A0A077YV35_TRITR Loading...

Cyclin-dependent kinases regulatory subunit

Binds to the catalytic subunit of the cyclin dependent kinases and is essential for their biological function.

AlphaFold DB , UniProt , Accession A0A077YV35, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 104 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
1M50Low87.1Confident199 Ų199115.5 Ų115.598%0.9853%0.526SS*.  01190-80.5158.8-175.300107.2R3 K26M1-R3 PolarHBondContact O-N 3.49Å; M1-K26 HydrophobicContact SD-CD 4.34Å
2S58.4Low87.9Confident98 Ų98116.3 Ų116.369%0.68553%0.532SS*.  trans-49.8125.4178.731.40000109.6
3R78.3Confident88.4Confident213 Ų213111.6 Ų111.680%0.80451%0.513SS*.  trans-85.62.3177.2-70.7-179173.8162.9-1.6112M1 P25M1-R3 PolarHBondContact O-N 3.49Å; R3-P25 WeakPolarHBondContact O-CG 3.2Å
4E90.7Very high88.8Confident157 Ų157118.5 Ų118.573%0.73455%0.546SS*.SBendtrans-102.6144.4-170.8-64.4177.899.700110.3
5I96.5Very high89Confident35 Ų35120.8 Ų120.818%0.17956%0.557CS.*PPolyproline II helixtrans-77.2125.5172.9-63.5174.1000107.4Y7 V22 H23 L24 L28 G47 I48I5-Y7 HydrophobicContact CB-CE2 4.18Å; I5-Y7 HydrophobicContact CG2-CD2 4.4Å; I5-Y7 HydrophobicContact CG2-CE1 4.2Å; I5-Y7 HydrophobicContact CG2-CE2 3.73Å; I5-Y7 WeakPolarHBondContact O-CE2 3.48Å; I5-V22 HydrophobicContact CG2-CG1 3.28Å; I5-H23 WeakPolarHBondContact CA-O 3.39Å; I5-L24 HydrophobicContact CD1-CD2 4.01Å; I5-L24 HydrophobicContact CG1-CD2 4Å; I5-L24 HydrophobicContact CG2-CD2 4.31Å; I5-L28 HydrophobicContact CD1-CD1 4.22Å; I5-L28 HydrophobicContact CG1-CD1 4.38Å; I5-G47 VanDerWaalsContact CD1-C 3.47Å; I5-G47 WeakPolarHBondContact CD1-O 3.46Å; I5-I48 HydrophobicContact CD1-CG1 4.29Å
6Y96.8Very high89.4Confident138 Ų138113.9 Ų113.954%0.54153%0.53SS..EExtended strand (participates in β ladder)trans-99.9140.1176.2168-91.4000110.4V22 H23Y6-V22 CarbonylContact O-C 3.38Å; Y6-V22 WeakPolarHBondContact O-CA 3.22Å; Y6-H23 HydrophobicContact CD1-CB 4.23Å; Y6-H23 AromaticContact CD1-CD2 3.6Å; Y6-H23 PolarHBondContact N-O 3.3Å; Y6-H23 PolarHBondContact O-N 3.16Å
7Y97.6Very high89.8Confident65 Ų65109.8 Ų109.826%0.25551%0.509SS..EExtended strand (participates in β ladder)trans-118126.7-179.2-59.3-96.1000108.5I5 V22 I48 Q49I5-Y7 HydrophobicContact CB-CE2 4.18Å; I5-Y7 HydrophobicContact CG2-CD2 4.4Å; I5-Y7 HydrophobicContact CG2-CE1 4.2Å; I5-Y7 HydrophobicContact CG2-CE2 3.73Å; I5-Y7 WeakPolarHBondContact O-CE2 3.48Å; Y7-V22 HydrophobicContact CD1-CG1 4.31Å; Y7-V22 HydrophobicContact CD1-CG2 3.67Å; Y7-V22 HydrophobicContact CE1-CG1 4.2Å; Y7-V22 HydrophobicContact CE1-CG2 4.03Å; Y7-I48 HydrophobicContact CE1-CG2 4.1Å; Y7-Q49 VanDerWaalsContact CE1-O 3.3Å; Y7-Q49 WeakPolarHBondContact CE1-O 3.24Å; Y7-Q49 PolarHBondContact OH-N 3.11Å; Y7-Q49 PolarHBondContact OH-O 3.38Å
8S97.2Very high90.2Very high5 Ų5104.4 Ų104.44%0.03548%0.484CS..PPolyproline II helixtrans-68.2164.1176.580.10000112.5R20 H21S8-R20 PolarHBondContact O-NE 3.16Å; S8-R20 PolarHBondContact O-NH2 3.48Å; S8-R20 WeakPolarHBondContact OG-CG 3.47Å; S8-H21 WeakPolarHBondContact CB-CE1 3.49Å; S8-H21 WeakPolarHBondContact CB-NE2 3.2Å; S8-H21 WeakPolarHBondContact CB-O 3.46Å; S8-H21 PolarHBondContact N-O 3.29Å; S8-H21 PolarHBondContact OG-N 3.23Å; S8-H21 PolarHBondContact OG-ND1 3.11Å; S8-H21 PolarHBondContact OG-O 2.92Å
9E97.5Very high90.6Very high170 Ų170100.5 Ų100.579%0.79446%0.464SS*.PPolyproline II helixtrans-56.9155.9158.1-64.8-169.4163.200110.5
10K97.5Very high91Very high85 Ų8597.8 Ų97.837%0.3745%0.45SS..PPolyproline II helixtrans-92.6149-179.4-49.1-171.3-166.5172.40109.8E18 Y19 W54 R71K10-E18 HydrophobicContact CB-CG 4Å; K10-E18 HydrophobicContact CD-CG 3.97Å; K10-E18 WeakPolarHBondContact CD-OE1 3.36Å; K10-E18 VanDerWaalsContact CD-OE2 3.29Å; K10-E18 WeakPolarHBondContact CD-OE2 3.41Å; K10-E18 IonicContact NZ-OE1 2.9Å; K10-E18 PolarHBondContact NZ-OE1 2.76Å; K10-E18 IonicContact NZ-OE2 3.13Å; K10-E18 PolarHBondContact NZ-OE2 3.32Å; K10-E18 VanDerWaalsContact NZ-OE2 3.13Å; K10-Y19 VanDerWaalsContact CA-O 3.25Å; K10-Y19 WeakPolarHBondContact CA-O 3.44Å; K10-W54 HydrophobicContact CD-CH2 4.31Å; K10-W54 HydrophobicContact CD-CZ2 4.07Å; K10-R71 VanDerWaalsContact NZ-NH2 3.14Å
11Y97.5Very high91.3Very high105 Ų10595.9 Ų95.941%0.41244%0.441SS..EExtended strand (participates in β ladder)trans-137.5153.1174.653.4-82.7000109.3E18 Y19Y11-E18 CarbonylContact O-C 3.59Å; Y11-E18 WeakPolarHBondContact O-CA 3.31Å; Y11-Y19 HydrophobicContact CD2-CD2 4.09Å; Y11-Y19 HydrophobicContact CD2-CG 4.11Å; Y11-Y19 HydrophobicContact CE2-CD1 4.41Å; Y11-Y19 HydrophobicContact CE2-CD2 4.03Å; Y11-Y19 AromaticContact CE2-CG 3.66Å; Y11-Y19 HydrophobicContact CE2-CG 3.66Å; Y11-Y19 PolarHBondContact N-O 2.85Å; Y11-Y19 VanDerWaalsContact N-O 3.13Å; Y11-Y19 PolarHBondContact O-N 3.24Å
12E96.5Very high93.6Very high126 Ų12686.4 Ų86.459%0.58939%0.394SS*.EExtended strand (participates in β ladder)trans-122.3154.6-172.9-60.2177.8-177.800109.9Y17 E18 L73E12-Y17 CarbonylContact C-O 3.56Å; E12-Y17 WeakPolarHBondContact CA-O 3.4Å; E12-E18 HydrophobicContact CG-CB 4.24Å; E12-E18 HydrophobicContact CG-CG 4.04Å; E12-L73 HydrophobicContact CB-CD1 4.4Å; E12-L73 HydrophobicContact CG-CD1 3.94Å
13D94.7Very high95.4Very high55 Ų5584.3 Ų84.329%0.29437%0.374SS..  trans-113.8175.2172.974.43.1000112.7E15 G16 Y17 Y19D13-E15 VanDerWaalsContact C-N 3.27Å; D13-E15 PolarHBondContact O-N 3.16Å; D13-E15 PolarHBondContact OD1-N 3.03Å; D13-E15 VanDerWaalsContact OD1-N 3.07Å; D13-G16 PolarHBondContact O-N 2.74Å; D13-G16 PolarHBondContact OD1-N 3.27Å; D13-Y17 PolarHBondContact N-O 3.15Å; D13-Y17 PolarHBondContact OD1-N 2.92Å; D13-Y19 HydrophobicContact CB-CE2 3.87Å; D13-Y19 WeakPolarHBondContact OD2-CE2 3.43Å; D13-Y19 PolarHBondContact OD2-OH 3.12Å
14E93.6Very high96.3Very high208 Ų20874.5 Ų74.597%0.97234%0.337SS*.THydrogen-bonded Turntrans-72.5-19.2178.8-58.9-176.8149.300113G16E14-G16 VanDerWaalsContact C-N 3.27Å; E14-G16 PolarHBondContact O-N 2.77Å
15E92.8Very high96.5Very high153 Ų15367.6 Ų67.672%0.71531%0.306SS*.THydrogen-bonded Turntrans-80.7-7.5178.6-61.8-168.917400112.9D13 Y17D13-E15 VanDerWaalsContact C-N 3.27Å; D13-E15 PolarHBondContact O-N 3.16Å; D13-E15 PolarHBondContact OD1-N 3.03Å; D13-E15 VanDerWaalsContact OD1-N 3.07Å; E15-Y17 HydrophobicContact CB-CD2 4.1Å; E15-Y17 HydrophobicContact CB-CE2 4.49Å
16G94.2Very high96.2Very high11 Ų1173 Ų7311%0.11333%0.328CS..SBendtrans87.732.8178.600000113.3D13 E14 L73D13-G16 PolarHBondContact O-N 2.74Å; D13-G16 PolarHBondContact OD1-N 3.27Å; E14-G16 VanDerWaalsContact C-N 3.27Å; E14-G16 PolarHBondContact O-N 2.77Å; G16-L73 WeakPolarHBondContact O-CB 3.4Å; G16-L73 PolarHBondContact O-N 2.67Å
17Y96.6Very high96Very high44 Ų4472.4 Ų72.417%0.17333%0.33CS..EExtended strand (participates in β ladder)trans-103.1143169-74.4-89.5000111.4E12 D13 E15 Y19 R70 R71 K72E12-Y17 CarbonylContact C-O 3.56Å; E12-Y17 WeakPolarHBondContact CA-O 3.4Å; D13-Y17 PolarHBondContact N-O 3.15Å; D13-Y17 PolarHBondContact OD1-N 2.92Å; E15-Y17 HydrophobicContact CB-CD2 4.1Å; E15-Y17 HydrophobicContact CB-CE2 4.49Å; Y17-Y19 VanDerWaalsContact CB-CE2 3.41Å; Y17-Y19 WeakPolarHBondContact CB-OH 3.44Å; Y17-R70 HydrophobicContact CD1-CB 4.26Å; Y17-R70 HydrophobicContact CD1-CG 3.92Å; Y17-R70 HydrophobicContact CE1-CG 4.27Å; Y17-R71 WeakPolarHBondContact CA-O 3.41Å; Y17-K72 HydrophobicContact CE1-CB 4.25Å
18E97.5Very high95.9Very high13 Ų1371.1 Ų71.16%0.06133%0.327CS..EExtended strand (participates in β ladder)trans-106.1135.5166.5-167.8-165.6-125.100108.4K10 Y11 E12 W54 R70 R71 L73K10-E18 HydrophobicContact CB-CG 4Å; K10-E18 HydrophobicContact CD-CG 3.97Å; K10-E18 WeakPolarHBondContact CD-OE1 3.36Å; K10-E18 VanDerWaalsContact CD-OE2 3.29Å; K10-E18 WeakPolarHBondContact CD-OE2 3.41Å; K10-E18 IonicContact NZ-OE1 2.9Å; K10-E18 PolarHBondContact NZ-OE1 2.76Å; K10-E18 IonicContact NZ-OE2 3.13Å; K10-E18 PolarHBondContact NZ-OE2 3.32Å; K10-E18 VanDerWaalsContact NZ-OE2 3.13Å; Y11-E18 CarbonylContact O-C 3.59Å; Y11-E18 WeakPolarHBondContact O-CA 3.31Å; E12-E18 HydrophobicContact CG-CB 4.24Å; E12-E18 HydrophobicContact CG-CG 4.04Å; E18-W54 HydrophobicContact CG-CH2 4.13Å; E18-W54 VanDerWaalsContact O-CZ3 3.3Å; E18-W54 WeakPolarHBondContact O-CZ3 3.37Å; E18-W54 WeakPolarHBondContact OE2-CH2 3.2Å; E18-W54 WeakPolarHBondContact OE2-CZ2 3.45Å; E18-R70 CarbonylContact O-C 3.59Å; E18-R70 WeakPolarHBondContact O-CA 3.3Å; E18-R71 HydrophobicContact CB-CG 4.11Å; E18-R71 PolarHBondContact N-O 2.79Å; E18-R71 PolarHBondContact O-N 2.88Å; E18-R71 IonicContact OE1-NH2 3.32Å; E18-R71 PolarHBondContact OE1-NH2 3.42Å; E18-R71 IonicContact OE2-CZ 3.01Å; E18-R71 IonicContact OE2-NE 2.62Å; E18-R71 PolarHBondContact OE2-NE 2.71Å; E18-R71 IonicContact OE2-NH2 3.44Å; E18-R71 PolarHBondContact OE2-NH2 2.97Å; E18-L73 HydrophobicContact CB-CD1 4.34Å; E18-L73 HydrophobicContact CB-CD2 3.8Å; E18-L73 HydrophobicContact CB-CG 4Å; E18-L73 HydrophobicContact CG-CD2 4.49Å
19Y98.2Very high95.7Very high29 Ų2971.6 Ų71.611%0.11433%0.332CS..EExtended strand (participates in β ladder)trans-122155.5-173.3-63.2-92.5000111.5K10 Y11 D13 Y17 Y57 F69 R70K10-Y19 VanDerWaalsContact CA-O 3.25Å; K10-Y19 WeakPolarHBondContact CA-O 3.44Å; Y11-Y19 HydrophobicContact CD2-CD2 4.09Å; Y11-Y19 HydrophobicContact CD2-CG 4.11Å; Y11-Y19 HydrophobicContact CE2-CD1 4.41Å; Y11-Y19 HydrophobicContact CE2-CD2 4.03Å; Y11-Y19 AromaticContact CE2-CG 3.66Å; Y11-Y19 HydrophobicContact CE2-CG 3.66Å; Y11-Y19 PolarHBondContact N-O 2.85Å; Y11-Y19 VanDerWaalsContact N-O 3.13Å; Y11-Y19 PolarHBondContact O-N 3.24Å; D13-Y19 HydrophobicContact CB-CE2 3.87Å; D13-Y19 WeakPolarHBondContact OD2-CE2 3.43Å; D13-Y19 PolarHBondContact OD2-OH 3.12Å; Y17-Y19 VanDerWaalsContact CB-CE2 3.41Å; Y17-Y19 WeakPolarHBondContact CB-OH 3.44Å; Y19-Y57 AromaticContact CD1-CE1 3.87Å; Y19-Y57 HydrophobicContact CD1-CE1 3.87Å; Y19-Y57 AromaticContact CD1-CZ 3.92Å; Y19-Y57 HydrophobicContact CE1-CE1 4.21Å; Y19-Y57 HydrophobicContact CE1-CE2 4.24Å; Y19-Y57 AromaticContact CE1-CZ 3.97Å; Y19-F69 WeakPolarHBondContact CA-O 3.03Å; Y19-R70 HydrophobicContact CD1-CB 3.58Å; Y19-R70 HydrophobicContact CE1-CB 3.59Å; Y19-R70 HydrophobicContact CE1-CG 4.5Å; Y19-R70 HydrophobicContact CG-CB 4.35Å
20R98.1Very high95.4Very high47 Ų4774.4 Ų74.418%0.17734%0.335CS..EExtended strand (participates in β ladder)trans-159150.4172.8167.9176.6-73.2-179.5-3.1109.4S8 V22 W54 F69S8-R20 PolarHBondContact O-NE 3.16Å; S8-R20 PolarHBondContact O-NH2 3.48Å; S8-R20 WeakPolarHBondContact OG-CG 3.47Å; R20-V22 HydrophobicContact CG-CG2 4.42Å; R20-W54 HydrophobicContact CB-CH2 3.7Å; R20-W54 HydrophobicContact CB-CZ2 4.47Å; R20-W54 HydrophobicContact CB-CZ3 3.88Å; R20-F69 PolarHBondContact N-O 2.88Å; R20-F69 PolarHBondContact O-N 3.45Å
21H97.9Very high95.3Very high57 Ų5775.7 Ų75.726%0.26435%0.345SS..EExtended strand (participates in β ladder)trans-112.2145.6166.658.1-94.6000110.9S8 H23 I66 V67 L68S8-H21 WeakPolarHBondContact CB-CE1 3.49Å; S8-H21 WeakPolarHBondContact CB-NE2 3.2Å; S8-H21 WeakPolarHBondContact CB-O 3.46Å; S8-H21 PolarHBondContact N-O 3.29Å; S8-H21 PolarHBondContact OG-N 3.23Å; S8-H21 PolarHBondContact OG-ND1 3.11Å; S8-H21 PolarHBondContact OG-O 2.92Å; H21-H23 AromaticContact CD2-CD2 3.57Å; H21-H23 AromaticContact CD2-NE2 3.22Å; H21-H23 PolarHBondContact CD2-NE2 3.32Å; H21-H23 AromaticContact NE2-NE2 3.59Å; H21-I66 HydrophobicContact CB-CG2 3.9Å; H21-V67 WeakPolarHBondContact CA-O 3.3Å; H21-L68 HydrophobicContact CB-CD2 3.75Å
22V97.6Very high95.2Very high0 Ų071.6 Ų71.60%033%0.332CS..EExtended strand (participates in β ladder)trans-119.9123.1-178177.20000109.1I5 Y6 Y7 R20 L24 I48 I66 V67 F69I5-V22 HydrophobicContact CG2-CG1 3.28Å; Y6-V22 CarbonylContact O-C 3.38Å; Y6-V22 WeakPolarHBondContact O-CA 3.22Å; Y7-V22 HydrophobicContact CD1-CG1 4.31Å; Y7-V22 HydrophobicContact CD1-CG2 3.67Å; Y7-V22 HydrophobicContact CE1-CG1 4.2Å; Y7-V22 HydrophobicContact CE1-CG2 4.03Å; R20-V22 HydrophobicContact CG-CG2 4.42Å; V22-L24 HydrophobicContact CG1-CD2 4.48Å; V22-I48 HydrophobicContact CG1-CD1 4.22Å; V22-I48 HydrophobicContact CG1-CG1 4.13Å; V22-I48 HydrophobicContact CG1-CG2 4.4Å; V22-I48 HydrophobicContact CG2-CG2 4.46Å; V22-I66 WeakPolarHBondContact O-CA 3.42Å; V22-V67 PolarHBondContact N-O 3.44Å; V22-V67 PolarHBondContact O-N 2.91Å; V22-F69 HydrophobicContact CB-CD2 4.3Å; V22-F69 HydrophobicContact CB-CE2 3.95Å; V22-F69 HydrophobicContact CG2-CD2 3.68Å; V22-F69 HydrophobicContact CG2-CE2 3.64Å
23H97Very high95.2Very high55 Ų5566.7 Ų66.726%0.25531%0.31SS..EExtended strand (participates in β ladder)trans-92.4118.9175.7-68.6-110.3000109.9I5 Y6 H21 H65I5-H23 WeakPolarHBondContact CA-O 3.39Å; Y6-H23 HydrophobicContact CD1-CB 4.23Å; Y6-H23 AromaticContact CD1-CD2 3.6Å; Y6-H23 PolarHBondContact N-O 3.3Å; Y6-H23 PolarHBondContact O-N 3.16Å; H21-H23 AromaticContact CD2-CD2 3.57Å; H21-H23 AromaticContact CD2-NE2 3.22Å; H21-H23 PolarHBondContact CD2-NE2 3.32Å; H21-H23 AromaticContact NE2-NE2 3.59Å; H23-H65 CarbonylContact C-O 3.56Å; H23-H65 WeakPolarHBondContact CA-O 3.4Å
24L96.3Very high95.1Very high7 Ų768.9 Ų68.94%0.03733%0.326CS..PPolyproline II helixtrans-88.1142174.8-66.9-179.5000111.2I5 V22 L28 V32 L46 I48 H65 V67I5-L24 HydrophobicContact CD1-CD2 4.01Å; I5-L24 HydrophobicContact CG1-CD2 4Å; I5-L24 HydrophobicContact CG2-CD2 4.31Å; V22-L24 HydrophobicContact CG1-CD2 4.48Å; L24-L28 HydrophobicContact CB-CB 4.28Å; L24-L28 HydrophobicContact CD1-CB 4.44Å; L24-L28 HydrophobicContact CD2-CD1 4.43Å; L24-V32 HydrophobicContact CD1-CG2 3.44Å; L24-V32 VanDerWaalsContact CD1-CG2 3.44Å; L24-L46 HydrophobicContact CD1-CD1 4.19Å; L24-I48 HydrophobicContact CD2-CD1 3.95Å; L24-I48 HydrophobicContact CD2-CG1 3.84Å; L24-H65 PolarHBondContact N-O 2.8Å; L24-V67 HydrophobicContact CD1-CG2 3.75Å; L24-V67 HydrophobicContact CG-CG2 4.19Å
25P95.2Very high95.2Very high12 Ų1265.2 Ų65.28%0.07831%0.313CS..PPolyproline II helixtrans-51.4141.4160.8-26.333.2000111.1R3 Q27 L28 A29R3-P25 WeakPolarHBondContact O-CG 3.2Å; P25-Q27 HydrophobicContact CB-CG 4.14Å; P25-Q27 PolarHBondContact O-N 2.83Å; P25-L28 HydrophobicContact CG-CD1 4.39Å; P25-L28 PolarHBondContact O-N 2.95Å; P25-A29 PolarHBondContact O-N 3.19Å; P25-A29 VanDerWaalsContact O-N 3.16Å
26K90.5Very high95.4Very high148 Ų14863 Ų6364%0.64330%0.298SS*.Hα-helixtrans-50.7-31.3-177.4-69.6-174.2175.9-173.60114.4M1M1-K26 HydrophobicContact SD-CD 4.34Å
27Q92.7Very high95.5Very high126 Ų12666.1 Ų66.159%0.58931%0.312SS*.Hα-helixtrans-67-33.9177.568.6-170.511.900113.2P25P25-Q27 HydrophobicContact CB-CG 4.14Å; P25-Q27 PolarHBondContact O-N 2.83Å
28L94.2Very high95.6Very high37 Ų3764.4 Ų64.419%0.19431%0.305CS..Hα-helixtrans-85.2-29.7178.9-64.6-179.2000111.9I5 L24 P25 R30 L31 L46I5-L28 HydrophobicContact CD1-CD1 4.22Å; I5-L28 HydrophobicContact CG1-CD1 4.38Å; L24-L28 HydrophobicContact CB-CB 4.28Å; L24-L28 HydrophobicContact CD1-CB 4.44Å; L24-L28 HydrophobicContact CD2-CD1 4.43Å; P25-L28 HydrophobicContact CG-CD1 4.39Å; P25-L28 PolarHBondContact O-N 2.95Å; L28-R30 PolarHBondContact O-N 3.08Å; L28-R30 VanDerWaalsContact O-N 3.12Å; L28-L31 HydrophobicContact CD2-CD1 4.2Å; L28-L31 WeakPolarHBondContact O-CB 3.45Å; L28-L31 PolarHBondContact O-N 3.36Å; L28-L46 WeakPolarHBondContact CD1-O 3.38Å
29A92.9Very high95.6Very high15 Ų1566.8 Ų66.812%0.12432%0.322CS..Hα-helixtrans-55.5-31.217800000113.2P25 L31 V32 H65P25-A29 PolarHBondContact O-N 3.19Å; P25-A29 VanDerWaalsContact O-N 3.16Å; A29-L31 PolarHBondContact O-N 3.31Å; A29-V32 WeakPolarHBondContact O-CB 3.38Å; A29-V32 PolarHBondContact O-N 3.02Å; A29-H65 HydrophobicContact CB-CB 3.55Å
30R92.9Very high95.6Very high229 Ų22969.1 Ų69.186%0.86433%0.334SS*.THydrogen-bonded Turntrans-68.2-16.1176.8-63.5-179177.9-175.3-2.5114.2L28L28-R30 PolarHBondContact O-N 3.08Å; L28-R30 VanDerWaalsContact O-N 3.12Å
31L94.7Very high95.5Very high112 Ų11273.8 Ų73.859%0.58636%0.358SS*.THydrogen-bonded Turntrans-94.5-6.5179.2-56.7175.6000112.1L28 A29 P33 L46L28-L31 HydrophobicContact CD2-CD1 4.2Å; L28-L31 WeakPolarHBondContact O-CB 3.45Å; L28-L31 PolarHBondContact O-N 3.36Å; A29-L31 PolarHBondContact O-N 3.31Å; L31-P33 WeakPolarHBondContact O-CD 3.38Å; L31-L46 HydrophobicContact CB-CD2 3.53Å; L31-L46 HydrophobicContact CD1-CD2 3.91Å; L31-L46 HydrophobicContact CG-CD2 4.38Å
32V95.3Very high95.5Very high20 Ų2073.8 Ų73.812%0.12136%0.358CS..SBendtrans-76.4122.8177.4-179.90000108.9L24 A29 M38 L46 V67L24-V32 HydrophobicContact CD1-CG2 3.44Å; L24-V32 VanDerWaalsContact CD1-CG2 3.44Å; A29-V32 WeakPolarHBondContact O-CB 3.38Å; A29-V32 PolarHBondContact O-N 3.02Å; V32-M38 HydrophobicContact CG1-CE 3.96Å; V32-M38 HydrophobicContact CG1-SD 4.49Å; V32-M38 HydrophobicContact CG2-CE 4.39Å; V32-L46 HydrophobicContact CG2-CD1 3.96Å; V32-V67 HydrophobicContact CG2-CG2 4.3Å
33P95.5Very high95.5Very high22 Ų2273.9 Ų73.914%0.14336%0.358CS..  trans-61.8137.9173.3-20.632.7000111.5L31 R36 M38L31-P33 WeakPolarHBondContact O-CD 3.38Å; P33-R36 HydrophobicContact CB-CG 3.8Å; P33-R36 HydrophobicContact CG-CG 4.46Å; P33-M38 HydrophobicContact CG-CG 4.04Å
34T93.9Very high95.5Very high102 Ų10275.7 Ų75.763%0.62636%0.363SS*.SBendtrans-100.1-9.5178.355.10000113.3I59T34-I59 WeakPolarHBondContact O-CD1 3.44Å
35D94.7Very high95.6Very high131 Ų13185.4 Ų85.470%0.70140%0.399SS*.SBendtrans-107-10-174.563.8-37000113.3
36R96.6Very high95.6Very high106 Ų10685.7 Ų85.740%0.440%0.4SS..SBendtrans-155159.7-176.966.1-176.8-177.983.72.8112.7P33 E42P33-R36 HydrophobicContact CB-CG 3.8Å; P33-R36 HydrophobicContact CG-CG 4.46Å; R36-E42 IonicContact CZ-OE1 2.71Å; R36-E42 IonicContact CZ-OE2 3.19Å; R36-E42 VanDerWaalsContact CZ-OE2 3.31Å; R36-E42 VanDerWaalsContact NH1-CD 3.28Å; R36-E42 IonicContact NH1-OE1 3.97Å; R36-E42 PolarHBondContact NH1-OE1 2.97Å; R36-E42 IonicContact NH1-OE2 2.77Å; R36-E42 PolarHBondContact NH1-OE2 3.26Å; R36-E42 VanDerWaalsContact NH2-CD 3.31Å; R36-E42 IonicContact NH2-OE1 2.75Å; R36-E42 PolarHBondContact NH2-OE1 3.04Å; R36-E42 VanDerWaalsContact NH2-OE1 3.16Å; R36-E42 IonicContact NH2-OE2 2.79Å; R36-E42 PolarHBondContact NH2-OE2 2.87Å
37L97.8Very high95.8Very high77 Ų7780 Ų8040%0.40338%0.384SS..PPolyproline II helixtrans-75.5153.2171.4-59.9172.1000110.8H56 I59L37-H56 WeakPolarHBondContact CD1-O 3.38Å; L37-I59 HydrophobicContact CD2-CG1 3.85Å
38M97.7Very high96.1Very high7 Ų774.1 Ų74.13%0.03436%0.356CS..PPolyproline II helixtrans-92.8125.9179.3-71.2-177-70.700110V32 P33 E42 W43 L46 H56 V67V32-M38 HydrophobicContact CG1-CE 3.96Å; V32-M38 HydrophobicContact CG1-SD 4.49Å; V32-M38 HydrophobicContact CG2-CE 4.39Å; P33-M38 HydrophobicContact CG-CG 4.04Å; M38-E42 HydrophobicContact CB-CB 4.1Å; M38-E42 HydrophobicContact CG-CB 4.32Å; M38-W43 HydrophobicContact CB-CB 4.29Å; M38-W43 HydrophobicContact CE-CB 4.15Å; M38-W43 HydrophobicContact SD-CB 4.3Å; M38-L46 HydrophobicContact CE-CD1 4.01Å; M38-L46 HydrophobicContact SD-CD1 3.56Å; M38-L46 VanDerWaalsContact SD-CD1 3.56Å; M38-H56 PolarHBondContact N-ND1 3.45Å; M38-H56 VanDerWaalsContact N-ND1 3.11Å; M38-V67 HydrophobicContact CE-CG1 3.76Å; M38-V67 HydrophobicContact CE-CG2 4.08Å
39P97.6Very high96.2Very high64 Ų6479.6 Ų79.642%0.41638%0.38SS..PPolyproline II helixtrans-67.5167.2167.130.9-35.9000111.2E41 E42 W43P39-E41 VanDerWaalsContact C-N 3.27Å; P39-E41 PolarHBondContact O-N 3.33Å; P39-E42 VanDerWaalsContact CD-OE1 3.31Å; P39-E42 WeakPolarHBondContact CD-OE1 3.49Å; P39-E42 HydrophobicContact CG-CB 4.15Å; P39-E42 HydrophobicContact CG-CG 3.81Å; P39-E42 WeakPolarHBondContact CG-OE1 3.36Å; P39-E42 PolarHBondContact O-N 3.07Å; P39-W43 PolarHBondContact O-N 3.45Å
40E97.8Very high96.4Very high78 Ų7879.8 Ų79.836%0.36438%0.379SS..Hα-helixtrans-49.9-45-178177.1158.5177.900114.1E42 W43 R44E40-E42 VanDerWaalsContact C-N 3.29Å; E40-E42 PolarHBondContact O-N 2.96Å; E40-W43 VanDerWaalsContact CA-CE2 3.48Å; E40-W43 VanDerWaalsContact CA-NE1 3.28Å; E40-W43 HydrophobicContact CB-CZ2 3.86Å; E40-W43 HydrophobicContact CG-CH2 3.87Å; E40-W43 HydrophobicContact CG-CZ2 3.47Å; E40-W43 VanDerWaalsContact CG-CZ2 3.47Å; E40-R44 HydrophobicContact CG-CG 4.34Å; E40-R44 WeakPolarHBondContact O-CB 3.4Å; E40-R44 VanDerWaalsContact O-CG 3.28Å; E40-R44 WeakPolarHBondContact O-CG 3.23Å; E40-R44 PolarHBondContact O-N 2.84Å; E40-R44 VanDerWaalsContact O-N 3.11Å; E40-R44 IonicContact OE1-CZ 3.6Å; E40-R44 IonicContact OE1-NE 3.15Å; E40-R44 PolarHBondContact OE1-NE 2.84Å; E40-R44 IonicContact OE1-NH2 2.74Å; E40-R44 PolarHBondContact OE1-NH2 3.3Å
41E97.4Very high96.5Very high144 Ų14471.8 Ų71.867%0.67336%0.358SS*.Hα-helixtrans-63.1-35.5-178.9-60.5-172.512100113P39 R45P39-E41 VanDerWaalsContact C-N 3.27Å; P39-E41 PolarHBondContact O-N 3.33Å; E41-R45 VanDerWaalsContact O-CG 3.24Å; E41-R45 WeakPolarHBondContact O-CG 3.46Å; E41-R45 PolarHBondContact O-N 3.31Å; E41-R45 VanDerWaalsContact O-N 3.13Å
42E97.4Very high96.5Very high57 Ų5776.7 Ų76.727%0.26637%0.369SS..Hα-helixtrans-74.9-48.6-176.5-75.8-174.2-136.600112.1R36 M38 P39 E40 R44 R45 L46R36-E42 IonicContact CZ-OE1 2.71Å; R36-E42 IonicContact CZ-OE2 3.19Å; R36-E42 VanDerWaalsContact CZ-OE2 3.31Å; R36-E42 VanDerWaalsContact NH1-CD 3.28Å; R36-E42 IonicContact NH1-OE1 3.97Å; R36-E42 PolarHBondContact NH1-OE1 2.97Å; R36-E42 IonicContact NH1-OE2 2.77Å; R36-E42 PolarHBondContact NH1-OE2 3.26Å; R36-E42 VanDerWaalsContact NH2-CD 3.31Å; R36-E42 IonicContact NH2-OE1 2.75Å; R36-E42 PolarHBondContact NH2-OE1 3.04Å; R36-E42 VanDerWaalsContact NH2-OE1 3.16Å; R36-E42 IonicContact NH2-OE2 2.79Å; R36-E42 PolarHBondContact NH2-OE2 2.87Å; M38-E42 HydrophobicContact CB-CB 4.1Å; M38-E42 HydrophobicContact CG-CB 4.32Å; P39-E42 VanDerWaalsContact CD-OE1 3.31Å; P39-E42 WeakPolarHBondContact CD-OE1 3.49Å; P39-E42 HydrophobicContact CG-CB 4.15Å; P39-E42 HydrophobicContact CG-CG 3.81Å; P39-E42 WeakPolarHBondContact CG-OE1 3.36Å; P39-E42 PolarHBondContact O-N 3.07Å; E40-E42 VanDerWaalsContact C-N 3.29Å; E40-E42 PolarHBondContact O-N 2.96Å; E42-R44 VanDerWaalsContact C-N 3.26Å; E42-R44 PolarHBondContact O-N 2.8Å; E42-R45 WeakPolarHBondContact O-CB 3.4Å; E42-R45 PolarHBondContact O-N 3.34Å; E42-R45 VanDerWaalsContact O-N 3.08Å; E42-L46 PolarHBondContact O-N 3.22Å
43W97.7Very high96.5Very high2 Ų278.1 Ų78.11%0.00839%0.388CS..Hα-helixtrans-68.7-28.7178.759.3-112.1000111.9M38 P39 E40 L46 I48 Q50 F69M38-W43 HydrophobicContact CB-CB 4.29Å; M38-W43 HydrophobicContact CE-CB 4.15Å; M38-W43 HydrophobicContact SD-CB 4.3Å; P39-W43 PolarHBondContact O-N 3.45Å; E40-W43 VanDerWaalsContact CA-CE2 3.48Å; E40-W43 VanDerWaalsContact CA-NE1 3.28Å; E40-W43 HydrophobicContact CB-CZ2 3.86Å; E40-W43 HydrophobicContact CG-CH2 3.87Å; E40-W43 HydrophobicContact CG-CZ2 3.47Å; E40-W43 VanDerWaalsContact CG-CZ2 3.47Å; W43-L46 WeakPolarHBondContact O-CB 3.32Å; W43-L46 PolarHBondContact O-N 2.89Å; W43-I48 HydrophobicContact CB-CD1 4.11Å; W43-I48 HydrophobicContact CE3-CB 3.97Å; W43-I48 HydrophobicContact CE3-CG2 3.9Å; W43-I48 HydrophobicContact CZ3-CG2 4.33Å; W43-I48 WeakPolarHBondContact O-CB 3.36Å; W43-I48 PolarHBondContact O-N 2.97Å; W43-Q50 HydrophobicContact CH2-CG 3.76Å; W43-Q50 HydrophobicContact CZ3-CG 3.81Å; W43-F69 HydrophobicContact CB-CE1 4.38Å; W43-F69 HydrophobicContact CB-CZ 4.12Å; W43-F69 AromaticContact CD1-CE1 3.73Å; W43-F69 AromaticContact CD2-CE1 3.93Å; W43-F69 HydrophobicContact CD2-CE1 3.93Å; W43-F69 HydrophobicContact CD2-CZ 4.22Å; W43-F69 AromaticContact CE2-CE1 3.94Å; W43-F69 AromaticContact CG-CE1 3.8Å; W43-F69 HydrophobicContact CG-CE1 3.8Å; W43-F69 AromaticContact CG-CZ 4Å; W43-F69 HydrophobicContact CG-CZ 4Å; W43-F69 AromaticContact NE1-CE1 3.73Å
44R97.4Very high96.7Very high94 Ų9477.4 Ų77.436%0.35538%0.382SS..Hα-helixtrans-65.4-36.3170.1-75.4-168.6-175.5-72.8-2.3112.3E40 E42 L46 G47 Q50E40-R44 HydrophobicContact CG-CG 4.34Å; E40-R44 WeakPolarHBondContact O-CB 3.4Å; E40-R44 VanDerWaalsContact O-CG 3.28Å; E40-R44 WeakPolarHBondContact O-CG 3.23Å; E40-R44 PolarHBondContact O-N 2.84Å; E40-R44 VanDerWaalsContact O-N 3.11Å; E40-R44 IonicContact OE1-CZ 3.6Å; E40-R44 IonicContact OE1-NE 3.15Å; E40-R44 PolarHBondContact OE1-NE 2.84Å; E40-R44 IonicContact OE1-NH2 2.74Å; E40-R44 PolarHBondContact OE1-NH2 3.3Å; E42-R44 VanDerWaalsContact C-N 3.26Å; E42-R44 PolarHBondContact O-N 2.8Å; R44-L46 VanDerWaalsContact C-N 3.25Å; R44-L46 PolarHBondContact O-N 3.32Å; R44-G47 WeakPolarHBondContact O-CA 3.28Å; R44-G47 PolarHBondContact O-N 2.96Å; R44-Q50 PolarHBondContact NH1-O 2.83Å; R44-Q50 PolarHBondContact NH2-O 3.28Å
45R96.8Very high96.8Very high210 Ų21076.3 Ų76.379%0.79237%0.37SS*.Hα-helixtrans-65.4-26.6174.8-75.8171.7-169.3-86.11.5113.1E41 E42 G47E41-R45 VanDerWaalsContact O-CG 3.24Å; E41-R45 WeakPolarHBondContact O-CG 3.46Å; E41-R45 PolarHBondContact O-N 3.31Å; E41-R45 VanDerWaalsContact O-N 3.13Å; E42-R45 WeakPolarHBondContact O-CB 3.4Å; E42-R45 PolarHBondContact O-N 3.34Å; E42-R45 VanDerWaalsContact O-N 3.08Å; R45-G47 PolarHBondContact O-N 3.11Å
46L95.6Very high97Very high19 Ų1970.7 Ų70.710%0.09934%0.339CS..THydrogen-bonded Turntrans-72.4-6.8170.6-62.5179.6000113.1L24 L28 L31 V32 M38 E42 W43 R44L24-L46 HydrophobicContact CD1-CD1 4.19Å; L28-L46 WeakPolarHBondContact CD1-O 3.38Å; L31-L46 HydrophobicContact CB-CD2 3.53Å; L31-L46 HydrophobicContact CD1-CD2 3.91Å; L31-L46 HydrophobicContact CG-CD2 4.38Å; V32-L46 HydrophobicContact CG2-CD1 3.96Å; M38-L46 HydrophobicContact CE-CD1 4.01Å; M38-L46 HydrophobicContact SD-CD1 3.56Å; M38-L46 VanDerWaalsContact SD-CD1 3.56Å; E42-L46 PolarHBondContact O-N 3.22Å; W43-L46 WeakPolarHBondContact O-CB 3.32Å; W43-L46 PolarHBondContact O-N 2.89Å; R44-L46 VanDerWaalsContact C-N 3.25Å; R44-L46 PolarHBondContact O-N 3.32Å
47G96Very high97Very high29 Ų2968.2 Ų68.230%0.29933%0.33SS..THydrogen-bonded Turntrans90.35.3-177.900000114.1I5 R44 R45 Q49I5-G47 VanDerWaalsContact CD1-C 3.47Å; I5-G47 WeakPolarHBondContact CD1-O 3.46Å; R44-G47 WeakPolarHBondContact O-CA 3.28Å; R44-G47 PolarHBondContact O-N 2.96Å; R45-G47 PolarHBondContact O-N 3.11Å; G47-Q49 PolarHBondContact O-N 3.13Å
48I97.2Very high97Very high1 Ų169.1 Ų69.11%0.00533%0.334CS..  trans-66.7124.4172.8-60.9172.9000108.3I5 Y7 V22 L24 W43 V67 F69I5-I48 HydrophobicContact CD1-CG1 4.29Å; Y7-I48 HydrophobicContact CE1-CG2 4.1Å; V22-I48 HydrophobicContact CG1-CD1 4.22Å; V22-I48 HydrophobicContact CG1-CG1 4.13Å; V22-I48 HydrophobicContact CG1-CG2 4.4Å; V22-I48 HydrophobicContact CG2-CG2 4.46Å; L24-I48 HydrophobicContact CD2-CD1 3.95Å; L24-I48 HydrophobicContact CD2-CG1 3.84Å; W43-I48 HydrophobicContact CB-CD1 4.11Å; W43-I48 HydrophobicContact CE3-CB 3.97Å; W43-I48 HydrophobicContact CE3-CG2 3.9Å; W43-I48 HydrophobicContact CZ3-CG2 4.33Å; W43-I48 WeakPolarHBondContact O-CB 3.36Å; W43-I48 PolarHBondContact O-N 2.97Å; I48-V67 HydrophobicContact CD1-CB 4.48Å; I48-V67 HydrophobicContact CD1-CG2 4.32Å; I48-F69 HydrophobicContact CD1-CE2 4.06Å; I48-F69 HydrophobicContact CD1-CZ 3.87Å; I48-F69 HydrophobicContact CG2-CE2 4.16Å; I48-F69 HydrophobicContact CG2-CZ 4.06Å
49Q96.7Very high96.8Very high152 Ų15271.4 Ų71.471%0.7135%0.345SS*.  trans-122.2113.8-177.2-71.8177.474.700109.7Y7 G47Y7-Q49 VanDerWaalsContact CE1-O 3.3Å; Y7-Q49 WeakPolarHBondContact CE1-O 3.24Å; Y7-Q49 PolarHBondContact OH-N 3.11Å; Y7-Q49 PolarHBondContact OH-O 3.38Å; G47-Q49 PolarHBondContact O-N 3.13Å
50Q96.6Very high96.6Very high20 Ų2071.9 Ų71.99%0.09334%0.341CS..  trans-148.4168.8174.559.5-165.79.400110W43 R44 W54 F69W43-Q50 HydrophobicContact CH2-CG 3.76Å; W43-Q50 HydrophobicContact CZ3-CG 3.81Å; R44-Q50 PolarHBondContact NH1-O 2.83Å; R44-Q50 PolarHBondContact NH2-O 3.28Å; Q50-W54 HydrophobicContact CG-CB 4.05Å; Q50-W54 HydrophobicContact CG-CG 3.93Å; Q50-F69 VanDerWaalsContact NE2-CE1 3.31Å
51S96Very high96.2Very high60 Ų6076 Ų7642%0.4236%0.36SS..  trans-60.3175.5176.2540000111.9W54 R71S51-W54 PolarHBondContact OG-NE1 3.48Å; S51-W54 VanDerWaalsContact OG-NE1 3.14Å; S51-R71 PolarHBondContact OG-NH1 2.9Å
52R94.8Very high96Very high216 Ų21673.9 Ų73.982%0.81536%0.359SS*.THydrogen-bonded Turntrans-71.9158.7177.3-64.2-178.2-179.7179-0.7111.6
53G95.9Very high95.8Very high50 Ų5074.9 Ų74.952%0.51536%0.364SS..THydrogen-bonded Turntrans88.8-3.4170.700000115.2R71G53-R71 WeakPolarHBondContact O-CB 3.02Å
54W98.1Very high95.5Very high6 Ų677.7 Ų77.72%0.02338%0.382CS..  trans-76.9131.6173.2-69.9100.1000111.6K10 E18 R20 Q50 S51 F69 R70 R71K10-W54 HydrophobicContact CD-CH2 4.31Å; K10-W54 HydrophobicContact CD-CZ2 4.07Å; E18-W54 HydrophobicContact CG-CH2 4.13Å; E18-W54 VanDerWaalsContact O-CZ3 3.3Å; E18-W54 WeakPolarHBondContact O-CZ3 3.37Å; E18-W54 WeakPolarHBondContact OE2-CH2 3.2Å; E18-W54 WeakPolarHBondContact OE2-CZ2 3.45Å; R20-W54 HydrophobicContact CB-CH2 3.7Å; R20-W54 HydrophobicContact CB-CZ2 4.47Å; R20-W54 HydrophobicContact CB-CZ3 3.88Å; Q50-W54 HydrophobicContact CG-CB 4.05Å; Q50-W54 HydrophobicContact CG-CG 3.93Å; S51-W54 PolarHBondContact OG-NE1 3.48Å; S51-W54 VanDerWaalsContact OG-NE1 3.14Å; W54-F69 HydrophobicContact CB-CD1 4.36Å; W54-F69 HydrophobicContact CD2-CB 4.38Å; W54-F69 HydrophobicContact CE3-CB 3.59Å; W54-F69 HydrophobicContact CZ3-CB 4.13Å; W54-R70 CarbonylContact C-O 3.59Å; W54-R70 WeakPolarHBondContact CA-O 3.49Å; W54-R71 HydrophobicContact CD2-CB 4.21Å; W54-R71 HydrophobicContact CD2-CG 4Å; W54-R71 HydrophobicContact CE3-CB 4.16Å; W54-R71 HydrophobicContact CE3-CG 4.03Å; W54-R71 HydrophobicContact CG-CB 4.46Å; W54-R71 HydrophobicContact CH2-CG 4.34Å; W54-R71 HydrophobicContact CZ2-CG 4.29Å; W54-R71 HydrophobicContact CZ3-CG 4.21Å
55E97.8Very high95.3Very high80 Ų8076 Ų7637%0.37438%0.378SS..EExtended strand (participates in β ladder)trans-118.8138.9175.763.4-179.316000110.5Y57 F69 R70E55-Y57 PolarHBondContact O-N 3.04Å; E55-F69 CarbonylContact O-C 3.54Å; E55-F69 VanDerWaalsContact O-CA 3.23Å; E55-F69 WeakPolarHBondContact O-CA 3.36Å; E55-R70 HydrophobicContact CG-CG 3.64Å; E55-R70 WeakPolarHBondContact CG-O 3.49Å; E55-R70 PolarHBondContact N-O 2.75Å; E55-R70 PolarHBondContact O-N 3.19Å; E55-R70 WeakPolarHBondContact OE1-CG 3.29Å; E55-R70 IonicContact OE1-CZ 3.4Å; E55-R70 IonicContact OE1-NE 3.31Å; E55-R70 PolarHBondContact OE1-NE 3.33Å; E55-R70 IonicContact OE1-NH2 3.16Å; E55-R70 PolarHBondContact OE1-NH2 3.28Å; E55-R70 IonicContact OE2-NH2 3.03Å
56H98.1Very high95.3Very high12 Ų1267 Ų676%0.05635%0.345CS..EExtended strand (participates in β ladder)trans-73.9111.5168.5176.3-164000107.2L37 M38 M58 L68 F69L37-H56 WeakPolarHBondContact CD1-O 3.38Å; M38-H56 PolarHBondContact N-ND1 3.45Å; M38-H56 VanDerWaalsContact N-ND1 3.11Å; H56-M58 PolarHBondContact CD2-O 2.73Å; H56-M58 PolarHBondContact NE2-O 3.13Å; H56-M58 VanDerWaalsContact NE2-O 3.11Å; H56-L68 WeakPolarHBondContact CA-O 3.11Å; H56-L68 PolarHBondContact CD2-O 3.02Å; H56-L68 VanDerWaalsContact CD2-O 3.29Å; H56-F69 HydrophobicContact CB-CD1 4.31Å; H56-F69 HydrophobicContact CB-CE1 4.04Å
57Y97.4Very high95.4Very high54 Ų5466.1 Ų66.121%0.21234%0.341CS..EExtended strand (participates in β ladder)trans-106.9-18.7-165.780.3-84000114.8Y19 E55 L68 R70Y19-Y57 AromaticContact CD1-CE1 3.87Å; Y19-Y57 HydrophobicContact CD1-CE1 3.87Å; Y19-Y57 AromaticContact CD1-CZ 3.92Å; Y19-Y57 HydrophobicContact CE1-CE1 4.21Å; Y19-Y57 HydrophobicContact CE1-CE2 4.24Å; Y19-Y57 AromaticContact CE1-CZ 3.97Å; E55-Y57 PolarHBondContact O-N 3.04Å; Y57-L68 HydrophobicContact CD1-CB 4.05Å; Y57-L68 WeakPolarHBondContact CD1-O 3.25Å; Y57-L68 HydrophobicContact CE1-CB 3.53Å; Y57-L68 PolarHBondContact N-O 3.14Å; Y57-L68 VanDerWaalsContact N-O 3.16Å; Y57-R70 HydrophobicContact CD1-CB 3.87Å; Y57-R70 HydrophobicContact CD1-CG 4.09Å; Y57-R70 HydrophobicContact CE1-CB 4.33Å; Y57-R70 HydrophobicContact CG-CB 4.22Å; Y57-R70 HydrophobicContact CG-CG 3.97Å
58M95.9Very high95.5Very high97 Ų9765.6 Ų65.648%0.47833%0.331SS..EExtended strand (participates in β ladder)trans-154137.6-176-177.9-179.5-67.900111H56 L68H56-M58 PolarHBondContact CD2-O 2.73Å; H56-M58 PolarHBondContact NE2-O 3.13Å; H56-M58 VanDerWaalsContact NE2-O 3.11Å; M58-L68 HydrophobicContact CB-CD1 4.04Å; M58-L68 HydrophobicContact CG-CD1 4.18Å; M58-L68 HydrophobicContact SD-CD1 4.17Å
59I95.4Very high95.5Very high55 Ų5565.6 Ų65.628%0.28233%0.331SS..  trans-83.9123.4171.8-57-179.9000108.5T34 L37 E61T34-I59 WeakPolarHBondContact O-CD1 3.44Å; L37-I59 HydrophobicContact CD2-CG1 3.85Å; I59-E61 HydrophobicContact CG2-CG 4.4Å; I59-E61 PolarHBondContact O-N 2.98Å
60F92.2Very high95.6Very high74 Ų7461.8 Ų61.833%0.32531%0.31SS..  trans-96.787.5174.8-169.3-122000110.3P62 E63 I66 L68F60-P62 HydrophobicContact CE1-CB 4.29Å; F60-P62 HydrophobicContact CE2-CG 4.13Å; F60-P62 HydrophobicContact CZ-CB 4.22Å; F60-P62 HydrophobicContact CZ-CG 4.13Å; F60-E63 HydrophobicContact CD1-CB 3.74Å; F60-E63 HydrophobicContact CD1-CG 4.45Å; F60-E63 HydrophobicContact CE1-CB 3.71Å; F60-E63 HydrophobicContact CE1-CG 3.93Å; F60-E63 CarbonylContact O-C 3.4Å; F60-E63 PolarHBondContact O-N 3.36Å; F60-I66 HydrophobicContact CD1-CB 4.22Å; F60-I66 HydrophobicContact CD1-CD1 4.37Å; F60-I66 HydrophobicContact CE1-CD1 4.27Å; F60-L68 HydrophobicContact CB-CD1 3.98Å; F60-L68 HydrophobicContact CB-CG 4.27Å
61E90.2Very high95.6Very high164 Ų16463.4 Ų63.477%0.76632%0.315SS*.THydrogen-bonded Turntrans-54-39.2-174.5-62.8-172.9117.100115.2I59 E63I59-E61 HydrophobicContact CG2-CG 4.4Å; I59-E61 PolarHBondContact O-N 2.98Å; E61-E63 VanDerWaalsContact C-N 3.27Å; E61-E63 PolarHBondContact O-N 3.01Å
62P92.4Very high95.6Very high99 Ų9967.5 Ų67.564%0.64333%0.326SS*.THydrogen-bonded Turntrans-63.2-32.5-178.3-25.336.4000113.7F60F60-P62 HydrophobicContact CE1-CB 4.29Å; F60-P62 HydrophobicContact CE2-CG 4.13Å; F60-P62 HydrophobicContact CZ-CB 4.22Å; F60-P62 HydrophobicContact CZ-CG 4.13Å
63E93.4Very high95.5Very high79 Ų7959.2 Ų59.237%0.36930%0.298SS..  trans-136.783.4-175-62-174.9-106.300111F60 E61 H65 I66F60-E63 HydrophobicContact CD1-CB 3.74Å; F60-E63 HydrophobicContact CD1-CG 4.45Å; F60-E63 HydrophobicContact CE1-CB 3.71Å; F60-E63 HydrophobicContact CE1-CG 3.93Å; F60-E63 CarbonylContact O-C 3.4Å; F60-E63 PolarHBondContact O-N 3.36Å; E61-E63 VanDerWaalsContact C-N 3.27Å; E61-E63 PolarHBondContact O-N 3.01Å; E63-H65 PolarHBondContact O-N 2.86Å; E63-H65 IonicContact OE2-CE1 3.26Å; E63-H65 PolarHBondContact OE2-CE1 3.46Å; E63-H65 IonicContact OE2-NE2 2.67Å; E63-I66 HydrophobicContact CB-CB 4.45Å; E63-I66 HydrophobicContact CB-CD1 3.81Å; E63-I66 HydrophobicContact CB-CG1 3.95Å; E63-I66 HydrophobicContact CG-CD1 4.37Å; E63-I66 WeakPolarHBondContact O-CB 3.41Å; E63-I66 PolarHBondContact O-N 2.82Å
64P90.8Very high94.9Very high60 Ų6065.3 Ų65.339%0.3931%0.305SS..THydrogen-bonded Turntrans-61.5-13.5-176.8-24.633.7000115I66P64-I66 VanDerWaalsContact C-N 3.25Å
65H93.8Very high93.4Very high59 Ų5969.6 Ų69.627%0.27333%0.328SS..THydrogen-bonded Turntrans-82.8-3.3175.470.2-79000112.6H23 L24 A29 E63H23-H65 CarbonylContact C-O 3.56Å; H23-H65 WeakPolarHBondContact CA-O 3.4Å; L24-H65 PolarHBondContact N-O 2.8Å; A29-H65 HydrophobicContact CB-CB 3.55Å; E63-H65 PolarHBondContact O-N 2.86Å; E63-H65 IonicContact OE2-CE1 3.26Å; E63-H65 PolarHBondContact OE2-CE1 3.46Å; E63-H65 IonicContact OE2-NE2 2.67Å
66I96.5Very high91.6Very high20 Ų2073.9 Ų73.910%0.10335%0.348CS..EExtended strand (participates in β ladder)trans-105.9117.1173.9-56.7-177.4000108H21 V22 F60 E63 P64 L68H21-I66 HydrophobicContact CB-CG2 3.9Å; V22-I66 WeakPolarHBondContact O-CA 3.42Å; F60-I66 HydrophobicContact CD1-CB 4.22Å; F60-I66 HydrophobicContact CD1-CD1 4.37Å; F60-I66 HydrophobicContact CE1-CD1 4.27Å; E63-I66 HydrophobicContact CB-CB 4.45Å; E63-I66 HydrophobicContact CB-CD1 3.81Å; E63-I66 HydrophobicContact CB-CG1 3.95Å; E63-I66 HydrophobicContact CG-CD1 4.37Å; E63-I66 WeakPolarHBondContact O-CB 3.41Å; E63-I66 PolarHBondContact O-N 2.82Å; P64-I66 VanDerWaalsContact C-N 3.25Å; I66-L68 HydrophobicContact CG2-CD2 3.91Å
67V97.3Very high89.5Confident1 Ų182 Ų821%0.00638%0.383CS..EExtended strand (participates in β ladder)trans-105.2125.6176.3-1720000109.1H21 V22 L24 V32 M38 I48 F69H21-V67 WeakPolarHBondContact CA-O 3.3Å; V22-V67 PolarHBondContact N-O 3.44Å; V22-V67 PolarHBondContact O-N 2.91Å; L24-V67 HydrophobicContact CD1-CG2 3.75Å; L24-V67 HydrophobicContact CG-CG2 4.19Å; V32-V67 HydrophobicContact CG2-CG2 4.3Å; M38-V67 HydrophobicContact CE-CG1 3.76Å; M38-V67 HydrophobicContact CE-CG2 4.08Å; I48-V67 HydrophobicContact CD1-CB 4.48Å; I48-V67 HydrophobicContact CD1-CG2 4.32Å; V67-F69 HydrophobicContact CB-CE2 3.78Å; V67-F69 HydrophobicContact CB-CZ 4.27Å; V67-F69 HydrophobicContact CG1-CD2 4.19Å; V67-F69 HydrophobicContact CG1-CE1 4.29Å; V67-F69 HydrophobicContact CG1-CE2 3.45Å; V67-F69 VanDerWaalsContact CG1-CE2 3.45Å; V67-F69 HydrophobicContact CG1-CZ 3.51Å
68L98Very high87.3Confident19 Ų1983.9 Ų83.910%0.09940%0.401CS..EExtended strand (participates in β ladder)trans-96.2122.8-174.7-56.8-178.3000110.9H21 H56 Y57 M58 F60 I66H21-L68 HydrophobicContact CB-CD2 3.75Å; H56-L68 WeakPolarHBondContact CA-O 3.11Å; H56-L68 PolarHBondContact CD2-O 3.02Å; H56-L68 VanDerWaalsContact CD2-O 3.29Å; Y57-L68 HydrophobicContact CD1-CB 4.05Å; Y57-L68 WeakPolarHBondContact CD1-O 3.25Å; Y57-L68 HydrophobicContact CE1-CB 3.53Å; Y57-L68 PolarHBondContact N-O 3.14Å; Y57-L68 VanDerWaalsContact N-O 3.16Å; M58-L68 HydrophobicContact CB-CD1 4.04Å; M58-L68 HydrophobicContact CG-CD1 4.18Å; M58-L68 HydrophobicContact SD-CD1 4.17Å; F60-L68 HydrophobicContact CB-CD1 3.98Å; F60-L68 HydrophobicContact CB-CG 4.27Å; I66-L68 HydrophobicContact CG2-CD2 3.91Å
69F98.6Very high85Confident0 Ų082.7 Ų82.70%040%0.396CS..EExtended strand (participates in β ladder)trans-116.9146.2179.4-65.9-84.1000111.8Y19 R20 V22 W43 I48 Q50 W54 E55 H56 V67Y19-F69 WeakPolarHBondContact CA-O 3.03Å; R20-F69 PolarHBondContact N-O 2.88Å; R20-F69 PolarHBondContact O-N 3.45Å; V22-F69 HydrophobicContact CB-CD2 4.3Å; V22-F69 HydrophobicContact CB-CE2 3.95Å; V22-F69 HydrophobicContact CG2-CD2 3.68Å; V22-F69 HydrophobicContact CG2-CE2 3.64Å; W43-F69 HydrophobicContact CB-CE1 4.38Å; W43-F69 HydrophobicContact CB-CZ 4.12Å; W43-F69 AromaticContact CD1-CE1 3.73Å; W43-F69 AromaticContact CD2-CE1 3.93Å; W43-F69 HydrophobicContact CD2-CE1 3.93Å; W43-F69 HydrophobicContact CD2-CZ 4.22Å; W43-F69 AromaticContact CE2-CE1 3.94Å; W43-F69 AromaticContact CG-CE1 3.8Å; W43-F69 HydrophobicContact CG-CE1 3.8Å; W43-F69 AromaticContact CG-CZ 4Å; W43-F69 HydrophobicContact CG-CZ 4Å; W43-F69 AromaticContact NE1-CE1 3.73Å; I48-F69 HydrophobicContact CD1-CE2 4.06Å; I48-F69 HydrophobicContact CD1-CZ 3.87Å; I48-F69 HydrophobicContact CG2-CE2 4.16Å; I48-F69 HydrophobicContact CG2-CZ 4.06Å; Q50-F69 VanDerWaalsContact NE2-CE1 3.31Å; W54-F69 HydrophobicContact CB-CD1 4.36Å; W54-F69 HydrophobicContact CD2-CB 4.38Å; W54-F69 HydrophobicContact CE3-CB 3.59Å; W54-F69 HydrophobicContact CZ3-CB 4.13Å; E55-F69 CarbonylContact O-C 3.54Å; E55-F69 VanDerWaalsContact O-CA 3.23Å; E55-F69 WeakPolarHBondContact O-CA 3.36Å; H56-F69 HydrophobicContact CB-CD1 4.31Å; H56-F69 HydrophobicContact CB-CE1 4.04Å; V67-F69 HydrophobicContact CB-CE2 3.78Å; V67-F69 HydrophobicContact CB-CZ 4.27Å; V67-F69 HydrophobicContact CG1-CD2 4.19Å; V67-F69 HydrophobicContact CG1-CE1 4.29Å; V67-F69 HydrophobicContact CG1-CE2 3.45Å; V67-F69 VanDerWaalsContact CG1-CE2 3.45Å; V67-F69 HydrophobicContact CG1-CZ 3.51Å
70R98.1Very high83Confident72 Ų7287.3 Ų87.327%0.27242%0.416SS..EExtended strand (participates in β ladder)trans-132.2161.7165.277.8-173.6178.3-174.3-4.6110.2Y17 E18 Y19 W54 E55 Y57Y17-R70 HydrophobicContact CD1-CB 4.26Å; Y17-R70 HydrophobicContact CD1-CG 3.92Å; Y17-R70 HydrophobicContact CE1-CG 4.27Å; E18-R70 CarbonylContact O-C 3.59Å; E18-R70 WeakPolarHBondContact O-CA 3.3Å; Y19-R70 HydrophobicContact CD1-CB 3.58Å; Y19-R70 HydrophobicContact CE1-CB 3.59Å; Y19-R70 HydrophobicContact CE1-CG 4.5Å; Y19-R70 HydrophobicContact CG-CB 4.35Å; W54-R70 CarbonylContact C-O 3.59Å; W54-R70 WeakPolarHBondContact CA-O 3.49Å; E55-R70 HydrophobicContact CG-CG 3.64Å; E55-R70 WeakPolarHBondContact CG-O 3.49Å; E55-R70 PolarHBondContact N-O 2.75Å; E55-R70 PolarHBondContact O-N 3.19Å; E55-R70 WeakPolarHBondContact OE1-CG 3.29Å; E55-R70 IonicContact OE1-CZ 3.4Å; E55-R70 IonicContact OE1-NE 3.31Å; E55-R70 PolarHBondContact OE1-NE 3.33Å; E55-R70 IonicContact OE1-NH2 3.16Å; E55-R70 PolarHBondContact OE1-NH2 3.28Å; E55-R70 IonicContact OE2-NH2 3.03Å; Y57-R70 HydrophobicContact CD1-CB 3.87Å; Y57-R70 HydrophobicContact CD1-CG 4.09Å; Y57-R70 HydrophobicContact CE1-CB 4.33Å; Y57-R70 HydrophobicContact CG-CB 4.22Å; Y57-R70 HydrophobicContact CG-CG 3.97Å
71R97.3Very high81Confident54 Ų5491 Ų9120%0.20443%0.434CS..EExtended strand (participates in β ladder)trans-147.3148.2164.863.8178178.3154.513.9110K10 Y17 E18 S51 G53 W54 L73K10-R71 VanDerWaalsContact NZ-NH2 3.14Å; Y17-R71 WeakPolarHBondContact CA-O 3.41Å; E18-R71 HydrophobicContact CB-CG 4.11Å; E18-R71 PolarHBondContact N-O 2.79Å; E18-R71 PolarHBondContact O-N 2.88Å; E18-R71 IonicContact OE1-NH2 3.32Å; E18-R71 PolarHBondContact OE1-NH2 3.42Å; E18-R71 IonicContact OE2-CZ 3.01Å; E18-R71 IonicContact OE2-NE 2.62Å; E18-R71 PolarHBondContact OE2-NE 2.71Å; E18-R71 IonicContact OE2-NH2 3.44Å; E18-R71 PolarHBondContact OE2-NH2 2.97Å; S51-R71 PolarHBondContact OG-NH1 2.9Å; G53-R71 WeakPolarHBondContact O-CB 3.02Å; W54-R71 HydrophobicContact CD2-CB 4.21Å; W54-R71 HydrophobicContact CD2-CG 4Å; W54-R71 HydrophobicContact CE3-CB 4.16Å; W54-R71 HydrophobicContact CE3-CG 4.03Å; W54-R71 HydrophobicContact CG-CB 4.46Å; W54-R71 HydrophobicContact CH2-CG 4.34Å; W54-R71 HydrophobicContact CZ2-CG 4.29Å; W54-R71 HydrophobicContact CZ3-CG 4.21Å; R71-L73 PolarHBondContact O-N 3.26Å
72K95.6Very high79.1Confident146 Ų14690.5 Ų90.564%0.63543%0.432SS*.EExtended strand (participates in β ladder)trans-71.5128173.7-163.9165.4-171163.30109.9Y17Y17-K72 HydrophobicContact CE1-CB 4.25Å
73L91.9Very high77.1Confident43 Ų4393.6 Ų93.623%0.22544%0.435CS..  trans-71.4137.6169.1-68.2170.8000108.6E12 G16 E18 R71 N75E12-L73 HydrophobicContact CB-CD1 4.4Å; E12-L73 HydrophobicContact CG-CD1 3.94Å; G16-L73 WeakPolarHBondContact O-CB 3.4Å; G16-L73 PolarHBondContact O-N 2.67Å; E18-L73 HydrophobicContact CB-CD1 4.34Å; E18-L73 HydrophobicContact CB-CD2 3.8Å; E18-L73 HydrophobicContact CB-CG 4Å; E18-L73 HydrophobicContact CG-CD2 4.49Å; R71-L73 PolarHBondContact O-N 3.26Å; L73-N75 PolarHBondContact O-N 2.62Å
74R83.3Confident75.2Confident177 Ų17793.6 Ų93.667%0.66845%0.449SS*.  trans-70.2104.3169.7-175.7179.5-174-175.21.5105.9E76 N79R74-E76 PolarHBondContact O-N 3.26Å; R74-N79 PolarHBondContact NH2-OD1 2.96Å
75N67.7Low73.4Confident97 Ų9797.7 Ų97.752%0.51947%0.468SS..  trans-53.1109.8169.3-74.6-11.3000107.7L73 K77 V78L73-N75 PolarHBondContact O-N 2.62Å; N75-K77 PolarHBondContact O-N 3.13Å; N75-V78 PolarHBondContact O-N 2.9Å
76E59.7Low71.3Confident169 Ų16997.9 Ų97.979%0.7949%0.485SS*.G310 helixtrans-61.1-12.3-179.2-75.1-177123.100112.2R74 V78 N79R74-E76 PolarHBondContact O-N 3.26Å; E76-V78 PolarHBondContact O-N 3.12Å; E76-N79 PolarHBondContact O-N 3Å; E76-N79 VanDerWaalsContact O-N 3.12Å
77K53.2Low69Low182 Ų182105 Ų10579%0.79152%0.518SS*.G310 helixtrans-61.4-7.8176.6-61.5-163.8176.9-174.30115.9N75N75-K77 PolarHBondContact O-N 3.13Å
78V52.2Low66.8Low95 Ų95113 Ų11358%0.57656%0.557SS**G310 helixtrans-98-2.7176.6-174.10000113.2N75 E76N75-V78 PolarHBondContact O-N 2.9Å; E76-V78 PolarHBondContact O-N 3.12Å
79N48.2Very low64.7Low71 Ų71120.6 Ų120.638%0.3859%0.589SS.*SBendtrans-108-1.6-176.6-108.523.4000115.3R74 E76R74-N79 PolarHBondContact NH2-OD1 2.96Å; E76-N79 PolarHBondContact O-N 3Å; E76-N79 VanDerWaalsContact O-N 3.12Å
80E52Low62.6Low152 Ų152129.5 Ų129.571%0.7163%0.631SS**SBendtrans-86-34.1176.1-69.1-178153.600112.5H82 K83 A84E80-H82 VanDerWaalsContact C-N 3.33Å; E80-H82 PolarHBondContact O-N 3.26Å; E80-K83 PolarHBondContact O-N 3.23Å; E80-A84 PolarHBondContact O-N 3.36Å
81E50.2Low60.2Low151 Ų151134.3 Ų134.371%0.70666%0.656SS**Hα-helixtrans-68.4-27.8178.5-71.9-176.7146.300113.7
82H50.3Low58.3Low155 Ų155142.9 Ų142.972%0.71869%0.689SS**Hα-helixtrans-83.3-14176.4-76.798.9000113.9E80E80-H82 VanDerWaalsContact C-N 3.33Å; E80-H82 PolarHBondContact O-N 3.26Å
83K50.5Low56.4Low163 Ų163142.4 Ų142.471%0.70970%0.698SS**Hα-helixtrans-90.2-26.3173.1-72.3-171.7177.6-176.70112.6E80E80-K83 PolarHBondContact O-N 3.23Å
84A54.1Low55Low79 Ų79145.6 Ų145.665%0.65372%0.721SS**Hα-helixtrans-74-24.7177.800000114.2E80E80-A84 PolarHBondContact O-N 3.36Å
85N52.6Low53.7Low147 Ų147142.5 Ų142.579%0.78673%0.733SS**THydrogen-bonded Turntrans-99.44.7-179-75.3-18.5000114.6
86G50.7Low53Low62 Ų62145.4 Ų145.464%0.63975%0.749SS**  trans-99.6-9.2-17500000116.1M88G86-M88 VanDerWaalsContact C-N 3.32Å; G86-M88 PolarHBondContact O-N 3.19Å
87E47.4Very low52.6Low169 Ų169140.4 Ų140.479%0.7974%0.743SS**  trans-9061.8177.8-68.2-170.3141.600111.5K89E87-K89 VanDerWaalsContact C-N 3.28Å; E87-K89 PolarHBondContact O-N 3.01Å
88M51.2Low52.2Low169 Ų169136 Ų13683%0.83375%0.748SS**  trans-70.495.8155.1-94.8-168.4-72.900107.4G86 H90G86-M88 VanDerWaalsContact C-N 3.32Å; G86-M88 PolarHBondContact O-N 3.19Å; M88-H90 PolarHBondContact O-N 2.95Å
89K54.6Low52Low179 Ų179134.8 Ų134.878%0.77876%0.755SS**  trans-52.3109.1165.3-65.1-177.5-178.9179.70107.1E87 E91E87-K89 VanDerWaalsContact C-N 3.28Å; E87-K89 PolarHBondContact O-N 3.01Å; K89-E91 PolarHBondContact O-N 3.05Å
90H53.2Low52.1Low188 Ų188140.1 Ų140.187%0.8778%0.778SS**  trans-62.884.8162.3-103-129.4000106.8M88 R92M88-H90 PolarHBondContact O-N 2.95Å; H90-R92 PolarHBondContact O-N 2.77Å
91E49.3Very low51.9Low172 Ų172141.3 Ų141.380%0.80478%0.781SS**  trans-68.6103.8171.2-156.7162.6155.400106.3K89 V93K89-E91 PolarHBondContact O-N 3.05Å; E91-V93 PolarHBondContact O-N 3.02Å
92R55.8Low52.1Low235 Ų235141.5 Ų141.589%0.88779%0.786SS**  trans-63.2107.3175.9-67.9-177.4-174.3-172.61.3107.3H90 P94H90-R92 PolarHBondContact O-N 2.77Å; R92-P94 WeakPolarHBondContact O-CD 3.41Å
93V56.5Low51.6Low135 Ų135144.3 Ų144.382%0.81879%0.792SS**  trans-65121.4171.9-141.10000107.6E91 A95E91-V93 PolarHBondContact O-N 3.02Å; V93-A95 PolarHBondContact O-N 3.39Å
94P61.4Low51.6Low111 Ų111147.9 Ų147.972%0.72182%0.819SS**  trans-65130.6176.124.3-30.6000109.5R92 D96R92-P94 WeakPolarHBondContact O-CD 3.41Å; P94-D96 PolarHBondContact O-N 3.44Å
95A57.8Low51.5Low111 Ų111151.3 Ų151.392%0.91783%0.827SS**SBendtrans-81.168175.100000109.9V93V93-A95 PolarHBondContact O-N 3.39Å
96D52.3Low51.4Low159 Ų159151.5 Ų151.585%0.8583%0.829SS**  trans-165146.8160.1-152.9-8.7000110.5P94P94-D96 PolarHBondContact O-N 3.44Å
97G51.5Low51.5Low64 Ų64156.5 Ų156.566%0.6684%0.84SS**  trans116.876.9168.700000114.5
98G45.1Very low51.7Low88 Ų88155.8 Ų155.891%0.90784%0.843SS**  trans-53.3140.5154.300000110.9
99G47.9Very low51.8Low70 Ų70154.9 Ų154.972%0.72284%0.844SS**  trans175.8102.1176.200000110.9K101G99-K101 PolarHBondContact O-N 3.04Å
100Q49.7Very low51.6Low184 Ų184153.3 Ų153.386%0.8685%0.848SS**  trans-50.3129.5176-83.1128.6-67.200112.5
101K48.5Very low51.5Low176 Ų176150.9 Ų150.977%0.76585%0.846SS**  trans-85.2114.2160.3-67.4-177.3179.7-177.90108.1G99G99-K101 PolarHBondContact O-N 3.04Å
102N53.7Low51.6Low155 Ų155149.2 Ų149.283%0.82985%0.85SS**  trans-99.9124157.1-80.8-28.8000107.8
103Y40.7Very low51.3Low215 Ų215142.1 Ų142.184%0.84385%0.847SS**  trans-85.4117.5167.3-82.5-94.5000108.5
104N50.3Low50.8Low237 Ų237142.7 Ų142.7100%1.26785%0.849SS**  trans-155.50134.4-155.542.3000108.8

Retrieved 104 of 104 residues in 70.8 ms (Link to these results)

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