80-N82 VanDerWaalsContact O-N 3.14Å; N82-T84 PolarHBondContact O-N 2.88Å
83I97.9Very high95.9Very high2 Ų244.9 Ų44.91%0.0126%0.261CS..EExtended strand (participates in β ladder)trans-77120.1175.4-48.5164.5000108.5F18 L20 F73 L80 S81 L105 I112F18-I83 HydrophobicContact CE2-CG1 3.85Å; F18-I83 HydrophobicContact CZ-CG1 3.97Å; F18-I83 WeakPolarHBondContact O-CA 3.44Å; L20-I83 HydrophobicContact CB-CG2 4.48Å; L20-I83 HydrophobicContact CD1-CD1 3.6Å; L20-I83 HydrophobicContact CD1-CG1 4Å; L20-I83 HydrophobicContact CD1-CG2 3.82Å; L20-I83 HydrophobicContact CG-CG2 4.07Å; F73-I83 HydrophobicContact CD1-CD1 4.42Å; F73-I83 HydrophobicContact CE1-CD1 3.66Å; F73-I83 HydrophobicContact CE1-CG1 3.84Å; F73-I83 HydrophobicContact CZ-CD1 4.07Å; F73-I83 HydrophobicContact CZ-CG1 4.34Å; L80-I83 HydrophobicContact CD2-CD1 3.69Å; L80-I83 WeakPolarHBondContact O-CB 3.28Å; L80-I83 WeakPolarHBondContact O-CG1 3.21Å; L80-I83 PolarHBondContact O-N 2.73Å; L80-I83 VanDerWaalsContact O-N 3.07Å; S81-I83 VanDerWaalsContact C-N 3.27Å; I83-L105 HydrophobicContact CD1-CD1 4.26Å; I83-I112 HydrophobicContact CB-CD1 3.96Å; I83-I112 HydrophobicContact CG2-CD1 3.48Å; I83-I112 VanDerWaalsContact CG2-CD1 3.48Å; I83-I112 WeakPolarHBondContact O-CD1 3.44Å
84T97.4Very high95.8Very high56 Ų5645.2 Ų45.234%0.34426%0.263SS..EExtended strand (participates in β ladder)trans-98.3-33.3-179.255.30000112.9Q17 F18 N82 I112 V113Q17-T84 HydrophobicContact CB-CG2 3.77Å; Q17-T84 HydrophobicContact CG-CG2 4Å; F18-T84 PolarHBondContact O-N 3.36Å; F18-T84 PolarHBondContact O-OG1 2.86Å; N82-T84 PolarHBondContact O-N 2.88Å; T84-I112 VanDerWaalsContact C-CD1 3.45Å; T84-V113 PolarHBondContact O-N 3Å
85A97.7Very high95.6Very high23 Ų2342.5 Ų42.519%0.1925%0.254CS..EExtended strand (participates in β ladder)trans-148155.6178.300000111.6S19 L20 V113S19-A85 CarbonylContact C-O 3.52Å; S19-A85 VanDerWaalsContact CA-O 3.29Å; S19-A85 WeakPolarHBondContact CA-O 3.49Å; L20-A85 PolarHBondContact N-O 2.87Å; A85-V113 CarbonylContact C-O 3.45Å; A85-V113 WeakPolarHBondContact CA-O 3.4Å; A85-V113 HydrophobicContact CB-CB 4.06Å; A85-V113 WeakPolarHBondContact CB-O 3.29Å
86V97.1Very high95.5Very high0 Ų037.7 Ų37.70%024%0.238CC..EExtended strand (participates in β ladder)trans-131.8130171.966.70000110.9L20 L22 T88 F101 I102 L105 I112 V113 A114 V115L20-V86 HydrophobicContact CB-CB 4.43Å; L20-V86 HydrophobicContact CB-CG2 4.01Å; L20-V86 CarbonylContact O-C 3.55Å; L20-V86 WeakPolarHBondContact O-CA 3.45Å; L22-V86 HydrophobicContact CD1-CG2 3.63Å; L22-V86 HydrophobicContact CG-CG2 3.93Å; V86-T88 HydrophobicContact CG2-CG2 3.97Å; V86-F101 HydrophobicContact CG2-CE1 4.1Å; V86-I102 HydrophobicContact CG1-CG1 4.13Å; V86-L105 HydrophobicContact CB-CD2 4.47Å; V86-L105 HydrophobicContact CG1-CD2 4.26Å; V86-I112 HydrophobicContact CG1-CG1 4.3Å; V86-V113 PolarHBondContact N-O 2.88Å; V86-A114 HydrophobicContact CG1-CB 4.13Å; V86-A114 WeakPolarHBondContact O-CA 3.4Å; V86-V115 PolarHBondContact O-N 3.13Å
87A96.3Very high95.2Very high19 Ų1946.7 Ų46.716%0.15727%0.271CS..EExtended strand (participates in β ladder)trans-104.5127.6172.700000110.2L20 Q21 L22 V115L20-A87 PolarHBondContact O-N 3.17Å; Q21-A87 WeakPolarHBondContact CA-O 3.32Å; Q21-A87 HydrophobicContact CB-CB 4.28Å; Q21-A87 HydrophobicContact CG-CB 4.11Å; L22-A87 PolarHBondContact N-O 3.26Å; A87-V115 VanDerWaalsContact CA-O 3.3Å; A87-V115 WeakPolarHBondContact CA-O 3.4Å; A87-V115 HydrophobicContact CB-CG2 3.66Å
88T94.8Very high94.8Very high1 Ų147.5 Ų47.51%0.00627%0.274CS..EExtended strand (participates in β ladder)trans-134.6161.4178.474.20000110.8L22 V86 G90 M94 I102 V115 N116 C117L22-T88 HydrophobicContact CB-CG2 4.36Å; V86-T88 HydrophobicContact CG2-CG2 3.97Å; T88-G90 PolarHBondContact O-N 2.98Å; T88-G90 VanDerWaalsContact O-N 3.11Å; T88-G90 PolarHBondContact OG1-N 2.92Å; T88-M94 HydrophobicContact CG2-CB 4.14Å; T88-M94 HydrophobicContact CG2-CE 3.76Å; T88-M94 HydrophobicContact CG2-CG 4.47Å; T88-I102 HydrophobicContact CG2-CD1 4.17Å; T88-I102 HydrophobicContact CG2-CG1 4.47Å; T88-V115 PolarHBondContact N-O 3.03Å; T88-V115 VanDerWaalsContact N-O 3.09Å; T88-N116 CarbonylContact O-C 3.48Å; T88-N116 WeakPolarHBondContact O-CA 3.11Å; T88-C117 WeakPolarHBondContact O-CB 3.39Å; T88-C117 PolarHBondContact O-N 2.82Å
89D90.5Very high94.5Very high38 Ų3856.7 Ų56.720%0.20331%0.308CS..  trans-64.2-12.6178.177.1-26.5000114A91 H120D89-A91 VanDerWaalsContact OD1-CB 3.25Å; D89-A91 WeakPolarHBondContact OD1-CB 3.43Å; D89-A91 PolarHBondContact OD1-N 3.39Å; D89-H120 PolarHBondContact O-CD2 2.84Å; D89-H120 VanDerWaalsContact O-CG 3.27Å
90G90.4Very high94.3Very high21 Ų2154.2 Ų54.222%0.21629%0.293CS..  trans88.28.1-178.900000114T88 T95T88-G90 PolarHBondContact O-N 2.98Å; T88-G90 VanDerWaalsContact O-N 3.11Å; T88-G90 PolarHBondContact OG1-N 2.92Å; G90-T95 PolarHBondContact O-OG1 2.97Å
91A91.6Very high94.3Very high28 Ų2853.2 Ų53.223%0.23129%0.287CS..  trans-56.1151.8176.400000111.7D89 A93 M94 T95D89-A91 VanDerWaalsContact OD1-CB 3.25Å; D89-A91 WeakPolarHBondContact OD1-CB 3.43Å; D89-A91 PolarHBondContact OD1-N 3.39Å; A91-A93 PolarHBondContact O-N 3.48Å; A91-M94 HydrophobicContact CB-CG 4.38Å; A91-M94 WeakPolarHBondContact O-CA 3.5Å; A91-M94 PolarHBondContact O-N 3.4Å; A91-T95 PolarHBondContact O-N 2.93Å; A91-T95 PolarHBondContact O-OG1 2.74Å; A91-T95 VanDerWaalsContact O-OG1 3.04Å
92P93.3Very high94.3Very high111 Ų11150.2 Ų50.272%0.72127%0.265SS*.Hα-helixtrans-56.8-32.5177.4-27.235.6000113.8M94 G96P92-M94 VanDerWaalsContact C-N 3.26Å; P92-M94 PolarHBondContact O-N 3.26Å; P92-G96 VanDerWaalsContact O-CA 3.29Å; P92-G96 WeakPolarHBondContact O-CA 3.45Å; P92-G96 PolarHBondContact O-N 3.1Å
93A93.9Very high94.2Very high28 Ų2849.9 Ų49.923%0.23127%0.266CS..Hα-helixtrans-62.2-34173.100000112.2T60 G62 I65 A91 G100 F101T60-A93 WeakPolarHBondContact O-CB 3.4Å; G62-A93 WeakPolarHBondContact CA-O 3.34Å; I65-A93 HydrophobicContact CD1-CB 4.49Å; A91-A93 PolarHBondContact O-N 3.48Å; A93-G100 CarbonylContact O-C 3.52Å; A93-G100 WeakPolarHBondContact O-CA 3.42Å; A93-F101 PolarHBondContact O-N 3.4Å
94M95.1Very high94.2Very high8 Ų851.3 Ų51.34%0.03927%0.273CS..Hα-helixtrans-84.8-44.8-179.9-58.4-56.2-99.600112.2L22 F34 I65 T88 A91 P92 F101 I102L22-M94 HydrophobicContact CB-CE 3.61Å; L22-M94 HydrophobicContact CD1-CE 4.04Å; F34-M94 HydrophobicContact CE2-CE 4.35Å; I65-M94 HydrophobicContact CD1-SD 3.87Å; I65-M94 HydrophobicContact CG2-CE 4.44Å; I65-M94 HydrophobicContact CG2-SD 4.24Å; T88-M94 HydrophobicContact CG2-CB 4.14Å; T88-M94 HydrophobicContact CG2-CE 3.76Å; T88-M94 HydrophobicContact CG2-CG 4.47Å; A91-M94 HydrophobicContact CB-CG 4.38Å; A91-M94 WeakPolarHBondContact O-CA 3.5Å; A91-M94 PolarHBondContact O-N 3.4Å; P92-M94 VanDerWaalsContact C-N 3.26Å; P92-M94 PolarHBondContact O-N 3.26Å; M94-F101 PolarHBondContact O-N 2.8Å; M94-F101 HydrophobicContact SD-CB 3.97Å; M94-F101 HydrophobicContact SD-CG 4.41Å; M94-I102 WeakPolarHBondContact O-CB 3.24Å; M94-I102 WeakPolarHBondContact O-CG1 3.42Å; M94-I102 PolarHBondContact O-N 3.33Å
95T94.6Very high94.1Very high58 Ų5848.7 Ų48.736%0.35626%0.256SS..Hα-helixtrans-102.8-2.8-168.759.60000114.9G90 A91 R97 I102G90-T95 PolarHBondContact O-OG1 2.97Å; A91-T95 PolarHBondContact O-N 2.93Å; A91-T95 PolarHBondContact O-OG1 2.74Å; A91-T95 VanDerWaalsContact O-OG1 3.04Å; T95-R97 PolarHBondContact O-N 3.02Å; T95-I102 HydrophobicContact CG2-CD1 3.88Å
96G93.5Very high94.1Very high23 Ų2352.1 Ų52.124%0.23727%0.267CS..  trans-52.4130.3-178.400000112.9P92 Q98 G100 A103P92-G96 VanDerWaalsContact O-CA 3.29Å; P92-G96 WeakPolarHBondContact O-CA 3.45Å; P92-G96 PolarHBondContact O-N 3.1Å; G96-Q98 VanDerWaalsContact C-N 3.3Å; G96-Q98 PolarHBondContact O-N 3.02Å; G96-G100 VanDerWaalsContact O-CA 3.23Å; G96-G100 WeakPolarHBondContact O-CA 3.31Å; G96-G100 PolarHBondContact O-N 3.05Å; G96-A103 WeakPolarHBondContact O-CB 3.27Å
97R91Very high94Very high239 Ų23958.8 Ų58.890%0.90230%0.298SS*.THydrogen-bonded Turntrans-59-34-170.3-174.4177-179.4-179.61.4114.9T95 A103T95-R97 PolarHBondContact O-N 3.02Å; R97-A103 WeakPolarHBondContact O-CB 3.13Å
98Q88.4Confident94Very high157 Ų15761.8 Ų61.873%0.73431%0.311SS*.THydrogen-bonded Turntrans-113.6-40-176.5-69-178.4-7.200113.1G96G96-Q98 VanDerWaalsContact C-N 3.3Å; G96-Q98 PolarHBondContact O-N 3.02Å
99R91.6Very high94.1Very high198 Ų19862.5 Ų62.575%0.74732%0.315SS*.THydrogen-bonded Turntrans-115.97-174.3-62-175-178.8169.2-1.4113.6
100G94.5Very high94.4Very high1 Ų165.1 Ų65.11%0.0133%0.334CS..SBendtrans-77.3154.2177.100000111.4A93 G96 I102 A103 Q104A93-G100 CarbonylContact O-C 3.52Å; A93-G100 WeakPolarHBondContact O-CA 3.42Å; G96-G100 VanDerWaalsContact O-CA 3.23Å; G96-G100 WeakPolarHBondContact O-CA 3.31Å; G96-G100 PolarHBondContact O-N 3.05Å; G100-I102 VanDerWaalsContact C-N 3.27Å; G100-I102 PolarHBondContact O-N 3.17Å; G100-A103 WeakPolarHBondContact O-CB 3.21Å; G100-A103 PolarHBondContact O-N 3.15Å; G100-Q104 PolarHBondContact O-N 3.36Å; G100-Q104 VanDerWaalsContact O-N 3.13Å
101F96.3Very high94.6Very high0 Ų071.2 Ų71.20%036%0.362CS..Hα-helixtrans-48.6-49175.3171.1-89.1000112L22 I65 F66 L69 V86 A93 M94 A103 Q104 L105L22-F101 HydrophobicContact CD1-CD1 3.98Å; L22-F101 HydrophobicContact CD1-CE1 3.32Å; L22-F101 HydrophobicContact CD1-CE2 3.94Å; L22-F101 HydrophobicContact CD1-CZ 3.29Å; I65-F101 HydrophobicContact CB-CD2 4.33Å; I65-F101 HydrophobicContact CG2-CD2 3.73Å; I65-F101 HydrophobicContact CG2-CE2 4.3Å; I65-F101 HydrophobicContact CG2-CG 4.42Å; F66-F101 HydrophobicContact CB-CD2 3.78Å; F66-F101 HydrophobicContact CB-CE2 4.2Å; F66-F101 HydrophobicContact CD2-CD2 4.4Å; F66-F101 HydrophobicContact CD2-CE2 4.19Å; L69-F101 HydrophobicContact CB-CE2 4.08Å; L69-F101 HydrophobicContact CD1-CE2 4.42Å; L69-F101 HydrophobicContact CD1-CZ 4.25Å; L69-F101 HydrophobicContact CD2-CE2 4.17Å; L69-F101 HydrophobicContact CD2-CZ 3.99Å; L69-F101 HydrophobicContact CG-CE2 4.45Å; V86-F101 HydrophobicContact CG2-CE1 4.1Å; A93-F101 PolarHBondContact O-N 3.4Å; M94-F101 PolarHBondContact O-N 2.8Å; M94-F101 HydrophobicContact SD-CB 3.97Å; M94-F101 HydrophobicContact SD-CG 4.41Å; F101-A103 VanDerWaalsContact C-N 3.28Å; F101-A103 PolarHBondContact O-N 3.38Å; F101-Q104 PolarHBondContact O-N 3.27Å; F101-Q104 VanDerWaalsContact O-N 3.16Å; F101-L105 HydrophobicContact CE1-CB 4.34Å; F101-L105 HydrophobicContact CE1-CD2 3.84Å; F101-L105 HydrophobicContact CZ-CD2 4.16Å; F101-L105 PolarHBondContact O-N 2.98Å
102I96.6Very high94.8Very high17 Ų1770.2 Ų70.29%0.08735%0.353CS..Hα-helixtrans-63-36.5-178.6-68.6161.5000111.2V86 T88 M94 T95 G100 Q104 L105 K106 A114V86-I102 HydrophobicContact CG1-CG1 4.13Å; T88-I102 HydrophobicContact CG2-CD1 4.17Å; T88-I102 HydrophobicContact CG2-CG1 4.47Å; M94-I102 WeakPolarHBondContact O-CB 3.24Å; M94-I102 WeakPolarHBondContact O-CG1 3.42Å; M94-I102 PolarHBondContact O-N 3.33Å; T95-I102 HydrophobicContact CG2-CD1 3.88Å; G100-I102 VanDerWaalsContact C-N 3.27Å; G100-I102 PolarHBondContact O-N 3.17Å; I102-Q104 VanDerWaalsContact C-N 3.33Å; I102-L105 PolarHBondContact O-N 2.87Å; I102-K106 HydrophobicContact CG2-CD 4.15Å; I102-K106 HydrophobicContact CG2-CG 4.44Å; I102-K106 WeakPolarHBondContact O-CB 3.44Å; I102-K106 WeakPolarHBondContact O-CG 3.4Å; I102-K106 PolarHBondContact O-N 3.02Å; I102-A114 HydrophobicContact CD1-CB 3.83Å; I102-A114 HydrophobicContact CG1-CB 4.19Å; I102-A114 HydrophobicContact CG2-CB 3.71Å
103A96.4Very high95Very high20 Ų2068.9 Ų68.917%0.16534%0.342CS..Hα-helixtrans-67.4-35.7178.200000111.9G96 R97 G100 F101G96-A103 WeakPolarHBondContact O-CB 3.27Å; R97-A103 WeakPolarHBondContact O-CB 3.13Å; G100-A103 WeakPolarHBondContact O-CB 3.21Å; G100-A103 PolarHBondContact O-N 3.15Å; F101-A103 VanDerWaalsContact C-N 3.28Å; F101-A103 PolarHBondContact O-N 3.38Å
104Q96.6Very high95.1Very high32 Ų3269.5 Ų69.515%0.1535%0.347CS..Hα-helixtrans-69.8-47.2173.3-61.8-67.27.900111.3F66 G100 F101 I102 K106 Q107F66-Q104 HydrophobicContact CB-CB 4.05Å; F66-Q104 HydrophobicContact CB-CG 4.42Å; F66-Q104 HydrophobicContact CD1-CB 3.73Å; F66-Q104 HydrophobicContact CD1-CG 4.3Å; F66-Q104 HydrophobicContact CD2-CB 3.84Å; F66-Q104 HydrophobicContact CE1-CB 4.1Å; F66-Q104 HydrophobicContact CE2-CB 4.22Å; F66-Q104 HydrophobicContact CG-CB 3.57Å; F66-Q104 HydrophobicContact CG-CG 4.32Å; F66-Q104 HydrophobicContact CZ-CB 4.32Å; G100-Q104 PolarHBondContact O-N 3.36Å; G100-Q104 VanDerWaalsContact O-N 3.13Å; F101-Q104 PolarHBondContact O-N 3.27Å; F101-Q104 VanDerWaalsContact O-N 3.16Å; I102-Q104 VanDerWaalsContact C-N 3.33Å; Q104-K106 VanDerWaalsContact C-N 3.26Å; Q104-K106 PolarHBondContact O-N 3.47Å; Q104-Q107 WeakPolarHBondContact O-CB 3.47Å; Q104-Q107 PolarHBondContact O-N 3.49Å
105L96.8Very high95.1Very high0 Ų072.3 Ų72.30%037%0.365CS..Hα-helixtrans-59-38.8179-176.860.2000112.1F66 I83 V86 F101 I102 Q107 I108 V109 I112F66-L105 HydrophobicContact CD2-CB 4.47Å; F66-L105 HydrophobicContact CE2-CB 4.36Å; F66-L105 HydrophobicContact CE2-CD1 4.35Å; I83-L105 HydrophobicContact CD1-CD1 4.26Å; V86-L105 HydrophobicContact CB-CD2 4.47Å; V86-L105 HydrophobicContact CG1-CD2 4.26Å; F101-L105 HydrophobicContact CE1-CB 4.34Å; F101-L105 HydrophobicContact CE1-CD2 3.84Å; F101-L105 HydrophobicContact CZ-CD2 4.16Å; F101-L105 PolarHBondContact O-N 2.98Å; I102-L105 PolarHBondContact O-N 2.87Å; L105-Q107 PolarHBondContact O-N 3.2Å; L105-I108 PolarHBondContact O-N 3.48Å; L105-V109 HydrophobicContact CD1-CG2 4.41Å; L105-V109 PolarHBondContact O-N 3.33Å; L105-I112 HydrophobicContact CD2-CD1 4.45Å; L105-I112 HydrophobicContact CD2-CG1 4.05Å
106K96.6Very high95Very high96 Ų9672.5 Ų72.542%0.41736%0.364SS..Hα-helixtrans-62.9-20.6176.1-83.5-177.9175.2-162.30114.8I102 Q104 I108 P110 I112I102-K106 HydrophobicContact CG2-CD 4.15Å; I102-K106 HydrophobicContact CG2-CG 4.44Å; I102-K106 WeakPolarHBondContact O-CB 3.44Å; I102-K106 WeakPolarHBondContact O-CG 3.4Å; I102-K106 PolarHBondContact O-N 3.02Å; Q104-K106 VanDerWaalsContact C-N 3.26Å; Q104-K106 PolarHBondContact O-N 3.47Å; K106-I108 VanDerWaalsContact C-N 3.27Å; K106-P110 VanDerWaalsContact O-CA 3.25Å; K106-P110 WeakPolarHBondContact O-CA 3.25Å; K106-I112 HydrophobicContact CB-CG2 4.5Å; K106-I112 HydrophobicContact CD-CG2 4.39Å; K106-I112 HydrophobicContact CG-CG2 3.42Å; K106-I112 VanDerWaalsContact CG-CG2 3.42Å
107Q96Very high94.9Very high139 Ų13972.6 Ų72.665%0.6536%0.36SS*.Hα-helixtrans-72-27.2174.3-65.1171.437.500111.7Q104 L105Q104-Q107 WeakPolarHBondContact O-CB 3.47Å; Q104-Q107 PolarHBondContact O-N 3.49Å; L105-Q107 PolarHBondContact O-N 3.2Å
108I95.6Very high94.8Very high82 Ų8265.9 Ų65.942%0.42135%0.346SS..Hα-helixtrans-96.6-39.1179.1-55.5-171.1000111.2F66 L80 L105 K106F66-I108 HydrophobicContact CE2-CD1 4.37Å; F66-I108 HydrophobicContact CZ-CD1 3.63Å; F66-I108 HydrophobicContact CZ-CG1 4.39Å; L80-I108 HydrophobicContact CB-CG2 4.13Å; L80-I108 HydrophobicContact CD1-CD1 3.81Å; L80-I108 HydrophobicContact CD1-CG2 4.05Å; L105-I108 PolarHBondContact O-N 3.48Å; K106-I108 VanDerWaalsContact C-N 3.27Å
109V96.6Very high94.8Very high17 Ų1764.2 Ų64.210%0.10334%0.341CS..  trans-124.782-179.8-169.70000108.8L80 L105 D111 I112L80-V109 HydrophobicContact CB-CG2 4.32Å; L80-V109 WeakPolarHBondContact O-CG2 3.36Å; L105-V109 HydrophobicContact CD1-CG2 4.41Å; L105-V109 PolarHBondContact O-N 3.33Å; V109-D111 PolarHBondContact O-N 2.97Å; V109-I112 HydrophobicContact CB-CB 4.22Å; V109-I112 HydrophobicContact CG1-CB 3.99Å; V109-I112 HydrophobicContact CG1-CD1 4.38Å; V109-I112 WeakPolarHBondContact O-CB 3.32Å; V109-I112 WeakPolarHBondContact O-CG2 3.04Å; V109-I112 PolarHBondContact O-N 3.05Å; V109-I112 VanDerWaalsContact O-N 3.16Å
110P96.3Very high94.6Very high92 Ų9257.8 Ų57.860%0.59732%0.319SS*.THydrogen-bonded Turntrans-58.1-35.5-172.4-26.135.3000114.1K106 I112K106-P110 VanDerWaalsContact O-CA 3.25Å; K106-P110 WeakPolarHBondContact O-CA 3.25Å; P110-I112 VanDerWaalsContact C-N 3.28Å; P110-I112 PolarHBondContact O-N 3.44Å
111D95.6Very high94.3Very high150 Ų15065 Ų6580%0.80235%0.345SS*.THydrogen-bonded Turntrans-877.2-175.3-58.6-43.1000113.5V109 V113V109-D111 PolarHBondContact O-N 2.97Å; D111-V113 PolarHBondContact O-N 3.39Å
112I96.4Very high94Very high7 Ų770.8 Ų70.84%0.03637%0.373CS..  trans-59.3128.5-179.6-169.476.1000111.5I83 T84 V86 L105 K106 V109 P110 A114I83-I112 HydrophobicContact CB-CD1 3.96Å; I83-I112 HydrophobicContact CG2-CD1 3.48Å; I83-I112 VanDerWaalsContact CG2-CD1 3.48Å; I83-I112 WeakPolarHBondContact O-CD1 3.44Å; T84-I112 VanDerWaalsContact C-CD1 3.45Å; V86-I112 HydrophobicContact CG1-CG1 4.3Å; L105-I112 HydrophobicContact CD2-CD1 4.45Å; L105-I112 HydrophobicContact CD2-CG1 4.05Å; K106-I112 HydrophobicContact CB-CG2 4.5Å; K106-I112 HydrophobicContact CD-CG2 4.39Å; K106-I112 HydrophobicContact CG-CG2 3.42Å; K106-I112 VanDerWaalsContact CG-CG2 3.42Å; V109-I112 HydrophobicContact CB-CB 4.22Å; V109-I112 HydrophobicContact CG1-CB 3.99Å; V109-I112 HydrophobicContact CG1-CD1 4.38Å; V109-I112 WeakPolarHBondContact O-CB 3.32Å; V109-I112 WeakPolarHBondContact O-CG2 3.04Å; V109-I112 PolarHBondContact O-N 3.05Å; V109-I112 VanDerWaalsContact O-N 3.16Å; P110-I112 VanDerWaalsContact C-N 3.28Å; P110-I112 PolarHBondContact O-N 3.44Å; I112-A114 PolarHBondContact O-N 2.84Å
113V97.2Very high93.6Very high83 Ų8374.6 Ų74.650%0.50339%0.39SS..EExtended strand (participates in β ladder)trans-83.6114174.7-179.20000109.3T84 A85 V86 D111 V115T84-V113 PolarHBondContact O-N 3Å; A85-V113 CarbonylContact C-O 3.45Å; A85-V113 WeakPolarHBondContact CA-O 3.4Å; A85-V113 HydrophobicContact CB-CB 4.06Å; A85-V113 WeakPolarHBondContact CB-O 3.29Å; V86-V113 PolarHBondContact N-O 2.88Å; D111-V113 PolarHBondContact O-N 3.39Å; V113-V115 HydrophobicContact CG1-CG1 4.11Å
114A95.8Very high93.2Very high40 Ų4077.6 Ų77.633%0.33140%0.403SS..EExtended strand (participates in β ladder)trans-98.6127.717500000110.8V86 I102 I112V86-A114 HydrophobicContact CG1-CB 4.13Å; V86-A114 WeakPolarHBondContact O-CA 3.4Å; I102-A114 HydrophobicContact CD1-CB 3.83Å; I102-A114 HydrophobicContact CG1-CB 4.19Å; I102-A114 HydrophobicContact CG2-CB 3.71Å; I112-A114 PolarHBondContact O-N 2.84Å
115V94.8Very high92.8Very high68 Ų6878.9 Ų78.941%0.41242%0.419SS..EExtended strand (participates in β ladder)trans-125.5146.5178.3-61.80000110.9V86 A87 T88 V113V86-V115 PolarHBondContact O-N 3.13Å; A87-V115 VanDerWaalsContact CA-O 3.3Å; A87-V115 WeakPolarHBondContact CA-O 3.4Å; A87-V115 HydrophobicContact CB-CG2 3.66Å; T88-V115 PolarHBondContact N-O 3.03Å; T88-V115 VanDerWaalsContact N-O 3.09Å; V113-V115 HydrophobicContact CG1-CG1 4.11Å
116N92.2Very high92.4Very high62 Ų6280.9 Ų80.933%0.33244%0.436SS..EExtended strand (participates in β ladder)trans-83.5143.1171.1-64.726.7000109.4T88 V118 R121T88-N116 CarbonylContact O-C 3.48Å; T88-N116 WeakPolarHBondContact O-CA 3.11Å; N116-V118 PolarHBondContact O-N 3.33Å; N116-R121 HydrophobicContact CB-CG 4.34Å
117C91.1Very high92Very high25 Ų2582.9 Ų82.917%0.16944%0.444CS..  trans-56.9125.9176.9-178.50000110.6T88 I119 H120 R121T88-C117 WeakPolarHBondContact O-CB 3.39Å; T88-C117 PolarHBondContact O-N 2.82Å; C117-I119 VanDerWaalsContact C-N 3.31Å; C117-I119 PolarHBondContact O-N 2.91Å; C117-H120 HydrophobicContact CB-CB 4.04Å; C117-H120 PolarHBondContact O-N 3.32Å; C117-R121 PolarHBondContact O-N 2.99Å
118V89.5Confident91.6Very high98 Ų9887 Ų8759%0.59445%0.454SS*.Hα-helixtrans-60.4-43.3-179.9176.30000110.5N116 H120 R121 E122N116-V118 PolarHBondContact O-N 3.33Å; V118-H120 VanDerWaalsContact C-N 3.31Å; V118-H120 PolarHBondContact O-N 2.8Å; V118-R121 WeakPolarHBondContact O-CB 3.25Å; V118-R121 PolarHBondContact O-N 3.25Å; V118-R121 VanDerWaalsContact O-N 3.1Å; V118-E122 HydrophobicContact CG1-CG 4.29Å; V118-E122 WeakPolarHBondContact O-CG 3.34Å; V118-E122 PolarHBondContact O-N 3.11Å
119I88.4Confident91.4Very high122 Ų12285.7 Ų85.763%0.62645%0.448SS*.Hα-helixtrans-60.5-42.3179.1-58.9172000110.6C117 E122 H123C117-I119 VanDerWaalsContact C-N 3.31Å; C117-I119 PolarHBondContact O-N 2.91Å; I119-E122 PolarHBondContact O-N 3.31Å; I119-H123 WeakPolarHBondContact O-CB 3.31Å; I119-H123 PolarHBondContact O-N 3.42Å
120H86.8Confident91.2Very high63 Ų6388.1 Ų88.129%0.29247%0.465SS..Hα-helixtrans-66.1-40.2177-164.498.9000111.4D89 C117 V118 H123 L124D89-H120 PolarHBondContact O-CD2 2.84Å; D89-H120 VanDerWaalsContact O-CG 3.27Å; C117-H120 HydrophobicContact CB-CB 4.04Å; C117-H120 PolarHBondContact O-N 3.32Å; V118-H120 VanDerWaalsContact C-N 3.31Å; V118-H120 PolarHBondContact O-N 2.8Å; H120-H123 PolarHBondContact O-N 2.73Å; H120-L124 VanDerWaalsContact O-CG 3.32Å; H120-L124 WeakPolarHBondContact O-CG 3.21Å; H120-L124 PolarHBondContact O-N 2.6Å
121R87.9Confident91Very high151 Ų15190.5 Ų90.557%0.5747%0.473SS*.Hα-helixtrans-62.5-43.5174.5-76.4-172.1168.8170.13.5112.5N116 C117 V118 L124 A125N116-R121 HydrophobicContact CB-CG 4.34Å; C117-R121 PolarHBondContact O-N 2.99Å; V118-R121 WeakPolarHBondContact O-CB 3.25Å; V118-R121 PolarHBondContact O-N 3.25Å; V118-R121 VanDerWaalsContact O-N 3.1Å; R121-L124 PolarHBondContact O-N 3.16Å; R121-A125 WeakPolarHBondContact O-CB 3.27Å; R121-A125 PolarHBondContact O-N 3.39Å
122E89.9Confident90.9Very high123 Ų12393.3 Ų93.358%0.57547%0.472SS*.Hα-helixtrans-63-43.3176.5-73.2176.7173.100111.4V118 I119 L124 A125 A126V118-E122 HydrophobicContact CG1-CG 4.29Å; V118-E122 WeakPolarHBondContact O-CG 3.34Å; V118-E122 PolarHBondContact O-N 3.11Å; I119-E122 PolarHBondContact O-N 3.31Å; E122-L124 VanDerWaalsContact C-N 3.35Å; E122-L124 PolarHBondContact O-N 2.67Å; E122-A125 WeakPolarHBondContact O-CB 3.33Å; E122-A125 PolarHBondContact O-N 2.77Å; E122-A126 WeakPolarHBondContact O-CB 3.47Å; E122-A126 PolarHBondContact O-N 2.88Å
123H88.3Confident90.7Very high97 Ų9797.2 Ų97.245%0.44949%0.493SS..Hα-helixtrans-58.8-44.7173.9178.659.1000112.3I119 H120 A125 A126 K127I119-H123 WeakPolarHBondContact O-CB 3.31Å; I119-H123 PolarHBondContact O-N 3.42Å; H120-H123 PolarHBondContact O-N 2.73Å; H123-A125 VanDerWaalsContact C-N 3.34Å; H123-A125 PolarHBondContact O-N 3.19Å; H123-A126 PolarHBondContact O-N 2.8Å; H123-K127 VanDerWaalsContact NE2-CE 3.33Å; H123-K127 WeakPolarHBondContact NE2-CE 3.49Å; H123-K127 PolarHBondContact NE2-NZ 2.95Å; H123-K127 WeakPolarHBondContact O-CG 3.38Å; H123-K127 PolarHBondContact O-N 3.4Å
124L88.1Confident90.4Very high82 Ų8295.4 Ų95.443%0.42948%0.48SS..Hα-helixtrans-64.3-38.9176.2-70.7178.1000112.3H120 R121 E122 K127 R128H120-L124 VanDerWaalsContact O-CG 3.32Å; H120-L124 WeakPolarHBondContact O-CG 3.21Å; H120-L124 PolarHBondContact O-N 2.6Å; R121-L124 PolarHBondContact O-N 3.16Å; E122-L124 VanDerWaalsContact C-N 3.35Å; E122-L124 PolarHBondContact O-N 2.67Å; L124-K127 PolarHBondContact O-N 2.9Å; L124-R128 PolarHBondContact O-N 3.01Å
125A89.7Confident90.3Very high59 Ų5996.8 Ų96.849%0.48849%0.487SS..Hα-helixtrans-64.6-44.8174.400000111.2R121 E122 H123 K127 R128 L129R121-A125 WeakPolarHBondContact O-CB 3.27Å; R121-A125 PolarHBondContact O-N 3.39Å; E122-A125 WeakPolarHBondContact O-CB 3.33Å; E122-A125 PolarHBondContact O-N 2.77Å; H123-A125 VanDerWaalsContact C-N 3.34Å; H123-A125 PolarHBondContact O-N 3.19Å; A125-K127 VanDerWaalsContact C-N 3.28Å; A125-K127 PolarHBondContact O-N 2.75Å; A125-R128 CarbonylContact O-C 3.54Å; A125-R128 PolarHBondContact O-N 2.87Å; A125-L129 PolarHBondContact O-N 2.9Å
126A88.3Confident90.2Very high43 Ų4396.6 Ų96.636%0.35549%0.489SS..Hα-helixtrans-59.2-38.2177.600000112.3E122 H123 R128 L129E122-A126 WeakPolarHBondContact O-CB 3.47Å; E122-A126 PolarHBondContact O-N 2.88Å; H123-A126 PolarHBondContact O-N 2.8Å; A126-R128 PolarHBondContact O-N 3.37Å; A126-L129 HydrophobicContact CB-CD1 4.34Å; A126-L129 WeakPolarHBondContact O-CD1 3.4Å; A126-L129 VanDerWaalsContact O-CG 3.29Å; A126-L129 WeakPolarHBondContact O-CG 3.46Å; A126-L129 PolarHBondContact O-N 3.32Å
127K86.7Confident90.1Very high137 Ų13797.3 Ų97.360%0.59649%0.492SS*.Hα-helixtrans-63.3-23.6174.5-78.8-178.4173.6177.40114H123 L124 A125H123-K127 VanDerWaalsContact NE2-CE 3.33Å; H123-K127 WeakPolarHBondContact NE2-CE 3.49Å; H123-K127 PolarHBondContact NE2-NZ 2.95Å; H123-K127 WeakPolarHBondContact O-CG 3.38Å; H123-K127 PolarHBondContact O-N 3.4Å; L124-K127 PolarHBondContact O-N 2.9Å; A125-K127 VanDerWaalsContact C-N 3.28Å; A125-K127 PolarHBondContact O-N 2.75Å
128R88.9Confident90.2Very high225 Ų225103.8 Ų103.885%0.84951%0.513SS*.THydrogen-bonded Turntrans-107.516.7-177.4-65.4-172.1176.5-171.10.3113.5L124 A125 A126L124-R128 PolarHBondContact O-N 3.01Å; A125-R128 CarbonylContact O-C 3.54Å; A125-R128 PolarHBondContact O-N 2.87Å; A126-R128 PolarHBondContact O-N 3.37Å
129L89.8Confident90.4Very high56 Ų56105 Ų10529%0.29352%0.516SS..  trans-62.6151.1177-71.9171.4000112.1A125 A126 L133 L137A125-L129 PolarHBondContact O-N 2.9Å; A126-L129 HydrophobicContact CB-CD1 4.34Å; A126-L129 WeakPolarHBondContact O-CD1 3.4Å; A126-L129 VanDerWaalsContact O-CG 3.29Å; A126-L129 WeakPolarHBondContact O-CG 3.46Å; A126-L129 PolarHBondContact O-N 3.32Å; L129-L133 HydrophobicContact CB-CB 4.1Å; L129-L133 HydrophobicContact CD1-CB 4.45Å; L129-L133 HydrophobicContact CD2-CB 4.35Å; L129-L133 HydrophobicContact CD2-CD1 3.99Å; L129-L137 HydrophobicContact CD1-CD1 3.08Å
130S92.9Very high90.7Very high67 Ų67103.3 Ų103.347%0.46951%0.511SS..  trans-57153.3172.568.40000110.9R132 L133 N134S130-R132 PolarHBondContact O-N 3.12Å; S130-R132 VanDerWaalsContact O-N 3.13Å; S130-L133 PolarHBondContact O-N 3.39Å; S130-N134 WeakPolarHBondContact O-CB 3.45Å; S130-N134 PolarHBondContact O-N 3.34Å
131N92.7Very high91Very high142 Ų142104.1 Ų104.176%0.75952%0.517SS*.Hα-helixtrans-50.5-43.6-179.6-70.5-17.1000112.2N134 S135N131-N134 PolarHBondContact O-N 2.95Å; N131-S135 WeakPolarHBondContact O-CB 3.46Å; N131-S135 PolarHBondContact O-N 3.29Å; N131-S135 PolarHBondContact O-OG 3.49Å
132R93Very high91.4Very high210 Ų210101.9 Ų101.979%0.79252%0.516SS*.Hα-helixtrans-59.1-50.3178-177.4-178.8171.9-152.7-2.2112.1S130 S135 S136S130-R132 PolarHBondContact O-N 3.12Å; S130-R132 VanDerWaalsContact O-N 3.13Å; R132-S135 PolarHBondContact O-N 2.86Å; R132-S136 PolarHBondContact O-N 3.24Å; R132-S136 VanDerWaalsContact O-N 3.12Å; R132-S136 PolarHBondContact O-OG 3.36Å
133L92.2Very high91.6Very high89 Ų8998.5 Ų98.547%0.46651%0.509SS..Hα-helixtrans-68.5-37.9-179.6-68.6175.2000111.6L129 S130 S135 S136 L137L129-L133 HydrophobicContact CB-CB 4.1Å; L129-L133 HydrophobicContact CD1-CB 4.45Å; L129-L133 HydrophobicContact CD2-CB 4.35Å; L129-L133 HydrophobicContact CD2-CD1 3.99Å; S130-L133 PolarHBondContact O-N 3.39Å; L133-S135 VanDerWaalsContact C-N 3.34Å; L133-S135 PolarHBondContact O-N 2.75Å; L133-S136 PolarHBondContact O-N 3.03Å; L133-L137 PolarHBondContact O-N 3.39Å
134N91.7Very high91.8Very high45 Ų4597.5 Ų97.524%0.24151%0.506CS..Hα-helixtrans-61.5-42.9175.1-164.2-75.1000111.2S130 N131 L137 R138S130-N134 WeakPolarHBondContact O-CB 3.45Å; S130-N134 PolarHBondContact O-N 3.34Å; N131-N134 PolarHBondContact O-N 2.95Å; N134-L137 PolarHBondContact O-N 3.33Å; N134-R138 WeakPolarHBondContact O-CB 3.36Å; N134-R138 WeakPolarHBondContact O-CG 3.29Å; N134-R138 PolarHBondContact O-N 3.42Å; N134-R138 WeakPolarHBondContact OD1-CD 3.46Å; N134-R138 PolarHBondContact OD1-NE 2.86Å
135S92.8Very high92.1Very high69 Ų6998 Ų9848%0.48351%0.509SS..Hα-helixtrans-60.9-44.6174.7-64.40000112.2N131 R132 L133 R138 L139N131-S135 WeakPolarHBondContact O-CB 3.46Å; N131-S135 PolarHBondContact O-N 3.29Å; N131-S135 PolarHBondContact O-OG 3.49Å; R132-S135 PolarHBondContact O-N 2.86Å; L133-S135 VanDerWaalsContact C-N 3.34Å; L133-S135 PolarHBondContact O-N 2.75Å; S135-R138 PolarHBondContact O-N 3.35Å; S135-L139 WeakPolarHBondContact O-CG 3.26Å; S135-L139 PolarHBondContact O-N 2.95Å
136S92.9Very high92.3Very high63 Ų63102.6 Ų102.644%0.44152%0.518SS..Hα-helixtrans-60.7-45.6175.5-63.30000112.1R132 L133 L139 V140R132-S136 PolarHBondContact O-N 3.24Å; R132-S136 VanDerWaalsContact O-N 3.12Å; R132-S136 PolarHBondContact O-OG 3.36Å; L133-S136 PolarHBondContact O-N 3.03Å; S136-L139 PolarHBondContact O-N 3.38Å; S136-V140 PolarHBondContact O-N 3.32Å
137L90.9Very high92.5Very high78 Ų78102.5 Ų102.541%0.40851%0.511SS..Hα-helixtrans-61.9-43.4175.4-93.9155.4000112.5L129 L133 N134 L139 V140 I141L129-L137 HydrophobicContact CD1-CD1 3.08Å; L133-L137 PolarHBondContact O-N 3.39Å; N134-L137 PolarHBondContact O-N 3.33Å; L137-L139 VanDerWaalsContact C-N 3.3Å; L137-L139 PolarHBondContact O-N 3.4Å; L137-V140 PolarHBondContact O-N 2.89Å; L137-I141 WeakPolarHBondContact O-CB 3.38Å; L137-I141 VanDerWaalsContact O-CG1 3.26Å; L137-I141 WeakPolarHBondContact O-CG1 3.39Å; L137-I141 PolarHBondContact O-N 3.47Å
138R91.9Very high92.7Very high161 Ų161102.7 Ų102.761%0.60851%0.512SS*.Hα-helixtrans-60.6-38.3177-78.3179.5178.8-110.31.6112.5N134 S135 I141 N142N134-R138 WeakPolarHBondContact O-CB 3.36Å; N134-R138 WeakPolarHBondContact O-CG 3.29Å; N134-R138 PolarHBondContact O-N 3.42Å; N134-R138 WeakPolarHBondContact OD1-CD 3.46Å; N134-R138 PolarHBondContact OD1-NE 2.86Å; S135-R138 PolarHBondContact O-N 3.35Å; R138-I141 PolarHBondContact O-N 2.85Å; R138-N142 VanDerWaalsContact O-CB 3.29Å; R138-N142 WeakPolarHBondContact O-CB 3.48Å; R138-N142 PolarHBondContact O-N 3.2Å; R138-N142 PolarHBondContact O-ND2 3.37Å
139L95.3Very high92.9Very high124 Ų12496.5 Ų96.565%0.64950%0.503SS*.Hα-helixtrans-60.9-47175-75.5169.2000111.4S135 S136 L137 N142 A143S135-L139 WeakPolarHBondContact O-CG 3.26Å; S135-L139 PolarHBondContact O-N 2.95Å; S136-L139 PolarHBondContact O-N 3.38Å; L137-L139 VanDerWaalsContact C-N 3.3Å; L137-L139 PolarHBondContact O-N 3.4Å; L139-N142 PolarHBondContact O-N 3.18Å; L139-A143 PolarHBondContact O-N 3.47Å
140V94Very high93Very high85 Ų8596.7 Ų96.752%0.51551%0.505SS..Hα-helixtrans-63.6-47177.5177.10000111.1S136 L137 N142 A143 I144S136-V140 PolarHBondContact O-N 3.32Å; L137-V140 PolarHBondContact O-N 2.89Å; V140-N142 VanDerWaalsContact C-N 3.32Å; V140-N142 PolarHBondContact O-N 2.97Å; V140-A143 WeakPolarHBondContact O-CB 3.34Å; V140-A143 PolarHBondContact O-N 2.86Å; V140-I144 HydrophobicContact CG1-CD1 3.82Å; V140-I144 HydrophobicContact CG1-CG1 4.43Å; V140-I144 WeakPolarHBondContact O-CG1 3.49Å; V140-I144 PolarHBondContact O-N 3.31Å
141I93Very high92.9Very high81 Ų8197.6 Ų97.642%0.41551%0.509SS..Hα-helixtrans-58-44.9177.6-69.4165.1000110.7L137 R138 A143 I144 N145L137-I141 WeakPolarHBondContact O-CB 3.38Å; L137-I141 VanDerWaalsContact O-CG1 3.26Å; L137-I141 WeakPolarHBondContact O-CG1 3.39Å; L137-I141 PolarHBondContact O-N 3.47Å; R138-I141 PolarHBondContact O-N 2.85Å; I141-A143 VanDerWaalsContact C-N 3.35Å; I141-A143 PolarHBondContact O-N 3.17Å; I141-I144 PolarHBondContact O-N 3.08Å; I141-N145 WeakPolarHBondContact O-CB 3.49Å; I141-N145 PolarHBondContact O-N 3.01Å; I141-N145 PolarHBondContact O-ND2 3.41Å
142N95.4Very high92.8Very high103 Ų10395.6 Ų95.655%0.55150%0.498SS*.Hα-helixtrans-64.5-39.1178.5-72.7-14.1000112.3R138 L139 V140 K146R138-N142 VanDerWaalsContact O-CB 3.29Å; R138-N142 WeakPolarHBondContact O-CB 3.48Å; R138-N142 PolarHBondContact O-N 3.2Å; R138-N142 PolarHBondContact O-ND2 3.37Å; L139-N142 PolarHBondContact O-N 3.18Å; V140-N142 VanDerWaalsContact C-N 3.32Å; V140-N142 PolarHBondContact O-N 2.97Å; N142-K146 WeakPolarHBondContact O-CB 3.34Å; N142-K146 PolarHBondContact O-N 3.23Å
143A94.4Very high92.7Very high52 Ų5288.9 Ų88.943%0.4348%0.477SS..Hα-helixtrans-63.2-48.1175.600000111.3L139 V140 I141 N145 K146 I147L139-A143 PolarHBondContact O-N 3.47Å; V140-A143 WeakPolarHBondContact O-CB 3.34Å; V140-A143 PolarHBondContact O-N 2.86Å; I141-A143 VanDerWaalsContact C-N 3.35Å; I141-A143 PolarHBondContact O-N 3.17Å; A143-N145 PolarHBondContact O-N 3.28Å; A143-K146 WeakPolarHBondContact O-CB 3.5Å; A143-K146 PolarHBondContact O-N 3.44Å; A143-I147 WeakPolarHBondContact O-CG1 2.98Å; A143-I147 PolarHBondContact O-N 2.99Å
144I92.7Very high92.5Very high76 Ų7687.1 Ų87.139%0.3947%0.469SS..Hα-helixtrans-60.9-47177.2-66.3169.4000110.7V140 I141 K146 I147 K148V140-I144 HydrophobicContact CG1-CD1 3.82Å; V140-I144 HydrophobicContact CG1-CG1 4.43Å; V140-I144 WeakPolarHBondContact O-CG1 3.49Å; V140-I144 PolarHBondContact O-N 3.31Å; I141-I144 PolarHBondContact O-N 3.08Å; I144-K146 VanDerWaalsContact C-N 3.25Å; I144-K146 PolarHBondContact O-N 2.94Å; I144-I147 WeakPolarHBondContact O-CB 3.38Å; I144-I147 PolarHBondContact O-N 3.4Å; I144-I147 VanDerWaalsContact O-N 3.14Å; I144-K148 HydrophobicContact CG2-CD 4.14Å; I144-K148 HydrophobicContact CG2-CG 4.32Å; I144-K148 PolarHBondContact O-N 3.3Å
145N94.6Very high92.5Very high92 Ų9292 Ų9249%0.49248%0.484SS..Hα-helixtrans-60.2-38178.2-73.3-15.3000111.6I141 A143 K148 S149I141-N145 WeakPolarHBondContact O-CB 3.49Å; I141-N145 PolarHBondContact O-N 3.01Å; I141-N145 PolarHBondContact O-ND2 3.41Å; A143-N145 PolarHBondContact O-N 3.28Å; N145-K148 PolarHBondContact O-N 3.31Å; N145-S149 VanDerWaalsContact O-CB 3.28Å; N145-S149 WeakPolarHBondContact O-CB 3.28Å; N145-S149 PolarHBondContact O-N 3.3Å
146K93.4Very high92.4Very high156 Ų15693.6 Ų93.668%0.67849%0.486SS*.Hα-helixtrans-66.1-40.6176-171.7171-178.2176.50112.1N142 A143 I144 S149N142-K146 WeakPolarHBondContact O-CB 3.34Å; N142-K146 PolarHBondContact O-N 3.23Å; A143-K146 WeakPolarHBondContact O-CB 3.5Å; A143-K146 PolarHBondContact O-N 3.44Å; I144-K146 VanDerWaalsContact C-N 3.25Å; I144-K146 PolarHBondContact O-N 2.94Å; K146-S149 PolarHBondContact O-OG 2.98Å
147I92.6Very high92.3Very high42 Ų4294.9 Ų94.922%0.21548%0.484CS..Hα-helixtrans-61.4-53.7173.4-66.6161.7000109.9A143 I144 S149 N150 N153 F157A143-I147 WeakPolarHBondContact O-CG1 2.98Å; A143-I147 PolarHBondContact O-N 2.99Å; I144-I147 WeakPolarHBondContact O-CB 3.38Å; I144-I147 PolarHBondContact O-N 3.4Å; I144-I147 VanDerWaalsContact O-N 3.14Å; I147-S149 VanDerWaalsContact C-N 3.26Å; I147-S149 PolarHBondContact O-N 3.42Å; I147-N150 PolarHBondContact O-N 3.1Å; I147-N153 HydrophobicContact CG2-CB 4.44Å; I147-N153 WeakPolarHBondContact O-CB 3.42Å; I147-F157 HydrophobicContact CD1-CD2 3.72Å; I147-F157 HydrophobicContact CD1-CE2 3.79Å; I147-F157 HydrophobicContact CD1-CG 4.17Å; I147-F157 HydrophobicContact CD1-CZ 4.31Å; I147-F157 HydrophobicContact CG2-CB 3.73Å; I147-F157 HydrophobicContact CG2-CD2 4.49Å; I147-F157 HydrophobicContact CG2-CG 4Å
148K91.5Very high92.1Very high140 Ų14095.5 Ų95.561%0.60949%0.488SS*.Hα-helixtrans-67-22.8-176.9-70.1-165.6171-1640114.3I144 N145 N150I144-K148 HydrophobicContact CG2-CD 4.14Å; I144-K148 HydrophobicContact CG2-CG 4.32Å; I144-K148 PolarHBondContact O-N 3.3Å; N145-K148 PolarHBondContact O-N 3.31Å; K148-N150 PolarHBondContact O-N 3.11Å
149S93.3Very high91.9Very high95 Ų9594.5 Ų94.566%0.66449%0.494SS*.THydrogen-bonded Turntrans-64.7-18.617870.80000113.7N145 K146 I147N145-S149 VanDerWaalsContact O-CB 3.28Å; N145-S149 WeakPolarHBondContact O-CB 3.28Å; N145-S149 PolarHBondContact O-N 3.3Å; K146-S149 PolarHBondContact O-OG 2.98Å; I147-S149 VanDerWaalsContact C-N 3.26Å; I147-S149 PolarHBondContact O-N 3.42Å
150N92Very high91.4Very high61 Ų6195.1 Ų95.133%0.32650%0.496SS..SBendtrans-125.5119.2177.5-173.8-28.9000110.8I147 K148 L152 N153 D154I147-N150 PolarHBondContact O-N 3.1Å; K148-N150 PolarHBondContact O-N 3.11Å; N150-L152 PolarHBondContact O-N 3.32Å; N150-L152 VanDerWaalsContact O-N 3.09Å; N150-L152 WeakPolarHBondContact OD1-CB 3.22Å; N150-L152 PolarHBondContact OD1-N 3.47Å; N150-N153 HydrophobicContact CB-CB 4.12Å; N150-N153 PolarHBondContact O-N 3.21Å; N150-D154 PolarHBondContact O-N 2.88Å
151P89.9Confident90.4Very high85 Ų8594.8 Ų94.855%0.55249%0.494SS*.Hα-helixtrans-57.3-26.5179.8-24.432.6000114.8R155P151-R155 WeakPolarHBondContact O-CG 3.5Å; P151-R155 PolarHBondContact O-N 3.02Å; P151-R155 PolarHBondContact O-NE 3.5Å
152L91.7Very high88.8Confident101 Ų101102.4 Ų102.453%0.52953%0.533SS..Hα-helixtrans-71.4-44.6174-75.6168.4000111.3N150 D154 R155 L156N150-L152 PolarHBondContact O-N 3.32Å; N150-L152 VanDerWaalsContact O-N 3.09Å; N150-L152 WeakPolarHBondContact OD1-CB 3.22Å; N150-L152 PolarHBondContact OD1-N 3.47Å; L152-D154 VanDerWaalsContact C-N 3.35Å; L152-R155 PolarHBondContact O-N 2.86Å; L152-L156 WeakPolarHBondContact O-CB 3.37Å; L152-L156 VanDerWaalsContact O-CG 3.31Å; L152-L156 WeakPolarHBondContact O-CG 3.45Å; L152-L156 PolarHBondContact O-N 3.36Å
153N89.7Confident88.4Confident68 Ų68102.4 Ų102.436%0.36453%0.532SS..Hα-helixtrans-65-40.7179-68.9-14.3000111.2I147 N150 L156 F157I147-N153 HydrophobicContact CG2-CB 4.44Å; I147-N153 WeakPolarHBondContact O-CB 3.42Å; N150-N153 HydrophobicContact CB-CB 4.12Å; N150-N153 PolarHBondContact O-N 3.21Å; N153-L156 PolarHBondContact O-N 2.87Å; N153-F157 VanDerWaalsContact O-CB 3.22Å; N153-F157 WeakPolarHBondContact O-CB 3.4Å; N153-F157 PolarHBondContact O-N 3.14Å
154D89.4Confident88.1Confident53 Ų53105.1 Ų105.128%0.28354%0.538SS..Hα-helixtrans-62.8-44.4177.9-164.257.5000111.7N150 L152 F157 N158N150-D154 PolarHBondContact O-N 2.88Å; L152-D154 VanDerWaalsContact C-N 3.35Å; D154-F157 PolarHBondContact O-N 3.38Å; D154-N158 VanDerWaalsContact O-CG 3.3Å; D154-N158 PolarHBondContact O-N 2.74Å; D154-N158 PolarHBondContact O-ND2 3.21Å
155R91.6Very high87.8Confident148 Ų148106.7 Ų106.756%0.55855%0.546SS*.Hα-helixtrans-62.5-49.7174.7-77.8178.6-81.7172.2-7.7112.5P151 L152 F157 N158 D159P151-R155 WeakPolarHBondContact O-CG 3.5Å; P151-R155 PolarHBondContact O-N 3.02Å; P151-R155 PolarHBondContact O-NE 3.5Å; L152-R155 PolarHBondContact O-N 2.86Å; R155-F157 VanDerWaalsContact C-N 3.26Å; R155-F157 PolarHBondContact O-N 2.96Å; R155-N158 PolarHBondContact O-N 3.25Å; R155-D159 PolarHBondContact O-N 3.48Å; R155-D159 VanDerWaalsContact O-N 3.09Å
156L90.7Very high87.4Confident102 Ų102107.5 Ų107.553%0.53455%0.549SS..Hα-helixtrans-60.4-38.6177.4-73.2170.8000111.9L152 N153 D159 M160L152-L156 WeakPolarHBondContact O-CB 3.37Å; L152-L156 VanDerWaalsContact O-CG 3.31Å; L152-L156 WeakPolarHBondContact O-CG 3.45Å; L152-L156 PolarHBondContact O-N 3.36Å; N153-L156 PolarHBondContact O-N 2.87Å; L156-D159 PolarHBondContact O-N 3.27Å; L156-M160 WeakPolarHBondContact O-CE 3.45Å; L156-M160 WeakPolarHBondContact O-CG 3.31Å; L156-M160 PolarHBondContact O-N 2.98Å
157F89.6Confident87.1Confident90 Ų90104.5 Ų104.540%0.39554%0.541SS..Hα-helixtrans-65.6-43.7177.7-168.9-95.5000111.6I147 N153 D154 R155 D159 M160 T161I147-F157 HydrophobicContact CD1-CD2 3.72Å; I147-F157 HydrophobicContact CD1-CE2 3.79Å; I147-F157 HydrophobicContact CD1-CG 4.17Å; I147-F157 HydrophobicContact CD1-CZ 4.31Å; I147-F157 HydrophobicContact CG2-CB 3.73Å; I147-F157 HydrophobicContact CG2-CD2 4.49Å; I147-F157 HydrophobicContact CG2-CG 4Å; N153-F157 VanDerWaalsContact O-CB 3.22Å; N153-F157 WeakPolarHBondContact O-CB 3.4Å; N153-F157 PolarHBondContact O-N 3.14Å; D154-F157 PolarHBondContact O-N 3.38Å; R155-F157 VanDerWaalsContact C-N 3.26Å; R155-F157 PolarHBondContact O-N 2.96Å; F157-D159 VanDerWaalsContact C-N 3.3Å; F157-D159 PolarHBondContact O-N 3.09Å; F157-M160 HydrophobicContact CB-CE 4.42Å; F157-M160 HydrophobicContact CD2-CE 4.12Å; F157-M160 PolarHBondContact O-N 3.42Å; F157-M160 VanDerWaalsContact O-N 3.08Å; F157-T161 HydrophobicContact CE1-CG2 4.23Å; F157-T161 PolarHBondContact O-N 3.31Å; F157-T161 PolarHBondContact O-OG1 2.88Å
158N88.3Confident86.7Confident90 Ų90108.7 Ų108.748%0.48156%0.563SS.*Hα-helixtrans-59.7-39.7175.7-71.3-25.8000112.1D154 R155 M160 T161D154-N158 VanDerWaalsContact O-CG 3.3Å; D154-N158 PolarHBondContact O-N 2.74Å; D154-N158 PolarHBondContact O-ND2 3.21Å; R155-N158 PolarHBondContact O-N 3.25Å; N158-M160 PolarHBondContact O-N 3.09Å; N158-T161 WeakPolarHBondContact CA-OG1 3.4Å; N158-T161 PolarHBondContact O-N 3.05Å; N158-T161 PolarHBondContact O-OG1 2.93Å
159D87.5Confident86.4Confident140 Ų140106.4 Ų106.475%0.74956%0.559SS**Hα-helixtrans-65.9-22.8176.6-73-14.4000113.4R155 L156 F157R155-D159 PolarHBondContact O-N 3.48Å; R155-D159 VanDerWaalsContact O-N 3.09Å; L156-D159 PolarHBondContact O-N 3.27Å; F157-D159 VanDerWaalsContact C-N 3.3Å; F157-D159 PolarHBondContact O-N 3.09Å
160M83.4Confident85.8Confident137 Ų137107.3 Ų107.368%0.67555%0.551SS**Hα-helixtrans-87.7-16.6178.5-70.1-175.3-68.400113.6L156 F157 N158L156-M160 WeakPolarHBondContact O-CE 3.45Å; L156-M160 WeakPolarHBondContact O-CG 3.31Å; L156-M160 PolarHBondContact O-N 2.98Å; F157-M160 HydrophobicContact CB-CE 4.42Å; F157-M160 HydrophobicContact CD2-CE 4.12Å; F157-M160 PolarHBondContact O-N 3.42Å; F157-M160 VanDerWaalsContact O-N 3.08Å; N158-M160 PolarHBondContact O-N 3.09Å
161T73.5Confident85.3Confident79 Ų79111.2 Ų111.249%0.48557%0.57SS.*  trans-92.2119.1176.230.60000110.2F157 N158F157-T161 HydrophobicContact CE1-CG2 4.23Å; F157-T161 PolarHBondContact O-N 3.31Å; F157-T161 PolarHBondContact O-OG1 2.88Å; N158-T161 WeakPolarHBondContact CA-OG1 3.4Å; N158-T161 PolarHBondContact O-N 3.05Å; N158-T161 PolarHBondContact O-OG1 2.93Å
162I58.6Low84.9Confident241 Ų241113.5 Ų113.5100%1.23657%0.572SS**  trans-66.40179.5-46.6173.8000110.9

Retrieved 162 of 162 residues in 326 ms (Link to these results)