A0A096N409_PAPAN Loading...

Cellular retinoic acid binding protein 2

AlphaFold DB (G7NV96), UniProt , Accession A0A096N409, Species PAPAN (Papio anubis, Olive baboon), Gene CRABP2, Length 138 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
1M69.1Low93.6Very high165 Ų16558.9 Ų58.981%0.81331%0.31SS*.  0116.40-78.6-175.9-165.300108.4E91M1-E91 PolarHBondContact N-OE1 2.83Å; M1-E91 VanDerWaalsContact N-OE1 3.13Å
2P85.8Confident93.9Very high14 Ų1463.8 Ų63.89%0.09132%0.321CS..  trans-61.2148.1173.930.5-40.3000110.2F4 Q46 W88 E91 N92 L114P2-F4 HydrophobicContact CB-CD2 4.22Å; P2-F4 HydrophobicContact CB-CE2 3.8Å; P2-F4 HydrophobicContact CG-CD2 4.12Å; P2-F4 HydrophobicContact CG-CE2 3.46Å; P2-F4 VanDerWaalsContact CG-CE2 3.46Å; P2-F4 HydrophobicContact CG-CZ 4.33Å; P2-Q46 PolarHBondContact O-NE2 2.85Å; P2-Q46 PolarHBondContact O-OE1 3.33Å; P2-W88 HydrophobicContact CG-CH2 4.22Å; P2-W88 HydrophobicContact CG-CZ3 4.27Å; P2-E91 WeakPolarHBondContact CD-O 3.43Å; P2-E91 WeakPolarHBondContact CG-O 3.39Å; P2-N92 WeakPolarHBondContact CB-OD1 3.42Å; P2-L114 HydrophobicContact CB-CD2 3.98Å
3N94.1Very high94.1Very high88 Ų8863.3 Ų63.347%0.47133%0.327SS..  trans-105.1110.4170.7-179.76.4000108.2S5 R137N3-S5 WeakPolarHBondContact OD1-CB 3.05Å; N3-S5 PolarHBondContact OD1-N 3.28Å; N3-S5 PolarHBondContact OD1-OG 2.85Å; N3-R137 PolarHBondContact O-NH2 3.24Å
4F97.9Very high94.4Very high1 Ų165.8 Ų65.80%0.00434%0.337CS..  trans-87-9.1174.9-70.9-97.8000113P2 G6 W8 I44 F51 W88 N92 M94 R112 L114 L120P2-F4 HydrophobicContact CB-CD2 4.22Å; P2-F4 HydrophobicContact CB-CE2 3.8Å; P2-F4 HydrophobicContact CG-CD2 4.12Å; P2-F4 HydrophobicContact CG-CE2 3.46Å; P2-F4 VanDerWaalsContact CG-CE2 3.46Å; P2-F4 HydrophobicContact CG-CZ 4.33Å; F4-G6 PolarHBondContact O-N 3.41Å; F4-W8 PolarHBondContact O-NE1 3.47Å; F4-I44 HydrophobicContact CB-CD1 4.44Å; F4-I44 HydrophobicContact CB-CG2 3.94Å; F4-I44 WeakPolarHBondContact O-CB 3.32Å; F4-F51 HydrophobicContact CB-CE1 4.06Å; F4-F51 HydrophobicContact CD2-CE1 4Å; F4-F51 HydrophobicContact CD2-CZ 4.26Å; F4-F51 HydrophobicContact CG-CE1 4.22Å; F4-W88 HydrophobicContact CD2-CH2 4.31Å; F4-W88 AromaticContact CE2-CH2 3.7Å; F4-W88 HydrophobicContact CE2-CH2 3.7Å; F4-W88 AromaticContact CE2-CZ3 3.77Å; F4-W88 HydrophobicContact CE2-CZ3 3.77Å; F4-W88 HydrophobicContact CZ-CZ3 4.25Å; F4-N92 WeakPolarHBondContact CZ-O 3.38Å; F4-M94 HydrophobicContact CD2-CE 4.01Å; F4-M94 HydrophobicContact CE1-CE 4.31Å; F4-M94 HydrophobicContact CE2-CE 3.76Å; F4-M94 HydrophobicContact CG-CE 4.38Å; F4-M94 HydrophobicContact CZ-CE 3.92Å; F4-R112 HydrophobicContact CE1-CB 4.26Å; F4-L114 HydrophobicContact CD1-CB 4.4Å; F4-L114 HydrophobicContact CE1-CB 3.85Å; F4-L114 HydrophobicContact CZ-CB 3.99Å; F4-L120 HydrophobicContact CD1-CD1 3.73Å; F4-L120 HydrophobicContact CE1-CD1 3.77Å
5S98.3Very high94.6Very high30 Ų3067.5 Ų67.521%0.2135%0.347CS..  trans-60133.6-174.4-55.20000111.5N3 I44 Q46 R137N3-S5 WeakPolarHBondContact OD1-CB 3.05Å; N3-S5 PolarHBondContact OD1-N 3.28Å; N3-S5 PolarHBondContact OD1-OG 2.85Å; S5-I44 CarbonylContact C-O 3.55Å; S5-I44 WeakPolarHBondContact CA-O 3.5Å; S5-Q46 WeakPolarHBondContact OG-CB 3.35Å; S5-Q46 PolarHBondContact OG-N 3.04Å; S5-R137 PolarHBondContact O-NH1 3.24Å; S5-R137 PolarHBondContact O-NH2 3.05Å
6G97.9Very high94.7Very high22 Ų2264.6 Ų64.623%0.22733%0.331CS..EExtended strand (participates in β ladder)trans156171.8178.800000112.6F4 W8 I44F4-G6 PolarHBondContact O-N 3.41Å; G6-W8 VanDerWaalsContact O-CD1 3.27Å; G6-I44 PolarHBondContact N-O 2.83Å; G6-I44 PolarHBondContact O-N 2.85Å
7N98.3Very high94.9Very high85 Ų8563.8 Ų63.846%0.45533%0.326SS..EExtended strand (participates in β ladder)trans-92.5132.6165.3-62.4-53.7000108V42 R137 E138N7-V42 CarbonylContact C-O 3.41Å; N7-V42 WeakPolarHBondContact CA-O 3.39Å; N7-R137 CarbonylContact O-C 3.55Å; N7-R137 WeakPolarHBondContact O-CA 3.48Å; N7-E138 HydrophobicContact CB-CB 4.18Å; N7-E138 PolarHBondContact O-N 3.13Å
8W98.3Very high95Very high3 Ų364.3 Ų64.31%0.01133%0.329CS..EExtended strand (participates in β ladder)trans-125.6126.4-169.6-6895.6000109.6F4 G6 V42 L114 G118 L120 Y135 V136 R137F4-W8 PolarHBondContact O-NE1 3.47Å; G6-W8 VanDerWaalsContact O-CD1 3.27Å; W8-V42 HydrophobicContact CB-CB 4Å; W8-V42 HydrophobicContact CB-CG1 4.28Å; W8-V42 PolarHBondContact N-O 3.02Å; W8-V42 PolarHBondContact O-N 2.92Å; W8-L114 HydrophobicContact CH2-CD1 3.53Å; W8-L114 HydrophobicContact CZ2-CD1 4.04Å; W8-G118 WeakPolarHBondContact CZ3-O 3.36Å; W8-L120 HydrophobicContact CB-CD2 4.49Å; W8-L120 HydrophobicContact CD2-CB 3.92Å; W8-L120 HydrophobicContact CD2-CD2 3.66Å; W8-L120 HydrophobicContact CD2-CG 4.46Å; W8-L120 HydrophobicContact CE3-CB 3.48Å; W8-L120 VanDerWaalsContact CE3-CB 3.48Å; W8-L120 HydrophobicContact CE3-CD2 4.11Å; W8-L120 HydrophobicContact CE3-CG 4.46Å; W8-L120 HydrophobicContact CG-CD2 3.84Å; W8-L120 HydrophobicContact CH2-CB 3.69Å; W8-L120 HydrophobicContact CZ2-CB 4.09Å; W8-L120 HydrophobicContact CZ2-CD2 4.29Å; W8-L120 HydrophobicContact CZ3-CB 3.37Å; W8-Y135 HydrophobicContact CB-CD1 4.24Å; W8-Y135 HydrophobicContact CB-CG 4.42Å; W8-V136 WeakPolarHBondContact CA-O 3.47Å; W8-V136 VanDerWaalsContact CE3-C 3.41Å; W8-R137 HydrophobicContact CD2-CG 4.03Å; W8-R137 HydrophobicContact CE3-CG 3.81Å; W8-R137 HydrophobicContact CH2-CG 3.45Å; W8-R137 VanDerWaalsContact CH2-CG 3.45Å; W8-R137 HydrophobicContact CZ2-CG 3.69Å; W8-R137 HydrophobicContact CZ3-CB 4.47Å; W8-R137 HydrophobicContact CZ3-CG 3.51Å
9K96.1Very high95.2Very high129 Ų12960.9 Ų60.956%0.56131%0.312SS*.EExtended strand (participates in β ladder)trans-109.3131.8178.5-178.2-180176.7-177.50110Y135 V136K9-Y135 CarbonylContact O-C 3.58Å; K9-Y135 WeakPolarHBondContact O-CA 3.29Å; K9-V136 PolarHBondContact N-O 3.22Å; K9-V136 PolarHBondContact O-N 2.74Å
10I97Very high95.3Very high19 Ų1958.2 Ų58.210%0.09730%0.298CS..EExtended strand (participates in β ladder)trans-67.2140.8178.7-155168.3000111.1R12 S38 P40 R133 V134 Y135I10-R12 WeakPolarHBondContact CG1-O 2.91Å; I10-S38 WeakPolarHBondContact CG2-O 3.45Å; I10-P40 HydrophobicContact CB-CG 4.35Å; I10-P40 HydrophobicContact CD1-CG 4.15Å; I10-R133 HydrophobicContact CD1-CB 4.06Å; I10-R133 HydrophobicContact CD1-CG 4.01Å; I10-V134 WeakPolarHBondContact CA-O 3.31Å; I10-V134 WeakPolarHBondContact CG1-O 3.37Å; I10-Y135 HydrophobicContact CB-CD1 3.91Å; I10-Y135 HydrophobicContact CB-CE1 3.78Å; I10-Y135 HydrophobicContact CD1-CE1 4.28Å; I10-Y135 HydrophobicContact CG1-CD1 4.26Å; I10-Y135 HydrophobicContact CG1-CE1 3.99Å
11I96.8Very high95.4Very high92 Ų9261.3 Ų61.347%0.47231%0.309SS..EExtended strand (participates in β ladder)trans-123.1-23.5173.256.3159000112.7V134 V136I11-V134 HydrophobicContact CD1-CB 4.48Å; I11-V134 HydrophobicContact CD1-CG1 3.94Å; I11-V134 HydrophobicContact CG1-CB 4.1Å; I11-V134 HydrophobicContact CG1-CG1 4Å; I11-V134 WeakPolarHBondContact CG1-O 3.28Å; I11-V134 PolarHBondContact N-O 2.99Å; I11-V136 HydrophobicContact CD1-CG1 3.7Å; I11-V136 HydrophobicContact CG1-CG1 4.23Å; I11-V136 HydrophobicContact CG2-CG1 4.14Å; I11-V136 HydrophobicContact CG2-CG2 3.69Å
12R96.8Very high96.7Very high118 Ų11856.1 Ų56.145%0.44529%0.287SS..EExtended strand (participates in β ladder)trans-143.5141.8178.2-169167.372.5-147.61.1110.5I10 E14 R133 V134I10-R12 WeakPolarHBondContact CG1-O 2.91Å; R12-E14 VanDerWaalsContact CD-OE1 3.28Å; R12-E14 WeakPolarHBondContact CD-OE1 3.35Å; R12-E14 HydrophobicContact CG-CG 4.29Å; R12-E14 IonicContact NE-OE1 2.68Å; R12-R133 CarbonylContact O-C 3.59Å; R12-R133 VanDerWaalsContact O-CA 3.3Å; R12-R133 WeakPolarHBondContact O-CA 3.26Å; R12-V134 HydrophobicContact CB-CB 4.02Å; R12-V134 HydrophobicContact CB-CG2 4.18Å; R12-V134 PolarHBondContact N-O 3.48Å; R12-V134 PolarHBondContact O-N 2.73Å
13S97.1Very high97.3Very high57 Ų5756.2 Ų56.240%0.39929%0.286SS..EExtended strand (participates in β ladder)trans-146.4124.4173.2-177.70000109.6T132 R133S13-T132 WeakPolarHBondContact CA-O 3.4Å; S13-R133 PolarHBondContact OG-NE 3.41Å
14E97.9Very high97.3Very high98 Ų9855.2 Ų55.246%0.45830%0.296SS..EExtended strand (participates in β ladder)trans-126.7143.9-176.5-66.7173-175.300110R12 F16 C131 T132R12-E14 VanDerWaalsContact CD-OE1 3.28Å; R12-E14 WeakPolarHBondContact CD-OE1 3.35Å; R12-E14 HydrophobicContact CG-CG 4.29Å; R12-E14 IonicContact NE-OE1 2.68Å; E14-F16 PolarHBondContact O-N 2.68Å; E14-C131 WeakPolarHBondContact O-CA 3.3Å; E14-C131 PolarHBondContact O-SG 3.31Å; E14-T132 PolarHBondContact N-O 2.74Å; E14-T132 PolarHBondContact O-N 3.05Å
15N97.4Very high97.2Very high92 Ų9256.5 Ų56.549%0.49230%0.304SS..SBendtrans56.317174.8-73.93.3000117.6E17 D18 L19 V130N15-E17 VanDerWaalsContact C-N 3.33Å; N15-E17 PolarHBondContact O-N 2.85Å; N15-D18 PolarHBondContact O-N 2.94Å; N15-L19 PolarHBondContact O-N 2.91Å; N15-V130 WeakPolarHBondContact CB-O 3.2Å; N15-V130 PolarHBondContact ND2-O 2.88Å
16F97.1Very high97.1Very high20 Ų2059.1 Ų59.19%0.08832%0.316CS..Hα-helixtrans-63.2-37.9179.9-174.8-119.1000113E14 L19 L20 A33 V34 A37 V77 M124 C131 R133E14-F16 PolarHBondContact O-N 2.68Å; F16-L19 HydrophobicContact CD2-CD2 4.49Å; F16-L20 HydrophobicContact CD1-CD1 4.23Å; F16-L20 HydrophobicContact CE1-CD1 3.79Å; F16-L20 HydrophobicContact CE1-CG 4.49Å; F16-L20 HydrophobicContact CE2-CD2 4.48Å; F16-L20 HydrophobicContact CE2-CG 4.48Å; F16-L20 HydrophobicContact CZ-CD1 4Å; F16-L20 HydrophobicContact CZ-CD2 4.33Å; F16-L20 HydrophobicContact CZ-CG 4.32Å; F16-L20 WeakPolarHBondContact O-CG 3.4Å; F16-L20 PolarHBondContact O-N 3.03Å; F16-A33 HydrophobicContact CE1-CB 4.48Å; F16-V34 HydrophobicContact CD1-CG2 3.97Å; F16-A37 HydrophobicContact CE1-CB 3.88Å; F16-A37 HydrophobicContact CZ-CB 4.24Å; F16-V77 HydrophobicContact CE2-CG2 3.84Å; F16-V77 HydrophobicContact CZ-CG2 4.36Å; F16-M124 HydrophobicContact CD2-CE 3.98Å; F16-M124 HydrophobicContact CE2-CE 4.15Å; F16-C131 VanDerWaalsContact CA-SG 3.59Å; F16-R133 VanDerWaalsContact CE2-NH2 3.34Å; F16-R133 VanDerWaalsContact CZ-NH2 3.32Å
17E96.9Very high97Very high52 Ų5262.2 Ų62.224%0.24333%0.33CS..Hα-helixtrans-66.6-40.3177.1-170172.5172.400112.1N15 L20 K21 R30 K31 V34N15-E17 VanDerWaalsContact C-N 3.33Å; N15-E17 PolarHBondContact O-N 2.85Å; E17-L20 PolarHBondContact O-N 3.3Å; E17-K21 PolarHBondContact O-N 2.97Å; E17-R30 HydrophobicContact CG-CB 4.2Å; E17-R30 WeakPolarHBondContact O-CD 3.05Å; E17-R30 IonicContact OE1-NE 2.84Å; E17-K31 WeakPolarHBondContact OE1-CE 3.16Å; E17-K31 IonicContact OE1-NZ 2.74Å; E17-K31 PolarHBondContact OE1-NZ 2.92Å; E17-K31 IonicContact OE2-NZ 2.95Å; E17-K31 PolarHBondContact OE2-NZ 3.41Å; E17-V34 HydrophobicContact CB-CG2 3.83Å; E17-V34 HydrophobicContact CG-CG2 4.21Å
18D97.8Very high96.9Very high72 Ų7264.8 Ų64.839%0.38534%0.341SS..Hα-helixtrans-69.3-36.4179.9-70.2-44.2000112.1N15 L20 K21 V22 V129N15-D18 PolarHBondContact O-N 2.94Å; D18-L20 PolarHBondContact O-N 3.13Å; D18-K21 WeakPolarHBondContact O-CB 3.34Å; D18-K21 PolarHBondContact O-N 2.86Å; D18-K21 VanDerWaalsContact O-N 3.14Å; D18-V22 PolarHBondContact O-N 3.23Å; D18-V129 HydrophobicContact CB-CG1 4.31Å
19L98.3Very high96.7Very high1 Ų169 Ų691%0.00536%0.364CS..Hα-helixtrans-56.5-49.9171-174.279.9000110.9N15 F16 K21 V22 L23 V77 M124 A126 V129 C131N15-L19 PolarHBondContact O-N 2.91Å; F16-L19 HydrophobicContact CD2-CD2 4.49Å; L19-K21 PolarHBondContact O-N 3.06Å; L19-V22 PolarHBondContact O-N 2.84Å; L19-L23 HydrophobicContact CG-CD1 4.3Å; L19-L23 WeakPolarHBondContact O-CG 3.37Å; L19-L23 PolarHBondContact O-N 2.99Å; L19-L23 VanDerWaalsContact O-N 3.16Å; L19-V77 HydrophobicContact CD2-CG1 3.93Å; L19-M124 HydrophobicContact CD2-CB 3.8Å; L19-M124 HydrophobicContact CD2-CE 4.23Å; L19-M124 HydrophobicContact CD2-SD 4.42Å; L19-A126 HydrophobicContact CD1-CB 3.63Å; L19-A126 HydrophobicContact CG-CB 4.44Å; L19-V129 HydrophobicContact CB-CG1 4.32Å; L19-V129 HydrophobicContact CD1-CG1 4.37Å; L19-C131 HydrophobicContact CB-CB 4.03Å; L19-C131 HydrophobicContact CD1-CB 4.39Å; L19-C131 HydrophobicContact CD2-CB 3.86Å; L19-C131 HydrophobicContact CG-CB 4.32Å
20L97.1Very high96.7Very high6 Ų664.6 Ų64.63%0.03134%0.344CS..Hα-helixtrans-64.2-32177.8-63.7176.2000112.2F16 E17 D18 L23 G24 V25 R30 A33 V77F16-L20 HydrophobicContact CD1-CD1 4.23Å; F16-L20 HydrophobicContact CE1-CD1 3.79Å; F16-L20 HydrophobicContact CE1-CG 4.49Å; F16-L20 HydrophobicContact CE2-CD2 4.48Å; F16-L20 HydrophobicContact CE2-CG 4.48Å; F16-L20 HydrophobicContact CZ-CD1 4Å; F16-L20 HydrophobicContact CZ-CD2 4.33Å; F16-L20 HydrophobicContact CZ-CG 4.32Å; F16-L20 WeakPolarHBondContact O-CG 3.4Å; F16-L20 PolarHBondContact O-N 3.03Å; E17-L20 PolarHBondContact O-N 3.3Å; D18-L20 PolarHBondContact O-N 3.13Å; L20-L23 PolarHBondContact O-N 3.15Å; L20-G24 PolarHBondContact O-N 3.46Å; L20-V25 HydrophobicContact CB-CB 4.12Å; L20-V25 HydrophobicContact CB-CG2 4.15Å; L20-V25 HydrophobicContact CD2-CG2 4.28Å; L20-V25 VanDerWaalsContact O-CB 3.24Å; L20-V25 WeakPolarHBondContact O-CB 3.21Å; L20-V25 WeakPolarHBondContact O-CG2 3.29Å; L20-V25 PolarHBondContact O-N 2.91Å; L20-R30 HydrophobicContact CB-CG 3.78Å; L20-R30 HydrophobicContact CD1-CG 4.44Å; L20-A33 HydrophobicContact CD1-CB 3.65Å; L20-V77 HydrophobicContact CD2-CG1 4.45Å; L20-V77 HydrophobicContact CD2-CG2 4.42Å
21K97.3Very high96.6Very high124 Ų12469.1 Ų69.154%0.53936%0.362SS..Hα-helixtrans-65.6-45176.7-179.5-175.3171.6-170.70111.5E17 D18 L19 L23 G24E17-K21 PolarHBondContact O-N 2.97Å; D18-K21 WeakPolarHBondContact O-CB 3.34Å; D18-K21 PolarHBondContact O-N 2.86Å; D18-K21 VanDerWaalsContact O-N 3.14Å; L19-K21 PolarHBondContact O-N 3.06Å; K21-L23 VanDerWaalsContact C-N 3.26Å; K21-L23 PolarHBondContact O-N 2.87Å; K21-G24 PolarHBondContact O-N 2.69Å
22V97.4Very high96.5Very high56 Ų5668.7 Ų68.734%0.33936%0.36SS..Hα-helixtrans-64.4-34.1176.3169.90000111.7D18 L19 G24 P106 A126 V129D18-V22 PolarHBondContact O-N 3.23Å; L19-V22 PolarHBondContact O-N 2.84Å; V22-G24 PolarHBondContact O-N 2.85Å; V22-G24 VanDerWaalsContact O-N 3.12Å; V22-P106 HydrophobicContact CG1-CB 4.3Å; V22-P106 HydrophobicContact CG1-CG 4.05Å; V22-A126 HydrophobicContact CG1-CB 4.13Å; V22-V129 HydrophobicContact CG2-CB 4.14Å; V22-V129 HydrophobicContact CG2-CG2 3.52Å
23L96.6Very high96.3Very high16 Ų1664.5 Ų64.58%0.08435%0.351CS..THydrogen-bonded Turntrans-72.53.6173.4-65.3167.3000114L19 L20 K21 V25 V77 D78 P106 T108 A126L19-L23 HydrophobicContact CG-CD1 4.3Å; L19-L23 WeakPolarHBondContact O-CG 3.37Å; L19-L23 PolarHBondContact O-N 2.99Å; L19-L23 VanDerWaalsContact O-N 3.16Å; L20-L23 PolarHBondContact O-N 3.15Å; K21-L23 VanDerWaalsContact C-N 3.26Å; K21-L23 PolarHBondContact O-N 2.87Å; L23-V25 VanDerWaalsContact C-N 3.32Å; L23-V25 HydrophobicContact CB-CG2 4.48Å; L23-V25 PolarHBondContact O-N 2.84Å; L23-V77 HydrophobicContact CD1-CG1 3.15Å; L23-D78 HydrophobicContact CB-CB 4.07Å; L23-D78 HydrophobicContact CD1-CB 4.11Å; L23-P106 HydrophobicContact CD2-CB 4.19Å; L23-P106 HydrophobicContact CD2-CG 4.25Å; L23-T108 HydrophobicContact CD2-CG2 3.71Å; L23-A126 HydrophobicContact CD1-CB 4.39Å; L23-A126 HydrophobicContact CD2-CB 3.83Å; L23-A126 HydrophobicContact CG-CB 3.91Å
24G95.4Very high96.2Very high66 Ų6664.2 Ų64.268%0.6835%0.347SS*.THydrogen-bonded Turntrans79.110.1175.800000114.7L20 K21 V22 N26L20-G24 PolarHBondContact O-N 3.46Å; K21-G24 PolarHBondContact O-N 2.69Å; V22-G24 PolarHBondContact O-N 2.85Å; V22-G24 VanDerWaalsContact O-N 3.12Å; G24-N26 PolarHBondContact O-N 2.93Å
25V95.9Very high96Very high28 Ų2862.7 Ų62.717%0.1735%0.351CS..  trans-67.3127.6176.8-175.80000109.1L20 L23 L29 R30 D78L20-V25 HydrophobicContact CB-CB 4.12Å; L20-V25 HydrophobicContact CB-CG2 4.15Å; L20-V25 HydrophobicContact CD2-CG2 4.28Å; L20-V25 VanDerWaalsContact O-CB 3.24Å; L20-V25 WeakPolarHBondContact O-CB 3.21Å; L20-V25 WeakPolarHBondContact O-CG2 3.29Å; L20-V25 PolarHBondContact O-N 2.91Å; L23-V25 VanDerWaalsContact C-N 3.32Å; L23-V25 HydrophobicContact CB-CG2 4.48Å; L23-V25 PolarHBondContact O-N 2.84Å; V25-L29 HydrophobicContact CG1-CB 3.63Å; V25-R30 HydrophobicContact CB-CG 3.76Å; V25-R30 HydrophobicContact CG1-CG 3.63Å; V25-R30 WeakPolarHBondContact O-CD 3.46Å; V25-R30 WeakPolarHBondContact O-CG 3.31Å; V25-R30 PolarHBondContact O-NH1 2.63Å; V25-D78 HydrophobicContact CG2-CB 3.99Å
26N96.8Very high95.7Very high85 Ų8558.5 Ų58.546%0.45533%0.329SS..  trans-67.2157.5-178.773.261.9000112.7G24 M28 L29 R30G24-N26 PolarHBondContact O-N 2.93Å; N26-M28 VanDerWaalsContact C-N 3.31Å; N26-M28 PolarHBondContact O-N 2.97Å; N26-M28 PolarHBondContact OD1-N 3.1Å; N26-L29 VanDerWaalsContact ND2-CD1 3.31Å; N26-L29 WeakPolarHBondContact ND2-CD1 3.34Å; N26-L29 PolarHBondContact O-N 2.46Å; N26-L29 PolarHBondContact OD1-N 3.29Å; N26-R30 WeakPolarHBondContact O-CG 3.4Å; N26-R30 PolarHBondContact O-N 3.06Å
27V95.4Very high95.5Very high87 Ų8758 Ų5853%0.52733%0.328SS..Hα-helixtrans-55.5-40.4-171.464.60000113.9R30 K31V27-R30 PolarHBondContact O-N 2.8Å; V27-K31 WeakPolarHBondContact O-CG 3.46Å; V27-K31 PolarHBondContact O-N 2.66Å; V27-K31 VanDerWaalsContact O-N 3.14Å
28M95.8Very high95.2Very high139 Ų13958.9 Ų58.969%0.68534%0.34SS*.Hα-helixtrans-65.8-47.8-178.9-175.1178-178.300110.9N26 R30 K31 I32N26-M28 VanDerWaalsContact C-N 3.31Å; N26-M28 PolarHBondContact O-N 2.97Å; N26-M28 PolarHBondContact OD1-N 3.1Å; M28-R30 VanDerWaalsContact C-N 3.33Å; M28-R30 PolarHBondContact O-N 3.09Å; M28-K31 PolarHBondContact O-N 2.92Å; M28-I32 HydrophobicContact CG-CD1 4.44Å; M28-I32 WeakPolarHBondContact O-CG1 3.3Å; M28-I32 PolarHBondContact O-N 2.79Å
29L94.6Very high94.9Very high92 Ų9263.9 Ų63.948%0.48236%0.358SS..Hα-helixtrans-64.5-36.6177.4-68.3-178.3000112.2V25 N26 I32 A33V25-L29 HydrophobicContact CG1-CB 3.63Å; N26-L29 VanDerWaalsContact ND2-CD1 3.31Å; N26-L29 WeakPolarHBondContact ND2-CD1 3.34Å; N26-L29 PolarHBondContact O-N 2.46Å; N26-L29 PolarHBondContact OD1-N 3.29Å; L29-I32 PolarHBondContact O-N 2.76Å; L29-A33 WeakPolarHBondContact O-CB 3.39Å; L29-A33 PolarHBondContact O-N 2.92Å
30R95.8Very high94.7Very high37 Ų3764 Ų6414%0.1436%0.359CS..Hα-helixtrans-61.2-45.8175.9-67.4-165.1-49.2-97.83.8112.2E17 L20 V25 N26 V27 M28 I32 A33 V34E17-R30 HydrophobicContact CG-CB 4.2Å; E17-R30 WeakPolarHBondContact O-CD 3.05Å; E17-R30 IonicContact OE1-NE 2.84Å; L20-R30 HydrophobicContact CB-CG 3.78Å; L20-R30 HydrophobicContact CD1-CG 4.44Å; V25-R30 HydrophobicContact CB-CG 3.76Å; V25-R30 HydrophobicContact CG1-CG 3.63Å; V25-R30 WeakPolarHBondContact O-CD 3.46Å; V25-R30 WeakPolarHBondContact O-CG 3.31Å; V25-R30 PolarHBondContact O-NH1 2.63Å; N26-R30 WeakPolarHBondContact O-CG 3.4Å; N26-R30 PolarHBondContact O-N 3.06Å; V27-R30 PolarHBondContact O-N 2.8Å; M28-R30 VanDerWaalsContact C-N 3.33Å; M28-R30 PolarHBondContact O-N 3.09Å; R30-I32 VanDerWaalsContact C-N 3.33Å; R30-I32 PolarHBondContact O-N 3.39Å; R30-A33 PolarHBondContact O-N 3.35Å; R30-V34 VanDerWaalsContact O-CG2 3.26Å; R30-V34 WeakPolarHBondContact O-CG2 3.39Å; R30-V34 PolarHBondContact O-N 2.87Å
31K94.6Very high94.4Very high113 Ų11366.5 Ų66.549%0.49138%0.381SS..Hα-helixtrans-62.2-40.7178.8-66.4-58.6-176.7-166.90112E17 V27 M28 A35E17-K31 WeakPolarHBondContact OE1-CE 3.16Å; E17-K31 IonicContact OE1-NZ 2.74Å; E17-K31 PolarHBondContact OE1-NZ 2.92Å; E17-K31 IonicContact OE2-NZ 2.95Å; E17-K31 PolarHBondContact OE2-NZ 3.41Å; V27-K31 WeakPolarHBondContact O-CG 3.46Å; V27-K31 PolarHBondContact O-N 2.66Å; V27-K31 VanDerWaalsContact O-N 3.14Å; M28-K31 PolarHBondContact O-N 2.92Å; K31-A35 WeakPolarHBondContact O-CB 3.32Å; K31-A35 PolarHBondContact O-N 2.98Å; K31-A35 VanDerWaalsContact O-N 3.1Å
32I94.4Very high94.4Very high84 Ų8460.7 Ų60.743%0.43136%0.356SS..Hα-helixtrans-63-47.5174.6-65.3168.5000110.5M28 L29 R30 V34 A35 A36M28-I32 HydrophobicContact CG-CD1 4.44Å; M28-I32 WeakPolarHBondContact O-CG1 3.3Å; M28-I32 PolarHBondContact O-N 2.79Å; L29-I32 PolarHBondContact O-N 2.76Å; R30-I32 VanDerWaalsContact C-N 3.33Å; R30-I32 PolarHBondContact O-N 3.39Å; I32-V34 PolarHBondContact O-N 2.98Å; I32-A35 PolarHBondContact O-N 2.8Å; I32-A36 VanDerWaalsContact O-CB 3.28Å; I32-A36 WeakPolarHBondContact O-CB 3.49Å; I32-A36 PolarHBondContact O-N 3Å
33A93.5Very high94.5Very high30 Ų3060.6 Ų60.625%0.24835%0.352CS..Hα-helixtrans-62.2-42.8-179.700000112.5F16 L20 L29 R30 A36 A37F16-A33 HydrophobicContact CE1-CB 4.48Å; L20-A33 HydrophobicContact CD1-CB 3.65Å; L29-A33 WeakPolarHBondContact O-CB 3.39Å; L29-A33 PolarHBondContact O-N 2.92Å; R30-A33 PolarHBondContact O-N 3.35Å; A33-A36 PolarHBondContact O-N 2.82Å; A33-A37 WeakPolarHBondContact O-CB 3.31Å; A33-A37 PolarHBondContact O-N 2.97Å
34V94.5Very high94.6Very high51 Ų5160 Ų6031%0.30935%0.349SS..Hα-helixtrans-61.3-47.1176.3170.60000111F16 E17 R30 I32 S38F16-V34 HydrophobicContact CD1-CG2 3.97Å; E17-V34 HydrophobicContact CB-CG2 3.83Å; E17-V34 HydrophobicContact CG-CG2 4.21Å; R30-V34 VanDerWaalsContact O-CG2 3.26Å; R30-V34 WeakPolarHBondContact O-CG2 3.39Å; R30-V34 PolarHBondContact O-N 2.87Å; I32-V34 PolarHBondContact O-N 2.98Å; V34-S38 PolarHBondContact O-N 2.9Å
35A93.9Very high94.7Very high66 Ų6662 Ų6255%0.54534%0.339SS..Hα-helixtrans-63-45.2178.500000111.5K31 I32 S38K31-A35 WeakPolarHBondContact O-CB 3.32Å; K31-A35 PolarHBondContact O-N 2.98Å; K31-A35 VanDerWaalsContact O-N 3.1Å; I32-A35 PolarHBondContact O-N 2.8Å; A35-S38 WeakPolarHBondContact O-CB 3.25Å; A35-S38 PolarHBondContact O-N 3.31Å; A35-S38 PolarHBondContact O-OG 3.04Å
36A91.6Very high94.9Very high4 Ų462 Ų623%0.03334%0.337CS..Hα-helixtrans-69.1-36-177.500000113.5I32 A33 S38 T57 T58 V59I32-A36 VanDerWaalsContact O-CB 3.28Å; I32-A36 WeakPolarHBondContact O-CB 3.49Å; I32-A36 PolarHBondContact O-N 3Å; A33-A36 PolarHBondContact O-N 2.82Å; A36-S38 VanDerWaalsContact C-N 3.32Å; A36-T57 WeakPolarHBondContact O-CB 3.05Å; A36-T58 VanDerWaalsContact CA-OG1 3.22Å; A36-T58 WeakPolarHBondContact CA-OG1 3.39Å; A36-T58 VanDerWaalsContact CB-OG1 3.29Å; A36-T58 WeakPolarHBondContact CB-OG1 3.38Å; A36-T58 PolarHBondContact O-N 3.28Å; A36-V59 HydrophobicContact CB-CB 4.06Å; A36-V59 HydrophobicContact CB-CG1 3.54Å; A36-V59 HydrophobicContact CB-CG2 3.44Å; A36-V59 VanDerWaalsContact CB-CG2 3.44Å
37A91.4Very high94.9Very high8 Ų865.4 Ų65.47%0.06635%0.35CS..THydrogen-bonded Turntrans-93.618.5179.100000113.3F16 A33 P40 T57F16-A37 HydrophobicContact CE1-CB 3.88Å; F16-A37 HydrophobicContact CZ-CB 4.24Å; A33-A37 WeakPolarHBondContact O-CB 3.31Å; A33-A37 PolarHBondContact O-N 2.97Å; A37-P40 WeakPolarHBondContact O-CD 3.15Å; A37-T57 HydrophobicContact CB-CG2 3.93Å
38S91.3Very high94.9Very high71 Ų7163.2 Ų63.250%0.49735%0.345SS..SBendtrans-71.4-30.3178.760.60000113.2I10 V34 A35 A36I10-S38 WeakPolarHBondContact CG2-O 3.45Å; V34-S38 PolarHBondContact O-N 2.9Å; A35-S38 WeakPolarHBondContact O-CB 3.25Å; A35-S38 PolarHBondContact O-N 3.31Å; A35-S38 PolarHBondContact O-OG 3.04Å; A36-S38 VanDerWaalsContact C-N 3.32Å
39K92.4Very high95Very high177 Ų17759.3 Ų59.377%0.7733%0.327SS*.SBendtrans-137.365.1178.3-63.4-178.3-177.6176.50110.8
40P92.1Very high95.2Very high3 Ų358.1 Ų58.12%0.01932%0.323CS..  trans-69139.8177.429.9-29.5000109.9I10 A37 T55 S56 T57 Y135I10-P40 HydrophobicContact CB-CG 4.35Å; I10-P40 HydrophobicContact CD1-CG 4.15Å; A37-P40 WeakPolarHBondContact O-CD 3.15Å; P40-T55 HydrophobicContact CB-CG2 4.28Å; P40-S56 CarbonylContact C-O 3.6Å; P40-S56 WeakPolarHBondContact CA-O 3.14Å; P40-T57 HydrophobicContact CB-CG2 4.13Å; P40-Y135 HydrophobicContact CG-CE1 4.07Å
41A92.1Very high95.3Very high60 Ų6056.4 Ų56.450%0.49632%0.317SS..EExtended strand (participates in β ladder)trans-88.9125.2164.600000108.3S56A41-S56 PolarHBondContact N-O 2.91Å; A41-S56 PolarHBondContact O-N 2.83Å
42V98.1Very high95.5Very high2 Ų252.9 Ų52.91%0.01230%0.301CS..EExtended strand (participates in β ladder)trans-117.4119.4178.9173.60000109N7 W8 I44 I53 K54 T55 Y135N7-V42 CarbonylContact C-O 3.41Å; N7-V42 WeakPolarHBondContact CA-O 3.39Å; W8-V42 HydrophobicContact CB-CB 4Å; W8-V42 HydrophobicContact CB-CG1 4.28Å; W8-V42 PolarHBondContact N-O 3.02Å; W8-V42 PolarHBondContact O-N 2.92Å; V42-I44 HydrophobicContact CG1-CD1 4.29Å; V42-I44 HydrophobicContact CG1-CG1 4.01Å; V42-I53 HydrophobicContact CG1-CG2 4.45Å; V42-K54 CarbonylContact C-O 3.53Å; V42-K54 WeakPolarHBondContact CA-O 3.32Å; V42-T55 HydrophobicContact CG2-CG2 4.08Å; V42-Y135 HydrophobicContact CB-CE1 4.38Å; V42-Y135 HydrophobicContact CG2-CD1 4.29Å; V42-Y135 HydrophobicContact CG2-CE1 3.64Å
43E98.6Very high95.7Very high53 Ų5349 Ų4925%0.24828%0.281CS..EExtended strand (participates in β ladder)trans-108.6128.9173.5176.1-172.9-176.600108.1K45 I53 K54E43-K45 WeakPolarHBondContact OE1-CE 3.35Å; E43-K45 IonicContact OE1-NZ 2.85Å; E43-K45 PolarHBondContact OE1-NZ 2.8Å; E43-I53 WeakPolarHBondContact O-CA 3.12Å; E43-K54 HydrophobicContact CB-CB 4.26Å; E43-K54 PolarHBondContact N-O 2.92Å; E43-K54 PolarHBondContact O-N 2.89Å
44I98.6Very high95.9Very high4 Ų450.3 Ų50.32%0.02128%0.281CS..EExtended strand (participates in β ladder)trans-121.7133.3175.1-57.3179.6000108.6F4 S5 G6 V42 F51 Y52 I53 L120F4-I44 HydrophobicContact CB-CD1 4.44Å; F4-I44 HydrophobicContact CB-CG2 3.94Å; F4-I44 WeakPolarHBondContact O-CB 3.32Å; S5-I44 CarbonylContact C-O 3.55Å; S5-I44 WeakPolarHBondContact CA-O 3.5Å; G6-I44 PolarHBondContact N-O 2.83Å; G6-I44 PolarHBondContact O-N 2.85Å; V42-I44 HydrophobicContact CG1-CD1 4.29Å; V42-I44 HydrophobicContact CG1-CG1 4.01Å; I44-F51 HydrophobicContact CG2-CD1 4.2Å; I44-Y52 WeakPolarHBondContact CA-O 3.39Å; I44-I53 HydrophobicContact CG1-CG1 4.22Å; I44-I53 HydrophobicContact CG1-CG2 4.26Å; I44-I53 HydrophobicContact CG2-CG1 4.34Å; I44-L120 HydrophobicContact CD1-CD2 3.65Å
45K98.6Very high96Very high108 Ų10849.2 Ų49.247%0.4728%0.275SS..EExtended strand (participates in β ladder)trans-120.7131.2165.3-56.6174.5-176.9160.40108.2E43 F51 Y52E43-K45 WeakPolarHBondContact OE1-CE 3.35Å; E43-K45 IonicContact OE1-NZ 2.85Å; E43-K45 PolarHBondContact OE1-NZ 2.8Å; K45-F51 WeakPolarHBondContact O-CA 3.32Å; K45-Y52 HydrophobicContact CB-CD1 4.4Å; K45-Y52 HydrophobicContact CD-CD1 3.97Å; K45-Y52 HydrophobicContact CG-CD1 4.12Å; K45-Y52 PolarHBondContact N-O 3.3Å; K45-Y52 PolarHBondContact O-N 2.79Å
46Q98.2Very high96Very high27 Ų2747.5 Ų47.513%0.12626%0.259CS..EExtended strand (participates in β ladder)trans-126.6129.7-179.6-179.4-173.8-6.600110.3P2 S5 G48 T50 F51P2-Q46 PolarHBondContact O-NE2 2.85Å; P2-Q46 PolarHBondContact O-OE1 3.33Å; S5-Q46 WeakPolarHBondContact OG-CB 3.35Å; S5-Q46 PolarHBondContact OG-N 3.04Å; Q46-G48 VanDerWaalsContact CG-O 3.32Å; Q46-G48 WeakPolarHBondContact CG-O 3.45Å; Q46-G48 PolarHBondContact NE2-O 2.9Å; Q46-T50 WeakPolarHBondContact CA-O 3.5Å; Q46-F51 HydrophobicContact CB-CD1 4.04Å; Q46-F51 HydrophobicContact CB-CE1 3.8Å; Q46-F51 HydrophobicContact CB-CZ 4.32Å; Q46-F51 VanDerWaalsContact CD-CE1 3.47Å; Q46-F51 HydrophobicContact CG-CD1 4.06Å; Q46-F51 HydrophobicContact CG-CE1 3.49Å; Q46-F51 VanDerWaalsContact CG-CE1 3.49Å; Q46-F51 HydrophobicContact CG-CE2 4.08Å; Q46-F51 HydrophobicContact CG-CZ 3.5Å; Q46-F51 VanDerWaalsContact CG-CZ 3.5Å
47E97.8Very high96.1Very high158 Ų15848.9 Ų48.974%0.73827%0.267SS*.EExtended strand (participates in β ladder)trans-126.792.9172.2-67.9-178.1-169.700108.6D49 T50E47-D49 PolarHBondContact O-N 2.94Å; E47-D49 VanDerWaalsContact O-N 3.15Å; E47-T50 PolarHBondContact N-O 2.86Å; E47-T50 WeakPolarHBondContact O-CB 3.39Å; E47-T50 PolarHBondContact O-N 3.34Å
48G95.9Very high96Very high41 Ų4154.3 Ų54.342%0.42330%0.299SS..THydrogen-bonded Turntrans62-114.6-170.900000111.1Q46Q46-G48 VanDerWaalsContact CG-O 3.32Å; Q46-G48 WeakPolarHBondContact CG-O 3.45Å; Q46-G48 PolarHBondContact NE2-O 2.9Å
49D97.1Very high95.7Very high56 Ų5655.6 Ų55.630%0.29930%0.304SS..THydrogen-bonded Turntrans-95.51.1176.7-72.8-39.8000113.6E47 F51 K67 V68 W88E47-D49 PolarHBondContact O-N 2.94Å; E47-D49 VanDerWaalsContact O-N 3.15Å; D49-F51 WeakPolarHBondContact O-CD2 3.42Å; D49-K67 HydrophobicContact CB-CG 4.39Å; D49-K67 CarbonylContact O-C 3.58Å; D49-K67 WeakPolarHBondContact O-CA 3.32Å; D49-V68 HydrophobicContact CB-CB 4.13Å; D49-V68 HydrophobicContact CB-CG2 4.41Å; D49-V68 PolarHBondContact O-N 2.93Å; D49-W88 PolarHBondContact OD1-NE1 3.1Å
50T98.3Very high95.4Very high67 Ų6753 Ų5341%0.41129%0.289SS..EExtended strand (participates in β ladder)trans-92.6131.7176-56.90000109.9Q46 E47 F66Q46-T50 WeakPolarHBondContact CA-O 3.5Å; E47-T50 PolarHBondContact N-O 2.86Å; E47-T50 WeakPolarHBondContact O-CB 3.39Å; E47-T50 PolarHBondContact O-N 3.34Å; T50-F66 WeakPolarHBondContact CA-O 3.47Å
51F98.7Very high95.4Very high2 Ų256.4 Ų56.41%0.00931%0.31CS..EExtended strand (participates in β ladder)trans-127.2137.1-177-72.2-97.2000111.3F4 I44 K45 Q46 D49 N65 F66 V68 W88 M94F4-F51 HydrophobicContact CB-CE1 4.06Å; F4-F51 HydrophobicContact CD2-CE1 4Å; F4-F51 HydrophobicContact CD2-CZ 4.26Å; F4-F51 HydrophobicContact CG-CE1 4.22Å; I44-F51 HydrophobicContact CG2-CD1 4.2Å; K45-F51 WeakPolarHBondContact O-CA 3.32Å; Q46-F51 HydrophobicContact CB-CD1 4.04Å; Q46-F51 HydrophobicContact CB-CE1 3.8Å; Q46-F51 HydrophobicContact CB-CZ 4.32Å; Q46-F51 VanDerWaalsContact CD-CE1 3.47Å; Q46-F51 HydrophobicContact CG-CD1 4.06Å; Q46-F51 HydrophobicContact CG-CE1 3.49Å; Q46-F51 VanDerWaalsContact CG-CE1 3.49Å; Q46-F51 HydrophobicContact CG-CE2 4.08Å; Q46-F51 HydrophobicContact CG-CZ 3.5Å; Q46-F51 VanDerWaalsContact CG-CZ 3.5Å; D49-F51 WeakPolarHBondContact O-CD2 3.42Å; F51-N65 WeakPolarHBondContact O-CA 3.33Å; F51-F66 HydrophobicContact CB-CD1 4.12Å; F51-F66 HydrophobicContact CB-CD2 4.19Å; F51-F66 HydrophobicContact CB-CE1 3.62Å; F51-F66 HydrophobicContact CB-CE2 3.69Å; F51-F66 HydrophobicContact CB-CG 4.39Å; F51-F66 HydrophobicContact CB-CZ 3.38Å; F51-F66 HydrophobicContact CD1-CZ 4.39Å; F51-F66 HydrophobicContact CD2-CD2 4.38Å; F51-F66 AromaticContact CD2-CE2 3.65Å; F51-F66 HydrophobicContact CD2-CE2 3.65Å; F51-F66 HydrophobicContact CD2-CZ 4.01Å; F51-F66 HydrophobicContact CG-CE1 4.4Å; F51-F66 AromaticContact CG-CE2 3.82Å; F51-F66 HydrophobicContact CG-CE2 3.82Å; F51-F66 AromaticContact CG-CZ 3.68Å; F51-F66 HydrophobicContact CG-CZ 3.68Å; F51-F66 PolarHBondContact N-O 2.86Å; F51-F66 PolarHBondContact O-N 2.92Å; F51-V68 HydrophobicContact CD2-CG2 4.06Å; F51-V68 HydrophobicContact CE2-CG2 3.76Å; F51-W88 HydrophobicContact CE2-CH2 4.28Å; F51-W88 AromaticContact CE2-CZ2 3.97Å; F51-W88 HydrophobicContact CE2-CZ2 3.97Å; F51-W88 AromaticContact CZ-CH2 3.79Å; F51-W88 HydrophobicContact CZ-CH2 3.79Å; F51-W88 AromaticContact CZ-CZ2 3.9Å; F51-W88 HydrophobicContact CZ-CZ2 3.9Å; F51-M94 HydrophobicContact CD1-CE 4.29Å; F51-M94 HydrophobicContact CE1-CE 3.6Å; F51-M94 HydrophobicContact CE2-CE 4.1Å; F51-M94 HydrophobicContact CZ-CE 3.5Å; F51-M94 VanDerWaalsContact CZ-CE 3.5Å
52Y98.7Very high95.5Very high38 Ų3856.3 Ų56.315%0.14930%0.303CS..EExtended strand (participates in β ladder)trans-111.9128.9158.4168.7-100.5000108.3I44 K45 K54 E63 I64 N65I44-Y52 WeakPolarHBondContact CA-O 3.39Å; K45-Y52 HydrophobicContact CB-CD1 4.4Å; K45-Y52 HydrophobicContact CD-CD1 3.97Å; K45-Y52 HydrophobicContact CG-CD1 4.12Å; K45-Y52 PolarHBondContact N-O 3.3Å; K45-Y52 PolarHBondContact O-N 2.79Å; Y52-K54 HydrophobicContact CE1-CB 3.82Å; Y52-E63 HydrophobicContact CE2-CB 4.07Å; Y52-E63 HydrophobicContact CE2-CG 4.38Å; Y52-E63 WeakPolarHBondContact CE2-OE2 3.4Å; Y52-E63 PolarHBondContact OH-OE1 2.89Å; Y52-E63 PolarHBondContact OH-OE2 2.93Å; Y52-I64 WeakPolarHBondContact CA-O 3.28Å; Y52-N65 VanDerWaalsContact CD2-OD1 3.3Å; Y52-N65 WeakPolarHBondContact CD2-OD1 3.33Å
53I98.4Very high95.5Very high4 Ų460.9 Ų60.92%0.02133%0.325CS..EExtended strand (participates in β ladder)trans-128.9122.2175.4-54.2-175.4000109V42 E43 I44 E63 I64 F66V42-I53 HydrophobicContact CG1-CG2 4.45Å; E43-I53 WeakPolarHBondContact O-CA 3.12Å; I44-I53 HydrophobicContact CG1-CG1 4.22Å; I44-I53 HydrophobicContact CG1-CG2 4.26Å; I44-I53 HydrophobicContact CG2-CG1 4.34Å; I53-E63 WeakPolarHBondContact O-CA 3.22Å; I53-I64 HydrophobicContact CB-CD1 4.27Å; I53-I64 HydrophobicContact CB-CG1 3.8Å; I53-I64 HydrophobicContact CD1-CD1 4.44Å; I53-I64 HydrophobicContact CG1-CG1 4.47Å; I53-I64 PolarHBondContact N-O 2.85Å; I53-I64 PolarHBondContact O-N 2.88Å; I53-F66 HydrophobicContact CD1-CE1 3.81Å; I53-F66 HydrophobicContact CD1-CZ 4.13Å; I53-F66 HydrophobicContact CG1-CE1 4.17Å
54K98.2Very high95.4Very high56 Ų5659.6 Ų59.624%0.24332%0.319CS..EExtended strand (participates in β ladder)trans-111.3126.2171.6175175.4-166.1146.50109.8V42 E43 Y52 T61 T62 E63V42-K54 CarbonylContact C-O 3.53Å; V42-K54 WeakPolarHBondContact CA-O 3.32Å; E43-K54 HydrophobicContact CB-CB 4.26Å; E43-K54 PolarHBondContact N-O 2.92Å; E43-K54 PolarHBondContact O-N 2.89Å; Y52-K54 HydrophobicContact CE1-CB 3.82Å; K54-T61 HydrophobicContact CG-CG2 4.17Å; K54-T62 WeakPolarHBondContact CA-O 3.17Å; K54-E63 HydrophobicContact CB-CG 4.13Å; K54-E63 HydrophobicContact CD-CG 4.32Å; K54-E63 VanDerWaalsContact CE-OE1 3.24Å; K54-E63 WeakPolarHBondContact CE-OE1 3.45Å; K54-E63 HydrophobicContact CG-CG 3.94Å; K54-E63 IonicContact NZ-OE1 2.74Å; K54-E63 PolarHBondContact NZ-OE1 2.92Å
55T96.2Very high95.4Very high28 Ų2864.5 Ų64.517%0.17235%0.346CS..EExtended strand (participates in β ladder)trans-118.9118.4174-58.30000108.7P40 V42 T61 T62P40-T55 HydrophobicContact CB-CG2 4.28Å; V42-T55 HydrophobicContact CG2-CG2 4.08Å; T55-T61 CarbonylContact O-C 3.59Å; T55-T61 WeakPolarHBondContact O-CA 3.33Å; T55-T62 PolarHBondContact N-O 3.44Å; T55-T62 PolarHBondContact O-N 2.99Å
56S94.6Very high95.4Very high30 Ų3059.8 Ų59.821%0.2133%0.325CS..EExtended strand (participates in β ladder)trans-115.3124.8-178.8-53.70000110P40 A41P40-S56 CarbonylContact C-O 3.6Å; P40-S56 WeakPolarHBondContact CA-O 3.14Å; A41-S56 PolarHBondContact N-O 2.91Å; A41-S56 PolarHBondContact O-N 2.83Å
57T92.6Very high95.5Very high34 Ų3462.7 Ų62.721%0.20934%0.337CS..  trans-114.6176.6171.164.70000109.2A36 A37 P40 V59 R60A36-T57 WeakPolarHBondContact O-CB 3.05Å; A37-T57 HydrophobicContact CB-CG2 3.93Å; P40-T57 HydrophobicContact CB-CG2 4.13Å; T57-V59 PolarHBondContact O-N 2.98Å; T57-V59 PolarHBondContact OG1-N 3.48Å; T57-R60 PolarHBondContact N-O 2.56Å; T57-R60 PolarHBondContact OG1-N 2.78Å; T57-R60 PolarHBondContact OG1-O 2.96Å
58T88.8Confident95.5Very high122 Ų12256.1 Ų56.175%0.74831%0.308SS*.SBendtrans-66.9-16.5177.559.40000113.9A36A36-T58 VanDerWaalsContact CA-OG1 3.22Å; A36-T58 WeakPolarHBondContact CA-OG1 3.39Å; A36-T58 VanDerWaalsContact CB-OG1 3.29Å; A36-T58 WeakPolarHBondContact CB-OG1 3.38Å; A36-T58 PolarHBondContact O-N 3.28Å
59V85.2Confident95.6Very high98 Ų9856.6 Ų56.659%0.59431%0.313SS*.SBendtrans-118.5-21.1-175.2-60.60000114.2A36 T57A36-V59 HydrophobicContact CB-CB 4.06Å; A36-V59 HydrophobicContact CB-CG1 3.54Å; A36-V59 HydrophobicContact CB-CG2 3.44Å; A36-V59 VanDerWaalsContact CB-CG2 3.44Å; T57-V59 PolarHBondContact O-N 2.98Å; T57-V59 PolarHBondContact OG1-N 3.48Å
60R86.7Confident95.7Very high122 Ų12258.6 Ų58.646%0.4632%0.321SS..  trans-150.4138.3-173.5-174.1-176.6-66.5-149.32.3110.9T57 T62T57-R60 PolarHBondContact N-O 2.56Å; T57-R60 PolarHBondContact OG1-N 2.78Å; T57-R60 PolarHBondContact OG1-O 2.96Å; R60-T62 HydrophobicContact CG-CG2 4.06Å
61T93.1Very high95.7Very high75 Ų7560.5 Ų60.546%0.4633%0.325SS..EExtended strand (participates in β ladder)trans-115.5132.9165.8-61.40000109K54 T55 E63K54-T61 HydrophobicContact CG-CG2 4.17Å; T55-T61 CarbonylContact O-C 3.59Å; T55-T61 WeakPolarHBondContact O-CA 3.33Å; T61-E63 HydrophobicContact CG2-CG 4.43Å
62T93.8Very high95.7Very high57 Ų5761.6 Ų61.635%0.3533%0.33SS..EExtended strand (participates in β ladder)trans-123.2141.3174.658.90000109.5K54 T55 R60K54-T62 WeakPolarHBondContact CA-O 3.17Å; T55-T62 PolarHBondContact N-O 3.44Å; T55-T62 PolarHBondContact O-N 2.99Å; R60-T62 HydrophobicContact CG-CG2 4.06Å
63E97.1Very high95.7Very high99 Ų9966.4 Ų66.446%0.46335%0.353SS..EExtended strand (participates in β ladder)trans-130.7128.6177.9-60.2-170.7-17100108.2Y52 I53 K54 T61Y52-E63 HydrophobicContact CE2-CB 4.07Å; Y52-E63 HydrophobicContact CE2-CG 4.38Å; Y52-E63 WeakPolarHBondContact CE2-OE2 3.4Å; Y52-E63 PolarHBondContact OH-OE1 2.89Å; Y52-E63 PolarHBondContact OH-OE2 2.93Å; I53-E63 WeakPolarHBondContact O-CA 3.22Å; K54-E63 HydrophobicContact CB-CG 4.13Å; K54-E63 HydrophobicContact CD-CG 4.32Å; K54-E63 VanDerWaalsContact CE-OE1 3.24Å; K54-E63 WeakPolarHBondContact CE-OE1 3.45Å; K54-E63 HydrophobicContact CG-CG 3.94Å; K54-E63 IonicContact NZ-OE1 2.74Å; K54-E63 PolarHBondContact NZ-OE1 2.92Å; T61-E63 HydrophobicContact CG2-CG 4.43Å
64I97.9Very high95.6Very high26 Ų2667.5 Ų67.513%0.13336%0.359CS..EExtended strand (participates in β ladder)trans-125141.6174.961.2173000109.6Y52 I53 F66 F72 E74 W110Y52-I64 WeakPolarHBondContact CA-O 3.28Å; I53-I64 HydrophobicContact CB-CD1 4.27Å; I53-I64 HydrophobicContact CB-CG1 3.8Å; I53-I64 HydrophobicContact CD1-CD1 4.44Å; I53-I64 HydrophobicContact CG1-CG1 4.47Å; I53-I64 PolarHBondContact N-O 2.85Å; I53-I64 PolarHBondContact O-N 2.88Å; I64-F66 HydrophobicContact CD1-CD1 3.98Å; I64-F66 HydrophobicContact CD1-CE1 3.87Å; I64-F66 HydrophobicContact CG1-CD1 4.24Å; I64-F66 HydrophobicContact CG1-CE1 4.33Å; I64-F72 HydrophobicContact CB-CE2 4.17Å; I64-F72 HydrophobicContact CD1-CE2 4.36Å; I64-F72 HydrophobicContact CG2-CE2 4.41Å; I64-E74 HydrophobicContact CG2-CB 3.75Å; I64-W110 HydrophobicContact CD1-CZ2 4.29Å
65N98.4Very high95.6Very high107 Ų10769.4 Ų69.457%0.57237%0.368SS*.EExtended strand (participates in β ladder)trans-124.2126.6172.4-68.6-91.3000107.1F51 Y52F51-N65 WeakPolarHBondContact O-CA 3.33Å; Y52-N65 VanDerWaalsContact CD2-OD1 3.3Å; Y52-N65 WeakPolarHBondContact CD2-OD1 3.33Å
66F98.6Very high95.6Very high9 Ų968.3 Ų68.34%0.03936%0.361CS..EExtended strand (participates in β ladder)trans-150.4162.5179.465.8-91.8000111.1T50 F51 I53 I64 V68 F72 V86 M94 W110T50-F66 WeakPolarHBondContact CA-O 3.47Å; F51-F66 HydrophobicContact CB-CD1 4.12Å; F51-F66 HydrophobicContact CB-CD2 4.19Å; F51-F66 HydrophobicContact CB-CE1 3.62Å; F51-F66 HydrophobicContact CB-CE2 3.69Å; F51-F66 HydrophobicContact CB-CG 4.39Å; F51-F66 HydrophobicContact CB-CZ 3.38Å; F51-F66 HydrophobicContact CD1-CZ 4.39Å; F51-F66 HydrophobicContact CD2-CD2 4.38Å; F51-F66 AromaticContact CD2-CE2 3.65Å; F51-F66 HydrophobicContact CD2-CE2 3.65Å; F51-F66 HydrophobicContact CD2-CZ 4.01Å; F51-F66 HydrophobicContact CG-CE1 4.4Å; F51-F66 AromaticContact CG-CE2 3.82Å; F51-F66 HydrophobicContact CG-CE2 3.82Å; F51-F66 AromaticContact CG-CZ 3.68Å; F51-F66 HydrophobicContact CG-CZ 3.68Å; F51-F66 PolarHBondContact N-O 2.86Å; F51-F66 PolarHBondContact O-N 2.92Å; I53-F66 HydrophobicContact CD1-CE1 3.81Å; I53-F66 HydrophobicContact CD1-CZ 4.13Å; I53-F66 HydrophobicContact CG1-CE1 4.17Å; I64-F66 HydrophobicContact CD1-CD1 3.98Å; I64-F66 HydrophobicContact CD1-CE1 3.87Å; I64-F66 HydrophobicContact CG1-CD1 4.24Å; I64-F66 HydrophobicContact CG1-CE1 4.33Å; F66-V68 HydrophobicContact CE2-CG2 4.25Å; F66-F72 HydrophobicContact CB-CB 4.4Å; F66-F72 HydrophobicContact CB-CD1 3.4Å; F66-F72 VanDerWaalsContact CB-CD1 3.4Å; F66-F72 HydrophobicContact CB-CD2 4Å; F66-F72 HydrophobicContact CB-CE1 3.5Å; F66-F72 HydrophobicContact CB-CE2 4.07Å; F66-F72 HydrophobicContact CB-CG 3.67Å; F66-F72 HydrophobicContact CB-CZ 3.84Å; F66-F72 HydrophobicContact CD1-CE1 4.33Å; F66-F72 HydrophobicContact CD1-CE2 4.3Å; F66-F72 AromaticContact CD1-CZ 3.97Å; F66-F72 HydrophobicContact CD1-CZ 3.97Å; F66-F72 HydrophobicContact CG-CD1 4.29Å; F66-F72 AromaticContact CG-CE1 3.89Å; F66-F72 HydrophobicContact CG-CE1 3.89Å; F66-F72 HydrophobicContact CG-CZ 4.01Å; F66-V86 HydrophobicContact CD2-CB 4.01Å; F66-V86 HydrophobicContact CD2-CG1 4.42Å; F66-V86 HydrophobicContact CD2-CG2 3.83Å; F66-V86 HydrophobicContact CE2-CB 3.89Å; F66-V86 HydrophobicContact CE2-CG1 3.82Å; F66-V86 HydrophobicContact CE2-CG2 3.73Å; F66-V86 HydrophobicContact CG-CG2 4.37Å; F66-V86 HydrophobicContact CZ-CG2 4.16Å; F66-M94 HydrophobicContact CE2-SD 4.49Å; F66-M94 HydrophobicContact CZ-SD 4.14Å; F66-W110 HydrophobicContact CE1-CH2 4.23Å; F66-W110 HydrophobicContact CZ-CH2 4.05Å
67K98.6Very high95.5Very high88 Ų8869.6 Ų69.638%0.38337%0.368SS..EExtended strand (participates in β ladder)trans-119.8134167.5-179.4168.8162.7-142.30108.8D49 G69 E70D49-K67 HydrophobicContact CB-CG 4.39Å; D49-K67 CarbonylContact O-C 3.58Å; D49-K67 WeakPolarHBondContact O-CA 3.32Å; K67-G69 PolarHBondContact O-N 2.95Å; K67-E70 HydrophobicContact CB-CB 4.43Å; K67-E70 HydrophobicContact CB-CG 4.44Å; K67-E70 VanDerWaalsContact CD-OE1 3.3Å; K67-E70 WeakPolarHBondContact CD-OE1 3.35Å; K67-E70 WeakPolarHBondContact CE-OE1 3.28Å; K67-E70 IonicContact NZ-OE1 3.7Å; K67-E70 PolarHBondContact NZ-OE1 3.28Å; K67-E70 PolarHBondContact O-N 3.37Å
68V98.4Very high95.5Very high19 Ų1969.9 Ų69.912%0.11537%0.368CS..THydrogen-bonded Turntrans-58.5130.5-179.9-177.60000109.3D49 F51 F66 V86 W88D49-V68 HydrophobicContact CB-CB 4.13Å; D49-V68 HydrophobicContact CB-CG2 4.41Å; D49-V68 PolarHBondContact O-N 2.93Å; F51-V68 HydrophobicContact CD2-CG2 4.06Å; F51-V68 HydrophobicContact CE2-CG2 3.76Å; F66-V68 HydrophobicContact CE2-CG2 4.25Å; V68-V86 HydrophobicContact CG1-CG1 4.46Å; V68-V86 HydrophobicContact CG2-CG1 4.11Å; V68-W88 HydrophobicContact CG1-CG 4.15Å; V68-W88 HydrophobicContact CG2-CZ2 4.13Å
69G98.4Very high95.8Very high52 Ų5265.1 Ų65.154%0.53634%0.343SS..THydrogen-bonded Turntrans90-6-175.600000115.6K67 V86K67-G69 PolarHBondContact O-N 2.95Å; G69-V86 PolarHBondContact N-O 2.85Å
70E98.7Very high96.3Very high98 Ų9863.4 Ų63.446%0.45833%0.326SS..SBendtrans-113138.7179.2-62.5179.6-160.300111K67K67-E70 HydrophobicContact CB-CB 4.43Å; K67-E70 HydrophobicContact CB-CG 4.44Å; K67-E70 VanDerWaalsContact CD-OE1 3.3Å; K67-E70 WeakPolarHBondContact CD-OE1 3.35Å; K67-E70 WeakPolarHBondContact CE-OE1 3.28Å; K67-E70 IonicContact NZ-OE1 3.7Å; K67-E70 PolarHBondContact NZ-OE1 3.28Å; K67-E70 PolarHBondContact O-N 3.37Å
71E98.5Very high96.8Very high106 Ų10661 Ų6150%0.49533%0.326SS..EExtended strand (participates in β ladder)trans-71.3142.6175.2-69.4-166.4150.600111K83 S84 L85E71-K83 IonicContact OE2-NZ 3.76Å; E71-K83 PolarHBondContact OE2-NZ 3.01Å; E71-S84 WeakPolarHBondContact CA-O 3.2Å; E71-L85 HydrophobicContact CG-CD1 4.41Å
72F98.6Very high97.1Very high25 Ų2557.4 Ų57.411%0.1130%0.304CS..EExtended strand (participates in β ladder)trans-143.2168.5173.468.9-74.6000110.8I64 F66 E74 K83 S84 V86 W110I64-F72 HydrophobicContact CB-CE2 4.17Å; I64-F72 HydrophobicContact CD1-CE2 4.36Å; I64-F72 HydrophobicContact CG2-CE2 4.41Å; F66-F72 HydrophobicContact CB-CB 4.4Å; F66-F72 HydrophobicContact CB-CD1 3.4Å; F66-F72 VanDerWaalsContact CB-CD1 3.4Å; F66-F72 HydrophobicContact CB-CD2 4Å; F66-F72 HydrophobicContact CB-CE1 3.5Å; F66-F72 HydrophobicContact CB-CE2 4.07Å; F66-F72 HydrophobicContact CB-CG 3.67Å; F66-F72 HydrophobicContact CB-CZ 3.84Å; F66-F72 HydrophobicContact CD1-CE1 4.33Å; F66-F72 HydrophobicContact CD1-CE2 4.3Å; F66-F72 AromaticContact CD1-CZ 3.97Å; F66-F72 HydrophobicContact CD1-CZ 3.97Å; F66-F72 HydrophobicContact CG-CD1 4.29Å; F66-F72 AromaticContact CG-CE1 3.89Å; F66-F72 HydrophobicContact CG-CE1 3.89Å; F66-F72 HydrophobicContact CG-CZ 4.01Å; F72-E74 HydrophobicContact CD2-CB 4.37Å; F72-E74 HydrophobicContact CE2-CB 3.9Å; F72-E74 HydrophobicContact CE2-CG 3.94Å; F72-E74 HydrophobicContact CZ-CG 4.45Å; F72-K83 CarbonylContact O-C 3.59Å; F72-K83 WeakPolarHBondContact O-CA 3.48Å; F72-S84 VanDerWaalsContact CD1-O 3.32Å; F72-S84 WeakPolarHBondContact CD1-O 3.34Å; F72-S84 VanDerWaalsContact CE1-CB 3.44Å; F72-S84 VanDerWaalsContact CZ-CB 3.44Å; F72-S84 PolarHBondContact N-O 3.14Å; F72-S84 PolarHBondContact O-N 2.82Å; F72-V86 HydrophobicContact CE1-CG2 3.9Å; F72-V86 HydrophobicContact CZ-CG2 4.31Å; F72-W110 HydrophobicContact CZ-CZ2 4.49Å
73E98Very high97.3Very high139 Ų13958.9 Ų58.965%0.6531%0.306SS*.EExtended strand (participates in β ladder)trans-101136.1176.1-66.8-173.8-17900111.1C82 K83E73-C82 WeakPolarHBondContact CA-O 3.3Å; E73-K83 HydrophobicContact CG-CG 4.49Å
74E97.8Very high97.4Very high28 Ų2854.2 Ų54.213%0.13128%0.284CS..EExtended strand (participates in β ladder)trans-148-165.1171.465.6170.316000110.2I64 F72 C82 S84 Q98 W110I64-E74 HydrophobicContact CG2-CB 3.75Å; F72-E74 HydrophobicContact CD2-CB 4.37Å; F72-E74 HydrophobicContact CE2-CB 3.9Å; F72-E74 HydrophobicContact CE2-CG 3.94Å; F72-E74 HydrophobicContact CZ-CG 4.45Å; E74-C82 PolarHBondContact N-O 3.3Å; E74-C82 PolarHBondContact O-N 3.34Å; E74-S84 VanDerWaalsContact CD-OG 3.29Å; E74-S84 VanDerWaalsContact CG-OG 3.22Å; E74-S84 WeakPolarHBondContact CG-OG 3.26Å; E74-S84 VanDerWaalsContact OE1-CB 3.26Å; E74-S84 WeakPolarHBondContact OE1-CB 3.35Å; E74-S84 PolarHBondContact OE1-OG 3.11Å; E74-Q98 PolarHBondContact OE1-NE2 3.14Å; E74-W110 PolarHBondContact OE1-NE1 3.01Å
75Q96.9Very high97.4Very high96 Ų9654.6 Ų54.645%0.44929%0.286SS..EExtended strand (participates in β ladder)trans-117.8144.2171.7-65.1179.34.400110.4R80Q75-R80 CarbonylContact C-O 3.57Å; Q75-R80 VanDerWaalsContact CA-O 3.29Å; Q75-R80 WeakPolarHBondContact CA-O 3.45Å
76T95.9Very high97.4Very high4 Ų449.5 Ų49.53%0.02526%0.259CS..  trans-60.8165.9164.661.30000110.3D78 G79 R80 C82 L100T76-D78 VanDerWaalsContact CB-OD1 3.25Å; T76-D78 WeakPolarHBondContact CB-OD1 3.46Å; T76-D78 PolarHBondContact O-N 3.42Å; T76-D78 VanDerWaalsContact O-N 3.16Å; T76-D78 PolarHBondContact OG1-OD1 3.16Å; T76-G79 WeakPolarHBondContact O-CA 3.5Å; T76-G79 PolarHBondContact O-N 2.87Å; T76-R80 PolarHBondContact N-O 3.3Å; T76-R80 WeakPolarHBondContact OG1-CB 3.47Å; T76-R80 PolarHBondContact OG1-N 3.31Å; T76-R80 VanDerWaalsContact OG1-N 3.1Å; T76-R80 PolarHBondContact OG1-O 3.44Å; T76-C82 HydrophobicContact CG2-CB 4.08Å; T76-L100 HydrophobicContact CG2-CD2 3.85Å
77V93.1Very high97.4Very high57 Ų5754.2 Ų54.235%0.34528%0.279SS..THydrogen-bonded Turntrans-60.6-27.8-17769.50000113.7F16 L19 L20 L23 G79 M124F16-V77 HydrophobicContact CE2-CG2 3.84Å; F16-V77 HydrophobicContact CZ-CG2 4.36Å; L19-V77 HydrophobicContact CD2-CG1 3.93Å; L20-V77 HydrophobicContact CD2-CG1 4.45Å; L20-V77 HydrophobicContact CD2-CG2 4.42Å; L23-V77 HydrophobicContact CD1-CG1 3.15Å; V77-G79 VanDerWaalsContact C-N 3.32Å; V77-M124 HydrophobicContact CG2-SD 4.15Å
78D93.8Very high97.4Very high41 Ų4153.9 Ų53.922%0.21928%0.276CS..THydrogen-bonded Turntrans-84.6-1.8173.163.1-50.4000113.7L23 V25 T76 R80L23-D78 HydrophobicContact CB-CB 4.07Å; L23-D78 HydrophobicContact CD1-CB 4.11Å; V25-D78 HydrophobicContact CG2-CB 3.99Å; T76-D78 VanDerWaalsContact CB-OD1 3.25Å; T76-D78 WeakPolarHBondContact CB-OD1 3.46Å; T76-D78 PolarHBondContact O-N 3.42Å; T76-D78 VanDerWaalsContact O-N 3.16Å; T76-D78 PolarHBondContact OG1-OD1 3.16Å; D78-R80 IonicContact OD1-NE 2.81Å; D78-R80 WeakPolarHBondContact OD2-CD 3.35Å; D78-R80 IonicContact OD2-CZ 3.98Å; D78-R80 IonicContact OD2-NE 3.54Å; D78-R80 PolarHBondContact OD2-NE 3.12Å; D78-R80 IonicContact OD2-NH2 3.57Å
79G93.8Very high97.3Very high21 Ų2158.6 Ų58.622%0.21630%0.297CS..SBendtrans95.514.7170.600000115.7T76 V77T76-G79 WeakPolarHBondContact O-CA 3.5Å; T76-G79 PolarHBondContact O-N 2.87Å; V77-G79 VanDerWaalsContact C-N 3.32Å
80R95.9Very high97.3Very high62 Ų6258.8 Ų58.823%0.23429%0.289CS..  trans-84.8132.3178.6-64.2-177.2-71.71617.1110.4Q75 T76 D78 C82 L100 E104Q75-R80 CarbonylContact C-O 3.57Å; Q75-R80 VanDerWaalsContact CA-O 3.29Å; Q75-R80 WeakPolarHBondContact CA-O 3.45Å; T76-R80 PolarHBondContact N-O 3.3Å; T76-R80 WeakPolarHBondContact OG1-CB 3.47Å; T76-R80 PolarHBondContact OG1-N 3.31Å; T76-R80 VanDerWaalsContact OG1-N 3.1Å; T76-R80 PolarHBondContact OG1-O 3.44Å; D78-R80 IonicContact OD1-NE 2.81Å; D78-R80 WeakPolarHBondContact OD2-CD 3.35Å; D78-R80 IonicContact OD2-CZ 3.98Å; D78-R80 IonicContact OD2-NE 3.54Å; D78-R80 PolarHBondContact OD2-NE 3.12Å; D78-R80 IonicContact OD2-NH2 3.57Å; R80-C82 PolarHBondContact O-N 3.39Å; R80-L100 HydrophobicContact CB-CD2 3.7Å; R80-E104 PolarHBondContact NH1-O 3.32Å; R80-E104 VanDerWaalsContact NH1-O 3.14Å
81P97.8Very high97.1Very high72 Ų7260.5 Ų60.547%0.46830%0.298SS..EExtended strand (participates in β ladder)trans-59.4133.7176.4-24.934.8000112.3L101P81-L101 HydrophobicContact CB-CB 4.42Å; P81-L101 HydrophobicContact CB-CD1 3.72Å; P81-L101 HydrophobicContact CB-CG 4.14Å; P81-L101 PolarHBondContact O-N 2.97Å
82C98.1Very high97.1Very high0 Ų057.5 Ų57.50%029%0.285CS..EExtended strand (participates in β ladder)trans-144.5155.6-179.465.60000111.9E73 E74 T76 R80 Q98 K99 L100E73-C82 WeakPolarHBondContact CA-O 3.3Å; E74-C82 PolarHBondContact N-O 3.3Å; E74-C82 PolarHBondContact O-N 3.34Å; T76-C82 HydrophobicContact CG2-CB 4.08Å; R80-C82 PolarHBondContact O-N 3.39Å; C82-Q98 HydrophobicContact CB-CB 4.46Å; C82-K99 CarbonylContact C-O 3.6Å; C82-K99 WeakPolarHBondContact CA-O 3.43Å; C82-K99 VanDerWaalsContact CB-O 3.23Å; C82-K99 WeakPolarHBondContact CB-O 3.48Å; C82-L100 HydrophobicContact CB-CD2 4.48Å
83K98.4Very high97Very high87 Ų8758.4 Ų58.438%0.37829%0.289SS..EExtended strand (participates in β ladder)trans-86.2138.3160.9-86.8-174.2167.8-153.10109.6E71 F72 E73 Q98 K99 L101E71-K83 IonicContact OE2-NZ 3.76Å; E71-K83 PolarHBondContact OE2-NZ 3.01Å; F72-K83 CarbonylContact O-C 3.59Å; F72-K83 WeakPolarHBondContact O-CA 3.48Å; E73-K83 HydrophobicContact CG-CG 4.49Å; K83-Q98 CarbonylContact O-C 3.57Å; K83-Q98 WeakPolarHBondContact O-CA 3.44Å; K83-K99 PolarHBondContact N-O 3.42Å; K83-K99 PolarHBondContact O-N 3.04Å; K83-L101 HydrophobicContact CB-CD2 4.35Å; K83-L101 HydrophobicContact CD-CD2 4.49Å; K83-L101 HydrophobicContact CG-CD2 3.72Å
84S98.7Very high97.1Very high1 Ų151.8 Ų51.81%0.00726%0.258CS..EExtended strand (participates in β ladder)trans-126.4145-178.9-74.90000111.4E71 F72 E74 E97E71-S84 WeakPolarHBondContact CA-O 3.2Å; F72-S84 VanDerWaalsContact CD1-O 3.32Å; F72-S84 WeakPolarHBondContact CD1-O 3.34Å; F72-S84 VanDerWaalsContact CE1-CB 3.44Å; F72-S84 VanDerWaalsContact CZ-CB 3.44Å; F72-S84 PolarHBondContact N-O 3.14Å; F72-S84 PolarHBondContact O-N 2.82Å; E74-S84 VanDerWaalsContact CD-OG 3.29Å; E74-S84 VanDerWaalsContact CG-OG 3.22Å; E74-S84 WeakPolarHBondContact CG-OG 3.26Å; E74-S84 VanDerWaalsContact OE1-CB 3.26Å; E74-S84 WeakPolarHBondContact OE1-CB 3.35Å; E74-S84 PolarHBondContact OE1-OG 3.11Å; S84-E97 VanDerWaalsContact CA-O 3.32Å; S84-E97 WeakPolarHBondContact CA-O 3.3Å
85L98.7Very high97.1Very high35 Ų3552.1 Ų52.118%0.18326%0.262CS..EExtended strand (participates in β ladder)trans-134.3116.4175.1178.562.5000109.5E71 K87 C96 E97E71-L85 HydrophobicContact CG-CD1 4.41Å; L85-K87 VanDerWaalsContact CD2-CE 3.5Å; L85-C96 WeakPolarHBondContact O-CA 3.23Å; L85-E97 PolarHBondContact N-O 3.01Å; L85-E97 VanDerWaalsContact N-O 3.09Å; L85-E97 PolarHBondContact O-N 2.54Å; L85-E97 VanDerWaalsContact O-N 3.13Å
86V98.8Very high97.2Very high0 Ų047.6 Ų47.60%024%0.241CC..EExtended strand (participates in β ladder)trans-95.5137.2178.2-179.70000110F66 V68 G69 F72 M94 V95 C96 W110F66-V86 HydrophobicContact CD2-CB 4.01Å; F66-V86 HydrophobicContact CD2-CG1 4.42Å; F66-V86 HydrophobicContact CD2-CG2 3.83Å; F66-V86 HydrophobicContact CE2-CB 3.89Å; F66-V86 HydrophobicContact CE2-CG1 3.82Å; F66-V86 HydrophobicContact CE2-CG2 3.73Å; F66-V86 HydrophobicContact CG-CG2 4.37Å; F66-V86 HydrophobicContact CZ-CG2 4.16Å; V68-V86 HydrophobicContact CG1-CG1 4.46Å; V68-V86 HydrophobicContact CG2-CG1 4.11Å; G69-V86 PolarHBondContact N-O 2.85Å; F72-V86 HydrophobicContact CE1-CG2 3.9Å; F72-V86 HydrophobicContact CZ-CG2 4.31Å; V86-M94 HydrophobicContact CG1-CB 3.86Å; V86-M94 HydrophobicContact CG1-CG 4.24Å; V86-M94 HydrophobicContact CG1-SD 4.1Å; V86-V95 CarbonylContact C-O 3.6Å; V86-V95 VanDerWaalsContact CA-O 3.3Å; V86-V95 WeakPolarHBondContact CA-O 3.37Å; V86-C96 HydrophobicContact CG2-CB 3.83Å; V86-W110 HydrophobicContact CG2-CH2 3.55Å; V86-W110 HydrophobicContact CG2-CZ2 3.74Å
87K98.5Very high97.3Very high107 Ų10752 Ų5247%0.46526%0.261SS..EExtended strand (participates in β ladder)trans-135.1151.7173.7-63179.9-175170.50110.5L85 M94 V95L85-K87 VanDerWaalsContact CD2-CE 3.5Å; K87-M94 CarbonylContact O-C 3.57Å; K87-M94 VanDerWaalsContact O-CA 3.29Å; K87-M94 WeakPolarHBondContact O-CA 2.84Å; K87-V95 HydrophobicContact CB-CG2 4.42Å; K87-V95 PolarHBondContact N-O 3.4Å; K87-V95 PolarHBondContact O-N 2.81Å
88W98.1Very high97.6Very high82 Ų8250.3 Ų50.331%0.31125%0.249SC..EExtended strand (participates in β ladder)trans-72.7123.5166-65.8118.7000109.6P2 F4 D49 F51 V68 M94P2-W88 HydrophobicContact CG-CH2 4.22Å; P2-W88 HydrophobicContact CG-CZ3 4.27Å; F4-W88 HydrophobicContact CD2-CH2 4.31Å; F4-W88 AromaticContact CE2-CH2 3.7Å; F4-W88 HydrophobicContact CE2-CH2 3.7Å; F4-W88 AromaticContact CE2-CZ3 3.77Å; F4-W88 HydrophobicContact CE2-CZ3 3.77Å; F4-W88 HydrophobicContact CZ-CZ3 4.25Å; D49-W88 PolarHBondContact OD1-NE1 3.1Å; F51-W88 HydrophobicContact CE2-CH2 4.28Å; F51-W88 AromaticContact CE2-CZ2 3.97Å; F51-W88 HydrophobicContact CE2-CZ2 3.97Å; F51-W88 AromaticContact CZ-CH2 3.79Å; F51-W88 HydrophobicContact CZ-CH2 3.79Å; F51-W88 AromaticContact CZ-CZ2 3.9Å; F51-W88 HydrophobicContact CZ-CZ2 3.9Å; V68-W88 HydrophobicContact CG1-CG 4.15Å; V68-W88 HydrophobicContact CG2-CZ2 4.13Å; W88-M94 HydrophobicContact CE3-CB 3.93Å; W88-M94 HydrophobicContact CH2-CE 3.55Å; W88-M94 HydrophobicContact CZ2-CE 4.43Å; W88-M94 HydrophobicContact CZ3-CB 3.91Å; W88-M94 HydrophobicContact CZ3-CE 3.74Å
89E97.7Very high97.8Very high118 Ų11854.5 Ų54.555%0.55127%0.266SS*.EExtended strand (participates in β ladder)trans-90.7-34.2169.3179.9176.2-94.500110.7K93 V95E89-K93 HydrophobicContact CB-CG 4.49Å; E89-K93 PolarHBondContact N-O 3.37Å; E89-K93 WeakPolarHBondContact OE2-CD 3.17Å; E89-K93 WeakPolarHBondContact OE2-CE 3.44Å; E89-K93 IonicContact OE2-NZ 2.74Å; E89-K93 PolarHBondContact OE2-NZ 2.87Å; E89-V95 HydrophobicContact CB-CG1 3.73Å; E89-V95 HydrophobicContact CB-CG2 4.28Å; E89-V95 HydrophobicContact CG-CG1 4.37Å
90S96.9Very high98Very high55 Ų5555.5 Ų55.539%0.38527%0.266SS..EExtended strand (participates in β ladder)trans-146.6-178.3172.676.90000109.8N92 K93S90-N92 PolarHBondContact O-N 2.81Å; S90-N92 PolarHBondContact OG-N 2.75Å; S90-K93 PolarHBondContact N-O 3.16Å; S90-K93 PolarHBondContact O-N 2.9Å; S90-K93 WeakPolarHBondContact OG-CB 3.22Å; S90-K93 PolarHBondContact OG-N 3.17Å
91E95.5Very high98Very high134 Ų13456.6 Ų56.663%0.62628%0.276SS*.THydrogen-bonded Turntrans-55.3-40.8176-179.2169.4-16300111.8M1 P2M1-E91 PolarHBondContact N-OE1 2.83Å; M1-E91 VanDerWaalsContact N-OE1 3.13Å; P2-E91 WeakPolarHBondContact CD-O 3.43Å; P2-E91 WeakPolarHBondContact CG-O 3.39Å
92N97.2Very high97.9Very high44 Ų4462.3 Ų62.324%0.23529%0.293CS..THydrogen-bonded Turntrans-106.46.1-172.6-63.3-32.1000114.2P2 F4 S90 E113 L114P2-N92 WeakPolarHBondContact CB-OD1 3.42Å; F4-N92 WeakPolarHBondContact CZ-O 3.38Å; S90-N92 PolarHBondContact O-N 2.81Å; S90-N92 PolarHBondContact OG-N 2.75Å; N92-E113 CarbonylContact O-C 3.56Å; N92-E113 VanDerWaalsContact O-CA 3.31Å; N92-E113 WeakPolarHBondContact O-CA 3.3Å; N92-L114 WeakPolarHBondContact CB-O 3.29Å; N92-L114 PolarHBondContact O-N 2.87Å
93K98.2Very high97.7Very high43 Ų4365.1 Ų65.119%0.18732%0.323CS..EExtended strand (participates in β ladder)trans-134.8125.2-173.2-173.2173.3178.8-1650112.4E89 S90 R112 E113E89-K93 HydrophobicContact CB-CG 4.49Å; E89-K93 PolarHBondContact N-O 3.37Å; E89-K93 WeakPolarHBondContact OE2-CD 3.17Å; E89-K93 WeakPolarHBondContact OE2-CE 3.44Å; E89-K93 IonicContact OE2-NZ 2.74Å; E89-K93 PolarHBondContact OE2-NZ 2.87Å; S90-K93 PolarHBondContact N-O 3.16Å; S90-K93 PolarHBondContact O-N 2.9Å; S90-K93 WeakPolarHBondContact OG-CB 3.22Å; S90-K93 PolarHBondContact OG-N 3.17Å; K93-R112 WeakPolarHBondContact CA-O 3.47Å; K93-E113 HydrophobicContact CB-CB 4.18Å; K93-E113 HydrophobicContact CB-CG 4.06Å; K93-E113 HydrophobicContact CD-CB 4.24Å; K93-E113 HydrophobicContact CD-CG 4.3Å; K93-E113 HydrophobicContact CG-CB 3.96Å; K93-E113 HydrophobicContact CG-CG 4.27Å
94M98.3Very high97.5Very high1 Ų169.9 Ų69.91%0.00535%0.346CS..EExtended strand (participates in β ladder)trans-107.4147.3169.568.9-176.568.800111F4 F51 F66 V86 K87 W88 W110 T111 R112F4-M94 HydrophobicContact CD2-CE 4.01Å; F4-M94 HydrophobicContact CE1-CE 4.31Å; F4-M94 HydrophobicContact CE2-CE 3.76Å; F4-M94 HydrophobicContact CG-CE 4.38Å; F4-M94 HydrophobicContact CZ-CE 3.92Å; F51-M94 HydrophobicContact CD1-CE 4.29Å; F51-M94 HydrophobicContact CE1-CE 3.6Å; F51-M94 HydrophobicContact CE2-CE 4.1Å; F51-M94 HydrophobicContact CZ-CE 3.5Å; F51-M94 VanDerWaalsContact CZ-CE 3.5Å; F66-M94 HydrophobicContact CE2-SD 4.49Å; F66-M94 HydrophobicContact CZ-SD 4.14Å; V86-M94 HydrophobicContact CG1-CB 3.86Å; V86-M94 HydrophobicContact CG1-CG 4.24Å; V86-M94 HydrophobicContact CG1-SD 4.1Å; K87-M94 CarbonylContact O-C 3.57Å; K87-M94 VanDerWaalsContact O-CA 3.29Å; K87-M94 WeakPolarHBondContact O-CA 2.84Å; W88-M94 HydrophobicContact CE3-CB 3.93Å; W88-M94 HydrophobicContact CH2-CE 3.55Å; W88-M94 HydrophobicContact CZ2-CE 4.43Å; W88-M94 HydrophobicContact CZ3-CB 3.91Å; W88-M94 HydrophobicContact CZ3-CE 3.74Å; M94-W110 HydrophobicContact CG-CZ3 4.21Å; M94-W110 HydrophobicContact SD-CH2 4.38Å; M94-W110 HydrophobicContact SD-CZ3 4.08Å; M94-T111 CarbonylContact O-C 3.55Å; M94-T111 WeakPolarHBondContact O-CA 3.41Å; M94-T111 WeakPolarHBondContact O-CB 3.28Å; M94-R112 HydrophobicContact CG-CB 3.85Å; M94-R112 PolarHBondContact N-O 2.87Å; M94-R112 PolarHBondContact O-N 2.72Å; M94-R112 HydrophobicContact SD-CB 4.19Å
95V98.7Very high97.3Very high34 Ų3472 Ų7221%0.20637%0.368CS..EExtended strand (participates in β ladder)trans-126.1140.2177.4-59.20000109.2V86 K87 E89 T111V86-V95 CarbonylContact C-O 3.6Å; V86-V95 VanDerWaalsContact CA-O 3.3Å; V86-V95 WeakPolarHBondContact CA-O 3.37Å; K87-V95 HydrophobicContact CB-CG2 4.42Å; K87-V95 PolarHBondContact N-O 3.4Å; K87-V95 PolarHBondContact O-N 2.81Å; E89-V95 HydrophobicContact CB-CG1 3.73Å; E89-V95 HydrophobicContact CB-CG2 4.28Å; E89-V95 HydrophobicContact CG-CG1 4.37Å; V95-T111 HydrophobicContact CB-CG2 4.22Å; V95-T111 HydrophobicContact CG1-CG2 3.72Å
96C98.8Very high97.2Very high1 Ų171.5 Ų71.51%0.00737%0.367CS..EExtended strand (participates in β ladder)trans-123.7123.9-179.9-173.20000110.3L85 V86 S109 W110L85-C96 WeakPolarHBondContact O-CA 3.23Å; V86-C96 HydrophobicContact CG2-CB 3.83Å; C96-S109 VanDerWaalsContact O-CA 3.25Å; C96-S109 WeakPolarHBondContact O-CA 3.25Å; C96-S109 WeakPolarHBondContact O-CB 3.48Å; C96-W110 HydrophobicContact CB-CD2 3.34Å; C96-W110 HydrophobicContact CB-CE3 3.76Å; C96-W110 HydrophobicContact CB-CG 3.87Å; C96-W110 HydrophobicContact CB-CH2 3.78Å; C96-W110 HydrophobicContact CB-CZ2 3.39Å; C96-W110 HydrophobicContact CB-CZ3 3.95Å; C96-W110 WeakPolarHBondContact CB-O 3.46Å; C96-W110 PolarHBondContact N-O 2.89Å; C96-W110 PolarHBondContact O-N 2.83Å; C96-W110 VanDerWaalsContact O-N 3.1Å; C96-W110 VanDerWaalsContact SG-CZ2 3.54Å; C96-W110 PolarHBondContact SG-NE1 3.47Å; C96-W110 VanDerWaalsContact SG-NE1 3.39Å
97E98.4Very high97.1Very high97 Ų9778.7 Ų78.745%0.45340%0.399SS..EExtended strand (participates in β ladder)trans-94.1134.4169.2-61.5-173148.300109.8S84 L85S84-E97 VanDerWaalsContact CA-O 3.32Å; S84-E97 WeakPolarHBondContact CA-O 3.3Å; L85-E97 PolarHBondContact N-O 3.01Å; L85-E97 VanDerWaalsContact N-O 3.09Å; L85-E97 PolarHBondContact O-N 2.54Å; L85-E97 VanDerWaalsContact O-N 3.13Å
98Q98.5Very high97.1Very high21 Ų2174 Ų7410%0.09838%0.379CS..EExtended strand (participates in β ladder)trans-113.3136.9178.4-55.8-172.6-53.400110.9E74 C82 K83 T108E74-Q98 PolarHBondContact OE1-NE2 3.14Å; C82-Q98 HydrophobicContact CB-CB 4.46Å; K83-Q98 CarbonylContact O-C 3.57Å; K83-Q98 WeakPolarHBondContact O-CA 3.44Å; Q98-T108 WeakPolarHBondContact CB-OG1 3.43Å; Q98-T108 PolarHBondContact N-O 2.74Å; Q98-T108 PolarHBondContact OE1-OG1 3.44Å
99K97.9Very high97.1Very high130 Ų13071.6 Ų71.657%0.56538%0.375SS*.EExtended strand (participates in β ladder)trans-129120.3177-65.2177.4-174.2168.70109.7C82 K83 L101C82-K99 CarbonylContact C-O 3.6Å; C82-K99 WeakPolarHBondContact CA-O 3.43Å; C82-K99 VanDerWaalsContact CB-O 3.23Å; C82-K99 WeakPolarHBondContact CB-O 3.48Å; K83-K99 PolarHBondContact N-O 3.42Å; K83-K99 PolarHBondContact O-N 3.04Å; K99-L101 PolarHBondContact O-N 3Å
100L98Very high97.2Very high42 Ų4266.9 Ų66.922%0.2235%0.352CS..EExtended strand (participates in β ladder)trans-59138.3-178.9-63.5172.2000111.4T76 R80 C82 K102T76-L100 HydrophobicContact CG2-CD2 3.85Å; R80-L100 HydrophobicContact CB-CD2 3.7Å; C82-L100 HydrophobicContact CB-CD2 4.48Å; L100-K102 VanDerWaalsContact C-N 3.26Å
101L97.1Very high97.3Very high85 Ų8565.2 Ų65.245%0.44534%0.339SS..SBendtrans-70.7-27.4173.3-62.3-174000111.9P81 K83 K99P81-L101 HydrophobicContact CB-CB 4.42Å; P81-L101 HydrophobicContact CB-CD1 3.72Å; P81-L101 HydrophobicContact CB-CG 4.14Å; P81-L101 PolarHBondContact O-N 2.97Å; K83-L101 HydrophobicContact CB-CD2 4.35Å; K83-L101 HydrophobicContact CD-CD2 4.49Å; K83-L101 HydrophobicContact CG-CD2 3.72Å; K99-L101 PolarHBondContact O-N 3Å
102K95.5Very high97.4Very high191 Ų19159.5 Ų59.583%0.8331%0.312SS*.SBendtrans-148.8139.2-178.5-174.7178.4179.6-179.20111.1L100L100-K102 VanDerWaalsContact C-N 3.26Å
103G94.1Very high97.5Very high60 Ų6060.5 Ų60.562%0.61932%0.315SS*.SBendtrans79.4-172176.500000112.8
104E93.9Very high97.5Very high186 Ų18659.7 Ų59.787%0.86931%0.313SS*.  trans-122.7169.5-179.6-63.5-176.8176.100110.2R80R80-E104 PolarHBondContact NH1-O 3.32Å; R80-E104 VanDerWaalsContact NH1-O 3.14Å
105G94.5Very high97.4Very high46 Ų4661.1 Ų61.147%0.47432%0.321SS..  trans167.3-170.8173.800000111.5
106P96.7Very high97.1Very high25 Ų2567.2 Ų67.216%0.16235%0.353CS..SBendtrans-51.4143.4176.1-30.237.9000111.9V22 L23 T108 A126 D127V22-P106 HydrophobicContact CG1-CB 4.3Å; V22-P106 HydrophobicContact CG1-CG 4.05Å; L23-P106 HydrophobicContact CD2-CB 4.19Å; L23-P106 HydrophobicContact CD2-CG 4.25Å; P106-T108 PolarHBondContact O-N 3.25Å; P106-A126 HydrophobicContact CB-CB 4.22Å; P106-D127 WeakPolarHBondContact CA-OD1 3.4Å; P106-D127 WeakPolarHBondContact CA-OD2 3.19Å; P106-D127 VanDerWaalsContact CB-OD2 3.28Å; P106-D127 WeakPolarHBondContact CB-OD2 3.22Å
107K97.2Very high96.8Very high151 Ų15173 Ų7366%0.65738%0.384SS*.  trans-68.5122.3171.5-176.1-177.9178.7-175.70108.3A126 D127K107-A126 WeakPolarHBondContact O-CA 3.44Å; K107-D127 PolarHBondContact N-OD1 3.23Å; K107-D127 PolarHBondContact O-N 3.43Å
108T98.4Very high96.6Very high9 Ų970 Ų706%0.05538%0.379CS..EExtended strand (participates in β ladder)trans-112.8146.5179.4620000112.7L23 Q98 P106 T125 A126L23-T108 HydrophobicContact CD2-CG2 3.71Å; Q98-T108 WeakPolarHBondContact CB-OG1 3.43Å; Q98-T108 PolarHBondContact N-O 2.74Å; Q98-T108 PolarHBondContact OE1-OG1 3.44Å; P106-T108 PolarHBondContact O-N 3.25Å; T108-T125 VanDerWaalsContact CA-O 3.3Å; T108-T125 WeakPolarHBondContact CA-O 3.35Å; T108-A126 HydrophobicContact CG2-CB 4.27Å
109S98.5Very high96.6Very high31 Ų3171.2 Ų71.222%0.21738%0.384CS..EExtended strand (participates in β ladder)trans-152164.217376.80000110.2C96 M124 T125C96-S109 VanDerWaalsContact O-CA 3.25Å; C96-S109 WeakPolarHBondContact O-CA 3.25Å; C96-S109 WeakPolarHBondContact O-CB 3.48Å; S109-M124 WeakPolarHBondContact O-CA 3.41Å; S109-T125 PolarHBondContact N-O 3.33Å; S109-T125 PolarHBondContact N-OG1 2.89Å; S109-T125 PolarHBondContact O-N 3.1Å; S109-T125 PolarHBondContact OG-OG1 3.47Å
110W98.7Very high96.6Very high19 Ų1965 Ų657%0.07236%0.358CS..EExtended strand (participates in β ladder)trans-139.9154.5167.559.1-101.4000111.5I64 F66 F72 E74 V86 M94 C96 R112 L122 T123 M124I64-W110 HydrophobicContact CD1-CZ2 4.29Å; F66-W110 HydrophobicContact CE1-CH2 4.23Å; F66-W110 HydrophobicContact CZ-CH2 4.05Å; F72-W110 HydrophobicContact CZ-CZ2 4.49Å; E74-W110 PolarHBondContact OE1-NE1 3.01Å; V86-W110 HydrophobicContact CG2-CH2 3.55Å; V86-W110 HydrophobicContact CG2-CZ2 3.74Å; M94-W110 HydrophobicContact CG-CZ3 4.21Å; M94-W110 HydrophobicContact SD-CH2 4.38Å; M94-W110 HydrophobicContact SD-CZ3 4.08Å; C96-W110 HydrophobicContact CB-CD2 3.34Å; C96-W110 HydrophobicContact CB-CE3 3.76Å; C96-W110 HydrophobicContact CB-CG 3.87Å; C96-W110 HydrophobicContact CB-CH2 3.78Å; C96-W110 HydrophobicContact CB-CZ2 3.39Å; C96-W110 HydrophobicContact CB-CZ3 3.95Å; C96-W110 WeakPolarHBondContact CB-O 3.46Å; C96-W110 PolarHBondContact N-O 2.89Å; C96-W110 PolarHBondContact O-N 2.83Å; C96-W110 VanDerWaalsContact O-N 3.1Å; C96-W110 VanDerWaalsContact SG-CZ2 3.54Å; C96-W110 PolarHBondContact SG-NE1 3.47Å; C96-W110 VanDerWaalsContact SG-NE1 3.39Å; W110-R112 HydrophobicContact CE3-CG 4.24Å; W110-R112 HydrophobicContact CZ3-CG 4.14Å; W110-L122 HydrophobicContact CB-CD1 4.31Å; W110-T123 CarbonylContact C-O 3.54Å; W110-T123 WeakPolarHBondContact CA-O 3.41Å; W110-M124 HydrophobicContact CB-CG 4.22Å
111T98.7Very high96.6Very high19 Ų1964.6 Ų64.612%0.11736%0.355CS..EExtended strand (participates in β ladder)trans-130.3151.1175.378.30000110.2M94 V95 L122 T123M94-T111 CarbonylContact O-C 3.55Å; M94-T111 WeakPolarHBondContact O-CA 3.41Å; M94-T111 WeakPolarHBondContact O-CB 3.28Å; V95-T111 HydrophobicContact CB-CG2 4.22Å; V95-T111 HydrophobicContact CG1-CG2 3.72Å; T111-L122 WeakPolarHBondContact O-CA 3.39Å; T111-L122 WeakPolarHBondContact O-CD1 3.46Å; T111-T123 PolarHBondContact N-O 2.89Å; T111-T123 PolarHBondContact O-N 3.45Å; T111-T123 WeakPolarHBondContact OG1-CB 3.48Å
112R98.5Very high96.7Very high14 Ų1461.1 Ų61.15%0.05334%0.337CS..EExtended strand (participates in β ladder)trans-129.2125.5168.5-73-178.4-177.1-99.82.4109.5F4 K93 M94 W110 L120 I121 L122F4-R112 HydrophobicContact CE1-CB 4.26Å; K93-R112 WeakPolarHBondContact CA-O 3.47Å; M94-R112 HydrophobicContact CG-CB 3.85Å; M94-R112 PolarHBondContact N-O 2.87Å; M94-R112 PolarHBondContact O-N 2.72Å; M94-R112 HydrophobicContact SD-CB 4.19Å; W110-R112 HydrophobicContact CE3-CG 4.24Å; W110-R112 HydrophobicContact CZ3-CG 4.14Å; R112-L120 HydrophobicContact CB-CD1 4.12Å; R112-L120 HydrophobicContact CG-CD1 4.49Å; R112-I121 CarbonylContact C-O 3.54Å; R112-I121 VanDerWaalsContact CA-O 3.32Å; R112-I121 WeakPolarHBondContact CA-O 3.39Å; R112-L122 HydrophobicContact CG-CD1 4.1Å
113E98.4Very high96.8Very high66 Ų6653.3 Ų53.331%0.30831%0.305SS..EExtended strand (participates in β ladder)trans-126.3129.1-179.4-176.5166.8-163.400110N92 K93 L120 I121N92-E113 CarbonylContact O-C 3.56Å; N92-E113 VanDerWaalsContact O-CA 3.31Å; N92-E113 WeakPolarHBondContact O-CA 3.3Å; K93-E113 HydrophobicContact CB-CB 4.18Å; K93-E113 HydrophobicContact CB-CG 4.06Å; K93-E113 HydrophobicContact CD-CB 4.24Å; K93-E113 HydrophobicContact CD-CG 4.3Å; K93-E113 HydrophobicContact CG-CB 3.96Å; K93-E113 HydrophobicContact CG-CG 4.27Å; E113-L120 WeakPolarHBondContact O-CA 3.34Å; E113-I121 HydrophobicContact CB-CB 4.43Å; E113-I121 PolarHBondContact N-O 3.14Å; E113-I121 PolarHBondContact O-N 3.36Å
114L98.2Very high97Very high25 Ų2551.4 Ų51.413%0.13128%0.281CS..EExtended strand (participates in β ladder)trans-94.7118.2172.3-170.769.9000108.6P2 F4 W8 N92P2-L114 HydrophobicContact CB-CD2 3.98Å; F4-L114 HydrophobicContact CD1-CB 4.4Å; F4-L114 HydrophobicContact CE1-CB 3.85Å; F4-L114 HydrophobicContact CZ-CB 3.99Å; W8-L114 HydrophobicContact CH2-CD1 3.53Å; W8-L114 HydrophobicContact CZ2-CD1 4.04Å; N92-L114 WeakPolarHBondContact CB-O 3.29Å; N92-L114 PolarHBondContact O-N 2.87Å
115T96.9Very high97.3Very high31 Ų3144 Ų4419%0.1925%0.248CC..  trans-82.8163.4-179.959.40000111.2D117 G118 E119 I121T115-D117 WeakPolarHBondContact CB-OD1 3.24Å; T115-D117 PolarHBondContact O-N 3.19Å; T115-D117 PolarHBondContact OG1-OD1 3.17Å; T115-G118 PolarHBondContact O-N 2.74Å; T115-E119 HydrophobicContact CG2-CB 4.47Å; T115-E119 PolarHBondContact N-O 2.84Å; T115-E119 WeakPolarHBondContact OG1-CA 3.35Å; T115-E119 VanDerWaalsContact OG1-CB 3.31Å; T115-E119 WeakPolarHBondContact OG1-CB 3.39Å; T115-E119 PolarHBondContact OG1-N 2.96Å; T115-E119 PolarHBondContact OG1-O 2.7Å; T115-E119 VanDerWaalsContact OG1-O 3.06Å; T115-I121 HydrophobicContact CG2-CD1 3.47Å; T115-I121 VanDerWaalsContact CG2-CD1 3.47Å; T115-I121 HydrophobicContact CG2-CG1 3.91Å
116N92.8Very high97.4Very high163 Ų16341.9 Ų41.987%0.87223%0.226SC*.THydrogen-bonded Turntrans-67.5-22.8-179.6-68.8-19.5000113.5G118N116-G118 VanDerWaalsContact C-N 3.3Å
117D91.7Very high97.4Very high121 Ų12144.8 Ų44.865%0.64724%0.24SC*.THydrogen-bonded Turntrans-873.3173.656.9-7.7000113.1T115T115-D117 WeakPolarHBondContact CB-OD1 3.24Å; T115-D117 PolarHBondContact O-N 3.19Å; T115-D117 PolarHBondContact OG1-OD1 3.17Å
118G94.6Very high97.4Very high34 Ų3445.1 Ų45.135%0.35125%0.249SC..SBendtrans86.711.6171.900000115W8 T115 N116W8-G118 WeakPolarHBondContact CZ3-O 3.36Å; T115-G118 PolarHBondContact O-N 2.74Å; N116-G118 VanDerWaalsContact C-N 3.3Å
119E97.8Very high97.3Very high47 Ų4746.4 Ų46.422%0.2226%0.257CS..  trans-78.4150.2170.2-53-171.6147.500111.1T115 V134 Y135 V136T115-E119 HydrophobicContact CG2-CB 4.47Å; T115-E119 PolarHBondContact N-O 2.84Å; T115-E119 WeakPolarHBondContact OG1-CA 3.35Å; T115-E119 VanDerWaalsContact OG1-CB 3.31Å; T115-E119 WeakPolarHBondContact OG1-CB 3.39Å; T115-E119 PolarHBondContact OG1-N 2.96Å; T115-E119 PolarHBondContact OG1-O 2.7Å; T115-E119 VanDerWaalsContact OG1-O 3.06Å; E119-V134 HydrophobicContact CB-CG1 3.98Å; E119-V134 HydrophobicContact CG-CG1 4.38Å; E119-V134 WeakPolarHBondContact OE2-CG1 3.41Å; E119-Y135 CarbonylContact C-O 3.54Å; E119-Y135 WeakPolarHBondContact CA-O 3.24Å; E119-V136 HydrophobicContact CG-CG1 4.39Å
120L98.4Very high97.3Very high0 Ų048 Ų480%027%0.265CS..EExtended strand (participates in β ladder)trans-108.8116.4171.1172.364000109F4 W8 I44 R112 E113 V134 Y135F4-L120 HydrophobicContact CD1-CD1 3.73Å; F4-L120 HydrophobicContact CE1-CD1 3.77Å; W8-L120 HydrophobicContact CB-CD2 4.49Å; W8-L120 HydrophobicContact CD2-CB 3.92Å; W8-L120 HydrophobicContact CD2-CD2 3.66Å; W8-L120 HydrophobicContact CD2-CG 4.46Å; W8-L120 HydrophobicContact CE3-CB 3.48Å; W8-L120 VanDerWaalsContact CE3-CB 3.48Å; W8-L120 HydrophobicContact CE3-CD2 4.11Å; W8-L120 HydrophobicContact CE3-CG 4.46Å; W8-L120 HydrophobicContact CG-CD2 3.84Å; W8-L120 HydrophobicContact CH2-CB 3.69Å; W8-L120 HydrophobicContact CZ2-CB 4.09Å; W8-L120 HydrophobicContact CZ2-CD2 4.29Å; W8-L120 HydrophobicContact CZ3-CB 3.37Å; I44-L120 HydrophobicContact CD1-CD2 3.65Å; R112-L120 HydrophobicContact CB-CD1 4.12Å; R112-L120 HydrophobicContact CG-CD1 4.49Å; E113-L120 WeakPolarHBondContact O-CA 3.34Å; L120-V134 WeakPolarHBondContact O-CA 3.32Å; L120-Y135 PolarHBondContact N-O 3.37Å; L120-Y135 WeakPolarHBondContact O-CD2 3.22Å; L120-Y135 PolarHBondContact O-N 3.19Å
121I98.6Very high97.3Very high34 Ų3447.1 Ų47.117%0.17426%0.262CS..EExtended strand (participates in β ladder)trans-98.1117.5176.6-56.1177.1000108.8R112 E113 T115 T132 V134R112-I121 CarbonylContact C-O 3.54Å; R112-I121 VanDerWaalsContact CA-O 3.32Å; R112-I121 WeakPolarHBondContact CA-O 3.39Å; E113-I121 HydrophobicContact CB-CB 4.43Å; E113-I121 PolarHBondContact N-O 3.14Å; E113-I121 PolarHBondContact O-N 3.36Å; T115-I121 HydrophobicContact CG2-CD1 3.47Å; T115-I121 VanDerWaalsContact CG2-CD1 3.47Å; T115-I121 HydrophobicContact CG2-CG1 3.91Å; I121-T132 HydrophobicContact CG2-CG2 3.89Å; I121-V134 HydrophobicContact CG1-CG2 4.39Å
122L98.5Very high97.3Very high11 Ų1147.7 Ų47.76%0.05827%0.265CS..EExtended strand (participates in β ladder)trans-99.4122.3167.4170.563.8000108.7W110 T111 R112 M124 T132 R133 Y135W110-L122 HydrophobicContact CB-CD1 4.31Å; T111-L122 WeakPolarHBondContact O-CA 3.39Å; T111-L122 WeakPolarHBondContact O-CD1 3.46Å; R112-L122 HydrophobicContact CG-CD1 4.1Å; L122-M124 HydrophobicContact CD1-CG 4.16Å; L122-M124 HydrophobicContact CD2-CE 4.42Å; L122-M124 HydrophobicContact CD2-CG 4.46Å; L122-M124 HydrophobicContact CD2-SD 4.28Å; L122-M124 HydrophobicContact CG-CG 4.19Å; L122-T132 CarbonylContact O-C 3.45Å; L122-T132 WeakPolarHBondContact O-CA 3.35Å; L122-R133 HydrophobicContact CB-CB 4.28Å; L122-R133 PolarHBondContact N-O 3.38Å; L122-R133 PolarHBondContact O-N 2.89Å; L122-Y135 HydrophobicContact CB-CE2 3.92Å; L122-Y135 HydrophobicContact CD2-CE2 4.26Å
123T98.6Very high97.3Very high27 Ų2747.7 Ų47.717%0.16627%0.265CS..EExtended strand (participates in β ladder)trans-112.1132.6169.1-570000108.9W110 T111 T125 V130 C131W110-T123 CarbonylContact C-O 3.54Å; W110-T123 WeakPolarHBondContact CA-O 3.41Å; T111-T123 PolarHBondContact N-O 2.89Å; T111-T123 PolarHBondContact O-N 3.45Å; T111-T123 WeakPolarHBondContact OG1-CB 3.48Å; T123-T125 HydrophobicContact CG2-CG2 4.37Å; T123-V130 HydrophobicContact CG2-CG1 3.37Å; T123-C131 CarbonylContact C-O 3.6Å; T123-C131 WeakPolarHBondContact CA-O 3.36Å
124M98.4Very high97.3Very high21 Ų2144.5 Ų44.510%0.10325%0.251CS..EExtended strand (participates in β ladder)trans-120.3137.1174-63.8173.2-6800108.4F16 L19 V77 S109 W110 L122 C131 R133F16-M124 HydrophobicContact CD2-CE 3.98Å; F16-M124 HydrophobicContact CE2-CE 4.15Å; L19-M124 HydrophobicContact CD2-CB 3.8Å; L19-M124 HydrophobicContact CD2-CE 4.23Å; L19-M124 HydrophobicContact CD2-SD 4.42Å; V77-M124 HydrophobicContact CG2-SD 4.15Å; S109-M124 WeakPolarHBondContact O-CA 3.41Å; W110-M124 HydrophobicContact CB-CG 4.22Å; L122-M124 HydrophobicContact CD1-CG 4.16Å; L122-M124 HydrophobicContact CD2-CE 4.42Å; L122-M124 HydrophobicContact CD2-CG 4.46Å; L122-M124 HydrophobicContact CD2-SD 4.28Å; L122-M124 HydrophobicContact CG-CG 4.19Å; M124-C131 HydrophobicContact CB-CB 4.41Å; M124-C131 HydrophobicContact CE-CB 4.23Å; M124-C131 VanDerWaalsContact CE-SG 3.51Å; M124-C131 PolarHBondContact N-O 3.42Å; M124-C131 PolarHBondContact O-N 3.4Å; M124-R133 HydrophobicContact CE-CG 4.47Å
125T98.5Very high97.3Very high31 Ų3143.4 Ų43.419%0.1925%0.245CC..EExtended strand (participates in β ladder)trans-123.1147.1178.975.10000111.7T108 S109 T123 V129 V130T108-T125 VanDerWaalsContact CA-O 3.3Å; T108-T125 WeakPolarHBondContact CA-O 3.35Å; S109-T125 PolarHBondContact N-O 3.33Å; S109-T125 PolarHBondContact N-OG1 2.89Å; S109-T125 PolarHBondContact O-N 3.1Å; S109-T125 PolarHBondContact OG-OG1 3.47Å; T123-T125 HydrophobicContact CG2-CG2 4.37Å; T125-V129 VanDerWaalsContact CA-O 3.28Å; T125-V129 WeakPolarHBondContact CA-O 3.33Å; T125-V130 HydrophobicContact CG2-CG2 4.25Å
126A98.1Very high97.3Very high0 Ų044.3 Ų44.30%025%0.25CS..EExtended strand (participates in β ladder)trans-140108.8166.300000107.1L19 V22 L23 P106 K107 T108 D128 V129L19-A126 HydrophobicContact CD1-CB 3.63Å; L19-A126 HydrophobicContact CG-CB 4.44Å; V22-A126 HydrophobicContact CG1-CB 4.13Å; L23-A126 HydrophobicContact CD1-CB 4.39Å; L23-A126 HydrophobicContact CD2-CB 3.83Å; L23-A126 HydrophobicContact CG-CB 3.91Å; P106-A126 HydrophobicContact CB-CB 4.22Å; K107-A126 WeakPolarHBondContact O-CA 3.44Å; T108-A126 HydrophobicContact CG2-CB 4.27Å; A126-D128 PolarHBondContact O-N 3.18Å; A126-V129 PolarHBondContact N-O 2.9Å; A126-V129 PolarHBondContact O-N 3.37Å
127D96Very high97.5Very high86 Ų8641.5 Ų41.546%0.4623%0.227SC..THydrogen-bonded Turntrans48.3-123.2-165.3-60.2-32.3000110.9P106 K107 V129P106-D127 WeakPolarHBondContact CA-OD1 3.4Å; P106-D127 WeakPolarHBondContact CA-OD2 3.19Å; P106-D127 VanDerWaalsContact CB-OD2 3.28Å; P106-D127 WeakPolarHBondContact CB-OD2 3.22Å; K107-D127 PolarHBondContact N-OD1 3.23Å; K107-D127 PolarHBondContact O-N 3.43Å; D127-V129 VanDerWaalsContact C-N 3.32Å
128D96.3Very high97.4Very high159 Ų15945.3 Ų45.385%0.8524%0.241SC*.THydrogen-bonded Turntrans-84-4.9-177.8-59.1-34.6000113.6A126A126-D128 PolarHBondContact O-N 3.18Å
129V98.1Very high97.5Very high36 Ų3645.9 Ų45.922%0.21824%0.236CC..EExtended strand (participates in β ladder)trans-88.5128.7-179.3173.90000110.8D18 L19 V22 T125 A126 D127D18-V129 HydrophobicContact CB-CG1 4.31Å; L19-V129 HydrophobicContact CB-CG1 4.32Å; L19-V129 HydrophobicContact CD1-CG1 4.37Å; V22-V129 HydrophobicContact CG2-CB 4.14Å; V22-V129 HydrophobicContact CG2-CG2 3.52Å; T125-V129 VanDerWaalsContact CA-O 3.28Å; T125-V129 WeakPolarHBondContact CA-O 3.33Å; A126-V129 PolarHBondContact N-O 2.9Å; A126-V129 PolarHBondContact O-N 3.37Å; D127-V129 VanDerWaalsContact C-N 3.32Å
130V98.5Very high97.5Very high65 Ų6545.8 Ų45.839%0.39424%0.237SC..EExtended strand (participates in β ladder)trans-115.1127.3179.8-175.20000109.5N15 T123 T125N15-V130 WeakPolarHBondContact CB-O 3.2Å; N15-V130 PolarHBondContact ND2-O 2.88Å; T123-V130 HydrophobicContact CG2-CG1 3.37Å; T125-V130 HydrophobicContact CG2-CG2 4.25Å
131C98.4Very high97.5Very high0 Ų048.4 Ų48.40%025%0.25CC..EExtended strand (participates in β ladder)trans-109.8130.4168.11710000109.1E14 F16 L19 T123 M124E14-C131 WeakPolarHBondContact O-CA 3.3Å; E14-C131 PolarHBondContact O-SG 3.31Å; F16-C131 VanDerWaalsContact CA-SG 3.59Å; L19-C131 HydrophobicContact CB-CB 4.03Å; L19-C131 HydrophobicContact CD1-CB 4.39Å; L19-C131 HydrophobicContact CD2-CB 3.86Å; L19-C131 HydrophobicContact CG-CB 4.32Å; T123-C131 CarbonylContact C-O 3.6Å; T123-C131 WeakPolarHBondContact CA-O 3.36Å; M124-C131 HydrophobicContact CB-CB 4.41Å; M124-C131 HydrophobicContact CE-CB 4.23Å; M124-C131 VanDerWaalsContact CE-SG 3.51Å; M124-C131 PolarHBondContact N-O 3.42Å; M124-C131 PolarHBondContact O-N 3.4Å
132T98.6Very high97.4Very high31 Ų3149.2 Ų49.219%0.1925%0.254CS..EExtended strand (participates in β ladder)trans-118.5133.1177.9-58.40000110S13 E14 I121 L122 V134S13-T132 WeakPolarHBondContact CA-O 3.4Å; E14-T132 PolarHBondContact N-O 2.74Å; E14-T132 PolarHBondContact O-N 3.05Å; I121-T132 HydrophobicContact CG2-CG2 3.89Å; L122-T132 CarbonylContact O-C 3.45Å; L122-T132 WeakPolarHBondContact O-CA 3.35Å; T132-V134 HydrophobicContact CG2-CG2 4.4Å
133R98.3Very high97.3Very high13 Ų1351.6 Ų51.65%0.04927%0.266CS..EExtended strand (participates in β ladder)trans-128.1131.4174.9-67.9-175.2167.5-170.1-3.3109.5I10 R12 S13 F16 L122 M124 Y135I10-R133 HydrophobicContact CD1-CB 4.06Å; I10-R133 HydrophobicContact CD1-CG 4.01Å; R12-R133 CarbonylContact O-C 3.59Å; R12-R133 VanDerWaalsContact O-CA 3.3Å; R12-R133 WeakPolarHBondContact O-CA 3.26Å; S13-R133 PolarHBondContact OG-NE 3.41Å; F16-R133 VanDerWaalsContact CE2-NH2 3.34Å; F16-R133 VanDerWaalsContact CZ-NH2 3.32Å; L122-R133 HydrophobicContact CB-CB 4.28Å; L122-R133 PolarHBondContact N-O 3.38Å; L122-R133 PolarHBondContact O-N 2.89Å; M124-R133 HydrophobicContact CE-CG 4.47Å; R133-Y135 HydrophobicContact CB-CD2 4.46Å; R133-Y135 HydrophobicContact CB-CE2 3.55Å; R133-Y135 WeakPolarHBondContact CD-OH 3.43Å
134V98.3Very high97.3Very high0 Ų053.3 Ų53.30%027%0.273CS..EExtended strand (participates in β ladder)trans-115.2136179.9-172.10000109.3I10 I11 R12 E119 L120 I121 T132I10-V134 WeakPolarHBondContact CA-O 3.31Å; I10-V134 WeakPolarHBondContact CG1-O 3.37Å; I11-V134 HydrophobicContact CD1-CB 4.48Å; I11-V134 HydrophobicContact CD1-CG1 3.94Å; I11-V134 HydrophobicContact CG1-CB 4.1Å; I11-V134 HydrophobicContact CG1-CG1 4Å; I11-V134 WeakPolarHBondContact CG1-O 3.28Å; I11-V134 PolarHBondContact N-O 2.99Å; R12-V134 HydrophobicContact CB-CB 4.02Å; R12-V134 HydrophobicContact CB-CG2 4.18Å; R12-V134 PolarHBondContact N-O 3.48Å; R12-V134 PolarHBondContact O-N 2.73Å; E119-V134 HydrophobicContact CB-CG1 3.98Å; E119-V134 HydrophobicContact CG-CG1 4.38Å; E119-V134 WeakPolarHBondContact OE2-CG1 3.41Å; L120-V134 WeakPolarHBondContact O-CA 3.32Å; I121-V134 HydrophobicContact CG1-CG2 4.39Å; T132-V134 HydrophobicContact CG2-CG2 4.4Å
135Y98.3Very high97.2Very high2 Ų255.6 Ų55.61%0.00829%0.285CS..EExtended strand (participates in β ladder)trans-126.8150.5-177.7-56.5-106.2000110.4W8 K9 I10 P40 V42 E119 L120 L122 R133W8-Y135 HydrophobicContact CB-CD1 4.24Å; W8-Y135 HydrophobicContact CB-CG 4.42Å; K9-Y135 CarbonylContact O-C 3.58Å; K9-Y135 WeakPolarHBondContact O-CA 3.29Å; I10-Y135 HydrophobicContact CB-CD1 3.91Å; I10-Y135 HydrophobicContact CB-CE1 3.78Å; I10-Y135 HydrophobicContact CD1-CE1 4.28Å; I10-Y135 HydrophobicContact CG1-CD1 4.26Å; I10-Y135 HydrophobicContact CG1-CE1 3.99Å; P40-Y135 HydrophobicContact CG-CE1 4.07Å; V42-Y135 HydrophobicContact CB-CE1 4.38Å; V42-Y135 HydrophobicContact CG2-CD1 4.29Å; V42-Y135 HydrophobicContact CG2-CE1 3.64Å; E119-Y135 CarbonylContact C-O 3.54Å; E119-Y135 WeakPolarHBondContact CA-O 3.24Å; L120-Y135 PolarHBondContact N-O 3.37Å; L120-Y135 WeakPolarHBondContact O-CD2 3.22Å; L120-Y135 PolarHBondContact O-N 3.19Å; L122-Y135 HydrophobicContact CB-CE2 3.92Å; L122-Y135 HydrophobicContact CD2-CE2 4.26Å; R133-Y135 HydrophobicContact CB-CD2 4.46Å; R133-Y135 HydrophobicContact CB-CE2 3.55Å; R133-Y135 WeakPolarHBondContact CD-OH 3.43Å
136V97.3Very high97.1Very high50 Ų5057.5 Ų57.530%0.30329%0.293SS..EExtended strand (participates in β ladder)trans-116.7153.3167.3-63.60000109W8 K9 I11 E119W8-V136 WeakPolarHBondContact CA-O 3.47Å; W8-V136 VanDerWaalsContact CE3-C 3.41Å; K9-V136 PolarHBondContact N-O 3.22Å; K9-V136 PolarHBondContact O-N 2.74Å; I11-V136 HydrophobicContact CD1-CG1 3.7Å; I11-V136 HydrophobicContact CG1-CG1 4.23Å; I11-V136 HydrophobicContact CG2-CG1 4.14Å; I11-V136 HydrophobicContact CG2-CG2 3.69Å; E119-V136 HydrophobicContact CG-CG1 4.39Å
137R95.8Very high97Very high104 Ų10462.3 Ų62.339%0.39232%0.317SS..EExtended strand (participates in β ladder)trans-64.1140.1172.3-68.1-177.2-174.9-127.4-9.6110N3 S5 N7 W8N3-R137 PolarHBondContact O-NH2 3.24Å; S5-R137 PolarHBondContact O-NH1 3.24Å; S5-R137 PolarHBondContact O-NH2 3.05Å; N7-R137 CarbonylContact O-C 3.55Å; N7-R137 WeakPolarHBondContact O-CA 3.48Å; W8-R137 HydrophobicContact CD2-CG 4.03Å; W8-R137 HydrophobicContact CE3-CG 3.81Å; W8-R137 HydrophobicContact CH2-CG 3.45Å; W8-R137 VanDerWaalsContact CH2-CG 3.45Å; W8-R137 HydrophobicContact CZ2-CG 3.69Å; W8-R137 HydrophobicContact CZ3-CB 4.47Å; W8-R137 HydrophobicContact CZ3-CG 3.51Å
138E90.3Very high97.1Very high201 Ų20160.1 Ų60.194%0.93930%0.304SS*.  trans-76.30165.9-171.3167.9-154.700111.3N7N7-E138 HydrophobicContact CB-CB 4.18Å; N7-E138 PolarHBondContact O-N 3.13Å

Retrieved 138 of 138 residues in 480.1 ms (Link to these results)

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