A0A077ZIQ5_TRITR Loading...

Major sperm protein

Central component in molecular interactions underlying sperm crawling. Forms an extensive filament system that extends from sperm villipoda, along the leading edge of the pseudopod.

AlphaFold DB , UniProt , Accession A0A077ZIQ5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 172 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
1M60.7Low85.2Confident199 Ų19986.4 Ų86.498%0.9849%0.487SS*.  0142.10-66.8-163.6172.800107.5
2S76Confident86.1Confident80 Ų8086.4 Ų86.456%0.55949%0.491SS*.  trans-64.2159.7167.253.40000109.8D4 G5 L6S2-D4 VanDerWaalsContact C-N 3.28Å; S2-D4 PolarHBondContact O-N 3.3Å; S2-G5 PolarHBondContact O-N 3.35Å; S2-G5 VanDerWaalsContact O-N 3.14Å; S2-G5 PolarHBondContact OG-N 3.25Å; S2-L6 PolarHBondContact O-N 2.72Å; S2-L6 VanDerWaalsContact O-N 3.09Å
3A77.4Confident86.9Confident81 Ų8179.9 Ų79.967%0.66946%0.455SS*.Hα-helixtrans-55.3-45.7177.800000111.5G5 L6 E7A3-G5 VanDerWaalsContact C-N 3.31Å; A3-G5 PolarHBondContact O-N 3.08Å; A3-L6 PolarHBondContact O-N 3.09Å; A3-E7 PolarHBondContact O-N 3.41Å
4D84.4Confident87.6Confident123 Ų12374.2 Ų74.266%0.65842%0.422SS*.Hα-helixtrans-61.3-39.1177.8-55.2-24.3000112.3S2 E7 Q8S2-D4 VanDerWaalsContact C-N 3.28Å; S2-D4 PolarHBondContact O-N 3.3Å; D4-E7 PolarHBondContact O-N 3.2Å; D4-Q8 WeakPolarHBondContact O-CB 3.37Å; D4-Q8 PolarHBondContact O-N 3.03Å
5G88.9Confident88.2Confident25 Ų2572.3 Ų72.326%0.25843%0.425SS..Hα-helixtrans-67-37178.800000112.8S2 A3 A9S2-G5 PolarHBondContact O-N 3.35Å; S2-G5 VanDerWaalsContact O-N 3.14Å; S2-G5 PolarHBondContact OG-N 3.25Å; A3-G5 VanDerWaalsContact C-N 3.31Å; A3-G5 PolarHBondContact O-N 3.08Å; G5-A9 WeakPolarHBondContact O-CB 3.35Å; G5-A9 PolarHBondContact O-N 3.15Å
6L88.8Confident88.8Confident57 Ų5772.8 Ų72.830%0.29842%0.422SS..Hα-helixtrans-68.8-45.1174.2178.161.6000111S2 A3 Q8 A9 L10 F47S2-L6 PolarHBondContact O-N 2.72Å; S2-L6 VanDerWaalsContact O-N 3.09Å; A3-L6 PolarHBondContact O-N 3.09Å; L6-Q8 VanDerWaalsContact C-N 3.32Å; L6-Q8 PolarHBondContact O-N 3.29Å; L6-A9 WeakPolarHBondContact O-CB 3.16Å; L6-A9 PolarHBondContact O-N 3.4Å; L6-L10 HydrophobicContact CD1-CD1 4.38Å; L6-L10 HydrophobicContact CD1-CG 4.2Å; L6-L10 HydrophobicContact CG-CD1 4.19Å; L6-L10 HydrophobicContact CG-CG 4.42Å; L6-L10 WeakPolarHBondContact O-CG 3.08Å; L6-L10 PolarHBondContact O-N 2.84Å; L6-F47 HydrophobicContact CD1-CE1 4.39Å
7E88.5Confident89.3Confident87 Ų8768.8 Ų68.841%0.40740%0.398SS..Hα-helixtrans-59.4-45.6178.4-176.7174.4-177.500111.4A3 D4 A9 L10 M11 K123A3-E7 PolarHBondContact O-N 3.41Å; D4-E7 PolarHBondContact O-N 3.2Å; E7-A9 VanDerWaalsContact C-N 3.34Å; E7-A9 PolarHBondContact O-N 3.06Å; E7-L10 PolarHBondContact O-N 3.01Å; E7-M11 WeakPolarHBondContact O-CB 3.2Å; E7-M11 PolarHBondContact O-N 3.19Å; E7-K123 IonicContact OE1-NZ 2.61Å; E7-K123 PolarHBondContact OE1-NZ 2.93Å
8Q91.6Very high89.8Confident141 Ų14170.7 Ų70.766%0.65940%0.401SS*.Hα-helixtrans-61.5-42.7176.1-168.5174.111.100111.5D4 L6 L10 M11 T12D4-Q8 WeakPolarHBondContact O-CB 3.37Å; D4-Q8 PolarHBondContact O-N 3.03Å; L6-Q8 VanDerWaalsContact C-N 3.32Å; L6-Q8 PolarHBondContact O-N 3.29Å; Q8-L10 PolarHBondContact O-N 3.22Å; Q8-M11 PolarHBondContact O-N 3.09Å; Q8-T12 PolarHBondContact O-N 3.14Å; Q8-T12 PolarHBondContact O-OG1 3.38Å; Q8-T12 VanDerWaalsContact O-OG1 3.1Å
9A93.5Very high90.2Very high28 Ų2867.6 Ų67.623%0.23138%0.384CS..Hα-helixtrans-61.8-41.5176.500000112.5G5 L6 E7 T12 A13 F47G5-A9 WeakPolarHBondContact O-CB 3.35Å; G5-A9 PolarHBondContact O-N 3.15Å; L6-A9 WeakPolarHBondContact O-CB 3.16Å; L6-A9 PolarHBondContact O-N 3.4Å; E7-A9 VanDerWaalsContact C-N 3.34Å; E7-A9 PolarHBondContact O-N 3.06Å; A9-T12 PolarHBondContact O-N 3.14Å; A9-A13 VanDerWaalsContact O-CB 3.26Å; A9-A13 WeakPolarHBondContact O-CB 3.31Å; A9-A13 PolarHBondContact O-N 3.02Å; A9-F47 HydrophobicContact CB-CE2 4.33Å; A9-F47 HydrophobicContact CB-CZ 4.26Å
10L93.7Very high90.5Very high13 Ų1367.9 Ų67.97%0.06839%0.387CS..Hα-helixtrans-66.3-41.6176-68.3175.8000111.6L6 E7 Q8 T12 A13 A14 F47 A101 M125L6-L10 HydrophobicContact CD1-CD1 4.38Å; L6-L10 HydrophobicContact CD1-CG 4.2Å; L6-L10 HydrophobicContact CG-CD1 4.19Å; L6-L10 HydrophobicContact CG-CG 4.42Å; L6-L10 WeakPolarHBondContact O-CG 3.08Å; L6-L10 PolarHBondContact O-N 2.84Å; E7-L10 PolarHBondContact O-N 3.01Å; Q8-L10 PolarHBondContact O-N 3.22Å; L10-T12 PolarHBondContact O-N 3.37Å; L10-A13 PolarHBondContact O-N 3.06Å; L10-A14 PolarHBondContact O-N 3.25Å; L10-F47 HydrophobicContact CD2-CD1 3.57Å; L10-F47 HydrophobicContact CD2-CE1 3.78Å; L10-F47 HydrophobicContact CD2-CG 3.99Å; L10-F47 HydrophobicContact CD2-CZ 4.36Å; L10-A101 HydrophobicContact CB-CB 4.06Å; L10-A101 HydrophobicContact CD2-CB 3.81Å; L10-A101 WeakPolarHBondContact O-CB 3.45Å; L10-M125 HydrophobicContact CB-CE 3.94Å; L10-M125 HydrophobicContact CB-SD 3.9Å; L10-M125 HydrophobicContact CD1-CE 4.37Å
11M93.9Very high90.8Very high116 Ų11667 Ų6757%0.57138%0.384SS*.Hα-helixtrans-62.3-44.5176.7-168.6174.4-171.400111.5E7 Q8 A14E7-M11 WeakPolarHBondContact O-CB 3.2Å; E7-M11 PolarHBondContact O-N 3.19Å; Q8-M11 PolarHBondContact O-N 3.09Å; M11-A14 PolarHBondContact O-N 3.02Å
12T96Very high92.2Very high87 Ų8765 Ų6553%0.53437%0.37SS..Hα-helixtrans-61.8-45.1173.3-58.80000111.6Q8 A9 L10 A14 G15Q8-T12 PolarHBondContact O-N 3.14Å; Q8-T12 PolarHBondContact O-OG1 3.38Å; Q8-T12 VanDerWaalsContact O-OG1 3.1Å; A9-T12 PolarHBondContact O-N 3.14Å; L10-T12 PolarHBondContact O-N 3.37Å; T12-A14 VanDerWaalsContact C-N 3.33Å; T12-A14 PolarHBondContact O-N 3.25Å; T12-G15 WeakPolarHBondContact O-CA 3.38Å; T12-G15 PolarHBondContact O-N 3.38Å
13A96.2Very high93Very high2 Ų265.3 Ų65.32%0.01737%0.365CS..Hα-helixtrans-62.1-37.6-179.400000113.1A9 L10 G15 Q16 F47 A101A9-A13 VanDerWaalsContact O-CB 3.26Å; A9-A13 WeakPolarHBondContact O-CB 3.31Å; A9-A13 PolarHBondContact O-N 3.02Å; L10-A13 PolarHBondContact O-N 3.06Å; A13-G15 PolarHBondContact O-N 3.26Å; A13-Q16 WeakPolarHBondContact O-CB 3.28Å; A13-Q16 PolarHBondContact O-N 3.35Å; A13-F47 HydrophobicContact CB-CB 4.13Å; A13-F47 HydrophobicContact CB-CD2 3.44Å; A13-F47 VanDerWaalsContact CB-CD2 3.44Å; A13-F47 HydrophobicContact CB-CE2 4.2Å; A13-F47 HydrophobicContact CB-CG 4.11Å; A13-A101 HydrophobicContact CB-CB 3.81Å
14A96.4Very high93.9Very high0 Ų064.6 Ų64.60%035%0.348CS..Hα-helixtrans-61.6-29.7175.600000112.5L10 M11 T12 Q16 V99 A101 M125 A126 Y128L10-A14 PolarHBondContact O-N 3.25Å; M11-A14 PolarHBondContact O-N 3.02Å; T12-A14 VanDerWaalsContact C-N 3.33Å; T12-A14 PolarHBondContact O-N 3.25Å; A14-Q16 VanDerWaalsContact C-N 3.27Å; A14-Q16 PolarHBondContact O-N 2.9Å; A14-V99 HydrophobicContact CB-CG1 4.28Å; A14-V99 WeakPolarHBondContact O-CG1 3.28Å; A14-A101 HydrophobicContact CB-CB 4.31Å; A14-M125 HydrophobicContact CB-CB 3.39Å; A14-M125 HydrophobicContact CB-CG 4.45Å; A14-M125 HydrophobicContact CB-SD 4.33Å; A14-A126 HydrophobicContact CB-CB 3.8Å; A14-A126 VanDerWaalsContact O-CB 3.31Å; A14-A126 WeakPolarHBondContact O-CB 3.34Å; A14-Y128 PolarHBondContact O-OH 2.88Å; A14-Y128 VanDerWaalsContact O-OH 3.13Å
15G96.9Very high94.5Very high45 Ų4558.9 Ų58.946%0.46432%0.318SS..THydrogen-bonded Turntrans-75.3-8.2173.500000114.8T12 A13 M17 Y128T12-G15 WeakPolarHBondContact O-CA 3.38Å; T12-G15 PolarHBondContact O-N 3.38Å; A13-G15 PolarHBondContact O-N 3.26Å; G15-M17 VanDerWaalsContact C-N 3.33Å; G15-Y128 VanDerWaalsContact CA-OH 3.23Å; G15-Y128 WeakPolarHBondContact CA-OH 2.77Å; G15-Y128 PolarHBondContact O-OH 3.07Å
16Q97.5Very high94.9Very high80 Ų8059.7 Ų59.737%0.37432%0.318SS..THydrogen-bonded Turntrans-96.523.4178.9-61.4177.2-45.500112.6A13 A14 E44 S45A13-Q16 WeakPolarHBondContact O-CB 3.28Å; A13-Q16 PolarHBondContact O-N 3.35Å; A14-Q16 VanDerWaalsContact C-N 3.27Å; A14-Q16 PolarHBondContact O-N 2.9Å; Q16-E44 PolarHBondContact O-N 2.61Å; Q16-S45 VanDerWaalsContact OE1-CA 3.28Å
17M97.4Very high95.2Very high5 Ų557.1 Ų57.13%0.02530%0.304CS..EExtended strand (participates in β ladder)trans-82.6115.3163.8-176.370.876.600109G15 V19 L41 L49 V70 L97 V99 Y128G15-M17 VanDerWaalsContact C-N 3.33Å; M17-V19 HydrophobicContact CG-CG2 4.14Å; M17-L41 HydrophobicContact SD-CB 3.82Å; M17-L49 HydrophobicContact CB-CD1 4.05Å; M17-L49 HydrophobicContact CE-CB 3.73Å; M17-L49 HydrophobicContact CE-CD1 3.73Å; M17-L49 HydrophobicContact CE-CG 4.39Å; M17-L49 HydrophobicContact SD-CD1 4.37Å; M17-V70 HydrophobicContact CE-CB 4.34Å; M17-V70 HydrophobicContact CE-CG2 4.03Å; M17-L97 HydrophobicContact CG-CD2 4.19Å; M17-V99 HydrophobicContact CB-CG1 4.29Å; M17-V99 HydrophobicContact CB-CG2 4.15Å; M17-V99 HydrophobicContact CE-CG1 4.15Å; M17-V99 HydrophobicContact CE-CG2 4.4Å; M17-V99 HydrophobicContact CG-CG2 4.22Å; M17-Y128 HydrophobicContact CB-CE2 3.86Å; M17-Y128 PolarHBondContact N-OH 3.08Å; M17-Y128 WeakPolarHBondContact O-CE1 3.4Å; M17-Y128 PolarHBondContact O-OH 3.46Å; M17-Y128 VanDerWaalsContact O-OH 3.04Å
18K97.8Very high95.5Very high104 Ų10456.9 Ų56.945%0.45231%0.308SS..EExtended strand (participates in β ladder)trans-89.5122.4172.3-177.7174.4-178.3178.90109.7L42 E44K18-L42 HydrophobicContact CB-CB 4.22Å; K18-L42 HydrophobicContact CD-CD2 4.28Å; K18-L42 PolarHBondContact N-O 3.39Å; K18-L42 PolarHBondContact O-N 2.91Å; K18-E44 HydrophobicContact CB-CG 4.4Å; K18-E44 VanDerWaalsContact CD-OE1 3.28Å; K18-E44 WeakPolarHBondContact CD-OE1 3.43Å; K18-E44 IonicContact NZ-OE1 3.02Å
19V97.7Very high95.4Very high12 Ų1251 Ų517%0.07329%0.286CS..EExtended strand (participates in β ladder)trans-109.5132.2-178.7-1730000109.3M17 L39 N40 L41 L97 Y128 I130M17-V19 HydrophobicContact CG-CG2 4.14Å; V19-L39 HydrophobicContact CG1-CD2 4.35Å; V19-N40 CarbonylContact C-O 3.57Å; V19-N40 WeakPolarHBondContact CA-O 3.49Å; V19-L41 HydrophobicContact CB-CD2 4.36Å; V19-L41 HydrophobicContact CG1-CD2 3.91Å; V19-L41 HydrophobicContact CG2-CD2 3.96Å; V19-L97 HydrophobicContact CG2-CD2 3.66Å; V19-Y128 HydrophobicContact CG2-CD1 4.07Å; V19-Y128 HydrophobicContact CG2-CG 4.09Å; V19-I130 HydrophobicContact CG1-CD1 3.84Å
20T97.7Very high95.4Very high73 Ų7353.4 Ų53.445%0.44830%0.299SS..EExtended strand (participates in β ladder)trans-137.4129.3178.8-57.90000110.8L39 N40T20-L39 CarbonylContact O-C 3.52Å; T20-L39 WeakPolarHBondContact O-CA 3.45Å; T20-N40 PolarHBondContact N-O 2.94Å; T20-N40 PolarHBondContact O-N 3.04Å
21P96Very high95.3Very high50 Ų5052.9 Ų52.933%0.32530%0.296SS..SBendcis-57.2152.8-8.526.3-39.4000113.4Q24 I25 L39P21-Q24 WeakPolarHBondContact CB-O 3.44Å; P21-Q24 WeakPolarHBondContact CG-O 3.31Å; P21-I25 HydrophobicContact CG-CG2 3.71Å; P21-L39 HydrophobicContact CG-CD2 4Å
22K91Very high95.3Very high157 Ų15751 Ų5168%0.68329%0.289SS*.  trans-88.6135.4-177.5-164.4-160.4172.3-164.50109.2Q24K22-Q24 PolarHBondContact O-N 3.27Å
23D92.2Very high95.1Very high85 Ų8553 Ų5346%0.45529%0.292SS..SBendtrans60-14.2169.8-51.2-35.1000117.2I130 E131D23-I130 CarbonylContact O-C 3.58Å; D23-I130 WeakPolarHBondContact O-CA 3.22Å; D23-E131 PolarHBondContact O-N 3.47Å
24Q96.4Very high95.1Very high67 Ų6757 Ų5731%0.31331%0.313SS..EExtended strand (participates in β ladder)trans-149.8142.8-178.8-172.2172.286.500112.8P21 K22 E131 K133P21-Q24 WeakPolarHBondContact CB-O 3.44Å; P21-Q24 WeakPolarHBondContact CG-O 3.31Å; K22-Q24 PolarHBondContact O-N 3.27Å; Q24-E131 CarbonylContact C-O 3.59Å; Q24-E131 VanDerWaalsContact CA-O 3.28Å; Q24-E131 WeakPolarHBondContact CA-O 3.49Å; Q24-E131 HydrophobicContact CG-CB 4.46Å; Q24-E131 PolarHBondContact NE2-OE2 2.92Å; Q24-K133 HydrophobicContact CG-CD 4.33Å; Q24-K133 HydrophobicContact CG-CG 4.24Å; Q24-K133 VanDerWaalsContact NE2-CD 3.32Å
25I96.7Very high95.1Very high3 Ų359.4 Ų59.42%0.01532%0.323CS..EExtended strand (participates in β ladder)trans-125.1143.7163.856.6175.4000109.1P21 F27 V37 L39 V80 I130 E131 V132 K133P21-I25 HydrophobicContact CG-CG2 3.71Å; I25-F27 HydrophobicContact CD1-CE2 3.75Å; I25-F27 HydrophobicContact CD1-CZ 4.05Å; I25-F27 HydrophobicContact CG1-CE2 4.32Å; I25-V37 HydrophobicContact CB-CG1 4.29Å; I25-V37 HydrophobicContact CG2-CG1 3.95Å; I25-L39 HydrophobicContact CG2-CD2 3.64Å; I25-L39 HydrophobicContact CG2-CG 4.37Å; I25-V80 HydrophobicContact CD1-CB 4.26Å; I25-V80 HydrophobicContact CD1-CG1 3.79Å; I25-V80 HydrophobicContact CD1-CG2 4.42Å; I25-I130 HydrophobicContact CG1-CG2 4.28Å; I25-I130 HydrophobicContact CG2-CG2 4.06Å; I25-E131 PolarHBondContact N-O 2.82Å; I25-V132 HydrophobicContact CD1-CG1 4.32Å; I25-V132 HydrophobicContact CD1-CG2 3.83Å; I25-V132 HydrophobicContact CG1-CB 4.22Å; I25-V132 HydrophobicContact CG1-CG1 4.16Å; I25-V132 HydrophobicContact CG1-CG2 3.8Å; I25-V132 WeakPolarHBondContact O-CA 3.35Å; I25-K133 PolarHBondContact O-N 3.19Å
26T96.2Very high95.1Very high42 Ų4260.8 Ų60.826%0.25832%0.322SS..EExtended strand (participates in β ladder)trans-119.6129.6178.7-590000109.6K133 E135T26-K133 CarbonylContact C-O 3.57Å; T26-K133 WeakPolarHBondContact CA-O 3.37Å; T26-K133 HydrophobicContact CG2-CB 4.46Å; T26-E135 HydrophobicContact CG2-CB 4.13Å; T26-E135 VanDerWaalsContact CG2-CD 3.47Å; T26-E135 HydrophobicContact CG2-CG 3.67Å
27F96.5Very high95.1Very high2 Ų258.5 Ų58.51%0.00931%0.313CS..EExtended strand (participates in β ladder)trans-105.4124.6168.4-66-74.2000109.4I25 F31 K35 V37 L61 V80 C82 V132 K133 Y134 E135I25-F27 HydrophobicContact CD1-CE2 3.75Å; I25-F27 HydrophobicContact CD1-CZ 4.05Å; I25-F27 HydrophobicContact CG1-CE2 4.32Å; F27-F31 HydrophobicContact CB-CE1 4.08Å; F27-K35 HydrophobicContact CB-CB 4.47Å; F27-K35 HydrophobicContact CD1-CB 3.55Å; F27-K35 HydrophobicContact CE1-CB 4.21Å; F27-K35 HydrophobicContact CG-CB 4.39Å; F27-V37 HydrophobicContact CD1-CG2 3.85Å; F27-V37 HydrophobicContact CE1-CB 4.07Å; F27-V37 HydrophobicContact CE1-CG2 3.6Å; F27-V37 HydrophobicContact CZ-CB 4.37Å; F27-V37 HydrophobicContact CZ-CG2 4.2Å; F27-L61 HydrophobicContact CE2-CD2 3.83Å; F27-L61 HydrophobicContact CZ-CD2 4.33Å; F27-V80 HydrophobicContact CE2-CG1 4.5Å; F27-V80 HydrophobicContact CZ-CB 4.26Å; F27-V80 HydrophobicContact CZ-CG1 3.91Å; F27-C82 HydrophobicContact CB-CB 4.45Å; F27-C82 HydrophobicContact CD1-CB 3.68Å; F27-C82 HydrophobicContact CD2-CB 3.82Å; F27-C82 HydrophobicContact CE1-CB 3.72Å; F27-C82 HydrophobicContact CE2-CB 3.88Å; F27-C82 HydrophobicContact CG-CB 3.71Å; F27-C82 HydrophobicContact CZ-CB 3.83Å; F27-V132 HydrophobicContact CD2-CG1 3.7Å; F27-V132 HydrophobicContact CE2-CG1 3.71Å; F27-K133 PolarHBondContact N-O 3.35Å; F27-Y134 HydrophobicContact CB-CD1 4.11Å; F27-Y134 HydrophobicContact CB-CE1 4.34Å; F27-Y134 HydrophobicContact CD2-CE1 4.07Å; F27-Y134 WeakPolarHBondContact O-CA 3.5Å; F27-E135 PolarHBondContact O-N 2.87Å
28T94.5Very high95.1Very high82 Ų8262 Ų6250%0.50333%0.332SS..EExtended strand (participates in β ladder)trans-97.3134.9177.3-47.10000110.5K35 E135T28-K35 WeakPolarHBondContact O-CE 3.34Å; T28-E135 CarbonylContact C-O 3.5Å; T28-E135 VanDerWaalsContact CA-O 3.3Å; T28-E135 WeakPolarHBondContact CA-O 3.05Å
29G90Very high95.1Very high19 Ų1957.1 Ų57.120%0.19631%0.311CS..SBendtrans-65176.4175.500000113.1E135G29-E135 PolarHBondContact N-O 3.43Å
30P92.1Very high95.1Very high78 Ų7858.6 Ų58.651%0.50632%0.319SS..  cis-66.8149.8-0.828.2-35.7000112.6K35P30-K35 WeakPolarHBondContact O-CE 3.3Å; P30-K35 PolarHBondContact O-NZ 3.45Å
31F93.3Very high95.2Very high1 Ų155.1 Ų55.10%0.00430%0.297CS..THydrogen-bonded Turntrans-97.426.5-176.4-56.7-70.4000113.6F27 Q33 P84 I85 P89 Y134 E135 G137F27-F31 HydrophobicContact CB-CE1 4.08Å; F31-Q33 VanDerWaalsContact C-N 3.33Å; F31-P84 CarbonylContact O-C 3.54Å; F31-P84 WeakPolarHBondContact O-CA 3.43Å; F31-P84 WeakPolarHBondContact O-CB 3.4Å; F31-I85 HydrophobicContact CB-CB 3.88Å; F31-I85 HydrophobicContact CB-CG1 4.29Å; F31-I85 HydrophobicContact CD1-CD1 4.31Å; F31-I85 HydrophobicContact CG-CB 4.48Å; F31-I85 HydrophobicContact CG-CD1 4.33Å; F31-I85 PolarHBondContact O-N 3.48Å; F31-P89 HydrophobicContact CD2-CG 4.48Å; F31-P89 HydrophobicContact CE2-CB 4.31Å; F31-P89 HydrophobicContact CE2-CG 3.96Å; F31-Y134 AromaticContact CE1-CD1 3.86Å; F31-Y134 HydrophobicContact CE1-CD1 3.86Å; F31-Y134 HydrophobicContact CZ-CD1 4.02Å; F31-Y134 HydrophobicContact CZ-CG 4.44Å; F31-E135 WeakPolarHBondContact CZ-O 3.49Å; F31-G137 WeakPolarHBondContact CD2-O 3.09Å
32D92.1Very high95.3Very high77 Ų7754.9 Ų54.941%0.41229%0.293SS..THydrogen-bonded Turntrans-77-20.4173.262.4-25.6000112.9P140D32-P140 HydrophobicContact CB-CG 4.4Å
33Q93.3Very high95.6Very high128 Ų12847.4 Ų47.460%0.59826%0.261SS*.SBendtrans-125163-178.9-62.4179.222.400112.2F31 K35F31-Q33 VanDerWaalsContact C-N 3.33Å; Q33-K35 PolarHBondContact O-N 3.14Å
34I96.2Very high95.9Very high88 Ų8848.5 Ų48.545%0.45126%0.263SS..  trans-63.9128.1175-62.9172000109.4V36 R81 C82 L83I34-V36 HydrophobicContact CG2-CG2 4.15Å; I34-R81 HydrophobicContact CG2-CB 4.07Å; I34-R81 HydrophobicContact CG2-CG 4.47Å; I34-C82 CarbonylContact C-O 3.43Å; I34-C82 VanDerWaalsContact CA-O 3.31Å; I34-C82 WeakPolarHBondContact CA-O 3.34Å; I34-L83 HydrophobicContact CD1-CD2 4.18Å; I34-L83 HydrophobicContact CG1-CD2 4.12Å
35K96Very high95.9Very high50 Ų5045.6 Ų45.622%0.21725%0.25CS..EExtended strand (participates in β ladder)trans-103.3146.8169.9-54.9-62.8178.21740110.3F27 T28 P30 Q33 R81 C82F27-K35 HydrophobicContact CB-CB 4.47Å; F27-K35 HydrophobicContact CD1-CB 3.55Å; F27-K35 HydrophobicContact CE1-CB 4.21Å; F27-K35 HydrophobicContact CG-CB 4.39Å; T28-K35 WeakPolarHBondContact O-CE 3.34Å; P30-K35 WeakPolarHBondContact O-CE 3.3Å; P30-K35 PolarHBondContact O-NZ 3.45Å; Q33-K35 PolarHBondContact O-N 3.14Å; K35-R81 CarbonylContact O-C 3.6Å; K35-R81 VanDerWaalsContact O-CA 3.27Å; K35-R81 WeakPolarHBondContact O-CA 3.49Å; K35-C82 HydrophobicContact CB-CB 4.29Å; K35-C82 PolarHBondContact N-O 3.13Å; K35-C82 PolarHBondContact O-N 2.8Å
36V97.2Very high95.8Very high73 Ų7354.7 Ų54.744%0.44229%0.29SS..EExtended strand (participates in β ladder)trans-131130.9-176.7-170.60000110I34 K79 V80 R81I34-V36 HydrophobicContact CG2-CG2 4.15Å; V36-K79 HydrophobicContact CG1-CB 4.01Å; V36-K79 HydrophobicContact CG1-CD 4.27Å; V36-V80 WeakPolarHBondContact CA-O 3.38Å; V36-R81 HydrophobicContact CG1-CG 4.48Å; V36-R81 HydrophobicContact CG2-CG 4.16Å
37V97.3Very high95.8Very high32 Ų3254.8 Ų54.819%0.19429%0.286CS..EExtended strand (participates in β ladder)trans-122.4135169.7173.10000107.8I25 F27 V80I25-V37 HydrophobicContact CB-CG1 4.29Å; I25-V37 HydrophobicContact CG2-CG1 3.95Å; F27-V37 HydrophobicContact CD1-CG2 3.85Å; F27-V37 HydrophobicContact CE1-CB 4.07Å; F27-V37 HydrophobicContact CE1-CG2 3.6Å; F27-V37 HydrophobicContact CZ-CB 4.37Å; F27-V37 HydrophobicContact CZ-CG2 4.2Å; V37-V80 PolarHBondContact N-O 3.17Å; V37-V80 PolarHBondContact O-N 2.89Å
38D97.7Very high95.6Very high80 Ų8057.6 Ų57.643%0.42830%0.297SS..EExtended strand (participates in β ladder)trans-90.5121.5176.1-75.6-10.2000109.5I77 K79D38-I77 HydrophobicContact CB-CG2 3.89Å; D38-K79 WeakPolarHBondContact OD1-CG 3.36Å
39L97.3Very high95.7Very high0 Ų053.7 Ų53.70%027%0.273CS..EExtended strand (participates in β ladder)trans-95.5121.7168.2-75178.8000109V19 T20 P21 I25 F53 I77 V78 V80 I130V19-L39 HydrophobicContact CG1-CD2 4.35Å; T20-L39 CarbonylContact O-C 3.52Å; T20-L39 WeakPolarHBondContact O-CA 3.45Å; P21-L39 HydrophobicContact CG-CD2 4Å; I25-L39 HydrophobicContact CG2-CD2 3.64Å; I25-L39 HydrophobicContact CG2-CG 4.37Å; L39-F53 HydrophobicContact CD1-CE1 3.71Å; L39-F53 HydrophobicContact CD1-CZ 3.92Å; L39-I77 CarbonylContact O-C 3.53Å; L39-I77 WeakPolarHBondContact O-CA 3.48Å; L39-V78 HydrophobicContact CB-CB 4.48Å; L39-V78 PolarHBondContact N-O 2.93Å; L39-V78 PolarHBondContact O-N 3.03Å; L39-V80 HydrophobicContact CB-CG2 4.38Å; L39-V80 HydrophobicContact CD1-CG2 3.38Å; L39-V80 HydrophobicContact CG-CG2 3.61Å; L39-I130 HydrophobicContact CD1-CD1 4Å; L39-I130 HydrophobicContact CD2-CD1 4.36Å
40N98.1Very high95.9Very high44 Ų4452.8 Ų52.824%0.23526%0.264CS..EExtended strand (participates in β ladder)trans-89.3128.1169.6-165.913.8000110.7V19 T20 E75V19-N40 CarbonylContact C-O 3.57Å; V19-N40 WeakPolarHBondContact CA-O 3.49Å; T20-N40 PolarHBondContact N-O 2.94Å; T20-N40 PolarHBondContact O-N 3.04Å; N40-E75 PolarHBondContact ND2-OE2 2.72Å
41L98.2Very high96.1Very high0 Ų049.1 Ų49.10%024%0.24CC..EExtended strand (participates in β ladder)trans-113.5103.8176.1-53.9-174.9000109.1M17 V19 Y51 F53 E75 R76 V78 L97M17-L41 HydrophobicContact SD-CB 3.82Å; V19-L41 HydrophobicContact CB-CD2 4.36Å; V19-L41 HydrophobicContact CG1-CD2 3.91Å; V19-L41 HydrophobicContact CG2-CD2 3.96Å; L41-Y51 HydrophobicContact CD1-CD1 4.2Å; L41-Y51 HydrophobicContact CD1-CD2 3.9Å; L41-Y51 HydrophobicContact CD1-CE1 4.22Å; L41-Y51 HydrophobicContact CD1-CE2 3.94Å; L41-Y51 HydrophobicContact CD1-CG 4.03Å; L41-F53 HydrophobicContact CD1-CE2 4.17Å; L41-F53 HydrophobicContact CD1-CZ 4.2Å; L41-F53 HydrophobicContact CD2-CZ 4.44Å; L41-E75 CarbonylContact O-C 3.54Å; L41-E75 VanDerWaalsContact O-CA 3.23Å; L41-E75 WeakPolarHBondContact O-CA 3.41Å; L41-R76 HydrophobicContact CB-CB 4.43Å; L41-R76 WeakPolarHBondContact CB-O 3.31Å; L41-R76 PolarHBondContact N-O 2.82Å; L41-R76 PolarHBondContact O-N 2.69Å; L41-V78 HydrophobicContact CD1-CG2 3.75Å; L41-V78 HydrophobicContact CG-CG2 4.26Å; L41-L97 HydrophobicContact CD1-CD1 4.37Å; L41-L97 HydrophobicContact CD1-CD2 4.35Å; L41-L97 HydrophobicContact CD2-CD2 3.67Å
42L98.4Very high96.2Very high45 Ų4552.5 Ų52.524%0.23625%0.254CS..EExtended strand (participates in β ladder)trans-100.6126.1176.2173.366.9000110.1K18 E44 E75K18-L42 HydrophobicContact CB-CB 4.22Å; K18-L42 HydrophobicContact CD-CD2 4.28Å; K18-L42 PolarHBondContact N-O 3.39Å; K18-L42 PolarHBondContact O-N 2.91Å; L42-E44 HydrophobicContact CD2-CG 3.86Å; L42-E44 HydrophobicContact CG-CG 3.92Å; L42-E75 HydrophobicContact CB-CB 4.47Å; L42-E75 HydrophobicContact CD1-CB 4.14Å
43N98.3Very high96.4Very high0 Ų049.5 Ų49.50%024%0.238CC..EExtended strand (participates in β ladder)trans-90.1104.8173.7177.75.7000110.3S45 F47 L49 V70 R71 G73 K74N43-S45 VanDerWaalsContact C-N 3.33Å; N43-S45 WeakPolarHBondContact OD1-CA 3.46Å; N43-S45 VanDerWaalsContact OD1-CB 3.31Å; N43-S45 WeakPolarHBondContact OD1-CB 3.26Å; N43-S45 PolarHBondContact OD1-N 3.05Å; N43-S45 PolarHBondContact OD1-OG 3.27Å; N43-F47 PolarHBondContact ND2-O 3.32Å; N43-L49 HydrophobicContact CB-CD1 4.11Å; N43-L49 HydrophobicContact CB-CG 4.49Å; N43-L49 VanDerWaalsContact OD1-CD1 3.24Å; N43-L49 WeakPolarHBondContact OD1-CD1 3.37Å; N43-V70 HydrophobicContact CB-CB 4.02Å; N43-V70 HydrophobicContact CB-CG1 3.6Å; N43-V70 PolarHBondContact ND2-O 3.33Å; N43-R71 WeakPolarHBondContact CB-O 3.16Å; N43-R71 VanDerWaalsContact ND2-C 3.27Å; N43-R71 PolarHBondContact ND2-O 3.1Å; N43-G73 WeakPolarHBondContact O-CA 3.48Å; N43-G73 PolarHBondContact O-N 2.86Å; N43-K74 PolarHBondContact N-O 2.72Å
44E98.2Very high96.5Very high108 Ų10849 Ų4951%0.50523%0.23SC..  trans-91.12.9177.6-61.3-177.2149.800112.5Q16 K18 L42Q16-E44 PolarHBondContact O-N 2.61Å; K18-E44 HydrophobicContact CB-CG 4.4Å; K18-E44 VanDerWaalsContact CD-OE1 3.28Å; K18-E44 WeakPolarHBondContact CD-OE1 3.43Å; K18-E44 IonicContact NZ-OE1 3.02Å; L42-E44 HydrophobicContact CD2-CG 3.86Å; L42-E44 HydrophobicContact CG-CG 3.92Å
45S96.7Very high96.4Very high6 Ų646.2 Ų46.24%0.04222%0.219CC..SBendtrans-86.5167.9176.785.40000112.8Q16 N43 F47 P72Q16-S45 VanDerWaalsContact OE1-CA 3.28Å; N43-S45 VanDerWaalsContact C-N 3.33Å; N43-S45 WeakPolarHBondContact OD1-CA 3.46Å; N43-S45 VanDerWaalsContact OD1-CB 3.31Å; N43-S45 WeakPolarHBondContact OD1-CB 3.26Å; N43-S45 PolarHBondContact OD1-N 3.05Å; N43-S45 PolarHBondContact OD1-OG 3.27Å; S45-F47 VanDerWaalsContact C-N 3.31Å; S45-F47 PolarHBondContact OG-N 3.37Å; S45-F47 VanDerWaalsContact OG-N 3.08Å; S45-F47 PolarHBondContact OG-O 3.14Å; S45-P72 WeakPolarHBondContact O-CB 3.24Å
46K94.5Very high96.4Very high194 Ų19448.3 Ų48.384%0.84324%0.236SC*.SBendtrans-83.5-7.3169.7-63.2179.5-178.3177.40113.2P72K46-P72 VanDerWaalsContact O-CG 3.26Å; K46-P72 WeakPolarHBondContact O-CG 3.33Å
47F94.7Very high96.2Very high44 Ų4447.8 Ų47.819%0.19323%0.226CC..SBendtrans-103.4158.4-176.6-65.1-87.7000111.2L6 A9 L10 A13 N43 S45 A101 L102L6-F47 HydrophobicContact CD1-CE1 4.39Å; A9-F47 HydrophobicContact CB-CE2 4.33Å; A9-F47 HydrophobicContact CB-CZ 4.26Å; L10-F47 HydrophobicContact CD2-CD1 3.57Å; L10-F47 HydrophobicContact CD2-CE1 3.78Å; L10-F47 HydrophobicContact CD2-CG 3.99Å; L10-F47 HydrophobicContact CD2-CZ 4.36Å; A13-F47 HydrophobicContact CB-CB 4.13Å; A13-F47 HydrophobicContact CB-CD2 3.44Å; A13-F47 VanDerWaalsContact CB-CD2 3.44Å; A13-F47 HydrophobicContact CB-CE2 4.2Å; A13-F47 HydrophobicContact CB-CG 4.11Å; N43-F47 PolarHBondContact ND2-O 3.32Å; S45-F47 VanDerWaalsContact C-N 3.31Å; S45-F47 PolarHBondContact OG-N 3.37Å; S45-F47 VanDerWaalsContact OG-N 3.08Å; S45-F47 PolarHBondContact OG-O 3.14Å; F47-A101 HydrophobicContact CB-CB 4.26Å; F47-L102 WeakPolarHBondContact CD1-O 3.28Å
48R93.9Very high96.1Very high61 Ų6150 Ų5023%0.2324%0.241CC..EExtended strand (participates in β ladder)trans-72.5134.8167.8-72.7-179.8-70.9149.62.8108.5L102 Q106R48-L102 HydrophobicContact CB-CB 4.41Å; R48-L102 PolarHBondContact O-N 2.8Å; R48-Q106 PolarHBondContact NH2-O 2.82Å
49L95.3Very high95.9Very high0 Ų053.3 Ų53.30%025%0.254CS..EExtended strand (participates in β ladder)trans-109.2121.5177.6-60.1-175.1000109.6M17 N43 M69 V70 V99 V100 A101M17-L49 HydrophobicContact CB-CD1 4.05Å; M17-L49 HydrophobicContact CE-CB 3.73Å; M17-L49 HydrophobicContact CE-CD1 3.73Å; M17-L49 HydrophobicContact CE-CG 4.39Å; M17-L49 HydrophobicContact SD-CD1 4.37Å; N43-L49 HydrophobicContact CB-CD1 4.11Å; N43-L49 HydrophobicContact CB-CG 4.49Å; N43-L49 VanDerWaalsContact OD1-CD1 3.24Å; N43-L49 WeakPolarHBondContact OD1-CD1 3.37Å; L49-M69 CarbonylContact O-C 3.59Å; L49-M69 WeakPolarHBondContact O-CA 3.39Å; L49-V70 PolarHBondContact N-O 3.5Å; L49-V70 PolarHBondContact O-N 3.06Å; L49-V99 HydrophobicContact CB-CG1 4.03Å; L49-V99 HydrophobicContact CD1-CG1 4.1Å; L49-V99 HydrophobicContact CD2-CG1 4.31Å; L49-V99 HydrophobicContact CG-CG1 4.37Å; L49-V100 CarbonylContact C-O 3.47Å; L49-V100 WeakPolarHBondContact CA-O 3.5Å; L49-A101 HydrophobicContact CD2-CB 3.6Å
50A95.1Very high95.8Very high0 Ų053.7 Ų53.70%026%0.257CS..EExtended strand (participates in β ladder)trans-86.6143.816400000109.6G68 M69 V99 V100 L102 F114 W115A50-G68 WeakPolarHBondContact CA-O 3.23Å; A50-M69 HydrophobicContact CB-CG 4.1Å; A50-V99 WeakPolarHBondContact O-CA 3.41Å; A50-V100 PolarHBondContact N-O 3.47Å; A50-V100 PolarHBondContact O-N 3.01Å; A50-L102 HydrophobicContact CB-CD1 3.6Å; A50-F114 HydrophobicContact CB-CD1 3.44Å; A50-F114 VanDerWaalsContact CB-CD1 3.44Å; A50-F114 HydrophobicContact CB-CE1 3.42Å; A50-F114 VanDerWaalsContact CB-CE1 3.42Å; A50-F114 HydrophobicContact CB-CG 4.13Å; A50-F114 HydrophobicContact CB-CZ 4.07Å; A50-W115 HydrophobicContact CB-CZ2 4Å
51Y95.9Very high95.7Very high1 Ų151.7 Ų51.70%0.00425%0.247CC..EExtended strand (participates in β ladder)trans-135.5153.2178.172.3-91.1000112.4L41 F53 P65 Y67 G68 V70 R76 V78 L97 V98 W115L41-Y51 HydrophobicContact CD1-CD1 4.2Å; L41-Y51 HydrophobicContact CD1-CD2 3.9Å; L41-Y51 HydrophobicContact CD1-CE1 4.22Å; L41-Y51 HydrophobicContact CD1-CE2 3.94Å; L41-Y51 HydrophobicContact CD1-CG 4.03Å; Y51-F53 HydrophobicContact CD2-CD2 4.12Å; Y51-F53 AromaticContact CD2-CE2 3.85Å; Y51-F53 HydrophobicContact CD2-CE2 3.85Å; Y51-F53 HydrophobicContact CE2-CD2 4.23Å; Y51-F53 AromaticContact CE2-CE2 3.87Å; Y51-F53 HydrophobicContact CE2-CE2 3.87Å; Y51-P65 WeakPolarHBondContact OH-CG 3.4Å; Y51-Y67 CarbonylContact O-C 3.55Å; Y51-Y67 WeakPolarHBondContact O-CA 3.17Å; Y51-Y67 WeakPolarHBondContact O-CB 3.26Å; Y51-G68 WeakPolarHBondContact CD1-O 3.03Å; Y51-G68 VanDerWaalsContact CE1-CA 3.43Å; Y51-G68 PolarHBondContact N-O 2.97Å; Y51-G68 PolarHBondContact O-N 3.49Å; Y51-V70 HydrophobicContact CD1-CG2 3.84Å; Y51-V70 HydrophobicContact CE1-CG2 3.77Å; Y51-R76 HydrophobicContact CE1-CG 4.4Å; Y51-V78 HydrophobicContact CE2-CG2 4.01Å; Y51-L97 HydrophobicContact CD2-CD1 3.84Å; Y51-L97 HydrophobicContact CG-CD1 4.13Å; Y51-V98 CarbonylContact C-O 3.48Å; Y51-V98 VanDerWaalsContact CA-O 3.23Å; Y51-V98 WeakPolarHBondContact CA-O 3.2Å; Y51-W115 VanDerWaalsContact C-CZ2 3.43Å; Y51-W115 PolarHBondContact O-NE1 2.74Å
52K95.5Very high95.7Very high71 Ų7155.6 Ų55.631%0.30926%0.264SS..EExtended strand (participates in β ladder)trans-146.5138173.1177.8177.9177179.10110.2V98 W115K52-V98 PolarHBondContact N-O 2.95Å; K52-V98 PolarHBondContact O-N 2.85Å; K52-W115 HydrophobicContact CB-CD2 4.09Å; K52-W115 HydrophobicContact CB-CE3 4.33Å; K52-W115 HydrophobicContact CB-CH2 4Å; K52-W115 HydrophobicContact CB-CZ2 3.76Å; K52-W115 HydrophobicContact CB-CZ3 4.25Å; K52-W115 HydrophobicContact CD-CD2 4.33Å; K52-W115 HydrophobicContact CD-CE3 4.12Å; K52-W115 HydrophobicContact CD-CZ3 4.42Å
53F96Very high95.6Very high15 Ų1555 Ų557%0.06626%0.259CS..EExtended strand (participates in β ladder)trans-91.5143.1173.4-73.7-89.5000111.9L39 L41 Y51 F63 G66 V78 T96 L97L39-F53 HydrophobicContact CD1-CE1 3.71Å; L39-F53 HydrophobicContact CD1-CZ 3.92Å; L41-F53 HydrophobicContact CD1-CE2 4.17Å; L41-F53 HydrophobicContact CD1-CZ 4.2Å; L41-F53 HydrophobicContact CD2-CZ 4.44Å; Y51-F53 HydrophobicContact CD2-CD2 4.12Å; Y51-F53 AromaticContact CD2-CE2 3.85Å; Y51-F53 HydrophobicContact CD2-CE2 3.85Å; Y51-F53 HydrophobicContact CE2-CD2 4.23Å; Y51-F53 AromaticContact CE2-CE2 3.87Å; Y51-F53 HydrophobicContact CE2-CE2 3.87Å; F53-F63 HydrophobicContact CB-CB 4.26Å; F53-F63 HydrophobicContact CB-CD1 3.81Å; F53-F63 HydrophobicContact CB-CD2 3.82Å; F53-F63 HydrophobicContact CB-CE1 4.12Å; F53-F63 HydrophobicContact CB-CE2 4.14Å; F53-F63 HydrophobicContact CB-CG 3.67Å; F53-F63 HydrophobicContact CB-CZ 4.3Å; F53-F63 AromaticContact CD1-CD1 3.52Å; F53-F63 HydrophobicContact CD1-CD1 3.52Å; F53-F63 AromaticContact CD1-CE1 3.49Å; F53-F63 HydrophobicContact CD1-CE1 3.49Å; F53-F63 VanDerWaalsContact CD1-CE1 3.49Å; F53-F63 HydrophobicContact CD1-CG 4.28Å; F53-F63 HydrophobicContact CD1-CZ 4.23Å; F53-F63 HydrophobicContact CD2-CB 4.3Å; F53-F63 AromaticContact CD2-CD1 4Å; F53-F63 HydrophobicContact CD2-CD1 4Å; F53-F63 HydrophobicContact CD2-CG 4.25Å; F53-F63 HydrophobicContact CE1-CD1 4.03Å; F53-F63 HydrophobicContact CE1-CE1 4.04Å; F53-F63 HydrophobicContact CE2-CD1 4.47Å; F53-F63 HydrophobicContact CG-CB 4.34Å; F53-F63 AromaticContact CG-CD1 3.49Å; F53-F63 HydrophobicContact CG-CD1 3.49Å; F53-F63 VanDerWaalsContact CG-CD1 3.49Å; F53-F63 HydrophobicContact CG-CD2 4.42Å; F53-F63 AromaticContact CG-CE1 3.89Å; F53-F63 HydrophobicContact CG-CE1 3.89Å; F53-F63 AromaticContact CG-CG 3.82Å; F53-F63 HydrophobicContact CG-CG 3.82Å; F53-F63 HydrophobicContact CZ-CD1 4.46Å; F53-G66 PolarHBondContact N-O 2.89Å; F53-V78 HydrophobicContact CD2-CG1 4.32Å; F53-V78 HydrophobicContact CE2-CB 4.15Å; F53-V78 HydrophobicContact CE2-CG1 3.7Å; F53-V78 HydrophobicContact CE2-CG2 4.01Å; F53-V78 HydrophobicContact CZ-CB 4.37Å; F53-V78 HydrophobicContact CZ-CG1 4.13Å; F53-T96 WeakPolarHBondContact CA-O 3.31Å; F53-L97 HydrophobicContact CD1-CB 4.32Å; F53-L97 HydrophobicContact CD1-CD1 4.2Å; F53-L97 HydrophobicContact CD2-CD1 3.98Å; F53-L97 HydrophobicContact CE1-CB 4.02Å; F53-L97 HydrophobicContact CE1-CD1 3.89Å; F53-L97 HydrophobicContact CE1-CG 4.46Å; F53-L97 HydrophobicContact CE2-CD1 3.62Å; F53-L97 HydrophobicContact CG-CD1 4.26Å; F53-L97 HydrophobicContact CZ-CB 4.48Å; F53-L97 HydrophobicContact CZ-CD1 3.6Å; F53-L97 HydrophobicContact CZ-CG 4.44Å
54R95.1Very high95.5Very high116 Ų11663.2 Ų63.244%0.43829%0.29SS..EExtended strand (participates in β ladder)trans-126.3154.3163.3-65.9-176.7177.2135.93.5108.4C95 T96 E124R54-C95 CarbonylContact O-C 3.52Å; R54-C95 VanDerWaalsContact O-CA 3.28Å; R54-C95 WeakPolarHBondContact O-CA 3.35Å; R54-T96 PolarHBondContact N-O 2.86Å; R54-T96 PolarHBondContact O-N 2.78Å; R54-E124 IonicContact CZ-OE1 3.42Å; R54-E124 IonicContact NH1-OE1 3.97Å; R54-E124 PolarHBondContact NH1-OE1 2.92Å; R54-E124 IonicContact NH1-OE2 2.72Å; R54-E124 PolarHBondContact NH1-OE2 2.79Å; R54-E124 IonicContact NH2-OE1 3.82Å; R54-E124 PolarHBondContact NH2-OE1 2.82Å
55C95.9Very high95.4Very high31 Ų3159.8 Ų59.821%0.20928%0.278CS..EExtended strand (participates in β ladder)trans-149.3160.3174.460.20000111.1R57 P58 L61 F63 R94 C95C55-R57 VanDerWaalsContact C-N 3.27Å; C55-R57 PolarHBondContact O-N 3.08Å; C55-R57 VanDerWaalsContact SG-C 3.52Å; C55-P58 VanDerWaalsContact SG-CA 3.53Å; C55-L61 HydrophobicContact CB-CB 4.49Å; C55-L61 HydrophobicContact CB-CD1 4.21Å; C55-F63 HydrophobicContact CB-CE2 3.96Å; C55-F63 HydrophobicContact CB-CZ 4.12Å; C55-R94 VanDerWaalsContact CA-O 3.25Å; C55-R94 WeakPolarHBondContact CA-O 3.41Å; C55-R94 WeakPolarHBondContact CB-O 3.36Å; C55-C95 HydrophobicContact CB-CB 4.02Å
56T94.9Very high95.3Very high94 Ų9460.6 Ų60.658%0.57729%0.286SS*.SBendtrans-69-24.7175.934.80000113P58 D93 R94T56-P58 WeakPolarHBondContact O-CD 3.16Å; T56-D93 PolarHBondContact OG1-OD1 2.75Å; T56-R94 PolarHBondContact N-O 2.96Å; T56-R94 PolarHBondContact OG1-N 3.42Å; T56-R94 PolarHBondContact OG1-O 2.87Å; T56-R94 VanDerWaalsContact OG1-O 3.11Å
57R94.1Very high95.2Very high62 Ų6255.7 Ų55.723%0.23426%0.263CS..  trans-124.174.3178.3-73.5179.358-122.67.6112.5C55 E59 G60 L61 P90 D93 Y134C55-R57 VanDerWaalsContact C-N 3.27Å; C55-R57 PolarHBondContact O-N 3.08Å; C55-R57 VanDerWaalsContact SG-C 3.52Å; R57-E59 PolarHBondContact O-N 3.47Å; R57-E59 VanDerWaalsContact O-N 3.16Å; R57-G60 PolarHBondContact O-N 2.93Å; R57-L61 PolarHBondContact O-N 2.92Å; R57-P90 VanDerWaalsContact CZ-CG 3.45Å; R57-D93 WeakPolarHBondContact CD-OD2 3.16Å; R57-D93 IonicContact CZ-OD2 2.86Å; R57-D93 IonicContact NH1-OD2 3.19Å; R57-D93 PolarHBondContact NH1-OD2 2.69Å; R57-Y134 PolarHBondContact NH1-OH 2.95Å
58P94.5Very high95.2Very high79 Ų7954.1 Ų54.151%0.51326%0.259SS..THydrogen-bonded Turntrans-61.4-23.2179.826.2-34.8000113.5C55 T56 K62C55-P58 VanDerWaalsContact SG-CA 3.53Å; T56-P58 WeakPolarHBondContact O-CD 3.16Å; P58-K62 WeakPolarHBondContact O-CE 3.46Å; P58-K62 PolarHBondContact O-NZ 3.48Å
59E93.6Very high95.3Very high149 Ų14953.4 Ų53.470%0.69626%0.259SS*.THydrogen-bonded Turntrans-76.9-35.6173.7-61.3-53.5157.300113.3R57 K62 L83R57-E59 PolarHBondContact O-N 3.47Å; R57-E59 VanDerWaalsContact O-N 3.16Å; E59-K62 WeakPolarHBondContact O-CE 3.23Å; E59-K62 IonicContact OE2-NZ 3.4Å; E59-K62 PolarHBondContact OE2-NZ 2.94Å; E59-L83 WeakPolarHBondContact O-CD1 3.44Å
60G95Very high95.3Very high7 Ų753.6 Ų53.67%0.07226%0.26CS..THydrogen-bonded Turntrans-92.7-25.6-177.800000114.9R57 L83R57-G60 PolarHBondContact O-N 2.93Å; G60-L83 PolarHBondContact O-N 3.04Å
61L96.7Very high95.3Very high3 Ų362.3 Ų62.32%0.01629%0.293CS..EExtended strand (participates in β ladder)trans-114.9120.7-177.9-67173.7000110.6F27 C55 R57 F63 R81 C82 V132F27-L61 HydrophobicContact CE2-CD2 3.83Å; F27-L61 HydrophobicContact CZ-CD2 4.33Å; C55-L61 HydrophobicContact CB-CB 4.49Å; C55-L61 HydrophobicContact CB-CD1 4.21Å; R57-L61 PolarHBondContact O-N 2.92Å; L61-F63 HydrophobicContact CB-CE2 4.31Å; L61-F63 HydrophobicContact CB-CZ 4.48Å; L61-R81 WeakPolarHBondContact CA-O 3.37Å; L61-C82 HydrophobicContact CD2-CB 4.2Å; L61-V132 HydrophobicContact CD1-CG1 4.37Å; L61-V132 HydrophobicContact CD1-CG2 3.99Å; L61-V132 HydrophobicContact CD2-CG1 4.41Å
62K97.4Very high95.3Very high81 Ų8165 Ų6535%0.35231%0.311SS..EExtended strand (participates in β ladder)trans-118.8135.7178.8-53.9-63.2-176.9-175.10110.5P58 E59 R81 L83P58-K62 WeakPolarHBondContact O-CE 3.46Å; P58-K62 PolarHBondContact O-NZ 3.48Å; E59-K62 WeakPolarHBondContact O-CE 3.23Å; E59-K62 IonicContact OE2-NZ 3.4Å; E59-K62 PolarHBondContact OE2-NZ 2.94Å; K62-R81 HydrophobicContact CB-CB 4.37Å; K62-R81 PolarHBondContact N-O 2.92Å; K62-R81 PolarHBondContact O-N 2.81Å; K62-L83 HydrophobicContact CG-CD1 4.24Å; K62-L83 HydrophobicContact CG-CD2 4.25Å; K62-L83 HydrophobicContact CG-CG 4.22Å
63F97.1Very high95.4Very high33 Ų3364.4 Ų64.415%0.14532%0.324CS..EExtended strand (participates in β ladder)trans-110.4130.7-178.7-58.8-92.5000110.1F53 C55 L61 P65 G66 V78 K79 V80 C95F53-F63 HydrophobicContact CB-CB 4.26Å; F53-F63 HydrophobicContact CB-CD1 3.81Å; F53-F63 HydrophobicContact CB-CD2 3.82Å; F53-F63 HydrophobicContact CB-CE1 4.12Å; F53-F63 HydrophobicContact CB-CE2 4.14Å; F53-F63 HydrophobicContact CB-CG 3.67Å; F53-F63 HydrophobicContact CB-CZ 4.3Å; F53-F63 AromaticContact CD1-CD1 3.52Å; F53-F63 HydrophobicContact CD1-CD1 3.52Å; F53-F63 AromaticContact CD1-CE1 3.49Å; F53-F63 HydrophobicContact CD1-CE1 3.49Å; F53-F63 VanDerWaalsContact CD1-CE1 3.49Å; F53-F63 HydrophobicContact CD1-CG 4.28Å; F53-F63 HydrophobicContact CD1-CZ 4.23Å; F53-F63 HydrophobicContact CD2-CB 4.3Å; F53-F63 AromaticContact CD2-CD1 4Å; F53-F63 HydrophobicContact CD2-CD1 4Å; F53-F63 HydrophobicContact CD2-CG 4.25Å; F53-F63 HydrophobicContact CE1-CD1 4.03Å; F53-F63 HydrophobicContact CE1-CE1 4.04Å; F53-F63 HydrophobicContact CE2-CD1 4.47Å; F53-F63 HydrophobicContact CG-CB 4.34Å; F53-F63 AromaticContact CG-CD1 3.49Å; F53-F63 HydrophobicContact CG-CD1 3.49Å; F53-F63 VanDerWaalsContact CG-CD1 3.49Å; F53-F63 HydrophobicContact CG-CD2 4.42Å; F53-F63 AromaticContact CG-CE1 3.89Å; F53-F63 HydrophobicContact CG-CE1 3.89Å; F53-F63 AromaticContact CG-CG 3.82Å; F53-F63 HydrophobicContact CG-CG 3.82Å; F53-F63 HydrophobicContact CZ-CD1 4.46Å; C55-F63 HydrophobicContact CB-CE2 3.96Å; C55-F63 HydrophobicContact CB-CZ 4.12Å; L61-F63 HydrophobicContact CB-CE2 4.31Å; L61-F63 HydrophobicContact CB-CZ 4.48Å; F63-P65 CarbonylContact O-C 3.6Å; F63-G66 PolarHBondContact O-N 3.39Å; F63-G66 VanDerWaalsContact O-N 3.09Å; F63-V78 HydrophobicContact CB-CG1 4.32Å; F63-K79 WeakPolarHBondContact CA-O 3.47Å; F63-V80 HydrophobicContact CD1-CB 4.45Å; F63-V80 HydrophobicContact CD1-CG1 4.09Å; F63-V80 HydrophobicContact CD1-CG2 3.89Å; F63-V80 HydrophobicContact CE1-CB 4.36Å; F63-V80 HydrophobicContact CE1-CG1 3.65Å; F63-V80 HydrophobicContact CE1-CG2 3.87Å; F63-V80 HydrophobicContact CZ-CG1 4.15Å; F63-C95 HydrophobicContact CE1-CB 3.94Å; F63-C95 HydrophobicContact CZ-CB 3.47Å; F63-C95 VanDerWaalsContact CZ-CB 3.47Å
64R96.3Very high95.5Very high172 Ų17269.9 Ų69.965%0.64935%0.348SS*.EExtended strand (participates in β ladder)trans-132110.8177.2-167.2173.9178.7120.1-4.6111.8K79R64-K79 PolarHBondContact N-O 3.09Å; R64-K79 PolarHBondContact O-N 2.99Å
65P95.9Very high95.6Very high37 Ų3770 Ų7024%0.2435%0.354CS..THydrogen-bonded Turncis-72141.8-12.332.3-38.8000112.7Y51 F63 Y67 V78Y51-P65 WeakPolarHBondContact OH-CG 3.4Å; F63-P65 CarbonylContact O-C 3.6Å; P65-Y67 VanDerWaalsContact C-N 3.31Å; P65-Y67 PolarHBondContact O-N 3.25Å; P65-V78 HydrophobicContact CG-CG2 4.39Å; P65-V78 WeakPolarHBondContact O-CG1 3.39Å
66G94.1Very high95.7Very high22 Ų2274.2 Ų74.223%0.22737%0.365CS..SBendtrans-78-12.2178.400000115.4F53 F63F53-G66 PolarHBondContact N-O 2.89Å; F63-G66 PolarHBondContact O-N 3.39Å; F63-G66 VanDerWaalsContact O-N 3.09Å
67Y92.9Very high95.8Very high92 Ų9274 Ų7436%0.36136%0.36SS..EExtended strand (participates in β ladder)trans-153.2154.7171.849.5-94.2000109.1Y51 P65 T112Y51-Y67 CarbonylContact O-C 3.55Å; Y51-Y67 WeakPolarHBondContact O-CA 3.17Å; Y51-Y67 WeakPolarHBondContact O-CB 3.26Å; P65-Y67 VanDerWaalsContact C-N 3.31Å; P65-Y67 PolarHBondContact O-N 3.25Å; Y67-T112 HydrophobicContact CE2-CG2 3.72Å; Y67-T112 WeakPolarHBondContact CE2-OG1 3.42Å
68G94.8Very high96Very high10 Ų1071 Ų7110%0.10335%0.349CS..EExtended strand (participates in β ladder)trans-178.2-165.9-176.300000112.9A50 Y51A50-G68 WeakPolarHBondContact CA-O 3.23Å; Y51-G68 WeakPolarHBondContact CD1-O 3.03Å; Y51-G68 VanDerWaalsContact CE1-CA 3.43Å; Y51-G68 PolarHBondContact N-O 2.97Å; Y51-G68 PolarHBondContact O-N 3.49Å
69M94.3Very high96.2Very high47 Ų4771.8 Ų71.823%0.23234%0.344CS..EExtended strand (participates in β ladder)trans-134.9147.2172.4-64.8-178.4-51.600109.8L49 A50 L102 P108 A109L49-M69 CarbonylContact O-C 3.59Å; L49-M69 WeakPolarHBondContact O-CA 3.39Å; A50-M69 HydrophobicContact CB-CG 4.1Å; M69-L102 HydrophobicContact SD-CD2 4.34Å; M69-P108 WeakPolarHBondContact CE-O 3.27Å; M69-A109 VanDerWaalsContact CE-C 3.42Å; M69-A109 VanDerWaalsContact CE-O 3.28Å; M69-A109 WeakPolarHBondContact CE-O 3.34Å
70V95.8Very high96.4Very high4 Ų464.7 Ų64.72%0.02431%0.31CS..EExtended strand (participates in β ladder)trans-123.8124176.5-167.60000108M17 N43 L49 Y51 K74 R76M17-V70 HydrophobicContact CE-CB 4.34Å; M17-V70 HydrophobicContact CE-CG2 4.03Å; N43-V70 HydrophobicContact CB-CB 4.02Å; N43-V70 HydrophobicContact CB-CG1 3.6Å; N43-V70 PolarHBondContact ND2-O 3.33Å; L49-V70 PolarHBondContact N-O 3.5Å; L49-V70 PolarHBondContact O-N 3.06Å; Y51-V70 HydrophobicContact CD1-CG2 3.84Å; Y51-V70 HydrophobicContact CE1-CG2 3.77Å; V70-K74 HydrophobicContact CG1-CB 4.41Å; V70-K74 WeakPolarHBondContact CG1-O 3.23Å; V70-R76 HydrophobicContact CG2-CB 3.82Å
71R95.2Very high96.5Very high183 Ų18368.6 Ų68.669%0.69132%0.323SS*.  trans-74.3156.8177.9-71.6-179.7180156.9-1.3110.7N43 G73 K74N43-R71 WeakPolarHBondContact CB-O 3.16Å; N43-R71 VanDerWaalsContact ND2-C 3.27Å; N43-R71 PolarHBondContact ND2-O 3.1Å; R71-G73 PolarHBondContact O-N 2.93Å; R71-K74 HydrophobicContact CB-CB 4.26Å; R71-K74 HydrophobicContact CB-CG 3.9Å; R71-K74 WeakPolarHBondContact O-CB 3.46Å; R71-K74 PolarHBondContact O-N 3.3Å
72P96.6Very high96.5Very high57 Ų5768.5 Ų68.537%0.3732%0.323SS..THydrogen-bonded Turntrans-48.7131.9173.5-29.335.5000112.2S45 K46 K74S45-P72 WeakPolarHBondContact O-CB 3.24Å; K46-P72 VanDerWaalsContact O-CG 3.26Å; K46-P72 WeakPolarHBondContact O-CG 3.33Å; P72-K74 PolarHBondContact O-N 3.4Å; P72-K74 VanDerWaalsContact O-N 3.14Å
73G97.7Very high96.4Very high58 Ų5867 Ų6760%0.59832%0.318SS*.THydrogen-bonded Turntrans64.813.6178.700000114.9N43 R71N43-G73 WeakPolarHBondContact O-CA 3.48Å; N43-G73 PolarHBondContact O-N 2.86Å; R71-G73 PolarHBondContact O-N 2.93Å
74K98Very high96.3Very high130 Ų13068.7 Ų68.757%0.56533%0.333SS*.  trans-108.5155.9175.3-60.5-57.1-179.7-171.80110.6N43 V70 R71 P72N43-K74 PolarHBondContact N-O 2.72Å; V70-K74 HydrophobicContact CG1-CB 4.41Å; V70-K74 WeakPolarHBondContact CG1-O 3.23Å; R71-K74 HydrophobicContact CB-CB 4.26Å; R71-K74 HydrophobicContact CB-CG 3.9Å; R71-K74 WeakPolarHBondContact O-CB 3.46Å; R71-K74 PolarHBondContact O-N 3.3Å; P72-K74 PolarHBondContact O-N 3.4Å; P72-K74 VanDerWaalsContact O-N 3.14Å
75E97.3Very high96.2Very high120 Ų12061 Ų6156%0.56130%0.304SS*.EExtended strand (participates in β ladder)trans-112.3160.5174.967.9178.2-176.700111.8N40 L41 L42N40-E75 PolarHBondContact ND2-OE2 2.72Å; L41-E75 CarbonylContact O-C 3.54Å; L41-E75 VanDerWaalsContact O-CA 3.23Å; L41-E75 WeakPolarHBondContact O-CA 3.41Å; L42-E75 HydrophobicContact CB-CB 4.47Å; L42-E75 HydrophobicContact CD1-CB 4.14Å
76R97.3Very high96Very high119 Ų11963.5 Ų63.545%0.44932%0.319SS..EExtended strand (participates in β ladder)trans-144.3120.5177.1-176.267.6-179.5-164.82.8110L41 Y51 V70 V78L41-R76 HydrophobicContact CB-CB 4.43Å; L41-R76 WeakPolarHBondContact CB-O 3.31Å; L41-R76 PolarHBondContact N-O 2.82Å; L41-R76 PolarHBondContact O-N 2.69Å; Y51-R76 HydrophobicContact CE1-CG 4.4Å; V70-R76 HydrophobicContact CG2-CB 3.82Å; R76-V78 HydrophobicContact CG-CG2 4.44Å
77I98Very high95.7Very high89 Ų8963.3 Ų63.346%0.45632%0.317SS..EExtended strand (participates in β ladder)trans-80.7130.1170.6-59.2172.9000109.6D38 L39D38-I77 HydrophobicContact CB-CG2 3.89Å; L39-I77 CarbonylContact O-C 3.53Å; L39-I77 WeakPolarHBondContact O-CA 3.48Å
78V97.9Very high95.6Very high0 Ų065.2 Ų65.20%033%0.334CS..EExtended strand (participates in β ladder)trans-119121.7172.5178.10000108.6L39 L41 Y51 F53 F63 P65 R76 V80L39-V78 HydrophobicContact CB-CB 4.48Å; L39-V78 PolarHBondContact N-O 2.93Å; L39-V78 PolarHBondContact O-N 3.03Å; L41-V78 HydrophobicContact CD1-CG2 3.75Å; L41-V78 HydrophobicContact CG-CG2 4.26Å; Y51-V78 HydrophobicContact CE2-CG2 4.01Å; F53-V78 HydrophobicContact CD2-CG1 4.32Å; F53-V78 HydrophobicContact CE2-CB 4.15Å; F53-V78 HydrophobicContact CE2-CG1 3.7Å; F53-V78 HydrophobicContact CE2-CG2 4.01Å; F53-V78 HydrophobicContact CZ-CB 4.37Å; F53-V78 HydrophobicContact CZ-CG1 4.13Å; F63-V78 HydrophobicContact CB-CG1 4.32Å; P65-V78 HydrophobicContact CG-CG2 4.39Å; P65-V78 WeakPolarHBondContact O-CG1 3.39Å; R76-V78 HydrophobicContact CG-CG2 4.44Å; V78-V80 PolarHBondContact O-N 2.92Å
79K97.9Very high95.5Very high94 Ų9466.3 Ų66.341%0.40934%0.339SS..EExtended strand (participates in β ladder)trans-81119.3175.8-53.7-154.5167.8-163.90109.3V36 D38 F63 R64V36-K79 HydrophobicContact CG1-CB 4.01Å; V36-K79 HydrophobicContact CG1-CD 4.27Å; D38-K79 WeakPolarHBondContact OD1-CG 3.36Å; F63-K79 WeakPolarHBondContact CA-O 3.47Å; R64-K79 PolarHBondContact N-O 3.09Å; R64-K79 PolarHBondContact O-N 2.99Å
80V97.6Very high95.3Very high0 Ų065.7 Ų65.70%034%0.338CS..EExtended strand (participates in β ladder)trans-95.6118.4169.7-166.90000107.8I25 F27 V36 V37 L39 F63 V78I25-V80 HydrophobicContact CD1-CB 4.26Å; I25-V80 HydrophobicContact CD1-CG1 3.79Å; I25-V80 HydrophobicContact CD1-CG2 4.42Å; F27-V80 HydrophobicContact CE2-CG1 4.5Å; F27-V80 HydrophobicContact CZ-CB 4.26Å; F27-V80 HydrophobicContact CZ-CG1 3.91Å; V36-V80 WeakPolarHBondContact CA-O 3.38Å; V37-V80 PolarHBondContact N-O 3.17Å; V37-V80 PolarHBondContact O-N 2.89Å; L39-V80 HydrophobicContact CB-CG2 4.38Å; L39-V80 HydrophobicContact CD1-CG2 3.38Å; L39-V80 HydrophobicContact CG-CG2 3.61Å; F63-V80 HydrophobicContact CD1-CB 4.45Å; F63-V80 HydrophobicContact CD1-CG1 4.09Å; F63-V80 HydrophobicContact CD1-CG2 3.89Å; F63-V80 HydrophobicContact CE1-CB 4.36Å; F63-V80 HydrophobicContact CE1-CG1 3.65Å; F63-V80 HydrophobicContact CE1-CG2 3.87Å; F63-V80 HydrophobicContact CZ-CG1 4.15Å; V78-V80 PolarHBondContact O-N 2.92Å
81R97.5Very high95.1Very high90 Ų9070.7 Ų70.734%0.3438%0.38SS..EExtended strand (participates in β ladder)trans-106.6122-179.6-57-174.8179.2-175.2-4.9109.3I34 K35 V36 L61 K62I34-R81 HydrophobicContact CG2-CB 4.07Å; I34-R81 HydrophobicContact CG2-CG 4.47Å; K35-R81 CarbonylContact O-C 3.6Å; K35-R81 VanDerWaalsContact O-CA 3.27Å; K35-R81 WeakPolarHBondContact O-CA 3.49Å; V36-R81 HydrophobicContact CG1-CG 4.48Å; V36-R81 HydrophobicContact CG2-CG 4.16Å; L61-R81 WeakPolarHBondContact CA-O 3.37Å; K62-R81 HydrophobicContact CB-CB 4.37Å; K62-R81 PolarHBondContact N-O 2.92Å; K62-R81 PolarHBondContact O-N 2.81Å
82C96.8Very high94.9Very high1 Ų171.3 Ų71.31%0.00739%0.388CS..EExtended strand (participates in β ladder)trans-87.8116.6162.4-175.90000107.8F27 I34 K35 L61F27-C82 HydrophobicContact CB-CB 4.45Å; F27-C82 HydrophobicContact CD1-CB 3.68Å; F27-C82 HydrophobicContact CD2-CB 3.82Å; F27-C82 HydrophobicContact CE1-CB 3.72Å; F27-C82 HydrophobicContact CE2-CB 3.88Å; F27-C82 HydrophobicContact CG-CB 3.71Å; F27-C82 HydrophobicContact CZ-CB 3.83Å; I34-C82 CarbonylContact C-O 3.43Å; I34-C82 VanDerWaalsContact CA-O 3.31Å; I34-C82 WeakPolarHBondContact CA-O 3.34Å; K35-C82 HydrophobicContact CB-CB 4.29Å; K35-C82 PolarHBondContact N-O 3.13Å; K35-C82 PolarHBondContact O-N 2.8Å; L61-C82 HydrophobicContact CD2-CB 4.2Å
83L96.3Very high94.8Very high50 Ų5069 Ų6926%0.26237%0.372SS..PPolyproline II helixtrans-68.1161.8170.4-59.6-165.5000110.1I34 E59 G60 K62I34-L83 HydrophobicContact CD1-CD2 4.18Å; I34-L83 HydrophobicContact CG1-CD2 4.12Å; E59-L83 WeakPolarHBondContact O-CD1 3.44Å; G60-L83 PolarHBondContact O-N 3.04Å; K62-L83 HydrophobicContact CG-CD1 4.24Å; K62-L83 HydrophobicContact CG-CD2 4.25Å; K62-L83 HydrophobicContact CG-CG 4.22Å
84P95.1Very high94.7Very high68 Ų6871.4 Ų71.444%0.44236%0.363SS..PPolyproline II helixtrans-51.3144.4175.3-27.636.1000112F31F31-P84 CarbonylContact O-C 3.54Å; F31-P84 WeakPolarHBondContact O-CA 3.43Å; F31-P84 WeakPolarHBondContact O-CB 3.4Å
85I93.7Very high94.7Very high11 Ų1165.2 Ų65.26%0.05634%0.336CS..  trans-117.5126.1179.2-57.5178.4000107.1F31 P89 Y134 G139F31-I85 HydrophobicContact CB-CB 3.88Å; F31-I85 HydrophobicContact CB-CG1 4.29Å; F31-I85 HydrophobicContact CD1-CD1 4.31Å; F31-I85 HydrophobicContact CG-CB 4.48Å; F31-I85 HydrophobicContact CG-CD1 4.33Å; F31-I85 PolarHBondContact O-N 3.48Å; I85-P89 HydrophobicContact CD1-CB 4.01Å; I85-Y134 HydrophobicContact CD1-CD1 4.02Å; I85-Y134 HydrophobicContact CD1-CE1 3.72Å; I85-G139 WeakPolarHBondContact O-CA 3.28Å
86T90.7Very high94.6Very high88 Ų8860.7 Ų60.754%0.5432%0.317SS..SBendtrans-84.1130.7170.4-51.90000109.1P140 P142T86-P140 WeakPolarHBondContact CG2-O 3.47Å; T86-P142 HydrophobicContact CG2-CB 3.92Å; T86-P142 HydrophobicContact CG2-CG 3.79Å; T86-P142 VanDerWaalsContact CG2-N 3.33Å
87G89.4Confident94.6Very high19 Ų1955 Ų5520%0.19630%0.295CS..SBendtrans65.5-141.9-176.400000113.4G139 P140G87-G139 PolarHBondContact O-N 2.87Å; G87-P140 PolarHBondContact N-O 2.83Å
88N89.8Confident94.5Very high132 Ų13250.8 Ų50.871%0.70627%0.274SS*.SBendtrans-77.7138.9-173.2-69.6-35.6000112.4A138N88-A138 WeakPolarHBondContact OD1-CB 3.38Å
89P92.2Very high94.5Very high32 Ų3250.8 Ų50.821%0.20827%0.274CS..PPolyproline II helixtrans-61.7153.6169.426.9-33.2000111.8F31 I85 A91 Y134F31-P89 HydrophobicContact CD2-CG 4.48Å; F31-P89 HydrophobicContact CE2-CB 4.31Å; F31-P89 HydrophobicContact CE2-CG 3.96Å; I85-P89 HydrophobicContact CD1-CB 4.01Å; P89-A91 PolarHBondContact O-N 2.98Å; P89-Y134 VanDerWaalsContact CB-CB 3.46Å; P89-Y134 HydrophobicContact CB-CD1 3.92Å; P89-Y134 HydrophobicContact CB-CD2 3.85Å; P89-Y134 HydrophobicContact CB-CG 3.46Å; P89-Y134 VanDerWaalsContact CB-CG 3.46Å; P89-Y134 HydrophobicContact CG-CG 4.26Å
90P91.1Very high94.3Very high35 Ų3546.5 Ų46.523%0.22726%0.256CS..PPolyproline II helixtrans-60.1138.3177.2-14.623.8000111.8R57 K92 D93 Y134R57-P90 VanDerWaalsContact CZ-CG 3.45Å; P90-K92 VanDerWaalsContact C-N 3.29Å; P90-K92 PolarHBondContact O-N 3.27Å; P90-D93 HydrophobicContact CB-CB 4.47Å; P90-Y134 HydrophobicContact CG-CE2 4.23Å
91A90.4Very high94.2Very high109 Ų10946.5 Ų46.590%0.90126%0.256SS*.SBendtrans-68.5-26.9177.700000113.5P89P89-A91 PolarHBondContact O-N 2.98Å
92K91.7Very high93.9Very high196 Ų19642.3 Ų42.385%0.85224%0.24SC*.SBendtrans-137.7123.1177.2-66.7-177.9-178.4177.10109P90P90-K92 VanDerWaalsContact C-N 3.29Å; P90-K92 PolarHBondContact O-N 3.27Å
93D94.9Very high93.5Very high8 Ų842.9 Ų42.94%0.04324%0.244CC..EExtended strand (participates in β ladder)trans-147.3147.6175.6-158.51.8000109T56 R57 P90 V132 Y134T56-D93 PolarHBondContact OG1-OD1 2.75Å; R57-D93 WeakPolarHBondContact CD-OD2 3.16Å; R57-D93 IonicContact CZ-OD2 2.86Å; R57-D93 IonicContact NH1-OD2 3.19Å; R57-D93 PolarHBondContact NH1-OD2 2.69Å; P90-D93 HydrophobicContact CB-CB 4.47Å; D93-V132 HydrophobicContact CB-CB 4.02Å; D93-V132 PolarHBondContact O-N 3.06Å; D93-Y134 HydrophobicContact CB-CE2 3.79Å; D93-Y134 PolarHBondContact OD2-OH 2.88Å
94R96.2Very high92.8Very high108 Ų10846.4 Ų46.441%0.40826%0.263SS..EExtended strand (participates in β ladder)trans-151.1142.7-172.1176.9176.3154.6178-9110.4C55 T56 T96 S129 I130C55-R94 VanDerWaalsContact CA-O 3.25Å; C55-R94 WeakPolarHBondContact CA-O 3.41Å; C55-R94 WeakPolarHBondContact CB-O 3.36Å; T56-R94 PolarHBondContact N-O 2.96Å; T56-R94 PolarHBondContact OG1-N 3.42Å; T56-R94 PolarHBondContact OG1-O 2.87Å; T56-R94 VanDerWaalsContact OG1-O 3.11Å; R94-T96 PolarHBondContact NE-OG1 3.36Å; R94-T96 PolarHBondContact NH2-OG1 2.87Å; R94-T96 VanDerWaalsContact NH2-OG1 3.13Å; R94-S129 VanDerWaalsContact NH2-CB 3.34Å; R94-S129 PolarHBondContact NH2-OG 2.85Å; R94-I130 WeakPolarHBondContact CA-O 3.2Å; R94-I130 WeakPolarHBondContact CG-O 3.3Å
95C96.2Very high92.1Very high0 Ų049.8 Ų49.80%028%0.278CS..EExtended strand (participates in β ladder)trans-112.9151.4160.971.90000111.3R54 C55 F63 I130R54-C95 CarbonylContact O-C 3.52Å; R54-C95 VanDerWaalsContact O-CA 3.28Å; R54-C95 WeakPolarHBondContact O-CA 3.35Å; C55-C95 HydrophobicContact CB-CB 4.02Å; F63-C95 HydrophobicContact CE1-CB 3.94Å; F63-C95 HydrophobicContact CZ-CB 3.47Å; F63-C95 VanDerWaalsContact CZ-CB 3.47Å; C95-I130 PolarHBondContact N-O 2.85Å; C95-I130 PolarHBondContact O-N 2.9Å
96T96.5Very high91.5Very high25 Ų2551.7 Ų51.715%0.15329%0.286CS..EExtended strand (participates in β ladder)trans-127.9120.9178.7-58.20000108.2F53 R54 R94 V98 R127 Y128F53-T96 WeakPolarHBondContact CA-O 3.31Å; R54-T96 PolarHBondContact N-O 2.86Å; R54-T96 PolarHBondContact O-N 2.78Å; R94-T96 PolarHBondContact NE-OG1 3.36Å; R94-T96 PolarHBondContact NH2-OG1 2.87Å; R94-T96 VanDerWaalsContact NH2-OG1 3.13Å; T96-V98 HydrophobicContact CG2-CG2 4.47Å; T96-R127 HydrophobicContact CG2-CB 4.25Å; T96-Y128 CarbonylContact C-O 3.55Å; T96-Y128 VanDerWaalsContact CA-O 3.28Å; T96-Y128 WeakPolarHBondContact CA-O 3.31Å
97L97.1Very high90.6Very high0 Ų055.4 Ų55.40%030%0.295CS..EExtended strand (participates in β ladder)trans-89115.9170177.566.5000108.3M17 V19 L41 Y51 F53 V99 R127 Y128M17-L97 HydrophobicContact CG-CD2 4.19Å; V19-L97 HydrophobicContact CG2-CD2 3.66Å; L41-L97 HydrophobicContact CD1-CD1 4.37Å; L41-L97 HydrophobicContact CD1-CD2 4.35Å; L41-L97 HydrophobicContact CD2-CD2 3.67Å; Y51-L97 HydrophobicContact CD2-CD1 3.84Å; Y51-L97 HydrophobicContact CG-CD1 4.13Å; F53-L97 HydrophobicContact CD1-CB 4.32Å; F53-L97 HydrophobicContact CD1-CD1 4.2Å; F53-L97 HydrophobicContact CD2-CD1 3.98Å; F53-L97 HydrophobicContact CE1-CB 4.02Å; F53-L97 HydrophobicContact CE1-CD1 3.89Å; F53-L97 HydrophobicContact CE1-CG 4.46Å; F53-L97 HydrophobicContact CE2-CD1 3.62Å; F53-L97 HydrophobicContact CG-CD1 4.26Å; F53-L97 HydrophobicContact CZ-CB 4.48Å; F53-L97 HydrophobicContact CZ-CD1 3.6Å; F53-L97 HydrophobicContact CZ-CG 4.44Å; L97-V99 HydrophobicContact CD2-CG2 3.95Å; L97-V99 HydrophobicContact CG-CG2 3.79Å; L97-R127 CarbonylContact O-C 3.54Å; L97-R127 WeakPolarHBondContact O-CA 3.37Å; L97-Y128 HydrophobicContact CD2-CD2 4.21Å; L97-Y128 HydrophobicContact CG-CD2 4.48Å; L97-Y128 PolarHBondContact N-O 2.93Å; L97-Y128 PolarHBondContact O-N 2.89Å
98V96.4Very high89.9Confident1 Ų155.3 Ų55.31%0.00629%0.291CS..EExtended strand (participates in β ladder)trans-92.3130.7171.5179.90000108.1Y51 K52 T96 W115 E124Y51-V98 CarbonylContact C-O 3.48Å; Y51-V98 VanDerWaalsContact CA-O 3.23Å; Y51-V98 WeakPolarHBondContact CA-O 3.2Å; K52-V98 PolarHBondContact N-O 2.95Å; K52-V98 PolarHBondContact O-N 2.85Å; T96-V98 HydrophobicContact CG2-CG2 4.47Å; V98-W115 HydrophobicContact CG1-CH2 4.16Å; V98-E124 HydrophobicContact CG1-CB 3.84Å; V98-E124 HydrophobicContact CG1-CG 3.52Å
99V96.6Very high89.1Confident0 Ų053.4 Ų53.40%029%0.293CS..EExtended strand (participates in β ladder)trans-126139-178.2-175.70000110.3A14 M17 L49 A50 L97 M125 A126 Y128A14-V99 HydrophobicContact CB-CG1 4.28Å; A14-V99 WeakPolarHBondContact O-CG1 3.28Å; M17-V99 HydrophobicContact CB-CG1 4.29Å; M17-V99 HydrophobicContact CB-CG2 4.15Å; M17-V99 HydrophobicContact CE-CG1 4.15Å; M17-V99 HydrophobicContact CE-CG2 4.4Å; M17-V99 HydrophobicContact CG-CG2 4.22Å; L49-V99 HydrophobicContact CB-CG1 4.03Å; L49-V99 HydrophobicContact CD1-CG1 4.1Å; L49-V99 HydrophobicContact CD2-CG1 4.31Å; L49-V99 HydrophobicContact CG-CG1 4.37Å; A50-V99 WeakPolarHBondContact O-CA 3.41Å; L97-V99 HydrophobicContact CD2-CG2 3.95Å; L97-V99 HydrophobicContact CG-CG2 3.79Å; V99-M125 PolarHBondContact O-N 2.58Å; V99-A126 HydrophobicContact CB-CB 4.33Å; V99-A126 PolarHBondContact N-O 2.87Å; V99-A126 PolarHBondContact O-N 2.56Å; V99-Y128 HydrophobicContact CB-CE2 4.24Å; V99-Y128 HydrophobicContact CG2-CD2 3.87Å; V99-Y128 HydrophobicContact CG2-CE2 3.67Å
100V95Very high88.4Confident4 Ų458.9 Ų58.92%0.02431%0.314CS..EExtended strand (participates in β ladder)trans-134.6130.2177.2-178.90000108.7L49 A50 L102 F114 W115 V122 K123 M125L49-V100 CarbonylContact C-O 3.47Å; L49-V100 WeakPolarHBondContact CA-O 3.5Å; A50-V100 PolarHBondContact N-O 3.47Å; A50-V100 PolarHBondContact O-N 3.01Å; V100-L102 WeakPolarHBondContact O-CD1 3.25Å; V100-F114 HydrophobicContact CB-CE1 4.34Å; V100-F114 HydrophobicContact CB-CZ 4.19Å; V100-F114 HydrophobicContact CG1-CE1 4.48Å; V100-F114 HydrophobicContact CG1-CZ 3.85Å; V100-W115 HydrophobicContact CG2-CH2 3.95Å; V100-V122 HydrophobicContact CB-CG1 4.29Å; V100-V122 HydrophobicContact CG1-CG1 4.3Å; V100-V122 HydrophobicContact CG2-CG1 3.57Å; V100-K123 VanDerWaalsContact CG2-O 3.3Å; V100-K123 WeakPolarHBondContact CG2-O 3.41Å; V100-M125 HydrophobicContact CG1-CE 4.1Å; V100-M125 HydrophobicContact CG1-CG 4.5Å; V100-M125 HydrophobicContact CG1-SD 3.99Å
101A94.3Very high87.9Confident0 Ų057.5 Ų57.50%031%0.306CS..EExtended strand (participates in β ladder)trans-85.9140.8172.400000110.1L10 A13 A14 F47 L49 M125L10-A101 HydrophobicContact CB-CB 4.06Å; L10-A101 HydrophobicContact CD2-CB 3.81Å; L10-A101 WeakPolarHBondContact O-CB 3.45Å; A13-A101 HydrophobicContact CB-CB 3.81Å; A14-A101 HydrophobicContact CB-CB 4.31Å; F47-A101 HydrophobicContact CB-CB 4.26Å; L49-A101 HydrophobicContact CD2-CB 3.6Å; A101-M125 HydrophobicContact CB-SD 4.18Å
102L91.6Very high87.5Confident1 Ų155 Ų551%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-104.4135.7-179.8-74.974.9000109.9F47 R48 A50 M69 V100 Q106 P108 F114F47-L102 WeakPolarHBondContact CD1-O 3.28Å; R48-L102 HydrophobicContact CB-CB 4.41Å; R48-L102 PolarHBondContact O-N 2.8Å; A50-L102 HydrophobicContact CB-CD1 3.6Å; M69-L102 HydrophobicContact SD-CD2 4.34Å; V100-L102 WeakPolarHBondContact O-CD1 3.25Å; L102-Q106 HydrophobicContact CB-CB 4.18Å; L102-Q106 HydrophobicContact CD2-CB 4.18Å; L102-Q106 HydrophobicContact CG-CB 4.29Å; L102-P108 HydrophobicContact CD2-CG 3.74Å; L102-F114 HydrophobicContact CD1-CD2 4.41Å; L102-F114 HydrophobicContact CD1-CE2 3.92Å; L102-F114 HydrophobicContact CD1-CZ 4.04Å; L102-F114 HydrophobicContact CD2-CD2 3.76Å; L102-F114 HydrophobicContact CD2-CE2 3.84Å; L102-F114 HydrophobicContact CG-CD2 4.17Å; L102-F114 HydrophobicContact CG-CE2 3.71Å; L102-F114 HydrophobicContact CG-CZ 4.3Å
103S88Confident87.2Confident14 Ų1452.2 Ų52.210%0.09827%0.267CS..  trans-70.2169.8164.670.20000111.1D105 Q106S103-D105 PolarHBondContact O-N 2.8Å; S103-Q106 VanDerWaalsContact N-OE1 3.16Å; S103-Q106 PolarHBondContact O-N 2.92Å
104D81.8Confident86.8Confident123 Ų12351.9 Ų51.966%0.65827%0.266SS*.SBendtrans-68.5-25.2177.6-68.4-30.8000113Q106 K107D104-Q106 VanDerWaalsContact C-N 3.32Å; D104-K107 WeakPolarHBondContact O-CE 3.31Å; D104-K107 WeakPolarHBondContact O-CG 3.41Å
105D81.1Confident86.3Confident140 Ų14048.8 Ų48.875%0.74925%0.254SS*.SBendtrans-70.9-30.7176.1-58-40.1000111.8S103 K107S103-D105 PolarHBondContact O-N 2.8Å; D105-K107 PolarHBondContact O-N 2.9Å; D105-K107 VanDerWaalsContact O-N 3.08Å
106Q80.5Confident85.8Confident51 Ų5155.9 Ų55.924%0.23829%0.285CS..  trans-77.197175-67.8177.7-61.500109.7R48 L102 S103 D104 P108 N120R48-Q106 PolarHBondContact NH2-O 2.82Å; L102-Q106 HydrophobicContact CB-CB 4.18Å; L102-Q106 HydrophobicContact CD2-CB 4.18Å; L102-Q106 HydrophobicContact CG-CB 4.29Å; S103-Q106 VanDerWaalsContact N-OE1 3.16Å; S103-Q106 PolarHBondContact O-N 2.92Å; D104-Q106 VanDerWaalsContact C-N 3.32Å; Q106-P108 WeakPolarHBondContact O-CD 3.34Å; Q106-N120 PolarHBondContact NE2-OD1 2.86Å
107K72.9Confident85.1Confident165 Ų16557.4 Ų57.472%0.71729%0.292SS*.  trans-10542-177.5-61.9179.5-173.7175.10116.1D104 D105 A109D104-K107 WeakPolarHBondContact O-CE 3.31Å; D104-K107 WeakPolarHBondContact O-CG 3.41Å; D105-K107 PolarHBondContact O-N 2.9Å; D105-K107 VanDerWaalsContact O-N 3.08Å; K107-A109 PolarHBondContact O-N 2.81Å
108P74.5Confident84.2Confident18 Ų1863 Ų6312%0.11733%0.328CS..  trans-64.8129.2169.212.2-4.6000109.7M69 L102 Q106 K110 F114M69-P108 WeakPolarHBondContact CE-O 3.27Å; L102-P108 HydrophobicContact CD2-CG 3.74Å; Q106-P108 WeakPolarHBondContact O-CD 3.34Å; P108-K110 VanDerWaalsContact C-N 3.31Å; P108-F114 HydrophobicContact CB-CB 3.9Å; P108-F114 HydrophobicContact CG-CB 3.73Å; P108-F114 HydrophobicContact CG-CD2 3.59Å; P108-F114 HydrophobicContact CG-CG 4.12Å
109A71.6Confident83.2Confident91 Ų9169.8 Ų69.875%0.75236%0.364SS*.SBendtrans-73.5-24.9175.800000112.6M69 K107M69-A109 VanDerWaalsContact CE-C 3.42Å; M69-A109 VanDerWaalsContact CE-O 3.28Å; M69-A109 WeakPolarHBondContact CE-O 3.34Å; K107-A109 PolarHBondContact O-N 2.81Å
110K79.4Confident82.1Confident147 Ų14771.1 Ų71.164%0.63937%0.372SS*.SBendtrans-137.2142.1-174.8-63.1-178.1-177.6176.30110.8P108 T112 K113 F114P108-K110 VanDerWaalsContact C-N 3.31Å; K110-T112 PolarHBondContact O-N 2.86Å; K110-K113 PolarHBondContact O-N 2.78Å; K110-F114 PolarHBondContact O-N 2.86Å
111G80Confident80.7Confident6 Ų676.5 Ų76.56%0.06241%0.407CS..Hα-helixtrans-57.6-36.6176.600000112.6K113 F114 W115G111-K113 PolarHBondContact O-N 2.87Å; G111-F114 WeakPolarHBondContact O-CB 3.39Å; G111-F114 PolarHBondContact O-N 3.03Å; G111-W115 PolarHBondContact O-N 3.11Å
112T82.5Confident79.7Confident57 Ų5778.6 Ų78.635%0.3542%0.419SS..Hα-helixtrans-54.8-40.9175.7-37.70000112.9Y67 K110 K116Y67-T112 HydrophobicContact CE2-CG2 3.72Å; Y67-T112 WeakPolarHBondContact CE2-OG1 3.42Å; K110-T112 PolarHBondContact O-N 2.86Å; T112-K116 HydrophobicContact CG2-CD 4.05Å; T112-K116 WeakPolarHBondContact O-CB 3.47Å; T112-K116 VanDerWaalsContact O-CG 3.31Å; T112-K116 WeakPolarHBondContact O-CG 3.49Å; T112-K116 PolarHBondContact O-N 2.88Å
113K84Confident79.2Confident137 Ų13784.6 Ų84.660%0.59645%0.445SS*.Hα-helixtrans-70.7-49.9179.5-171176.2178.9179.40109.2K110 G111 W115 K116 D117K110-K113 PolarHBondContact O-N 2.78Å; G111-K113 PolarHBondContact O-N 2.87Å; K113-W115 VanDerWaalsContact C-N 3.27Å; K113-W115 PolarHBondContact O-N 3.07Å; K113-K116 PolarHBondContact O-N 3.16Å; K113-K116 VanDerWaalsContact O-N 3.15Å; K113-D117 VanDerWaalsContact O-CB 3.31Å; K113-D117 WeakPolarHBondContact O-CB 3.4Å; K113-D117 PolarHBondContact O-N 3.47Å
114F86.8Confident79Confident2 Ų286.5 Ų86.51%0.00945%0.453CS..Hα-helixtrans-50.9-43.9178.2177.7-96.4000113.6A50 V100 L102 P108 K110 G111 N120 V122A50-F114 HydrophobicContact CB-CD1 3.44Å; A50-F114 VanDerWaalsContact CB-CD1 3.44Å; A50-F114 HydrophobicContact CB-CE1 3.42Å; A50-F114 VanDerWaalsContact CB-CE1 3.42Å; A50-F114 HydrophobicContact CB-CG 4.13Å; A50-F114 HydrophobicContact CB-CZ 4.07Å; V100-F114 HydrophobicContact CB-CE1 4.34Å; V100-F114 HydrophobicContact CB-CZ 4.19Å; V100-F114 HydrophobicContact CG1-CE1 4.48Å; V100-F114 HydrophobicContact CG1-CZ 3.85Å; L102-F114 HydrophobicContact CD1-CD2 4.41Å; L102-F114 HydrophobicContact CD1-CE2 3.92Å; L102-F114 HydrophobicContact CD1-CZ 4.04Å; L102-F114 HydrophobicContact CD2-CD2 3.76Å; L102-F114 HydrophobicContact CD2-CE2 3.84Å; L102-F114 HydrophobicContact CG-CD2 4.17Å; L102-F114 HydrophobicContact CG-CE2 3.71Å; L102-F114 HydrophobicContact CG-CZ 4.3Å; P108-F114 HydrophobicContact CB-CB 3.9Å; P108-F114 HydrophobicContact CG-CB 3.73Å; P108-F114 HydrophobicContact CG-CD2 3.59Å; P108-F114 HydrophobicContact CG-CG 4.12Å; K110-F114 PolarHBondContact O-N 2.86Å; G111-F114 WeakPolarHBondContact O-CB 3.39Å; G111-F114 PolarHBondContact O-N 3.03Å; F114-N120 WeakPolarHBondContact CD2-ND2 3.47Å; F114-N120 WeakPolarHBondContact CE2-ND2 3.19Å; F114-N120 PolarHBondContact O-ND2 2.82Å; F114-N120 VanDerWaalsContact O-ND2 3.14Å; F114-V122 HydrophobicContact CE1-CG1 3.91Å; F114-V122 HydrophobicContact CE1-CG2 3.93Å; F114-V122 HydrophobicContact CZ-CG1 4.12Å; F114-V122 HydrophobicContact CZ-CG2 4.13Å
115W86.6Confident79.5Confident42 Ų4282.4 Ų82.416%0.15943%0.43CS..Hα-helixtrans-84.8-11.9-175.6-69.7113.5000115.4A50 Y51 K52 V98 V100 G111 K113 V122A50-W115 HydrophobicContact CB-CZ2 4Å; Y51-W115 VanDerWaalsContact C-CZ2 3.43Å; Y51-W115 PolarHBondContact O-NE1 2.74Å; K52-W115 HydrophobicContact CB-CD2 4.09Å; K52-W115 HydrophobicContact CB-CE3 4.33Å; K52-W115 HydrophobicContact CB-CH2 4Å; K52-W115 HydrophobicContact CB-CZ2 3.76Å; K52-W115 HydrophobicContact CB-CZ3 4.25Å; K52-W115 HydrophobicContact CD-CD2 4.33Å; K52-W115 HydrophobicContact CD-CE3 4.12Å; K52-W115 HydrophobicContact CD-CZ3 4.42Å; V98-W115 HydrophobicContact CG1-CH2 4.16Å; V100-W115 HydrophobicContact CG2-CH2 3.95Å; G111-W115 PolarHBondContact O-N 3.11Å; K113-W115 VanDerWaalsContact C-N 3.27Å; K113-W115 PolarHBondContact O-N 3.07Å; W115-V122 HydrophobicContact CE3-CB 4.49Å; W115-V122 HydrophobicContact CE3-CG1 4.07Å; W115-V122 HydrophobicContact CE3-CG2 4.21Å; W115-V122 HydrophobicContact CH2-CG1 3.91Å; W115-V122 HydrophobicContact CZ3-CB 4.22Å; W115-V122 HydrophobicContact CZ3-CG1 3.44Å; W115-V122 VanDerWaalsContact CZ3-CG1 3.44Å; W115-V122 HydrophobicContact CZ3-CG2 4.4Å
116K84Confident80.2Confident150 Ų15076.4 Ų76.465%0.65240%0.4SS*.Hα-helixtrans-111.3-6.7-179-68.7-174.6178.3-170.40112.9T112 K113 P118T112-K116 HydrophobicContact CG2-CD 4.05Å; T112-K116 WeakPolarHBondContact O-CB 3.47Å; T112-K116 VanDerWaalsContact O-CG 3.31Å; T112-K116 WeakPolarHBondContact O-CG 3.49Å; T112-K116 PolarHBondContact O-N 2.88Å; K113-K116 PolarHBondContact O-N 3.16Å; K113-K116 VanDerWaalsContact O-N 3.15Å; K116-P118 WeakPolarHBondContact O-CD 3.39Å
117D82.9Confident81Confident57 Ų5781.7 Ų81.731%0.30542%0.418SS..  trans-74.1114.1-178.2-164.2-24.2000109.6K113 D119 N120K113-D117 VanDerWaalsContact O-CB 3.31Å; K113-D117 WeakPolarHBondContact O-CB 3.4Å; K113-D117 PolarHBondContact O-N 3.47Å; D117-D119 PolarHBondContact O-N 3.2Å; D117-D119 PolarHBondContact OD1-N 3.13Å; D117-D119 VanDerWaalsContact OD1-N 3.09Å; D117-N120 HydrophobicContact CB-CB 4.01Å; D117-N120 PolarHBondContact O-N 2.85Å
118P77.4Confident82.1Confident116 Ų11676 Ų7675%0.75339%0.392SS*.THydrogen-bonded Turntrans-66-24.3179.728.7-34.8000112.4K116 N120K116-P118 WeakPolarHBondContact O-CD 3.39Å; P118-N120 PolarHBondContact O-N 2.7Å
119D76.8Confident83.1Confident144 Ų14477.5 Ų77.577%0.7740%0.403SS*.THydrogen-bonded Turntrans-81.9-5.2-178.6-59.4-40.9000112.5D117 P121D117-D119 PolarHBondContact O-N 3.2Å; D117-D119 PolarHBondContact OD1-N 3.13Å; D117-D119 VanDerWaalsContact OD1-N 3.09Å; D119-P121 WeakPolarHBondContact O-CD 3.28Å
120N72Confident84.3Confident29 Ų2973.2 Ų73.216%0.15537%0.368CS..SBendtrans-110.485.9-179.9-175.343000109.8Q106 F114 D117 P118 V122Q106-N120 PolarHBondContact NE2-OD1 2.86Å; F114-N120 WeakPolarHBondContact CD2-ND2 3.47Å; F114-N120 WeakPolarHBondContact CE2-ND2 3.19Å; F114-N120 PolarHBondContact O-ND2 2.82Å; F114-N120 VanDerWaalsContact O-ND2 3.14Å; D117-N120 HydrophobicContact CB-CB 4.01Å; D117-N120 PolarHBondContact O-N 2.85Å; P118-N120 PolarHBondContact O-N 2.7Å; N120-V122 WeakPolarHBondContact O-CG2 3.49Å; N120-V122 PolarHBondContact O-N 3.03Å
121P66.1Low85.2Confident117 Ų11770.6 Ų70.676%0.7636%0.358SS*.  trans-64.499.9176.526.4-33.3000109.1D119 K123D119-P121 WeakPolarHBondContact O-CD 3.28Å; P121-K123 PolarHBondContact O-N 3.03Å
122V72.8Confident86Confident43 Ų4370.6 Ų70.626%0.26136%0.356SS..  trans-74102-175.7-1750000109.5V100 F114 W115 N120 E124V100-V122 HydrophobicContact CB-CG1 4.29Å; V100-V122 HydrophobicContact CG1-CG1 4.3Å; V100-V122 HydrophobicContact CG2-CG1 3.57Å; F114-V122 HydrophobicContact CE1-CG1 3.91Å; F114-V122 HydrophobicContact CE1-CG2 3.93Å; F114-V122 HydrophobicContact CZ-CG1 4.12Å; F114-V122 HydrophobicContact CZ-CG2 4.13Å; W115-V122 HydrophobicContact CE3-CB 4.49Å; W115-V122 HydrophobicContact CE3-CG1 4.07Å; W115-V122 HydrophobicContact CE3-CG2 4.21Å; W115-V122 HydrophobicContact CH2-CG1 3.91Å; W115-V122 HydrophobicContact CZ3-CB 4.22Å; W115-V122 HydrophobicContact CZ3-CG1 3.44Å; W115-V122 VanDerWaalsContact CZ3-CG1 3.44Å; W115-V122 HydrophobicContact CZ3-CG2 4.4Å; N120-V122 WeakPolarHBondContact O-CG2 3.49Å; N120-V122 PolarHBondContact O-N 3.03Å; V122-E124 PolarHBondContact O-N 2.85Å
123K81Confident86.6Confident128 Ų12871.8 Ų71.856%0.55736%0.357SS*.  trans-74.8112.1168.4-169172.4-178.5176.20108.7E7 V100 P121 M125E7-K123 IonicContact OE1-NZ 2.61Å; E7-K123 PolarHBondContact OE1-NZ 2.93Å; V100-K123 VanDerWaalsContact CG2-O 3.3Å; V100-K123 WeakPolarHBondContact CG2-O 3.41Å; P121-K123 PolarHBondContact O-N 3.03Å; K123-M125 WeakPolarHBondContact O-CG 3.35Å; K123-M125 PolarHBondContact O-N 2.77Å; K123-M125 VanDerWaalsContact O-N 3.14Å
124E85.4Confident87.2Confident53 Ų5366.9 Ų66.925%0.24834%0.335CS..  trans-65.6113174.8-59.1-171.8178.600109.3R54 V98 V122 R127R54-E124 IonicContact CZ-OE1 3.42Å; R54-E124 IonicContact NH1-OE1 3.97Å; R54-E124 PolarHBondContact NH1-OE1 2.92Å; R54-E124 IonicContact NH1-OE2 2.72Å; R54-E124 PolarHBondContact NH1-OE2 2.79Å; R54-E124 IonicContact NH2-OE1 3.82Å; R54-E124 PolarHBondContact NH2-OE1 2.82Å; V98-E124 HydrophobicContact CG1-CB 3.84Å; V98-E124 HydrophobicContact CG1-CG 3.52Å; V122-E124 PolarHBondContact O-N 2.85Å; E124-R127 IonicContact OE2-CZ 2.72Å; E124-R127 IonicContact OE2-NE 3.11Å; E124-R127 PolarHBondContact OE2-NE 2.95Å; E124-R127 IonicContact OE2-NH2 2.69Å; E124-R127 PolarHBondContact OE2-NH2 3.02Å
125M91.5Very high87.4Confident37 Ų3771.8 Ų71.818%0.18236%0.358CS..  trans-96.8-34.8-172.3-70.1171.4-175.900112.5L10 A14 V99 V100 A101 K123L10-M125 HydrophobicContact CB-CE 3.94Å; L10-M125 HydrophobicContact CB-SD 3.9Å; L10-M125 HydrophobicContact CD1-CE 4.37Å; A14-M125 HydrophobicContact CB-CB 3.39Å; A14-M125 HydrophobicContact CB-CG 4.45Å; A14-M125 HydrophobicContact CB-SD 4.33Å; V99-M125 PolarHBondContact O-N 2.58Å; V100-M125 HydrophobicContact CG1-CE 4.1Å; V100-M125 HydrophobicContact CG1-CG 4.5Å; V100-M125 HydrophobicContact CG1-SD 3.99Å; A101-M125 HydrophobicContact CB-SD 4.18Å; K123-M125 WeakPolarHBondContact O-CG 3.35Å; K123-M125 PolarHBondContact O-N 2.77Å; K123-M125 VanDerWaalsContact O-N 3.14Å
126A95.9Very high87.4Confident15 Ų1572.6 Ų72.612%0.12438%0.379CS..EExtended strand (participates in β ladder)trans-139.6151.6175.900000111.7A14 V99 Y128A14-A126 HydrophobicContact CB-CB 3.8Å; A14-A126 VanDerWaalsContact O-CB 3.31Å; A14-A126 WeakPolarHBondContact O-CB 3.34Å; V99-A126 HydrophobicContact CB-CB 4.33Å; V99-A126 PolarHBondContact N-O 2.87Å; V99-A126 PolarHBondContact O-N 2.56Å; A126-Y128 HydrophobicContact CB-CE2 4.07Å
127R96.1Very high86.9Confident162 Ų16268 Ų6861%0.61138%0.375SS*.EExtended strand (participates in β ladder)trans-136.7123.6179.2-64.7178.9177.9164.32.2109.6T96 L97 E124T96-R127 HydrophobicContact CG2-CB 4.25Å; L97-R127 CarbonylContact O-C 3.54Å; L97-R127 WeakPolarHBondContact O-CA 3.37Å; E124-R127 IonicContact OE2-CZ 2.72Å; E124-R127 IonicContact OE2-NE 3.11Å; E124-R127 PolarHBondContact OE2-NE 2.95Å; E124-R127 IonicContact OE2-NH2 2.69Å; E124-R127 PolarHBondContact OE2-NH2 3.02Å
128Y96.5Very high86.6Confident44 Ų4468 Ų6817%0.17338%0.382CS..EExtended strand (participates in β ladder)trans-107.4122.4174.1-56.3-101.8000108.7A14 G15 M17 V19 T96 L97 V99 A126A14-Y128 PolarHBondContact O-OH 2.88Å; A14-Y128 VanDerWaalsContact O-OH 3.13Å; G15-Y128 VanDerWaalsContact CA-OH 3.23Å; G15-Y128 WeakPolarHBondContact CA-OH 2.77Å; G15-Y128 PolarHBondContact O-OH 3.07Å; M17-Y128 HydrophobicContact CB-CE2 3.86Å; M17-Y128 PolarHBondContact N-OH 3.08Å; M17-Y128 WeakPolarHBondContact O-CE1 3.4Å; M17-Y128 PolarHBondContact O-OH 3.46Å; M17-Y128 VanDerWaalsContact O-OH 3.04Å; V19-Y128 HydrophobicContact CG2-CD1 4.07Å; V19-Y128 HydrophobicContact CG2-CG 4.09Å; T96-Y128 CarbonylContact C-O 3.55Å; T96-Y128 VanDerWaalsContact CA-O 3.28Å; T96-Y128 WeakPolarHBondContact CA-O 3.31Å; L97-Y128 HydrophobicContact CD2-CD2 4.21Å; L97-Y128 HydrophobicContact CG-CD2 4.48Å; L97-Y128 PolarHBondContact N-O 2.93Å; L97-Y128 PolarHBondContact O-N 2.89Å; V99-Y128 HydrophobicContact CB-CE2 4.24Å; V99-Y128 HydrophobicContact CG2-CD2 3.87Å; V99-Y128 HydrophobicContact CG2-CE2 3.67Å; A126-Y128 HydrophobicContact CB-CE2 4.07Å
129S96.1Very high86.6Confident51 Ų5162.9 Ų62.936%0.35735%0.351SS..EExtended strand (participates in β ladder)trans-98.2120.1-176.7-52.20000108.3R94R94-S129 VanDerWaalsContact NH2-CB 3.34Å; R94-S129 PolarHBondContact NH2-OG 2.85Å
130I97.1Very high86.8Confident1 Ų158.9 Ų58.91%0.00533%0.333CS..EExtended strand (participates in β ladder)trans-122.1112.7-177.5-51.7168.2000107.5V19 D23 I25 L39 R94 C95V19-I130 HydrophobicContact CG1-CD1 3.84Å; D23-I130 CarbonylContact O-C 3.58Å; D23-I130 WeakPolarHBondContact O-CA 3.22Å; I25-I130 HydrophobicContact CG1-CG2 4.28Å; I25-I130 HydrophobicContact CG2-CG2 4.06Å; L39-I130 HydrophobicContact CD1-CD1 4Å; L39-I130 HydrophobicContact CD2-CD1 4.36Å; R94-I130 WeakPolarHBondContact CA-O 3.2Å; R94-I130 WeakPolarHBondContact CG-O 3.3Å; C95-I130 PolarHBondContact N-O 2.85Å; C95-I130 PolarHBondContact O-N 2.9Å
131E97.2Very high87.1Confident92 Ų9262.5 Ų62.543%0.4336%0.358SS..EExtended strand (participates in β ladder)trans-64.8140.4173.4-169.7-177.3-159.900110.1D23 Q24 I25 K133D23-E131 PolarHBondContact O-N 3.47Å; Q24-E131 CarbonylContact C-O 3.59Å; Q24-E131 VanDerWaalsContact CA-O 3.28Å; Q24-E131 WeakPolarHBondContact CA-O 3.49Å; Q24-E131 HydrophobicContact CG-CB 4.46Å; Q24-E131 PolarHBondContact NE2-OE2 2.92Å; I25-E131 PolarHBondContact N-O 2.82Å; E131-K133 HydrophobicContact CG-CG 4.33Å; E131-K133 VanDerWaalsContact OE2-CE 3.31Å; E131-K133 WeakPolarHBondContact OE2-CE 3.44Å; E131-K133 IonicContact OE2-NZ 3.96Å
132V97.2Very high87.5Confident5 Ų561.4 Ų61.43%0.0335%0.351CS..EExtended strand (participates in β ladder)trans-110.7114.2175.2-176.10000108I25 F27 L61 D93 Y134I25-V132 HydrophobicContact CD1-CG1 4.32Å; I25-V132 HydrophobicContact CD1-CG2 3.83Å; I25-V132 HydrophobicContact CG1-CB 4.22Å; I25-V132 HydrophobicContact CG1-CG1 4.16Å; I25-V132 HydrophobicContact CG1-CG2 3.8Å; I25-V132 WeakPolarHBondContact O-CA 3.35Å; F27-V132 HydrophobicContact CD2-CG1 3.7Å; F27-V132 HydrophobicContact CE2-CG1 3.71Å; L61-V132 HydrophobicContact CD1-CG1 4.37Å; L61-V132 HydrophobicContact CD1-CG2 3.99Å; L61-V132 HydrophobicContact CD2-CG1 4.41Å; D93-V132 HydrophobicContact CB-CB 4.02Å; D93-V132 PolarHBondContact O-N 3.06Å; V132-Y134 HydrophobicContact CG1-CE1 4.25Å; V132-Y134 HydrophobicContact CG1-CE2 4.01Å
133K95.9Very high87.7Confident82 Ų8268.8 Ų68.836%0.35738%0.38SS..EExtended strand (participates in β ladder)trans-103.6152.2177.1-72.9-164.1174.1169.30111.6Q24 I25 T26 F27 E131Q24-K133 HydrophobicContact CG-CD 4.33Å; Q24-K133 HydrophobicContact CG-CG 4.24Å; Q24-K133 VanDerWaalsContact NE2-CD 3.32Å; I25-K133 PolarHBondContact O-N 3.19Å; T26-K133 CarbonylContact C-O 3.57Å; T26-K133 WeakPolarHBondContact CA-O 3.37Å; T26-K133 HydrophobicContact CG2-CB 4.46Å; F27-K133 PolarHBondContact N-O 3.35Å; E131-K133 HydrophobicContact CG-CG 4.33Å; E131-K133 VanDerWaalsContact OE2-CE 3.31Å; E131-K133 WeakPolarHBondContact OE2-CE 3.44Å; E131-K133 IonicContact OE2-NZ 3.96Å
134Y95.2Very high87Confident34 Ų3471.7 Ų71.713%0.13340%0.395CS..EExtended strand (participates in β ladder)trans-125.6123.6179.2-59.4-81.2000108F27 F31 R57 I85 P89 P90 D93 V132F27-Y134 HydrophobicContact CB-CD1 4.11Å; F27-Y134 HydrophobicContact CB-CE1 4.34Å; F27-Y134 HydrophobicContact CD2-CE1 4.07Å; F27-Y134 WeakPolarHBondContact O-CA 3.5Å; F31-Y134 AromaticContact CE1-CD1 3.86Å; F31-Y134 HydrophobicContact CE1-CD1 3.86Å; F31-Y134 HydrophobicContact CZ-CD1 4.02Å; F31-Y134 HydrophobicContact CZ-CG 4.44Å; R57-Y134 PolarHBondContact NH1-OH 2.95Å; I85-Y134 HydrophobicContact CD1-CD1 4.02Å; I85-Y134 HydrophobicContact CD1-CE1 3.72Å; P89-Y134 VanDerWaalsContact CB-CB 3.46Å; P89-Y134 HydrophobicContact CB-CD1 3.92Å; P89-Y134 HydrophobicContact CB-CD2 3.85Å; P89-Y134 HydrophobicContact CB-CG 3.46Å; P89-Y134 VanDerWaalsContact CB-CG 3.46Å; P89-Y134 HydrophobicContact CG-CG 4.26Å; P90-Y134 HydrophobicContact CG-CE2 4.23Å; D93-Y134 HydrophobicContact CB-CE2 3.79Å; D93-Y134 PolarHBondContact OD2-OH 2.88Å; V132-Y134 HydrophobicContact CG1-CE1 4.25Å; V132-Y134 HydrophobicContact CG1-CE2 4.01Å
135E92.7Very high85.7Confident105 Ų10578.1 Ų78.149%0.49143%0.425SS..EExtended strand (participates in β ladder)trans-118.7143.3178-72.4179.5-178.200109.9T26 F27 T28 G29 F31T26-E135 HydrophobicContact CG2-CB 4.13Å; T26-E135 VanDerWaalsContact CG2-CD 3.47Å; T26-E135 HydrophobicContact CG2-CG 3.67Å; F27-E135 PolarHBondContact O-N 2.87Å; T28-E135 CarbonylContact C-O 3.5Å; T28-E135 VanDerWaalsContact CA-O 3.3Å; T28-E135 WeakPolarHBondContact CA-O 3.05Å; G29-E135 PolarHBondContact N-O 3.43Å; F31-E135 WeakPolarHBondContact CZ-O 3.49Å
136G85.3Confident83.8Confident59 Ų5980.2 Ų80.261%0.60845%0.448SS*.SBendtrans96.7174.5-177.600000113.9
137G73.9Confident81.6Confident55 Ų5585.3 Ų85.357%0.56748%0.48SS*.SBendtrans-66.2166.7-170.400000114.6F31F31-G137 WeakPolarHBondContact CD2-O 3.09Å
138A76.5Confident79.5Confident55 Ų5586.9 Ų86.946%0.45549%0.491SS..  trans-53.4149176.200000111.5N88N88-A138 WeakPolarHBondContact OD1-CB 3.38Å
139G78.2Confident77.3Confident10 Ų1094 Ų9410%0.10353%0.526CS..  trans-67.8177.9165.700000111.9I85 G87I85-G139 WeakPolarHBondContact O-CA 3.28Å; G87-G139 PolarHBondContact O-N 2.87Å
140P80.6Confident75Confident60 Ų60100.4 Ų100.439%0.3955%0.55SS.*PPolyproline II helixtrans-56.6147.3-178.724.2-33.2000110.9D32 T86 G87D32-P140 HydrophobicContact CB-CG 4.4Å; T86-P140 WeakPolarHBondContact CG2-O 3.47Å; G87-P140 PolarHBondContact N-O 2.83Å
141P77.7Confident72.6Confident105 Ų105104.9 Ų104.968%0.68259%0.588SS**PPolyproline II helixtrans-58.6152.4175.225.8-33.4000110K143P141-K143 PolarHBondContact O-N 2.75Å
142P75.6Confident70.2Confident94 Ų94109.9 Ų109.961%0.6161%0.608SS**PPolyproline II helixtrans-52.3133.1168.5-1728.1000108.8T86 E144T86-P142 HydrophobicContact CG2-CB 3.92Å; T86-P142 HydrophobicContact CG2-CG 3.79Å; T86-P142 VanDerWaalsContact CG2-N 3.33Å; P142-E144 PolarHBondContact O-N 3.3Å; P142-E144 VanDerWaalsContact O-N 3.12Å
143K76.3Confident67.7Low198 Ų198117.8 Ų117.886%0.86164%0.644SS**PPolyproline II helixtrans-61.6119.6167.2-68.1-173177.4-176.40106P141 E145P141-K143 PolarHBondContact O-N 2.75Å; K143-E145 PolarHBondContact O-N 2.88Å; K143-E145 VanDerWaalsContact O-N 3.08Å
144E67.2Low65.3Low189 Ų189122.3 Ų122.388%0.88367%0.667SS**PPolyproline II helixtrans-52.2119163.4-91.9177.5144.700106.4P142 A146P142-E144 PolarHBondContact O-N 3.3Å; P142-E144 VanDerWaalsContact O-N 3.12Å; E144-A146 VanDerWaalsContact C-N 3.3Å; E144-A146 PolarHBondContact O-N 2.9Å
145E56.5Low62.8Low187 Ų187129.5 Ų129.587%0.87470%0.699SS**  trans-60.9103.6166.6-69.9-172.7157.900105.3K143K143-E145 PolarHBondContact O-N 2.88Å; K143-E145 VanDerWaalsContact O-N 3.08Å
146A52.9Low60.3Low81 Ų81132.4 Ų132.467%0.66971%0.712SS**  trans-50.7136.2169.300000107.2E144 K148E144-A146 VanDerWaalsContact C-N 3.3Å; E144-A146 PolarHBondContact O-N 2.9Å; A146-K148 PolarHBondContact O-N 3.08Å
147P50Low58.4Low122 Ų122138.9 Ų138.979%0.79273%0.727SS**  trans-52.7123.7-172.6-20.129.5000108.5E149P147-E149 PolarHBondContact O-N 3.12Å
148K51.1Low56.9Low195 Ų195145.1 Ų145.185%0.84874%0.741SS**  trans-54.3111.3165.2-83178.3176173.80105.7A146 E150A146-K148 PolarHBondContact O-N 3.08Å; K148-E150 VanDerWaalsContact C-N 3.31Å; K148-E150 PolarHBondContact O-N 3.49Å
149E50.6Low55.1Low193 Ų193146.2 Ų146.290%0.90276%0.758SS**  trans-47.3100.4167.6-103.2176.314400107.5P147 A151P147-E149 PolarHBondContact O-N 3.12Å; E149-A151 VanDerWaalsContact C-N 3.3Å; E149-A151 PolarHBondContact O-N 3.4Å
150E47.1Very low53.1Low186 Ų186149.3 Ų149.387%0.86979%0.79SS**  trans-66.2104.1159.5-78.7-173.6149.800105K148 K152K148-E150 VanDerWaalsContact C-N 3.31Å; K148-E150 PolarHBondContact O-N 3.49Å; E150-K152 VanDerWaalsContact C-N 3.33Å; E150-K152 PolarHBondContact O-N 2.99Å
151A46.3Very low51.3Low95 Ų95156.1 Ų156.179%0.78582%0.816SS**  trans-45.397.5172.600000109.4E149 E153E149-A151 VanDerWaalsContact C-N 3.3Å; E149-A151 PolarHBondContact O-N 3.4Å; A151-E153 PolarHBondContact O-N 2.77Å
152K47.2Very low49.3Very low197 Ų197154.9 Ų154.986%0.85782%0.823SS**  trans-80.882.6165.6-157178.1-178.3-172.60106.5E150E150-K152 VanDerWaalsContact C-N 3.33Å; E150-K152 PolarHBondContact O-N 2.99Å
153E45Very low47.4Very low171 Ų171154.6 Ų154.680%0.79984%0.837SS**  trans-46.8154.2152.7-135.9172.7177.400109.6A151A151-E153 PolarHBondContact O-N 2.77Å
154E45.1Very low45.6Very low178 Ų178148.2 Ų148.283%0.83283%0.827SS**  trans95.2121-178.5-56.3179.4165.300114.6
155K43.2Very low44.4Very low185 Ų185147.2 Ų147.280%0.80482%0.823SS**  cis-171.1144-4.6-171.5170.2174.4-179.30105.2E157K155-E157 PolarHBondContact O-N 2.95Å
156E40.7Very low43.8Very low165 Ų165145.8 Ų145.877%0.77182%0.816SS**  trans-39.9126.7172.6-63.5157.4148.600113.4
157E45Very low43.3Very low196 Ų196150.1 Ų150.192%0.91682%0.822SS**  trans-117.696.5141.5-97.3-170.6156.400107K155 G159K155-E157 PolarHBondContact O-N 2.95Å; E157-G159 PolarHBondContact O-N 2.95Å; E157-G159 VanDerWaalsContact O-N 3.08Å
158E43.1Very low42.8Very low186 Ų186148.1 Ų148.187%0.86982%0.824SS**  trans-57.5101.8161.3-74.8-177.6127.800108.9
159G37.8Very low42.4Very low78 Ų78142 Ų14280%0.80482%0.816SS**  trans-106.276.5161.100000108.7E157E157-G159 PolarHBondContact O-N 2.95Å; E157-G159 VanDerWaalsContact O-N 3.08Å
160G36.4Very low42.2Very low74 Ų74141 Ų14176%0.76382%0.817SS**  trans-78.4125.1170.800000111.1
161E42.4Very low42.6Very low204 Ų204141.3 Ų141.395%0.95382%0.818SS**  trans-167.2124.5156.5-103.2179.9145.500103.7
162G35.8Very low43.1Very low79 Ų79149.7 Ų149.781%0.81484%0.841SS**  cis135.6126.424.400000107
163G35.3Very low42.8Very low88 Ų88147.3 Ų147.391%0.90784%0.84SS**  trans89.4132.8164.200000115.3
164G39.2Very low42.7Very low64 Ų64146.1 Ų146.166%0.6684%0.842SS**  cis-159.8140-0.700000105.8
165E41.9Very low42.6Very low168 Ų168144.3 Ų144.379%0.78584%0.843SS**  50.6102.798.2-77-179.3171.600112.3
166E43.3Very low42.6Very low156 Ų156141.9 Ų141.973%0.72985%0.845SS**  94.6142.2108.6-78.2-173.9172.400108.5
167E42.3Very low42.7Very low172 Ų172140.4 Ų140.480%0.80485%0.85SS**  cis-173.6165.120.7-130.1-178.8176.200106.4
168G40Very low42.5Very low81 Ų81136.7 Ų136.784%0.83585%0.846SS**  trans93.5128149.800000115.3
169G42.7Very low42.5Very low65 Ų65133.2 Ų133.267%0.6784%0.844SS**  cis177.3148.34.800000107.5E171G169-E171 PolarHBondContact O-N 2.8Å
170D46.9Very low42.8Very low174 Ų174137.5 Ų137.593%0.9385%0.847SS**  trans-49.7124164-74.3-95.8000110.4
171E54.3Low43.4Very low191 Ų191142.8 Ų142.889%0.89385%0.854SS**  trans-107.6135.4157.4-72.6-171.5147.500108G169G169-E171 PolarHBondContact O-N 2.8Å
172E56.6Low43.5Very low271 Ų271137.2 Ų137.2100%1.26685%0.845SS**  trans-54.70-166.9-59.3174.612700117.2

Retrieved 172 of 172 residues in 178.2 ms (Link to these results)

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