A0A077Z6Q7_TRITR Loading...

10 kDa heat shock protein, mitochondrial

AlphaFold DB , UniProt , Accession A0A077Z6Q7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 115 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
1M49.9Very low68.9Low152 Ų15296 Ų9675%0.74946%0.463SS*.  0119.50-87.8164.3151.800108.7T3 F22 T46M1-T3 PolarHBondContact O-N 3.26Å; M1-F22 HydrophobicContact CE-CE1 4.08Å; M1-T46 HydrophobicContact CE-CG2 4.42Å; M1-T46 WeakPolarHBondContact CE-OG1 3.45Å; M1-T46 HydrophobicContact SD-CG2 3.79Å
2Q49.3Very low71Confident197 Ų19788.3 Ų88.392%0.92143%0.426SS*.  trans-87.197.5177.8-65-167.393.300108.5T4Q2-T4 PolarHBondContact O-N 3.07Å
3T55.4Low72.7Confident37 Ų3789.2 Ų89.223%0.22743%0.434CS..  trans-65.9120.2172.9-50.50000110M1 V7 R8M1-T3 PolarHBondContact O-N 3.26Å; T3-V7 HydrophobicContact CG2-CB 3.63Å; T3-V7 HydrophobicContact CG2-CG1 3.35Å; T3-R8 HydrophobicContact CG2-CG 4.11Å; T3-R8 PolarHBondContact O-NE 2.81Å
4T64.7Low74.3Confident28 Ų2889.2 Ų89.217%0.17243%0.431CS..  trans-59.4151.2179.8-48.50000112.3Q2 A6 V7 R8 E86 V88Q2-T4 PolarHBondContact O-N 3.07Å; T4-A6 VanDerWaalsContact C-N 3.27Å; T4-A6 PolarHBondContact O-N 3.37Å; T4-V7 WeakPolarHBondContact O-CB 3.43Å; T4-V7 PolarHBondContact O-N 3.25Å; T4-V7 VanDerWaalsContact O-N 3.09Å; T4-R8 PolarHBondContact O-N 3.22Å; T4-R8 VanDerWaalsContact O-N 3.13Å; T4-E86 HydrophobicContact CG2-CB 4.2Å; T4-V88 HydrophobicContact CG2-CG2 3.6Å
5E61.8Low75.6Confident94 Ų9485.1 Ų85.144%0.43941%0.412SS..Hα-helixtrans-58.3-36.4-176.9-157.6-167.3147.200113.1R8 K9E5-R8 PolarHBondContact O-N 3.19Å; E5-K9 PolarHBondContact O-N 3.29Å; E5-K9 VanDerWaalsContact OE1-CE 3.29Å; E5-K9 WeakPolarHBondContact OE1-CE 3.3Å; E5-K9 IonicContact OE1-NZ 3.48Å; E5-K9 PolarHBondContact OE1-NZ 3.28Å
6A63.1Low76.9Confident30 Ų3086.9 Ų86.925%0.24841%0.413CS..Hα-helixtrans-62-43.317600000111.8T4 R8 K9 F10 M84T4-A6 VanDerWaalsContact C-N 3.27Å; T4-A6 PolarHBondContact O-N 3.37Å; A6-R8 VanDerWaalsContact C-N 3.3Å; A6-R8 PolarHBondContact O-N 2.8Å; A6-K9 PolarHBondContact O-N 3.36Å; A6-K9 VanDerWaalsContact O-N 3.15Å; A6-F10 PolarHBondContact O-N 3.17Å; A6-M84 HydrophobicContact CB-CB 4.46Å; A6-M84 HydrophobicContact CB-SD 4.39Å
7V72.2Confident77.9Confident2 Ų281.8 Ų81.81%0.01239%0.389CS..Hα-helixtrans-63.4-38.4176.4176.60000111.1T3 T4 K9 F10 L18 L48 M84 Y101T3-V7 HydrophobicContact CG2-CB 3.63Å; T3-V7 HydrophobicContact CG2-CG1 3.35Å; T4-V7 WeakPolarHBondContact O-CB 3.43Å; T4-V7 PolarHBondContact O-N 3.25Å; T4-V7 VanDerWaalsContact O-N 3.09Å; V7-K9 PolarHBondContact O-N 2.83Å; V7-F10 PolarHBondContact O-N 2.89Å; V7-F10 VanDerWaalsContact O-N 3.13Å; V7-L18 HydrophobicContact CG1-CD2 3.55Å; V7-L48 HydrophobicContact CG1-CB 3.88Å; V7-L48 HydrophobicContact CG1-CD1 4.06Å; V7-M84 HydrophobicContact CB-SD 4.33Å; V7-M84 HydrophobicContact CG2-CE 4.33Å; V7-M84 HydrophobicContact CG2-SD 3.74Å; V7-Y101 HydrophobicContact CG2-CD1 4.44Å; V7-Y101 HydrophobicContact CG2-CD2 4.37Å; V7-Y101 HydrophobicContact CG2-CE1 3.81Å; V7-Y101 HydrophobicContact CG2-CE2 3.71Å; V7-Y101 WeakPolarHBondContact CG2-OH 3.34Å
8R76.8Confident78.9Confident186 Ų18677.3 Ų77.370%0.70237%0.367SS*.Hα-helixtrans-64.4-27.4176.6-65.5-179.5-179-179.1-2.8113.4T3 T4 E5 A6T3-R8 HydrophobicContact CG2-CG 4.11Å; T3-R8 PolarHBondContact O-NE 2.81Å; T4-R8 PolarHBondContact O-N 3.22Å; T4-R8 VanDerWaalsContact O-N 3.13Å; E5-R8 PolarHBondContact O-N 3.19Å; A6-R8 VanDerWaalsContact C-N 3.3Å; A6-R8 PolarHBondContact O-N 2.8Å
9K84.7Confident79.7Confident155 Ų15573.2 Ų73.267%0.67435%0.348SS*.Hα-helixtrans-86.9-9.2177.1-68.5177.3-173.21660113E5 A6 V7E5-K9 PolarHBondContact O-N 3.29Å; E5-K9 VanDerWaalsContact OE1-CE 3.29Å; E5-K9 WeakPolarHBondContact OE1-CE 3.3Å; E5-K9 IonicContact OE1-NZ 3.48Å; E5-K9 PolarHBondContact OE1-NZ 3.28Å; A6-K9 PolarHBondContact O-N 3.36Å; A6-K9 VanDerWaalsContact O-N 3.15Å; V7-K9 PolarHBondContact O-N 2.83Å
10F88.8Confident80.3Confident72 Ų7272.4 Ų72.432%0.31634%0.344SS..  trans-92.5119.8177.6-174-93.8000110.4A6 V7 P12 L18 I82 M84 I103A6-F10 PolarHBondContact O-N 3.17Å; V7-F10 PolarHBondContact O-N 2.89Å; V7-F10 VanDerWaalsContact O-N 3.13Å; F10-P12 HydrophobicContact CD1-CG 4.18Å; F10-P12 HydrophobicContact CE1-CB 4.46Å; F10-P12 HydrophobicContact CE1-CG 3.95Å; F10-L18 HydrophobicContact CD1-CD2 3.94Å; F10-I82 HydrophobicContact CE1-CD1 4.44Å; F10-I82 HydrophobicContact CZ-CD1 4.42Å; F10-M84 HydrophobicContact CB-CE 3.56Å; F10-M84 HydrophobicContact CB-SD 4.27Å; F10-M84 HydrophobicContact CD1-CE 3.8Å; F10-M84 HydrophobicContact CD2-CE 4.05Å; F10-M84 HydrophobicContact CG-CE 3.51Å; F10-I103 HydrophobicContact CE1-CD1 3.81Å; F10-I103 HydrophobicContact CE1-CG1 4.42Å; F10-I103 HydrophobicContact CZ-CD1 3.49Å; F10-I103 VanDerWaalsContact CZ-CD1 3.49Å
11T91.3Very high80.8Confident103 Ų10371.4 Ų71.463%0.63234%0.337SS*.  trans-111.6110.8175.1-53.90000109.6
12P93.7Very high82.7Confident4 Ų467.2 Ų67.23%0.02631%0.314CS..  trans-58.6141.1170.4-21.232.3000110.8F10 R16 L18 A49 G51F10-P12 HydrophobicContact CD1-CG 4.18Å; F10-P12 HydrophobicContact CE1-CB 4.46Å; F10-P12 HydrophobicContact CE1-CG 3.95Å; P12-R16 HydrophobicContact CB-CB 3.82Å; P12-R16 WeakPolarHBondContact CB-O 3.4Å; P12-L18 HydrophobicContact CG-CB 3.93Å; P12-A49 HydrophobicContact CG-CB 3.83Å; P12-G51 WeakPolarHBondContact O-CA 3.38Å
13L94Very high84.3Confident100 Ų10062 Ų6252%0.52431%0.305SS..  trans-94.8147.9178.4-58.3-178.1000111D15 R16L13-D15 PolarHBondContact O-N 2.56Å; L13-R16 VanDerWaalsContact O-CB 3.22Å; L13-R16 WeakPolarHBondContact O-CB 3.47Å; L13-R16 WeakPolarHBondContact O-CD 3.5Å; L13-R16 WeakPolarHBondContact O-CG 3.31Å; L13-R16 PolarHBondContact O-N 2.74Å
14F94Very high85.6Confident89 Ų8962.6 Ų62.639%0.3931%0.31SS..THydrogen-bonded Turntrans56-126178.7-55.1-78.9000112.6R16 G51 S52 G53 R55F14-R16 VanDerWaalsContact C-N 3.27Å; F14-R16 PolarHBondContact O-N 2.93Å; F14-G51 CarbonylContact O-C 3.45Å; F14-G51 VanDerWaalsContact O-CA 3.24Å; F14-G51 WeakPolarHBondContact O-CA 3.49Å; F14-S52 PolarHBondContact O-N 3.13Å; F14-G53 CarbonylContact C-O 3.51Å; F14-G53 VanDerWaalsContact C-O 3.31Å; F14-G53 WeakPolarHBondContact CA-O 3.15Å; F14-G53 PolarHBondContact O-N 3.09Å; F14-R55 HydrophobicContact CD1-CG 4.46Å; F14-R55 HydrophobicContact CE1-CG 4.39Å
15D94.3Very high86.3Confident28 Ų2868.8 Ų68.815%0.1534%0.337CS..THydrogen-bonded Turntrans-90.618.5-179.266.9-28.7000114.4L13 S54 L64 R105 E106L13-D15 PolarHBondContact O-N 2.56Å; D15-S54 WeakPolarHBondContact CB-OG 3.41Å; D15-L64 HydrophobicContact CB-CD2 3.84Å; D15-R105 CarbonylContact O-C 3.52Å; D15-R105 WeakPolarHBondContact O-CA 3.48Å; D15-E106 HydrophobicContact CB-CB 4.39Å; D15-E106 PolarHBondContact O-N 3.37Å
16R95.8Very high87.4Confident114 Ų11468 Ų6843%0.4334%0.339SS..EExtended strand (participates in β ladder)trans-81.6143179-62.8172.9-169.7162.32.4110.6P12 L13 F14 G51 I103 F104P12-R16 HydrophobicContact CB-CB 3.82Å; P12-R16 WeakPolarHBondContact CB-O 3.4Å; L13-R16 VanDerWaalsContact O-CB 3.22Å; L13-R16 WeakPolarHBondContact O-CB 3.47Å; L13-R16 WeakPolarHBondContact O-CD 3.5Å; L13-R16 WeakPolarHBondContact O-CG 3.31Å; L13-R16 PolarHBondContact O-N 2.74Å; F14-R16 VanDerWaalsContact C-N 3.27Å; F14-R16 PolarHBondContact O-N 2.93Å; R16-G51 PolarHBondContact O-N 3.36Å; R16-I103 HydrophobicContact CB-CG2 3.85Å; R16-I103 HydrophobicContact CG-CG2 4.21Å; R16-F104 CarbonylContact C-O 3.57Å; R16-F104 VanDerWaalsContact CA-O 3.3Å; R16-F104 WeakPolarHBondContact CA-O 3.43Å
17L95.4Very high88.3Confident0 Ų072.7 Ų72.70%035%0.353CS..EExtended strand (participates in β ladder)trans-125.4126.8179-64.6172.1000108.2V19 V47 A50 L64 V66 I103 F104 E106 I109L17-V19 HydrophobicContact CB-CG1 4.29Å; L17-V47 HydrophobicContact CD2-CG1 4.18Å; L17-A50 HydrophobicContact CD2-CB 3.54Å; L17-L64 HydrophobicContact CD2-CD1 3.69Å; L17-L64 HydrophobicContact CG-CD1 4.42Å; L17-V66 HydrophobicContact CD1-CB 3.85Å; L17-V66 HydrophobicContact CD1-CG1 3.84Å; L17-V66 HydrophobicContact CD1-CG2 4.17Å; L17-V66 HydrophobicContact CD2-CB 4.35Å; L17-V66 HydrophobicContact CD2-CG1 4.25Å; L17-I103 CarbonylContact O-C 3.21Å; L17-I103 VanDerWaalsContact O-CA 3.26Å; L17-I103 WeakPolarHBondContact O-CA 3.28Å; L17-F104 PolarHBondContact N-O 3.49Å; L17-F104 PolarHBondContact O-N 3.04Å; L17-E106 HydrophobicContact CD1-CB 4.13Å; L17-I109 HydrophobicContact CD1-CD1 4.46Å; L17-I109 HydrophobicContact CD1-CG1 3.76Å
18L94.8Very high88.8Confident0 Ų075.2 Ų75.20%037%0.369CS..EExtended strand (participates in β ladder)trans-88.4124.7168.2-179.969000108.6V7 F10 P12 L48 A49 I82 M84 Y101 Y102 I103V7-L18 HydrophobicContact CG1-CD2 3.55Å; F10-L18 HydrophobicContact CD1-CD2 3.94Å; P12-L18 HydrophobicContact CG-CB 3.93Å; L18-L48 HydrophobicContact CD2-CB 4.33Å; L18-L48 HydrophobicContact CG-CB 4.44Å; L18-L48 PolarHBondContact O-N 2.66Å; L18-A49 HydrophobicContact CB-CB 3.95Å; L18-A49 HydrophobicContact CD2-CB 4.2Å; L18-A49 PolarHBondContact N-O 3.25Å; L18-A49 PolarHBondContact O-N 2.7Å; L18-I82 HydrophobicContact CD1-CD1 3.35Å; L18-I82 HydrophobicContact CD1-CG1 4.1Å; L18-M84 HydrophobicContact CD1-CE 4Å; L18-M84 HydrophobicContact CD2-CE 3.49Å; L18-M84 VanDerWaalsContact CD2-CE 3.49Å; L18-M84 HydrophobicContact CG-CE 4.41Å; L18-Y101 HydrophobicContact CD1-CG 4.41Å; L18-Y102 WeakPolarHBondContact CA-O 3.48Å; L18-I103 HydrophobicContact CD1-CG1 4.04Å
19V94.6Very high89Confident0 Ų077 Ų770%038%0.382CS..EExtended strand (participates in β ladder)trans-129.2149.9-177.6-51.90000111.1L17 A45 T46 V47 V72 L74 Y102 F104L17-V19 HydrophobicContact CB-CG1 4.29Å; V19-A45 HydrophobicContact CB-CB 3.85Å; V19-A45 HydrophobicContact CG2-CB 3.94Å; V19-T46 CarbonylContact C-O 3.54Å; V19-T46 VanDerWaalsContact CA-O 3.27Å; V19-T46 WeakPolarHBondContact CA-O 3.49Å; V19-V47 HydrophobicContact CG1-CG2 4.1Å; V19-V72 HydrophobicContact CG1-CG2 4.21Å; V19-L74 HydrophobicContact CG2-CD1 4.13Å; V19-L74 HydrophobicContact CG2-CD2 4Å; V19-Y102 WeakPolarHBondContact CG2-O 3.14Å; V19-Y102 PolarHBondContact N-O 3.41Å; V19-Y102 PolarHBondContact O-N 3.14Å; V19-F104 HydrophobicContact CG2-CD2 3.7Å; V19-F104 HydrophobicContact CG2-CE2 3.9Å
20E91.8Very high89.1Confident56 Ų5672.8 Ų72.826%0.26238%0.383SS..EExtended strand (participates in β ladder)trans-112.8124169.7175.6-179-170.600108.3A45 T46 L48 Y101E20-A45 CarbonylContact O-C 3.59Å; E20-A45 WeakPolarHBondContact O-CA 3.45Å; E20-A45 WeakPolarHBondContact O-CB 3.27Å; E20-T46 PolarHBondContact N-O 2.87Å; E20-T46 PolarHBondContact O-N 3.37Å; E20-L48 HydrophobicContact CB-CD1 3.65Å; E20-L48 HydrophobicContact CB-CD2 4.49Å; E20-L48 HydrophobicContact CB-CG 4.02Å; E20-Y101 HydrophobicContact CB-CD1 4.11Å; E20-Y101 HydrophobicContact CB-CE1 4.31Å; E20-Y101 HydrophobicContact CG-CE1 4.49Å
21R90.9Very high88.9Confident53 Ų5371.8 Ų71.820%0.239%0.392CS..EExtended strand (participates in β ladder)trans-69.4145.9177.2-73.4179.5175.4164.92.2110.1V42 E44 A45 L74 Y102R21-V42 HydrophobicContact CB-CB 4.47Å; R21-V42 VanDerWaalsContact CD-O 3.31Å; R21-V42 WeakPolarHBondContact CD-O 3.18Å; R21-V42 PolarHBondContact NE-O 3.28Å; R21-E44 WeakPolarHBondContact CA-O 3.45Å; R21-A45 HydrophobicContact CG-CB 4.39Å; R21-L74 HydrophobicContact CG-CD1 3.82Å; R21-Y102 HydrophobicContact CG-CD2 4.21Å; R21-Y102 HydrophobicContact CG-CE2 4.38Å; R21-Y102 PolarHBondContact NH1-OH 2.86Å
22F88.6Confident88.7Confident63 Ų6372.5 Ų72.528%0.27639%0.391SS..PPolyproline II helixtrans-66.1160.8170.4-68.1-85.9000111M1 V42 E44 A45 T46 R71M1-F22 HydrophobicContact CE-CE1 4.08Å; F22-V42 HydrophobicContact CB-CG1 3.95Å; F22-V42 WeakPolarHBondContact O-CB 3.15Å; F22-V42 WeakPolarHBondContact O-CG1 3.37Å; F22-V42 WeakPolarHBondContact O-CG2 3.49Å; F22-E44 VanDerWaalsContact CD2-C 3.41Å; F22-E44 HydrophobicContact CD2-CB 3.51Å; F22-E44 WeakPolarHBondContact CD2-O 3.2Å; F22-E44 HydrophobicContact CE2-CB 3.98Å; F22-E44 PolarHBondContact N-O 3.28Å; F22-A45 VanDerWaalsContact CE2-C 3.45Å; F22-T46 WeakPolarHBondContact CZ-OG1 3.29Å; F22-R71 HydrophobicContact CE2-CG 3.81Å; F22-R71 HydrophobicContact CZ-CG 3.97Å
23A83.5Confident88.4Confident89 Ų8979.2 Ų79.274%0.73642%0.424SS*.PPolyproline II helixtrans-63.9141172.400000110.5
24P82.3Confident87.9Confident49 Ų4976.2 Ų76.232%0.31841%0.408SS..PPolyproline II helixtrans-63.5148.1176.325.6-33.6000111.9T26 Q39 V42P24-T26 PolarHBondContact O-N 2.88Å; P24-Q39 HydrophobicContact CB-CB 3.97Å; P24-Q39 HydrophobicContact CB-CG 4.3Å; P24-V42 VanDerWaalsContact CA-CG2 3.41Å; P24-V42 HydrophobicContact CB-CG2 3.75Å
25E80.7Confident87.4Confident157 Ų15776.1 Ų76.173%0.73442%0.416SS*.PPolyproline II helixtrans-63.2119.8172.2-68.2-165.9137.100109.7
26T83.5Confident86.8Confident79 Ų7982.8 Ų82.849%0.48545%0.446SS..  trans-86.4-12-179.755.30000113.1P24 M33 I34P24-T26 PolarHBondContact O-N 2.88Å; T26-M33 WeakPolarHBondContact O-CA 3.48Å; T26-I34 PolarHBondContact O-N 2.81Å
27K83.2Confident86Confident127 Ų12787.6 Ų87.655%0.55247%0.471SS*.BIsolated β-bridgetrans-136138.2-177.3-64.3-177.6-177.8179.80110.6I32K27-I32 WeakPolarHBondContact CA-O 3.26Å
28T81.7Confident85.4Confident56 Ų5690.8 Ų90.834%0.34450%0.497SS..  trans-70.8166.9168.866.20000110.8G30 G31 I32 I34T28-G30 PolarHBondContact O-N 2.78Å; T28-G30 PolarHBondContact OG1-N 3.09Å; T28-G31 PolarHBondContact O-N 2.84Å; T28-I32 PolarHBondContact N-O 2.82Å; T28-I32 PolarHBondContact OG1-N 3.09Å; T28-I34 HydrophobicContact CG2-CD1 3.71Å; T28-I34 HydrophobicContact CG2-CG1 3.53Å
29K81.6Confident84.6Confident222 Ų22292.9 Ų92.997%0.96551%0.507SS*.THydrogen-bonded Turntrans-53.5-25172-65.4-176.1180179.70113.8G31K29-G31 VanDerWaalsContact C-N 3.35Å
30G86.2Confident83.8Confident68 Ų6895.8 Ų95.870%0.70154%0.536SS*.THydrogen-bonded Turntrans-86.52.7176.600000114.8T28 I32T28-G30 PolarHBondContact O-N 2.78Å; T28-G30 PolarHBondContact OG1-N 3.09Å; G30-I32 VanDerWaalsContact C-N 3.33Å; G30-I32 PolarHBondContact O-N 3.45Å
31G85.3Confident83.3Confident50 Ų5099.1 Ų99.152%0.51555%0.55SS.*SBendtrans81.93.9-179.100000115.2T28 K29T28-G31 PolarHBondContact O-N 2.84Å; K29-G31 VanDerWaalsContact C-N 3.35Å
32I87.3Confident83.2Confident119 Ų11998 Ų9861%0.6155%0.549SS*.PPolyproline II helixtrans-74.6129.5177.3-57.2173000109K27 T28 G30 I34K27-I32 WeakPolarHBondContact CA-O 3.26Å; T28-I32 PolarHBondContact N-O 2.82Å; T28-I32 PolarHBondContact OG1-N 3.09Å; G30-I32 VanDerWaalsContact C-N 3.33Å; G30-I32 PolarHBondContact O-N 3.45Å; I32-I34 PolarHBondContact O-N 3.2Å
33M86.1Confident83.4Confident145 Ų14597.3 Ų97.371%0.71455%0.548SS*.BIsolated β-bridgetrans-64.9125.7173-77.3-171.871.100110.7T26T26-M33 WeakPolarHBondContact O-CA 3.48Å
34I83.3Confident83.9Confident37 Ų3795.6 Ų95.619%0.1953%0.525CS..PPolyproline II helixtrans-85.4119.2176.1-55175.8000107.2T26 T28 I32 A38 Q39T26-I34 PolarHBondContact O-N 2.81Å; T28-I34 HydrophobicContact CG2-CD1 3.71Å; T28-I34 HydrophobicContact CG2-CG1 3.53Å; I32-I34 PolarHBondContact O-N 3.2Å; I34-A38 HydrophobicContact CG2-CB 4.12Å; I34-Q39 HydrophobicContact CB-CG 4.17Å; I34-Q39 HydrophobicContact CG2-CG 3.73Å; I34-Q39 PolarHBondContact O-NE2 3.03Å
35P85.1Confident84.5Confident86 Ų8693.3 Ų93.356%0.55851%0.51SS*.PPolyproline II helixtrans-61.3142.8176.924-29.9000109.7K37 A38 Q39P35-K37 PolarHBondContact O-N 3.44Å; P35-K37 VanDerWaalsContact O-N 3.07Å; P35-A38 HydrophobicContact CG-CB 3.78Å; P35-A38 WeakPolarHBondContact O-CA 3.43Å; P35-A38 PolarHBondContact O-N 3.22Å; P35-Q39 PolarHBondContact O-N 2.84Å
36E80.1Confident85.1Confident168 Ų16886.3 Ų86.379%0.78548%0.478SS*.G310 helixtrans-52-37.1-176.2-65.2177.7168.800112.8A38 Q39E36-A38 PolarHBondContact O-N 3.22Å; E36-Q39 PolarHBondContact O-N 2.86Å
37K80Confident85.7Confident216 Ų21682.6 Ų82.694%0.93946%0.455SS*.G310 helixtrans-65.4-21.7176.9-64.3-176.3179.3-179.90114.4P35P35-K37 PolarHBondContact O-N 3.44Å; P35-K37 VanDerWaalsContact O-N 3.07Å
38A81.6Confident86.1Confident67 Ų6777.2 Ų77.255%0.55443%0.432SS*.G310 helixtrans-103.5-4179.500000112.9I34 P35 E36 G40I34-A38 HydrophobicContact CG2-CB 4.12Å; P35-A38 HydrophobicContact CG-CB 3.78Å; P35-A38 WeakPolarHBondContact O-CA 3.43Å; P35-A38 PolarHBondContact O-N 3.22Å; E36-A38 PolarHBondContact O-N 3.22Å; A38-G40 PolarHBondContact O-N 2.78Å
39Q78.3Confident86.7Confident44 Ų4475.2 Ų75.221%0.20642%0.421CS..PPolyproline II helixtrans-68120.9172.8-69173.5200108.4P24 I34 P35 E36P24-Q39 HydrophobicContact CB-CB 3.97Å; P24-Q39 HydrophobicContact CB-CG 4.3Å; I34-Q39 HydrophobicContact CB-CG 4.17Å; I34-Q39 HydrophobicContact CG2-CG 3.73Å; I34-Q39 PolarHBondContact O-NE2 3.03Å; P35-Q39 PolarHBondContact O-N 2.84Å; E36-Q39 PolarHBondContact O-N 2.86Å
40G78Confident87.3Confident60 Ų6066 Ų6662%0.61939%0.387SS*.PPolyproline II helixtrans-64.9164.6177.500000111.9A38 V42A38-G40 PolarHBondContact O-N 2.78Å; G40-V42 PolarHBondContact O-N 3.26Å
41K82.9Confident87.6Confident127 Ų12763.3 Ų63.355%0.55236%0.359SS*.PPolyproline II helixtrans-60.4127.8170.2-69178.6-177.9171.70109L43 E76K41-L43 HydrophobicContact CB-CD2 4.34Å; K41-L43 PolarHBondContact O-N 2.83Å; K41-E76 PolarHBondContact NZ-O 2.91Å
42V88.5Confident88Confident28 Ų2864.6 Ų64.617%0.1736%0.36CS..  trans-72.8114.7172.5-172.90000108.5R21 F22 P24 G40 E44R21-V42 HydrophobicContact CB-CB 4.47Å; R21-V42 VanDerWaalsContact CD-O 3.31Å; R21-V42 WeakPolarHBondContact CD-O 3.18Å; R21-V42 PolarHBondContact NE-O 3.28Å; F22-V42 HydrophobicContact CB-CG1 3.95Å; F22-V42 WeakPolarHBondContact O-CB 3.15Å; F22-V42 WeakPolarHBondContact O-CG1 3.37Å; F22-V42 WeakPolarHBondContact O-CG2 3.49Å; P24-V42 VanDerWaalsContact CA-CG2 3.41Å; P24-V42 HydrophobicContact CB-CG2 3.75Å; G40-V42 PolarHBondContact O-N 3.26Å; V42-E44 VanDerWaalsContact C-N 3.34Å; V42-E44 HydrophobicContact CG1-CB 4.35Å; V42-E44 WeakPolarHBondContact CG1-O 3.29Å
43L93.1Very high88.3Confident49 Ų4958.9 Ų58.926%0.25733%0.331SS..  trans-88.6-7.4179.2-57-175.4000112.1K41 L73 L74 E76K41-L43 HydrophobicContact CB-CD2 4.34Å; K41-L43 PolarHBondContact O-N 2.83Å; L43-L73 HydrophobicContact CB-CD1 3.91Å; L43-L74 WeakPolarHBondContact O-CA 3.31Å; L43-L74 VanDerWaalsContact O-CB 3.29Å; L43-L74 WeakPolarHBondContact O-CB 3.48Å; L43-L74 WeakPolarHBondContact O-CG 3.15Å; L43-L74 PolarHBondContact O-N 2.86Å; L43-E76 HydrophobicContact CD1-CG 3.97Å; L43-E76 HydrophobicContact CD2-CG 4.46Å
44E93.7Very high88.5Confident54 Ų5454 Ų5425%0.25231%0.311SS..EExtended strand (participates in β ladder)trans-92.1142.2174.6-55.7-169.3125.900109.9R21 F22 V42 R71 W113R21-E44 WeakPolarHBondContact CA-O 3.45Å; F22-E44 VanDerWaalsContact CD2-C 3.41Å; F22-E44 HydrophobicContact CD2-CB 3.51Å; F22-E44 WeakPolarHBondContact CD2-O 3.2Å; F22-E44 HydrophobicContact CE2-CB 3.98Å; F22-E44 PolarHBondContact N-O 3.28Å; V42-E44 VanDerWaalsContact C-N 3.34Å; V42-E44 HydrophobicContact CG1-CB 4.35Å; V42-E44 WeakPolarHBondContact CG1-O 3.29Å; E44-R71 IonicContact OE1-CZ 3.53Å; E44-R71 IonicContact OE1-NE 3.85Å; E44-R71 PolarHBondContact OE1-NE 2.87Å; E44-R71 IonicContact OE1-NH2 2.66Å; E44-R71 PolarHBondContact OE1-NH2 2.84Å; E44-R71 IonicContact OE2-CZ 2.7Å; E44-R71 IonicContact OE2-NE 2.68Å; E44-R71 IonicContact OE2-NH2 3.46Å; E44-R71 PolarHBondContact OE2-NH2 2.93Å; E44-W113 HydrophobicContact CG-CH2 3.74Å; E44-W113 HydrophobicContact CG-CZ2 4.46Å; E44-W113 HydrophobicContact CG-CZ3 4.3Å; E44-W113 WeakPolarHBondContact OE1-CH2 3.32Å; E44-W113 WeakPolarHBondContact OE1-CZ2 3.47Å
45A94.7Very high88.8Confident0 Ų060.2 Ų60.20%033%0.332CS..EExtended strand (participates in β ladder)trans-148.5160.2175.300000112.4V19 E20 R21 F22 R71 V72 L74V19-A45 HydrophobicContact CB-CB 3.85Å; V19-A45 HydrophobicContact CG2-CB 3.94Å; E20-A45 CarbonylContact O-C 3.59Å; E20-A45 WeakPolarHBondContact O-CA 3.45Å; E20-A45 WeakPolarHBondContact O-CB 3.27Å; R21-A45 HydrophobicContact CG-CB 4.39Å; F22-A45 VanDerWaalsContact CE2-C 3.45Å; A45-R71 WeakPolarHBondContact O-CA 3.37Å; A45-V72 HydrophobicContact CB-CG2 4.29Å; A45-V72 PolarHBondContact N-O 3.06Å; A45-V72 PolarHBondContact O-N 2.94Å; A45-L74 HydrophobicContact CB-CD1 3.64Å; A45-L74 HydrophobicContact CB-CD2 4.14Å; A45-L74 HydrophobicContact CB-CG 3.9Å
46T93.8Very high89.1Confident11 Ų1158.4 Ų58.47%0.06732%0.319CS..EExtended strand (participates in β ladder)trans-103.2136.3169.4-62.80000109.8M1 V19 E20 F22 L48M1-T46 HydrophobicContact CE-CG2 4.42Å; M1-T46 WeakPolarHBondContact CE-OG1 3.45Å; M1-T46 HydrophobicContact SD-CG2 3.79Å; V19-T46 CarbonylContact C-O 3.54Å; V19-T46 VanDerWaalsContact CA-O 3.27Å; V19-T46 WeakPolarHBondContact CA-O 3.49Å; E20-T46 PolarHBondContact N-O 2.87Å; E20-T46 PolarHBondContact O-N 3.37Å; F22-T46 WeakPolarHBondContact CZ-OG1 3.29Å; T46-L48 PolarHBondContact O-N 3.46Å
47V94.4Very high89.5Confident1 Ų160.4 Ų60.41%0.00633%0.328CS..EExtended strand (participates in β ladder)trans-77.5119176.9-178.50000109.5L17 V19 A50 V66 K67 G69 D70 V72L17-V47 HydrophobicContact CD2-CG1 4.18Å; V19-V47 HydrophobicContact CG1-CG2 4.1Å; V47-A50 HydrophobicContact CG1-CB 4.45Å; V47-V66 HydrophobicContact CB-CG1 4.38Å; V47-V66 HydrophobicContact CG1-CG1 4.37Å; V47-V66 HydrophobicContact CG2-CG1 3.45Å; V47-V66 VanDerWaalsContact CG2-CG1 3.45Å; V47-K67 WeakPolarHBondContact CB-O 3.45Å; V47-G69 PolarHBondContact O-N 2.71Å; V47-D70 HydrophobicContact CG2-CB 4.43Å; V47-D70 WeakPolarHBondContact CG2-O 3.46Å; V47-D70 PolarHBondContact N-O 2.97Å; V47-V72 HydrophobicContact CG2-CB 4.47Å; V47-V72 HydrophobicContact CG2-CG1 3.68Å; V47-V72 HydrophobicContact CG2-CG2 3.92Å
48L92.9Very high90.1Very high14 Ų1457.1 Ų57.17%0.07332%0.317CS..EExtended strand (participates in β ladder)trans-96.8-32.4179.8-62.6-174.1000113V7 L18 E20 T46 V68 Y101V7-L48 HydrophobicContact CG1-CB 3.88Å; V7-L48 HydrophobicContact CG1-CD1 4.06Å; L18-L48 HydrophobicContact CD2-CB 4.33Å; L18-L48 HydrophobicContact CG-CB 4.44Å; L18-L48 PolarHBondContact O-N 2.66Å; E20-L48 HydrophobicContact CB-CD1 3.65Å; E20-L48 HydrophobicContact CB-CD2 4.49Å; E20-L48 HydrophobicContact CB-CG 4.02Å; T46-L48 PolarHBondContact O-N 3.46Å; L48-V68 WeakPolarHBondContact O-CG1 3.3Å; L48-Y101 HydrophobicContact CD1-CD1 3.58Å; L48-Y101 HydrophobicContact CD1-CE1 3.36Å
49A92.9Very high90.4Very high13 Ų1356.3 Ų56.311%0.10732%0.315CS..EExtended strand (participates in β ladder)trans-147.2144.1173.900000109.7P12 L18P12-A49 HydrophobicContact CG-CB 3.83Å; L18-A49 HydrophobicContact CB-CB 3.95Å; L18-A49 HydrophobicContact CD2-CB 4.2Å; L18-A49 PolarHBondContact N-O 3.25Å; L18-A49 PolarHBondContact O-N 2.7Å
50A94.1Very high91Very high30 Ų3060.5 Ų60.525%0.24833%0.332CS..EExtended strand (participates in β ladder)trans-123.9140.3178.500000109.7L17 V47 L64 V68L17-A50 HydrophobicContact CD2-CB 3.54Å; V47-A50 HydrophobicContact CG1-CB 4.45Å; A50-L64 HydrophobicContact CB-CD1 4.24Å; A50-V68 HydrophobicContact CB-CG2 4.09Å
51G93.9Very high91.6Very high11 Ų1161.2 Ų61.211%0.11332%0.324CS..  trans-73175.717300000112.6P12 F14 R16 G53 L64P12-G51 WeakPolarHBondContact O-CA 3.38Å; F14-G51 CarbonylContact O-C 3.45Å; F14-G51 VanDerWaalsContact O-CA 3.24Å; F14-G51 WeakPolarHBondContact O-CA 3.49Å; R16-G51 PolarHBondContact O-N 3.36Å; G51-G53 PolarHBondContact O-N 3.22Å; G51-L64 VanDerWaalsContact O-CD1 3.26Å; G51-L64 WeakPolarHBondContact O-CD1 3.47Å
52S92.7Very high92.1Very high76 Ų7659.5 Ų59.553%0.53132%0.321SS..  trans-69.7-17.2-176.857.80000114.3F14 T61F14-S52 PolarHBondContact O-N 3.13Å; S52-T61 WeakPolarHBondContact O-CG2 3Å
53G93.9Very high92.3Very high0 Ų062.8 Ų62.80%034%0.342CS..  trans109168.2-168.300000114.5F14 G51 I62F14-G53 CarbonylContact C-O 3.51Å; F14-G53 VanDerWaalsContact C-O 3.31Å; F14-G53 WeakPolarHBondContact CA-O 3.15Å; F14-G53 PolarHBondContact O-N 3.09Å; G51-G53 PolarHBondContact O-N 3.22Å; G53-I62 CarbonylContact C-O 3.52Å; G53-I62 WeakPolarHBondContact CA-O 3.09Å
54S91.4Very high92.3Very high42 Ų4261.5 Ų61.529%0.29434%0.336SS..EExtended strand (participates in β ladder)trans-72.5160176.1-76.90000111.8D15 T61 I62D15-S54 WeakPolarHBondContact CB-OG 3.41Å; S54-T61 CarbonylContact O-C 3.54Å; S54-T61 WeakPolarHBondContact O-CA 3.08Å; S54-I62 PolarHBondContact N-O 3.31Å; S54-I62 VanDerWaalsContact N-O 3.14Å; S54-I62 PolarHBondContact O-N 3.28Å
55R89.7Confident92.2Very high167 Ų16763.8 Ų63.863%0.6335%0.353SS*.EExtended strand (participates in β ladder)trans-108.6138.6173.7-65.7-173.8-178.2-172.4-1110.7F14 K60F14-R55 HydrophobicContact CD1-CG 4.46Å; F14-R55 HydrophobicContact CE1-CG 4.39Å; R55-K60 CarbonylContact C-O 3.59Å; R55-K60 WeakPolarHBondContact CA-O 3.36Å
56T89.8Confident92.2Very high49 Ų4964.2 Ų64.230%0.30136%0.356SS..  trans-75.1167.5167.565.70000110.4E58 G59 K60 I62T56-E58 PolarHBondContact O-N 3.22Å; T56-E58 PolarHBondContact OG1-N 3.39Å; T56-G59 PolarHBondContact O-N 3.13Å; T56-K60 HydrophobicContact CG2-CB 4.41Å; T56-K60 PolarHBondContact N-O 3.42Å; T56-K60 WeakPolarHBondContact OG1-CB 3.22Å; T56-K60 PolarHBondContact OG1-N 3.31Å; T56-K60 VanDerWaalsContact OG1-N 3.1Å; T56-K60 PolarHBondContact OG1-O 2.83Å; T56-I62 HydrophobicContact CG2-CD1 3.82Å; T56-I62 HydrophobicContact CG2-CG1 3.82Å
57E89.3Confident92.2Very high209 Ų20970.4 Ų70.498%0.97738%0.382SS*.THydrogen-bonded Turntrans-59.9-29.3172.8-61.8-171.313700112.4G59E57-G59 PolarHBondContact O-N 3.15Å
58E92.2Very high92.1Very high148 Ų14874.5 Ų74.569%0.69241%0.407SS*.THydrogen-bonded Turntrans-74.8-4.3174.4-58.5-179.8177.700113.5T56 K60T56-E58 PolarHBondContact O-N 3.22Å; T56-E58 PolarHBondContact OG1-N 3.39Å; E58-K60 WeakPolarHBondContact OE2-CE 3.47Å; E58-K60 IonicContact OE2-NZ 2.71Å; E58-K60 PolarHBondContact OE2-NZ 3.26Å
59G88.8Confident92.1Very high50 Ų5076.3 Ų76.352%0.51543%0.429SS..SBendtrans81.29.2-177.300000114.9T56 E57T56-G59 PolarHBondContact O-N 3.13Å; E57-G59 PolarHBondContact O-N 3.15Å
60K91.7Very high92.2Very high132 Ų13277.4 Ų77.457%0.57443%0.433SS*.  trans-77.6142.4173.6-65.4173-180153.60110.2R55 T56 E58R55-K60 CarbonylContact C-O 3.59Å; R55-K60 WeakPolarHBondContact CA-O 3.36Å; T56-K60 HydrophobicContact CG2-CB 4.41Å; T56-K60 PolarHBondContact N-O 3.42Å; T56-K60 WeakPolarHBondContact OG1-CB 3.22Å; T56-K60 PolarHBondContact OG1-N 3.31Å; T56-K60 VanDerWaalsContact OG1-N 3.1Å; T56-K60 PolarHBondContact OG1-O 2.83Å; E58-K60 WeakPolarHBondContact OE2-CE 3.47Å; E58-K60 IonicContact OE2-NZ 2.71Å; E58-K60 PolarHBondContact OE2-NZ 3.26Å
61T90.5Very high92.3Very high74 Ų7480.6 Ų80.645%0.45444%0.438SS..EExtended strand (participates in β ladder)trans-86.2125.9176-53.20000110.5S52 S54S52-T61 WeakPolarHBondContact O-CG2 3Å; S54-T61 CarbonylContact O-C 3.54Å; S54-T61 WeakPolarHBondContact O-CA 3.08Å
62I91.6Very high92.4Very high92 Ų9280.1 Ų80.147%0.47243%0.433SS..EExtended strand (participates in β ladder)trans-87.7110.8167-57.9173000106.8G53 S54 T56G53-I62 CarbonylContact C-O 3.52Å; G53-I62 WeakPolarHBondContact CA-O 3.09Å; S54-I62 PolarHBondContact N-O 3.31Å; S54-I62 VanDerWaalsContact N-O 3.14Å; S54-I62 PolarHBondContact O-N 3.28Å; T56-I62 HydrophobicContact CG2-CD1 3.82Å; T56-I62 HydrophobicContact CG2-CG1 3.82Å
63P92.9Very high92.6Very high96 Ų9679.2 Ų79.262%0.62342%0.422SS*.  trans-65.6152.5-178.729.1-35.3000111.4
64L93.1Very high92.7Very high23 Ų2379.2 Ų79.212%0.1242%0.422CS..  trans-70.4140.7173.8-59.4-178.3000111.4D15 L17 A50 G51 V66 E106D15-L64 HydrophobicContact CB-CD2 3.84Å; L17-L64 HydrophobicContact CD2-CD1 3.69Å; L17-L64 HydrophobicContact CG-CD1 4.42Å; A50-L64 HydrophobicContact CB-CD1 4.24Å; G51-L64 VanDerWaalsContact O-CD1 3.26Å; G51-L64 WeakPolarHBondContact O-CD1 3.47Å; L64-V66 VanDerWaalsContact C-N 3.35Å; L64-E106 VanDerWaalsContact CA-OE1 3.27Å; L64-E106 WeakPolarHBondContact CA-OE1 3.17Å; L64-E106 VanDerWaalsContact CB-OE1 3.28Å; L64-E106 WeakPolarHBondContact CB-OE1 3.36Å; L64-E106 HydrophobicContact CD2-CB 3.82Å; L64-E106 HydrophobicContact CD2-CG 4.2Å; L64-E106 WeakPolarHBondContact CD2-OE2 3.19Å
65T92.9Very high92.9Very high101 Ų10178.3 Ų78.362%0.6242%0.415SS*.SBendtrans-74.3-30.9169.8-560000110.9E106 K112T65-E106 WeakPolarHBondContact CA-OE1 3.36Å; T65-E106 PolarHBondContact N-OE1 3.31Å; T65-K112 PolarHBondContact O-NZ 3.26Å
66V94.3Very high93Very high10 Ų1076.1 Ų76.16%0.06141%0.412CS..  trans-87.5134.8177.7-179.60000110.7L17 V47 L64 D70 V72 E106L17-V66 HydrophobicContact CD1-CB 3.85Å; L17-V66 HydrophobicContact CD1-CG1 3.84Å; L17-V66 HydrophobicContact CD1-CG2 4.17Å; L17-V66 HydrophobicContact CD2-CB 4.35Å; L17-V66 HydrophobicContact CD2-CG1 4.25Å; V47-V66 HydrophobicContact CB-CG1 4.38Å; V47-V66 HydrophobicContact CG1-CG1 4.37Å; V47-V66 HydrophobicContact CG2-CG1 3.45Å; V47-V66 VanDerWaalsContact CG2-CG1 3.45Å; L64-V66 VanDerWaalsContact C-N 3.35Å; V66-D70 HydrophobicContact CG1-CB 4.18Å; V66-V72 HydrophobicContact CG1-CG1 3.74Å; V66-V72 HydrophobicContact CG2-CG1 4.37Å; V66-E106 HydrophobicContact CG2-CG 4.43Å; V66-E106 PolarHBondContact N-OE1 2.94Å
67K93.2Very high93Very high140 Ų14082.1 Ų82.161%0.60943%0.43SS*.  trans-116.2161.5179.9-63179.4-176.6176.80111.9V47 G69 D70V47-K67 WeakPolarHBondContact CB-O 3.45Å; K67-G69 PolarHBondContact O-N 3.43Å; K67-D70 PolarHBondContact N-OD2 2.81Å; K67-D70 VanDerWaalsContact O-CB 3.27Å; K67-D70 WeakPolarHBondContact O-CB 3.46Å; K67-D70 PolarHBondContact O-N 2.99Å; K67-D70 VanDerWaalsContact O-N 3.07Å
68V93Very high93.1Very high88 Ų8874.7 Ų74.753%0.53341%0.41SS..THydrogen-bonded Turntrans-59.6131.2170.31790000109.5L48 A50L48-V68 WeakPolarHBondContact O-CG1 3.3Å; A50-V68 HydrophobicContact CB-CG2 4.09Å
69G92.7Very high93Very high51 Ų5169.1 Ų69.153%0.52639%0.393SS..THydrogen-bonded Turntrans94.8-18.1-17400000114.2V47 K67V47-G69 PolarHBondContact O-N 2.71Å; K67-G69 PolarHBondContact O-N 3.43Å
70D94.9Very high93.3Very high36 Ų3671.2 Ų71.219%0.19340%0.395CS..  trans-63.8140.1178.2-72-0.8000110.4V47 V66 K67 V72 K112V47-D70 HydrophobicContact CG2-CB 4.43Å; V47-D70 WeakPolarHBondContact CG2-O 3.46Å; V47-D70 PolarHBondContact N-O 2.97Å; V66-D70 HydrophobicContact CG1-CB 4.18Å; K67-D70 PolarHBondContact N-OD2 2.81Å; K67-D70 VanDerWaalsContact O-CB 3.27Å; K67-D70 WeakPolarHBondContact O-CB 3.46Å; K67-D70 PolarHBondContact O-N 2.99Å; K67-D70 VanDerWaalsContact O-N 3.07Å; D70-V72 HydrophobicContact CB-CG1 4.41Å; D70-K112 WeakPolarHBondContact OD2-CD 3.41Å; D70-K112 IonicContact OD2-NZ 2.9Å; D70-K112 PolarHBondContact OD2-NZ 2.78Å
71R95.7Very high93.3Very high98 Ų9869.8 Ų69.837%0.3739%0.389SS..EExtended strand (participates in β ladder)trans-85.4125.8167.7-175-176.2172.8159.2-5.7108.8F22 E44 A45 K112 W113F22-R71 HydrophobicContact CE2-CG 3.81Å; F22-R71 HydrophobicContact CZ-CG 3.97Å; E44-R71 IonicContact OE1-CZ 3.53Å; E44-R71 IonicContact OE1-NE 3.85Å; E44-R71 PolarHBondContact OE1-NE 2.87Å; E44-R71 IonicContact OE1-NH2 2.66Å; E44-R71 PolarHBondContact OE1-NH2 2.84Å; E44-R71 IonicContact OE2-CZ 2.7Å; E44-R71 IonicContact OE2-NE 2.68Å; E44-R71 IonicContact OE2-NH2 3.46Å; E44-R71 PolarHBondContact OE2-NH2 2.93Å; A45-R71 WeakPolarHBondContact O-CA 3.37Å; R71-K112 CarbonylContact O-C 3.59Å; R71-K112 VanDerWaalsContact O-CA 3.22Å; R71-K112 WeakPolarHBondContact O-CA 3.36Å; R71-K112 WeakPolarHBondContact O-CB 3.39Å; R71-W113 HydrophobicContact CB-CB 4.34Å; R71-W113 HydrophobicContact CB-CE3 4.19Å; R71-W113 HydrophobicContact CG-CD2 4.15Å; R71-W113 HydrophobicContact CG-CE3 3.56Å; R71-W113 HydrophobicContact CG-CZ3 4.08Å; R71-W113 PolarHBondContact O-N 2.71Å
72V96.2Very high93.2Very high0 Ų067.7 Ų67.70%038%0.375CS..EExtended strand (participates in β ladder)trans-127.4149.7-173.8-63.40000112.8V19 A45 V47 V66 D70 L74 I109 G111 K112 W113V19-V72 HydrophobicContact CG1-CG2 4.21Å; A45-V72 HydrophobicContact CB-CG2 4.29Å; A45-V72 PolarHBondContact N-O 3.06Å; A45-V72 PolarHBondContact O-N 2.94Å; V47-V72 HydrophobicContact CG2-CB 4.47Å; V47-V72 HydrophobicContact CG2-CG1 3.68Å; V47-V72 HydrophobicContact CG2-CG2 3.92Å; V66-V72 HydrophobicContact CG1-CG1 3.74Å; V66-V72 HydrophobicContact CG2-CG1 4.37Å; D70-V72 HydrophobicContact CB-CG1 4.41Å; V72-L74 HydrophobicContact CG2-CD2 4.04Å; V72-I109 HydrophobicContact CB-CG2 3.81Å; V72-I109 HydrophobicContact CG1-CG2 4.07Å; V72-I109 HydrophobicContact CG2-CD1 4.39Å; V72-G111 CarbonylContact C-O 3.31Å; V72-G111 WeakPolarHBondContact CA-O 3.45Å; V72-K112 HydrophobicContact CG1-CB 4.05Å; V72-W113 VanDerWaalsContact C-CZ3 3.47Å
73L96.6Very high92.8Very high58 Ų5867 Ų6730%0.30438%0.375SS..EExtended strand (participates in β ladder)trans-95.8118.7173.5-177.267.7000108.9L43 L110 G111 W113L43-L73 HydrophobicContact CB-CD1 3.91Å; L73-L110 HydrophobicContact CB-CB 4.32Å; L73-L110 HydrophobicContact CD2-CB 4Å; L73-L110 HydrophobicContact CD2-CD1 4.19Å; L73-L110 HydrophobicContact CG-CB 4.15Å; L73-L110 HydrophobicContact CG-CD1 4.29Å; L73-L110 PolarHBondContact O-N 2.68Å; L73-G111 PolarHBondContact N-O 3.43Å; L73-W113 HydrophobicContact CB-CH2 3.84Å; L73-W113 HydrophobicContact CB-CZ3 3.81Å; L73-W113 HydrophobicContact CD1-CH2 4Å; L73-W113 HydrophobicContact CG-CH2 4.44Å
74L96Very high91.9Very high0 Ų064 Ų640%035%0.353CS..PPolyproline II helixtrans-85.7149.8177.9-54.1-177.5000110.8V19 R21 L43 A45 V72 F104 I109V19-L74 HydrophobicContact CG2-CD1 4.13Å; V19-L74 HydrophobicContact CG2-CD2 4Å; R21-L74 HydrophobicContact CG-CD1 3.82Å; L43-L74 WeakPolarHBondContact O-CA 3.31Å; L43-L74 VanDerWaalsContact O-CB 3.29Å; L43-L74 WeakPolarHBondContact O-CB 3.48Å; L43-L74 WeakPolarHBondContact O-CG 3.15Å; L43-L74 PolarHBondContact O-N 2.86Å; A45-L74 HydrophobicContact CB-CD1 3.64Å; A45-L74 HydrophobicContact CB-CD2 4.14Å; A45-L74 HydrophobicContact CB-CG 3.9Å; V72-L74 HydrophobicContact CG2-CD2 4.04Å; L74-F104 HydrophobicContact CB-CZ 4.27Å; L74-F104 HydrophobicContact CD1-CE2 3.71Å; L74-F104 HydrophobicContact CD1-CZ 4.02Å; L74-F104 HydrophobicContact CD2-CD2 3.84Å; L74-F104 HydrophobicContact CD2-CE2 3.81Å; L74-F104 HydrophobicContact CD2-CG 4.29Å; L74-F104 HydrophobicContact CD2-CZ 4.25Å; L74-F104 HydrophobicContact CG-CE2 4.24Å; L74-F104 HydrophobicContact CG-CZ 4.42Å; L74-I109 HydrophobicContact CD2-CD1 3.64Å
75P95.3Very high90.7Very high22 Ų2269.1 Ų69.114%0.14338%0.38CS..PPolyproline II helixtrans-68.5155.7169.231.1-34.5000110.8Y77 F104 D108 L110P75-Y77 WeakPolarHBondContact CB-O 3.39Å; P75-Y77 WeakPolarHBondContact CG-O 3.26Å; P75-Y77 PolarHBondContact O-N 3.48Å; P75-F104 HydrophobicContact CG-CD1 4.12Å; P75-F104 HydrophobicContact CG-CE1 3.77Å; P75-D108 VanDerWaalsContact CD-O 3.31Å; P75-D108 WeakPolarHBondContact CD-O 3.27Å; P75-D108 HydrophobicContact CG-CB 4.47Å; P75-D108 WeakPolarHBondContact CG-O 3.24Å; P75-L110 HydrophobicContact CB-CD1 4.46Å; P75-L110 HydrophobicContact CB-CG 4.45Å
76E91.6Very high89.1Confident121 Ų12168.2 Ų68.257%0.56537%0.369SS*.SBendtrans-60.8-29.2178.4-64.9-170.3128.700113.4K41 L43K41-E76 PolarHBondContact NZ-O 2.91Å; L43-E76 HydrophobicContact CD1-CG 3.97Å; L43-E76 HydrophobicContact CD2-CG 4.46Å
77Y90.8Very high86.8Confident175 Ų17577.2 Ų77.269%0.68641%0.407SS*.SBendtrans-132.7151.3-177.7-53.7-82.5000110.2P75P75-Y77 WeakPolarHBondContact CB-O 3.39Å; P75-Y77 WeakPolarHBondContact CG-O 3.26Å; P75-Y77 PolarHBondContact O-N 3.48Å
78G90.8Very high84.6Confident53 Ų5373.8 Ų73.855%0.54640%0.398SS..  trans102.1-173.1-177.800000112.7F104G78-F104 VanDerWaalsContact C-CE1 3.49Å; G78-F104 WeakPolarHBondContact O-CE1 3.38Å
79G91.5Very high82.3Confident32 Ų3274.9 Ų74.933%0.3341%0.41SS..  trans76.2150.6-168.200000112.7I103G79-I103 CarbonylContact C-O 3.49Å; G79-I103 WeakPolarHBondContact CA-O 3.1Å
80T94.6Very high80Confident94 Ų9478.8 Ų78.858%0.57742%0.417SS*.EExtended strand (participates in β ladder)trans-100.8117.9174.1-58.30000108.5I82 Y102 I103T80-I82 HydrophobicContact CG2-CG2 4.37Å; T80-I82 PolarHBondContact O-N 3.46Å; T80-Y102 CarbonylContact O-C 3.58Å; T80-Y102 WeakPolarHBondContact O-CA 3.22Å; T80-I103 PolarHBondContact N-O 3.4Å; T80-I103 PolarHBondContact O-N 3.21Å
81K91.5Very high77.8Confident101 Ų10182.5 Ų82.544%0.43945%0.446SS..EExtended strand (participates in β ladder)trans-65.9130.8170.9-178.3179177.3174.60108.8E100 Y102K81-E100 VanDerWaalsContact CE-OE1 3.3Å; K81-E100 WeakPolarHBondContact CE-OE1 3.22Å; K81-E100 IonicContact NZ-OE1 3.54Å; K81-E100 PolarHBondContact NZ-OE1 2.9Å; K81-E100 IonicContact NZ-OE2 2.56Å; K81-Y102 HydrophobicContact CB-CD1 4.14Å; K81-Y102 HydrophobicContact CB-CE1 3.78Å; K81-Y102 HydrophobicContact CG-CE1 4.15Å
82I88.2Confident75.7Confident30 Ų3085.6 Ų85.615%0.15446%0.464CS..EExtended strand (participates in β ladder)trans-123.5135.1169.773.2175.9000108.5F10 L18 T80 M84 Y101 I103F10-I82 HydrophobicContact CE1-CD1 4.44Å; F10-I82 HydrophobicContact CZ-CD1 4.42Å; L18-I82 HydrophobicContact CD1-CD1 3.35Å; L18-I82 HydrophobicContact CD1-CG1 4.1Å; T80-I82 HydrophobicContact CG2-CG2 4.37Å; T80-I82 PolarHBondContact O-N 3.46Å; I82-M84 HydrophobicContact CD1-CE 3.38Å; I82-M84 HydrophobicContact CD1-CG 4.26Å; I82-M84 HydrophobicContact CG1-CE 4.4Å; I82-M84 HydrophobicContact CG1-CG 4.5Å; I82-Y101 PolarHBondContact N-O 2.81Å; I82-Y101 PolarHBondContact O-N 3.49Å; I82-Y101 VanDerWaalsContact O-N 3.09Å; I82-Y101 VanDerWaalsContact O-O 3.05Å; I82-I103 HydrophobicContact CD1-CD1 3.96Å; I82-I103 HydrophobicContact CD1-CG1 3.96Å; I82-I103 HydrophobicContact CG2-CD1 3.77Å; I82-I103 HydrophobicContact CG2-CG1 4.03Å
83V82.2Confident73.2Confident79 Ų7991.1 Ų91.148%0.47950%0.503SS..EExtended strand (participates in β ladder)trans-102.8116.9169.7178.80000105.3T98V83-T98 HydrophobicContact CG1-CG2 3.53Å; V83-T98 HydrophobicContact CG2-CG2 4.22Å
84M74.8Confident71.2Confident31 Ų3197.6 Ų97.615%0.15353%0.529CS..  trans-96.9119.9171.3-63-164.5-166.300107.7A6 V7 F10 L18 I82 E86 Y101A6-M84 HydrophobicContact CB-CB 4.46Å; A6-M84 HydrophobicContact CB-SD 4.39Å; V7-M84 HydrophobicContact CB-SD 4.33Å; V7-M84 HydrophobicContact CG2-CE 4.33Å; V7-M84 HydrophobicContact CG2-SD 3.74Å; F10-M84 HydrophobicContact CB-CE 3.56Å; F10-M84 HydrophobicContact CB-SD 4.27Å; F10-M84 HydrophobicContact CD1-CE 3.8Å; F10-M84 HydrophobicContact CD2-CE 4.05Å; F10-M84 HydrophobicContact CG-CE 3.51Å; L18-M84 HydrophobicContact CD1-CE 4Å; L18-M84 HydrophobicContact CD2-CE 3.49Å; L18-M84 VanDerWaalsContact CD2-CE 3.49Å; L18-M84 HydrophobicContact CG-CE 4.41Å; I82-M84 HydrophobicContact CD1-CE 3.38Å; I82-M84 HydrophobicContact CD1-CG 4.26Å; I82-M84 HydrophobicContact CG1-CE 4.4Å; I82-M84 HydrophobicContact CG1-CG 4.5Å; M84-E86 PolarHBondContact O-N 3Å; M84-E86 VanDerWaalsContact O-N 3.09Å; M84-Y101 HydrophobicContact CB-CD2 4.07Å; M84-Y101 HydrophobicContact CB-CE2 3.97Å; M84-Y101 HydrophobicContact CG-CD2 3.85Å; M84-Y101 HydrophobicContact CG-CE2 4.16Å; M84-Y101 HydrophobicContact SD-CD2 4.33Å; M84-Y101 HydrophobicContact SD-CE2 4.42Å
85D67.4Low69Low131 Ų131105.5 Ų105.570%0.70157%0.568SS**  trans-64.2113.9168.6-66.3-28.9000107.8K87D85-K87 PolarHBondContact O-N 2.96Å
86E60.7Low66.9Low83 Ų83111.7 Ų111.739%0.38860%0.595SS.*  trans-66.780.2167.448.4174.2-175.100109T4 M84 V88T4-E86 HydrophobicContact CG2-CB 4.2Å; M84-E86 PolarHBondContact O-N 3Å; M84-E86 VanDerWaalsContact O-N 3.09Å; E86-V88 HydrophobicContact CB-CG2 4.2Å; E86-V88 PolarHBondContact O-N 3.28Å
87K46.1Very low65.3Low198 Ų198111.6 Ų111.686%0.86160%0.599SS**  trans-7556.5164.4-159.2177.5-176.6177.20109D85D85-K87 PolarHBondContact O-N 2.96Å
88V46.1Very low64.1Low69 Ų69107 Ų10742%0.41859%0.589SS.*  trans-80119.1171176.30000106.6T4 E86 I90T4-V88 HydrophobicContact CG2-CG2 3.6Å; E86-V88 HydrophobicContact CB-CG2 4.2Å; E86-V88 PolarHBondContact O-N 3.28Å; V88-I90 VanDerWaalsContact C-N 3.26Å; V88-I90 HydrophobicContact CG1-CG1 4.35Å; V88-I90 PolarHBondContact O-N 2.84Å
89S45.5Very low63.4Low111 Ų111107.1 Ų107.178%0.77658%0.577SS**  trans-54.583169.2-72.50000111.4
90I44.2Very low63.1Low133 Ų133109.4 Ų109.468%0.68258%0.579SS**  trans-139.1108.8155.5-59.9-70000107.2V88 Q92V88-I90 VanDerWaalsContact C-N 3.26Å; V88-I90 HydrophobicContact CG1-CG1 4.35Å; V88-I90 PolarHBondContact O-N 2.84Å; I90-Q92 VanDerWaalsContact C-N 3.29Å; I90-Q92 PolarHBondContact O-N 3.06Å
91S47.8Very low62.9Low113 Ų113105.4 Ų105.479%0.7955%0.553SS**  trans-57.592.3162-48.50000108.8
92Q52.7Low63Low163 Ų163101.8 Ų101.876%0.76254%0.537SS*.SBendtrans166.1125.7148.4-91.6157.589.200110.6I90 F94I90-Q92 VanDerWaalsContact C-N 3.29Å; I90-Q92 PolarHBondContact O-N 3.06Å; Q92-F94 PolarHBondContact O-N 3.15Å
93S42.9Very low63.3Low117 Ų117101.6 Ų101.682%0.81854%0.536SS*.  trans-43.3116174.9-64.50000114
94F54.7Low64Low194 Ų19498 Ų9885%0.85151%0.514SS*.  trans-140.9147151.6-82.1-83.9000107.9Q92 Q96Q92-F94 PolarHBondContact O-N 3.15Å; F94-Q96 PolarHBondContact O-N 3.07Å
95M49.4Very low65Low165 Ų165102.9 Ų102.981%0.81353%0.531SS*.  trans-37.6129-168.5-75.317076.200112.8D97M95-D97 PolarHBondContact O-N 2.83Å
96Q51.7Low66.3Low153 Ų15398.6 Ų98.672%0.71551%0.506SS*.  trans-70.974174.4-167.515580.700108F94 T98F94-Q96 PolarHBondContact O-N 3.07Å; Q96-T98 PolarHBondContact O-N 3.17Å; Q96-T98 PolarHBondContact O-OG1 2.89Å
97D58Low67.9Low118 Ų11898.9 Ų98.963%0.63152%0.517SS*.  trans-60.699167.8-81-21.1000105.7M95 I99M95-D97 PolarHBondContact O-N 2.83Å; D97-I99 VanDerWaalsContact C-N 3.3Å; D97-I99 PolarHBondContact O-N 3.4Å
98T65.4Low70.2Confident79 Ų7992 Ų9249%0.48549%0.49SS..  trans-69.893.9-178-59.40000107V83 Q96 E100V83-T98 HydrophobicContact CG1-CG2 3.53Å; V83-T98 HydrophobicContact CG2-CG2 4.22Å; Q96-T98 PolarHBondContact O-N 3.17Å; Q96-T98 PolarHBondContact O-OG1 2.89Å; T98-E100 PolarHBondContact O-N 3.29Å
99I75.8Confident72.6Confident56 Ų5689.8 Ų89.829%0.28748%0.475SS..PPolyproline II helixtrans-67.8117.2176.3-55.3177.7000107.5D97 Y101D97-I99 VanDerWaalsContact C-N 3.3Å; D97-I99 PolarHBondContact O-N 3.4Å; I99-Y101 HydrophobicContact CB-CE2 4.11Å; I99-Y101 HydrophobicContact CG2-CD1 4.23Å; I99-Y101 HydrophobicContact CG2-CE1 3.55Å; I99-Y101 HydrophobicContact CG2-CE2 3.95Å; I99-Y101 VanDerWaalsContact CG2-CZ 3.41Å
100E84.7Confident75Confident80 Ų8090 Ų9037%0.37447%0.468SS..EExtended strand (participates in β ladder)trans-85.9117.8177.6-56.9-170.1164.500109.9K81 T98 Y102K81-E100 VanDerWaalsContact CE-OE1 3.3Å; K81-E100 WeakPolarHBondContact CE-OE1 3.22Å; K81-E100 IonicContact NZ-OE1 3.54Å; K81-E100 PolarHBondContact NZ-OE1 2.9Å; K81-E100 IonicContact NZ-OE2 2.56Å; T98-E100 PolarHBondContact O-N 3.29Å; E100-Y102 HydrophobicContact CB-CE2 3.88Å; E100-Y102 PolarHBondContact OE2-OH 2.96Å
101Y90.7Very high77.5Confident9 Ų985.3 Ų85.34%0.03545%0.451CS..EExtended strand (participates in β ladder)trans-103.2157.6169.3-51.6-76.1000110.3V7 L18 E20 L48 I82 M84 I99V7-Y101 HydrophobicContact CG2-CD1 4.44Å; V7-Y101 HydrophobicContact CG2-CD2 4.37Å; V7-Y101 HydrophobicContact CG2-CE1 3.81Å; V7-Y101 HydrophobicContact CG2-CE2 3.71Å; V7-Y101 WeakPolarHBondContact CG2-OH 3.34Å; L18-Y101 HydrophobicContact CD1-CG 4.41Å; E20-Y101 HydrophobicContact CB-CD1 4.11Å; E20-Y101 HydrophobicContact CB-CE1 4.31Å; E20-Y101 HydrophobicContact CG-CE1 4.49Å; L48-Y101 HydrophobicContact CD1-CD1 3.58Å; L48-Y101 HydrophobicContact CD1-CE1 3.36Å; I82-Y101 PolarHBondContact N-O 2.81Å; I82-Y101 PolarHBondContact O-N 3.49Å; I82-Y101 VanDerWaalsContact O-N 3.09Å; I82-Y101 VanDerWaalsContact O-O 3.05Å; M84-Y101 HydrophobicContact CB-CD2 4.07Å; M84-Y101 HydrophobicContact CB-CE2 3.97Å; M84-Y101 HydrophobicContact CG-CD2 3.85Å; M84-Y101 HydrophobicContact CG-CE2 4.16Å; M84-Y101 HydrophobicContact SD-CD2 4.33Å; M84-Y101 HydrophobicContact SD-CE2 4.42Å; I99-Y101 HydrophobicContact CB-CE2 4.11Å; I99-Y101 HydrophobicContact CG2-CD1 4.23Å; I99-Y101 HydrophobicContact CG2-CE1 3.55Å; I99-Y101 HydrophobicContact CG2-CE2 3.95Å; I99-Y101 VanDerWaalsContact CG2-CZ 3.41Å
102Y94Very high79.7Confident25 Ų2583.2 Ų83.210%0.09843%0.428CS..EExtended strand (participates in β ladder)trans-130.5141.2178.3-68-99.3000110L18 V19 R21 T80 K81 E100 F104L18-Y102 WeakPolarHBondContact CA-O 3.48Å; V19-Y102 WeakPolarHBondContact CG2-O 3.14Å; V19-Y102 PolarHBondContact N-O 3.41Å; V19-Y102 PolarHBondContact O-N 3.14Å; R21-Y102 HydrophobicContact CG-CD2 4.21Å; R21-Y102 HydrophobicContact CG-CE2 4.38Å; R21-Y102 PolarHBondContact NH1-OH 2.86Å; T80-Y102 CarbonylContact O-C 3.58Å; T80-Y102 WeakPolarHBondContact O-CA 3.22Å; K81-Y102 HydrophobicContact CB-CD1 4.14Å; K81-Y102 HydrophobicContact CB-CE1 3.78Å; K81-Y102 HydrophobicContact CG-CE1 4.15Å; E100-Y102 HydrophobicContact CB-CE2 3.88Å; E100-Y102 PolarHBondContact OE2-OH 2.96Å; Y102-F104 VanDerWaalsContact CB-CE2 3.45Å; Y102-F104 HydrophobicContact CD1-CE2 4.45Å; Y102-F104 HydrophobicContact CG-CE2 4.21Å
103I95.6Very high81.7Confident27 Ų2780.6 Ų80.614%0.13841%0.411CS..EExtended strand (participates in β ladder)trans-104.4123.8170.5-59.6176.2000108.7F10 R16 L17 L18 G79 T80 I82F10-I103 HydrophobicContact CE1-CD1 3.81Å; F10-I103 HydrophobicContact CE1-CG1 4.42Å; F10-I103 HydrophobicContact CZ-CD1 3.49Å; F10-I103 VanDerWaalsContact CZ-CD1 3.49Å; R16-I103 HydrophobicContact CB-CG2 3.85Å; R16-I103 HydrophobicContact CG-CG2 4.21Å; L17-I103 CarbonylContact O-C 3.21Å; L17-I103 VanDerWaalsContact O-CA 3.26Å; L17-I103 WeakPolarHBondContact O-CA 3.28Å; L18-I103 HydrophobicContact CD1-CG1 4.04Å; G79-I103 CarbonylContact C-O 3.49Å; G79-I103 WeakPolarHBondContact CA-O 3.1Å; T80-I103 PolarHBondContact N-O 3.4Å; T80-I103 PolarHBondContact O-N 3.21Å; I82-I103 HydrophobicContact CD1-CD1 3.96Å; I82-I103 HydrophobicContact CD1-CG1 3.96Å; I82-I103 HydrophobicContact CG2-CD1 3.77Å; I82-I103 HydrophobicContact CG2-CG1 4.03Å
104F96.7Very high83.9Confident3 Ų381.6 Ų81.61%0.01341%0.408CS..EExtended strand (participates in β ladder)trans-118157.1172.2-73.3-92.2000110.2R16 L17 V19 L74 P75 G78 Y102 D108 I109R16-F104 CarbonylContact C-O 3.57Å; R16-F104 VanDerWaalsContact CA-O 3.3Å; R16-F104 WeakPolarHBondContact CA-O 3.43Å; L17-F104 PolarHBondContact N-O 3.49Å; L17-F104 PolarHBondContact O-N 3.04Å; V19-F104 HydrophobicContact CG2-CD2 3.7Å; V19-F104 HydrophobicContact CG2-CE2 3.9Å; L74-F104 HydrophobicContact CB-CZ 4.27Å; L74-F104 HydrophobicContact CD1-CE2 3.71Å; L74-F104 HydrophobicContact CD1-CZ 4.02Å; L74-F104 HydrophobicContact CD2-CD2 3.84Å; L74-F104 HydrophobicContact CD2-CE2 3.81Å; L74-F104 HydrophobicContact CD2-CG 4.29Å; L74-F104 HydrophobicContact CD2-CZ 4.25Å; L74-F104 HydrophobicContact CG-CE2 4.24Å; L74-F104 HydrophobicContact CG-CZ 4.42Å; P75-F104 HydrophobicContact CG-CD1 4.12Å; P75-F104 HydrophobicContact CG-CE1 3.77Å; G78-F104 VanDerWaalsContact C-CE1 3.49Å; G78-F104 WeakPolarHBondContact O-CE1 3.38Å; Y102-F104 VanDerWaalsContact CB-CE2 3.45Å; Y102-F104 HydrophobicContact CD1-CE2 4.45Å; Y102-F104 HydrophobicContact CG-CE2 4.21Å; F104-D108 HydrophobicContact CD1-CB 4.45Å; F104-I109 HydrophobicContact CB-CD1 3.78Å; F104-I109 HydrophobicContact CG-CD1 4.19Å
105R95.6Very high84.7Confident134 Ų13485.1 Ų85.151%0.50643%0.426SS..EExtended strand (participates in β ladder)trans-79.5148.5160.7-70.6-177.8-82.3-166.9-6.2108.9D15 S107 D108 I109D15-R105 CarbonylContact O-C 3.52Å; D15-R105 WeakPolarHBondContact O-CA 3.48Å; R105-S107 PolarHBondContact O-N 2.66Å; R105-D108 IonicContact NE-OD2 3.54Å; R105-D108 WeakPolarHBondContact O-CB 3.27Å; R105-D108 PolarHBondContact O-N 2.82Å; R105-I109 PolarHBondContact O-N 3.1Å
106E94.5Very high86.4Confident41 Ų4181.1 Ų81.119%0.19241%0.407CS..G310 helixtrans-56.3-37.7173.3177.1175.7-111.100111.5D15 L17 L64 T65 V66 D108 I109D15-E106 HydrophobicContact CB-CB 4.39Å; D15-E106 PolarHBondContact O-N 3.37Å; L17-E106 HydrophobicContact CD1-CB 4.13Å; L64-E106 VanDerWaalsContact CA-OE1 3.27Å; L64-E106 WeakPolarHBondContact CA-OE1 3.17Å; L64-E106 VanDerWaalsContact CB-OE1 3.28Å; L64-E106 WeakPolarHBondContact CB-OE1 3.36Å; L64-E106 HydrophobicContact CD2-CB 3.82Å; L64-E106 HydrophobicContact CD2-CG 4.2Å; L64-E106 WeakPolarHBondContact CD2-OE2 3.19Å; T65-E106 WeakPolarHBondContact CA-OE1 3.36Å; T65-E106 PolarHBondContact N-OE1 3.31Å; V66-E106 HydrophobicContact CG2-CG 4.43Å; V66-E106 PolarHBondContact N-OE1 2.94Å; E106-D108 PolarHBondContact O-N 2.76Å; E106-D108 VanDerWaalsContact O-N 3.15Å; E106-I109 WeakPolarHBondContact O-CB 3.33Å; E106-I109 PolarHBondContact O-N 3.38Å
107S93.8Very high88.2Confident88 Ų8877.3 Ų77.362%0.61539%0.391SS*.G310 helixtrans-60.5-23.8176.763.90000114.2R105R105-S107 PolarHBondContact O-N 2.66Å
108D95.3Very high89.9Confident54 Ų5475.1 Ų75.129%0.28938%0.378SS..G310 helixtrans-88.4-15.8-179-58.2-24000111.3P75 F104 R105 E106 L110P75-D108 VanDerWaalsContact CD-O 3.31Å; P75-D108 WeakPolarHBondContact CD-O 3.27Å; P75-D108 HydrophobicContact CG-CB 4.47Å; P75-D108 WeakPolarHBondContact CG-O 3.24Å; F104-D108 HydrophobicContact CD1-CB 4.45Å; R105-D108 IonicContact NE-OD2 3.54Å; R105-D108 WeakPolarHBondContact O-CB 3.27Å; R105-D108 PolarHBondContact O-N 2.82Å; E106-D108 PolarHBondContact O-N 2.76Å; E106-D108 VanDerWaalsContact O-N 3.15Å; D108-L110 PolarHBondContact O-N 2.83Å
109I95.9Very high91.4Very high22 Ų2274.8 Ų74.811%0.11337%0.371CS..  trans-72.8125.1178.1-59.5-57.9000109.5L17 V72 L74 F104 R105 E106L17-I109 HydrophobicContact CD1-CD1 4.46Å; L17-I109 HydrophobicContact CD1-CG1 3.76Å; V72-I109 HydrophobicContact CB-CG2 3.81Å; V72-I109 HydrophobicContact CG1-CG2 4.07Å; V72-I109 HydrophobicContact CG2-CD1 4.39Å; L74-I109 HydrophobicContact CD2-CD1 3.64Å; F104-I109 HydrophobicContact CB-CD1 3.78Å; F104-I109 HydrophobicContact CG-CD1 4.19Å; R105-I109 PolarHBondContact O-N 3.1Å; E106-I109 WeakPolarHBondContact O-CB 3.33Å; E106-I109 PolarHBondContact O-N 3.38Å
110L96.2Very high92.3Very high117 Ų11776 Ų7661%0.61338%0.377SS*.  trans-79-24.5-173.4-62.7-178.9000113.3L73 P75 D108L73-L110 HydrophobicContact CB-CB 4.32Å; L73-L110 HydrophobicContact CD2-CB 4Å; L73-L110 HydrophobicContact CD2-CD1 4.19Å; L73-L110 HydrophobicContact CG-CB 4.15Å; L73-L110 HydrophobicContact CG-CD1 4.29Å; L73-L110 PolarHBondContact O-N 2.68Å; P75-L110 HydrophobicContact CB-CD1 4.46Å; P75-L110 HydrophobicContact CB-CG 4.45Å; D108-L110 PolarHBondContact O-N 2.83Å
111G95.9Very high92.8Very high33 Ų3375.7 Ų75.734%0.3438%0.377SS..EExtended strand (participates in β ladder)trans173.6172.2179.500000112.1V72 L73V72-G111 CarbonylContact C-O 3.31Å; V72-G111 WeakPolarHBondContact CA-O 3.45Å; L73-G111 PolarHBondContact N-O 3.43Å
112K95.1Very high93Very high70 Ų7080.5 Ų80.530%0.30440%0.401SS..EExtended strand (participates in β ladder)trans-130.8149.1172.371.5-178.7-167.2169.80110.5T65 D70 R71 V72T65-K112 PolarHBondContact O-NZ 3.26Å; D70-K112 WeakPolarHBondContact OD2-CD 3.41Å; D70-K112 IonicContact OD2-NZ 2.9Å; D70-K112 PolarHBondContact OD2-NZ 2.78Å; R71-K112 CarbonylContact O-C 3.59Å; R71-K112 VanDerWaalsContact O-CA 3.22Å; R71-K112 WeakPolarHBondContact O-CA 3.36Å; R71-K112 WeakPolarHBondContact O-CB 3.39Å; V72-K112 HydrophobicContact CG1-CB 4.05Å
113W94.2Very high92.9Very high108 Ų10884.8 Ų84.841%0.40942%0.424SS..  trans-78.3129.8171.2-75.7-100.7000108.8E44 R71 V72 L73E44-W113 HydrophobicContact CG-CH2 3.74Å; E44-W113 HydrophobicContact CG-CZ2 4.46Å; E44-W113 HydrophobicContact CG-CZ3 4.3Å; E44-W113 WeakPolarHBondContact OE1-CH2 3.32Å; E44-W113 WeakPolarHBondContact OE1-CZ2 3.47Å; R71-W113 HydrophobicContact CB-CB 4.34Å; R71-W113 HydrophobicContact CB-CE3 4.19Å; R71-W113 HydrophobicContact CG-CD2 4.15Å; R71-W113 HydrophobicContact CG-CE3 3.56Å; R71-W113 HydrophobicContact CG-CZ3 4.08Å; R71-W113 PolarHBondContact O-N 2.71Å; V72-W113 VanDerWaalsContact C-CZ3 3.47Å; L73-W113 HydrophobicContact CB-CH2 3.84Å; L73-W113 HydrophobicContact CB-CZ3 3.81Å; L73-W113 HydrophobicContact CD1-CH2 4Å; L73-W113 HydrophobicContact CG-CH2 4.44Å
114N88Confident92.7Very high138 Ų13889.6 Ų89.674%0.73845%0.448SS*.  trans-87.3116.5166.9-57.3-38.9000106.4
115E71.3Confident92.3Very high267 Ų26797.5 Ų97.5100%1.24849%0.488SS*.  trans-70.70161.4-80.9-175.593.200110.8

Retrieved 115 of 115 residues in 94.7 ms (Link to these results)

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