A0A077Z0E5_TRITR Loading...

tRNA specific adenosine deaminase 2

AlphaFold DB , UniProt , Accession A0A077Z0E5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 315 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
1M41.7Very low82.5Confident233 Ų23384.1 Ų84.1100%1.14844%0.441SS*.  0122.60-76.4178.6-166.700105.6L3M1-L3 PolarHBondContact O-N 3.27Å
2D57.7Low83.9Confident156 Ų15677.1 Ų77.183%0.83440%0.404SS*.  trans-59.3126.8176.4-63-36.9000108.4Y4D2-Y4 WeakPolarHBondContact CB-O 3.4Å; D2-Y4 PolarHBondContact O-N 3.02Å
3L76.7Confident85Confident112 Ų11271.2 Ų71.259%0.58637%0.373SS*.SBendtrans-68.7-16-172.1-130.385.9000112.6M1 F82 Y136M1-L3 PolarHBondContact O-N 3.27Å; L3-F82 WeakPolarHBondContact O-CE1 3.36Å; L3-Y136 HydrophobicContact CD2-CE1 4.16Å; L3-Y136 HydrophobicContact CD2-CE2 4.09Å; L3-Y136 VanDerWaalsContact CD2-CZ 3.46Å; L3-Y136 WeakPolarHBondContact CD2-OH 3.43Å
4Y81.2Confident85.9Confident73 Ų7373.9 Ų73.929%0.28639%0.387SS..SBendtrans-145.1160.4178.357.8-96.6000108.9D2 Y84 I106 Y136 V139D2-Y4 WeakPolarHBondContact CB-O 3.4Å; D2-Y4 PolarHBondContact O-N 3.02Å; Y4-Y84 HydrophobicContact CD2-CE1 4.46Å; Y4-I106 HydrophobicContact CD1-CG1 4.41Å; Y4-I106 HydrophobicContact CD2-CG2 4.4Å; Y4-I106 HydrophobicContact CG-CG1 4.19Å; Y4-Y136 HydrophobicContact CD1-CD1 4.37Å; Y4-Y136 HydrophobicContact CD1-CG 4.18Å; Y4-Y136 HydrophobicContact CE1-CD1 4.07Å; Y4-Y136 HydrophobicContact CE1-CG 4.15Å; Y4-V139 HydrophobicContact CE2-CG1 3.79Å; Y4-V139 HydrophobicContact CE2-CG2 4.28Å
5S87.1Confident86.8Confident35 Ų3570.9 Ų70.925%0.24537%0.371CS..  trans-103.1126179.9-168.40000111E7 Y8 Y84S5-E7 WeakPolarHBondContact CB-OE1 3.47Å; S5-E7 PolarHBondContact O-N 2.86Å; S5-E7 WeakPolarHBondContact OG-CG 3.44Å; S5-E7 PolarHBondContact OG-OE1 2.99Å; S5-Y8 PolarHBondContact O-N 3.06Å; S5-Y84 PolarHBondContact N-OH 3.33Å; S5-Y84 WeakPolarHBondContact O-CE1 3.46Å
6S84.3Confident87.5Confident78 Ų7866.4 Ų66.455%0.54535%0.348SS..Hα-helixtrans-66-16.1178.157.30000113.2S10S6-S10 WeakPolarHBondContact O-CB 3.42Å; S6-S10 PolarHBondContact O-N 3.29Å; S6-S10 PolarHBondContact O-OG 2.88Å
7E93.7Very high88.1Confident95 Ų9566.6 Ų66.644%0.44435%0.347SS..Hα-helixtrans-64.3-41.3176.977.3-155.4147.800111.8S5 S10 E11S5-E7 WeakPolarHBondContact CB-OE1 3.47Å; S5-E7 PolarHBondContact O-N 2.86Å; S5-E7 WeakPolarHBondContact OG-CG 3.44Å; S5-E7 PolarHBondContact OG-OE1 2.99Å; E7-S10 WeakPolarHBondContact O-CB 3.46Å; E7-S10 PolarHBondContact O-N 3.42Å; E7-S10 VanDerWaalsContact O-N 3.17Å; E7-E11 PolarHBondContact O-N 3.17Å
8Y97Very high88.7Confident25 Ų2567.8 Ų67.810%0.09835%0.351CS..Hα-helixtrans-72.8-34-179.6-60.2-58.7000112.5S5 S10 E11 A12 V32 R35 V37 Y84S5-Y8 PolarHBondContact O-N 3.06Å; Y8-S10 VanDerWaalsContact C-N 3.29Å; Y8-E11 WeakPolarHBondContact O-CB 3.45Å; Y8-E11 PolarHBondContact O-N 3.18Å; Y8-A12 PolarHBondContact O-N 2.85Å; Y8-V32 HydrophobicContact CD1-CG2 3.64Å; Y8-V32 HydrophobicContact CD2-CG1 4.32Å; Y8-V32 HydrophobicContact CD2-CG2 4.01Å; Y8-V32 HydrophobicContact CE1-CG1 4.09Å; Y8-V32 HydrophobicContact CE1-CG2 3.99Å; Y8-V32 HydrophobicContact CE2-CG1 3.87Å; Y8-V32 HydrophobicContact CE2-CG2 4.35Å; Y8-V32 HydrophobicContact CG-CG2 3.65Å; Y8-R35 WeakPolarHBondContact OH-CA 3.45Å; Y8-R35 PolarHBondContact OH-O 3.1Å; Y8-V37 HydrophobicContact CD1-CG2 4.14Å; Y8-V37 HydrophobicContact CE1-CG2 4.11Å; Y8-Y84 AromaticContact CD2-CE2 3.8Å; Y8-Y84 HydrophobicContact CD2-CE2 3.8Å; Y8-Y84 AromaticContact CD2-CZ 3.8Å; Y8-Y84 HydrophobicContact CG-CD2 4.39Å; Y8-Y84 HydrophobicContact CG-CE2 4.02Å
9L94.9Very high89.1Confident2 Ų264.3 Ų64.31%0.0133%0.332CS..Hα-helixtrans-67.9-35.2171.2-169.764.4000110.9E11 A12 F13 Y84 V139 C140L9-E11 VanDerWaalsContact C-N 3.3Å; L9-E11 PolarHBondContact O-N 3.27Å; L9-A12 HydrophobicContact CD1-CB 4.41Å; L9-A12 WeakPolarHBondContact O-CB 3.46Å; L9-A12 PolarHBondContact O-N 3.4Å; L9-F13 HydrophobicContact CD1-CE2 4.46Å; L9-F13 HydrophobicContact CD2-CE2 4.12Å; L9-F13 HydrophobicContact CG-CD2 4.16Å; L9-F13 HydrophobicContact CG-CE2 3.83Å; L9-F13 WeakPolarHBondContact O-CD2 3.44Å; L9-F13 PolarHBondContact O-N 3.22Å; L9-Y84 HydrophobicContact CB-CD1 4.05Å; L9-V139 HydrophobicContact CD2-CB 3.77Å; L9-V139 HydrophobicContact CD2-CG1 3.47Å; L9-V139 VanDerWaalsContact CD2-CG1 3.47Å; L9-V139 VanDerWaalsContact CD2-O 3.3Å; L9-V139 WeakPolarHBondContact CD2-O 3.49Å; L9-C140 HydrophobicContact CD2-CB 4.17Å
10S95.9Very high89.5Confident47 Ų4762.7 Ų62.733%0.32932%0.324SS..Hα-helixtrans-63.9-37173.8-60.10000111.9S6 E7 Y8 F13 L14S6-S10 WeakPolarHBondContact O-CB 3.42Å; S6-S10 PolarHBondContact O-N 3.29Å; S6-S10 PolarHBondContact O-OG 2.88Å; E7-S10 WeakPolarHBondContact O-CB 3.46Å; E7-S10 PolarHBondContact O-N 3.42Å; E7-S10 VanDerWaalsContact O-N 3.17Å; Y8-S10 VanDerWaalsContact C-N 3.29Å; S10-F13 WeakPolarHBondContact O-CB 3.14Å; S10-F13 PolarHBondContact O-N 2.88Å; S10-L14 PolarHBondContact O-N 3.29Å; S10-L14 VanDerWaalsContact O-N 3.16Å
11E97.7Very high89.7Confident69 Ų6963.8 Ų63.832%0.32234%0.343SS..Hα-helixtrans-64.4-42.1171.4-171.6179.5173.800112E7 Y8 L9 F13 L14 L15 V30E7-E11 PolarHBondContact O-N 3.17Å; Y8-E11 WeakPolarHBondContact O-CB 3.45Å; Y8-E11 PolarHBondContact O-N 3.18Å; L9-E11 VanDerWaalsContact C-N 3.3Å; L9-E11 PolarHBondContact O-N 3.27Å; E11-F13 PolarHBondContact O-N 2.91Å; E11-L14 WeakPolarHBondContact O-CB 3.33Å; E11-L14 PolarHBondContact O-N 3.06Å; E11-L15 PolarHBondContact O-N 2.68Å; E11-V30 HydrophobicContact CB-CG2 4.1Å; E11-V30 HydrophobicContact CG-CG2 3.93Å
12A98.4Very high92.2Very high0 Ų057 Ų570%031%0.311CS..Hα-helixtrans-59.5-35.3172.400000112.2Y8 L9 L15 A16 G28 V30 T86Y8-A12 PolarHBondContact O-N 2.85Å; L9-A12 HydrophobicContact CD1-CB 4.41Å; L9-A12 WeakPolarHBondContact O-CB 3.46Å; L9-A12 PolarHBondContact O-N 3.4Å; A12-L15 PolarHBondContact O-N 3.31Å; A12-A16 WeakPolarHBondContact O-CB 3.36Å; A12-A16 PolarHBondContact O-N 3.5Å; A12-G28 WeakPolarHBondContact O-CA 3.18Å; A12-V30 HydrophobicContact CB-CG2 3.99Å; A12-T86 HydrophobicContact CB-CG2 4.13Å
13F98.3Very high93.8Very high0 Ų051.9 Ų51.90%030%0.295CS..Hα-helixtrans-67.5-34.9173.3-80.8-69.5000113.6L9 S10 E11 L15 A16 E17 T86 C140 R143 A144 L147L9-F13 HydrophobicContact CD1-CE2 4.46Å; L9-F13 HydrophobicContact CD2-CE2 4.12Å; L9-F13 HydrophobicContact CG-CD2 4.16Å; L9-F13 HydrophobicContact CG-CE2 3.83Å; L9-F13 WeakPolarHBondContact O-CD2 3.44Å; L9-F13 PolarHBondContact O-N 3.22Å; S10-F13 WeakPolarHBondContact O-CB 3.14Å; S10-F13 PolarHBondContact O-N 2.88Å; E11-F13 PolarHBondContact O-N 2.91Å; F13-L15 VanDerWaalsContact C-N 3.32Å; F13-L15 PolarHBondContact O-N 3.29Å; F13-A16 WeakPolarHBondContact O-CB 3.27Å; F13-A16 PolarHBondContact O-N 3.07Å; F13-E17 WeakPolarHBondContact O-CG 3.39Å; F13-E17 PolarHBondContact O-N 3Å; F13-T86 HydrophobicContact CB-CG2 4.47Å; F13-T86 HydrophobicContact CD1-CG2 3.59Å; F13-T86 HydrophobicContact CD2-CG2 4.37Å; F13-T86 HydrophobicContact CE1-CG2 3.8Å; F13-T86 HydrophobicContact CG-CG2 3.89Å; F13-T86 HydrophobicContact CZ-CG2 4.28Å; F13-C140 HydrophobicContact CE2-CB 3.85Å; F13-C140 HydrophobicContact CZ-CB 4.15Å; F13-R143 HydrophobicContact CD1-CG 3.93Å; F13-R143 HydrophobicContact CE1-CB 4.04Å; F13-R143 HydrophobicContact CE1-CG 3.66Å; F13-R143 HydrophobicContact CE2-CB 4.41Å; F13-R143 HydrophobicContact CE2-CG 4.29Å; F13-R143 HydrophobicContact CG-CG 4.37Å; F13-R143 HydrophobicContact CZ-CB 3.84Å; F13-R143 HydrophobicContact CZ-CG 3.86Å; F13-A144 HydrophobicContact CE1-CB 3.96Å; F13-A144 HydrophobicContact CZ-CB 3.92Å; F13-L147 HydrophobicContact CD1-CD2 4.43Å
14L98.4Very high94.7Very high109 Ų10946.6 Ų46.657%0.57127%0.267SS*.Hα-helixtrans-62.6-42174.6-65.6174.1000111.1S10 E11 A16 E17 E18S10-L14 PolarHBondContact O-N 3.29Å; S10-L14 VanDerWaalsContact O-N 3.16Å; E11-L14 WeakPolarHBondContact O-CB 3.33Å; E11-L14 PolarHBondContact O-N 3.06Å; L14-A16 VanDerWaalsContact C-N 3.34Å; L14-A16 PolarHBondContact O-N 2.91Å; L14-E17 PolarHBondContact O-N 3.19Å; L14-E18 PolarHBondContact O-N 2.93Å
15L98.6Very high95.3Very high29 Ų2945.3 Ų45.315%0.15227%0.267CS..Hα-helixtrans-64.6-37.7174.7-66.2169.3000112.3E11 A12 F13 E18 A19 C29 V30 R42E11-L15 PolarHBondContact O-N 2.68Å; A12-L15 PolarHBondContact O-N 3.31Å; F13-L15 VanDerWaalsContact C-N 3.32Å; F13-L15 PolarHBondContact O-N 3.29Å; L15-E18 WeakPolarHBondContact O-CB 3.24Å; L15-E18 PolarHBondContact O-N 3.06Å; L15-A19 PolarHBondContact O-N 3.29Å; L15-C29 VanDerWaalsContact CD1-O 3.27Å; L15-C29 WeakPolarHBondContact CD1-O 3.16Å; L15-V30 HydrophobicContact CD1-CG2 3.79Å; L15-R42 HydrophobicContact CB-CB 4.19Å; L15-R42 VanDerWaalsContact O-CB 3.3Å; L15-R42 WeakPolarHBondContact O-CB 3.28Å
16A98.5Very high95.8Very high0 Ų043.8 Ų43.80%026%0.256CS..Hα-helixtrans-67.7-37.1175.900000112.3A12 F13 L14 E18 A19 L20 P26 T86 L147A12-A16 WeakPolarHBondContact O-CB 3.36Å; A12-A16 PolarHBondContact O-N 3.5Å; F13-A16 WeakPolarHBondContact O-CB 3.27Å; F13-A16 PolarHBondContact O-N 3.07Å; L14-A16 VanDerWaalsContact C-N 3.34Å; L14-A16 PolarHBondContact O-N 2.91Å; A16-E18 VanDerWaalsContact C-N 3.35Å; A16-A19 PolarHBondContact O-N 2.84Å; A16-L20 PolarHBondContact O-N 3.43Å; A16-P26 WeakPolarHBondContact O-CB 3.42Å; A16-T86 HydrophobicContact CB-CG2 3.85Å; A16-L147 HydrophobicContact CB-CD2 3.36Å
17E98.1Very high96.5Very high70 Ų7041 Ų4133%0.32724%0.236SC..Hα-helixtrans-66.1-36.9172.5-73.1169.6-157.800111.4F13 L14 L20 A21 R143 L147F13-E17 WeakPolarHBondContact O-CG 3.39Å; F13-E17 PolarHBondContact O-N 3Å; L14-E17 PolarHBondContact O-N 3.19Å; E17-L20 WeakPolarHBondContact O-CB 3.46Å; E17-L20 PolarHBondContact O-N 3.33Å; E17-A21 PolarHBondContact O-N 2.94Å; E17-R143 IonicContact OE1-CZ 3.64Å; E17-R143 IonicContact OE1-NH2 2.62Å; E17-R143 PolarHBondContact OE1-NH2 2.92Å; E17-L147 HydrophobicContact CG-CD1 3.82Å
18E98Very high96.7Very high88 Ų8836.5 Ų36.541%0.41122%0.215SC..Hα-helixtrans-65.1-41172.1-168.3-162150.200112L14 L15 A16 L20 A21 N22 R42L14-E18 PolarHBondContact O-N 2.93Å; L15-E18 WeakPolarHBondContact O-CB 3.24Å; L15-E18 PolarHBondContact O-N 3.06Å; A16-E18 VanDerWaalsContact C-N 3.35Å; E18-L20 VanDerWaalsContact C-N 3.34Å; E18-L20 PolarHBondContact O-N 2.87Å; E18-A21 PolarHBondContact O-N 3.43Å; E18-N22 PolarHBondContact O-N 2.97Å; E18-N22 PolarHBondContact O-ND2 3.06Å; E18-R42 IonicContact OE1-CZ 2.82Å; E18-R42 IonicContact OE1-NE 3.65Å; E18-R42 PolarHBondContact OE1-NE 2.87Å; E18-R42 IonicContact OE1-NH2 3.53Å; E18-R42 PolarHBondContact OE1-NH2 2.87Å; E18-R42 IonicContact OE2-NE 3.93Å
19A97.6Very high96.8Very high0 Ų035.3 Ų35.30%021%0.21CC..Hα-helixtrans-59.3-46.8172.600000111.1L15 A16 A21 N22 G23 E24 R42L15-A19 PolarHBondContact O-N 3.29Å; A16-A19 PolarHBondContact O-N 2.84Å; A19-A21 VanDerWaalsContact C-N 3.32Å; A19-A21 PolarHBondContact O-N 2.81Å; A19-N22 CarbonylContact O-C 3.56Å; A19-N22 PolarHBondContact O-N 2.97Å; A19-N22 VanDerWaalsContact O-N 3.07Å; A19-G23 PolarHBondContact O-N 2.82Å; A19-E24 HydrophobicContact CB-CB 3.88Å; A19-E24 WeakPolarHBondContact O-CB 3.45Å; A19-E24 PolarHBondContact O-N 2.65Å; A19-R42 HydrophobicContact CB-CB 4.07Å; A19-R42 HydrophobicContact CB-CG 4.41Å
20L95.6Very high97Very high33 Ų3335.2 Ų35.217%0.17321%0.209CC..Hα-helixtrans-56.8-45.8177.2-172.555.8000112.1A16 E17 E18 N22 G23 P26 L147 R150 F151A16-L20 PolarHBondContact O-N 3.43Å; E17-L20 WeakPolarHBondContact O-CB 3.46Å; E17-L20 PolarHBondContact O-N 3.33Å; E18-L20 VanDerWaalsContact C-N 3.34Å; E18-L20 PolarHBondContact O-N 2.87Å; L20-N22 PolarHBondContact O-N 3.33Å; L20-G23 PolarHBondContact O-N 3.3Å; L20-G23 VanDerWaalsContact O-N 3.08Å; L20-P26 HydrophobicContact CB-CB 3.97Å; L20-P26 HydrophobicContact CD1-CB 4.36Å; L20-L147 HydrophobicContact CD2-CD1 4.16Å; L20-R150 HydrophobicContact CD2-CB 4.24Å; L20-F151 HydrophobicContact CD1-CB 3.83Å; L20-F151 HydrophobicContact CD1-CD2 3.98Å; L20-F151 HydrophobicContact CD1-CG 4.42Å
21A94.8Very high97.1Very high86 Ų8633 Ų3371%0.71119%0.194SC*.Hα-helixtrans-62.7-26.5179.700000113E17 E18 A19E17-A21 PolarHBondContact O-N 2.94Å; E18-A21 PolarHBondContact O-N 3.43Å; A19-A21 VanDerWaalsContact C-N 3.32Å; A19-A21 PolarHBondContact O-N 2.81Å
22N93.3Very high97.1Very high89 Ų8929.9 Ų29.948%0.47618%0.18SC..THydrogen-bonded Turntrans-949.6177.3-68-51000113.6E18 A19 L20 E24 R42E18-N22 PolarHBondContact O-N 2.97Å; E18-N22 PolarHBondContact O-ND2 3.06Å; A19-N22 CarbonylContact O-C 3.56Å; A19-N22 PolarHBondContact O-N 2.97Å; A19-N22 VanDerWaalsContact O-N 3.07Å; L20-N22 PolarHBondContact O-N 3.33Å; N22-E24 VanDerWaalsContact C-N 3.29Å; N22-E24 PolarHBondContact O-N 3.18Å; N22-R42 VanDerWaalsContact ND2-CZ 3.28Å; N22-R42 PolarHBondContact ND2-NH2 3.02Å; N22-R42 VanDerWaalsContact ND2-NH2 3.16Å
23G91.6Very high97Very high49 Ų4931.8 Ų31.851%0.50519%0.187SC..THydrogen-bonded Turntrans72.221.4-179.700000114A19 L20A19-G23 PolarHBondContact O-N 2.82Å; L20-G23 PolarHBondContact O-N 3.3Å; L20-G23 VanDerWaalsContact O-N 3.08Å
24E94.9Very high96.7Very high2 Ų237.9 Ų37.91%0.00922%0.22CC..SBendtrans-96.9158175.3-69.1-77.2-173.400111.1A19 N22 N43 A44 A45 N46 E47 F151A19-E24 HydrophobicContact CB-CB 3.88Å; A19-E24 WeakPolarHBondContact O-CB 3.45Å; A19-E24 PolarHBondContact O-N 2.65Å; N22-E24 VanDerWaalsContact C-N 3.29Å; N22-E24 PolarHBondContact O-N 3.18Å; E24-N43 HydrophobicContact CB-CB 4.39Å; E24-N43 WeakPolarHBondContact CB-O 3.5Å; E24-N43 WeakPolarHBondContact CG-O 3.27Å; E24-N43 PolarHBondContact OE2-ND2 2.81Å; E24-A44 WeakPolarHBondContact OE1-CA 3.41Å; E24-A45 PolarHBondContact OE1-N 2.97Å; E24-A45 PolarHBondContact OE2-N 2.79Å; E24-N46 VanDerWaalsContact OE1-CA 3.31Å; E24-N46 WeakPolarHBondContact OE1-CA 3.3Å; E24-N46 VanDerWaalsContact OE1-CB 3.26Å; E24-N46 WeakPolarHBondContact OE1-CB 3.47Å; E24-N46 PolarHBondContact OE1-N 3.2Å; E24-N46 PolarHBondContact OE2-N 3.4Å; E24-E47 PolarHBondContact OE1-N 3.24Å; E24-F151 WeakPolarHBondContact O-CD2 3.44Å; E24-F151 WeakPolarHBondContact O-CE2 3.42Å
25V95.7Very high96.5Very high46 Ų4642.1 Ų42.128%0.27923%0.228SC..  trans-58128.3171.7-174.90000108.4V27 N43 L148 F151V25-V27 HydrophobicContact CG1-CG2 4.1Å; V25-V27 PolarHBondContact O-N 3.02Å; V25-N43 WeakPolarHBondContact O-CB 3.43Å; V25-L148 HydrophobicContact CG1-CD2 4.36Å; V25-F151 HydrophobicContact CB-CZ 4.42Å; V25-F151 HydrophobicContact CG2-CE1 3.97Å; V25-F151 HydrophobicContact CG2-CZ 3.8Å
26P97.4Very high96.3Very high2 Ų245.6 Ų45.61%0.01324%0.244CC..  trans-82.371-165.636-41000111.7A16 L20 L147 L148 F151A16-P26 WeakPolarHBondContact O-CB 3.42Å; L20-P26 HydrophobicContact CB-CB 3.97Å; L20-P26 HydrophobicContact CD1-CB 4.36Å; P26-L147 HydrophobicContact CB-CD2 3.69Å; P26-L147 HydrophobicContact CB-CG 3.78Å; P26-L147 HydrophobicContact CG-CD2 4.4Å; P26-L147 HydrophobicContact CG-CG 4.16Å; P26-L147 WeakPolarHBondContact CG-O 3.31Å; P26-L148 HydrophobicContact CG-CD2 4.07Å; P26-F151 HydrophobicContact CG-CB 3.73Å; P26-F151 HydrophobicContact CG-CG 4.3Å
27V98.5Very high96.2Very high20 Ų2047.6 Ų47.612%0.12126%0.255CS..  trans-115.6129.8175.1-174.40000108.6V25 R42 N43 A55 V85 T86V25-V27 HydrophobicContact CG1-CG2 4.1Å; V25-V27 PolarHBondContact O-N 3.02Å; V27-R42 WeakPolarHBondContact O-CA 3.47Å; V27-N43 PolarHBondContact O-N 3.37Å; V27-A55 HydrophobicContact CB-CB 4.39Å; V27-A55 HydrophobicContact CG1-CB 3.9Å; V27-V85 HydrophobicContact CG1-CG1 4.04Å; V27-T86 WeakPolarHBondContact CA-OG1 3.39Å
28G98.6Very high96.2Very high0 Ų044.4 Ų44.40%024%0.241CC..EExtended strand (participates in β ladder)trans-129.4153.8176.300000110.5A12 G41 V85 T86A12-G28 WeakPolarHBondContact O-CA 3.18Å; G28-G41 CarbonylContact C-O 3.58Å; G28-G41 WeakPolarHBondContact CA-O 3.49Å; G28-V85 WeakPolarHBondContact O-CA 3.38Å; G28-T86 PolarHBondContact N-OG1 3.2Å; G28-T86 VanDerWaalsContact N-OG1 3.16Å; G28-T86 PolarHBondContact O-N 3.25Å
29C98.7Very high96.2Very high0 Ų040.2 Ų40.20%022%0.221CC..EExtended strand (participates in β ladder)trans-147.8140.2-171.6-177.10000111.5L15 S40 G41 A55 A59 L83 Y84 V85L15-C29 VanDerWaalsContact CD1-O 3.27Å; L15-C29 WeakPolarHBondContact CD1-O 3.16Å; C29-S40 CarbonylContact O-C 3.5Å; C29-S40 WeakPolarHBondContact O-CA 3.4Å; C29-G41 PolarHBondContact N-O 3.17Å; C29-G41 PolarHBondContact O-N 3.38Å; C29-A55 HydrophobicContact CB-CB 3.6Å; C29-A59 HydrophobicContact CB-CB 4.41Å; C29-L83 WeakPolarHBondContact SG-CD1 3.38Å; C29-Y84 CarbonylContact C-O 3.55Å; C29-Y84 WeakPolarHBondContact CA-O 3.37Å; C29-Y84 PolarHBondContact SG-O 3.16Å; C29-V85 HydrophobicContact CB-CG1 4.46Å
30V98.6Very high96.3Very high0 Ų041.3 Ų41.30%023%0.229CC..EExtended strand (participates in β ladder)trans-134.5131.1173.1-172.20000109E11 A12 L15 V32 V37 G39 Y84E11-V30 HydrophobicContact CB-CG2 4.1Å; E11-V30 HydrophobicContact CG-CG2 3.93Å; A12-V30 HydrophobicContact CB-CG2 3.99Å; L15-V30 HydrophobicContact CD1-CG2 3.79Å; V30-V32 HydrophobicContact CG1-CG2 3.96Å; V30-V37 HydrophobicContact CG1-CB 4.15Å; V30-V37 HydrophobicContact CG1-CG1 3.51Å; V30-V37 HydrophobicContact CG1-CG2 3.61Å; V30-G39 CarbonylContact C-O 3.55Å; V30-G39 WeakPolarHBondContact CA-O 3.24Å; V30-Y84 PolarHBondContact N-O 2.98Å; V30-Y84 PolarHBondContact O-N 2.86Å
31L98.5Very high96.4Very high0 Ų039.9 Ų39.90%022%0.222CC..EExtended strand (participates in β ladder)trans-106.7120.7174.8-17963.3000109.4I38 G39 F60 A63 L78 A81 L83L31-I38 HydrophobicContact CB-CG1 4.3Å; L31-I38 HydrophobicContact CD2-CD1 3.86Å; L31-I38 HydrophobicContact CD2-CG1 3.98Å; L31-I38 HydrophobicContact CG-CD1 3.97Å; L31-I38 HydrophobicContact CG-CG1 3.79Å; L31-I38 WeakPolarHBondContact O-CG1 3.26Å; L31-I38 PolarHBondContact O-N 2.76Å; L31-G39 PolarHBondContact N-O 2.97Å; L31-G39 PolarHBondContact O-N 2.84Å; L31-F60 HydrophobicContact CD2-CD1 3.99Å; L31-F60 HydrophobicContact CD2-CE1 4.17Å; L31-A63 HydrophobicContact CD2-CB 3.65Å; L31-L78 HydrophobicContact CD2-CD1 3.86Å; L31-L78 HydrophobicContact CD2-CD2 3.88Å; L31-A81 HydrophobicContact CD1-CB 3.71Å; L31-A81 HydrophobicContact CG-CB 4.5Å; L31-L83 HydrophobicContact CB-CD1 3.89Å; L31-L83 HydrophobicContact CD1-CB 4.17Å; L31-L83 HydrophobicContact CD1-CD1 3.86Å; L31-L83 HydrophobicContact CG-CD1 4.39Å
32V98.1Very high96.5Very high4 Ų437.2 Ų37.22%0.02419%0.193CC..EExtended strand (participates in β ladder)trans-118.6132.8-172.5-175.90000109.9Y8 V30 Q36 V37 A81 F82 Y84Y8-V32 HydrophobicContact CD1-CG2 3.64Å; Y8-V32 HydrophobicContact CD2-CG1 4.32Å; Y8-V32 HydrophobicContact CD2-CG2 4.01Å; Y8-V32 HydrophobicContact CE1-CG1 4.09Å; Y8-V32 HydrophobicContact CE1-CG2 3.99Å; Y8-V32 HydrophobicContact CE2-CG1 3.87Å; Y8-V32 HydrophobicContact CE2-CG2 4.35Å; Y8-V32 HydrophobicContact CG-CG2 3.65Å; V30-V32 HydrophobicContact CG1-CG2 3.96Å; V32-Q36 CarbonylContact C-O 3.53Å; V32-Q36 VanDerWaalsContact CA-O 3.31Å; V32-Q36 WeakPolarHBondContact CA-O 3.49Å; V32-V37 HydrophobicContact CG2-CG2 4.26Å; V32-A81 CarbonylContact O-C 3.55Å; V32-A81 VanDerWaalsContact O-CA 3.3Å; V32-A81 WeakPolarHBondContact O-CA 3.3Å; V32-F82 HydrophobicContact CB-CB 4.43Å; V32-F82 PolarHBondContact N-O 3.46Å; V32-F82 PolarHBondContact O-N 3.3Å; V32-Y84 HydrophobicContact CB-CE2 4.19Å; V32-Y84 HydrophobicContact CG2-CD2 3.95Å; V32-Y84 HydrophobicContact CG2-CE2 3.82Å
33R95.1Very high96.8Very high40 Ų4033.4 Ų33.415%0.15117%0.173CC..EExtended strand (participates in β ladder)trans-135.6133.5173.3-171.8-179.2-177.5-158.43.2108.9R35 Q36 I38 F67 D80 A81R33-R35 PolarHBondContact O-N 3.49Å; R33-Q36 PolarHBondContact N-O 2.92Å; R33-Q36 WeakPolarHBondContact O-CA 3.46Å; R33-Q36 WeakPolarHBondContact O-CB 3.35Å; R33-Q36 PolarHBondContact O-N 2.9Å; R33-Q36 VanDerWaalsContact O-O 3.06Å; R33-I38 HydrophobicContact CB-CD1 3.83Å; R33-I38 HydrophobicContact CB-CG1 4.29Å; R33-I38 HydrophobicContact CB-CG2 4.01Å; R33-F67 VanDerWaalsContact NH1-CZ 3.25Å; R33-D80 WeakPolarHBondContact CD-OD1 3.48Å; R33-D80 WeakPolarHBondContact CG-OD1 3.39Å; R33-D80 IonicContact CZ-OD1 3.69Å; R33-D80 IonicContact CZ-OD2 3.7Å; R33-D80 IonicContact NE-OD1 2.85Å; R33-D80 PolarHBondContact NE-OD1 3.32Å; R33-D80 IonicContact NE-OD2 3.06Å; R33-D80 PolarHBondContact NE-OD2 3.46Å; R33-D80 IonicContact NH2-OD1 3.78Å; R33-D80 IonicContact NH2-OD2 3.4Å; R33-D80 PolarHBondContact NH2-OD2 3.33Å; R33-A81 HydrophobicContact CB-CB 4.42Å
34N92.4Very high96.9Very high129 Ų12931.5 Ų31.569%0.6915%0.152SC*.THydrogen-bonded Turntrans5140.6-178.7-62.3-39.1000113.9Q36N34-Q36 PolarHBondContact O-N 2.93Å
35R93.2Very high96.8Very high197 Ų19732.2 Ų32.274%0.74316%0.159SC*.THydrogen-bonded Turntrans61.713.3-175.2-52-175.963.8132.86115.2Y8 R33Y8-R35 WeakPolarHBondContact OH-CA 3.45Å; Y8-R35 PolarHBondContact OH-O 3.1Å; R33-R35 PolarHBondContact O-N 3.49Å
36Q94.9Very high96.6Very high103 Ų10335.4 Ų35.448%0.48117%0.174SC..EExtended strand (participates in β ladder)trans-110.3134.2174.7-178175.93.900109.5V32 R33 N34 I38V32-Q36 CarbonylContact C-O 3.53Å; V32-Q36 VanDerWaalsContact CA-O 3.31Å; V32-Q36 WeakPolarHBondContact CA-O 3.49Å; R33-Q36 PolarHBondContact N-O 2.92Å; R33-Q36 WeakPolarHBondContact O-CA 3.46Å; R33-Q36 WeakPolarHBondContact O-CB 3.35Å; R33-Q36 PolarHBondContact O-N 2.9Å; R33-Q36 VanDerWaalsContact O-O 3.06Å; N34-Q36 PolarHBondContact O-N 2.93Å; Q36-I38 PolarHBondContact O-N 3.31Å
37V97.4Very high96.4Very high41 Ų4140.9 Ų40.925%0.24820%0.199CC..EExtended strand (participates in β ladder)trans-70.2116.5168.5177.10000108.2Y8 V30 V32 S40Y8-V37 HydrophobicContact CD1-CG2 4.14Å; Y8-V37 HydrophobicContact CE1-CG2 4.11Å; V30-V37 HydrophobicContact CG1-CB 4.15Å; V30-V37 HydrophobicContact CG1-CG1 3.51Å; V30-V37 HydrophobicContact CG1-CG2 3.61Å; V32-V37 HydrophobicContact CG2-CG2 4.26Å; V37-S40 VanDerWaalsContact CG1-OG 3.27Å; V37-S40 WeakPolarHBondContact CG1-OG 3.46Å
38I97.4Very high96Very high4 Ų442.8 Ų42.82%0.02121%0.213CC..EExtended strand (participates in β ladder)trans-101-15.3177.262.9167.6000111.9L31 R33 Q36 A63 W66 F67 L78L31-I38 HydrophobicContact CB-CG1 4.3Å; L31-I38 HydrophobicContact CD2-CD1 3.86Å; L31-I38 HydrophobicContact CD2-CG1 3.98Å; L31-I38 HydrophobicContact CG-CD1 3.97Å; L31-I38 HydrophobicContact CG-CG1 3.79Å; L31-I38 WeakPolarHBondContact O-CG1 3.26Å; L31-I38 PolarHBondContact O-N 2.76Å; R33-I38 HydrophobicContact CB-CD1 3.83Å; R33-I38 HydrophobicContact CB-CG1 4.29Å; R33-I38 HydrophobicContact CB-CG2 4.01Å; Q36-I38 PolarHBondContact O-N 3.31Å; I38-A63 HydrophobicContact CD1-CB 4.24Å; I38-A63 HydrophobicContact CG1-CB 4.3Å; I38-A63 VanDerWaalsContact O-CA 3.28Å; I38-A63 WeakPolarHBondContact O-CA 3.44Å; I38-A63 PolarHBondContact O-N 2.97Å; I38-W66 HydrophobicContact CB-CB 4.43Å; I38-W66 HydrophobicContact CB-CD2 3.87Å; I38-W66 HydrophobicContact CB-CE3 4.18Å; I38-W66 HydrophobicContact CB-CG 3.97Å; I38-W66 HydrophobicContact CG2-CD2 3.66Å; I38-W66 HydrophobicContact CG2-CE3 3.93Å; I38-W66 HydrophobicContact CG2-CG 4.2Å; I38-W66 HydrophobicContact CG2-CH2 4.12Å; I38-W66 HydrophobicContact CG2-CZ2 3.82Å; I38-W66 HydrophobicContact CG2-CZ3 4.17Å; I38-W66 WeakPolarHBondContact O-CB 3.2Å; I38-F67 HydrophobicContact CD1-CE2 4.09Å; I38-L78 HydrophobicContact CD1-CD2 3.74Å
39G98.2Very high95.6Very high0 Ų049 Ų490%024%0.24CC..EExtended strand (participates in β ladder)trans-159.5146.2173.500000112V30 L31V30-G39 CarbonylContact C-O 3.55Å; V30-G39 WeakPolarHBondContact CA-O 3.24Å; L31-G39 PolarHBondContact N-O 2.97Å; L31-G39 PolarHBondContact O-N 2.84Å
40S98.5Very high95.1Very high23 Ų2350.3 Ų50.316%0.16125%0.247CC..EExtended strand (participates in β ladder)trans-136.5142.4178.9-65.10000108.3C29 V37 Q62C29-S40 CarbonylContact O-C 3.5Å; C29-S40 WeakPolarHBondContact O-CA 3.4Å; V37-S40 VanDerWaalsContact CG1-OG 3.27Å; V37-S40 WeakPolarHBondContact CG1-OG 3.46Å; S40-Q62 PolarHBondContact O-OE1 3.35Å
41G98.3Very high94.8Very high2 Ų252.9 Ų52.92%0.02127%0.274CS..EExtended strand (participates in β ladder)trans-153.2148.3-178.400000112.7G28 C29 A55G28-G41 CarbonylContact C-O 3.58Å; G28-G41 WeakPolarHBondContact CA-O 3.49Å; C29-G41 PolarHBondContact N-O 3.17Å; C29-G41 PolarHBondContact O-N 3.38Å; G41-A55 WeakPolarHBondContact CA-O 2.89Å
42R98.3Very high94.6Very high30 Ų3054.2 Ų54.211%0.11328%0.282CS..EExtended strand (participates in β ladder)trans-125.5160.9166.969.4172.3175.479.71109.3L15 E18 A19 N22 V27 A44 E47L15-R42 HydrophobicContact CB-CB 4.19Å; L15-R42 VanDerWaalsContact O-CB 3.3Å; L15-R42 WeakPolarHBondContact O-CB 3.28Å; E18-R42 IonicContact OE1-CZ 2.82Å; E18-R42 IonicContact OE1-NE 3.65Å; E18-R42 PolarHBondContact OE1-NE 2.87Å; E18-R42 IonicContact OE1-NH2 3.53Å; E18-R42 PolarHBondContact OE1-NH2 2.87Å; E18-R42 IonicContact OE2-NE 3.93Å; A19-R42 HydrophobicContact CB-CB 4.07Å; A19-R42 HydrophobicContact CB-CG 4.41Å; N22-R42 VanDerWaalsContact ND2-CZ 3.28Å; N22-R42 PolarHBondContact ND2-NH2 3.02Å; N22-R42 VanDerWaalsContact ND2-NH2 3.16Å; V27-R42 WeakPolarHBondContact O-CA 3.47Å; R42-A44 PolarHBondContact O-N 3.21Å; R42-E47 IonicContact CZ-OE2 3.1Å; R42-E47 IonicContact NH1-OE2 3.91Å; R42-E47 PolarHBondContact NH1-OE2 3.17Å; R42-E47 IonicContact NH2-OE1 3.87Å; R42-E47 IonicContact NH2-OE2 3.99Å; R42-E47 PolarHBondContact NH2-OE2 3.14Å
43N97.9Very high94.5Very high9 Ų955.5 Ų55.55%0.04829%0.287CS..  trans-59.4132.3170.6-161.873.8000110E24 V25 V27E24-N43 HydrophobicContact CB-CB 4.39Å; E24-N43 WeakPolarHBondContact CB-O 3.5Å; E24-N43 WeakPolarHBondContact CG-O 3.27Å; E24-N43 PolarHBondContact OE2-ND2 2.81Å; V25-N43 WeakPolarHBondContact O-CB 3.43Å; V27-N43 PolarHBondContact O-N 3.37Å
44A95.2Very high94.7Very high9 Ų956 Ų567%0.07429%0.29CS..  trans-142.429.4-178.600000110.9E24 R42 E47 C48 R53E24-A44 WeakPolarHBondContact OE1-CA 3.41Å; R42-A44 PolarHBondContact O-N 3.21Å; A44-E47 HydrophobicContact CB-CB 4.38Å; A44-C48 VanDerWaalsContact O-CB 3.22Å; A44-C48 WeakPolarHBondContact O-CB 3.33Å; A44-C48 PolarHBondContact O-N 2.75Å; A44-C48 PolarHBondContact O-SG 3.08Å; A44-R53 HydrophobicContact CB-CB 4.4Å; A44-R53 PolarHBondContact N-O 3.08Å
45A92.8Very high95Very high17 Ų1749.9 Ų49.914%0.1426%0.258CS..THydrogen-bonded Turntrans-65.9-41.5-171.600000112.4E24 K49 N50E24-A45 PolarHBondContact OE1-N 2.97Å; E24-A45 PolarHBondContact OE2-N 2.79Å; A45-K49 CarbonylContact O-C 3.39Å; A45-K49 VanDerWaalsContact O-CA 3.31Å; A45-K49 WeakPolarHBondContact O-CA 3.5Å; A45-K49 PolarHBondContact O-N 2.92Å; A45-K49 VanDerWaalsContact O-N 3.09Å; A45-N50 WeakPolarHBondContact CA-O 3.29Å; A45-N50 PolarHBondContact O-N 3.42Å
46N91.3Very high95.2Very high113 Ų11340.8 Ų40.860%0.60422%0.224SC*.THydrogen-bonded Turntrans-74.1-45.6176.8-60.3-35.5000110.6E24 C48 K49E24-N46 VanDerWaalsContact OE1-CA 3.31Å; E24-N46 WeakPolarHBondContact OE1-CA 3.3Å; E24-N46 VanDerWaalsContact OE1-CB 3.26Å; E24-N46 WeakPolarHBondContact OE1-CB 3.47Å; E24-N46 PolarHBondContact OE1-N 3.2Å; E24-N46 PolarHBondContact OE2-N 3.4Å; N46-C48 VanDerWaalsContact C-N 3.33Å; N46-C48 PolarHBondContact O-N 2.81Å; N46-K49 PolarHBondContact O-N 3.41Å; N46-K49 VanDerWaalsContact O-N 3.09Å
47E91.7Very high95.4Very high117 Ų11736.8 Ų36.855%0.54721%0.205SC..THydrogen-bonded Turntrans-56.4-46.3179.7-171.5-175.2121.300111.5E24 R42 A44E24-E47 PolarHBondContact OE1-N 3.24Å; R42-E47 IonicContact CZ-OE2 3.1Å; R42-E47 IonicContact NH1-OE2 3.91Å; R42-E47 PolarHBondContact NH1-OE2 3.17Å; R42-E47 IonicContact NH2-OE1 3.87Å; R42-E47 IonicContact NH2-OE2 3.99Å; R42-E47 PolarHBondContact NH2-OE2 3.14Å; A44-E47 HydrophobicContact CB-CB 4.38Å
48C90.1Very high95.4Very high61 Ų6136.2 Ų36.241%0.41220%0.202SC..THydrogen-bonded Turntrans-88.9-1179.1-65.60000113.9A44 N46 N50 R53A44-C48 VanDerWaalsContact O-CB 3.22Å; A44-C48 WeakPolarHBondContact O-CB 3.33Å; A44-C48 PolarHBondContact O-N 2.75Å; A44-C48 PolarHBondContact O-SG 3.08Å; N46-C48 VanDerWaalsContact C-N 3.33Å; N46-C48 PolarHBondContact O-N 2.81Å; C48-N50 HydrophobicContact CB-CB 4.25Å; C48-N50 PolarHBondContact O-N 2.99Å; C48-N50 VanDerWaalsContact O-N 3.1Å; C48-R53 HydrophobicContact CB-CB 4.34Å; C48-R53 HydrophobicContact CB-CG 3.68Å
49K91Very high95.5Very high130 Ų13036 Ų3657%0.56520%0.201SC*.THydrogen-bonded Turntrans47.237.6-170.9-56.3176.4-172.4166.10112.9A45 N46 C185A45-K49 CarbonylContact O-C 3.39Å; A45-K49 VanDerWaalsContact O-CA 3.31Å; A45-K49 WeakPolarHBondContact O-CA 3.5Å; A45-K49 PolarHBondContact O-N 2.92Å; A45-K49 VanDerWaalsContact O-N 3.09Å; N46-K49 PolarHBondContact O-N 3.41Å; N46-K49 VanDerWaalsContact O-N 3.09Å; K49-C185 PolarHBondContact O-SG 3.24Å
50N88.6Confident95.5Very high27 Ų2736.3 Ų36.314%0.14420%0.202CC..  trans-138.5109.5-173.9177.4-1.5000110.1A45 C48 T52 R53A45-N50 WeakPolarHBondContact CA-O 3.29Å; A45-N50 PolarHBondContact O-N 3.42Å; C48-N50 HydrophobicContact CB-CB 4.25Å; C48-N50 PolarHBondContact O-N 2.99Å; C48-N50 VanDerWaalsContact O-N 3.1Å; N50-T52 PolarHBondContact ND2-OG1 3.02Å; N50-T52 PolarHBondContact O-N 3.08Å; N50-T52 PolarHBondContact OD1-N 3.08Å; N50-T52 PolarHBondContact OD1-OG1 2.65Å; N50-R53 HydrophobicContact CB-CG 3.66Å; N50-R53 WeakPolarHBondContact O-CB 3.4Å; N50-R53 WeakPolarHBondContact O-CG 3.39Å; N50-R53 PolarHBondContact O-N 2.96Å
51G93Very high95.4Very high55 Ų5536.8 Ų36.857%0.56720%0.203SC*.THydrogen-bonded Turntrans-63.2-5.4-17800000115.3H54G51-H54 PolarHBondContact O-NE2 2.62Å
52T93.9Very high95.3Very high27 Ų2740.9 Ų40.917%0.16622%0.221CC..THydrogen-bonded Turntrans-93-7.817472.40000113.6N50 H54 M57 M92N50-T52 PolarHBondContact ND2-OG1 3.02Å; N50-T52 PolarHBondContact O-N 3.08Å; N50-T52 PolarHBondContact OD1-N 3.08Å; N50-T52 PolarHBondContact OD1-OG1 2.65Å; T52-H54 PolarHBondContact O-N 3.11Å; T52-M57 WeakPolarHBondContact O-CB 3.44Å; T52-M57 VanDerWaalsContact O-CG 3.3Å; T52-M57 WeakPolarHBondContact O-CG 3.45Å; T52-M92 HydrophobicContact CG2-SD 4.04Å
53R96Very high95.2Very high32 Ų3239.4 Ų39.412%0.12122%0.216CC..  trans-79.252.9-176.1-56-60.5-62.8169.1-1.8112.8A44 C48 N50 D61 H194A44-R53 HydrophobicContact CB-CB 4.4Å; A44-R53 PolarHBondContact N-O 3.08Å; C48-R53 HydrophobicContact CB-CB 4.34Å; C48-R53 HydrophobicContact CB-CG 3.68Å; N50-R53 HydrophobicContact CB-CG 3.66Å; N50-R53 WeakPolarHBondContact O-CB 3.4Å; N50-R53 WeakPolarHBondContact O-CG 3.39Å; N50-R53 PolarHBondContact O-N 2.96Å; R53-D61 IonicContact CZ-OD2 3.69Å; R53-D61 IonicContact NH1-OD2 3.17Å; R53-D61 PolarHBondContact NH1-OD2 3.48Å; R53-D61 IonicContact NH2-OD2 2.78Å; R53-D61 PolarHBondContact NH2-OD2 3.32Å; R53-H194 PolarHBondContact NH1-NE2 3.19Å; R53-H194 VanDerWaalsContact NH1-NE2 3.19Å
54H98.4Very high95Very high50 Ų5041.7 Ų41.723%0.23123%0.23CC..  trans-75.2157168.9-66.2-173.9000110.5G51 T52 E56 M57 V58 C90 M92 C93G51-H54 PolarHBondContact O-NE2 2.62Å; T52-H54 PolarHBondContact O-N 3.11Å; H54-E56 VanDerWaalsContact C-N 3.26Å; H54-E56 WeakPolarHBondContact CB-OE2 3.42Å; H54-E56 PolarHBondContact O-N 2.9Å; H54-M57 HydrophobicContact CB-CG 4.48Å; H54-M57 PolarHBondContact O-N 3.39Å; H54-V58 WeakPolarHBondContact O-CG2 3.48Å; H54-V58 PolarHBondContact O-N 3.05Å; H54-C90 PolarHBondContact ND1-SG 2.89Å; H54-M92 HydrophobicContact CB-CE 4.23Å; H54-M92 WeakPolarHBondContact ND1-CE 3.46Å; H54-C93 PolarHBondContact ND1-SG 3.03Å; H54-C93 VanDerWaalsContact ND1-SG 3.45Å
55A98.6Very high95Very high0 Ų048.6 Ų48.60%025%0.254CS..Hα-helixtrans-52.9-42.1-175.500000113.1V27 C29 G41 V58 A59V27-A55 HydrophobicContact CB-CB 4.39Å; V27-A55 HydrophobicContact CG1-CB 3.9Å; C29-A55 HydrophobicContact CB-CB 3.6Å; G41-A55 WeakPolarHBondContact CA-O 2.89Å; A55-V58 PolarHBondContact O-N 2.97Å; A55-A59 WeakPolarHBondContact O-CB 3.48Å; A55-A59 PolarHBondContact O-N 3.29Å
56E98.7Very high95.1Very high6 Ų650.1 Ų50.13%0.02826%0.256CS..Hα-helixtrans-65.9-41.1-180-49.695.8124.900111.5H54 A59 F60 V85 P89 C93H54-E56 VanDerWaalsContact C-N 3.26Å; H54-E56 WeakPolarHBondContact CB-OE2 3.42Å; H54-E56 PolarHBondContact O-N 2.9Å; E56-A59 PolarHBondContact O-N 2.83Å; E56-F60 HydrophobicContact CB-CE2 4.23Å; E56-F60 WeakPolarHBondContact O-CD2 3.43Å; E56-F60 WeakPolarHBondContact O-CG 3.27Å; E56-F60 PolarHBondContact O-N 3.06Å; E56-V85 HydrophobicContact CG-CG1 4.07Å; E56-V85 HydrophobicContact CG-CG2 4.02Å; E56-P89 VanDerWaalsContact OE1-CA 3.25Å; E56-P89 WeakPolarHBondContact OE1-CA 3.36Å; E56-P89 WeakPolarHBondContact OE1-CB 3.35Å; E56-C93 HydrophobicContact CB-CB 4.13Å; E56-C93 HydrophobicContact CG-CB 4.12Å; E56-C93 WeakPolarHBondContact OE1-CB 3.35Å; E56-C93 PolarHBondContact OE1-SG 3.19Å; E56-C93 PolarHBondContact OE2-SG 3.39Å; E56-C93 VanDerWaalsContact OE2-SG 3.33Å
57M98.3Very high95.2Very high20 Ų2045.2 Ų45.210%0.09923%0.229CC..Hα-helixtrans-67-40.5178.5-61.5-49.9-5000111.5T52 H54 A59 F60 D61 M92 A96 I197T52-M57 WeakPolarHBondContact O-CB 3.44Å; T52-M57 VanDerWaalsContact O-CG 3.3Å; T52-M57 WeakPolarHBondContact O-CG 3.45Å; H54-M57 HydrophobicContact CB-CG 4.48Å; H54-M57 PolarHBondContact O-N 3.39Å; M57-A59 VanDerWaalsContact C-N 3.33Å; M57-F60 PolarHBondContact O-N 3.16Å; M57-F60 HydrophobicContact SD-CD2 4.26Å; M57-D61 PolarHBondContact O-N 3.2Å; M57-M92 HydrophobicContact CG-CE 3.86Å; M57-A96 HydrophobicContact CE-CB 4.39Å; M57-A96 HydrophobicContact SD-CB 3.81Å; M57-I197 HydrophobicContact CE-CD1 3.42Å; M57-I197 VanDerWaalsContact CE-CD1 3.42Å; M57-I197 HydrophobicContact SD-CD1 4.42Å
58V97.9Very high95.3Very high28 Ų2845.8 Ų45.817%0.1724%0.237CC..Hα-helixtrans-62.4-42.1174.3178.60000110.7H54 A55 D61 Q62H54-V58 WeakPolarHBondContact O-CG2 3.48Å; H54-V58 PolarHBondContact O-N 3.05Å; A55-V58 PolarHBondContact O-N 2.97Å; V58-D61 PolarHBondContact O-N 3.3Å; V58-Q62 PolarHBondContact O-N 3.25Å; V58-Q62 VanDerWaalsContact O-N 3.1Å
59A98.4Very high95.4Very high0 Ų047 Ų470%025%0.245CC..Hα-helixtrans-64.4-40.4177.200000112.3C29 A55 E56 M57 Q62 A63C29-A59 HydrophobicContact CB-CB 4.41Å; A55-A59 WeakPolarHBondContact O-CB 3.48Å; A55-A59 PolarHBondContact O-N 3.29Å; E56-A59 PolarHBondContact O-N 2.83Å; M57-A59 VanDerWaalsContact C-N 3.33Å; A59-Q62 PolarHBondContact O-N 2.89Å; A59-A63 WeakPolarHBondContact O-CB 3.43Å; A59-A63 PolarHBondContact O-N 3.44Å
60F98Very high95.3Very high6 Ų643.9 Ų43.93%0.02623%0.233CC..Hα-helixtrans-66.6-37.3176.1-65.3-43.5000113.3L31 E56 M57 Q62 A63 T64 L78 L83 A96 I97 L100 V102L31-F60 HydrophobicContact CD2-CD1 3.99Å; L31-F60 HydrophobicContact CD2-CE1 4.17Å; E56-F60 HydrophobicContact CB-CE2 4.23Å; E56-F60 WeakPolarHBondContact O-CD2 3.43Å; E56-F60 WeakPolarHBondContact O-CG 3.27Å; E56-F60 PolarHBondContact O-N 3.06Å; M57-F60 PolarHBondContact O-N 3.16Å; M57-F60 HydrophobicContact SD-CD2 4.26Å; F60-Q62 VanDerWaalsContact C-N 3.34Å; F60-A63 PolarHBondContact O-N 2.92Å; F60-T64 PolarHBondContact O-N 3.33Å; F60-T64 PolarHBondContact O-OG1 3.2Å; F60-L78 HydrophobicContact CD1-CD1 4.02Å; F60-L78 HydrophobicContact CE1-CD1 4.01Å; F60-L83 HydrophobicContact CE1-CD1 4.16Å; F60-L83 HydrophobicContact CE1-CD2 4.48Å; F60-L83 HydrophobicContact CZ-CD1 4.33Å; F60-L83 HydrophobicContact CZ-CD2 3.93Å; F60-A96 HydrophobicContact CD2-CB 4.44Å; F60-A96 HydrophobicContact CE2-CB 4.12Å; F60-I97 HydrophobicContact CE2-CG1 4.12Å; F60-I97 HydrophobicContact CZ-CG1 3.77Å; F60-L100 HydrophobicContact CB-CD1 4.17Å; F60-L100 HydrophobicContact CD1-CD1 3.64Å; F60-L100 HydrophobicContact CD2-CD1 3.72Å; F60-L100 HydrophobicContact CE1-CD1 3.88Å; F60-L100 HydrophobicContact CE2-CD1 3.95Å; F60-L100 HydrophobicContact CG-CD1 3.58Å; F60-L100 HydrophobicContact CZ-CD1 4.03Å; F60-V102 HydrophobicContact CE1-CG2 3.82Å; F60-V102 HydrophobicContact CZ-CG2 3.93Å
61D96.2Very high95.4Very high34 Ų3452.2 Ų52.218%0.18227%0.271CS..Hα-helixtrans-60.9-45.1172.5-79.64.9000111.1R53 M57 V58 A63 T64 R65 H194R53-D61 IonicContact CZ-OD2 3.69Å; R53-D61 IonicContact NH1-OD2 3.17Å; R53-D61 PolarHBondContact NH1-OD2 3.48Å; R53-D61 IonicContact NH2-OD2 2.78Å; R53-D61 PolarHBondContact NH2-OD2 3.32Å; M57-D61 PolarHBondContact O-N 3.2Å; V58-D61 PolarHBondContact O-N 3.3Å; D61-A63 VanDerWaalsContact C-N 3.33Å; D61-A63 PolarHBondContact O-N 2.98Å; D61-T64 WeakPolarHBondContact O-CB 3.09Å; D61-T64 PolarHBondContact O-N 3.18Å; D61-R65 WeakPolarHBondContact O-CG 3.49Å; D61-R65 PolarHBondContact O-N 2.88Å; D61-R65 VanDerWaalsContact O-N 3.16Å; D61-H194 IonicContact OD2-CD2 3.4Å; D61-H194 IonicContact OD2-CE1 3.72Å; D61-H194 IonicContact OD2-NE2 3.9Å; D61-H194 PolarHBondContact OD2-NE2 2.95Å
62Q97Very high95.1Very high87 Ų8754.6 Ų54.641%0.40727%0.274SS..Hα-helixtrans-65.1-39.3177.7-171.2174.91300111.4S40 V58 A59 F60 T64 R65 W66S40-Q62 PolarHBondContact O-OE1 3.35Å; V58-Q62 PolarHBondContact O-N 3.25Å; V58-Q62 VanDerWaalsContact O-N 3.1Å; A59-Q62 PolarHBondContact O-N 2.89Å; F60-Q62 VanDerWaalsContact C-N 3.34Å; Q62-T64 VanDerWaalsContact C-N 3.33Å; Q62-T64 PolarHBondContact O-N 2.88Å; Q62-R65 PolarHBondContact O-N 3.38Å; Q62-W66 PolarHBondContact O-N 3.37Å
63A96.4Very high94.6Very high0 Ų059.3 Ų59.30%031%0.306CS..Hα-helixtrans-61.4-41.6174.900000112.2L31 I38 A59 F60 D61 R65 W66 F67L31-A63 HydrophobicContact CD2-CB 3.65Å; I38-A63 HydrophobicContact CD1-CB 4.24Å; I38-A63 HydrophobicContact CG1-CB 4.3Å; I38-A63 VanDerWaalsContact O-CA 3.28Å; I38-A63 WeakPolarHBondContact O-CA 3.44Å; I38-A63 PolarHBondContact O-N 2.97Å; A59-A63 WeakPolarHBondContact O-CB 3.43Å; A59-A63 PolarHBondContact O-N 3.44Å; F60-A63 PolarHBondContact O-N 2.92Å; D61-A63 VanDerWaalsContact C-N 3.33Å; D61-A63 PolarHBondContact O-N 2.98Å; A63-R65 VanDerWaalsContact C-N 3.33Å; A63-R65 PolarHBondContact O-N 3.23Å; A63-W66 WeakPolarHBondContact O-CA 3.35Å; A63-W66 WeakPolarHBondContact O-CB 3.42Å; A63-W66 PolarHBondContact O-N 3.48Å; A63-F67 VanDerWaalsContact O-CD2 3.24Å; A63-F67 WeakPolarHBondContact O-CD2 3.02Å; A63-F67 PolarHBondContact O-N 2.99Å
64T94.5Very high93.9Very high56 Ų5660.7 Ų60.734%0.34432%0.317SS..Hα-helixtrans-56.8-48.8174.9-54.10000110.8F60 D61 Q62 W66 F67 D68F60-T64 PolarHBondContact O-N 3.33Å; F60-T64 PolarHBondContact O-OG1 3.2Å; D61-T64 WeakPolarHBondContact O-CB 3.09Å; D61-T64 PolarHBondContact O-N 3.18Å; Q62-T64 VanDerWaalsContact C-N 3.33Å; Q62-T64 PolarHBondContact O-N 2.88Å; T64-W66 VanDerWaalsContact C-N 3.27Å; T64-W66 PolarHBondContact O-N 3.5Å; T64-F67 PolarHBondContact O-N 2.87Å; T64-D68 PolarHBondContact O-N 3.46Å
65R94.3Very high93.5Very high154 Ų15463.9 Ų63.958%0.58134%0.341SS*.Hα-helixtrans-63.2-32.9175.4-63.5170.1-175166.90.1112.6D61 Q62 A63 D68 S69D61-R65 WeakPolarHBondContact O-CG 3.49Å; D61-R65 PolarHBondContact O-N 2.88Å; D61-R65 VanDerWaalsContact O-N 3.16Å; Q62-R65 PolarHBondContact O-N 3.38Å; A63-R65 VanDerWaalsContact C-N 3.33Å; A63-R65 PolarHBondContact O-N 3.23Å; R65-D68 PolarHBondContact O-N 2.94Å; R65-S69 WeakPolarHBondContact O-CB 3.33Å; R65-S69 PolarHBondContact O-N 3.02Å; R65-S69 PolarHBondContact O-OG 3.37Å; R65-S69 VanDerWaalsContact O-OG 3.07Å
66W95.4Very high93.2Very high49 Ų4967.6 Ų67.619%0.18636%0.357CS..Hα-helixtrans-65.2-45.1175.5-17796.2000110.9I38 Q62 A63 T64 S69 Q70I38-W66 HydrophobicContact CB-CB 4.43Å; I38-W66 HydrophobicContact CB-CD2 3.87Å; I38-W66 HydrophobicContact CB-CE3 4.18Å; I38-W66 HydrophobicContact CB-CG 3.97Å; I38-W66 HydrophobicContact CG2-CD2 3.66Å; I38-W66 HydrophobicContact CG2-CE3 3.93Å; I38-W66 HydrophobicContact CG2-CG 4.2Å; I38-W66 HydrophobicContact CG2-CH2 4.12Å; I38-W66 HydrophobicContact CG2-CZ2 3.82Å; I38-W66 HydrophobicContact CG2-CZ3 4.17Å; I38-W66 WeakPolarHBondContact O-CB 3.2Å; Q62-W66 PolarHBondContact O-N 3.37Å; A63-W66 WeakPolarHBondContact O-CA 3.35Å; A63-W66 WeakPolarHBondContact O-CB 3.42Å; A63-W66 PolarHBondContact O-N 3.48Å; T64-W66 VanDerWaalsContact C-N 3.27Å; T64-W66 PolarHBondContact O-N 3.5Å; W66-S69 PolarHBondContact O-N 3.37Å; W66-S69 PolarHBondContact O-OG 2.97Å; W66-Q70 VanDerWaalsContact CE2-NE2 3.3Å; W66-Q70 HydrophobicContact CE3-CG 4.35Å; W66-Q70 HydrophobicContact CH2-CG 4.33Å; W66-Q70 HydrophobicContact CZ3-CG 4.09Å; W66-Q70 WeakPolarHBondContact O-CG 3.45Å; W66-Q70 PolarHBondContact O-NE2 3.01Å
67F93.6Very high93Very high10 Ų1070.1 Ų70.14%0.04437%0.371CS..Hα-helixtrans-62.1-43.4174.9-83.8-82000112R33 I38 A63 T64 S69 Q70 T74 T75 F76 D77 L78R33-F67 VanDerWaalsContact NH1-CZ 3.25Å; I38-F67 HydrophobicContact CD1-CE2 4.09Å; A63-F67 VanDerWaalsContact O-CD2 3.24Å; A63-F67 WeakPolarHBondContact O-CD2 3.02Å; A63-F67 PolarHBondContact O-N 2.99Å; T64-F67 PolarHBondContact O-N 2.87Å; F67-S69 PolarHBondContact O-N 3.32Å; F67-Q70 WeakPolarHBondContact O-CG 3.12Å; F67-Q70 PolarHBondContact O-N 3.25Å; F67-T74 WeakPolarHBondContact CD1-OG1 3.39Å; F67-T75 WeakPolarHBondContact CE1-O 3.09Å; F67-F76 HydrophobicContact CB-CD2 4.28Å; F67-F76 AromaticContact CD2-CD2 3.54Å; F67-F76 HydrophobicContact CD2-CD2 3.54Å; F67-F76 AromaticContact CD2-CE2 3.85Å; F67-F76 HydrophobicContact CD2-CE2 3.85Å; F67-F76 HydrophobicContact CD2-CG 4.28Å; F67-F76 HydrophobicContact CE2-CD2 4.06Å; F67-F76 HydrophobicContact CE2-CE2 4.24Å; F67-F76 HydrophobicContact CE2-CG 4.48Å; F67-F76 AromaticContact CG-CD2 3.98Å; F67-F76 HydrophobicContact CG-CD2 3.98Å; F67-D77 WeakPolarHBondContact CZ-O 3.21Å; F67-L78 HydrophobicContact CE2-CD2 3.84Å; F67-L78 HydrophobicContact CZ-CD2 4.26Å
68D92.1Very high92.9Very high130 Ų13069.1 Ų69.170%0.69537%0.366SS*.Hα-helixtrans-66-25.2179-67.8-22.9000113.3T64 R65T64-D68 PolarHBondContact O-N 3.46Å; R65-D68 PolarHBondContact O-N 2.94Å
69S92Very high92.9Very high85 Ų8570.3 Ų70.359%0.59437%0.373SS*.THydrogen-bonded Turntrans-88.4-1.1-179.762.90000114.3R65 W66 F67R65-S69 WeakPolarHBondContact O-CB 3.33Å; R65-S69 PolarHBondContact O-N 3.02Å; R65-S69 PolarHBondContact O-OG 3.37Å; R65-S69 VanDerWaalsContact O-OG 3.07Å; W66-S69 PolarHBondContact O-N 3.37Å; W66-S69 PolarHBondContact O-OG 2.97Å; F67-S69 PolarHBondContact O-N 3.32Å
70Q90.8Very high92.7Very high66 Ų6673.1 Ų73.131%0.30839%0.388SS..  trans-70132.6177.2-58.8-54.3-65.500111.2W66 F67 V72 T74W66-Q70 VanDerWaalsContact CE2-NE2 3.3Å; W66-Q70 HydrophobicContact CE3-CG 4.35Å; W66-Q70 HydrophobicContact CH2-CG 4.33Å; W66-Q70 HydrophobicContact CZ3-CG 4.09Å; W66-Q70 WeakPolarHBondContact O-CG 3.45Å; W66-Q70 PolarHBondContact O-NE2 3.01Å; F67-Q70 WeakPolarHBondContact O-CG 3.12Å; F67-Q70 PolarHBondContact O-N 3.25Å; Q70-V72 WeakPolarHBondContact CB-O 3.43Å; Q70-V72 PolarHBondContact O-N 3.01Å; Q70-T74 HydrophobicContact CB-CG2 4.34Å; Q70-T74 HydrophobicContact CG-CG2 4.32Å; Q70-T74 WeakPolarHBondContact CG-OG1 3.45Å
71E89.4Confident92.7Very high201 Ų20172.9 Ų72.994%0.93939%0.387SS*.SBendtrans-60.6-32.6178.1-63.3-176.1154.100112.7
72V86.5Confident92.8Very high105 Ų10574.3 Ų74.364%0.63639%0.392SS*.SBendtrans-101.1127.9174.4-179.10000107.8Q70 T74Q70-V72 WeakPolarHBondContact CB-O 3.43Å; Q70-V72 PolarHBondContact O-N 3.01Å; V72-T74 PolarHBondContact O-N 3.37Å
73P83.3Confident92.8Very high127 Ų12770.1 Ų70.183%0.82537%0.372SS*.  trans-53116.2174.8-27.134.8000110.9
74T82.8Confident93Very high60 Ų6070.4 Ų70.437%0.36837%0.373SS..  trans-111.7136.1178.847.20000109.4F67 Q70 V72 F76F67-T74 WeakPolarHBondContact CD1-OG1 3.39Å; Q70-T74 HydrophobicContact CB-CG2 4.34Å; Q70-T74 HydrophobicContact CG-CG2 4.32Å; Q70-T74 WeakPolarHBondContact CG-OG1 3.45Å; V72-T74 PolarHBondContact O-N 3.37Å; T74-F76 PolarHBondContact O-N 3.41Å
75T89.1Confident93.1Very high118 Ų11867.8 Ų67.872%0.72436%0.357SS*.  trans-65.2130.7171.8-54.10000109F67 D77F67-T75 WeakPolarHBondContact CE1-O 3.09Å; T75-D77 PolarHBondContact O-N 3.22Å
76F92.1Very high93.3Very high77 Ų7760.6 Ų60.634%0.33833%0.33SS..  trans-62.4105.1169.2-172.1-76.7000109.1F67 T74 L78 L100F67-F76 HydrophobicContact CB-CD2 4.28Å; F67-F76 AromaticContact CD2-CD2 3.54Å; F67-F76 HydrophobicContact CD2-CD2 3.54Å; F67-F76 AromaticContact CD2-CE2 3.85Å; F67-F76 HydrophobicContact CD2-CE2 3.85Å; F67-F76 HydrophobicContact CD2-CG 4.28Å; F67-F76 HydrophobicContact CE2-CD2 4.06Å; F67-F76 HydrophobicContact CE2-CE2 4.24Å; F67-F76 HydrophobicContact CE2-CG 4.48Å; F67-F76 AromaticContact CG-CD2 3.98Å; F67-F76 HydrophobicContact CG-CD2 3.98Å; T74-F76 PolarHBondContact O-N 3.41Å; F76-L78 HydrophobicContact CE1-CD1 3.89Å; F76-L78 HydrophobicContact CE1-CG 3.85Å; F76-L78 HydrophobicContact CZ-CD1 3.89Å; F76-L78 HydrophobicContact CZ-CG 4.13Å; F76-L100 HydrophobicContact CE1-CD2 3.88Å; F76-L100 HydrophobicContact CZ-CD2 4.34Å
77D94.5Very high93.5Very high59 Ų5958.7 Ų58.732%0.31633%0.325SS..  trans-145.8120.7-176.1-1751.9000109.7F67 T75 T79F67-D77 WeakPolarHBondContact CZ-O 3.21Å; T75-D77 PolarHBondContact O-N 3.22Å; D77-T79 VanDerWaalsContact CG-OG1 3.32Å; D77-T79 VanDerWaalsContact OD1-CB 3.27Å; D77-T79 WeakPolarHBondContact OD1-CB 3.3Å; D77-T79 WeakPolarHBondContact OD1-CG2 3.11Å; D77-T79 PolarHBondContact OD1-N 2.99Å; D77-T79 PolarHBondContact OD1-OG1 3.37Å; D77-T79 PolarHBondContact OD2-OG1 3.19Å
78L96.8Very high93.7Very high0 Ų058.3 Ų58.30%032%0.323CS..  trans-112.311.2-179.8-59.6-174.5000112.4L31 I38 F60 F67 F76 D80 A81 L100 K101 V102 G103L31-L78 HydrophobicContact CD2-CD1 3.86Å; L31-L78 HydrophobicContact CD2-CD2 3.88Å; I38-L78 HydrophobicContact CD1-CD2 3.74Å; F60-L78 HydrophobicContact CD1-CD1 4.02Å; F60-L78 HydrophobicContact CE1-CD1 4.01Å; F67-L78 HydrophobicContact CE2-CD2 3.84Å; F67-L78 HydrophobicContact CZ-CD2 4.26Å; F76-L78 HydrophobicContact CE1-CD1 3.89Å; F76-L78 HydrophobicContact CE1-CG 3.85Å; F76-L78 HydrophobicContact CZ-CD1 3.89Å; F76-L78 HydrophobicContact CZ-CG 4.13Å; L78-D80 PolarHBondContact O-N 2.79Å; L78-A81 HydrophobicContact CB-CB 4.03Å; L78-A81 HydrophobicContact CD2-CB 4.13Å; L78-A81 VanDerWaalsContact O-CB 3.3Å; L78-A81 WeakPolarHBondContact O-CB 3.32Å; L78-A81 PolarHBondContact O-N 3.33Å; L78-L100 HydrophobicContact CD1-CB 4.17Å; L78-L100 HydrophobicContact CD1-CD1 4.36Å; L78-K101 CarbonylContact C-O 2.95Å; L78-V102 HydrophobicContact CB-CG2 4.31Å; L78-V102 HydrophobicContact CD1-CG2 4.14Å; L78-V102 WeakPolarHBondContact O-CA 3.3Å; L78-G103 PolarHBondContact O-N 3.08Å
79T96.8Very high94Very high52 Ų5252.1 Ų52.132%0.31929%0.29SS..THydrogen-bonded Turntrans-65.3-21-177.657.10000114D77 K101 G103 Y131D77-T79 VanDerWaalsContact CG-OG1 3.32Å; D77-T79 VanDerWaalsContact OD1-CB 3.27Å; D77-T79 WeakPolarHBondContact OD1-CB 3.3Å; D77-T79 WeakPolarHBondContact OD1-CG2 3.11Å; D77-T79 PolarHBondContact OD1-N 2.99Å; D77-T79 PolarHBondContact OD1-OG1 3.37Å; D77-T79 PolarHBondContact OD2-OG1 3.19Å; T79-K101 VanDerWaalsContact CA-O 3.26Å; T79-K101 WeakPolarHBondContact CA-O 3.25Å; T79-K101 HydrophobicContact CG2-CB 3.88Å; T79-K101 HydrophobicContact CG2-CD 4.49Å; T79-K101 PolarHBondContact N-O 2.99Å; T79-G103 VanDerWaalsContact O-CA 3.24Å; T79-G103 WeakPolarHBondContact O-CA 3.15Å; T79-Y131 WeakPolarHBondContact CA-OH 3.43Å; T79-Y131 WeakPolarHBondContact CB-OH 3.47Å; T79-Y131 HydrophobicContact CG2-CE2 3.74Å; T79-Y131 PolarHBondContact O-OH 3.07Å; T79-Y131 VanDerWaalsContact O-OH 3.06Å
80D95.4Very high94.3Very high60 Ų6048.9 Ų48.932%0.32127%0.267SS..THydrogen-bonded Turntrans-102.63.7173.364-9.9000113R33 L78R33-D80 WeakPolarHBondContact CD-OD1 3.48Å; R33-D80 WeakPolarHBondContact CG-OD1 3.39Å; R33-D80 IonicContact CZ-OD1 3.69Å; R33-D80 IonicContact CZ-OD2 3.7Å; R33-D80 IonicContact NE-OD1 2.85Å; R33-D80 PolarHBondContact NE-OD1 3.32Å; R33-D80 IonicContact NE-OD2 3.06Å; R33-D80 PolarHBondContact NE-OD2 3.46Å; R33-D80 IonicContact NH2-OD1 3.78Å; R33-D80 IonicContact NH2-OD2 3.4Å; R33-D80 PolarHBondContact NH2-OD2 3.33Å; L78-D80 PolarHBondContact O-N 2.79Å
81A97.5Very high94.6Very high0 Ų049.8 Ų49.80%027%0.272CS..  trans-88.9151.1-174.600000112.8L31 V32 R33 L78 G103 T104L31-A81 HydrophobicContact CD1-CB 3.71Å; L31-A81 HydrophobicContact CG-CB 4.5Å; V32-A81 CarbonylContact O-C 3.55Å; V32-A81 VanDerWaalsContact O-CA 3.3Å; V32-A81 WeakPolarHBondContact O-CA 3.3Å; R33-A81 HydrophobicContact CB-CB 4.42Å; L78-A81 HydrophobicContact CB-CB 4.03Å; L78-A81 HydrophobicContact CD2-CB 4.13Å; L78-A81 VanDerWaalsContact O-CB 3.3Å; L78-A81 WeakPolarHBondContact O-CB 3.32Å; L78-A81 PolarHBondContact O-N 3.33Å; A81-G103 PolarHBondContact O-N 3.21Å; A81-T104 PolarHBondContact O-N 3.25Å
82F98.2Very high95Very high64 Ų6442.8 Ų42.828%0.28124%0.24SC..EExtended strand (participates in β ladder)trans-113.4120177.5-66.1-107.9000108.8L3 V32 Y84 T104 I106L3-F82 WeakPolarHBondContact O-CE1 3.36Å; V32-F82 HydrophobicContact CB-CB 4.43Å; V32-F82 PolarHBondContact N-O 3.46Å; V32-F82 PolarHBondContact O-N 3.3Å; F82-Y84 HydrophobicContact CB-CD2 4.32Å; F82-Y84 HydrophobicContact CB-CE2 3.54Å; F82-T104 CarbonylContact C-O 3.53Å; F82-T104 WeakPolarHBondContact CA-O 3.42Å; F82-T104 HydrophobicContact CD1-CG2 4.02Å; F82-T104 HydrophobicContact CE1-CG2 4.24Å; F82-I106 HydrophobicContact CB-CD1 4.21Å; F82-I106 HydrophobicContact CD1-CD1 4Å
83L98.5Very high95.6Very high0 Ų037.8 Ų37.80%021%0.21CC..EExtended strand (participates in β ladder)trans-103117.3175.8-170.776.2000109.3C29 L31 F60 V85 I97 V102 T104 L105 I106C29-L83 WeakPolarHBondContact SG-CD1 3.38Å; L31-L83 HydrophobicContact CB-CD1 3.89Å; L31-L83 HydrophobicContact CD1-CB 4.17Å; L31-L83 HydrophobicContact CD1-CD1 3.86Å; L31-L83 HydrophobicContact CG-CD1 4.39Å; F60-L83 HydrophobicContact CE1-CD1 4.16Å; F60-L83 HydrophobicContact CE1-CD2 4.48Å; F60-L83 HydrophobicContact CZ-CD1 4.33Å; F60-L83 HydrophobicContact CZ-CD2 3.93Å; L83-V85 HydrophobicContact CD2-CG2 4.02Å; L83-V85 HydrophobicContact CG-CG2 3.9Å; L83-I97 HydrophobicContact CD2-CD1 3.6Å; L83-I97 HydrophobicContact CD2-CG1 3.67Å; L83-V102 HydrophobicContact CB-CG1 3.85Å; L83-T104 PolarHBondContact N-O 2.83Å; L83-L105 HydrophobicContact CB-CD1 4.47Å; L83-L105 HydrophobicContact CD2-CD1 4.08Å; L83-L105 HydrophobicContact CG-CD1 4.48Å; L83-I106 PolarHBondContact O-N 3.49Å
84Y98.6Very high96.3Very high6 Ų631.7 Ų31.72%0.02417%0.17CC..EExtended strand (participates in β ladder)trans-102.3126.6176.3-62.3-96.1000108.9Y4 S5 Y8 L9 C29 V30 V32 F82 I106Y4-Y84 HydrophobicContact CD2-CE1 4.46Å; S5-Y84 PolarHBondContact N-OH 3.33Å; S5-Y84 WeakPolarHBondContact O-CE1 3.46Å; Y8-Y84 AromaticContact CD2-CE2 3.8Å; Y8-Y84 HydrophobicContact CD2-CE2 3.8Å; Y8-Y84 AromaticContact CD2-CZ 3.8Å; Y8-Y84 HydrophobicContact CG-CD2 4.39Å; Y8-Y84 HydrophobicContact CG-CE2 4.02Å; L9-Y84 HydrophobicContact CB-CD1 4.05Å; C29-Y84 CarbonylContact C-O 3.55Å; C29-Y84 WeakPolarHBondContact CA-O 3.37Å; C29-Y84 PolarHBondContact SG-O 3.16Å; V30-Y84 PolarHBondContact N-O 2.98Å; V30-Y84 PolarHBondContact O-N 2.86Å; V32-Y84 HydrophobicContact CB-CE2 4.19Å; V32-Y84 HydrophobicContact CG2-CD2 3.95Å; V32-Y84 HydrophobicContact CG2-CE2 3.82Å; F82-Y84 HydrophobicContact CB-CD2 4.32Å; F82-Y84 HydrophobicContact CB-CE2 3.54Å; Y84-I106 CarbonylContact C-O 3.51Å; Y84-I106 WeakPolarHBondContact CA-O 3.3Å; Y84-I106 HydrophobicContact CD1-CB 3.88Å; Y84-I106 HydrophobicContact CD1-CD1 4.11Å; Y84-I106 HydrophobicContact CD1-CG1 4.26Å; Y84-I106 HydrophobicContact CD1-CG2 4.12Å; Y84-I106 HydrophobicContact CE1-CB 4.21Å; Y84-I106 HydrophobicContact CE1-CD1 3.86Å; Y84-I106 HydrophobicContact CE1-CG1 4.1Å; Y84-I106 HydrophobicContact CE1-CG2 4.42Å; Y84-I106 HydrophobicContact CE2-CD1 4.34Å; Y84-I106 HydrophobicContact CG-CD1 4.48Å
85V98.6Very high97Very high0 Ų029.5 Ų29.50%016%0.158CC..EExtended strand (participates in β ladder)trans-135.8138-177.4-162.30000110.4V27 G28 C29 E56 L83 S87 P89 L105 I106 F107 G108V27-V85 HydrophobicContact CG1-CG1 4.04Å; G28-V85 WeakPolarHBondContact O-CA 3.38Å; C29-V85 HydrophobicContact CB-CG1 4.46Å; E56-V85 HydrophobicContact CG-CG1 4.07Å; E56-V85 HydrophobicContact CG-CG2 4.02Å; L83-V85 HydrophobicContact CD2-CG2 4.02Å; L83-V85 HydrophobicContact CG-CG2 3.9Å; V85-S87 VanDerWaalsContact C-N 3.3Å; V85-S87 WeakPolarHBondContact CG1-O 3.3Å; V85-S87 PolarHBondContact O-N 3.16Å; V85-P89 HydrophobicContact CG2-CG 4.42Å; V85-L105 HydrophobicContact CG2-CD1 3.89Å; V85-I106 PolarHBondContact N-O 3.11Å; V85-F107 HydrophobicContact CB-CB 4.3Å; V85-F107 CarbonylContact O-C 3.54Å; V85-F107 WeakPolarHBondContact O-CA 3.2Å; V85-F107 WeakPolarHBondContact O-CB 3.41Å; V85-G108 PolarHBondContact O-N 2.87Å
86T98.3Very high97.4Very high3 Ų324.1 Ų24.12%0.01813%0.126CC..EExtended strand (participates in β ladder)trans-70.9-24.8-179.358.30000113.5A12 F13 A16 V27 G28 G108 C109 A144A12-T86 HydrophobicContact CB-CG2 4.13Å; F13-T86 HydrophobicContact CB-CG2 4.47Å; F13-T86 HydrophobicContact CD1-CG2 3.59Å; F13-T86 HydrophobicContact CD2-CG2 4.37Å; F13-T86 HydrophobicContact CE1-CG2 3.8Å; F13-T86 HydrophobicContact CG-CG2 3.89Å; F13-T86 HydrophobicContact CZ-CG2 4.28Å; A16-T86 HydrophobicContact CB-CG2 3.85Å; V27-T86 WeakPolarHBondContact CA-OG1 3.39Å; G28-T86 PolarHBondContact N-OG1 3.2Å; G28-T86 VanDerWaalsContact N-OG1 3.16Å; G28-T86 PolarHBondContact O-N 3.25Å; T86-G108 VanDerWaalsContact O-CA 3.24Å; T86-G108 WeakPolarHBondContact O-CA 3.33Å; T86-G108 PolarHBondContact O-N 2.76Å; T86-C109 PolarHBondContact O-N 3.29Å; T86-C109 VanDerWaalsContact O-N 3.15Å; T86-A144 WeakPolarHBondContact O-CB 3.27Å
87S97.9Very high97.7Very high10 Ų1020.5 Ų20.57%0.0711%0.11CC..EExtended strand (participates in β ladder)trans-131.6154177.7-167.90000110.8V85 C109V85-S87 VanDerWaalsContact C-N 3.3Å; V85-S87 WeakPolarHBondContact CG1-O 3.3Å; V85-S87 PolarHBondContact O-N 3.16Å; S87-C109 CarbonylContact C-O 3.49Å
88E98.5Very high97.8Very high2 Ų217.8 Ų17.81%0.00910%0.096CC..PPolyproline II helixtrans-57.1128.3177.3180-174.9171.800110.6C90 F107 C109 R110 N111 F117 G118 S119E88-C90 PolarHBondContact O-N 2.77Å; E88-F107 HydrophobicContact CB-CD2 3.87Å; E88-F107 HydrophobicContact CB-CE1 4.44Å; E88-F107 HydrophobicContact CB-CE2 3.73Å; E88-F107 HydrophobicContact CB-CG 4.29Å; E88-F107 HydrophobicContact CB-CZ 4Å; E88-F107 HydrophobicContact CG-CE1 4.17Å; E88-F107 HydrophobicContact CG-CE2 4.18Å; E88-F107 HydrophobicContact CG-CZ 3.91Å; E88-C109 PolarHBondContact N-O 3.19Å; E88-R110 WeakPolarHBondContact OE2-CD 3.49Å; E88-N111 HydrophobicContact CB-CB 3.77Å; E88-N111 HydrophobicContact CG-CB 4.43Å; E88-N111 WeakPolarHBondContact O-CB 3.41Å; E88-N111 PolarHBondContact O-ND2 3.01Å; E88-N111 PolarHBondContact OE2-N 3.22Å; E88-F117 HydrophobicContact CG-CB 4.36Å; E88-F117 VanDerWaalsContact OE1-C 3.31Å; E88-F117 WeakPolarHBondContact OE1-CA 3.32Å; E88-F117 PolarHBondContact OE1-N 3.07Å; E88-G118 PolarHBondContact OE1-N 2.98Å; E88-G118 VanDerWaalsContact OE1-N 3.07Å; E88-S119 PolarHBondContact OE1-N 3.4Å; E88-S119 VanDerWaalsContact OE1-N 3.14Å; E88-S119 WeakPolarHBondContact OE2-CB 3.32Å; E88-S119 PolarHBondContact OE2-OG 3Å
89P98.5Very high97.8Very high0 Ų023.7 Ų23.70%012%0.123CC..PPolyproline II helixtrans-55.2136.7179.5-28.835.9000112.8E56 V85 C93 A94 I97 L105 G116 F117E56-P89 VanDerWaalsContact OE1-CA 3.25Å; E56-P89 WeakPolarHBondContact OE1-CA 3.36Å; E56-P89 WeakPolarHBondContact OE1-CB 3.35Å; V85-P89 HydrophobicContact CG2-CG 4.42Å; P89-C93 HydrophobicContact CB-CB 3.81Å; P89-A94 HydrophobicContact CB-CB 4.48Å; P89-I97 HydrophobicContact CB-CD1 3.77Å; P89-I97 HydrophobicContact CG-CD1 3.57Å; P89-L105 HydrophobicContact CG-CD1 3.89Å; P89-L105 HydrophobicContact CG-CD2 3.97Å; P89-G116 PolarHBondContact O-N 3.34Å; P89-F117 HydrophobicContact CB-CD2 4.25Å; P89-F117 HydrophobicContact CB-CE2 4.31Å; P89-F117 HydrophobicContact CG-CD2 4.26Å; P89-F117 HydrophobicContact CG-CE2 4.35Å
90C98.3Very high97.7Very high16 Ų1623.2 Ų23.211%0.10812%0.118CC..BIsolated β-bridgetrans-69170.1174.177.50000111.2H54 E88 M92 C93 A94 F114H54-C90 PolarHBondContact ND1-SG 2.89Å; E88-C90 PolarHBondContact O-N 2.77Å; C90-M92 PolarHBondContact O-N 3.31Å; C90-M92 VanDerWaalsContact O-N 3.11Å; C90-C93 PolarHBondContact O-N 3.43Å; C90-C93 VanDerWaalsContact O-N 3.11Å; C90-A94 VanDerWaalsContact O-CB 3.3Å; C90-A94 WeakPolarHBondContact O-CB 3.3Å; C90-A94 PolarHBondContact O-N 2.83Å; C90-F114 CarbonylContact C-O 3.57Å; C90-F114 WeakPolarHBondContact CA-O 3.49Å; C90-F114 HydrophobicContact CB-CB 3.91Å
91M97.1Very high97.8Very high85 Ų8525.6 Ų25.642%0.41913%0.126SC..Hα-helixtrans-49.5-39.5178.7-65.1177.6-7700114.5A95 F114 I121 V123M91-A95 WeakPolarHBondContact O-CB 3.37Å; M91-A95 PolarHBondContact O-N 3.02Å; M91-F114 PolarHBondContact N-O 3.49Å; M91-I121 HydrophobicContact CG-CG2 3.58Å; M91-I121 HydrophobicContact SD-CG2 3.95Å; M91-V123 HydrophobicContact CB-CG2 4.36Å; M91-V123 HydrophobicContact CG-CG2 4.47Å
92M97.7Very high97.8Very high54 Ų5425.6 Ų25.627%0.26613%0.126SC..Hα-helixtrans-65-54.7177176.9-171.172.600111.2T52 H54 M57 C90 A94 A95 A96T52-M92 HydrophobicContact CG2-SD 4.04Å; H54-M92 HydrophobicContact CB-CE 4.23Å; H54-M92 WeakPolarHBondContact ND1-CE 3.46Å; M57-M92 HydrophobicContact CG-CE 3.86Å; C90-M92 PolarHBondContact O-N 3.31Å; C90-M92 VanDerWaalsContact O-N 3.11Å; M92-A94 VanDerWaalsContact C-N 3.31Å; M92-A94 PolarHBondContact O-N 3.25Å; M92-A95 PolarHBondContact O-N 3.01Å; M92-A96 PolarHBondContact O-N 3.5Å
93C98.5Very high97.8Very high0 Ų022.8 Ų22.80%012%0.115CC..Hα-helixtrans-63.6-38.4-179.4-59.80000111.2H54 E56 P89 C90 A95 A96 I97H54-C93 PolarHBondContact ND1-SG 3.03Å; H54-C93 VanDerWaalsContact ND1-SG 3.45Å; E56-C93 HydrophobicContact CB-CB 4.13Å; E56-C93 HydrophobicContact CG-CB 4.12Å; E56-C93 WeakPolarHBondContact OE1-CB 3.35Å; E56-C93 PolarHBondContact OE1-SG 3.19Å; E56-C93 PolarHBondContact OE2-SG 3.39Å; E56-C93 VanDerWaalsContact OE2-SG 3.33Å; P89-C93 HydrophobicContact CB-CB 3.81Å; C90-C93 PolarHBondContact O-N 3.43Å; C90-C93 VanDerWaalsContact O-N 3.11Å; C93-A95 PolarHBondContact O-N 2.95Å; C93-A96 WeakPolarHBondContact O-CB 3.49Å; C93-A96 PolarHBondContact O-N 2.8Å; C93-I97 WeakPolarHBondContact O-CD1 3.44Å; C93-I97 WeakPolarHBondContact O-CG1 3.45Å; C93-I97 PolarHBondContact O-N 2.94Å
94A98.3Very high97.7Very high0 Ų023.6 Ų23.60%012%0.12CC..Hα-helixtrans-62.5-41.8174.700000112.4P89 C90 M92 A96 I97 C98 F117 V123P89-A94 HydrophobicContact CB-CB 4.48Å; C90-A94 VanDerWaalsContact O-CB 3.3Å; C90-A94 WeakPolarHBondContact O-CB 3.3Å; C90-A94 PolarHBondContact O-N 2.83Å; M92-A94 VanDerWaalsContact C-N 3.31Å; M92-A94 PolarHBondContact O-N 3.25Å; A94-A96 VanDerWaalsContact C-N 3.31Å; A94-A96 PolarHBondContact O-N 3.16Å; A94-I97 PolarHBondContact O-N 3.21Å; A94-C98 PolarHBondContact O-N 3.42Å; A94-C98 PolarHBondContact O-SG 3.33Å; A94-F117 HydrophobicContact CB-CD2 3.75Å; A94-F117 HydrophobicContact CB-CE2 3.44Å; A94-F117 VanDerWaalsContact CB-CE2 3.44Å; A94-F117 HydrophobicContact CB-CZ 4.16Å; A94-V123 HydrophobicContact CB-CB 4Å; A94-V123 HydrophobicContact CB-CG1 4.4Å; A94-V123 HydrophobicContact CB-CG2 3.85Å
95A97.5Very high97.7Very high13 Ų1323.3 Ų23.311%0.10712%0.119CC..Hα-helixtrans-63.7-3817400000111.9M91 M92 C93 Q99 V123 F127M91-A95 WeakPolarHBondContact O-CB 3.37Å; M91-A95 PolarHBondContact O-N 3.02Å; M92-A95 PolarHBondContact O-N 3.01Å; C93-A95 PolarHBondContact O-N 2.95Å; A95-Q99 WeakPolarHBondContact O-CB 3.42Å; A95-Q99 VanDerWaalsContact O-CG 3.3Å; A95-Q99 WeakPolarHBondContact O-CG 3.43Å; A95-Q99 PolarHBondContact O-N 3.39Å; A95-Q99 PolarHBondContact O-NE2 3.19Å; A95-V123 HydrophobicContact CB-CG1 4.04Å; A95-F127 HydrophobicContact CB-CD2 4.4Å; A95-F127 HydrophobicContact CB-CE2 4.22Å
96A97.6Very high97.7Very high6 Ų623.3 Ų23.35%0.0512%0.119CC..Hα-helixtrans-64.7-47.5174.600000111.7M57 F60 M92 C93 A94 C98 Q99 L100M57-A96 HydrophobicContact CE-CB 4.39Å; M57-A96 HydrophobicContact SD-CB 3.81Å; F60-A96 HydrophobicContact CD2-CB 4.44Å; F60-A96 HydrophobicContact CE2-CB 4.12Å; M92-A96 PolarHBondContact O-N 3.5Å; C93-A96 WeakPolarHBondContact O-CB 3.49Å; C93-A96 PolarHBondContact O-N 2.8Å; A94-A96 VanDerWaalsContact C-N 3.31Å; A94-A96 PolarHBondContact O-N 3.16Å; A96-C98 VanDerWaalsContact C-N 3.3Å; A96-C98 PolarHBondContact O-N 3.45Å; A96-Q99 PolarHBondContact O-N 3.42Å; A96-L100 WeakPolarHBondContact O-CB 3.19Å; A96-L100 VanDerWaalsContact O-CG 3.29Å; A96-L100 WeakPolarHBondContact O-CG 3.33Å; A96-L100 PolarHBondContact O-N 3.11Å
97I98.3Very high97.7Very high0 Ų023.1 Ų23.10%012%0.118CC..Hα-helixtrans-54.3-46.2176.3-70.9162000111F60 L83 P89 C93 A94 K101 V102 L105 F117 V133F60-I97 HydrophobicContact CE2-CG1 4.12Å; F60-I97 HydrophobicContact CZ-CG1 3.77Å; L83-I97 HydrophobicContact CD2-CD1 3.6Å; L83-I97 HydrophobicContact CD2-CG1 3.67Å; P89-I97 HydrophobicContact CB-CD1 3.77Å; P89-I97 HydrophobicContact CG-CD1 3.57Å; C93-I97 WeakPolarHBondContact O-CD1 3.44Å; C93-I97 WeakPolarHBondContact O-CG1 3.45Å; C93-I97 PolarHBondContact O-N 2.94Å; A94-I97 PolarHBondContact O-N 3.21Å; I97-K101 PolarHBondContact O-N 3.04Å; I97-K101 VanDerWaalsContact O-N 3.14Å; I97-V102 HydrophobicContact CB-CG2 4.5Å; I97-V102 HydrophobicContact CG2-CB 3.95Å; I97-V102 HydrophobicContact CG2-CG2 4.19Å; I97-V102 PolarHBondContact O-N 3.24Å; I97-L105 HydrophobicContact CD1-CD1 4.3Å; I97-L105 HydrophobicContact CD1-CD2 4.44Å; I97-F117 HydrophobicContact CB-CE2 4.33Å; I97-F117 HydrophobicContact CB-CZ 4.16Å; I97-F117 HydrophobicContact CD1-CE2 3.86Å; I97-F117 HydrophobicContact CD1-CZ 4.47Å; I97-F117 HydrophobicContact CG2-CE2 4.18Å; I97-F117 HydrophobicContact CG2-CZ 3.71Å; I97-V133 HydrophobicContact CG2-CG1 4.03Å; I97-V133 HydrophobicContact CG2-CG2 4.25Å
98C96.9Very high97.6Very high3 Ų322.7 Ų22.72%0.0212%0.115CC..Hα-helixtrans-67.5-42.5178-66.50000112.9A94 A96 K101 Y129A94-C98 PolarHBondContact O-N 3.42Å; A94-C98 PolarHBondContact O-SG 3.33Å; A96-C98 VanDerWaalsContact C-N 3.3Å; A96-C98 PolarHBondContact O-N 3.45Å; C98-K101 PolarHBondContact O-N 3.04Å; C98-Y129 HydrophobicContact CB-CD1 4.35Å; C98-Y129 HydrophobicContact CB-CD2 3.21Å; C98-Y129 HydrophobicContact CB-CE2 3.64Å; C98-Y129 HydrophobicContact CB-CG 3.63Å
99Q96.1Very high97.5Very high124 Ų12422.7 Ų22.758%0.57912%0.115SC*.Hα-helixtrans-66.1-39.4179.3-77.4-178.274.100112.4A95 A96 K101 Y129A95-Q99 WeakPolarHBondContact O-CB 3.42Å; A95-Q99 VanDerWaalsContact O-CG 3.3Å; A95-Q99 WeakPolarHBondContact O-CG 3.43Å; A95-Q99 PolarHBondContact O-N 3.39Å; A95-Q99 PolarHBondContact O-NE2 3.19Å; A96-Q99 PolarHBondContact O-N 3.42Å; Q99-K101 PolarHBondContact O-N 3.15Å; Q99-Y129 HydrophobicContact CG-CE1 3.68Å; Q99-Y129 WeakPolarHBondContact CG-OH 3.44Å; Q99-Y129 PolarHBondContact NE2-OH 2.92Å
100L96.5Very high97.5Very high41 Ų4126.5 Ų26.522%0.21513%0.13CC..THydrogen-bonded Turntrans-79.3-4.2177.3-60.6175.2000113F60 F76 L78 A96 V102F60-L100 HydrophobicContact CB-CD1 4.17Å; F60-L100 HydrophobicContact CD1-CD1 3.64Å; F60-L100 HydrophobicContact CD2-CD1 3.72Å; F60-L100 HydrophobicContact CE1-CD1 3.88Å; F60-L100 HydrophobicContact CE2-CD1 3.95Å; F60-L100 HydrophobicContact CG-CD1 3.58Å; F60-L100 HydrophobicContact CZ-CD1 4.03Å; F76-L100 HydrophobicContact CE1-CD2 3.88Å; F76-L100 HydrophobicContact CZ-CD2 4.34Å; L78-L100 HydrophobicContact CD1-CB 4.17Å; L78-L100 HydrophobicContact CD1-CD1 4.36Å; A96-L100 WeakPolarHBondContact O-CB 3.19Å; A96-L100 VanDerWaalsContact O-CG 3.29Å; A96-L100 WeakPolarHBondContact O-CG 3.33Å; A96-L100 PolarHBondContact O-N 3.11Å; L100-V102 VanDerWaalsContact C-N 3.31Å; L100-V102 HydrophobicContact CB-CG2 4.37Å; L100-V102 PolarHBondContact O-N 3.13Å
101K96.9Very high97.3Very high110 Ų11027.2 Ų27.248%0.47813%0.132SC..THydrogen-bonded Turntrans53.745179.4-56.6178.8-179172.90112.7L78 T79 I97 C98 Q99 G103 Y131L78-K101 CarbonylContact C-O 2.95Å; T79-K101 VanDerWaalsContact CA-O 3.26Å; T79-K101 WeakPolarHBondContact CA-O 3.25Å; T79-K101 HydrophobicContact CG2-CB 3.88Å; T79-K101 HydrophobicContact CG2-CD 4.49Å; T79-K101 PolarHBondContact N-O 2.99Å; I97-K101 PolarHBondContact O-N 3.04Å; I97-K101 VanDerWaalsContact O-N 3.14Å; C98-K101 PolarHBondContact O-N 3.04Å; Q99-K101 PolarHBondContact O-N 3.15Å; K101-G103 PolarHBondContact O-N 3.33Å; K101-Y131 HydrophobicContact CB-CD1 3.79Å; K101-Y131 HydrophobicContact CB-CD2 3.99Å; K101-Y131 HydrophobicContact CB-CE1 4.06Å; K101-Y131 HydrophobicContact CB-CE2 4.24Å; K101-Y131 HydrophobicContact CB-CG 3.75Å; K101-Y131 HydrophobicContact CD-CD2 4.09Å; K101-Y131 HydrophobicContact CD-CG 4.28Å; K101-Y131 HydrophobicContact CG-CD1 4.33Å; K101-Y131 HydrophobicContact CG-CD2 4.17Å; K101-Y131 HydrophobicContact CG-CG 3.88Å; K101-Y131 WeakPolarHBondContact O-CE1 3.42Å
102V97.7Very high97Very high0 Ų031 Ų310%015%0.149CC..  trans-58.6128.2175.6177.90000109.3F60 L78 L83 I97 L100 Y131F60-V102 HydrophobicContact CE1-CG2 3.82Å; F60-V102 HydrophobicContact CZ-CG2 3.93Å; L78-V102 HydrophobicContact CB-CG2 4.31Å; L78-V102 HydrophobicContact CD1-CG2 4.14Å; L78-V102 WeakPolarHBondContact O-CA 3.3Å; L83-V102 HydrophobicContact CB-CG1 3.85Å; I97-V102 HydrophobicContact CB-CG2 4.5Å; I97-V102 HydrophobicContact CG2-CB 3.95Å; I97-V102 HydrophobicContact CG2-CG2 4.19Å; I97-V102 PolarHBondContact O-N 3.24Å; L100-V102 VanDerWaalsContact C-N 3.31Å; L100-V102 HydrophobicContact CB-CG2 4.37Å; L100-V102 PolarHBondContact O-N 3.13Å; V102-Y131 WeakPolarHBondContact O-CE1 3.39Å
103G97.2Very high96.7Very high5 Ų537.3 Ų37.35%0.05217%0.17CC..SBendtrans-61.2-54.8-174.900000113.4L78 T79 A81 K101 Q134L78-G103 PolarHBondContact O-N 3.08Å; T79-G103 VanDerWaalsContact O-CA 3.24Å; T79-G103 WeakPolarHBondContact O-CA 3.15Å; A81-G103 PolarHBondContact O-N 3.21Å; K101-G103 PolarHBondContact O-N 3.33Å; G103-Q134 PolarHBondContact O-N 3.01Å
104T97.6Very high96.5Very high17 Ų1742.8 Ų42.810%0.10419%0.194CC..EExtended strand (participates in β ladder)trans-132.9131.1-176.8-53.50000111.9A81 F82 L83 I106 Q134 Y136A81-T104 PolarHBondContact O-N 3.25Å; F82-T104 CarbonylContact C-O 3.53Å; F82-T104 WeakPolarHBondContact CA-O 3.42Å; F82-T104 HydrophobicContact CD1-CG2 4.02Å; F82-T104 HydrophobicContact CE1-CG2 4.24Å; L83-T104 PolarHBondContact N-O 2.83Å; T104-I106 HydrophobicContact CG2-CD1 3.65Å; T104-I106 HydrophobicContact CG2-CG1 4.19Å; T104-Q134 CarbonylContact C-O 3.5Å; T104-Q134 WeakPolarHBondContact CA-O 3.12Å; T104-Q134 HydrophobicContact CG2-CB 4.13Å; T104-Y136 HydrophobicContact CG2-CD2 3.54Å; T104-Y136 HydrophobicContact CG2-CE2 3.58Å
105L98Very high96.4Very high0 Ų042.8 Ų42.80%019%0.194CC..EExtended strand (participates in β ladder)trans-106.3127.9170.3170.265.2000109.7L83 V85 P89 I97 F107 F117 V133 Q134 V135 Y136L83-L105 HydrophobicContact CB-CD1 4.47Å; L83-L105 HydrophobicContact CD2-CD1 4.08Å; L83-L105 HydrophobicContact CG-CD1 4.48Å; V85-L105 HydrophobicContact CG2-CD1 3.89Å; P89-L105 HydrophobicContact CG-CD1 3.89Å; P89-L105 HydrophobicContact CG-CD2 3.97Å; I97-L105 HydrophobicContact CD1-CD1 4.3Å; I97-L105 HydrophobicContact CD1-CD2 4.44Å; L105-F107 HydrophobicContact CD2-CD1 4.06Å; L105-F107 HydrophobicContact CD2-CE1 4.44Å; L105-F107 HydrophobicContact CG-CD1 4.07Å; L105-F117 HydrophobicContact CD2-CD1 4.22Å; L105-F117 HydrophobicContact CD2-CD2 3.37Å; L105-F117 HydrophobicContact CD2-CE1 4.26Å; L105-F117 HydrophobicContact CD2-CE2 3.4Å; L105-F117 VanDerWaalsContact CD2-CE2 3.4Å; L105-F117 HydrophobicContact CD2-CG 3.8Å; L105-F117 HydrophobicContact CD2-CZ 3.88Å; L105-V133 HydrophobicContact CB-CG1 4.05Å; L105-Q134 PolarHBondContact N-O 3.26Å; L105-V135 HydrophobicContact CB-CG2 4.45Å; L105-V135 HydrophobicContact CD2-CG1 4.31Å; L105-V135 HydrophobicContact CD2-CG2 4.42Å; L105-V135 CarbonylContact O-C 3.59Å; L105-V135 WeakPolarHBondContact O-CA 3.24Å; L105-Y136 PolarHBondContact O-N 2.79Å
106I98Very high96.4Very high0 Ų042.2 Ų42.20%019%0.189CC..EExtended strand (participates in β ladder)trans-121.9126.7173.7-55.591.3000107.2Y4 F82 L83 Y84 V85 T104 Y136 V139Y4-I106 HydrophobicContact CD1-CG1 4.41Å; Y4-I106 HydrophobicContact CD2-CG2 4.4Å; Y4-I106 HydrophobicContact CG-CG1 4.19Å; F82-I106 HydrophobicContact CB-CD1 4.21Å; F82-I106 HydrophobicContact CD1-CD1 4Å; L83-I106 PolarHBondContact O-N 3.49Å; Y84-I106 CarbonylContact C-O 3.51Å; Y84-I106 WeakPolarHBondContact CA-O 3.3Å; Y84-I106 HydrophobicContact CD1-CB 3.88Å; Y84-I106 HydrophobicContact CD1-CD1 4.11Å; Y84-I106 HydrophobicContact CD1-CG1 4.26Å; Y84-I106 HydrophobicContact CD1-CG2 4.12Å; Y84-I106 HydrophobicContact CE1-CB 4.21Å; Y84-I106 HydrophobicContact CE1-CD1 3.86Å; Y84-I106 HydrophobicContact CE1-CG1 4.1Å; Y84-I106 HydrophobicContact CE1-CG2 4.42Å; Y84-I106 HydrophobicContact CE2-CD1 4.34Å; Y84-I106 HydrophobicContact CG-CD1 4.48Å; V85-I106 PolarHBondContact N-O 3.11Å; T104-I106 HydrophobicContact CG2-CD1 3.65Å; T104-I106 HydrophobicContact CG2-CG1 4.19Å; I106-Y136 WeakPolarHBondContact CA-O 3.39Å; I106-Y136 HydrophobicContact CG1-CD2 4.24Å; I106-V139 HydrophobicContact CG2-CB 4.1Å; I106-V139 HydrophobicContact CG2-CG1 4.46Å; I106-V139 HydrophobicContact CG2-CG2 3.68Å
107F97.8Very high96.3Very high0 Ų042.3 Ų42.30%019%0.188CC..EExtended strand (participates in β ladder)trans-138.2155.2177.468.7-100.6000115.8V85 E88 L105 C109 V135 Y136 P137 D138 V139V85-F107 HydrophobicContact CB-CB 4.3Å; V85-F107 CarbonylContact O-C 3.54Å; V85-F107 WeakPolarHBondContact O-CA 3.2Å; V85-F107 WeakPolarHBondContact O-CB 3.41Å; E88-F107 HydrophobicContact CB-CD2 3.87Å; E88-F107 HydrophobicContact CB-CE1 4.44Å; E88-F107 HydrophobicContact CB-CE2 3.73Å; E88-F107 HydrophobicContact CB-CG 4.29Å; E88-F107 HydrophobicContact CB-CZ 4Å; E88-F107 HydrophobicContact CG-CE1 4.17Å; E88-F107 HydrophobicContact CG-CE2 4.18Å; E88-F107 HydrophobicContact CG-CZ 3.91Å; L105-F107 HydrophobicContact CD2-CD1 4.06Å; L105-F107 HydrophobicContact CD2-CE1 4.44Å; L105-F107 HydrophobicContact CG-CD1 4.07Å; F107-C109 WeakPolarHBondContact CD2-O 3.33Å; F107-V135 HydrophobicContact CD1-CG1 4.26Å; F107-V135 HydrophobicContact CE1-CG1 3.63Å; F107-Y136 PolarHBondContact N-O 3.45Å; F107-P137 HydrophobicContact CD2-CB 4.41Å; F107-P137 HydrophobicContact CE1-CB 3.82Å; F107-P137 HydrophobicContact CE2-CB 3.57Å; F107-P137 HydrophobicContact CZ-CB 3.25Å; F107-P137 CarbonylContact O-C 3.5Å; F107-D138 PolarHBondContact O-N 2.86Å; F107-V139 PolarHBondContact O-N 3.26Å
108G96.9Very high96.1Very high0 Ų044.5 Ų44.50%021%0.21CC..EExtended strand (participates in β ladder)trans-79.2-57.3-168.900000115.4V85 T86 D138 V139 R141V85-G108 PolarHBondContact O-N 2.87Å; T86-G108 VanDerWaalsContact O-CA 3.24Å; T86-G108 WeakPolarHBondContact O-CA 3.33Å; T86-G108 PolarHBondContact O-N 2.76Å; G108-D138 CarbonylContact O-C 3.59Å; G108-D138 VanDerWaalsContact O-C 3.28Å; G108-D138 WeakPolarHBondContact O-CA 3.46Å; G108-V139 WeakPolarHBondContact CA-O 3.15Å; G108-V139 PolarHBondContact O-N 3.37Å; G108-R141 WeakPolarHBondContact O-CA 3.17Å; G108-R141 WeakPolarHBondContact O-CB 3.48Å; G108-R141 PolarHBondContact O-N 3.5Å
109C96.9Very high96Very high3 Ų346.5 Ų46.52%0.0222%0.224CC..EExtended strand (participates in β ladder)trans-130.5160.2177.4650000111.7T86 S87 E88 F107 R141 A144 I145T86-C109 PolarHBondContact O-N 3.29Å; T86-C109 VanDerWaalsContact O-N 3.15Å; S87-C109 CarbonylContact C-O 3.49Å; E88-C109 PolarHBondContact N-O 3.19Å; F107-C109 WeakPolarHBondContact CD2-O 3.33Å; C109-R141 HydrophobicContact CB-CG 4.36Å; C109-A144 HydrophobicContact CB-CB 3.72Å; C109-I145 HydrophobicContact CB-CG1 3.85Å
110R97.2Very high95.9Very high80 Ų8044.3 Ų44.330%0.30222%0.219SC..  trans-67.8151.7173.9-67.2-66.6173.81706112.4E88 S119 P137 D138E88-R110 WeakPolarHBondContact OE2-CD 3.49Å; R110-S119 WeakPolarHBondContact CB-OG 3.45Å; R110-P137 VanDerWaalsContact CZ-CB 3.49Å; R110-D138 IonicContact CZ-OD2 3.96Å; R110-D138 IonicContact NE-OD2 2.85Å; R110-D138 PolarHBondContact NE-OD2 3.36Å; R110-D138 VanDerWaalsContact NE-OD2 3.17Å; R110-D138 IonicContact NH2-OD2 3.85Å; R110-D138 PolarHBondContact NH2-OD2 2.95Å
111N95.7Very high95.8Very high31 Ų3144.8 Ų44.817%0.16622%0.221CC..  trans-112.791.1176.7-177.6-17.6000109.9E88 R113 F114 G115 S119E88-N111 HydrophobicContact CB-CB 3.77Å; E88-N111 HydrophobicContact CG-CB 4.43Å; E88-N111 WeakPolarHBondContact O-CB 3.41Å; E88-N111 PolarHBondContact O-ND2 3.01Å; E88-N111 PolarHBondContact OE2-N 3.22Å; N111-R113 PolarHBondContact O-N 3.27Å; N111-R113 VanDerWaalsContact O-N 3.17Å; N111-R113 PolarHBondContact OD1-N 2.96Å; N111-F114 PolarHBondContact OD1-N 2.87Å; N111-G115 VanDerWaalsContact O-CA 3.31Å; N111-G115 WeakPolarHBondContact O-CA 3.49Å; N111-G115 PolarHBondContact O-N 3.09Å; N111-S119 WeakPolarHBondContact O-CB 3.15Å
112E90.4Very high95.7Very high163 Ų16342.3 Ų42.376%0.76221%0.211SC*.THydrogen-bonded Turntrans-65.8-19.8-170.7-61.5-177.6172.300114.4V120E112-V120 WeakPolarHBondContact O-CG2 3.39Å
113R90.6Very high95.5Very high187 Ų18742.3 Ų42.371%0.70621%0.212SC*.THydrogen-bonded Turntrans-100.8-31.1-177.1-67.2-173.9-179.1179.51.2113.7N111N111-R113 PolarHBondContact O-N 3.27Å; N111-R113 VanDerWaalsContact O-N 3.17Å; N111-R113 PolarHBondContact OD1-N 2.96Å
114F94.5Very high95.3Very high116 Ų11643.3 Ų43.351%0.50922%0.215SC..THydrogen-bonded Turntrans-136.41.8-170.6-50.2-65.8000114.8C90 M91 N111 G116C90-F114 CarbonylContact C-O 3.57Å; C90-F114 WeakPolarHBondContact CA-O 3.49Å; C90-F114 HydrophobicContact CB-CB 3.91Å; M91-F114 PolarHBondContact N-O 3.49Å; N111-F114 PolarHBondContact OD1-N 2.87Å; F114-G116 PolarHBondContact O-N 3.34Å
115G96.2Very high95.1Very high0 Ų048.3 Ų48.30%024%0.241CC..BIsolated β-bridgetrans-60.2126.9-170.100000114.7N111 V120 I121N111-G115 VanDerWaalsContact O-CA 3.31Å; N111-G115 WeakPolarHBondContact O-CA 3.49Å; N111-G115 PolarHBondContact O-N 3.09Å; G115-V120 WeakPolarHBondContact O-CB 3.16Å; G115-V120 PolarHBondContact O-N 2.89Å; G115-V120 VanDerWaalsContact O-N 3.17Å; G115-I121 PolarHBondContact O-N 3.14Å; G115-I121 VanDerWaalsContact O-N 3.1Å
116G97.1Very high94.8Very high0 Ų052.3 Ų52.30%027%0.265CS..THydrogen-bonded Turntrans-99.20.3-175.200000115.6P89 F114 I121 V123P89-G116 PolarHBondContact O-N 3.34Å; F114-G116 PolarHBondContact O-N 3.34Å; G116-I121 CarbonylContact C-O 3.54Å; G116-I121 WeakPolarHBondContact CA-O 3.22Å; G116-I121 VanDerWaalsContact O-O 3.08Å; G116-V123 WeakPolarHBondContact O-CB 3.19Å; G116-V123 WeakPolarHBondContact O-CG2 3.22Å; G116-V123 PolarHBondContact O-N 3.24Å
117F96.8Very high94.4Very high9 Ų958 Ų584%0.03929%0.29CS..BIsolated β-bridgetrans-117.616.3179.2-80.6-78.7000113.4E88 P89 A94 I97 L105 I121 H122 V133 V135E88-F117 HydrophobicContact CG-CB 4.36Å; E88-F117 VanDerWaalsContact OE1-C 3.31Å; E88-F117 WeakPolarHBondContact OE1-CA 3.32Å; E88-F117 PolarHBondContact OE1-N 3.07Å; P89-F117 HydrophobicContact CB-CD2 4.25Å; P89-F117 HydrophobicContact CB-CE2 4.31Å; P89-F117 HydrophobicContact CG-CD2 4.26Å; P89-F117 HydrophobicContact CG-CE2 4.35Å; A94-F117 HydrophobicContact CB-CD2 3.75Å; A94-F117 HydrophobicContact CB-CE2 3.44Å; A94-F117 VanDerWaalsContact CB-CE2 3.44Å; A94-F117 HydrophobicContact CB-CZ 4.16Å; I97-F117 HydrophobicContact CB-CE2 4.33Å; I97-F117 HydrophobicContact CB-CZ 4.16Å; I97-F117 HydrophobicContact CD1-CE2 3.86Å; I97-F117 HydrophobicContact CD1-CZ 4.47Å; I97-F117 HydrophobicContact CG2-CE2 4.18Å; I97-F117 HydrophobicContact CG2-CZ 3.71Å; L105-F117 HydrophobicContact CD2-CD1 4.22Å; L105-F117 HydrophobicContact CD2-CD2 3.37Å; L105-F117 HydrophobicContact CD2-CE1 4.26Å; L105-F117 HydrophobicContact CD2-CE2 3.4Å; L105-F117 VanDerWaalsContact CD2-CE2 3.4Å; L105-F117 HydrophobicContact CD2-CG 3.8Å; L105-F117 HydrophobicContact CD2-CZ 3.88Å; F117-I121 PolarHBondContact N-O 3.4Å; F117-H122 PolarHBondContact O-ND1 3.26Å; F117-V133 HydrophobicContact CE1-CB 4.48Å; F117-V133 HydrophobicContact CE1-CG1 4.42Å; F117-V135 HydrophobicContact CD1-CG2 3.84Å; F117-V135 HydrophobicContact CE1-CG2 4.14Å
118G93.5Very high94.2Very high45 Ų4560.1 Ų60.146%0.46431%0.312SS..THydrogen-bonded Turntrans143.7-18.9168.600000115.6E88 I121E88-G118 PolarHBondContact OE1-N 2.98Å; E88-G118 VanDerWaalsContact OE1-N 3.07Å; G118-I121 PolarHBondContact N-O 3.17Å; G118-I121 VanDerWaalsContact N-O 3.09Å
119S94Very high94Very high45 Ų4563 Ų6332%0.31532%0.323SS..THydrogen-bonded Turntrans-69.9-41.4-179.4-89.60000113.9E88 R110 N111E88-S119 PolarHBondContact OE1-N 3.4Å; E88-S119 VanDerWaalsContact OE1-N 3.14Å; E88-S119 WeakPolarHBondContact OE2-CB 3.32Å; E88-S119 PolarHBondContact OE2-OG 3Å; R110-S119 WeakPolarHBondContact CB-OG 3.45Å; N111-S119 WeakPolarHBondContact O-CB 3.15Å
120V95.1Very high93.8Very high78 Ų7871.1 Ų71.147%0.47336%0.36SS..SBendtrans-115.2-49175.6179.80000110.2E112 G115E112-V120 WeakPolarHBondContact O-CG2 3.39Å; G115-V120 WeakPolarHBondContact O-CB 3.16Å; G115-V120 PolarHBondContact O-N 2.89Å; G115-V120 VanDerWaalsContact O-N 3.17Å
121I93.9Very high93.6Very high51 Ų5170.2 Ų70.226%0.26236%0.357SS..  trans-143.1156.7180-162.7172.2000109.2M91 G115 G116 F117 G118 V123 V126M91-I121 HydrophobicContact CG-CG2 3.58Å; M91-I121 HydrophobicContact SD-CG2 3.95Å; G115-I121 PolarHBondContact O-N 3.14Å; G115-I121 VanDerWaalsContact O-N 3.1Å; G116-I121 CarbonylContact C-O 3.54Å; G116-I121 WeakPolarHBondContact CA-O 3.22Å; G116-I121 VanDerWaalsContact O-O 3.08Å; F117-I121 PolarHBondContact N-O 3.4Å; G118-I121 PolarHBondContact N-O 3.17Å; G118-I121 VanDerWaalsContact N-O 3.09Å; I121-V123 HydrophobicContact CG2-CG2 3.94Å; I121-V126 HydrophobicContact CD1-CB 4.06Å; I121-V126 HydrophobicContact CD1-CG1 3.95Å; I121-V126 HydrophobicContact CD1-CG2 3.67Å; I121-V126 HydrophobicContact CG1-CB 4.37Å; I121-V126 HydrophobicContact CG1-CG2 3.6Å
122H94.3Very high93.5Very high58 Ų5872.3 Ų72.327%0.26937%0.373SS..BIsolated β-bridgetrans-108.192.9169.7-165.583.3000108.9F117 Q124 N125 V126F117-H122 PolarHBondContact O-ND1 3.26Å; H122-Q124 VanDerWaalsContact C-N 3.26Å; H122-Q124 PolarHBondContact O-N 3Å; H122-N125 VanDerWaalsContact CD2-CG 3.41Å; H122-N125 PolarHBondContact CD2-ND2 3.47Å; H122-N125 VanDerWaalsContact CD2-ND2 3.33Å; H122-N125 PolarHBondContact O-N 3.35Å; H122-N125 VanDerWaalsContact O-N 3.08Å; H122-V126 PolarHBondContact O-N 3.26Å
123V94.6Very high93.8Very high1 Ų165 Ų651%0.00634%0.339CS..Hα-helixtrans-55.1-39.9-169.6166.10000112.5M91 A94 A95 G116 I121 N125 V126 F127 Y129M91-V123 HydrophobicContact CB-CG2 4.36Å; M91-V123 HydrophobicContact CG-CG2 4.47Å; A94-V123 HydrophobicContact CB-CB 4Å; A94-V123 HydrophobicContact CB-CG1 4.4Å; A94-V123 HydrophobicContact CB-CG2 3.85Å; A95-V123 HydrophobicContact CB-CG1 4.04Å; G116-V123 WeakPolarHBondContact O-CB 3.19Å; G116-V123 WeakPolarHBondContact O-CG2 3.22Å; G116-V123 PolarHBondContact O-N 3.24Å; I121-V123 HydrophobicContact CG2-CG2 3.94Å; V123-N125 VanDerWaalsContact C-N 3.26Å; V123-N125 PolarHBondContact O-N 3.17Å; V123-V126 PolarHBondContact O-N 3.47Å; V123-F127 HydrophobicContact CG1-CD2 3.5Å; V123-F127 HydrophobicContact CG1-CE2 3.82Å; V123-F127 HydrophobicContact CG1-CG 4.43Å; V123-F127 PolarHBondContact O-N 2.08Å; V123-Y129 HydrophobicContact CG1-CD2 4.4Å; V123-Y129 HydrophobicContact CG1-CE2 4.09Å
124Q92.5Very high94.1Very high26 Ų2660.6 Ų60.612%0.12133%0.327CS..Hα-helixtrans-54.5-43.6179.1-169.2-176.3-17.600112.1H122 G128 Y129 Y131H122-Q124 VanDerWaalsContact C-N 3.26Å; H122-Q124 PolarHBondContact O-N 3Å; Q124-G128 PolarHBondContact O-N 3.44Å; Q124-Y129 WeakPolarHBondContact CG-O 3.36Å; Q124-Y129 PolarHBondContact O-N 3.49Å; Q124-Y131 PolarHBondContact NE2-O 3.16Å
125N92.7Very high94.2Very high121 Ų12157.2 Ų57.265%0.64732%0.316SS*.Hα-helixtrans-73.3-43.4179.9-67.7-12.7000111.4H122 V123 G128H122-N125 VanDerWaalsContact CD2-CG 3.41Å; H122-N125 PolarHBondContact CD2-ND2 3.47Å; H122-N125 VanDerWaalsContact CD2-ND2 3.33Å; H122-N125 PolarHBondContact O-N 3.35Å; H122-N125 VanDerWaalsContact O-N 3.08Å; V123-N125 VanDerWaalsContact C-N 3.26Å; V123-N125 PolarHBondContact O-N 3.17Å; N125-G128 PolarHBondContact O-N 3.1Å
126V92Very high94.2Very high84 Ų8460.4 Ų60.451%0.50933%0.328SS..Hα-helixtrans-69.7-36.8-173.5174.60000112.2I121 H122 V123I121-V126 HydrophobicContact CD1-CB 4.06Å; I121-V126 HydrophobicContact CD1-CG1 3.95Å; I121-V126 HydrophobicContact CD1-CG2 3.67Å; I121-V126 HydrophobicContact CG1-CB 4.37Å; I121-V126 HydrophobicContact CG1-CG2 3.6Å; H122-V126 PolarHBondContact O-N 3.26Å; V123-V126 PolarHBondContact O-N 3.47Å
127F90.5Very high94.1Very high121 Ų12162.6 Ų62.653%0.53134%0.343SS..THydrogen-bonded Turntrans-95.32.4177.7-61.7-26.1000113.7A95 V123 Y129A95-F127 HydrophobicContact CB-CD2 4.4Å; A95-F127 HydrophobicContact CB-CE2 4.22Å; V123-F127 HydrophobicContact CG1-CD2 3.5Å; V123-F127 HydrophobicContact CG1-CE2 3.82Å; V123-F127 HydrophobicContact CG1-CG 4.43Å; V123-F127 PolarHBondContact O-N 2.08Å; F127-Y129 VanDerWaalsContact C-N 3.32Å; F127-Y129 HydrophobicContact CB-CD2 3.89Å; F127-Y129 HydrophobicContact CB-CE2 3.59Å; F127-Y129 AromaticContact CD2-CE2 3.8Å; F127-Y129 HydrophobicContact CD2-CE2 3.8Å; F127-Y129 HydrophobicContact CG-CE2 4.21Å; F127-Y129 PolarHBondContact O-N 3.39Å
128G92.3Very high94Very high43 Ų4364.8 Ų64.844%0.44335%0.354SS..THydrogen-bonded Turntrans6827.7175.100000114.3Q124 N125 Q130Q124-G128 PolarHBondContact O-N 3.44Å; N125-G128 PolarHBondContact O-N 3.1Å; G128-Q130 PolarHBondContact O-N 2.78Å; G128-Q130 PolarHBondContact O-NE2 3.28Å
129Y93.1Very high94Very high62 Ų6263.4 Ų63.424%0.24334%0.337CS..  trans-69.2126176.9-66.5-56.8000110.7C98 Q99 V123 Q124 F127C98-Y129 HydrophobicContact CB-CD1 4.35Å; C98-Y129 HydrophobicContact CB-CD2 3.21Å; C98-Y129 HydrophobicContact CB-CE2 3.64Å; C98-Y129 HydrophobicContact CB-CG 3.63Å; Q99-Y129 HydrophobicContact CG-CE1 3.68Å; Q99-Y129 WeakPolarHBondContact CG-OH 3.44Å; Q99-Y129 PolarHBondContact NE2-OH 2.92Å; V123-Y129 HydrophobicContact CG1-CD2 4.4Å; V123-Y129 HydrophobicContact CG1-CE2 4.09Å; Q124-Y129 WeakPolarHBondContact CG-O 3.36Å; Q124-Y129 PolarHBondContact O-N 3.49Å; F127-Y129 VanDerWaalsContact C-N 3.32Å; F127-Y129 HydrophobicContact CB-CD2 3.89Å; F127-Y129 HydrophobicContact CB-CE2 3.59Å; F127-Y129 AromaticContact CD2-CE2 3.8Å; F127-Y129 HydrophobicContact CD2-CE2 3.8Å; F127-Y129 HydrophobicContact CG-CE2 4.21Å; F127-Y129 PolarHBondContact O-N 3.39Å
130Q92Very high94Very high172 Ų17264.3 Ų64.380%0.80434%0.343SS*.  trans-85.9-21.6-172.1-59.3-60.1-51.900113.7G128 P132G128-Q130 PolarHBondContact O-N 2.78Å; G128-Q130 PolarHBondContact O-NE2 3.28Å; Q130-P132 WeakPolarHBondContact O-CD 3.39Å
131Y93.4Very high94Very high61 Ų6166.1 Ų66.124%0.23934%0.341CS..SBendtrans-76.1121.8-177-174.6-91.9000110.8T79 K101 V102 Q124 V133T79-Y131 WeakPolarHBondContact CA-OH 3.43Å; T79-Y131 WeakPolarHBondContact CB-OH 3.47Å; T79-Y131 HydrophobicContact CG2-CE2 3.74Å; T79-Y131 PolarHBondContact O-OH 3.07Å; T79-Y131 VanDerWaalsContact O-OH 3.06Å; K101-Y131 HydrophobicContact CB-CD1 3.79Å; K101-Y131 HydrophobicContact CB-CD2 3.99Å; K101-Y131 HydrophobicContact CB-CE1 4.06Å; K101-Y131 HydrophobicContact CB-CE2 4.24Å; K101-Y131 HydrophobicContact CB-CG 3.75Å; K101-Y131 HydrophobicContact CD-CD2 4.09Å; K101-Y131 HydrophobicContact CD-CG 4.28Å; K101-Y131 HydrophobicContact CG-CD1 4.33Å; K101-Y131 HydrophobicContact CG-CD2 4.17Å; K101-Y131 HydrophobicContact CG-CG 3.88Å; K101-Y131 WeakPolarHBondContact O-CE1 3.42Å; V102-Y131 WeakPolarHBondContact O-CE1 3.39Å; Q124-Y131 PolarHBondContact NE2-O 3.16Å; Y131-V133 HydrophobicContact CD1-CG2 4.07Å; Y131-V133 HydrophobicContact CE1-CG2 4.5Å; Y131-V133 PolarHBondContact O-N 2.9Å; Y131-V133 VanDerWaalsContact O-N 3.08Å
132P93.5Very high94.1Very high76 Ų7670 Ų7049%0.49436%0.362SS..  trans-84.981.6-172.535.1-35.4000112.1Q130 Q134Q130-P132 WeakPolarHBondContact O-CD 3.39Å; P132-Q134 PolarHBondContact O-N 3.18Å; P132-Q134 PolarHBondContact O-NE2 3.28Å
133V96.5Very high94.2Very high9 Ų971.9 Ų71.96%0.05537%0.367CS..  trans-54.4122.4173.4-177.90000109.2I97 L105 F117 Y131 V135I97-V133 HydrophobicContact CG2-CG1 4.03Å; I97-V133 HydrophobicContact CG2-CG2 4.25Å; L105-V133 HydrophobicContact CB-CG1 4.05Å; F117-V133 HydrophobicContact CE1-CB 4.48Å; F117-V133 HydrophobicContact CE1-CG1 4.42Å; Y131-V133 HydrophobicContact CD1-CG2 4.07Å; Y131-V133 HydrophobicContact CE1-CG2 4.5Å; Y131-V133 PolarHBondContact O-N 2.9Å; Y131-V133 VanDerWaalsContact O-N 3.08Å; V133-V135 HydrophobicContact CG1-CG2 4.3Å
134Q96.5Very high94.3Very high95 Ų9572 Ų7244%0.44437%0.368SS..EExtended strand (participates in β ladder)trans-76.4130.9175.3-60.9-56.3-60.900109.4G103 T104 L105 P132 Y136G103-Q134 PolarHBondContact O-N 3.01Å; T104-Q134 CarbonylContact C-O 3.5Å; T104-Q134 WeakPolarHBondContact CA-O 3.12Å; T104-Q134 HydrophobicContact CG2-CB 4.13Å; L105-Q134 PolarHBondContact N-O 3.26Å; P132-Q134 PolarHBondContact O-N 3.18Å; P132-Q134 PolarHBondContact O-NE2 3.28Å; Q134-Y136 HydrophobicContact CB-CE2 4.26Å
135V96.6Very high94.4Very high45 Ų4573.3 Ų73.327%0.27338%0.375SS..EExtended strand (participates in β ladder)trans-123.1123.9-173.2-175.70000111.4L105 F107 F117 V133L105-V135 HydrophobicContact CB-CG2 4.45Å; L105-V135 HydrophobicContact CD2-CG1 4.31Å; L105-V135 HydrophobicContact CD2-CG2 4.42Å; L105-V135 CarbonylContact O-C 3.59Å; L105-V135 WeakPolarHBondContact O-CA 3.24Å; F107-V135 HydrophobicContact CD1-CG1 4.26Å; F107-V135 HydrophobicContact CE1-CG1 3.63Å; F117-V135 HydrophobicContact CD1-CG2 3.84Å; F117-V135 HydrophobicContact CE1-CG2 4.14Å; V133-V135 HydrophobicContact CG1-CG2 4.3Å
136Y96.4Very high94.6Very high66 Ų6669.6 Ų69.626%0.25936%0.361SS..EExtended strand (participates in β ladder)trans-115.195.3173.6-63.9-84.4000109.8L3 Y4 T104 L105 I106 F107 Q134L3-Y136 HydrophobicContact CD2-CE1 4.16Å; L3-Y136 HydrophobicContact CD2-CE2 4.09Å; L3-Y136 VanDerWaalsContact CD2-CZ 3.46Å; L3-Y136 WeakPolarHBondContact CD2-OH 3.43Å; Y4-Y136 HydrophobicContact CD1-CD1 4.37Å; Y4-Y136 HydrophobicContact CD1-CG 4.18Å; Y4-Y136 HydrophobicContact CE1-CD1 4.07Å; Y4-Y136 HydrophobicContact CE1-CG 4.15Å; T104-Y136 HydrophobicContact CG2-CD2 3.54Å; T104-Y136 HydrophobicContact CG2-CE2 3.58Å; L105-Y136 PolarHBondContact O-N 2.79Å; I106-Y136 WeakPolarHBondContact CA-O 3.39Å; I106-Y136 HydrophobicContact CG1-CD2 4.24Å; F107-Y136 PolarHBondContact N-O 3.45Å; Q134-Y136 HydrophobicContact CB-CE2 4.26Å
137P95.4Very high94.8Very high47 Ų4765.9 Ų65.931%0.30534%0.338SS..  trans-84.2170-17837.4-38.6000112.2F107 R110 V139F107-P137 HydrophobicContact CD2-CB 4.41Å; F107-P137 HydrophobicContact CE1-CB 3.82Å; F107-P137 HydrophobicContact CE2-CB 3.57Å; F107-P137 HydrophobicContact CZ-CB 3.25Å; F107-P137 CarbonylContact O-C 3.5Å; R110-P137 VanDerWaalsContact CZ-CB 3.49Å; P137-V139 VanDerWaalsContact C-N 3.29Å; P137-V139 PolarHBondContact O-N 2.91Å
138D94.9Very high95Very high54 Ų5461.5 Ų61.529%0.28932%0.321SS..  trans62.727.1164.9-60.7-69.2000114.8F107 G108 R110 R141F107-D138 PolarHBondContact O-N 2.86Å; G108-D138 CarbonylContact O-C 3.59Å; G108-D138 VanDerWaalsContact O-C 3.28Å; G108-D138 WeakPolarHBondContact O-CA 3.46Å; R110-D138 IonicContact CZ-OD2 3.96Å; R110-D138 IonicContact NE-OD2 2.85Å; R110-D138 PolarHBondContact NE-OD2 3.36Å; R110-D138 VanDerWaalsContact NE-OD2 3.17Å; R110-D138 IonicContact NH2-OD2 3.85Å; R110-D138 PolarHBondContact NH2-OD2 2.95Å; D138-R141 HydrophobicContact CB-CB 4.47Å; D138-R141 IonicContact OD1-NE 3.58Å; D138-R141 IonicContact OD1-NH1 3.97Å
139V94.4Very high95Very high16 Ų1664.3 Ų64.310%0.09732%0.322CS..THydrogen-bonded Turntrans-83.9117.8-179.4-173.80000111.1Y4 L9 I106 F107 G108 P137 R141Y4-V139 HydrophobicContact CE2-CG1 3.79Å; Y4-V139 HydrophobicContact CE2-CG2 4.28Å; L9-V139 HydrophobicContact CD2-CB 3.77Å; L9-V139 HydrophobicContact CD2-CG1 3.47Å; L9-V139 VanDerWaalsContact CD2-CG1 3.47Å; L9-V139 VanDerWaalsContact CD2-O 3.3Å; L9-V139 WeakPolarHBondContact CD2-O 3.49Å; I106-V139 HydrophobicContact CG2-CB 4.1Å; I106-V139 HydrophobicContact CG2-CG1 4.46Å; I106-V139 HydrophobicContact CG2-CG2 3.68Å; F107-V139 PolarHBondContact O-N 3.26Å; G108-V139 WeakPolarHBondContact CA-O 3.15Å; G108-V139 PolarHBondContact O-N 3.37Å; P137-V139 VanDerWaalsContact C-N 3.29Å; P137-V139 PolarHBondContact O-N 2.91Å; V139-R141 PolarHBondContact O-N 3.49Å
140C93.4Very high95Very high64 Ų6468 Ų6843%0.43234%0.336SS..THydrogen-bonded Turntrans57.636.3-170.9-56.30000112.6L9 F13 D142 R143 A144L9-C140 HydrophobicContact CD2-CB 4.17Å; F13-C140 HydrophobicContact CE2-CB 3.85Å; F13-C140 HydrophobicContact CZ-CB 4.15Å; C140-D142 VanDerWaalsContact C-N 3.32Å; C140-D142 PolarHBondContact O-N 3.33Å; C140-R143 HydrophobicContact CB-CB 4.39Å; C140-R143 WeakPolarHBondContact O-CB 3.45Å; C140-R143 PolarHBondContact O-N 3Å; C140-A144 PolarHBondContact O-N 3.26Å
141R95Very high95Very high116 Ų11662.5 Ų62.544%0.43831%0.309SS..Hα-helixtrans-46.3-48.6-178.8178179.7175164.1-0.7114.2G108 C109 D138 V139 R143 A144 I145G108-R141 WeakPolarHBondContact O-CA 3.17Å; G108-R141 WeakPolarHBondContact O-CB 3.48Å; G108-R141 PolarHBondContact O-N 3.5Å; C109-R141 HydrophobicContact CB-CG 4.36Å; D138-R141 HydrophobicContact CB-CB 4.47Å; D138-R141 IonicContact OD1-NE 3.58Å; D138-R141 IonicContact OD1-NH1 3.97Å; V139-R141 PolarHBondContact O-N 3.49Å; R141-R143 VanDerWaalsContact C-N 3.27Å; R141-R143 PolarHBondContact O-N 3.35Å; R141-A144 PolarHBondContact O-N 2.92Å; R141-A144 VanDerWaalsContact O-N 3.13Å; R141-I145 HydrophobicContact CG-CD1 3.67Å; R141-I145 HydrophobicContact CG-CG1 4.27Å; R141-I145 WeakPolarHBondContact O-CG1 3.46Å; R141-I145 PolarHBondContact O-N 3.03Å
142D96.1Very high94.7Very high133 Ų13367 Ų6771%0.71133%0.327SS*.Hα-helixtrans-61.9-37.9-177.2-61.6-20000111.7C140 A146C140-D142 VanDerWaalsContact C-N 3.32Å; C140-D142 PolarHBondContact O-N 3.33Å; D142-A146 VanDerWaalsContact O-CB 3.24Å; D142-A146 WeakPolarHBondContact O-CB 3.32Å; D142-A146 PolarHBondContact O-N 3.32Å
143R96.7Very high94.4Very high97 Ų9770.4 Ų70.437%0.36634%0.336SS..Hα-helixtrans-66-41.6176-171.8-180178.8-173.3-0.5111.3F13 E17 C140 R141 L147F13-R143 HydrophobicContact CD1-CG 3.93Å; F13-R143 HydrophobicContact CE1-CB 4.04Å; F13-R143 HydrophobicContact CE1-CG 3.66Å; F13-R143 HydrophobicContact CE2-CB 4.41Å; F13-R143 HydrophobicContact CE2-CG 4.29Å; F13-R143 HydrophobicContact CG-CG 4.37Å; F13-R143 HydrophobicContact CZ-CB 3.84Å; F13-R143 HydrophobicContact CZ-CG 3.86Å; E17-R143 IonicContact OE1-CZ 3.64Å; E17-R143 IonicContact OE1-NH2 2.62Å; E17-R143 PolarHBondContact OE1-NH2 2.92Å; C140-R143 HydrophobicContact CB-CB 4.39Å; C140-R143 WeakPolarHBondContact O-CB 3.45Å; C140-R143 PolarHBondContact O-N 3Å; R141-R143 VanDerWaalsContact C-N 3.27Å; R141-R143 PolarHBondContact O-N 3.35Å; R143-L147 PolarHBondContact O-N 3.27Å; R143-L147 VanDerWaalsContact O-N 3.14Å
144A96.4Very high93.5Very high3 Ų372.1 Ų72.13%0.02536%0.356CS..Hα-helixtrans-67.3-42.8177.800000113F13 T86 C109 C140 R141 L147 L148F13-A144 HydrophobicContact CE1-CB 3.96Å; F13-A144 HydrophobicContact CZ-CB 3.92Å; T86-A144 WeakPolarHBondContact O-CB 3.27Å; C109-A144 HydrophobicContact CB-CB 3.72Å; C140-A144 PolarHBondContact O-N 3.26Å; R141-A144 PolarHBondContact O-N 2.92Å; R141-A144 VanDerWaalsContact O-N 3.13Å; A144-L147 PolarHBondContact O-N 3.35Å; A144-L148 PolarHBondContact O-N 3.17Å
145I95.6Very high92.2Very high55 Ų5575.1 Ų75.128%0.28237%0.37SS..Hα-helixtrans-63.9-46.4175.6-68.5175.9000110.5C109 R141 L147 L148 Q149C109-I145 HydrophobicContact CB-CG1 3.85Å; R141-I145 HydrophobicContact CG-CD1 3.67Å; R141-I145 HydrophobicContact CG-CG1 4.27Å; R141-I145 WeakPolarHBondContact O-CG1 3.46Å; R141-I145 PolarHBondContact O-N 3.03Å; I145-L147 PolarHBondContact O-N 3.45Å; I145-L148 PolarHBondContact O-N 2.9Å; I145-Q149 HydrophobicContact CG2-CG 4.17Å; I145-Q149 WeakPolarHBondContact O-CG 3.24Å; I145-Q149 PolarHBondContact O-N 3.4Å
146A96.3Very high90.9Very high42 Ų4277.3 Ų77.335%0.34738%0.38SS..Hα-helixtrans-58.8-36.4179.100000112.4D142 R150D142-A146 VanDerWaalsContact O-CB 3.24Å; D142-A146 WeakPolarHBondContact O-CB 3.32Å; D142-A146 PolarHBondContact O-N 3.32Å; A146-R150 VanDerWaalsContact O-CG 3.28Å; A146-R150 WeakPolarHBondContact O-CG 3.34Å; A146-R150 PolarHBondContact O-N 2.95Å
147L95Very high89.6Confident6 Ų679.9 Ų79.93%0.03141%0.405CS..Hα-helixtrans-68.7-43.6177.5-156.175.8000112F13 A16 E17 L20 P26 R143 A144 I145 R150 F151F13-L147 HydrophobicContact CD1-CD2 4.43Å; A16-L147 HydrophobicContact CB-CD2 3.36Å; E17-L147 HydrophobicContact CG-CD1 3.82Å; L20-L147 HydrophobicContact CD2-CD1 4.16Å; P26-L147 HydrophobicContact CB-CD2 3.69Å; P26-L147 HydrophobicContact CB-CG 3.78Å; P26-L147 HydrophobicContact CG-CD2 4.4Å; P26-L147 HydrophobicContact CG-CG 4.16Å; P26-L147 WeakPolarHBondContact CG-O 3.31Å; R143-L147 PolarHBondContact O-N 3.27Å; R143-L147 VanDerWaalsContact O-N 3.14Å; A144-L147 PolarHBondContact O-N 3.35Å; I145-L147 PolarHBondContact O-N 3.45Å; L147-R150 PolarHBondContact O-N 3.06Å; L147-F151 PolarHBondContact O-N 2.97Å
148L94.6Very high88.3Confident30 Ų3084 Ų8416%0.15742%0.424CS..Hα-helixtrans-64.3-40.7174.6-72.6169.5000111.8V25 P26 A144 I145 F151 Y152V25-L148 HydrophobicContact CG1-CD2 4.36Å; P26-L148 HydrophobicContact CG-CD2 4.07Å; A144-L148 PolarHBondContact O-N 3.17Å; I145-L148 PolarHBondContact O-N 2.9Å; L148-F151 WeakPolarHBondContact O-CB 3.38Å; L148-F151 PolarHBondContact O-N 3.33Å; L148-F151 VanDerWaalsContact O-N 3.17Å; L148-Y152 HydrophobicContact CB-CE2 4.34Å; L148-Y152 HydrophobicContact CD2-CE2 4.49Å; L148-Y152 WeakPolarHBondContact O-CD2 3.46Å; L148-Y152 PolarHBondContact O-N 3Å
149Q92.8Very high86.9Confident101 Ų10184 Ų8447%0.47243%0.426SS..Hα-helixtrans-58.8-47.8175.6-75.6172.6-29.800111.3I145 F151 Y152 E153I145-Q149 HydrophobicContact CG2-CG 4.17Å; I145-Q149 WeakPolarHBondContact O-CG 3.24Å; I145-Q149 PolarHBondContact O-N 3.4Å; Q149-F151 PolarHBondContact O-N 2.82Å; Q149-Y152 PolarHBondContact O-N 2.78Å; Q149-Y152 VanDerWaalsContact O-N 3.09Å; Q149-E153 WeakPolarHBondContact O-CB 3.31Å; Q149-E153 VanDerWaalsContact O-CG 3.28Å; Q149-E153 WeakPolarHBondContact O-CG 3.19Å; Q149-E153 PolarHBondContact O-N 3.02Å
150R93.3Very high85.9Confident141 Ų14186.9 Ų86.953%0.53245%0.445SS..Hα-helixtrans-56.3-34.2175.5-74167.961-166.3-2.1113.5L20 A146 L147 G154L20-R150 HydrophobicContact CD2-CB 4.24Å; A146-R150 VanDerWaalsContact O-CG 3.28Å; A146-R150 WeakPolarHBondContact O-CG 3.34Å; A146-R150 PolarHBondContact O-N 2.95Å; L147-R150 PolarHBondContact O-N 3.06Å; R150-G154 PolarHBondContact O-N 3.02Å
151F92Very high84.5Confident56 Ų5691.2 Ų91.225%0.24646%0.462CS..Hα-helixtrans-70.8-45.8175.4175.1-99.2000112.2L20 E24 V25 P26 L147 L148 Q149 G154L20-F151 HydrophobicContact CD1-CB 3.83Å; L20-F151 HydrophobicContact CD1-CD2 3.98Å; L20-F151 HydrophobicContact CD1-CG 4.42Å; E24-F151 WeakPolarHBondContact O-CD2 3.44Å; E24-F151 WeakPolarHBondContact O-CE2 3.42Å; V25-F151 HydrophobicContact CB-CZ 4.42Å; V25-F151 HydrophobicContact CG2-CE1 3.97Å; V25-F151 HydrophobicContact CG2-CZ 3.8Å; P26-F151 HydrophobicContact CG-CB 3.73Å; P26-F151 HydrophobicContact CG-CG 4.3Å; L147-F151 PolarHBondContact O-N 2.97Å; L148-F151 WeakPolarHBondContact O-CB 3.38Å; L148-F151 PolarHBondContact O-N 3.33Å; L148-F151 VanDerWaalsContact O-N 3.17Å; Q149-F151 PolarHBondContact O-N 2.82Å; F151-G154 PolarHBondContact O-N 3.12Å
152Y87.3Confident82.7Confident154 Ų15489.2 Ų89.260%0.60448%0.477SS*.Hα-helixtrans-75.7-24-178.9-68.1-62.3000114.1L148 Q149 G154L148-Y152 HydrophobicContact CB-CE2 4.34Å; L148-Y152 HydrophobicContact CD2-CE2 4.49Å; L148-Y152 WeakPolarHBondContact O-CD2 3.46Å; L148-Y152 PolarHBondContact O-N 3Å; Q149-Y152 PolarHBondContact O-N 2.78Å; Q149-Y152 VanDerWaalsContact O-N 3.09Å; Y152-G154 VanDerWaalsContact C-N 3.26Å
153E87.2Confident80.6Confident149 Ų14988.8 Ų88.870%0.69647%0.467SS*.THydrogen-bonded Turntrans-74.9-18.6170.1-72.1169.6-176.800112.2Q149Q149-E153 WeakPolarHBondContact O-CB 3.31Å; Q149-E153 VanDerWaalsContact O-CG 3.28Å; Q149-E153 WeakPolarHBondContact O-CG 3.19Å; Q149-E153 PolarHBondContact O-N 3.02Å
154G78Confident78.4Confident45 Ų4588.8 Ų88.846%0.46447%0.472SS..SBendtrans-66138.4175.100000111.9R150 F151 Y152 N156R150-G154 PolarHBondContact O-N 3.02Å; F151-G154 PolarHBondContact O-N 3.12Å; Y152-G154 VanDerWaalsContact C-N 3.26Å; G154-N156 PolarHBondContact O-N 3.09Å
155E68.5Low76Confident158 Ų15897.5 Ų97.574%0.73852%0.515SS*.  trans-70.7129.5170.2-67179.9179.500109.4P157E155-P157 VanDerWaalsContact O-CD 3.25Å; E155-P157 WeakPolarHBondContact O-CD 3.4Å
156N69Low73.5Confident91 Ų91101.9 Ų101.949%0.48754%0.539SS..  trans-71.4113.4171.8172.83.3000108.2G154 N158 V159G154-N156 PolarHBondContact O-N 3.09Å; N156-N158 PolarHBondContact O-N 3.41Å; N156-N158 WeakPolarHBondContact OD1-CB 3.35Å; N156-N158 PolarHBondContact OD1-N 3.45Å; N156-N158 PolarHBondContact OD1-ND2 3.18Å; N156-N158 VanDerWaalsContact OD1-ND2 3.1Å; N156-V159 HydrophobicContact CB-CG2 3.68Å; N156-V159 WeakPolarHBondContact O-CB 3.13Å; N156-V159 WeakPolarHBondContact O-CG2 3.46Å; N156-V159 PolarHBondContact O-N 3.18Å
157P69.6Low70.8Confident120 Ų120108.5 Ų108.578%0.77956%0.562SS**THydrogen-bonded Turntrans-65.9-14.1-174.528.8-36.4000112.9E155 V159E155-P157 VanDerWaalsContact O-CD 3.25Å; E155-P157 WeakPolarHBondContact O-CD 3.4Å; P157-V159 VanDerWaalsContact C-N 3.34Å
158N68.5Low67.8Low133 Ų133120.2 Ų120.271%0.71161%0.606SS**THydrogen-bonded Turntrans-86.8-4.9177.4-53.2-64.8000112.9N156 P160N156-N158 PolarHBondContact O-N 3.41Å; N156-N158 WeakPolarHBondContact OD1-CB 3.35Å; N156-N158 PolarHBondContact OD1-N 3.45Å; N156-N158 PolarHBondContact OD1-ND2 3.18Å; N156-N158 VanDerWaalsContact OD1-ND2 3.1Å; N158-P160 VanDerWaalsContact O-CD 3.28Å; N158-P160 WeakPolarHBondContact O-CD 3.1Å
159V65Low64.9Low53 Ų53127.5 Ų127.532%0.32164%0.639SS.*SBendtrans-70.8120.1174.9175.60000107.7N156 P157 I161N156-V159 HydrophobicContact CB-CG2 3.68Å; N156-V159 WeakPolarHBondContact O-CB 3.13Å; N156-V159 WeakPolarHBondContact O-CG2 3.46Å; N156-V159 PolarHBondContact O-N 3.18Å; P157-V159 VanDerWaalsContact C-N 3.34Å; V159-I161 PolarHBondContact O-N 3.14Å
160P72.8Confident62.4Low77 Ų77131.7 Ų131.750%0.566%0.659SS.*  trans-54142.6175.2-23.430.8000110.6N158 G162 Y163N158-P160 VanDerWaalsContact O-CD 3.28Å; N158-P160 WeakPolarHBondContact O-CD 3.1Å; P160-G162 PolarHBondContact O-N 3.38Å; P160-Y163 HydrophobicContact CB-CD2 3.67Å; P160-Y163 HydrophobicContact CB-CE2 4.11Å; P160-Y163 HydrophobicContact CG-CD2 3.64Å; P160-Y163 HydrophobicContact CG-CE2 4Å; P160-Y163 PolarHBondContact O-N 3.27Å
161I64.6Low59.7Low156 Ų156134.1 Ų134.180%0.868%0.676SS**THydrogen-bonded Turntrans-55-19.9-171.9-63.6169.9000112.9V159V159-I161 PolarHBondContact O-N 3.14Å
162G58.4Low57.1Low73 Ų73134.4 Ų134.475%0.75368%0.684SS**THydrogen-bonded Turntrans-87.5-4.3175.200000116.7P160P160-G162 PolarHBondContact O-N 3.38Å
163Y51.6Low54.9Low124 Ų124133.6 Ų133.649%0.48669%0.694SS.*  trans-109.88.8-179.1-67.1-56.9000114P160 M165 P172P160-Y163 HydrophobicContact CB-CD2 3.67Å; P160-Y163 HydrophobicContact CB-CE2 4.11Å; P160-Y163 HydrophobicContact CG-CD2 3.64Å; P160-Y163 HydrophobicContact CG-CE2 4Å; P160-Y163 PolarHBondContact O-N 3.27Å; Y163-M165 PolarHBondContact O-N 3.14Å; Y163-P172 HydrophobicContact CD1-CB 4.14Å; Y163-P172 HydrophobicContact CD1-CG 3.62Å; Y163-P172 HydrophobicContact CE1-CB 3.15Å; Y163-P172 HydrophobicContact CE1-CG 3.13Å; Y163-P172 HydrophobicContact CE2-CB 4.25Å; Y163-P172 HydrophobicContact CE2-CG 4.4Å; Y163-P172 HydrophobicContact CG-CG 4.48Å; Y163-P172 WeakPolarHBondContact OH-CB 3.43Å
164M50.8Low53Low97 Ų97134.2 Ų134.248%0.47870%0.702SS.*SBendtrans-59.6124.8168.2-63.9-162-168.600108.1N166M164-N166 PolarHBondContact O-N 3.16Å
165M45.7Very low51.4Low187 Ų187140.7 Ų140.792%0.92172%0.72SS**  trans-66.776.4-173.4-70.5-160.573.500112.1Y163Y163-M165 PolarHBondContact O-N 3.14Å
166N41.9Very low50.2Low147 Ų147138.5 Ų138.579%0.78672%0.722SS**  trans-89.4112.3152.8-72.9-22.2000106.5M164M164-N166 PolarHBondContact O-N 3.16Å
167E40.3Very low49.1Very low181 Ų181138.7 Ų138.785%0.84673%0.727SS**SBendtrans33.595.7159.1-58.1-173153.500117.8E169E167-E169 PolarHBondContact O-N 3.19Å; E167-E169 VanDerWaalsContact O-N 3.16Å
168R32.9Very low47.9Very low251 Ų251137.5 Ų137.595%0.94772%0.719SS**  trans30.968.4151.3-62.5-176-174.5-172.62.2117.3
169E33.3Very low46.8Very low183 Ų183137.1 Ų137.186%0.85571%0.712SS**  trans-136.3120160-69.3-170.4161.800110.9E167E167-E169 PolarHBondContact O-N 3.19Å; E167-E169 VanDerWaalsContact O-N 3.16Å
170E40.6Very low45.9Very low189 Ų189143 Ų14388%0.88373%0.734SS**  trans44.6119.3166.7-62.4-175.7161.900120.7P172E170-P172 WeakPolarHBondContact O-CD 3.31Å
171E35.5Very low44.6Very low192 Ų192142 Ų14290%0.89773%0.729SS**  trans-55.5124.2172.4-94.5-172.2162.600111.8
172P37.5Very low43.5Very low62 Ų62139 Ų13940%0.40372%0.717SS.*  trans-79135165.534-37.7000112.2Y163 E170 L174Y163-P172 HydrophobicContact CD1-CB 4.14Å; Y163-P172 HydrophobicContact CD1-CG 3.62Å; Y163-P172 HydrophobicContact CE1-CB 3.15Å; Y163-P172 HydrophobicContact CE1-CG 3.13Å; Y163-P172 HydrophobicContact CE2-CB 4.25Å; Y163-P172 HydrophobicContact CE2-CG 4.4Å; Y163-P172 HydrophobicContact CG-CG 4.48Å; Y163-P172 WeakPolarHBondContact OH-CB 3.43Å; E170-P172 WeakPolarHBondContact O-CD 3.31Å; P172-L174 PolarHBondContact O-N 3.08Å
173V41.5Very low42.6Very low137 Ų137141 Ų14183%0.8371%0.71SS**  trans-69.7109.2167.9-178.80000108.3E175V173-E175 PolarHBondContact O-N 3.48Å; V173-E175 VanDerWaalsContact O-N 3.12Å
174L46.2Very low42.1Very low163 Ų163140.3 Ų140.385%0.85371%0.714SS**  trans-59.4110.8168.4-106.7144.8000109.1P172 S176P172-L174 PolarHBondContact O-N 3.08Å; L174-S176 PolarHBondContact O-N 2.92Å
175E45.1Very low41.5Very low180 Ų180137.6 Ų137.684%0.84171%0.705SS**PPolyproline II helixtrans-59.2130.2167.6-80.9-176.2157.800109.3V173 V177V173-E175 PolarHBondContact O-N 3.48Å; V173-E175 VanDerWaalsContact O-N 3.12Å; E175-V177 PolarHBondContact O-N 2.89Å
176S44Very low41.3Very low112 Ų112131.7 Ų131.778%0.78368%0.679SS**PPolyproline II helixtrans-59.3126.2-179.355.70000111L174L174-S176 PolarHBondContact O-N 2.92Å
177V46.4Very low41.4Very low96 Ų96127.6 Ų127.658%0.58266%0.662SS**PPolyproline II helixtrans-57.7130.2169.6-175.70000109E175 E179 S181E175-V177 PolarHBondContact O-N 2.89Å; V177-E179 PolarHBondContact O-N 3.1Å; V177-S181 WeakPolarHBondContact CG1-OG 3.26Å
178P43Very low41.6Very low95 Ų95125 Ų12562%0.61765%0.65SS**PPolyproline II helixtrans-57.3126.9178.1-22.530.9000111.5K180 S181P178-K180 PolarHBondContact O-N 3.44Å; P178-S181 PolarHBondContact O-N 2.89Å; P178-S181 PolarHBondContact O-OG 3Å
179E46.7Very low42.1Very low124 Ų124116 Ų11658%0.57962%0.619SS**Hα-helixtrans-50.6-27.7-177.5-80.5-171.5144.300113.6V177 S181 V182 L183 K282V177-E179 PolarHBondContact O-N 3.1Å; E179-S181 PolarHBondContact O-N 3.42Å; E179-V182 PolarHBondContact O-N 3.17Å; E179-L183 PolarHBondContact O-N 3.07Å; E179-K282 IonicContact OE1-NZ 2.8Å; E179-K282 PolarHBondContact OE1-NZ 3.03Å; E179-K282 IonicContact OE2-NZ 2.71Å; E179-K282 PolarHBondContact OE2-NZ 3.06Å
180K46.2Very low42.7Very low176 Ų176113.7 Ų113.777%0.76561%0.608SS**Hα-helixtrans-60.2-31.2178.2-69.6-173.3177.5-177.30113.2P178 L184P178-K180 PolarHBondContact O-N 3.44Å; K180-L184 WeakPolarHBondContact O-CD1 3.37Å; K180-L184 PolarHBondContact O-N 3.17Å
181S43.6Very low43Very low57 Ų57108.3 Ų108.340%0.39959%0.586SS.*Hα-helixtrans-74.6-33.3178.364.40000112.8V177 P178 E179V177-S181 WeakPolarHBondContact CG1-OG 3.26Å; P178-S181 PolarHBondContact O-N 2.89Å; P178-S181 PolarHBondContact O-OG 3Å; E179-S181 PolarHBondContact O-N 3.42Å
182V42.4Very low43.7Very low92 Ų92104.4 Ų104.456%0.55858%0.58SS**Hα-helixtrans-71.1-36.9178.8-176.50000111E179 C185E179-V182 PolarHBondContact O-N 3.17Å; V182-C185 WeakPolarHBondContact O-CB 3.31Å; V182-C185 PolarHBondContact O-N 2.63Å
183L39.5Very low44.2Very low115 Ų115108.6 Ų108.660%0.60259%0.593SS**Hα-helixtrans-71.5-29.1177.2-85.8152.3000113.9E179 C185 T186 S187E179-L183 PolarHBondContact O-N 3.07Å; L183-C185 VanDerWaalsContact C-N 3.34Å; L183-T186 PolarHBondContact O-OG1 3.1Å; L183-S187 PolarHBondContact O-N 3.3Å
184L41.3Very low44.7Very low110 Ų110104.4 Ų104.458%0.57657%0.565SS**Hα-helixtrans-66.2-39.4173.6-86.6153000111.2K180 T186 S187 E188K180-L184 WeakPolarHBondContact O-CD1 3.37Å; K180-L184 PolarHBondContact O-N 3.17Å; L184-T186 VanDerWaalsContact C-N 3.34Å; L184-T186 PolarHBondContact O-N 3.4Å; L184-S187 PolarHBondContact O-N 2.94Å; L184-S187 VanDerWaalsContact O-N 3.11Å; L184-S187 PolarHBondContact O-OG 2.7Å; L184-E188 PolarHBondContact O-N 3.43Å
185C38.8Very low44.7Very low41 Ų4199.4 Ų99.428%0.27755%0.553SS.*Hα-helixtrans-61.3-39.7179-166.80000112.4K49 V182 L183 S187 E188 M189K49-C185 PolarHBondContact O-SG 3.24Å; V182-C185 WeakPolarHBondContact O-CB 3.31Å; V182-C185 PolarHBondContact O-N 2.63Å; L183-C185 VanDerWaalsContact C-N 3.34Å; C185-S187 VanDerWaalsContact C-N 3.29Å; C185-S187 PolarHBondContact O-N 3.42Å; C185-E188 PolarHBondContact O-N 3.42Å; C185-M189 WeakPolarHBondContact O-CG 3.43Å; C185-M189 PolarHBondContact O-N 3.11Å
186T40.8Very low45Very low63 Ų6398.9 Ų98.939%0.38755%0.552SS.*Hα-helixtrans-70.7-26.6177.261.50000112.6L183 L184 H190L183-T186 PolarHBondContact O-OG1 3.1Å; L184-T186 VanDerWaalsContact C-N 3.34Å; L184-T186 PolarHBondContact O-N 3.4Å; T186-H190 PolarHBondContact O-CE1 3.4Å; T186-H190 PolarHBondContact O-ND1 3.47Å; T186-H190 VanDerWaalsContact O-ND1 3.17Å
187S44.1Very low45.2Very low61 Ų6197.1 Ų97.143%0.42753%0.533SS..Hα-helixtrans-71.9-36.3177.673.90000113L183 L184 C185 M189 H190L183-S187 PolarHBondContact O-N 3.3Å; L184-S187 PolarHBondContact O-N 2.94Å; L184-S187 VanDerWaalsContact O-N 3.11Å; L184-S187 PolarHBondContact O-OG 2.7Å; C185-S187 VanDerWaalsContact C-N 3.29Å; C185-S187 PolarHBondContact O-N 3.42Å; S187-M189 VanDerWaalsContact C-N 3.3Å; S187-M189 PolarHBondContact O-N 3.49Å; S187-H190 WeakPolarHBondContact CA-ND1 3.49Å; S187-H190 PolarHBondContact O-N 3.44Å; S187-H190 PolarHBondContact O-ND1 3.32Å
188E43.7Very low45.1Very low125 Ų125101.8 Ų101.858%0.58454%0.541SS*.Hα-helixtrans-73.4-18.8176.3-68.1-17616000112.9L184 C185 H190L184-E188 PolarHBondContact O-N 3.43Å; C185-E188 PolarHBondContact O-N 3.42Å; E188-H190 PolarHBondContact O-N 3.29Å
189M43.7Very low45.3Very low62 Ų62101 Ų10131%0.30554%0.535SS..THydrogen-bonded Turntrans-72.4-4.4172.9-67.4177.5-175.700113.9C185 S187 D191 P199C185-M189 WeakPolarHBondContact O-CG 3.43Å; C185-M189 PolarHBondContact O-N 3.11Å; S187-M189 VanDerWaalsContact C-N 3.3Å; S187-M189 PolarHBondContact O-N 3.49Å; M189-D191 PolarHBondContact O-N 3.09Å; M189-P199 HydrophobicContact SD-CG 4.4Å
190H46.8Very low45.4Very low135 Ų135100.1 Ų100.163%0.62554%0.54SS*.  trans-86.935.5177.6-58.5111.2000113.3T186 S187 E188 S192T186-H190 PolarHBondContact O-CE1 3.4Å; T186-H190 PolarHBondContact O-ND1 3.47Å; T186-H190 VanDerWaalsContact O-ND1 3.17Å; S187-H190 WeakPolarHBondContact CA-ND1 3.49Å; S187-H190 PolarHBondContact O-N 3.44Å; S187-H190 PolarHBondContact O-ND1 3.32Å; E188-H190 PolarHBondContact O-N 3.29Å; H190-S192 PolarHBondContact O-N 3.09Å
191D46.8Very low45.7Very low76 Ų7694.7 Ų94.741%0.40652%0.524SS..  trans-62.9120.3165-170.5-15000108.7M189 H193 H194M189-D191 PolarHBondContact O-N 3.09Å; D191-H193 PolarHBondContact O-N 2.8Å; D191-H193 WeakPolarHBondContact OD1-CB 3.41Å; D191-H193 IonicContact OD1-CD2 3.08Å; D191-H193 PolarHBondContact OD1-CD2 2.79Å; D191-H193 IonicContact OD1-CG 3.53Å; D191-H193 PolarHBondContact OD1-N 3.21Å; D191-H193 IonicContact OD2-CD2 3.95Å; D191-H194 PolarHBondContact O-N 3.08Å; D191-H194 VanDerWaalsContact O-N 3.08Å; D191-H194 IonicContact OD2-ND1 3.19Å
192S49Very low46.3Very low111 Ų11196.7 Ų96.778%0.77654%0.536SS*.THydrogen-bonded Turntrans-56.9-14.8176.243.20000113.7H190H190-S192 PolarHBondContact O-N 3.09Å
193H49.8Very low47.7Very low149 Ų14994.9 Ų94.969%0.6952%0.523SS*.THydrogen-bonded Turntrans-80-12.4177-65.2-61.1000114.4D191D191-H193 PolarHBondContact O-N 2.8Å; D191-H193 WeakPolarHBondContact OD1-CB 3.41Å; D191-H193 IonicContact OD1-CD2 3.08Å; D191-H193 PolarHBondContact OD1-CD2 2.79Å; D191-H193 IonicContact OD1-CG 3.53Å; D191-H193 PolarHBondContact OD1-N 3.21Å; D191-H193 IonicContact OD2-CD2 3.95Å
194H50.2Low49.5Very low50 Ų5090.4 Ų90.423%0.23150%0.5CS..  trans-109.157.7-176.7-67.475.3000112.2R53 D61 D191 M196R53-H194 PolarHBondContact NH1-NE2 3.19Å; R53-H194 VanDerWaalsContact NH1-NE2 3.19Å; D61-H194 IonicContact OD2-CD2 3.4Å; D61-H194 IonicContact OD2-CE1 3.72Å; D61-H194 IonicContact OD2-NE2 3.9Å; D61-H194 PolarHBondContact OD2-NE2 2.95Å; D191-H194 PolarHBondContact O-N 3.08Å; D191-H194 VanDerWaalsContact O-N 3.08Å; D191-H194 IonicContact OD2-ND1 3.19Å; H194-M196 VanDerWaalsContact C-N 3.29Å; H194-M196 PolarHBondContact O-N 3.45Å
195G47Very low51.5Low58 Ų5886 Ų8660%0.59848%0.478SS*.  trans-69.5-14.9-175.900000116.2
196M51.1Low53.7Low168 Ų16888.7 Ų88.783%0.82848%0.482SS*.SBendtrans-101.2-20.4-162.2-71.1-98.4-78.500115.7H194H194-M196 VanDerWaalsContact C-N 3.29Å; H194-M196 PolarHBondContact O-N 3.45Å
197I47.5Very low55.4Low76 Ų7697.1 Ų97.139%0.3951%0.506SS..  trans-144.898.5-177-56.7175000110.3M57M57-I197 HydrophobicContact CE-CD1 3.42Å; M57-I197 VanDerWaalsContact CE-CD1 3.42Å; M57-I197 HydrophobicContact SD-CD1 4.42Å
198R45.9Very low57.1Low194 Ų19498.4 Ų98.473%0.73251%0.506SS*.PPolyproline II helixtrans-103.7127173.8-63.1-178.9-178.1-172.1-1109
199P46.4Very low59.1Low78 Ų7893.1 Ų93.151%0.50648%0.48SS..PPolyproline II helixtrans-58.7140.5169.222.9-29.3000109.5M189 S201M189-P199 HydrophobicContact SD-CG 4.4Å; P199-S201 PolarHBondContact O-N 2.82Å
200P48.8Very low61Low105 Ų10599.2 Ų99.268%0.68250%0.5SS*.PPolyproline II helixtrans-60.9135.9179.522.5-29.8000109.9
201S52.4Low62.7Low62 Ų6299.1 Ų99.143%0.43450%0.5SS..PPolyproline II helixtrans-59.6141177.9179.70000109.8P199 L203P199-S201 PolarHBondContact O-N 2.82Å; S201-L203 PolarHBondContact O-N 3.44Å; S201-L203 VanDerWaalsContact O-N 3.1Å; S201-L203 WeakPolarHBondContact OG-CB 3.31Å; S201-L203 PolarHBondContact OG-N 2.79Å
202P56.4Low64.6Low100 Ų10098.4 Ų98.465%0.64950%0.501SS*.SBendtrans-62.2-15.2170.226.3-33.1000112.2
203L71.4Confident66.4Low53 Ų5394 Ų9428%0.27747%0.468SS..SBendtrans-87.1108.6176.5-57.5171.1000109.4S201 T205 F251 I276S201-L203 PolarHBondContact O-N 3.44Å; S201-L203 VanDerWaalsContact O-N 3.1Å; S201-L203 WeakPolarHBondContact OG-CB 3.31Å; S201-L203 PolarHBondContact OG-N 2.79Å; L203-T205 PolarHBondContact O-N 3.46Å; L203-T205 VanDerWaalsContact O-N 3.11Å; L203-F251 HydrophobicContact CB-CE1 3.95Å; L203-F251 HydrophobicContact CB-CZ 4.27Å; L203-F251 HydrophobicContact CD1-CD1 4.22Å; L203-F251 HydrophobicContact CD1-CD2 4.08Å; L203-F251 HydrophobicContact CD1-CE1 3.73Å; L203-F251 HydrophobicContact CD1-CE2 3.56Å; L203-F251 HydrophobicContact CD1-CG 4.39Å; L203-F251 HydrophobicContact CD1-CZ 3.38Å; L203-F251 HydrophobicContact CD2-CD1 4.24Å; L203-F251 HydrophobicContact CD2-CE1 4.33Å; L203-F251 HydrophobicContact CG-CE1 4.21Å; L203-F251 HydrophobicContact CG-CZ 4.32Å; L203-I276 HydrophobicContact CD2-CD1 4.31Å
204I77.3Confident68Low22 Ų2288.1 Ų88.111%0.11344%0.444CS..  trans-71.2105.1-175.7-169.5167000111.6E208 R209 P277 Q284I204-E208 HydrophobicContact CG1-CB 4Å; I204-R209 HydrophobicContact CD1-CB 4.17Å; I204-R209 HydrophobicContact CD1-CG 4.29Å; I204-R209 HydrophobicContact CG1-CB 4.02Å; I204-R209 HydrophobicContact CG1-CG 4.49Å; I204-R209 PolarHBondContact O-NH2 2.74Å; I204-P277 HydrophobicContact CB-CG 4.34Å; I204-P277 HydrophobicContact CD1-CG 4.17Å; I204-P277 HydrophobicContact CG2-CG 4.14Å; I204-Q284 PolarHBondContact O-NE2 2.82Å; I204-Q284 PolarHBondContact O-OE1 2.74Å
205T83.5Confident69.9Low18 Ų1890.8 Ų90.811%0.1146%0.456CS..  trans-70.3166177.367.10000111.2L203 R207 E208 R209 H253L203-T205 PolarHBondContact O-N 3.46Å; L203-T205 VanDerWaalsContact O-N 3.11Å; T205-R207 PolarHBondContact O-N 2.95Å; T205-R207 VanDerWaalsContact O-N 3.1Å; T205-E208 WeakPolarHBondContact CB-OE2 3.37Å; T205-E208 WeakPolarHBondContact CG2-OE2 3.41Å; T205-E208 PolarHBondContact N-OE2 3.26Å; T205-E208 PolarHBondContact O-N 2.93Å; T205-E208 VanDerWaalsContact O-N 3.08Å; T205-E208 PolarHBondContact OG1-OE2 2.91Å; T205-R209 WeakPolarHBondContact O-CB 3.48Å; T205-R209 PolarHBondContact O-N 3.4Å; T205-H253 WeakPolarHBondContact CG2-CE1 3.46Å
206R84.4Confident71.9Confident97 Ų9795.3 Ų95.337%0.36646%0.455SS..THydrogen-bonded Turntrans-53.9-31.6175.7-169.7176.3-165.316714.3113.2S255 E258R206-S255 WeakPolarHBondContact CB-OG 3.34Å; R206-S255 WeakPolarHBondContact CD-O 3.48Å; R206-S255 PolarHBondContact N-OG 2.79Å; R206-E258 IonicContact CZ-OE1 3.04Å; R206-E258 IonicContact CZ-OE2 3.39Å; R206-E258 VanDerWaalsContact NH1-CD 3.27Å; R206-E258 IonicContact NH1-OE1 3.53Å; R206-E258 PolarHBondContact NH1-OE1 2.84Å; R206-E258 IonicContact NH1-OE2 2.79Å; R206-E258 PolarHBondContact NH1-OE2 3.16Å; R206-E258 VanDerWaalsContact NH1-OE2 3.1Å; R206-E258 IonicContact NH2-OE1 3.09Å; R206-E258 PolarHBondContact NH2-OE1 3.46Å; R206-E258 IonicContact NH2-OE2 3.06Å
207R78.3Confident73.7Confident239 Ų23987.5 Ų87.590%0.90242%0.418SS*.THydrogen-bonded Turntrans-76.2-30.4-179.7-67.6-174.8179.1-164.50.1113.3T205T205-R207 PolarHBondContact O-N 2.95Å; T205-R207 VanDerWaalsContact O-N 3.1Å
208E79.1Confident75.8Confident89 Ų8986 Ų8642%0.41642%0.417SS..THydrogen-bonded Turntrans-94.8-17-177.5-64.5159.4142.700112.1I204 T205 R210I204-E208 HydrophobicContact CG1-CB 4Å; T205-E208 WeakPolarHBondContact CB-OE2 3.37Å; T205-E208 WeakPolarHBondContact CG2-OE2 3.41Å; T205-E208 PolarHBondContact N-OE2 3.26Å; T205-E208 PolarHBondContact O-N 2.93Å; T205-E208 VanDerWaalsContact O-N 3.08Å; T205-E208 PolarHBondContact OG1-OE2 2.91Å; E208-R210 PolarHBondContact O-N 3.4Å
209R84.9Confident77.9Confident13 Ų1381.6 Ų81.65%0.04942%0.415CS..SBendtrans-64.8126179.2-162.7177.1-56.2133.79.9111.3I204 T205 L213 S214 D256 V286I204-R209 HydrophobicContact CD1-CB 4.17Å; I204-R209 HydrophobicContact CD1-CG 4.29Å; I204-R209 HydrophobicContact CG1-CB 4.02Å; I204-R209 HydrophobicContact CG1-CG 4.49Å; I204-R209 PolarHBondContact O-NH2 2.74Å; T205-R209 WeakPolarHBondContact O-CB 3.48Å; T205-R209 PolarHBondContact O-N 3.4Å; R209-L213 HydrophobicContact CG-CB 3.61Å; R209-S214 WeakPolarHBondContact CD-OG 3.44Å; R209-D256 IonicContact CZ-OD1 3.79Å; R209-D256 IonicContact CZ-OD2 3.09Å; R209-D256 IonicContact NH1-OD1 2.85Å; R209-D256 PolarHBondContact NH1-OD1 3.29Å; R209-D256 IonicContact NH1-OD2 2.81Å; R209-D256 VanDerWaalsContact NH2-CG 3.3Å; R209-D256 IonicContact NH2-OD1 2.61Å; R209-D256 PolarHBondContact NH2-OD1 3.33Å; R209-D256 IonicContact NH2-OD2 2.66Å; R209-D256 PolarHBondContact NH2-OD2 2.82Å; R209-V286 VanDerWaalsContact NH1-CG1 3.33Å; R209-V286 VanDerWaalsContact NH2-CG1 3.29Å
210R84.3Confident80Confident190 Ų19078.9 Ų78.972%0.71740%0.402SS*.  trans-57.3142.2172.4-62.8-175.6179178.80.2109.8E208 S212 L213 S214E208-R210 PolarHBondContact O-N 3.4Å; R210-S212 PolarHBondContact O-N 2.84Å; R210-S212 VanDerWaalsContact O-N 3.15Å; R210-L213 HydrophobicContact CB-CD1 4.18Å; R210-L213 HydrophobicContact CG-CD1 4.49Å; R210-L213 WeakPolarHBondContact O-CA 3.28Å; R210-L213 WeakPolarHBondContact O-CB 3.09Å; R210-L213 PolarHBondContact O-N 3.19Å; R210-S214 PolarHBondContact O-N 2.86Å; R210-S214 VanDerWaalsContact O-N 3.13Å
211H83.1Confident82.2Confident134 Ų13478.3 Ų78.362%0.6240%0.398SS*.Hα-helixtrans-49-45.4179.2-168.8-92.6000113.1L213 S214 E215H211-L213 VanDerWaalsContact C-N 3.31Å; H211-L213 PolarHBondContact O-N 3.06Å; H211-S214 WeakPolarHBondContact O-CB 3.41Å; H211-S214 PolarHBondContact O-N 2.76Å; H211-S214 VanDerWaalsContact O-N 3.13Å; H211-E215 IonicContact CE1-OE1 3.56Å; H211-E215 PolarHBondContact CE1-OE1 3.18Å; H211-E215 IonicContact CE1-OE2 2.83Å; H211-E215 PolarHBondContact CE1-OE2 3.17Å; H211-E215 IonicContact ND1-OE1 2.95Å; H211-E215 IonicContact ND1-OE2 3.49Å; H211-E215 PolarHBondContact ND1-OE2 3.49Å; H211-E215 VanDerWaalsContact ND1-OE2 3.09Å; H211-E215 PolarHBondContact O-N 2.79Å
212S86Confident84.2Confident61 Ų6178.5 Ų78.543%0.42740%0.399SS..Hα-helixtrans-65-29178.8590000114.2R210 R216R210-S212 PolarHBondContact O-N 2.84Å; R210-S212 VanDerWaalsContact O-N 3.15Å; S212-R216 WeakPolarHBondContact O-CB 3.46Å; S212-R216 WeakPolarHBondContact O-CG 3.08Å; S212-R216 PolarHBondContact O-N 2.85Å; S212-R216 VanDerWaalsContact O-N 3.15Å; S212-R216 PolarHBondContact O-NE 3.26Å
213L86Confident86.1Confident18 Ų1876.1 Ų76.19%0.09438%0.38CS..Hα-helixtrans-71.3-44.3172-87.2152.1000110.4R209 R210 H211 R216 A217R209-L213 HydrophobicContact CG-CB 3.61Å; R210-L213 HydrophobicContact CB-CD1 4.18Å; R210-L213 HydrophobicContact CG-CD1 4.49Å; R210-L213 WeakPolarHBondContact O-CA 3.28Å; R210-L213 WeakPolarHBondContact O-CB 3.09Å; R210-L213 PolarHBondContact O-N 3.19Å; H211-L213 VanDerWaalsContact C-N 3.31Å; H211-L213 PolarHBondContact O-N 3.06Å; L213-R216 PolarHBondContact O-N 3.42Å; L213-A217 WeakPolarHBondContact O-CB 3.42Å; L213-A217 PolarHBondContact O-N 3.06Å
214S84.8Confident87.3Confident25 Ų2578.3 Ų78.318%0.17539%0.388CS..Hα-helixtrans-62.3-43.9176.8-59.90000112.4R209 R210 H211 A217 A218R209-S214 WeakPolarHBondContact CD-OG 3.44Å; R210-S214 PolarHBondContact O-N 2.86Å; R210-S214 VanDerWaalsContact O-N 3.13Å; H211-S214 WeakPolarHBondContact O-CB 3.41Å; H211-S214 PolarHBondContact O-N 2.76Å; H211-S214 VanDerWaalsContact O-N 3.13Å; S214-A217 PolarHBondContact O-N 3.39Å; S214-A218 WeakPolarHBondContact O-CB 3.35Å; S214-A218 PolarHBondContact O-N 2.72Å
215E88.7Confident88.2Confident107 Ų10777.3 Ų77.350%0.538%0.383SS..Hα-helixtrans-65.2-44.2176.8-76.2-178.6136.300112.4H211 A217 A218 S219H211-E215 IonicContact CE1-OE1 3.56Å; H211-E215 PolarHBondContact CE1-OE1 3.18Å; H211-E215 IonicContact CE1-OE2 2.83Å; H211-E215 PolarHBondContact CE1-OE2 3.17Å; H211-E215 IonicContact ND1-OE1 2.95Å; H211-E215 IonicContact ND1-OE2 3.49Å; H211-E215 PolarHBondContact ND1-OE2 3.49Å; H211-E215 VanDerWaalsContact ND1-OE2 3.09Å; H211-E215 PolarHBondContact O-N 2.79Å; E215-A217 VanDerWaalsContact C-N 3.34Å; E215-A217 PolarHBondContact O-N 3.03Å; E215-A218 CarbonylContact O-C 3.57Å; E215-A218 WeakPolarHBondContact O-CB 3.35Å; E215-A218 PolarHBondContact O-N 3.19Å; E215-A218 VanDerWaalsContact O-N 3.16Å; E215-S219 PolarHBondContact O-N 3.1Å; E215-S219 PolarHBondContact O-OG 2.94Å
216R89.7Confident88.8Confident152 Ų15280.5 Ų80.557%0.57440%0.397SS*.Hα-helixtrans-60.4-45.9176.2-76.7-176.7-55.7-172.69.8111.3S212 L213 A218 S219 G220S212-R216 WeakPolarHBondContact O-CB 3.46Å; S212-R216 WeakPolarHBondContact O-CG 3.08Å; S212-R216 PolarHBondContact O-N 2.85Å; S212-R216 VanDerWaalsContact O-N 3.15Å; S212-R216 PolarHBondContact O-NE 3.26Å; L213-R216 PolarHBondContact O-N 3.42Å; R216-A218 VanDerWaalsContact C-N 3.32Å; R216-A218 PolarHBondContact O-N 3.11Å; R216-S219 PolarHBondContact O-N 3.1Å; R216-S219 PolarHBondContact O-OG 2.82Å; R216-G220 PolarHBondContact O-N 2.81Å
217A89.4Confident89.3Confident5 Ų576.1 Ų76.14%0.04138%0.381CS..Hα-helixtrans-62.2-41175.300000111.3L213 S214 E215 S219 G220 K272 C274 V286L213-A217 WeakPolarHBondContact O-CB 3.42Å; L213-A217 PolarHBondContact O-N 3.06Å; S214-A217 PolarHBondContact O-N 3.39Å; E215-A217 VanDerWaalsContact C-N 3.34Å; E215-A217 PolarHBondContact O-N 3.03Å; A217-S219 VanDerWaalsContact C-N 3.31Å; A217-S219 PolarHBondContact O-N 2.66Å; A217-G220 PolarHBondContact O-N 3.06Å; A217-G220 VanDerWaalsContact O-N 3.15Å; A217-K272 WeakPolarHBondContact O-CD 3.35Å; A217-C274 HydrophobicContact CB-CB 4.13Å; A217-V286 HydrophobicContact CB-CG2 3.63Å
218A90.4Very high90.1Very high45 Ų4569.7 Ų69.737%0.37236%0.359SS..Hα-helixtrans-62.2-34174.900000113.2S214 E215 R216 G220 K272S214-A218 WeakPolarHBondContact O-CB 3.35Å; S214-A218 PolarHBondContact O-N 2.72Å; E215-A218 CarbonylContact O-C 3.57Å; E215-A218 WeakPolarHBondContact O-CB 3.35Å; E215-A218 PolarHBondContact O-N 3.19Å; E215-A218 VanDerWaalsContact O-N 3.16Å; R216-A218 VanDerWaalsContact C-N 3.32Å; R216-A218 PolarHBondContact O-N 3.11Å; A218-G220 VanDerWaalsContact C-N 3.34Å; A218-K272 WeakPolarHBondContact O-CE 3.47Å; A218-K272 PolarHBondContact O-NZ 2.96Å
219S91.3Very high90.7Very high100 Ų10068.7 Ų68.770%0.69935%0.352SS*.Hα-helixtrans-80.3-15.317670.20000113.8E215 R216 A217E215-S219 PolarHBondContact O-N 3.1Å; E215-S219 PolarHBondContact O-OG 2.94Å; R216-S219 PolarHBondContact O-N 3.1Å; R216-S219 PolarHBondContact O-OG 2.82Å; A217-S219 VanDerWaalsContact C-N 3.31Å; A217-S219 PolarHBondContact O-N 2.66Å
220G90.5Very high91Very high21 Ų2169.2 Ų69.222%0.21635%0.354CS..SBendtrans-69.2168.5-178.300000114.4R216 A217 A218 K272R216-G220 PolarHBondContact O-N 2.81Å; A217-G220 PolarHBondContact O-N 3.06Å; A217-G220 VanDerWaalsContact O-N 3.15Å; A218-G220 VanDerWaalsContact C-N 3.34Å; G220-K272 PolarHBondContact O-NZ 3.27Å
221P94.3Very high91.1Very high93 Ų9360.2 Ų60.260%0.60432%0.321SS*.PPolyproline II helixtrans-61151.8175.827.5-34.2000111.3H223P221-H223 PolarHBondContact O-CD2 2.79Å
222S95.1Very high91.2Very high66 Ų6655.9 Ų55.946%0.46230%0.299SS..PPolyproline II helixtrans-91.2135172.4-53.80000109
223H96.3Very high90.9Very high51 Ų5158.9 Ų58.924%0.23631%0.306CS..EExtended strand (participates in β ladder)trans-111.6156.9177.4-60.7-91.6000109.7P221 V270 Y271 L273P221-H223 PolarHBondContact O-CD2 2.79Å; H223-V270 WeakPolarHBondContact O-CA 3.25Å; H223-Y271 HydrophobicContact CB-CD1 4.44Å; H223-Y271 HydrophobicContact CB-CD2 4.05Å; H223-Y271 HydrophobicContact CB-CE1 4.01Å; H223-Y271 HydrophobicContact CB-CE2 3.57Å; H223-Y271 HydrophobicContact CB-CG 4.46Å; H223-Y271 PolarHBondContact N-O 2.79Å; H223-Y271 PolarHBondContact O-N 2.61Å; H223-L273 WeakPolarHBondContact NE2-CD1 3.4Å
224H96.5Very high90.6Very high99 Ų9965 Ų6546%0.45833%0.328SS..EExtended strand (participates in β ladder)trans-119.5145.8179.5-58.277.3000108.8S242 V269 V270H224-S242 PolarHBondContact O-N 3.23Å; H224-V269 WeakPolarHBondContact CA-O 3.1Å; H224-V270 VanDerWaalsContact CD2-CG2 3.47Å; H224-V270 WeakPolarHBondContact CD2-CG2 3.14Å
225G96.1Very high90.8Very high0 Ų064.3 Ų64.30%033%0.325CS..EExtended strand (participates in β ladder)trans-167.3-176.4179.500000111.4T240 S242 V269G225-T240 CarbonylContact C-O 3.55Å; G225-T240 WeakPolarHBondContact CA-O 3.33Å; G225-S242 WeakPolarHBondContact CA-OG 3.45Å; G225-V269 PolarHBondContact N-O 3.24Å; G225-V269 WeakPolarHBondContact O-CG2 3.33Å; G225-V269 PolarHBondContact O-N 3.15Å
226H96.1Very high90.9Very high86 Ų8661.6 Ų61.640%0.39831%0.312SS..EExtended strand (participates in β ladder)trans-122.5143.9173.7-58.880.9000109.8K228 I239 T240 D267H226-K228 PolarHBondContact O-N 3.08Å; H226-I239 CarbonylContact O-C 3.54Å; H226-I239 WeakPolarHBondContact O-CA 3.46Å; H226-T240 PolarHBondContact N-O 2.8Å; H226-T240 PolarHBondContact O-N 2.97Å; H226-D267 CarbonylContact C-O 3.43Å; H226-D267 WeakPolarHBondContact CA-O 3.39Å
227V95.4Very high91.1Very high5 Ų554.3 Ų54.33%0.0329%0.285CS..EExtended strand (participates in β ladder)trans-66.1117.8173.4175.90000107.9F230 P263 H264 E265 G266 D267 V269V227-F230 HydrophobicContact CG1-CB 4.17Å; V227-P263 HydrophobicContact CG1-CB 4.09Å; V227-P263 HydrophobicContact CG2-CB 3.93Å; V227-H264 WeakPolarHBondContact CB-O 3.44Å; V227-H264 VanDerWaalsContact CG1-O 3.29Å; V227-H264 WeakPolarHBondContact CG1-O 3.48Å; V227-E265 CarbonylContact O-C 3.56Å; V227-E265 WeakPolarHBondContact O-CA 3.36Å; V227-G266 PolarHBondContact O-N 3.13Å; V227-D267 HydrophobicContact CB-CB 4.22Å; V227-D267 HydrophobicContact CG2-CB 3.9Å; V227-D267 PolarHBondContact N-O 3.33Å; V227-V269 HydrophobicContact CG2-CG1 3.63Å; V227-V269 HydrophobicContact CG2-CG2 4.37Å
228K93.5Very high91.3Very high103 Ų10358.7 Ų58.745%0.44830%0.301SS..EExtended strand (participates in β ladder)trans-80.7-40.8174.7178.5173.1179.7168.70111.1H226 Y238 D249 E265H226-K228 PolarHBondContact O-N 3.08Å; K228-Y238 WeakPolarHBondContact CB-O 3.2Å; K228-Y238 PolarHBondContact N-O 3.09Å; K228-D249 VanDerWaalsContact CD-CG 3.46Å; K228-D249 WeakPolarHBondContact CD-OD1 3.38Å; K228-D249 WeakPolarHBondContact CD-OD2 3.48Å; K228-D249 WeakPolarHBondContact CE-OD2 3.37Å; K228-D249 IonicContact NZ-OD1 3.95Å; K228-D249 IonicContact NZ-OD2 3.76Å; K228-D249 PolarHBondContact NZ-OD2 3.4Å; K228-E265 WeakPolarHBondContact O-CG 3.22Å
229Y92.5Very high91.6Very high69 Ų6956.6 Ų56.627%0.27128%0.283SS..EExtended strand (participates in β ladder)trans-162.4143.8-176167.6-100.7000109.2C231 G237 Y238 K314Y229-C231 HydrophobicContact CE1-CB 4.07Å; Y229-C231 HydrophobicContact CE2-CB 4.31Å; Y229-C231 WeakPolarHBondContact OH-CB 3.43Å; Y229-G237 CarbonylContact O-C 3.28Å; Y229-G237 WeakPolarHBondContact O-CA 3.2Å; Y229-Y238 HydrophobicContact CD1-CD2 4.16Å; Y229-Y238 PolarHBondContact N-O 3.5Å; Y229-Y238 PolarHBondContact O-N 2.86Å; Y229-K314 WeakPolarHBondContact CE2-O 3.46Å; Y229-K314 PolarHBondContact OH-O 2.71Å
230F90.6Very high91.9Very high23 Ų2354.2 Ų54.210%0.10126%0.264CS..EExtended strand (participates in β ladder)trans-150.5127.6168.9-166.9-85.4000109.1V227 V252 I254 V257 V262 P263 W302V227-F230 HydrophobicContact CG1-CB 4.17Å; F230-V252 HydrophobicContact CD2-CG1 4.21Å; F230-V252 HydrophobicContact CE2-CG1 4.4Å; F230-I254 HydrophobicContact CZ-CB 4Å; F230-I254 HydrophobicContact CZ-CG1 4.26Å; F230-V257 HydrophobicContact CE2-CG2 4.1Å; F230-V257 HydrophobicContact CZ-CG2 4.5Å; F230-V262 HydrophobicContact CD1-CG1 4.11Å; F230-V262 HydrophobicContact CE1-CG1 4.32Å; F230-P263 HydrophobicContact CB-CB 4.04Å; F230-P263 WeakPolarHBondContact CB-O 3.44Å; F230-P263 HydrophobicContact CD1-CB 4.45Å; F230-P263 HydrophobicContact CD1-CG 4.44Å; F230-P263 HydrophobicContact CD2-CB 4.12Å; F230-P263 HydrophobicContact CD2-CG 4.05Å; F230-P263 HydrophobicContact CE2-CG 4.23Å; F230-P263 HydrophobicContact CG-CB 3.95Å; F230-P263 HydrophobicContact CG-CG 4.17Å; F230-W302 HydrophobicContact CD1-CH2 4.49Å; F230-W302 AromaticContact CE1-CH2 3.53Å; F230-W302 HydrophobicContact CE1-CH2 3.53Å; F230-W302 HydrophobicContact CE1-CZ3 4.06Å; F230-W302 AromaticContact CZ-CH2 3.75Å; F230-W302 HydrophobicContact CZ-CH2 3.75Å
231C86.5Confident92.1Very high2 Ų253.6 Ų53.61%0.01426%0.257CS..EExtended strand (participates in β ladder)trans-109.5112.5172.7173.10000108.9Y229 E233 R234 G235 H236 C315Y229-C231 HydrophobicContact CE1-CB 4.07Å; Y229-C231 HydrophobicContact CE2-CB 4.31Å; Y229-C231 WeakPolarHBondContact OH-CB 3.43Å; C231-E233 VanDerWaalsContact C-N 3.28Å; C231-E233 PolarHBondContact O-N 3.24Å; C231-R234 HydrophobicContact CB-CB 4.2Å; C231-R234 PolarHBondContact O-N 2.85Å; C231-G235 PolarHBondContact O-N 3.43Å; C231-H236 PolarHBondContact N-O 3.04Å; C231-H236 PolarHBondContact O-N 3.09Å; C231-C315 HydrophobicContact CB-CB 4.47Å; C231-C315 WeakPolarHBondContact CB-SG 3.45Å; C231-C315 WeakPolarHBondContact SG-CB 3.28Å; C231-C315 CovalentContact SG-SG 2.08Å; C231-C315 PolarHBondContact SG-SG 3.16Å
232R85Confident92.1Very high43 Ų4351.8 Ų51.816%0.16225%0.246CC..THydrogen-bonded Turntrans-55.6-42.5178.9-179.5176.4-176.2-170.8-1.7112.4G235 V262 E300 W302 Q304 I306R232-G235 PolarHBondContact O-N 3.4Å; R232-V262 HydrophobicContact CB-CG1 4.11Å; R232-V262 HydrophobicContact CG-CG1 4.44Å; R232-E300 IonicContact NH1-OE2 3.99Å; R232-W302 HydrophobicContact CG-CZ3 4.17Å; R232-W302 PolarHBondContact NH2-O 3.33Å; R232-Q304 VanDerWaalsContact CZ-O 3.28Å; R232-Q304 PolarHBondContact NH1-O 3.19Å; R232-Q304 VanDerWaalsContact NH1-O 3.08Å; R232-Q304 PolarHBondContact NH2-O 2.85Å; R232-I306 HydrophobicContact CG-CD1 4.25Å
233E79.8Confident91.8Very high124 Ų12454.7 Ų54.758%0.57926%0.257SS*.THydrogen-bonded Turntrans-67.3-39.8-178.4-63.2-176.7175.600112.3C231 G235 I306C231-E233 VanDerWaalsContact C-N 3.28Å; C231-E233 PolarHBondContact O-N 3.24Å; E233-G235 VanDerWaalsContact C-N 3.31Å; E233-I306 HydrophobicContact CG-CD1 4.46Å; E233-I306 HydrophobicContact CG-CG2 4.13Å
234R81.2Confident91.4Very high147 Ų14756 Ų5656%0.55527%0.27SS*.THydrogen-bonded Turntrans-81.7-9.2176-67.6-176.6173.61577.7113.6C231 H236 C315C231-R234 HydrophobicContact CB-CB 4.2Å; C231-R234 PolarHBondContact O-N 2.85Å; R234-H236 VanDerWaalsContact C-N 3.29Å; R234-H236 PolarHBondContact O-N 3.34Å; R234-H236 PolarHBondContact O-ND1 2.97Å; R234-C315 PolarHBondContact NH1-O 2.71Å; R234-C315 PolarHBondContact NH2-O 3.17Å
235G87.7Confident90.7Very high10 Ų1056 Ų5610%0.10328%0.278CS..THydrogen-bonded Turntrans66.322.817700000115.1C231 R232 E233 H253 I254C231-G235 PolarHBondContact O-N 3.43Å; R232-G235 PolarHBondContact O-N 3.4Å; E233-G235 VanDerWaalsContact C-N 3.31Å; G235-H253 PolarHBondContact O-CD2 3.41Å; G235-I254 VanDerWaalsContact O-CB 3.27Å; G235-I254 WeakPolarHBondContact O-CB 3.28Å; G235-I254 VanDerWaalsContact O-CG2 3.32Å; G235-I254 WeakPolarHBondContact O-CG2 3.36Å; G235-I254 PolarHBondContact O-N 2.91Å
236H91.4Very high90Very high49 Ų4963.9 Ų63.923%0.22732%0.32CS..EExtended strand (participates in β ladder)trans-152.5167.8-179.970.3-92.2000113.4C231 R234 F251 V252C231-H236 PolarHBondContact N-O 3.04Å; C231-H236 PolarHBondContact O-N 3.09Å; R234-H236 VanDerWaalsContact C-N 3.29Å; R234-H236 PolarHBondContact O-N 3.34Å; R234-H236 PolarHBondContact O-ND1 2.97Å; H236-F251 HydrophobicContact CB-CE2 3.53Å; H236-F251 HydrophobicContact CB-CZ 3.72Å; H236-F251 AromaticContact CD2-CE2 3.83Å; H236-F251 AromaticContact CG-CE2 3.81Å; H236-V252 VanDerWaalsContact CA-O 3.31Å; H236-V252 WeakPolarHBondContact CA-O 3.38Å; H236-V252 WeakPolarHBondContact CB-O 3.4Å
237G92.4Very high89.6Confident0 Ų061 Ų610%031%0.31CS..EExtended strand (participates in β ladder)trans-162.2-165.717900000113.3Y229 V252Y229-G237 CarbonylContact O-C 3.28Å; Y229-G237 WeakPolarHBondContact O-CA 3.2Å; G237-V252 VanDerWaalsContact C-CG1 3.49Å; G237-V252 PolarHBondContact N-O 2.82Å; G237-V252 WeakPolarHBondContact O-CG1 3.4Å; G237-V252 PolarHBondContact O-N 3.46Å
238Y95.5Very high89.4Confident97 Ų9766 Ų6638%0.3834%0.342SS..EExtended strand (participates in β ladder)trans-136.9141.6-179.7-65-83.2000110.8K228 Y229 D249 I250 F251K228-Y238 WeakPolarHBondContact CB-O 3.2Å; K228-Y238 PolarHBondContact N-O 3.09Å; Y229-Y238 HydrophobicContact CD1-CD2 4.16Å; Y229-Y238 PolarHBondContact N-O 3.5Å; Y229-Y238 PolarHBondContact O-N 2.86Å; Y238-D249 HydrophobicContact CD1-CB 4.3Å; Y238-I250 CarbonylContact C-O 3.58Å; Y238-I250 WeakPolarHBondContact CA-O 3.29Å; Y238-F251 HydrophobicContact CD1-CB 4.5Å; Y238-F251 HydrophobicContact CE1-CB 4.27Å; Y238-F251 HydrophobicContact CE1-CD2 4.23Å
239I96Very high89.5Confident1 Ų164 Ų641%0.00534%0.336CS..EExtended strand (participates in β ladder)trans-114.1130.1176.1-63.8164.8000108.3H226 P241 D249 I250 V252 V269 Y271 A285 V288H226-I239 CarbonylContact O-C 3.54Å; H226-I239 WeakPolarHBondContact O-CA 3.46Å; I239-P241 WeakPolarHBondContact O-CD 3.48Å; I239-D249 WeakPolarHBondContact O-CA 3.38Å; I239-I250 PolarHBondContact N-O 2.85Å; I239-I250 PolarHBondContact O-N 3.3Å; I239-V252 HydrophobicContact CD1-CB 4.03Å; I239-V252 HydrophobicContact CD1-CG1 4.09Å; I239-V252 HydrophobicContact CD1-CG2 4.43Å; I239-V252 HydrophobicContact CG1-CG1 4.07Å; I239-V269 HydrophobicContact CB-CG2 4.47Å; I239-V269 HydrophobicContact CD1-CG2 3.93Å; I239-V269 HydrophobicContact CG1-CG2 4.02Å; I239-V269 HydrophobicContact CG2-CG2 3.6Å; I239-Y271 HydrophobicContact CD1-CD1 4.3Å; I239-Y271 HydrophobicContact CD1-CG 4.45Å; I239-Y271 HydrophobicContact CG2-CD1 4.04Å; I239-Y271 HydrophobicContact CG2-CE1 3.62Å; I239-A285 HydrophobicContact CD1-CB 3.69Å; I239-V288 HydrophobicContact CD1-CG1 3.81Å; I239-V288 HydrophobicContact CD1-CG2 4.05Å
240T96.4Very high89.5Confident49 Ų4961.5 Ų61.530%0.30133%0.328SS..EExtended strand (participates in β ladder)trans-89117.9170.6-59.60000108.8G225 H226 D249G225-T240 CarbonylContact C-O 3.55Å; G225-T240 WeakPolarHBondContact CA-O 3.33Å; H226-T240 PolarHBondContact N-O 2.8Å; H226-T240 PolarHBondContact O-N 2.97Å; T240-D249 PolarHBondContact OG1-OD1 2.96Å
241P96Very high89.7Confident9 Ų961.3 Ų61.36%0.05833%0.327CS..EExtended strand (participates in β ladder)trans-65.4141.7179.6-21.734.7000112.2I239 I250 Y271I239-P241 WeakPolarHBondContact O-CD 3.48Å; P241-I250 HydrophobicContact CG-CD1 3.6Å; P241-I250 HydrophobicContact CG-CG1 3.81Å; P241-Y271 WeakPolarHBondContact CB-OH 3.38Å; P241-Y271 WeakPolarHBondContact CG-OH 3.42Å
242S93.7Very high90Very high54 Ų5461.4 Ų61.438%0.37833%0.327SS..SBendtrans-80.5-27.5176.1-61.80000112.9H224 G225H224-S242 PolarHBondContact O-N 3.23Å; G225-S242 WeakPolarHBondContact CA-OG 3.45Å
243D89.4Confident90.3Very high128 Ų12861.5 Ų61.568%0.68433%0.33SS*.SBendtrans-143.1122.8-177.9-17424.1000110.9
244P86.8Confident90.9Very high79 Ų7958.3 Ų58.351%0.51332%0.316SS..SBendcis-70.5147.2-5.626.6-29.5000111.9S247P244-S247 VanDerWaalsContact CD-OG 3.25Å; P244-S247 WeakPolarHBondContact CD-OG 3.48Å; P244-S247 VanDerWaalsContact CG-OG 3.28Å; P244-S247 WeakPolarHBondContact CG-OG 3.45Å; P244-S247 WeakPolarHBondContact O-CB 3.01Å; P244-S247 PolarHBondContact O-N 3.23Å; P244-S247 PolarHBondContact O-OG 3.49Å
245P82.1Confident91.4Very high98 Ų9852.7 Ų52.764%0.63630%0.299SS*.THydrogen-bonded Turntrans-57.9142.9172.723.3-31.4000110.1
246N81.8Confident91.6Very high165 Ų16552.2 Ų52.288%0.88229%0.294SS*.THydrogen-bonded Turntrans68.421.9-173.5-52.3-39000115.9
247S87.8Confident91.7Very high26 Ų2650.5 Ų50.518%0.18229%0.287CS..PPolyproline II helixtrans-62.2149.9166.3-66.90000111.6P244P244-S247 VanDerWaalsContact CD-OG 3.25Å; P244-S247 WeakPolarHBondContact CD-OG 3.48Å; P244-S247 VanDerWaalsContact CG-OG 3.28Å; P244-S247 WeakPolarHBondContact CG-OG 3.45Å; P244-S247 WeakPolarHBondContact O-CB 3.01Å; P244-S247 PolarHBondContact O-N 3.23Å; P244-S247 PolarHBondContact O-OG 3.49Å
248P92Very high91.7Very high109 Ų10953.4 Ų53.471%0.70830%0.301SS*.PPolyproline II helixtrans-60.5147.117326.6-34.5000111.1
249D94Very high91.3Very high61 Ų6151.2 Ų51.233%0.32631%0.308SS..PPolyproline II helixtrans-62.8142.3176.9-60-45000111.2K228 Y238 I239 T240K228-D249 VanDerWaalsContact CD-CG 3.46Å; K228-D249 WeakPolarHBondContact CD-OD1 3.38Å; K228-D249 WeakPolarHBondContact CD-OD2 3.48Å; K228-D249 WeakPolarHBondContact CE-OD2 3.37Å; K228-D249 IonicContact NZ-OD1 3.95Å; K228-D249 IonicContact NZ-OD2 3.76Å; K228-D249 PolarHBondContact NZ-OD2 3.4Å; Y238-D249 HydrophobicContact CD1-CB 4.3Å; I239-D249 WeakPolarHBondContact O-CA 3.38Å; T240-D249 PolarHBondContact OG1-OD1 2.96Å
250I93.5Very high90.9Very high18 Ų1855.5 Ų55.59%0.09233%0.331CS..EExtended strand (participates in β ladder)trans-108.5126.6-174.6-53.9-170.7000108.9Y238 I239 P241 Y271 L273 A285Y238-I250 CarbonylContact C-O 3.58Å; Y238-I250 WeakPolarHBondContact CA-O 3.29Å; I239-I250 PolarHBondContact N-O 2.85Å; I239-I250 PolarHBondContact O-N 3.3Å; P241-I250 HydrophobicContact CG-CD1 3.6Å; P241-I250 HydrophobicContact CG-CG1 3.81Å; I250-Y271 HydrophobicContact CD1-CE2 3.9Å; I250-L273 HydrophobicContact CD1-CD2 3.69Å; I250-L273 HydrophobicContact CG2-CD2 4.14Å; I250-A285 HydrophobicContact CG2-CB 3.91Å; I250-A285 VanDerWaalsContact CG2-N 3.3Å
251F93.7Very high90.6Very high19 Ų1957.9 Ų57.98%0.08334%0.335CS..EExtended strand (participates in β ladder)trans-63.8139.1177.3175.3-96.9000111.5L203 H236 Y238 H253 Q284 A285L203-F251 HydrophobicContact CB-CE1 3.95Å; L203-F251 HydrophobicContact CB-CZ 4.27Å; L203-F251 HydrophobicContact CD1-CD1 4.22Å; L203-F251 HydrophobicContact CD1-CD2 4.08Å; L203-F251 HydrophobicContact CD1-CE1 3.73Å; L203-F251 HydrophobicContact CD1-CE2 3.56Å; L203-F251 HydrophobicContact CD1-CG 4.39Å; L203-F251 HydrophobicContact CD1-CZ 3.38Å; L203-F251 HydrophobicContact CD2-CD1 4.24Å; L203-F251 HydrophobicContact CD2-CE1 4.33Å; L203-F251 HydrophobicContact CG-CE1 4.21Å; L203-F251 HydrophobicContact CG-CZ 4.32Å; H236-F251 HydrophobicContact CB-CE2 3.53Å; H236-F251 HydrophobicContact CB-CZ 3.72Å; H236-F251 AromaticContact CD2-CE2 3.83Å; H236-F251 AromaticContact CG-CE2 3.81Å; Y238-F251 HydrophobicContact CD1-CB 4.5Å; Y238-F251 HydrophobicContact CE1-CB 4.27Å; Y238-F251 HydrophobicContact CE1-CD2 4.23Å; F251-H253 HydrophobicContact CE1-CB 3.9Å; F251-H253 HydrophobicContact CZ-CB 4.17Å; F251-Q284 HydrophobicContact CD1-CB 4.22Å; F251-Q284 WeakPolarHBondContact O-CA 3.37Å; F251-A285 PolarHBondContact O-N 2.79Å
252V93.7Very high90.4Very high3 Ų357.7 Ų57.72%0.01833%0.334CS..EExtended strand (participates in β ladder)trans-130.3132.5171.355.70000110.3F230 H236 G237 I239 V257 A285 V288F230-V252 HydrophobicContact CD2-CG1 4.21Å; F230-V252 HydrophobicContact CE2-CG1 4.4Å; H236-V252 VanDerWaalsContact CA-O 3.31Å; H236-V252 WeakPolarHBondContact CA-O 3.38Å; H236-V252 WeakPolarHBondContact CB-O 3.4Å; G237-V252 VanDerWaalsContact C-CG1 3.49Å; G237-V252 PolarHBondContact N-O 2.82Å; G237-V252 WeakPolarHBondContact O-CG1 3.4Å; G237-V252 PolarHBondContact O-N 3.46Å; I239-V252 HydrophobicContact CD1-CB 4.03Å; I239-V252 HydrophobicContact CD1-CG1 4.09Å; I239-V252 HydrophobicContact CD1-CG2 4.43Å; I239-V252 HydrophobicContact CG1-CG1 4.07Å; V252-V257 HydrophobicContact CG2-CG2 3.81Å; V252-A285 HydrophobicContact CB-CB 4.22Å; V252-V288 HydrophobicContact CB-CG2 4.49Å; V252-V288 HydrophobicContact CG2-CB 4.35Å; V252-V288 HydrophobicContact CG2-CG2 3.63Å
253H92.1Very high90.4Very high45 Ų4555.2 Ų55.221%0.20832%0.317CS..EExtended strand (participates in β ladder)trans-97.3146.6171.4-172.5-103000110.5T205 G235 F251 S255 D256T205-H253 WeakPolarHBondContact CG2-CE1 3.46Å; G235-H253 PolarHBondContact O-CD2 3.41Å; F251-H253 HydrophobicContact CE1-CB 3.9Å; F251-H253 HydrophobicContact CZ-CB 4.17Å; H253-S255 VanDerWaalsContact ND1-CB 3.34Å; H253-S255 WeakPolarHBondContact ND1-CB 3.42Å; H253-S255 PolarHBondContact ND1-N 2.92Å; H253-S255 VanDerWaalsContact ND1-N 3.19Å; H253-S255 PolarHBondContact ND1-OG 3.44Å; H253-S255 PolarHBondContact O-N 3.09Å; H253-S255 VanDerWaalsContact O-N 3.08Å; H253-D256 PolarHBondContact O-N 3.33Å
254I91.6Very high90.5Very high58 Ų5851.7 Ų51.730%0.29730%0.296SS..G310 helixtrans-51.1-36.3178.9-172.1170000113F230 G235 D256 V257 W302F230-I254 HydrophobicContact CZ-CB 4Å; F230-I254 HydrophobicContact CZ-CG1 4.26Å; G235-I254 VanDerWaalsContact O-CB 3.27Å; G235-I254 WeakPolarHBondContact O-CB 3.28Å; G235-I254 VanDerWaalsContact O-CG2 3.32Å; G235-I254 WeakPolarHBondContact O-CG2 3.36Å; G235-I254 PolarHBondContact O-N 2.91Å; I254-D256 PolarHBondContact O-N 2.85Å; I254-D256 VanDerWaalsContact O-N 3.16Å; I254-V257 PolarHBondContact O-N 2.83Å; I254-V257 VanDerWaalsContact O-N 3.14Å; I254-W302 HydrophobicContact CD1-CE3 3.87Å; I254-W302 HydrophobicContact CD1-CH2 3.78Å; I254-W302 HydrophobicContact CD1-CZ3 3.35Å; I254-W302 HydrophobicContact CG1-CE3 4.48Å; I254-W302 HydrophobicContact CG1-CH2 3.71Å; I254-W302 HydrophobicContact CG1-CZ2 4.23Å; I254-W302 HydrophobicContact CG1-CZ3 3.85Å
255S91Very high90.8Very high29 Ų2954 Ų5420%0.20330%0.3CS..G310 helixtrans-64.1-20.3-179.967.40000114.4R206 H253R206-S255 WeakPolarHBondContact CB-OG 3.34Å; R206-S255 WeakPolarHBondContact CD-O 3.48Å; R206-S255 PolarHBondContact N-OG 2.79Å; H253-S255 VanDerWaalsContact ND1-CB 3.34Å; H253-S255 WeakPolarHBondContact ND1-CB 3.42Å; H253-S255 PolarHBondContact ND1-N 2.92Å; H253-S255 VanDerWaalsContact ND1-N 3.19Å; H253-S255 PolarHBondContact ND1-OG 3.44Å; H253-S255 PolarHBondContact O-N 3.09Å; H253-S255 VanDerWaalsContact O-N 3.08Å
256D93.4Very high91.3Very high0 Ų051.1 Ų51.10%029%0.288CS..G310 helixtrans-99.3-2.8-179-78.3-78.3000112.6R209 H253 I254 V286 H287 V288R209-D256 IonicContact CZ-OD1 3.79Å; R209-D256 IonicContact CZ-OD2 3.09Å; R209-D256 IonicContact NH1-OD1 2.85Å; R209-D256 PolarHBondContact NH1-OD1 3.29Å; R209-D256 IonicContact NH1-OD2 2.81Å; R209-D256 VanDerWaalsContact NH2-CG 3.3Å; R209-D256 IonicContact NH2-OD1 2.61Å; R209-D256 PolarHBondContact NH2-OD1 3.33Å; R209-D256 IonicContact NH2-OD2 2.66Å; R209-D256 PolarHBondContact NH2-OD2 2.82Å; H253-D256 PolarHBondContact O-N 3.33Å; I254-D256 PolarHBondContact O-N 2.85Å; I254-D256 VanDerWaalsContact O-N 3.16Å; D256-V286 WeakPolarHBondContact OD1-CB 3.33Å; D256-H287 PolarHBondContact O-N 2.82Å; D256-V288 PolarHBondContact O-N 3.33Å
257V93.1Very high91.9Very high13 Ų1343.3 Ų43.38%0.07925%0.246CC..EExtended strand (participates in β ladder)trans-83.9124.1172-175.50000109F230 V252 I254 P263 W302F230-V257 HydrophobicContact CE2-CG2 4.1Å; F230-V257 HydrophobicContact CZ-CG2 4.5Å; V252-V257 HydrophobicContact CG2-CG2 3.81Å; I254-V257 PolarHBondContact O-N 2.83Å; I254-V257 VanDerWaalsContact O-N 3.14Å; V257-P263 HydrophobicContact CG1-CG 3.73Å; V257-P263 HydrophobicContact CG2-CG 4.02Å; V257-W302 HydrophobicContact CB-CZ2 4.35Å; V257-W302 HydrophobicContact CG1-CZ2 4.09Å
258E91.1Very high92.3Very high60 Ų6046.1 Ų46.128%0.2826%0.257SS..EExtended strand (participates in β ladder)trans-96.2141.7176.7-53-68.3-176.400110.3R206 H287 V288 I289R206-E258 IonicContact CZ-OE1 3.04Å; R206-E258 IonicContact CZ-OE2 3.39Å; R206-E258 VanDerWaalsContact NH1-CD 3.27Å; R206-E258 IonicContact NH1-OE1 3.53Å; R206-E258 PolarHBondContact NH1-OE1 2.84Å; R206-E258 IonicContact NH1-OE2 2.79Å; R206-E258 PolarHBondContact NH1-OE2 3.16Å; R206-E258 VanDerWaalsContact NH1-OE2 3.1Å; R206-E258 IonicContact NH2-OE1 3.09Å; R206-E258 PolarHBondContact NH2-OE1 3.46Å; R206-E258 IonicContact NH2-OE2 3.06Å; E258-H287 IonicContact OE1-CD2 3.5Å; E258-V288 PolarHBondContact N-O 2.84Å; E258-I289 HydrophobicContact CB-CG1 3.97Å; E258-I289 HydrophobicContact CG-CG1 4.06Å
259G88.5Confident92.5Very high52 Ų5240.9 Ų40.954%0.53622%0.223SC..SBendtrans101.1179.117700000114.1W302G259-W302 VanDerWaalsContact O-CD1 3.22Å; G259-W302 PolarHBondContact O-NE1 3.28Å; G259-W302 VanDerWaalsContact O-NE1 3.09Å
260D87.5Confident92.7Very high91 Ų9138.8 Ų38.849%0.48721%0.212SC..SBendtrans-90.2-10.9-166.9-70-4.5000114.4R301 W302D260-R301 CarbonylContact O-C 3.55Å; D260-R301 WeakPolarHBondContact O-CA 3.28Å; D260-R301 WeakPolarHBondContact O-CB 3.47Å; D260-R301 IonicContact OD2-CZ 3.45Å; D260-R301 IonicContact OD2-NE 2.89Å; D260-R301 IonicContact OD2-NH2 3.39Å; D260-R301 PolarHBondContact OD2-NH2 3.27Å; D260-W302 PolarHBondContact O-N 3.45Å
261Y90.2Very high92.8Very high98 Ų9838.1 Ų38.138%0.38421%0.208SC..BIsolated β-bridgetrans-101.5142.4-172.4-70-79.1000112.2H299 R301 W302Y261-H299 HydrophobicContact CD1-CB 3.86Å; Y261-H299 HydrophobicContact CE1-CB 4.3Å; Y261-R301 HydrophobicContact CD1-CG 3.85Å; Y261-R301 HydrophobicContact CE1-CG 3.66Å; Y261-W302 WeakPolarHBondContact O-CZ2 3.34Å; Y261-W302 PolarHBondContact O-NE1 3.21Å; Y261-W302 VanDerWaalsContact O-NE1 3.12Å
262V91.1Very high92.9Very high5 Ų539.2 Ų39.23%0.0321%0.213CC..PPolyproline II helixtrans-72.7126.2170.7-174.50000108.3F230 R232 H264 E300 W302F230-V262 HydrophobicContact CD1-CG1 4.11Å; F230-V262 HydrophobicContact CE1-CG1 4.32Å; R232-V262 HydrophobicContact CB-CG1 4.11Å; R232-V262 HydrophobicContact CG-CG1 4.44Å; V262-H264 PolarHBondContact O-CD2 3.13Å; V262-H264 PolarHBondContact O-N 2.86Å; V262-E300 HydrophobicContact CG2-CB 4.29Å; V262-E300 WeakPolarHBondContact CG2-O 3.39Å; V262-E300 PolarHBondContact N-O 2.97Å; V262-W302 HydrophobicContact CB-CE3 4.42Å; V262-W302 HydrophobicContact CB-CH2 4.2Å; V262-W302 HydrophobicContact CB-CZ3 4.15Å; V262-W302 HydrophobicContact CG1-CH2 3.96Å; V262-W302 HydrophobicContact CG1-CZ3 3.91Å; V262-W302 HydrophobicContact CG2-CD2 3.92Å; V262-W302 HydrophobicContact CG2-CE3 3.57Å; V262-W302 HydrophobicContact CG2-CH2 4.22Å; V262-W302 HydrophobicContact CG2-CZ3 3.72Å
263P93Very high92.9Very high3 Ų341.3 Ų41.32%0.01922%0.224CC..PPolyproline II helixtrans-59.4135.4174.1-2433000111.4V227 F230 V257 L290 W302V227-P263 HydrophobicContact CG1-CB 4.09Å; V227-P263 HydrophobicContact CG2-CB 3.93Å; F230-P263 HydrophobicContact CB-CB 4.04Å; F230-P263 WeakPolarHBondContact CB-O 3.44Å; F230-P263 HydrophobicContact CD1-CB 4.45Å; F230-P263 HydrophobicContact CD1-CG 4.44Å; F230-P263 HydrophobicContact CD2-CB 4.12Å; F230-P263 HydrophobicContact CD2-CG 4.05Å; F230-P263 HydrophobicContact CE2-CG 4.23Å; F230-P263 HydrophobicContact CG-CB 3.95Å; F230-P263 HydrophobicContact CG-CG 4.17Å; V257-P263 HydrophobicContact CG1-CG 3.73Å; V257-P263 HydrophobicContact CG2-CG 4.02Å; P263-L290 HydrophobicContact CB-CD2 4.3Å; P263-W302 VanDerWaalsContact CD-CZ2 3.43Å; P263-W302 HydrophobicContact CG-CZ2 4.48Å
264H91.9Very high92.9Very high53 Ų5339.2 Ų39.225%0.24521%0.214CC..  trans-119.3156.7172.9-82.5-81000111.5V227 V262 G266 D267 V297 H299V227-H264 WeakPolarHBondContact CB-O 3.44Å; V227-H264 VanDerWaalsContact CG1-O 3.29Å; V227-H264 WeakPolarHBondContact CG1-O 3.48Å; V262-H264 PolarHBondContact O-CD2 3.13Å; V262-H264 PolarHBondContact O-N 2.86Å; H264-G266 PolarHBondContact O-N 3.46Å; H264-D267 PolarHBondContact N-OD2 3.15Å; H264-D267 WeakPolarHBondContact O-CB 3.41Å; H264-D267 VanDerWaalsContact O-CG 3.27Å; H264-D267 PolarHBondContact O-N 2.99Å; H264-D267 VanDerWaalsContact O-N 3.09Å; H264-V297 HydrophobicContact CB-CG1 3.88Å; H264-H299 AromaticContact CD2-CD2 3.79Å
265E93.7Very high92.8Very high127 Ų12738.5 Ų38.559%0.59321%0.214SC*.THydrogen-bonded Turntrans-53.4125.1174.5-179.1176.9-175.400110.8V227 K228V227-E265 CarbonylContact O-C 3.56Å; V227-E265 WeakPolarHBondContact O-CA 3.36Å; K228-E265 WeakPolarHBondContact O-CG 3.22Å
266G93Very high92.6Very high39 Ų3938.2 Ų38.240%0.40221%0.21SC..THydrogen-bonded Turntrans97.1-8.7-178.300000115.4V227 H264 E268V227-G266 PolarHBondContact O-N 3.13Å; H264-G266 PolarHBondContact O-N 3.46Å; G266-E268 PolarHBondContact O-N 3.41Å
267D94.5Very high91.8Very high0 Ų040 Ų400%022%0.222CC..  trans-65.2133.4177.9-71.5-12.8000111.7H226 V227 H264 L290 G292 L293 A294 H299H226-D267 CarbonylContact C-O 3.43Å; H226-D267 WeakPolarHBondContact CA-O 3.39Å; V227-D267 HydrophobicContact CB-CB 4.22Å; V227-D267 HydrophobicContact CG2-CB 3.9Å; V227-D267 PolarHBondContact N-O 3.33Å; H264-D267 PolarHBondContact N-OD2 3.15Å; H264-D267 WeakPolarHBondContact O-CB 3.41Å; H264-D267 VanDerWaalsContact O-CG 3.27Å; H264-D267 PolarHBondContact O-N 2.99Å; H264-D267 VanDerWaalsContact O-N 3.09Å; D267-L290 HydrophobicContact CB-CD2 3.63Å; D267-G292 CarbonylContact C-O 3.5Å; D267-G292 WeakPolarHBondContact CA-O 3.2Å; D267-L293 WeakPolarHBondContact OD1-CA 3.23Å; D267-A294 WeakPolarHBondContact OD1-CB 3.47Å; D267-A294 PolarHBondContact OD1-N 2.9Å; D267-H299 VanDerWaalsContact CG-NE2 3.35Å; D267-H299 IonicContact OD1-CD2 3.83Å; D267-H299 IonicContact OD1-CE1 3.71Å; D267-H299 IonicContact OD1-NE2 2.99Å; D267-H299 PolarHBondContact OD1-NE2 2.78Å; D267-H299 IonicContact OD2-CD2 3.94Å; D267-H299 IonicContact OD2-NE2 3.71Å; D267-H299 PolarHBondContact OD2-NE2 3.47Å
268E95.8Very high90.9Very high85 Ų8544.9 Ų44.940%0.39725%0.253SS..EExtended strand (participates in β ladder)trans-76.9127.4172.7-172.4-174.3-179.900109.6G266 R291 G292G266-E268 PolarHBondContact O-N 3.41Å; E268-R291 HydrophobicContact CG-CB 4.37Å; E268-R291 PolarHBondContact O-N 2.9Å; E268-G292 PolarHBondContact N-O 3.02Å; E268-G292 PolarHBondContact O-N 3.47Å
269V96.7Very high90.3Very high0 Ų049.2 Ų49.20%027%0.271CS..EExtended strand (participates in β ladder)trans-127.1144.9-178-72.10000111.8H224 G225 V227 I239 Y271 V288 I289 L290H224-V269 WeakPolarHBondContact CA-O 3.1Å; G225-V269 PolarHBondContact N-O 3.24Å; G225-V269 WeakPolarHBondContact O-CG2 3.33Å; G225-V269 PolarHBondContact O-N 3.15Å; V227-V269 HydrophobicContact CG2-CG1 3.63Å; V227-V269 HydrophobicContact CG2-CG2 4.37Å; I239-V269 HydrophobicContact CB-CG2 4.47Å; I239-V269 HydrophobicContact CD1-CG2 3.93Å; I239-V269 HydrophobicContact CG1-CG2 4.02Å; I239-V269 HydrophobicContact CG2-CG2 3.6Å; V269-Y271 HydrophobicContact CG2-CD1 4.19Å; V269-V288 HydrophobicContact CB-CG1 3.93Å; V269-V288 HydrophobicContact CG1-CG1 3.83Å; V269-I289 WeakPolarHBondContact CA-O 3.19Å; V269-L290 HydrophobicContact CG1-CD2 3.63Å; V269-L290 HydrophobicContact CG1-CG 4.44Å
270V96.9Very high90Very high16 Ų1652 Ų5210%0.09727%0.268CS..EExtended strand (participates in β ladder)trans-107.4132.7162.8172.90000108.1H223 H224 V288 I289 R291H223-V270 WeakPolarHBondContact O-CA 3.25Å; H224-V270 VanDerWaalsContact CD2-CG2 3.47Å; H224-V270 WeakPolarHBondContact CD2-CG2 3.14Å; V270-V288 CarbonylContact O-C 3.54Å; V270-V288 WeakPolarHBondContact O-CA 3.15Å; V270-I289 PolarHBondContact N-O 2.96Å; V270-I289 PolarHBondContact O-N 2.8Å; V270-R291 HydrophobicContact CB-CG 4.2Å; V270-R291 HydrophobicContact CG2-CG 3.56Å
271Y96.6Very high89.8Confident4 Ų454.6 Ų54.62%0.01628%0.278CS..EExtended strand (participates in β ladder)trans-144.1166.1-177.761.3-84.6000111.3H223 I239 P241 I250 V269 L273 A285H223-Y271 HydrophobicContact CB-CD1 4.44Å; H223-Y271 HydrophobicContact CB-CD2 4.05Å; H223-Y271 HydrophobicContact CB-CE1 4.01Å; H223-Y271 HydrophobicContact CB-CE2 3.57Å; H223-Y271 HydrophobicContact CB-CG 4.46Å; H223-Y271 PolarHBondContact N-O 2.79Å; H223-Y271 PolarHBondContact O-N 2.61Å; I239-Y271 HydrophobicContact CD1-CD1 4.3Å; I239-Y271 HydrophobicContact CD1-CG 4.45Å; I239-Y271 HydrophobicContact CG2-CD1 4.04Å; I239-Y271 HydrophobicContact CG2-CE1 3.62Å; P241-Y271 WeakPolarHBondContact CB-OH 3.38Å; P241-Y271 WeakPolarHBondContact CG-OH 3.42Å; I250-Y271 HydrophobicContact CD1-CE2 3.9Å; V269-Y271 HydrophobicContact CG2-CD1 4.19Å; Y271-L273 HydrophobicContact CD2-CD2 4.04Å; Y271-L273 HydrophobicContact CE2-CD2 3.66Å; Y271-L273 HydrophobicContact CE2-CG 4.33Å; Y271-A285 HydrophobicContact CD2-CB 3.71Å; Y271-A285 HydrophobicContact CE2-CB 4.42Å; Y271-A285 HydrophobicContact CG-CB 3.99Å
272K95.5Very high89.7Confident43 Ų4355.1 Ų55.119%0.18728%0.282CS..EExtended strand (participates in β ladder)trans-112.6162.6170.1-55.9-156.6175.5-140.50109.8A217 A218 G220 A285 V286A217-K272 WeakPolarHBondContact O-CD 3.35Å; A218-K272 WeakPolarHBondContact O-CE 3.47Å; A218-K272 PolarHBondContact O-NZ 2.96Å; G220-K272 PolarHBondContact O-NZ 3.27Å; K272-A285 CarbonylContact O-C 3.55Å; K272-A285 WeakPolarHBondContact O-CA 2.97Å; K272-V286 HydrophobicContact CB-CG2 3.95Å; K272-V286 PolarHBondContact N-O 3.19Å; K272-V286 PolarHBondContact O-N 2.87Å
273L94.3Very high89.7Confident46 Ų4658.4 Ų58.424%0.24130%0.297CS..EExtended strand (participates in β ladder)trans-103.1137.7179.4-66.7179000111.6H223 I250 Y271 Q283 Q284H223-L273 WeakPolarHBondContact NE2-CD1 3.4Å; I250-L273 HydrophobicContact CD1-CD2 3.69Å; I250-L273 HydrophobicContact CG2-CD2 4.14Å; Y271-L273 HydrophobicContact CD2-CD2 4.04Å; Y271-L273 HydrophobicContact CE2-CD2 3.66Å; Y271-L273 HydrophobicContact CE2-CG 4.33Å; L273-Q283 HydrophobicContact CD2-CB 4.13Å; L273-Q284 WeakPolarHBondContact CA-O 3.4Å
274C92.2Very high89.7Confident1 Ų158.2 Ų58.21%0.00730%0.296CS..EExtended strand (participates in β ladder)trans-127.5130.4169.3-1740000110A217 Q283 Q284 V286A217-C274 HydrophobicContact CB-CB 4.13Å; C274-Q283 VanDerWaalsContact C-OE1 3.26Å; C274-Q284 HydrophobicContact CB-CG 4.13Å; C274-Q284 PolarHBondContact N-O 3.19Å; C274-Q284 WeakPolarHBondContact O-CG 3.48Å; C274-Q284 PolarHBondContact O-N 2.94Å; C274-V286 HydrophobicContact CB-CB 4.48Å; C274-V286 HydrophobicContact CB-CG1 3.52Å; C274-V286 HydrophobicContact CB-CG2 4.07Å
275P89.7Confident89.9Confident44 Ų4455.7 Ų55.729%0.28628%0.284SS..EExtended strand (participates in β ladder)trans-61.4139.8172-24.734.5000112.1F280P275-F280 HydrophobicContact CB-CB 4.13Å; P275-F280 HydrophobicContact CB-CD1 3.8Å; P275-F280 HydrophobicContact CB-CG 4.46Å
276I86.4Confident89.9Confident23 Ų2349.7 Ų49.712%0.11826%0.256CS..PPolyproline II helixtrans-91.7118.3177.5-60.1163.5000109.5L203 F280 K282 Q284L203-I276 HydrophobicContact CD2-CD1 4.31Å; I276-F280 VanDerWaalsContact O-CA 3.23Å; I276-F280 WeakPolarHBondContact O-CA 3.47Å; I276-F280 PolarHBondContact O-N 2.93Å; I276-K282 HydrophobicContact CB-CB 4.48Å; I276-K282 HydrophobicContact CD1-CB 3.87Å; I276-K282 PolarHBondContact N-O 3.03Å; I276-Q284 HydrophobicContact CD1-CB 3.97Å; I276-Q284 HydrophobicContact CG1-CB 3.95Å; I276-Q284 HydrophobicContact CG1-CG 4.08Å
277P76.5Confident89.9Confident38 Ų3849.4 Ų49.425%0.24725%0.245CC..THydrogen-bonded Turntrans-68.4161.1173.229.6-33.3000111.3I204 F280I204-P277 HydrophobicContact CB-CG 4.34Å; I204-P277 HydrophobicContact CD1-CG 4.17Å; I204-P277 HydrophobicContact CG2-CG 4.14Å; P277-F280 HydrophobicContact CB-CD1 4.42Å; P277-F280 HydrophobicContact CB-CE1 3.76Å; P277-F280 HydrophobicContact CB-CZ 3.92Å
278P74Confident90Very high115 Ų11549.5 Ų49.575%0.74725%0.245SC*.THydrogen-bonded Turncis-88.4-21.5432.8-34.3000114.3F280P278-F280 WeakPolarHBondContact O-CD2 3.47Å; P278-F280 WeakPolarHBondContact O-CE2 3.32Å
279K78.7Confident89.9Confident151 Ų15148.8 Ų48.866%0.65724%0.243SC*.THydrogen-bonded Turntrans-81.9-20.8-175.6-64.8-171.9178.7-1760114.1E281K279-E281 HydrophobicContact CB-CG 4.01Å; K279-E281 PolarHBondContact O-N 3.1Å
280F82.1Confident89.8Confident109 Ų10950.2 Ų50.248%0.47825%0.251SS..  trans60.619.6-178.8-53.4-75.7000115.2P275 I276 P277 P278P275-F280 HydrophobicContact CB-CB 4.13Å; P275-F280 HydrophobicContact CB-CD1 3.8Å; P275-F280 HydrophobicContact CB-CG 4.46Å; I276-F280 VanDerWaalsContact O-CA 3.23Å; I276-F280 WeakPolarHBondContact O-CA 3.47Å; I276-F280 PolarHBondContact O-N 2.93Å; P277-F280 HydrophobicContact CB-CD1 4.42Å; P277-F280 HydrophobicContact CB-CE1 3.76Å; P277-F280 HydrophobicContact CB-CZ 3.92Å; P278-F280 WeakPolarHBondContact O-CD2 3.47Å; P278-F280 WeakPolarHBondContact O-CE2 3.32Å
281E83.7Confident89.5Confident147 Ų14757.4 Ų57.469%0.68728%0.276SS*.  trans-82.7-35.9179.8-67.9165.5-178.300112.5K279K279-E281 HydrophobicContact CB-CG 4.01Å; K279-E281 PolarHBondContact O-N 3.1Å
282K87.4Confident89.2Confident109 Ų10958.2 Ų58.247%0.47429%0.286SS..SBendtrans-94.7151.5179.8-65.8178.3177.6174.90110.3E179 I276E179-K282 IonicContact OE1-NZ 2.8Å; E179-K282 PolarHBondContact OE1-NZ 3.03Å; E179-K282 IonicContact OE2-NZ 2.71Å; E179-K282 PolarHBondContact OE2-NZ 3.06Å; I276-K282 HydrophobicContact CB-CB 4.48Å; I276-K282 HydrophobicContact CD1-CB 3.87Å; I276-K282 PolarHBondContact N-O 3.03Å
283Q90.6Very high88.9Confident73 Ų7360 Ų6034%0.34130%0.297SS..EExtended strand (participates in β ladder)trans-112.9149.5175.7-58.4-67.5-41.900109.8L273 C274L273-Q283 HydrophobicContact CD2-CB 4.13Å; C274-Q283 VanDerWaalsContact C-OE1 3.26Å
284Q93.5Very high88.6Confident0 Ų058.6 Ų58.60%029%0.292CS..EExtended strand (participates in β ladder)trans-122.1155.1168.367.9-176.7-54.700110.5I204 F251 L273 C274 I276 V286I204-Q284 PolarHBondContact O-NE2 2.82Å; I204-Q284 PolarHBondContact O-OE1 2.74Å; F251-Q284 HydrophobicContact CD1-CB 4.22Å; F251-Q284 WeakPolarHBondContact O-CA 3.37Å; L273-Q284 WeakPolarHBondContact CA-O 3.4Å; C274-Q284 HydrophobicContact CB-CG 4.13Å; C274-Q284 PolarHBondContact N-O 3.19Å; C274-Q284 WeakPolarHBondContact O-CG 3.48Å; C274-Q284 PolarHBondContact O-N 2.94Å; I276-Q284 HydrophobicContact CD1-CB 3.97Å; I276-Q284 HydrophobicContact CG1-CB 3.95Å; I276-Q284 HydrophobicContact CG1-CG 4.08Å; Q284-V286 HydrophobicContact CG-CG1 3.89Å
285A95.2Very high88.3Confident0 Ų064.5 Ų64.50%033%0.334CS..EExtended strand (participates in β ladder)trans-81.6129.3174.700000109.7I239 I250 F251 V252 Y271 K272 V288I239-A285 HydrophobicContact CD1-CB 3.69Å; I250-A285 HydrophobicContact CG2-CB 3.91Å; I250-A285 VanDerWaalsContact CG2-N 3.3Å; F251-A285 PolarHBondContact O-N 2.79Å; V252-A285 HydrophobicContact CB-CB 4.22Å; Y271-A285 HydrophobicContact CD2-CB 3.71Å; Y271-A285 HydrophobicContact CE2-CB 4.42Å; Y271-A285 HydrophobicContact CG-CB 3.99Å; K272-A285 CarbonylContact O-C 3.55Å; K272-A285 WeakPolarHBondContact O-CA 2.97Å; A285-V288 HydrophobicContact CB-CG2 3.82Å
286V94.5Very high88Confident0 Ų066.7 Ų66.70%036%0.364CS..EExtended strand (participates in β ladder)trans-130.8156.4179.4-52.10000110.2R209 A217 D256 K272 C274 Q284 V288R209-V286 VanDerWaalsContact NH1-CG1 3.33Å; R209-V286 VanDerWaalsContact NH2-CG1 3.29Å; A217-V286 HydrophobicContact CB-CG2 3.63Å; D256-V286 WeakPolarHBondContact OD1-CB 3.33Å; K272-V286 HydrophobicContact CB-CG2 3.95Å; K272-V286 PolarHBondContact N-O 3.19Å; K272-V286 PolarHBondContact O-N 2.87Å; C274-V286 HydrophobicContact CB-CB 4.48Å; C274-V286 HydrophobicContact CB-CG1 3.52Å; C274-V286 HydrophobicContact CB-CG2 4.07Å; Q284-V286 HydrophobicContact CG-CG1 3.89Å; V286-V288 PolarHBondContact O-N 3.04Å
287H93.4Very high87.8Confident34 Ų3468.2 Ų68.216%0.15737%0.374CS..EExtended strand (participates in β ladder)trans51.346.6-175.6-51.7135.9000111.9D256 E258 I289D256-H287 PolarHBondContact O-N 2.82Å; E258-H287 IonicContact OE1-CD2 3.5Å; H287-I289 PolarHBondContact O-N 2.96Å
288V95.4Very high88.1Confident2 Ų273 Ų731%0.01240%0.397CS..EExtended strand (participates in β ladder)trans-76.1118.9-176.1-176.10000108.9I239 V252 D256 E258 V269 V270 A285 V286I239-V288 HydrophobicContact CD1-CG1 3.81Å; I239-V288 HydrophobicContact CD1-CG2 4.05Å; V252-V288 HydrophobicContact CB-CG2 4.49Å; V252-V288 HydrophobicContact CG2-CB 4.35Å; V252-V288 HydrophobicContact CG2-CG2 3.63Å; D256-V288 PolarHBondContact O-N 3.33Å; E258-V288 PolarHBondContact N-O 2.84Å; V269-V288 HydrophobicContact CB-CG1 3.93Å; V269-V288 HydrophobicContact CG1-CG1 3.83Å; V270-V288 CarbonylContact O-C 3.54Å; V270-V288 WeakPolarHBondContact O-CA 3.15Å; A285-V288 HydrophobicContact CB-CG2 3.82Å; V286-V288 PolarHBondContact O-N 3.04Å
289I95.5Very high88.7Confident70 Ų7068.8 Ų68.836%0.35937%0.367SS..EExtended strand (participates in β ladder)trans-115.8123.6179.9-61.1166.1000108E258 V269 V270 H287 R291E258-I289 HydrophobicContact CB-CG1 3.97Å; E258-I289 HydrophobicContact CG-CG1 4.06Å; V269-I289 WeakPolarHBondContact CA-O 3.19Å; V270-I289 PolarHBondContact N-O 2.96Å; V270-I289 PolarHBondContact O-N 2.8Å; H287-I289 PolarHBondContact O-N 2.96Å; I289-R291 PolarHBondContact O-N 2.86Å
290L93.6Very high89.1Confident30 Ų3063.5 Ų63.516%0.15735%0.345CS..EExtended strand (participates in β ladder)trans-67.7122.2170.6-66.2164.8000109.5P263 D267 V269 L293P263-L290 HydrophobicContact CB-CD2 4.3Å; D267-L290 HydrophobicContact CB-CD2 3.63Å; V269-L290 HydrophobicContact CG1-CD2 3.63Å; V269-L290 HydrophobicContact CG1-CG 4.44Å; L290-L293 HydrophobicContact CB-CD2 4.31Å; L290-L293 HydrophobicContact CD1-CD2 4.3Å
291R91.8Very high89.3Confident166 Ų16662.2 Ų62.263%0.62634%0.337SS*.EExtended strand (participates in β ladder)trans-103.9-35.2178.7-74.3-61.9-173.2174.2-1.8113E268 V270 I289E268-R291 HydrophobicContact CG-CB 4.37Å; E268-R291 PolarHBondContact O-N 2.9Å; V270-R291 HydrophobicContact CB-CG 4.2Å; V270-R291 HydrophobicContact CG2-CG 3.56Å; I289-R291 PolarHBondContact O-N 2.86Å
292G89Confident89.3Confident22 Ų2258.2 Ų58.223%0.22732%0.316CS..EExtended strand (participates in β ladder)trans-141.5124.5-179.700000109.8D267 E268D267-G292 CarbonylContact C-O 3.5Å; D267-G292 WeakPolarHBondContact CA-O 3.2Å; E268-G292 PolarHBondContact N-O 3.02Å; E268-G292 PolarHBondContact O-N 3.47Å
293L90.3Very high89Confident79 Ų7958.1 Ų58.141%0.41432%0.32SS..PPolyproline II helixtrans-84.4136.7177.4-59.9-174.8000109.7D267 L290 S295 H299D267-L293 WeakPolarHBondContact OD1-CA 3.23Å; L290-L293 HydrophobicContact CB-CD2 4.31Å; L290-L293 HydrophobicContact CD1-CD2 4.3Å; L293-S295 PolarHBondContact O-N 2.69Å; L293-H299 HydrophobicContact CD1-CB 4.33Å
294A88.1Confident88.6Confident18 Ų1858.7 Ų58.715%0.14932%0.323CS..PPolyproline II helixtrans-58.3127.8-179.300000111D267 G296 V297 H299D267-A294 WeakPolarHBondContact OD1-CB 3.47Å; D267-A294 PolarHBondContact OD1-N 2.9Å; A294-G296 PolarHBondContact O-N 3.15Å; A294-V297 HydrophobicContact CB-CB 4.39Å; A294-V297 HydrophobicContact CB-CG2 3.98Å; A294-V297 PolarHBondContact O-N 3.03Å; A294-H299 PolarHBondContact N-CE1 3.46Å; A294-H299 PolarHBondContact O-CE1 2.84Å
295S85.2Confident87.7Confident125 Ų12562.3 Ų62.387%0.87435%0.346SS*.THydrogen-bonded Turntrans-67.3134.3178.7-68.90000111L293 V297L293-S295 PolarHBondContact O-N 2.69Å; S295-V297 VanDerWaalsContact C-N 3.34Å
296G83.2Confident86.4Confident89 Ų8966.3 Ų66.392%0.91837%0.367SS*.THydrogen-bonded Turntrans86-1.4179.700000115.1A294A294-G296 PolarHBondContact O-N 3.15Å
297V82.2Confident84.7Confident56 Ų5673.5 Ų73.534%0.33940%0.395SS..  trans-100.6127.8173.9-176.70000109.9H264 A294 S295 H299H264-V297 HydrophobicContact CB-CG1 3.88Å; A294-V297 HydrophobicContact CB-CB 4.39Å; A294-V297 HydrophobicContact CB-CG2 3.98Å; A294-V297 PolarHBondContact O-N 3.03Å; S295-V297 VanDerWaalsContact C-N 3.34Å; V297-H299 PolarHBondContact O-N 2.85Å; V297-H299 PolarHBondContact O-ND1 3.4Å
298L83.4Confident82.8Confident139 Ų13976.8 Ų76.873%0.72842%0.42SS*.  trans-75.7102.6170.7-178.969.3000108.6E300L298-E300 PolarHBondContact O-N 3.2Å
299H85.5Confident80.6Confident25 Ų2584.9 Ų84.912%0.11646%0.457CS..PPolyproline II helixtrans-74.4125.4-179.5-73.769.1000111.2Y261 H264 D267 L293 A294 V297Y261-H299 HydrophobicContact CD1-CB 3.86Å; Y261-H299 HydrophobicContact CE1-CB 4.3Å; H264-H299 AromaticContact CD2-CD2 3.79Å; D267-H299 VanDerWaalsContact CG-NE2 3.35Å; D267-H299 IonicContact OD1-CD2 3.83Å; D267-H299 IonicContact OD1-CE1 3.71Å; D267-H299 IonicContact OD1-NE2 2.99Å; D267-H299 PolarHBondContact OD1-NE2 2.78Å; D267-H299 IonicContact OD2-CD2 3.94Å; D267-H299 IonicContact OD2-NE2 3.71Å; D267-H299 PolarHBondContact OD2-NE2 3.47Å; L293-H299 HydrophobicContact CD1-CB 4.33Å; A294-H299 PolarHBondContact N-CE1 3.46Å; A294-H299 PolarHBondContact O-CE1 2.84Å; V297-H299 PolarHBondContact O-N 2.85Å; V297-H299 PolarHBondContact O-ND1 3.4Å
300E86.9Confident78.3Confident40 Ų4087.1 Ų87.119%0.18746%0.464CS..PPolyproline II helixtrans-87.5147.8175.1-60.5-175.216500110.1R232 V262 L298 K310R232-E300 IonicContact NH1-OE2 3.99Å; V262-E300 HydrophobicContact CG2-CB 4.29Å; V262-E300 WeakPolarHBondContact CG2-O 3.39Å; V262-E300 PolarHBondContact N-O 2.97Å; L298-E300 PolarHBondContact O-N 3.2Å; E300-K310 IonicContact OE1-NZ 2.9Å; E300-K310 PolarHBondContact OE1-NZ 3.37Å
301R86.3Confident75.9Confident82 Ų8291.4 Ų91.431%0.30948%0.483SS..BIsolated β-bridgetrans-93153171.9-68.5178.879.1-145.99.1110.3D260 Y261 D303 Q304D260-R301 CarbonylContact O-C 3.55Å; D260-R301 WeakPolarHBondContact O-CA 3.28Å; D260-R301 WeakPolarHBondContact O-CB 3.47Å; D260-R301 IonicContact OD2-CZ 3.45Å; D260-R301 IonicContact OD2-NE 2.89Å; D260-R301 IonicContact OD2-NH2 3.39Å; D260-R301 PolarHBondContact OD2-NH2 3.27Å; Y261-R301 HydrophobicContact CD1-CG 3.85Å; Y261-R301 HydrophobicContact CE1-CG 3.66Å; R301-D303 WeakPolarHBondContact CB-OD1 3.46Å; R301-D303 IonicContact CZ-OD2 3.48Å; R301-D303 IonicContact NH1-OD1 3.98Å; R301-D303 IonicContact NH1-OD2 3.28Å; R301-D303 PolarHBondContact NH1-OD2 2.88Å; R301-D303 PolarHBondContact O-N 2.85Å; R301-D303 VanDerWaalsContact O-N 3.16Å; R301-Q304 HydrophobicContact CB-CG 4.26Å; R301-Q304 VanDerWaalsContact N-OE1 3.11Å; R301-Q304 WeakPolarHBondContact O-CB 3.49Å; R301-Q304 PolarHBondContact O-N 2.71Å; R301-Q304 VanDerWaalsContact O-N 3.11Å
302W84.4Confident73.4Confident63 Ų6388.4 Ų88.424%0.23949%0.485CS..THydrogen-bonded Turntrans-59.9-26.7179.3-61117.9000113.8F230 R232 I254 V257 G259 D260 Y261 V262 P263 Q304F230-W302 HydrophobicContact CD1-CH2 4.49Å; F230-W302 AromaticContact CE1-CH2 3.53Å; F230-W302 HydrophobicContact CE1-CH2 3.53Å; F230-W302 HydrophobicContact CE1-CZ3 4.06Å; F230-W302 AromaticContact CZ-CH2 3.75Å; F230-W302 HydrophobicContact CZ-CH2 3.75Å; R232-W302 HydrophobicContact CG-CZ3 4.17Å; R232-W302 PolarHBondContact NH2-O 3.33Å; I254-W302 HydrophobicContact CD1-CE3 3.87Å; I254-W302 HydrophobicContact CD1-CH2 3.78Å; I254-W302 HydrophobicContact CD1-CZ3 3.35Å; I254-W302 HydrophobicContact CG1-CE3 4.48Å; I254-W302 HydrophobicContact CG1-CH2 3.71Å; I254-W302 HydrophobicContact CG1-CZ2 4.23Å; I254-W302 HydrophobicContact CG1-CZ3 3.85Å; V257-W302 HydrophobicContact CB-CZ2 4.35Å; V257-W302 HydrophobicContact CG1-CZ2 4.09Å; G259-W302 VanDerWaalsContact O-CD1 3.22Å; G259-W302 PolarHBondContact O-NE1 3.28Å; G259-W302 VanDerWaalsContact O-NE1 3.09Å; D260-W302 PolarHBondContact O-N 3.45Å; Y261-W302 WeakPolarHBondContact O-CZ2 3.34Å; Y261-W302 PolarHBondContact O-NE1 3.21Å; Y261-W302 VanDerWaalsContact O-NE1 3.12Å; V262-W302 HydrophobicContact CB-CE3 4.42Å; V262-W302 HydrophobicContact CB-CH2 4.2Å; V262-W302 HydrophobicContact CB-CZ3 4.15Å; V262-W302 HydrophobicContact CG1-CH2 3.96Å; V262-W302 HydrophobicContact CG1-CZ3 3.91Å; V262-W302 HydrophobicContact CG2-CD2 3.92Å; V262-W302 HydrophobicContact CG2-CE3 3.57Å; V262-W302 HydrophobicContact CG2-CH2 4.22Å; V262-W302 HydrophobicContact CG2-CZ3 3.72Å; P263-W302 VanDerWaalsContact CD-CZ2 3.43Å; P263-W302 HydrophobicContact CG-CZ2 4.48Å; W302-Q304 VanDerWaalsContact C-N 3.34Å
303D82.2Confident71.3Confident108 Ų10894.6 Ų94.658%0.57851%0.513SS*.THydrogen-bonded Turntrans-80-11-179.964.2-11.2000113.9R301R301-D303 WeakPolarHBondContact CB-OD1 3.46Å; R301-D303 IonicContact CZ-OD2 3.48Å; R301-D303 IonicContact NH1-OD1 3.98Å; R301-D303 IonicContact NH1-OD2 3.28Å; R301-D303 PolarHBondContact NH1-OD2 2.88Å; R301-D303 PolarHBondContact O-N 2.85Å; R301-D303 VanDerWaalsContact O-N 3.16Å
304Q80.5Confident68.8Low84 Ų8496.7 Ų96.739%0.39352%0.519SS..SBendtrans-79.8139.3178.4-66.8177.5-25.400110.9R232 R301 W302R232-Q304 VanDerWaalsContact CZ-O 3.28Å; R232-Q304 PolarHBondContact NH1-O 3.19Å; R232-Q304 VanDerWaalsContact NH1-O 3.08Å; R232-Q304 PolarHBondContact NH2-O 2.85Å; R301-Q304 HydrophobicContact CB-CG 4.26Å; R301-Q304 VanDerWaalsContact N-OE1 3.11Å; R301-Q304 WeakPolarHBondContact O-CB 3.49Å; R301-Q304 PolarHBondContact O-N 2.71Å; R301-Q304 VanDerWaalsContact O-N 3.11Å; W302-Q304 VanDerWaalsContact C-N 3.34Å
305P75.1Confident66.4Low76 Ų7699 Ų9949%0.49453%0.533SS..  trans-60.9145.6178.823.7-32.8000112.3Y307P305-Y307 HydrophobicContact CG-CE1 4.34Å; P305-Y307 HydrophobicContact CG-CE2 3.82Å; P305-Y307 WeakPolarHBondContact CG-OH 3.25Å; P305-Y307 WeakPolarHBondContact O-CD2 2.96Å; P305-Y307 PolarHBondContact O-N 2.82Å
306I67.8Low65.4Low85 Ų8597.7 Ų97.744%0.43652%0.516SS..  trans-78.2114.8172.4-58.2175.2000107.4R232 E233R232-I306 HydrophobicContact CG-CD1 4.25Å; E233-I306 HydrophobicContact CG-CD1 4.46Å; E233-I306 HydrophobicContact CG-CG2 4.13Å
307Y59.8Low64.5Low150 Ų15098.1 Ų98.159%0.58850%0.495SS*.  trans-92118.4174.5-63.4-80.1000109.2P305 H309P305-Y307 HydrophobicContact CG-CE1 4.34Å; P305-Y307 HydrophobicContact CG-CE2 3.82Å; P305-Y307 WeakPolarHBondContact CG-OH 3.25Å; P305-Y307 WeakPolarHBondContact O-CD2 2.96Å; P305-Y307 PolarHBondContact O-N 2.82Å; Y307-H309 PolarHBondContact O-N 3.24Å
308P53.6Low63.5Low104 Ų104100.4 Ų100.468%0.67550%0.503SS*.THydrogen-bonded Turntrans-67.613.6-169.524.7-33.6000116
309H48.3Very low62.4Low171 Ų17198.2 Ų98.279%0.79249%0.49SS*.THydrogen-bonded Turntrans-120.54.9-169.7-71.1-58.7000115.8Y307Y307-H309 PolarHBondContact O-N 3.24Å
310K47.1Very low60.9Low118 Ų118102.8 Ų102.851%0.51351%0.513SS..SBendtrans-94-19.1-174.4-81.8-171.2-176.1175.60116.6E300E300-K310 IonicContact OE1-NZ 2.9Å; E300-K310 PolarHBondContact OE1-NZ 3.37Å
311H43.6Very low59.2Low119 Ų119106.9 Ų106.955%0.55154%0.535SS*.  trans-153.180.3-179.8-86.3-60.2000113D313 K314H311-D313 PolarHBondContact O-N 3.12Å; H311-K314 HydrophobicContact CB-CB 4.18Å
312P38.5Very low57.2Low104 Ų104108.7 Ų108.768%0.67555%0.551SS**THydrogen-bonded Turntrans-69.1-21.1174.726.3-31.6000113.5
313D44.8Very low55.2Low152 Ų152112.2 Ų112.281%0.81358%0.575SS**THydrogen-bonded Turntrans-115.87.9-172.2-59.4-43.6000114.2H311H311-D313 PolarHBondContact O-N 3.12Å
314K39.1Very low52.9Low123 Ų123112.6 Ų112.654%0.53558%0.575SS.*THydrogen-bonded Turntrans-123.9-2.6-179.1-68.6-162.9177.4-168.30115Y229 H311Y229-K314 WeakPolarHBondContact CE2-O 3.46Å; Y229-K314 PolarHBondContact OH-O 2.71Å; H311-K314 HydrophobicContact CB-CB 4.18Å
315C36.7Very low50.4Low65 Ų65115.2 Ų115.244%0.43959%0.592SS.*  trans-117.80155.6-68.70000105.3C231 R234C231-C315 HydrophobicContact CB-CB 4.47Å; C231-C315 WeakPolarHBondContact CB-SG 3.45Å; C231-C315 WeakPolarHBondContact SG-CB 3.28Å; C231-C315 CovalentContact SG-SG 2.08Å; C231-C315 PolarHBondContact SG-SG 3.16Å; R234-C315 PolarHBondContact NH1-O 2.71Å; R234-C315 PolarHBondContact NH2-O 3.17Å

Retrieved 315 of 315 residues in 86.1 ms (Link to these results)

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