A0A3Q0KS25_SCHMA Loading...

AMIN domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KS25, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 146 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
1M52.1Low82.9Confident220 Ų220112.5 Ų112.5100%1.08456%0.561SS**  0131.80-82.7175.3-91.200107Y3M1-Y3 PolarHBondContact O-N 3.4Å
2S57.8Low83.2Confident95 Ų95108.6 Ų108.666%0.66455%0.552SS**  trans-65.8130.716868.20000107.2E4S2-E4 VanDerWaalsContact CB-O 3.24Å; S2-E4 WeakPolarHBondContact CB-O 3.4Å; S2-E4 PolarHBondContact O-N 3.46Å; S2-E4 PolarHBondContact OG-O 3.04Å
3Y80.1Confident83.5Confident200 Ų200104.2 Ų104.278%0.78453%0.525SS*.SBendtrans-69.7-8176.9-75.2-84.5000112.3M1 H18M1-Y3 PolarHBondContact O-N 3.4Å; Y3-H18 WeakPolarHBondContact O-CA 3.24Å; Y3-H18 PolarHBondContact O-ND1 3.21Å
4E87Confident84.1Confident59 Ų5997.3 Ų97.328%0.27649%0.49SS..EExtended strand (participates in β ladder)trans-139.2137.2-178.7-177.4177.4-156.400109.9S2 I6 R14 S16 L17 H18S2-E4 VanDerWaalsContact CB-O 3.24Å; S2-E4 WeakPolarHBondContact CB-O 3.4Å; S2-E4 PolarHBondContact O-N 3.46Å; S2-E4 PolarHBondContact OG-O 3.04Å; E4-I6 HydrophobicContact CG-CG1 4.34Å; E4-R14 IonicContact OE1-CZ 3.92Å; E4-R14 IonicContact OE1-NE 3.88Å; E4-R14 IonicContact OE1-NH2 3.52Å; E4-R14 PolarHBondContact OE1-NH2 3.46Å; E4-R14 IonicContact OE2-NH2 3.95Å; E4-R14 PolarHBondContact OE2-NH2 2.78Å; E4-R14 VanDerWaalsContact OE2-NH2 3.16Å; E4-S16 WeakPolarHBondContact OE1-CB 3.11Å; E4-S16 PolarHBondContact OE1-OG 2.66Å; E4-L17 CarbonylContact C-O 3.53Å; E4-L17 WeakPolarHBondContact CA-O 3.37Å; E4-H18 IonicContact OE1-CE1 2.89Å; E4-H18 IonicContact OE1-NE2 3.14Å
5N90.1Very high84.7Confident90 Ų9094.1 Ų94.148%0.48147%0.47SS..EExtended strand (participates in β ladder)trans-120.6109.9167.5-177.28.8000108.5I7 S16 L17N5-I7 PolarHBondContact O-N 2.69Å; N5-S16 CarbonylContact O-C 3.56Å; N5-S16 VanDerWaalsContact O-CA 3.29Å; N5-S16 WeakPolarHBondContact O-CA 3.28Å; N5-L17 HydrophobicContact CB-CB 4.45Å; N5-L17 PolarHBondContact N-O 2.89Å; N5-L17 PolarHBondContact O-N 2.86Å
6I91.9Very high85.2Confident73 Ų7388.3 Ų88.337%0.37444%0.441SS..EExtended strand (participates in β ladder)trans-75.2116.7175.8-58.2174.8000108E4 E9E4-I6 HydrophobicContact CG-CG1 4.34Å; I6-E9 HydrophobicContact CG2-CB 3.98Å
7I92.7Very high85.6Confident83 Ų8387.2 Ų87.243%0.42644%0.437SS..EExtended strand (participates in β ladder)trans-88.6-35.6179.5-55.3-56.4000110.6N5 Y15 L17N5-I7 PolarHBondContact O-N 2.69Å; I7-Y15 HydrophobicContact CB-CD1 3.57Å; I7-Y15 HydrophobicContact CB-CE1 4.04Å; I7-Y15 HydrophobicContact CB-CG 4.42Å; I7-Y15 HydrophobicContact CG1-CD1 4Å; I7-Y15 HydrophobicContact CG1-CE1 4.02Å; I7-Y15 HydrophobicContact CG2-CD1 3.76Å; I7-Y15 HydrophobicContact CG2-CE1 4.05Å; I7-Y15 PolarHBondContact N-O 2.99Å; I7-L17 HydrophobicContact CD1-CD1 3.8Å; I7-L17 HydrophobicContact CD1-CG 4.01Å; I7-L17 HydrophobicContact CG1-CD1 4.03Å; I7-L17 HydrophobicContact CG1-CG 3.75Å
8F91.7Very high85.8Confident98 Ų9884.4 Ų84.443%0.4342%0.422SS..EExtended strand (participates in β ladder)trans-156.4139.5179.8-176.6-87.4000110.4N10 Y13 R14 Y15F8-N10 HydrophobicContact CE1-CB 3.99Å; F8-N10 WeakPolarHBondContact CE1-ND2 3.48Å; F8-N10 HydrophobicContact CZ-CB 4.2Å; F8-Y13 AromaticContact CD1-CD1 3.35Å; F8-Y13 HydrophobicContact CD1-CD1 3.35Å; F8-Y13 AromaticContact CD1-CE1 3.7Å; F8-Y13 HydrophobicContact CD1-CE1 3.7Å; F8-Y13 HydrophobicContact CD1-CG 4.46Å; F8-Y13 AromaticContact CE1-CD1 3.59Å; F8-Y13 HydrophobicContact CE1-CD1 3.59Å; F8-Y13 HydrophobicContact CE1-CE1 4.29Å; F8-Y13 HydrophobicContact CG-CD1 4.44Å; F8-Y13 HydrophobicContact CG-CE1 4.42Å; F8-R14 CarbonylContact O-C 3.49Å; F8-R14 WeakPolarHBondContact O-CA 3.13Å; F8-Y15 PolarHBondContact N-O 2.73Å; F8-Y15 PolarHBondContact O-N 2.82Å
9E92.3Very high85.7Confident92 Ų9289.3 Ų89.343%0.4344%0.436SS..EExtended strand (participates in β ladder)trans-148.1134174.2-175.9165.8-147.100110.2I6 Y13 R14I6-E9 HydrophobicContact CG2-CB 3.98Å; E9-Y13 CarbonylContact C-O 3.54Å; E9-Y13 WeakPolarHBondContact CA-O 3.11Å; E9-R14 HydrophobicContact CB-CG 4.33Å; E9-R14 HydrophobicContact CG-CB 4.29Å; E9-R14 HydrophobicContact CG-CG 4.3Å; E9-R14 WeakPolarHBondContact OE1-CD 3.19Å; E9-R14 IonicContact OE1-CZ 2.69Å; E9-R14 IonicContact OE1-NH1 2.86Å; E9-R14 PolarHBondContact OE1-NH1 3.34Å; E9-R14 VanDerWaalsContact OE1-NH1 3.07Å; E9-R14 IonicContact OE2-NH1 3.75Å
10N90.1Very high85.5Confident75 Ų7590.9 Ų90.940%0.40144%0.443SS..EExtended strand (participates in β ladder)trans-148.5-177168.773.814.1000110.1F8 S12 Y13F8-N10 HydrophobicContact CE1-CB 3.99Å; F8-N10 WeakPolarHBondContact CE1-ND2 3.48Å; F8-N10 HydrophobicContact CZ-CB 4.2Å; N10-S12 PolarHBondContact O-N 2.77Å; N10-S12 PolarHBondContact OD1-N 3.36Å; N10-Y13 PolarHBondContact N-O 2.78Å; N10-Y13 PolarHBondContact O-N 3.04Å; N10-Y13 PolarHBondContact OD1-N 3.26Å; N10-Y13 PolarHBondContact OD1-O 3.16Å
11D86Confident85.6Confident153 Ų15391.3 Ų91.382%0.81844%0.44SS*.THydrogen-bonded Turntrans-61.2-11.9-176.7-61.5-18000115.4L27D11-L27 VanDerWaalsContact O-CD1 3.22Å; D11-L27 WeakPolarHBondContact O-CD1 3.43Å
12S87.1Confident87.4Confident65 Ų6583.8 Ų83.846%0.45541%0.409SS..THydrogen-bonded Turntrans-124-15.2-176.1-62.10000114N10 H26 L27N10-S12 PolarHBondContact O-N 2.77Å; N10-S12 PolarHBondContact OD1-N 3.36Å; S12-H26 WeakPolarHBondContact O-CA 3.49Å; S12-L27 PolarHBondContact O-N 2.87Å
13Y87.3Confident89.1Confident52 Ų5282.6 Ų82.620%0.20439%0.394CS..EExtended strand (participates in β ladder)trans-155.2132.8-166.1175.2-117.4000111.7F8 E9 N10 Y15 R24 I25 H26F8-Y13 AromaticContact CD1-CD1 3.35Å; F8-Y13 HydrophobicContact CD1-CD1 3.35Å; F8-Y13 AromaticContact CD1-CE1 3.7Å; F8-Y13 HydrophobicContact CD1-CE1 3.7Å; F8-Y13 HydrophobicContact CD1-CG 4.46Å; F8-Y13 AromaticContact CE1-CD1 3.59Å; F8-Y13 HydrophobicContact CE1-CD1 3.59Å; F8-Y13 HydrophobicContact CE1-CE1 4.29Å; F8-Y13 HydrophobicContact CG-CD1 4.44Å; F8-Y13 HydrophobicContact CG-CE1 4.42Å; E9-Y13 CarbonylContact C-O 3.54Å; E9-Y13 WeakPolarHBondContact CA-O 3.11Å; N10-Y13 PolarHBondContact N-O 2.78Å; N10-Y13 PolarHBondContact O-N 3.04Å; N10-Y13 PolarHBondContact OD1-N 3.26Å; N10-Y13 PolarHBondContact OD1-O 3.16Å; Y13-Y15 WeakPolarHBondContact OH-CB 3.36Å; Y13-R24 HydrophobicContact CE2-CB 4.15Å; Y13-R24 HydrophobicContact CE2-CG 4.11Å; Y13-I25 VanDerWaalsContact CA-O 3.31Å; Y13-I25 WeakPolarHBondContact CA-O 3.16Å; Y13-I25 WeakPolarHBondContact CD2-O 3.4Å; Y13-H26 AromaticContact CD2-CD2 3.97Å; Y13-H26 AromaticContact CD2-CE1 3.23Å; Y13-H26 WeakPolarHBondContact CD2-CE1 3.24Å; Y13-H26 AromaticContact CD2-CG 3.92Å; Y13-H26 AromaticContact CD2-ND1 3.47Å; Y13-H26 WeakPolarHBondContact CD2-ND1 3.22Å; Y13-H26 AromaticContact CD2-NE2 3.57Å; Y13-H26 AromaticContact CE2-CE1 3.32Å; Y13-H26 WeakPolarHBondContact CE2-CE1 3.19Å; Y13-H26 AromaticContact CE2-NE2 3.33Å; Y13-H26 VanDerWaalsContact CE2-NE2 3.33Å; Y13-H26 WeakPolarHBondContact CE2-NE2 3.32Å
14R91.5Very high89.6Confident7 Ų780.5 Ų80.53%0.02639%0.385CS..EExtended strand (participates in β ladder)trans-129137.3168.8177.5176.1171.5164.4-18.4110.4E4 F8 E9 R24 I25 I145 S146E4-R14 IonicContact OE1-CZ 3.92Å; E4-R14 IonicContact OE1-NE 3.88Å; E4-R14 IonicContact OE1-NH2 3.52Å; E4-R14 PolarHBondContact OE1-NH2 3.46Å; E4-R14 IonicContact OE2-NH2 3.95Å; E4-R14 PolarHBondContact OE2-NH2 2.78Å; E4-R14 VanDerWaalsContact OE2-NH2 3.16Å; F8-R14 CarbonylContact O-C 3.49Å; F8-R14 WeakPolarHBondContact O-CA 3.13Å; E9-R14 HydrophobicContact CB-CG 4.33Å; E9-R14 HydrophobicContact CG-CB 4.29Å; E9-R14 HydrophobicContact CG-CG 4.3Å; E9-R14 WeakPolarHBondContact OE1-CD 3.19Å; E9-R14 IonicContact OE1-CZ 2.69Å; E9-R14 IonicContact OE1-NH1 2.86Å; E9-R14 PolarHBondContact OE1-NH1 3.34Å; E9-R14 VanDerWaalsContact OE1-NH1 3.07Å; E9-R14 IonicContact OE2-NH1 3.75Å; R14-R24 WeakPolarHBondContact O-CA 3.29Å; R14-I25 HydrophobicContact CB-CB 4.5Å; R14-I25 PolarHBondContact N-O 3.46Å; R14-I25 PolarHBondContact O-N 2.92Å; R14-I145 HydrophobicContact CB-CG2 3.82Å; R14-I145 HydrophobicContact CG-CG2 4.28Å; R14-S146 PolarHBondContact NH1-OXT 3.01Å; R14-S146 VanDerWaalsContact NH2-C 3.34Å; R14-S146 PolarHBondContact NH2-OXT 3.48Å
15Y93.3Very high89.7Confident49 Ų4979.8 Ų79.819%0.19238%0.382CS..EExtended strand (participates in β ladder)trans-126.3122.3172.6-178.1-130.8000110.1I7 F8 Y13 L17 M23 R24I7-Y15 HydrophobicContact CB-CD1 3.57Å; I7-Y15 HydrophobicContact CB-CE1 4.04Å; I7-Y15 HydrophobicContact CB-CG 4.42Å; I7-Y15 HydrophobicContact CG1-CD1 4Å; I7-Y15 HydrophobicContact CG1-CE1 4.02Å; I7-Y15 HydrophobicContact CG2-CD1 3.76Å; I7-Y15 HydrophobicContact CG2-CE1 4.05Å; I7-Y15 PolarHBondContact N-O 2.99Å; F8-Y15 PolarHBondContact N-O 2.73Å; F8-Y15 PolarHBondContact O-N 2.82Å; Y13-Y15 WeakPolarHBondContact OH-CB 3.36Å; Y15-L17 HydrophobicContact CE1-CD2 4.48Å; Y15-L17 HydrophobicContact CE2-CD2 4.49Å; Y15-M23 WeakPolarHBondContact CA-O 3.17Å; Y15-M23 WeakPolarHBondContact CD2-O 3.29Å; Y15-R24 HydrophobicContact CD2-CG 3.39Å; Y15-R24 HydrophobicContact CE2-CG 3.92Å; Y15-R24 HydrophobicContact CG-CG 4.33Å
16S93.1Very high89.7Confident2 Ų279.8 Ų79.81%0.01438%0.379CS..EExtended strand (participates in β ladder)trans-132.2151.4177.157.30000111.9E4 N5 H18 S22 M23E4-S16 WeakPolarHBondContact OE1-CB 3.11Å; E4-S16 PolarHBondContact OE1-OG 2.66Å; N5-S16 CarbonylContact O-C 3.56Å; N5-S16 VanDerWaalsContact O-CA 3.29Å; N5-S16 WeakPolarHBondContact O-CA 3.28Å; S16-H18 PolarHBondContact OG-NE2 2.85Å; S16-S22 CarbonylContact O-C 3.46Å; S16-S22 WeakPolarHBondContact O-CA 3.41Å; S16-M23 PolarHBondContact N-O 3.29Å; S16-M23 PolarHBondContact O-N 2.86Å
17L91.8Very high89.4Confident70 Ų7079 Ų7937%0.36638%0.376SS..EExtended strand (participates in β ladder)trans-104.3126.6170.8-61.8-179.2000108.4E4 N5 I7 Y15E4-L17 CarbonylContact C-O 3.53Å; E4-L17 WeakPolarHBondContact CA-O 3.37Å; N5-L17 HydrophobicContact CB-CB 4.45Å; N5-L17 PolarHBondContact N-O 2.89Å; N5-L17 PolarHBondContact O-N 2.86Å; I7-L17 HydrophobicContact CD1-CD1 3.8Å; I7-L17 HydrophobicContact CD1-CG 4.01Å; I7-L17 HydrophobicContact CG1-CD1 4.03Å; I7-L17 HydrophobicContact CG1-CG 3.75Å; Y15-L17 HydrophobicContact CE1-CD2 4.48Å; Y15-L17 HydrophobicContact CE2-CD2 4.49Å
18H87.8Confident89Confident36 Ų3682.6 Ų82.617%0.16740%0.395CS..EExtended strand (participates in β ladder)trans-104.9168.4169.1-60.3-91.1000109.3Y3 E4 S16 H20 Y21Y3-H18 WeakPolarHBondContact O-CA 3.24Å; Y3-H18 PolarHBondContact O-ND1 3.21Å; E4-H18 IonicContact OE1-CE1 2.89Å; E4-H18 IonicContact OE1-NE2 3.14Å; S16-H18 PolarHBondContact OG-NE2 2.85Å; H18-H20 PolarHBondContact O-N 2.81Å; H18-Y21 CarbonylContact C-O 3.58Å; H18-Y21 WeakPolarHBondContact CA-O 3.39Å; H18-Y21 HydrophobicContact CB-CD1 3.99Å; H18-Y21 HydrophobicContact CB-CD2 4.19Å; H18-Y21 HydrophobicContact CB-CE1 3.71Å; H18-Y21 HydrophobicContact CB-CE2 3.89Å; H18-Y21 HydrophobicContact CB-CG 4.23Å; H18-Y21 WeakPolarHBondContact CB-O 3.18Å; H18-Y21 AromaticContact CD2-CD2 3.8Å; H18-Y21 AromaticContact CD2-CE2 3.18Å; H18-Y21 WeakPolarHBondContact CD2-CE2 3.46Å; H18-Y21 AromaticContact CD2-CZ 3.61Å; H18-Y21 AromaticContact CG-CE2 3.57Å; H18-Y21 AromaticContact CG-CZ 3.48Å; H18-Y21 VanDerWaalsContact CG-CZ 3.48Å; H18-Y21 PolarHBondContact N-O 3.13Å; H18-Y21 AromaticContact NE2-CE2 3.83Å; H18-Y21 PolarHBondContact O-N 3.18Å; H18-Y21 VanDerWaalsContact O-O 3.11Å
19Y84.5Confident88.7Confident178 Ų17883.5 Ų83.570%0.69840%0.401SS*.SBendtrans-53-33-175.9-177.3-118000114
20H82.6Confident88.3Confident121 Ų12189.5 Ų89.556%0.5642%0.421SS*.SBendtrans-121.3-6.4-176.9-68.3-68000115.6H18 Y56H18-H20 PolarHBondContact O-N 2.81Å; H20-Y56 HydrophobicContact CB-CD1 3.59Å; H20-Y56 HydrophobicContact CB-CE1 3.03Å; H20-Y56 AromaticContact CD2-CD1 3.94Å; H20-Y56 AromaticContact CD2-CE1 3.36Å; H20-Y56 WeakPolarHBondContact CD2-CE1 3.11Å; H20-Y56 AromaticContact CG-CD1 3.63Å; H20-Y56 AromaticContact CG-CE1 3.26Å
21Y86.5Confident87.8Confident99 Ų9987.9 Ų87.939%0.38841%0.411SS..  trans-155.8165.6-174.162.5-86000111.1H18 M23 Y56H18-Y21 CarbonylContact C-O 3.58Å; H18-Y21 WeakPolarHBondContact CA-O 3.39Å; H18-Y21 HydrophobicContact CB-CD1 3.99Å; H18-Y21 HydrophobicContact CB-CD2 4.19Å; H18-Y21 HydrophobicContact CB-CE1 3.71Å; H18-Y21 HydrophobicContact CB-CE2 3.89Å; H18-Y21 HydrophobicContact CB-CG 4.23Å; H18-Y21 WeakPolarHBondContact CB-O 3.18Å; H18-Y21 AromaticContact CD2-CD2 3.8Å; H18-Y21 AromaticContact CD2-CE2 3.18Å; H18-Y21 WeakPolarHBondContact CD2-CE2 3.46Å; H18-Y21 AromaticContact CD2-CZ 3.61Å; H18-Y21 AromaticContact CG-CE2 3.57Å; H18-Y21 AromaticContact CG-CZ 3.48Å; H18-Y21 VanDerWaalsContact CG-CZ 3.48Å; H18-Y21 PolarHBondContact N-O 3.13Å; H18-Y21 AromaticContact NE2-CE2 3.83Å; H18-Y21 PolarHBondContact O-N 3.18Å; H18-Y21 VanDerWaalsContact O-O 3.11Å; Y21-M23 HydrophobicContact CD2-CB 4.49Å; Y21-M23 HydrophobicContact CE2-CB 4.24Å; Y21-M23 HydrophobicContact CE2-CE 3.72Å; Y21-Y56 AromaticContact CD1-CZ 4Å; Y21-Y56 WeakPolarHBondContact CD1-OH 3.37Å; Y21-Y56 VanDerWaalsContact CE1-OH 3.28Å; Y21-Y56 WeakPolarHBondContact CE1-OH 3.31Å
22S90.8Very high87.5Confident63 Ų6383 Ų8344%0.44139%0.388SS..EExtended strand (participates in β ladder)trans-107.8145.8167.566.10000109.8S16S16-S22 CarbonylContact O-C 3.46Å; S16-S22 WeakPolarHBondContact O-CA 3.41Å
23M92.1Very high87Confident69 Ų6984.8 Ų84.834%0.3441%0.407SS..EExtended strand (participates in β ladder)trans-120.5135.3179.2-169.7-177.7-61.600109.9Y15 S16 Y21 I25Y15-M23 WeakPolarHBondContact CA-O 3.17Å; Y15-M23 WeakPolarHBondContact CD2-O 3.29Å; S16-M23 PolarHBondContact N-O 3.29Å; S16-M23 PolarHBondContact O-N 2.86Å; Y21-M23 HydrophobicContact CD2-CB 4.49Å; Y21-M23 HydrophobicContact CE2-CB 4.24Å; Y21-M23 HydrophobicContact CE2-CE 3.72Å; M23-I25 HydrophobicContact CG-CG1 4.28Å; M23-I25 HydrophobicContact SD-CD1 4Å; M23-I25 HydrophobicContact SD-CG1 4.12Å
24R92Very high86.2Confident156 Ų15683.4 Ų83.459%0.58940%0.402SS*.EExtended strand (participates in β ladder)trans-124.1123.6172-71179.6-164.2173.26.6109.2Y13 R14 Y15Y13-R24 HydrophobicContact CE2-CB 4.15Å; Y13-R24 HydrophobicContact CE2-CG 4.11Å; R14-R24 WeakPolarHBondContact O-CA 3.29Å; Y15-R24 HydrophobicContact CD2-CG 3.39Å; Y15-R24 HydrophobicContact CE2-CG 3.92Å; Y15-R24 HydrophobicContact CG-CG 4.33Å
25I89.1Confident85Confident44 Ų4488.9 Ų88.923%0.22643%0.431CS..EExtended strand (participates in β ladder)trans-112.2128.3174.9-57.6172.3000107.2Y13 R14 M23 I145Y13-I25 VanDerWaalsContact CA-O 3.31Å; Y13-I25 WeakPolarHBondContact CA-O 3.16Å; Y13-I25 WeakPolarHBondContact CD2-O 3.4Å; R14-I25 HydrophobicContact CB-CB 4.5Å; R14-I25 PolarHBondContact N-O 3.46Å; R14-I25 PolarHBondContact O-N 2.92Å; M23-I25 HydrophobicContact CG-CG1 4.28Å; M23-I25 HydrophobicContact SD-CD1 4Å; M23-I25 HydrophobicContact SD-CG1 4.12Å; I25-I145 HydrophobicContact CD1-CG2 4.36Å; I25-I145 HydrophobicContact CG2-CD1 4.35Å; I25-I145 HydrophobicContact CG2-CG1 4.16Å
26H89.4Confident83.4Confident91 Ų9192.2 Ų92.242%0.42145%0.453SS..EExtended strand (participates in β ladder)trans-124.8136.6175.8-67.8-98.4000109.2S12 Y13 Q29S12-H26 WeakPolarHBondContact O-CA 3.49Å; Y13-H26 AromaticContact CD2-CD2 3.97Å; Y13-H26 AromaticContact CD2-CE1 3.23Å; Y13-H26 WeakPolarHBondContact CD2-CE1 3.24Å; Y13-H26 AromaticContact CD2-CG 3.92Å; Y13-H26 AromaticContact CD2-ND1 3.47Å; Y13-H26 WeakPolarHBondContact CD2-ND1 3.22Å; Y13-H26 AromaticContact CD2-NE2 3.57Å; Y13-H26 AromaticContact CE2-CE1 3.32Å; Y13-H26 WeakPolarHBondContact CE2-CE1 3.19Å; Y13-H26 AromaticContact CE2-NE2 3.33Å; Y13-H26 VanDerWaalsContact CE2-NE2 3.33Å; Y13-H26 WeakPolarHBondContact CE2-NE2 3.32Å; H26-Q29 HydrophobicContact CB-CG 3.36Å
27L86.1Confident81.7Confident57 Ų5796.8 Ų96.830%0.29849%0.485SS..SBendtrans-87.8157.4169.5-59-174.2000111D11 S12 Q29 I145D11-L27 VanDerWaalsContact O-CD1 3.22Å; D11-L27 WeakPolarHBondContact O-CD1 3.43Å; S12-L27 PolarHBondContact O-N 2.87Å; L27-Q29 PolarHBondContact O-N 3.01Å; L27-I145 HydrophobicContact CD1-CD1 4.06Å; L27-I145 HydrophobicContact CD2-CD1 4.01Å; L27-I145 HydrophobicContact CD2-CG1 4.39Å; L27-I145 HydrophobicContact CG-CD1 3.96Å
28N84.6Confident80.3Confident157 Ų15796.2 Ų96.284%0.8448%0.478SS*.SBendtrans54.934.8173-54.6-38000114.3
29Q84.7Confident79.4Confident117 Ų117102 Ų10255%0.54750%0.499SS..PPolyproline II helixtrans-87.5143.8174-65.1-59.9-58.600111.4H26 L27H26-Q29 HydrophobicContact CB-CG 3.36Å; L27-Q29 PolarHBondContact O-N 3.01Å
30Y83.4Confident78.8Confident219 Ų21997.6 Ų97.686%0.85949%0.487SS*.PPolyproline II helixtrans-70.7136.7172.4-66.6-74.1000111.2
31Q80.5Confident78.7Confident41 Ų4192.9 Ų92.919%0.19247%0.465CS..PPolyproline II helixtrans-74.6139.2167.4-56.1-151.33.900110A33 T125 Y137 D139Q31-A33 PolarHBondContact O-N 3.42Å; Q31-T125 PolarHBondContact OE1-OG1 3.44Å; Q31-Y137 HydrophobicContact CB-CD1 4.43Å; Q31-Y137 HydrophobicContact CG-CD1 4.15Å; Q31-Y137 HydrophobicContact CG-CG 4.22Å; Q31-D139 WeakPolarHBondContact CG-OD1 3.45Å; Q31-D139 PolarHBondContact NE2-OD1 2.71Å; Q31-D139 PolarHBondContact NE2-OD2 2.64Å; Q31-D139 VanDerWaalsContact NE2-OD2 3.15Å
32P79.3Confident78.3Confident49 Ų4994.4 Ų94.432%0.31848%0.48SS..PPolyproline II helixtrans-57.613816915.9-24000111F34 Y137P32-F34 HydrophobicContact CB-CE1 4.26Å; P32-F34 HydrophobicContact CB-CE2 4.01Å; P32-F34 HydrophobicContact CB-CZ 3.76Å; P32-F34 HydrophobicContact CG-CE1 4.35Å; P32-F34 HydrophobicContact CG-CE2 3.57Å; P32-F34 HydrophobicContact CG-CZ 3.41Å; P32-F34 VanDerWaalsContact CG-CZ 3.41Å; P32-F34 WeakPolarHBondContact O-CD2 3.36Å; P32-F34 PolarHBondContact O-N 3.44Å; P32-Y137 VanDerWaalsContact CD-CE1 3.49Å; P32-Y137 HydrophobicContact CG-CE1 4.46Å; P32-Y137 HydrophobicContact CG-CE2 3.86Å
33A75.4Confident78Confident103 Ų10399.1 Ų99.185%0.85149%0.493SS*.  trans-76.5107.7174.800000109.2Q31Q31-A33 PolarHBondContact O-N 3.42Å
34F71.6Confident77.8Confident24 Ų2499 Ų9911%0.10550%0.499CS..  trans-94.1139.5169.8-56.8-70.9000109.3P32 D36 Y38 F99 L104 A106 T125 V127P32-F34 HydrophobicContact CB-CE1 4.26Å; P32-F34 HydrophobicContact CB-CE2 4.01Å; P32-F34 HydrophobicContact CB-CZ 3.76Å; P32-F34 HydrophobicContact CG-CE1 4.35Å; P32-F34 HydrophobicContact CG-CE2 3.57Å; P32-F34 HydrophobicContact CG-CZ 3.41Å; P32-F34 VanDerWaalsContact CG-CZ 3.41Å; P32-F34 WeakPolarHBondContact O-CD2 3.36Å; P32-F34 PolarHBondContact O-N 3.44Å; F34-D36 PolarHBondContact O-N 3.13Å; F34-Y38 PolarHBondContact O-OH 2.73Å; F34-F99 HydrophobicContact CD1-CD1 4.3Å; F34-F99 HydrophobicContact CD1-CE1 4.49Å; F34-L104 HydrophobicContact CD1-CD1 4.36Å; F34-L104 HydrophobicContact CE1-CD1 3.64Å; F34-L104 HydrophobicContact CE1-CD2 4.08Å; F34-L104 HydrophobicContact CZ-CD1 4.41Å; F34-A106 HydrophobicContact CD1-CB 4.23Å; F34-A106 HydrophobicContact CE1-CB 3.84Å; F34-A106 HydrophobicContact CE2-CB 4.17Å; F34-A106 HydrophobicContact CZ-CB 3.79Å; F34-T125 HydrophobicContact CD2-CG2 4.13Å; F34-T125 HydrophobicContact CE2-CG2 3.56Å; F34-T125 HydrophobicContact CZ-CG2 4.4Å; F34-V127 HydrophobicContact CE2-CG2 4.19Å; F34-V127 HydrophobicContact CZ-CG2 3.64Å
35N65.8Low77.7Confident121 Ų12194.4 Ų94.465%0.64748%0.482SS*.  trans-70.7122.3178.9-82.8-10.7000111.1S37 Y38N35-S37 PolarHBondContact O-N 3.37Å; N35-Y38 WeakPolarHBondContact O-CE1 3.43Å; N35-Y38 PolarHBondContact O-OH 3.19Å; N35-Y38 VanDerWaalsContact O-OH 3.09Å
36D60.5Low77.8Confident120 Ų12096.1 Ų96.164%0.64249%0.488SS*.SBendtrans-9.9-25.2153.70.8-70000121.7F34 Y38 K108F34-D36 PolarHBondContact O-N 3.13Å; D36-Y38 HydrophobicContact CB-CD2 3.72Å; D36-Y38 HydrophobicContact CB-CE2 3.11Å; D36-Y38 VanDerWaalsContact CG-CE2 3.48Å; D36-Y38 PolarHBondContact N-OH 3.07Å; D36-Y38 VanDerWaalsContact N-OH 3.16Å; D36-Y38 WeakPolarHBondContact O-CD2 3.45Å; D36-Y38 WeakPolarHBondContact O-CE2 3.31Å; D36-Y38 PolarHBondContact O-N 2.73Å; D36-Y38 WeakPolarHBondContact OD1-CE2 3.21Å; D36-Y38 VanDerWaalsContact OD1-CZ 3.27Å; D36-Y38 PolarHBondContact OD1-OH 2.92Å; D36-K108 IonicContact OD1-NZ 3.58Å; D36-K108 PolarHBondContact OD1-NZ 2.88Å
37S57.5Low77.9Confident98 Ų9892.1 Ų92.169%0.68547%0.469SS*.  trans-84.380.9-164.2580000111.1N35N35-S37 PolarHBondContact O-N 3.37Å
38Y62Low78.2Confident58 Ų5895.3 Ų95.323%0.22748%0.481CS..  trans-122.9161.4-164.2-51.6-62.1000115.8F34 N35 D36 V97F34-Y38 PolarHBondContact O-OH 2.73Å; N35-Y38 WeakPolarHBondContact O-CE1 3.43Å; N35-Y38 PolarHBondContact O-OH 3.19Å; N35-Y38 VanDerWaalsContact O-OH 3.09Å; D36-Y38 HydrophobicContact CB-CD2 3.72Å; D36-Y38 HydrophobicContact CB-CE2 3.11Å; D36-Y38 VanDerWaalsContact CG-CE2 3.48Å; D36-Y38 PolarHBondContact N-OH 3.07Å; D36-Y38 VanDerWaalsContact N-OH 3.16Å; D36-Y38 WeakPolarHBondContact O-CD2 3.45Å; D36-Y38 WeakPolarHBondContact O-CE2 3.31Å; D36-Y38 PolarHBondContact O-N 2.73Å; D36-Y38 WeakPolarHBondContact OD1-CE2 3.21Å; D36-Y38 VanDerWaalsContact OD1-CZ 3.27Å; D36-Y38 PolarHBondContact OD1-OH 2.92Å; Y38-V97 HydrophobicContact CD1-CB 4.05Å; Y38-V97 HydrophobicContact CD1-CG2 4.18Å; Y38-V97 HydrophobicContact CD2-CB 3.87Å; Y38-V97 HydrophobicContact CD2-CG1 3.8Å; Y38-V97 HydrophobicContact CD2-CG2 3.96Å; Y38-V97 HydrophobicContact CE1-CG2 4.23Å; Y38-V97 HydrophobicContact CE2-CB 4.36Å; Y38-V97 HydrophobicContact CE2-CG1 4.49Å; Y38-V97 HydrophobicContact CE2-CG2 3.94Å; Y38-V97 HydrophobicContact CG-CB 3.68Å; Y38-V97 HydrophobicContact CG-CG1 3.96Å; Y38-V97 HydrophobicContact CG-CG2 4.07Å
39R68.7Low78.7Confident158 Ų15888.6 Ų88.660%0.59645%0.446SS*.EExtended strand (participates in β ladder)trans-100.9104.6164.8-164.3174.4-173.9176.24.6109.1Y45R39-Y45 WeakPolarHBondContact CD-OH 3.18Å; R39-Y45 PolarHBondContact NH1-OH 3.22Å; R39-Y45 VanDerWaalsContact NH1-OH 3.07Å
40N71.3Confident79.2Confident85 Ų8588.2 Ų88.246%0.45544%0.442SS..EExtended strand (participates in β ladder)trans-71.4147.8164.8-171.8-9.8000108.9E95N40-E95 PolarHBondContact ND2-OE1 3.01Å
41F81.1Confident79.8Confident21 Ų2178.8 Ų78.89%0.09241%0.406CS..  trans-145.9149.1179.966.6-83.3000110.9Y45 I65 T96 V98F41-Y45 HydrophobicContact CD1-CG 4.35Å; F41-Y45 HydrophobicContact CG-CG 4.44Å; F41-I65 HydrophobicContact CE1-CG2 4.42Å; F41-I65 VanDerWaalsContact CE2-O 3.27Å; F41-I65 WeakPolarHBondContact CE2-O 3.32Å; F41-I65 HydrophobicContact CZ-CB 4.34Å; F41-I65 HydrophobicContact CZ-CG2 3.82Å; F41-T96 HydrophobicContact CE1-CG2 3.81Å; F41-T96 HydrophobicContact CZ-CG2 3.76Å; F41-V98 HydrophobicContact CD1-CG2 4.45Å; F41-V98 HydrophobicContact CE1-CG2 3.75Å
42N77.5Confident80.4Confident131 Ų13181.2 Ų81.270%0.70143%0.427SS*.SBendtrans-92.8-23.8-170-69.7-20.4000115
43F84.6Confident81.1Confident163 Ų16379 Ų7972%0.71541%0.413SS*.SBendtrans-129.3-72.7-172.6-64.5-78.2000111.9Y67F43-Y67 WeakPolarHBondContact O-CD1 3.23Å; F43-Y67 PolarHBondContact O-N 2.79Å
44S88.5Confident82Confident67 Ų6781.2 Ų81.247%0.46940%0.399SS..EExtended strand (participates in β ladder)trans-145.4151.7178.854.80000109.6I65S44-I65 CarbonylContact C-O 3.51Å; S44-I65 WeakPolarHBondContact CA-O 2.95Å
45Y89.1Confident82.9Confident58 Ų5882 Ų8223%0.22740%0.403CS..EExtended strand (participates in β ladder)trans-130.3120.5178.5-170.2-119.4000109.5R39 F41 V47 I65 V98R39-Y45 WeakPolarHBondContact CD-OH 3.18Å; R39-Y45 PolarHBondContact NH1-OH 3.22Å; R39-Y45 VanDerWaalsContact NH1-OH 3.07Å; F41-Y45 HydrophobicContact CD1-CG 4.35Å; F41-Y45 HydrophobicContact CG-CG 4.44Å; Y45-V47 HydrophobicContact CD1-CG2 3.24Å; Y45-V47 HydrophobicContact CE1-CG2 3.31Å; Y45-V47 HydrophobicContact CG-CG2 4.27Å; Y45-I65 PolarHBondContact N-O 3.24Å; Y45-I65 PolarHBondContact O-N 2.78Å; Y45-V98 HydrophobicContact CD1-CB 4.22Å; Y45-V98 HydrophobicContact CD1-CG1 4.34Å; Y45-V98 HydrophobicContact CD1-CG2 4.05Å; Y45-V98 HydrophobicContact CE1-CB 4.43Å; Y45-V98 HydrophobicContact CE1-CG1 4.43Å
46F91.5Very high83.9Confident81 Ų8180.9 Ų80.936%0.35539%0.39SS..EExtended strand (participates in β ladder)trans-87133.3176.8175.2-96.6000110.1K48 E62 Y64F46-K48 HydrophobicContact CE1-CG 4.07Å; F46-K48 HydrophobicContact CZ-CG 4.27Å; F46-E62 HydrophobicContact CE2-CB 3.79Å; F46-E62 HydrophobicContact CE2-CG 3.91Å; F46-E62 HydrophobicContact CZ-CB 4.02Å; F46-E62 HydrophobicContact CZ-CG 3.61Å; F46-Y64 HydrophobicContact CB-CD1 4.24Å; F46-Y64 HydrophobicContact CB-CE1 4.15Å; F46-Y64 AromaticContact CD2-CD1 3.93Å; F46-Y64 HydrophobicContact CD2-CD1 3.93Å; F46-Y64 HydrophobicContact CD2-CD2 4.2Å; F46-Y64 AromaticContact CD2-CE1 3.53Å; F46-Y64 HydrophobicContact CD2-CE1 3.53Å; F46-Y64 AromaticContact CD2-CE2 3.85Å; F46-Y64 HydrophobicContact CD2-CE2 3.85Å; F46-Y64 HydrophobicContact CD2-CG 4.27Å; F46-Y64 AromaticContact CD2-CZ 3.51Å; F46-Y64 HydrophobicContact CE2-CE1 4.38Å; F46-Y64 HydrophobicContact CE2-CE2 4.02Å; F46-Y64 AromaticContact CE2-CZ 3.91Å; F46-Y64 HydrophobicContact CG-CE1 4.27Å
47V91.7Very high85.3Confident6 Ų681.9 Ų81.94%0.03640%0.395CS..EExtended strand (participates in β ladder)trans-137.5131.1-176.7-176.20000110.6Y45 P49 V63 I65 V98 N100 L105Y45-V47 HydrophobicContact CD1-CG2 3.24Å; Y45-V47 HydrophobicContact CE1-CG2 3.31Å; Y45-V47 HydrophobicContact CG-CG2 4.27Å; V47-P49 WeakPolarHBondContact O-CD 3.46Å; V47-V63 HydrophobicContact CB-CG2 3.7Å; V47-V63 HydrophobicContact CG1-CG2 4.34Å; V47-V63 PolarHBondContact N-O 3Å; V47-V63 WeakPolarHBondContact O-CG2 3.41Å; V47-V63 PolarHBondContact O-N 3.38Å; V47-I65 HydrophobicContact CB-CD1 4.47Å; V47-I65 HydrophobicContact CG2-CD1 3.77Å; V47-V98 HydrophobicContact CG2-CG1 4.19Å; V47-N100 HydrophobicContact CG1-CB 3.95Å; V47-N100 WeakPolarHBondContact CG1-ND2 3.31Å; V47-L105 HydrophobicContact CG1-CD1 4.12Å
48K93.8Very high86.9Confident124 Ų12478.6 Ų78.654%0.53937%0.372SS..  trans-91.7112.6159.1-69-171.9-179.6-153.30108.1F46 K50 E62 N100F46-K48 HydrophobicContact CE1-CG 4.07Å; F46-K48 HydrophobicContact CZ-CG 4.27Å; K48-K50 PolarHBondContact O-N 3.29Å; K48-E62 WeakPolarHBondContact CE-OE1 3.33Å; K48-E62 HydrophobicContact CG-CG 4.05Å; K48-E62 IonicContact NZ-OE1 2.69Å; K48-E62 PolarHBondContact NZ-OE1 2.78Å; K48-N100 PolarHBondContact O-ND2 2.82Å
49P94.7Very high88.5Confident17 Ų1779 Ų7911%0.1138%0.378CS..  trans-53.5139.6174.5-21.330.6000110.5V47 F51 F53 N61 V63 N100 L105V47-P49 WeakPolarHBondContact O-CD 3.46Å; P49-F51 HydrophobicContact CB-CD1 4.37Å; P49-F51 HydrophobicContact CB-CD2 4.48Å; P49-F51 HydrophobicContact CB-CE1 4.12Å; P49-F51 HydrophobicContact CB-CE2 4.3Å; P49-F51 HydrophobicContact CB-CZ 4.11Å; P49-F51 WeakPolarHBondContact CB-O 3.39Å; P49-F51 PolarHBondContact O-N 2.86Å; P49-F53 HydrophobicContact CB-CE1 4.46Å; P49-F53 HydrophobicContact CG-CD1 4.43Å; P49-F53 HydrophobicContact CG-CE1 3.87Å; P49-N61 WeakPolarHBondContact CD-O 3.43Å; P49-V63 HydrophobicContact CG-CG1 4.29Å; P49-N100 WeakPolarHBondContact CA-OD1 3.38Å; P49-L105 HydrophobicContact CG-CD2 4.35Å
50K94.8Very high89.8Confident108 Ų10871.5 Ų71.547%0.4735%0.35SS..SBendtrans-7310.1177.5-68.7-174.9-173.2151.40113.5K48 N100 E101 K102K48-K50 PolarHBondContact O-N 3.29Å; K50-N100 WeakPolarHBondContact CD-O 3.29Å; K50-N100 WeakPolarHBondContact CE-O 3.21Å; K50-N100 PolarHBondContact N-OD1 3.24Å; K50-N100 PolarHBondContact NZ-O 3.38Å; K50-E101 IonicContact NZ-OE1 3.76Å; K50-E101 PolarHBondContact NZ-OE1 3.16Å; K50-E101 IonicContact NZ-OE2 3.93Å; K50-E101 PolarHBondContact NZ-OE2 3.25Å; K50-K102 HydrophobicContact CB-CG 4.35Å
51F95.2Very high90.8Very high22 Ų2270.8 Ų70.810%0.09635%0.346CS..SBendtrans-144.8154.7-179.655.2-88.9000109P49 F53 E101 L105 I128 P130P49-F51 HydrophobicContact CB-CD1 4.37Å; P49-F51 HydrophobicContact CB-CD2 4.48Å; P49-F51 HydrophobicContact CB-CE1 4.12Å; P49-F51 HydrophobicContact CB-CE2 4.3Å; P49-F51 HydrophobicContact CB-CZ 4.11Å; P49-F51 WeakPolarHBondContact CB-O 3.39Å; P49-F51 PolarHBondContact O-N 2.86Å; F51-F53 HydrophobicContact CD2-CB 4.15Å; F51-F53 HydrophobicContact CD2-CD1 4.14Å; F51-F53 HydrophobicContact CE2-CB 4.07Å; F51-F53 AromaticContact CE2-CD1 3.69Å; F51-F53 HydrophobicContact CE2-CD1 3.69Å; F51-F53 HydrophobicContact CE2-CE1 4.48Å; F51-F53 HydrophobicContact CE2-CG 4.12Å; F51-E101 VanDerWaalsContact CD1-O 3.26Å; F51-E101 WeakPolarHBondContact CD1-O 3.46Å; F51-E101 WeakPolarHBondContact CE1-O 3.5Å; F51-L105 HydrophobicContact CE1-CB 3.98Å; F51-L105 HydrophobicContact CZ-CB 3.79Å; F51-I128 HydrophobicContact CE2-CG2 4.29Å; F51-I128 HydrophobicContact CZ-CG2 4.39Å; F51-I128 WeakPolarHBondContact CZ-O 3.27Å; F51-P130 HydrophobicContact CB-CB 4.33Å; F51-P130 HydrophobicContact CB-CG 3.98Å; F51-P130 HydrophobicContact CD1-CG 4.4Å; F51-P130 HydrophobicContact CD2-CB 4.03Å; F51-P130 HydrophobicContact CD2-CG 3.85Å; F51-P130 HydrophobicContact CE2-CG 4.44Å; F51-P130 HydrophobicContact CG-CB 4.33Å; F51-P130 HydrophobicContact CG-CG 3.8Å
52S92.9Very high91.5Very high91 Ų9170.6 Ų70.664%0.63635%0.346SS*.  trans-86139.5169.5-57.80000109.7
53F95Very high92.3Very high4 Ų464.4 Ų64.42%0.01831%0.312CS..EExtended strand (participates in β ladder)trans-142.6158.717075-79.9000110.2P49 F51 F55 I60 V63 L73 I128 P130P49-F53 HydrophobicContact CB-CE1 4.46Å; P49-F53 HydrophobicContact CG-CD1 4.43Å; P49-F53 HydrophobicContact CG-CE1 3.87Å; F51-F53 HydrophobicContact CD2-CB 4.15Å; F51-F53 HydrophobicContact CD2-CD1 4.14Å; F51-F53 HydrophobicContact CE2-CB 4.07Å; F51-F53 AromaticContact CE2-CD1 3.69Å; F51-F53 HydrophobicContact CE2-CD1 3.69Å; F51-F53 HydrophobicContact CE2-CE1 4.48Å; F51-F53 HydrophobicContact CE2-CG 4.12Å; F53-F55 HydrophobicContact CE2-CB 4.37Å; F53-I60 HydrophobicContact CD1-CB 4.47Å; F53-I60 HydrophobicContact CE1-CB 3.86Å; F53-I60 HydrophobicContact CE1-CG2 3.92Å; F53-I60 HydrophobicContact CE2-CB 3.92Å; F53-I60 HydrophobicContact CE2-CG1 3.89Å; F53-I60 HydrophobicContact CE2-CG2 4.34Å; F53-I60 HydrophobicContact CZ-CB 3.56Å; F53-I60 HydrophobicContact CZ-CG1 3.99Å; F53-I60 HydrophobicContact CZ-CG2 3.57Å; F53-I60 PolarHBondContact O-N 2.81Å; F53-I60 VanDerWaalsContact O-N 3.13Å; F53-V63 HydrophobicContact CZ-CG1 4.47Å; F53-L73 HydrophobicContact CZ-CD2 4.21Å; F53-I128 HydrophobicContact CD1-CG2 4.2Å; F53-I128 HydrophobicContact CD2-CG2 3.87Å; F53-I128 HydrophobicContact CE1-CG2 4.07Å; F53-I128 HydrophobicContact CE2-CG2 3.74Å; F53-I128 HydrophobicContact CG-CG2 4.09Å; F53-I128 HydrophobicContact CZ-CG2 3.84Å; F53-P130 WeakPolarHBondContact CB-O 3.37Å
54R93.5Very high92.7Very high148 Ų14859.1 Ų59.156%0.55829%0.288SS*.EExtended strand (participates in β ladder)trans-108.4146.2173.1-67.8-178.8-178.6-92.4-3110.4D57 S58R54-D57 PolarHBondContact NH1-O 3.33Å; R54-S58 CarbonylContact C-O 3.51Å; R54-S58 WeakPolarHBondContact CA-O 3.37Å
55F90.8Very high93Very high42 Ų4256 Ų5618%0.18427%0.266CS..EExtended strand (participates in β ladder)trans-127.7121168.6-171.9-112.9000106.8F53 D57 S58 I60 L73 F81 I134F53-F55 HydrophobicContact CE2-CB 4.37Å; F55-D57 VanDerWaalsContact C-N 3.34Å; F55-D57 PolarHBondContact O-N 3.09Å; F55-S58 PolarHBondContact N-O 2.81Å; F55-S58 PolarHBondContact O-N 2.97Å; F55-I60 HydrophobicContact CB-CD1 4.28Å; F55-I60 HydrophobicContact CB-CG1 3.83Å; F55-L73 HydrophobicContact CB-CD1 4.15Å; F55-L73 HydrophobicContact CD1-CD1 3.44Å; F55-L73 VanDerWaalsContact CD1-CD1 3.44Å; F55-L73 HydrophobicContact CD2-CD1 4.23Å; F55-L73 HydrophobicContact CE1-CD1 3.82Å; F55-L73 HydrophobicContact CG-CD1 3.68Å; F55-L73 HydrophobicContact CZ-CD1 4.34Å; F55-F81 HydrophobicContact CB-CE1 4.33Å; F55-F81 AromaticContact CD1-CD1 3.87Å; F55-F81 HydrophobicContact CD1-CD1 3.87Å; F55-F81 AromaticContact CD1-CE1 3.69Å; F55-F81 HydrophobicContact CD1-CE1 3.69Å; F55-F81 HydrophobicContact CG-CE1 4.46Å; F55-F81 WeakPolarHBondContact O-CE1 3.4Å; F55-F81 WeakPolarHBondContact O-CZ 2.99Å; F55-I134 HydrophobicContact CD2-CD1 3.72Å; F55-I134 HydrophobicContact CE2-CD1 3.41Å; F55-I134 VanDerWaalsContact CE2-CD1 3.41Å; F55-I134 HydrophobicContact CZ-CD1 4.42Å
56Y88.4Confident93.1Very high96 Ų9655.6 Ų55.638%0.37626%0.264SS..THydrogen-bonded Turntrans49.553.1-174.2-70.7-120.1000112.2H20 Y21 S58H20-Y56 HydrophobicContact CB-CD1 3.59Å; H20-Y56 HydrophobicContact CB-CE1 3.03Å; H20-Y56 AromaticContact CD2-CD1 3.94Å; H20-Y56 AromaticContact CD2-CE1 3.36Å; H20-Y56 WeakPolarHBondContact CD2-CE1 3.11Å; H20-Y56 AromaticContact CG-CD1 3.63Å; H20-Y56 AromaticContact CG-CE1 3.26Å; Y21-Y56 AromaticContact CD1-CZ 4Å; Y21-Y56 WeakPolarHBondContact CD1-OH 3.37Å; Y21-Y56 VanDerWaalsContact CE1-OH 3.28Å; Y21-Y56 WeakPolarHBondContact CE1-OH 3.31Å; Y56-S58 PolarHBondContact O-N 2.69Å
57D88.1Confident92.9Very high141 Ų14157.6 Ų57.675%0.75427%0.27SS*.THydrogen-bonded Turntrans59.4-1.1-177-60.7-40.3000116.8R54 F55R54-D57 PolarHBondContact NH1-O 3.33Å; F55-D57 VanDerWaalsContact C-N 3.34Å; F55-D57 PolarHBondContact O-N 3.09Å
58S92.6Very high92.8Very high29 Ų2959.5 Ų59.520%0.20328%0.279CS..EExtended strand (participates in β ladder)trans-94.1133.5176.9-64.30000111.2R54 F55 Y56 I60 F81R54-S58 CarbonylContact C-O 3.51Å; R54-S58 WeakPolarHBondContact CA-O 3.37Å; F55-S58 PolarHBondContact N-O 2.81Å; F55-S58 PolarHBondContact O-N 2.97Å; Y56-S58 PolarHBondContact O-N 2.69Å; S58-I60 PolarHBondContact O-N 2.78Å; S58-F81 WeakPolarHBondContact OG-CE2 3.39Å; S58-F81 WeakPolarHBondContact OG-CZ 3.45Å
59L95.2Very high92.6Very high67 Ų6753.8 Ų53.835%0.35126%0.255SS..EExtended strand (participates in β ladder)trans-70.1124.8175.1179.765.7000109.4
60I95.3Very high92.5Very high1 Ų155.7 Ų55.71%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-101.7120174.8-53.6-54.4000108F53 F55 S58 E62 V63 L73 T74 F81F53-I60 HydrophobicContact CD1-CB 4.47Å; F53-I60 HydrophobicContact CE1-CB 3.86Å; F53-I60 HydrophobicContact CE1-CG2 3.92Å; F53-I60 HydrophobicContact CE2-CB 3.92Å; F53-I60 HydrophobicContact CE2-CG1 3.89Å; F53-I60 HydrophobicContact CE2-CG2 4.34Å; F53-I60 HydrophobicContact CZ-CB 3.56Å; F53-I60 HydrophobicContact CZ-CG1 3.99Å; F53-I60 HydrophobicContact CZ-CG2 3.57Å; F53-I60 PolarHBondContact O-N 2.81Å; F53-I60 VanDerWaalsContact O-N 3.13Å; F55-I60 HydrophobicContact CB-CD1 4.28Å; F55-I60 HydrophobicContact CB-CG1 3.83Å; S58-I60 PolarHBondContact O-N 2.78Å; I60-E62 WeakPolarHBondContact CG2-O 3.49Å; I60-V63 HydrophobicContact CG2-CG1 4.17Å; I60-L73 HydrophobicContact CD1-CB 4.16Å; I60-L73 HydrophobicContact CG1-CB 4.44Å; I60-L73 HydrophobicContact CG2-CB 4.1Å; I60-L73 HydrophobicContact CG2-CD2 4.38Å; I60-T74 WeakPolarHBondContact CG2-O 3.43Å; I60-F81 HydrophobicContact CD1-CB 4.08Å; I60-F81 HydrophobicContact CD1-CD1 3.62Å; I60-F81 HydrophobicContact CD1-CE1 4.34Å; I60-F81 HydrophobicContact CD1-CG 3.94Å
61N93.7Very high92.5Very high69 Ų6950.6 Ų50.637%0.36924%0.238SC..  trans-99.6-25.8179.9-66.1-43.3000112.2P49 T74 R75P49-N61 WeakPolarHBondContact CD-O 3.43Å; N61-T74 PolarHBondContact N-O 2.89Å; N61-R75 VanDerWaalsContact CB-O 3.24Å; N61-R75 WeakPolarHBondContact CB-O 3.36Å; N61-R75 VanDerWaalsContact CG-O 3.31Å; N61-R75 PolarHBondContact ND2-O 2.86Å
62E94.3Very high92.5Very high18 Ų1853.2 Ų53.28%0.08425%0.247CC..EExtended strand (participates in β ladder)trans-141.6146.8-167.5-68.6176.1170.900110.2F46 K48 I60 T74 G77F46-E62 HydrophobicContact CE2-CB 3.79Å; F46-E62 HydrophobicContact CE2-CG 3.91Å; F46-E62 HydrophobicContact CZ-CB 4.02Å; F46-E62 HydrophobicContact CZ-CG 3.61Å; K48-E62 WeakPolarHBondContact CE-OE1 3.33Å; K48-E62 HydrophobicContact CG-CG 4.05Å; K48-E62 IonicContact NZ-OE1 2.69Å; K48-E62 PolarHBondContact NZ-OE1 2.78Å; I60-E62 WeakPolarHBondContact CG2-O 3.49Å; E62-T74 WeakPolarHBondContact CB-OG1 3.44Å; E62-T74 PolarHBondContact N-O 2.89Å; E62-T74 PolarHBondContact O-N 2.88Å; E62-T74 PolarHBondContact O-OG1 2.83Å; E62-G77 WeakPolarHBondContact OE2-CA 3.45Å; E62-G77 PolarHBondContact OE2-N 3.04Å
63V94.6Very high92.6Very high0 Ų048.9 Ų48.90%022%0.217CC..EExtended strand (participates in β ladder)trans-135.2141.6174.6-54.80000110.9V47 P49 F53 I60 I65 I71 R72 L73 L105V47-V63 HydrophobicContact CB-CG2 3.7Å; V47-V63 HydrophobicContact CG1-CG2 4.34Å; V47-V63 PolarHBondContact N-O 3Å; V47-V63 WeakPolarHBondContact O-CG2 3.41Å; V47-V63 PolarHBondContact O-N 3.38Å; P49-V63 HydrophobicContact CG-CG1 4.29Å; F53-V63 HydrophobicContact CZ-CG1 4.47Å; I60-V63 HydrophobicContact CG2-CG1 4.17Å; V63-I65 HydrophobicContact CG2-CD1 4.42Å; V63-I65 HydrophobicContact CG2-CG1 4.35Å; V63-I71 HydrophobicContact CB-CG2 4.02Å; V63-I71 HydrophobicContact CG1-CG2 4.38Å; V63-R72 CarbonylContact C-O 3.6Å; V63-R72 WeakPolarHBondContact CA-O 3.48Å; V63-L73 HydrophobicContact CG1-CD2 3.78Å; V63-L105 HydrophobicContact CG1-CD2 4.37Å; V63-L105 HydrophobicContact CG2-CD2 3.63Å
64Y94Very high92.7Very high53 Ų5348.7 Ų48.721%0.20822%0.216CC..EExtended strand (participates in β ladder)trans-110.1121.1172.5-73.4-91.8000109.6F46 I71 R72 T74 D78F46-Y64 HydrophobicContact CB-CD1 4.24Å; F46-Y64 HydrophobicContact CB-CE1 4.15Å; F46-Y64 AromaticContact CD2-CD1 3.93Å; F46-Y64 HydrophobicContact CD2-CD1 3.93Å; F46-Y64 HydrophobicContact CD2-CD2 4.2Å; F46-Y64 AromaticContact CD2-CE1 3.53Å; F46-Y64 HydrophobicContact CD2-CE1 3.53Å; F46-Y64 AromaticContact CD2-CE2 3.85Å; F46-Y64 HydrophobicContact CD2-CE2 3.85Å; F46-Y64 HydrophobicContact CD2-CG 4.27Å; F46-Y64 AromaticContact CD2-CZ 3.51Å; F46-Y64 HydrophobicContact CE2-CE1 4.38Å; F46-Y64 HydrophobicContact CE2-CE2 4.02Å; F46-Y64 AromaticContact CE2-CZ 3.91Å; F46-Y64 HydrophobicContact CG-CE1 4.27Å; Y64-I71 CarbonylContact O-C 3.47Å; Y64-I71 WeakPolarHBondContact O-CA 3.26Å; Y64-R72 PolarHBondContact N-O 3Å; Y64-R72 PolarHBondContact O-N 2.82Å; Y64-T74 HydrophobicContact CD2-CG2 4.05Å; Y64-T74 HydrophobicContact CE2-CG2 4.12Å; Y64-D78 PolarHBondContact OH-OD1 3.48Å
65I93.5Very high92.7Very high0 Ų046.5 Ų46.50%021%0.208CC..EExtended strand (participates in β ladder)trans-106.8121.5-178-55.4164.3000108F41 S44 Y45 V47 V63 R70 I71 T96 V98 V107F41-I65 HydrophobicContact CE1-CG2 4.42Å; F41-I65 VanDerWaalsContact CE2-O 3.27Å; F41-I65 WeakPolarHBondContact CE2-O 3.32Å; F41-I65 HydrophobicContact CZ-CB 4.34Å; F41-I65 HydrophobicContact CZ-CG2 3.82Å; S44-I65 CarbonylContact C-O 3.51Å; S44-I65 WeakPolarHBondContact CA-O 2.95Å; Y45-I65 PolarHBondContact N-O 3.24Å; Y45-I65 PolarHBondContact O-N 2.78Å; V47-I65 HydrophobicContact CB-CD1 4.47Å; V47-I65 HydrophobicContact CG2-CD1 3.77Å; V63-I65 HydrophobicContact CG2-CD1 4.42Å; V63-I65 HydrophobicContact CG2-CG1 4.35Å; I65-R70 WeakPolarHBondContact CA-O 3.5Å; I65-I71 HydrophobicContact CG1-CG1 4.48Å; I65-I71 HydrophobicContact CG1-CG2 4.37Å; I65-T96 HydrophobicContact CG2-CG2 4.25Å; I65-V98 HydrophobicContact CB-CG2 4.41Å; I65-V98 HydrophobicContact CD1-CB 4.15Å; I65-V98 HydrophobicContact CD1-CG1 3.44Å; I65-V98 VanDerWaalsContact CD1-CG1 3.44Å; I65-V98 HydrophobicContact CD1-CG2 3.53Å; I65-V98 HydrophobicContact CG2-CG2 4.07Å; I65-V107 HydrophobicContact CD1-CG2 3.62Å; I65-V107 HydrophobicContact CG1-CG2 4.04Å; I65-V107 HydrophobicContact CG2-CB 4.49Å; I65-V107 HydrophobicContact CG2-CG1 3.62Å; I65-V107 HydrophobicContact CG2-CG2 4.02Å
66Y92Very high92.5Very high51 Ų5151.6 Ų51.620%0.223%0.233CC..EExtended strand (participates in β ladder)trans-87.9155.6177.9-63.4-92.6000111.2H68 G69 R70 R72Y66-H68 WeakPolarHBondContact CB-CE1 3.47Å; Y66-H68 AromaticContact CG-CE1 3.71Å; Y66-H68 PolarHBondContact O-N 2.91Å; Y66-G69 PolarHBondContact O-N 2.89Å; Y66-R70 HydrophobicContact CD2-CB 3.91Å; Y66-R70 HydrophobicContact CD2-CG 3.89Å; Y66-R70 WeakPolarHBondContact CD2-O 3.36Å; Y66-R70 HydrophobicContact CE2-CG 4.34Å; Y66-R70 HydrophobicContact CG-CB 4.45Å; Y66-R70 PolarHBondContact N-O 3.33Å; Y66-R72 HydrophobicContact CE2-CB 4.01Å; Y66-R72 PolarHBondContact OH-NE 3.4Å; Y66-R72 PolarHBondContact OH-NH1 2.89Å; Y66-R72 PolarHBondContact OH-NH2 2.97Å
67Y87.9Confident92.2Very high122 Ų12248.4 Ų48.448%0.47823%0.229SC..THydrogen-bonded Turntrans-59.1-21-17975-86.7000113.4F43 G69 T96F43-Y67 WeakPolarHBondContact O-CD1 3.23Å; F43-Y67 PolarHBondContact O-N 2.79Å; Y67-G69 VanDerWaalsContact C-N 3.35Å; Y67-T96 PolarHBondContact O-OG1 3.11Å
68H87.9Confident91.9Very high47 Ų4747.9 Ų47.922%0.21823%0.226CC..THydrogen-bonded Turntrans-9110.9174.857.7-89.9000113.6Y66 R70 R109Y66-H68 WeakPolarHBondContact CB-CE1 3.47Å; Y66-H68 AromaticContact CG-CE1 3.71Å; Y66-H68 PolarHBondContact O-N 2.91Å; H68-R70 WeakPolarHBondContact NE2-CB 3.48Å; H68-R70 PolarHBondContact O-N 2.98Å; H68-R109 WeakPolarHBondContact O-CD 3.46Å; H68-R109 PolarHBondContact O-NE 3.15Å; H68-R109 PolarHBondContact O-NH1 3.07Å
69G89.5Confident92Very high4 Ų449.6 Ų49.64%0.04123%0.233CC..SBendtrans84.8-0.3172.700000115.8Y66 Y67Y66-G69 PolarHBondContact O-N 2.89Å; Y67-G69 VanDerWaalsContact C-N 3.35Å
70R93Very high91.9Very high57 Ų5752 Ų5222%0.21524%0.238CC..  trans-65137.5169.5175.9178.5172.6169.61.3109.9I65 Y66 H68 D83 E85I65-R70 WeakPolarHBondContact CA-O 3.5Å; Y66-R70 HydrophobicContact CD2-CB 3.91Å; Y66-R70 HydrophobicContact CD2-CG 3.89Å; Y66-R70 WeakPolarHBondContact CD2-O 3.36Å; Y66-R70 HydrophobicContact CE2-CG 4.34Å; Y66-R70 HydrophobicContact CG-CB 4.45Å; Y66-R70 PolarHBondContact N-O 3.33Å; H68-R70 WeakPolarHBondContact NE2-CB 3.48Å; H68-R70 PolarHBondContact O-N 2.98Å; R70-D83 IonicContact CZ-OD1 2.83Å; R70-D83 IonicContact CZ-OD2 3.09Å; R70-D83 IonicContact NE-OD1 3.49Å; R70-D83 PolarHBondContact NE-OD1 2.84Å; R70-D83 IonicContact NE-OD2 2.81Å; R70-D83 IonicContact NH2-OD1 3.74Å; R70-D83 PolarHBondContact NH2-OD1 3.02Å; R70-D83 VanDerWaalsContact NH2-OD1 3.09Å; R70-D83 IonicContact NH2-OD2 2.81Å; R70-D83 PolarHBondContact NH2-OD2 2.67Å; R70-E85 HydrophobicContact CB-CB 4.47Å; R70-E85 HydrophobicContact CB-CG 4.18Å; R70-E85 HydrophobicContact CG-CB 4.18Å; R70-E85 HydrophobicContact CG-CG 4.26Å; R70-E85 IonicContact NE-OE2 3.36Å; R70-E85 IonicContact NH1-OE2 3.67Å
71I95.2Very high91.8Very high1 Ų154.4 Ų54.41%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-117.2112.3176.1-50.2171.2000107.7V63 Y64 I65 L73 D83 I84 V107 I128V63-I71 HydrophobicContact CB-CG2 4.02Å; V63-I71 HydrophobicContact CG1-CG2 4.38Å; Y64-I71 CarbonylContact O-C 3.47Å; Y64-I71 WeakPolarHBondContact O-CA 3.26Å; I65-I71 HydrophobicContact CG1-CG1 4.48Å; I65-I71 HydrophobicContact CG1-CG2 4.37Å; I71-L73 HydrophobicContact CG2-CD2 4.09Å; I71-D83 CarbonylContact O-C 3.55Å; I71-D83 VanDerWaalsContact O-CA 3.29Å; I71-D83 WeakPolarHBondContact O-CA 3.49Å; I71-I84 HydrophobicContact CB-CB 4.22Å; I71-I84 PolarHBondContact N-O 2.88Å; I71-I84 PolarHBondContact O-N 2.97Å; I71-V107 HydrophobicContact CD1-CB 3.92Å; I71-V107 HydrophobicContact CD1-CG2 3.53Å; I71-V107 HydrophobicContact CG1-CB 4.34Å; I71-V107 HydrophobicContact CG1-CG2 3.9Å; I71-I128 HydrophobicContact CD1-CD1 4.27Å; I71-I128 HydrophobicContact CG2-CD1 4.35Å
72R95.4Very high91.8Very high76 Ų7651.6 Ų51.629%0.28724%0.236SC..EExtended strand (participates in β ladder)trans-87.4132.8170168.9179-65.3179.9-0.9109.4V63 Y64 Y66 T74 Y80 D83V63-R72 CarbonylContact C-O 3.6Å; V63-R72 WeakPolarHBondContact CA-O 3.48Å; Y64-R72 PolarHBondContact N-O 3Å; Y64-R72 PolarHBondContact O-N 2.82Å; Y66-R72 HydrophobicContact CE2-CB 4.01Å; Y66-R72 PolarHBondContact OH-NE 3.4Å; Y66-R72 PolarHBondContact OH-NH1 2.89Å; Y66-R72 PolarHBondContact OH-NH2 2.97Å; R72-T74 HydrophobicContact CG-CG2 4.15Å; R72-Y80 HydrophobicContact CG-CD2 3.83Å; R72-Y80 HydrophobicContact CG-CE2 4.14Å; R72-D83 WeakPolarHBondContact CA-OD1 3.26Å; R72-D83 VanDerWaalsContact CB-OD1 3.31Å; R72-D83 WeakPolarHBondContact CB-OD1 3.22Å; R72-D83 IonicContact NE-OD1 3.75Å
73L95.8Very high91.8Very high0 Ų052.7 Ų52.70%024%0.242CC..EExtended strand (participates in β ladder)trans-99.2129.6177.4-51.6179.8000109.2F53 F55 I60 V63 I71 F81 G82 I84 I128F53-L73 HydrophobicContact CZ-CD2 4.21Å; F55-L73 HydrophobicContact CB-CD1 4.15Å; F55-L73 HydrophobicContact CD1-CD1 3.44Å; F55-L73 VanDerWaalsContact CD1-CD1 3.44Å; F55-L73 HydrophobicContact CD2-CD1 4.23Å; F55-L73 HydrophobicContact CE1-CD1 3.82Å; F55-L73 HydrophobicContact CG-CD1 3.68Å; F55-L73 HydrophobicContact CZ-CD1 4.34Å; I60-L73 HydrophobicContact CD1-CB 4.16Å; I60-L73 HydrophobicContact CG1-CB 4.44Å; I60-L73 HydrophobicContact CG2-CB 4.1Å; I60-L73 HydrophobicContact CG2-CD2 4.38Å; V63-L73 HydrophobicContact CG1-CD2 3.78Å; I71-L73 HydrophobicContact CG2-CD2 4.09Å; L73-F81 PolarHBondContact O-N 3.11Å; L73-G82 PolarHBondContact N-O 2.78Å; L73-G82 PolarHBondContact O-N 2.89Å; L73-I84 HydrophobicContact CD1-CD1 4.29Å; L73-I84 HydrophobicContact CD1-CG1 4.32Å; L73-I84 HydrophobicContact CD2-CD1 4.14Å; L73-I128 HydrophobicContact CD2-CD1 4.47Å
74T95.4Very high91.7Very high1 Ų153.3 Ų53.31%0.00625%0.245CC..EExtended strand (participates in β ladder)trans-127.9143.3177.554.70000111.5I60 N61 E62 Y64 R72 G77 D79I60-T74 WeakPolarHBondContact CG2-O 3.43Å; N61-T74 PolarHBondContact N-O 2.89Å; E62-T74 WeakPolarHBondContact CB-OG1 3.44Å; E62-T74 PolarHBondContact N-O 2.89Å; E62-T74 PolarHBondContact O-N 2.88Å; E62-T74 PolarHBondContact O-OG1 2.83Å; Y64-T74 HydrophobicContact CD2-CG2 4.05Å; Y64-T74 HydrophobicContact CE2-CG2 4.12Å; R72-T74 HydrophobicContact CG-CG2 4.15Å; T74-G77 VanDerWaalsContact CB-O 3.31Å; T74-G77 WeakPolarHBondContact CB-O 3.28Å; T74-G77 PolarHBondContact OG1-O 3.03Å; T74-D79 WeakPolarHBondContact CA-O 3.43Å; T74-D79 WeakPolarHBondContact CB-O 3.26Å
75R93.8Very high91.5Very high101 Ų10155.6 Ų55.638%0.38126%0.258SS..SBendtrans-77.8-45.1177.6-68.3-178.2-66.4-160.6-4.4110.9N61 D79 F81N61-R75 VanDerWaalsContact CB-O 3.24Å; N61-R75 WeakPolarHBondContact CB-O 3.36Å; N61-R75 VanDerWaalsContact CG-O 3.31Å; N61-R75 PolarHBondContact ND2-O 2.86Å; R75-D79 WeakPolarHBondContact CB-OD2 3.42Å; R75-D79 IonicContact CZ-OD1 3.94Å; R75-D79 IonicContact CZ-OD2 3.56Å; R75-D79 PolarHBondContact N-O 2.87Å; R75-D79 IonicContact NE-OD1 2.86Å; R75-D79 IonicContact NE-OD2 3.92Å; R75-D79 PolarHBondContact NE-OD2 3.47Å; R75-D79 VanDerWaalsContact NH2-CG 3.29Å; R75-D79 IonicContact NH2-OD1 3.07Å; R75-D79 PolarHBondContact NH2-OD1 2.71Å; R75-D79 IonicContact NH2-OD2 2.73Å; R75-D79 PolarHBondContact NH2-OD2 2.82Å; R75-F81 HydrophobicContact CG-CB 4.26Å; R75-F81 HydrophobicContact CG-CD2 4.11Å; R75-F81 HydrophobicContact CG-CG 4.35Å
76E87.7Confident90.8Very high150 Ų15056.4 Ų56.470%0.70126%0.262SS*.SBendtrans-160.8127.8175.4-173.8173.2-173.200109.4D78 D79E76-D78 PolarHBondContact O-N 3.47Å; E76-D79 VanDerWaalsContact O-CB 3.29Å; E76-D79 WeakPolarHBondContact O-CB 3.43Å; E76-D79 PolarHBondContact O-N 2.78Å; E76-D79 VanDerWaalsContact O-N 3.13Å
77G82.5Confident90.2Very high29 Ų2961.7 Ų61.730%0.29929%0.286SS..THydrogen-bonded Turntrans58.6-126.2-174.600000111.5E62 T74E62-G77 WeakPolarHBondContact OE2-CA 3.45Å; E62-G77 PolarHBondContact OE2-N 3.04Å; T74-G77 VanDerWaalsContact CB-O 3.31Å; T74-G77 WeakPolarHBondContact CB-O 3.28Å; T74-G77 PolarHBondContact OG1-O 3.03Å
78D81.9Confident89.8Confident130 Ų13056.7 Ų56.770%0.69527%0.27SS*.THydrogen-bonded Turntrans-93.613.6-179.7-68.6-24000113.7Y64 E76 Y80Y64-D78 PolarHBondContact OH-OD1 3.48Å; E76-D78 PolarHBondContact O-N 3.47Å; D78-Y80 VanDerWaalsContact C-N 3.28Å; D78-Y80 PolarHBondContact O-N 2.81Å
79D93.5Very high89.5Confident65 Ų6560.7 Ų60.735%0.34829%0.289SS..  trans-68.486.5173.5-177.120.6000110.9T74 R75 E76 F81T74-D79 WeakPolarHBondContact CA-O 3.43Å; T74-D79 WeakPolarHBondContact CB-O 3.26Å; R75-D79 WeakPolarHBondContact CB-OD2 3.42Å; R75-D79 IonicContact CZ-OD1 3.94Å; R75-D79 IonicContact CZ-OD2 3.56Å; R75-D79 PolarHBondContact N-O 2.87Å; R75-D79 IonicContact NE-OD1 2.86Å; R75-D79 IonicContact NE-OD2 3.92Å; R75-D79 PolarHBondContact NE-OD2 3.47Å; R75-D79 VanDerWaalsContact NH2-CG 3.29Å; R75-D79 IonicContact NH2-OD1 3.07Å; R75-D79 PolarHBondContact NH2-OD1 2.71Å; R75-D79 IonicContact NH2-OD2 2.73Å; R75-D79 PolarHBondContact NH2-OD2 2.82Å; E76-D79 VanDerWaalsContact O-CB 3.29Å; E76-D79 WeakPolarHBondContact O-CB 3.43Å; E76-D79 PolarHBondContact O-N 2.78Å; E76-D79 VanDerWaalsContact O-N 3.13Å; D79-F81 PolarHBondContact O-N 3.18Å
80Y93.6Very high89.2Confident117 Ų11767.5 Ų67.546%0.45932%0.317SS..EExtended strand (participates in β ladder)trans-57.9127.1179.3173.3-99.4000111.8R72 D78 D83R72-Y80 HydrophobicContact CG-CD2 3.83Å; R72-Y80 HydrophobicContact CG-CE2 4.14Å; D78-Y80 VanDerWaalsContact C-N 3.28Å; D78-Y80 PolarHBondContact O-N 2.81Å; Y80-D83 WeakPolarHBondContact CE2-OD2 3.4Å; Y80-D83 VanDerWaalsContact CZ-OD2 3.31Å; Y80-D83 PolarHBondContact OH-OD2 2.86Å
81F93.2Very high88.8Confident52 Ų5267 Ų6723%0.22832%0.318CS..EExtended strand (participates in β ladder)trans-114.3-36176.3-169.1-102.6000113.4F55 S58 I60 L73 R75 D79F55-F81 HydrophobicContact CB-CE1 4.33Å; F55-F81 AromaticContact CD1-CD1 3.87Å; F55-F81 HydrophobicContact CD1-CD1 3.87Å; F55-F81 AromaticContact CD1-CE1 3.69Å; F55-F81 HydrophobicContact CD1-CE1 3.69Å; F55-F81 HydrophobicContact CG-CE1 4.46Å; F55-F81 WeakPolarHBondContact O-CE1 3.4Å; F55-F81 WeakPolarHBondContact O-CZ 2.99Å; S58-F81 WeakPolarHBondContact OG-CE2 3.39Å; S58-F81 WeakPolarHBondContact OG-CZ 3.45Å; I60-F81 HydrophobicContact CD1-CB 4.08Å; I60-F81 HydrophobicContact CD1-CD1 3.62Å; I60-F81 HydrophobicContact CD1-CE1 4.34Å; I60-F81 HydrophobicContact CD1-CG 3.94Å; L73-F81 PolarHBondContact O-N 3.11Å; R75-F81 HydrophobicContact CG-CB 4.26Å; R75-F81 HydrophobicContact CG-CD2 4.11Å; R75-F81 HydrophobicContact CG-CG 4.35Å; D79-F81 PolarHBondContact O-N 3.18Å
82G93.4Very high88.2Confident9 Ų973.7 Ų73.79%0.09334%0.343CS..EExtended strand (participates in β ladder)trans175.4-177.9-179.600000113.1L73L73-G82 PolarHBondContact N-O 2.78Å; L73-G82 PolarHBondContact O-N 2.89Å
83D93.8Very high87.6Confident42 Ų4280.4 Ų80.423%0.22537%0.369CS..EExtended strand (participates in β ladder)trans-132.5147.3176.7-62.9-79.9000111.7R70 I71 R72 Y80R70-D83 IonicContact CZ-OD1 2.83Å; R70-D83 IonicContact CZ-OD2 3.09Å; R70-D83 IonicContact NE-OD1 3.49Å; R70-D83 PolarHBondContact NE-OD1 2.84Å; R70-D83 IonicContact NE-OD2 2.81Å; R70-D83 IonicContact NH2-OD1 3.74Å; R70-D83 PolarHBondContact NH2-OD1 3.02Å; R70-D83 VanDerWaalsContact NH2-OD1 3.09Å; R70-D83 IonicContact NH2-OD2 2.81Å; R70-D83 PolarHBondContact NH2-OD2 2.67Å; I71-D83 CarbonylContact O-C 3.55Å; I71-D83 VanDerWaalsContact O-CA 3.29Å; I71-D83 WeakPolarHBondContact O-CA 3.49Å; R72-D83 WeakPolarHBondContact CA-OD1 3.26Å; R72-D83 VanDerWaalsContact CB-OD1 3.31Å; R72-D83 WeakPolarHBondContact CB-OD1 3.22Å; R72-D83 IonicContact NE-OD1 3.75Å; Y80-D83 WeakPolarHBondContact CE2-OD2 3.4Å; Y80-D83 VanDerWaalsContact CZ-OD2 3.31Å; Y80-D83 PolarHBondContact OH-OD2 2.86Å
84I93.1Very high87.3Confident13 Ų1382.3 Ų82.37%0.06738%0.382CS..EExtended strand (participates in β ladder)trans-109.5111.8161.7-54.6164.2000105.3I71 L73 I128 I134 L136I71-I84 HydrophobicContact CB-CB 4.22Å; I71-I84 PolarHBondContact N-O 2.88Å; I71-I84 PolarHBondContact O-N 2.97Å; L73-I84 HydrophobicContact CD1-CD1 4.29Å; L73-I84 HydrophobicContact CD1-CG1 4.32Å; L73-I84 HydrophobicContact CD2-CD1 4.14Å; I84-I128 HydrophobicContact CD1-CD1 3.77Å; I84-I128 HydrophobicContact CD1-CG1 4.05Å; I84-I134 HydrophobicContact CD1-CD1 3.55Å; I84-I134 HydrophobicContact CD1-CG1 4.04Å; I84-I134 HydrophobicContact CD1-CG2 4.26Å; I84-I134 HydrophobicContact CG1-CD1 4.09Å; I84-I134 HydrophobicContact CG2-CG2 4.33Å; I84-L136 HydrophobicContact CG2-CD2 4.22Å
85E89Confident87Confident101 Ų10186.4 Ų86.447%0.47240%0.401SS..  trans-129.6140.9-176-174.2165.3-16800111R70R70-E85 HydrophobicContact CB-CB 4.47Å; R70-E85 HydrophobicContact CB-CG 4.18Å; R70-E85 HydrophobicContact CG-CB 4.18Å; R70-E85 HydrophobicContact CG-CG 4.26Å; R70-E85 IonicContact NE-OE2 3.36Å; R70-E85 IonicContact NH1-OE2 3.67Å
86H79.7Confident86.8Confident17 Ų1781.8 Ų81.88%0.07938%0.384CS..  trans-110.8129.4172.6-60.6-104.1000108.9M124 S126 L136 F138H86-M124 HydrophobicContact CB-CE 4.43Å; H86-M124 HydrophobicContact CB-SD 3.6Å; H86-M124 VanDerWaalsContact CB-SD 3.6Å; H86-S126 PolarHBondContact CD2-OG 2.82Å; H86-S126 PolarHBondContact NE2-OG 3.17Å; H86-L136 WeakPolarHBondContact CE1-CD2 3.27Å; H86-F138 AromaticContact CE1-CZ 3.92Å; H86-F138 AromaticContact ND1-CE1 3.39Å; H86-F138 WeakPolarHBondContact ND1-CE1 3.42Å; H86-F138 AromaticContact ND1-CZ 3.4Å; H86-F138 WeakPolarHBondContact ND1-CZ 3.21Å
87F79Confident87Confident162 Ų16275 Ų7571%0.71135%0.353SS*.  trans-106.2122.7173.5-175.8-105000109.9Q89F87-Q89 HydrophobicContact CD1-CG 4.29Å; F87-Q89 HydrophobicContact CE1-CG 3.36Å; F87-Q89 HydrophobicContact CZ-CG 3.78Å
88A79.8Confident87.4Confident16 Ų1674.2 Ų74.213%0.13234%0.342CS..  trans-125.5137.3163.400000108.8I91 F111 M124A88-I91 HydrophobicContact CB-CD1 3.67Å; A88-I91 HydrophobicContact CB-CG1 3.85Å; A88-I91 WeakPolarHBondContact O-CD1 3.38Å; A88-I91 WeakPolarHBondContact O-CG1 3.24Å; A88-F111 HydrophobicContact CB-CE2 3.89Å; A88-F111 HydrophobicContact CB-CZ 4.22Å; A88-M124 HydrophobicContact CB-CE 3.51Å
89Q81.8Confident87.8Confident132 Ų13270.3 Ų70.362%0.61732%0.319SS*.SBendtrans-81.2158.8175.5-62-175.912.500110.5F87 I91F87-Q89 HydrophobicContact CD1-CG 4.29Å; F87-Q89 HydrophobicContact CE1-CG 3.36Å; F87-Q89 HydrophobicContact CZ-CG 3.78Å; Q89-I91 PolarHBondContact O-N 3.17Å; Q89-I91 VanDerWaalsContact O-N 3.17Å
90K83.8Confident87.7Confident146 Ų14668.8 Ų68.864%0.63531%0.311SS*.SBendtrans57.730171.7-53.2178.5-178.2178.60114.3R92 I113 T114K90-R92 PolarHBondContact O-N 2.82Å; K90-I113 HydrophobicContact CB-CG2 4.24Å; K90-T114 WeakPolarHBondContact CD-O 3.08Å; K90-T114 PolarHBondContact O-N 2.77Å
91I83.6Confident87.7Confident48 Ų4867 Ų6725%0.24631%0.307CS..EExtended strand (participates in β ladder)trans-68.5124.8175.6-60.7177.5000109.6A88 Q89 R109 F111 L112A88-I91 HydrophobicContact CB-CD1 3.67Å; A88-I91 HydrophobicContact CB-CG1 3.85Å; A88-I91 WeakPolarHBondContact O-CD1 3.38Å; A88-I91 WeakPolarHBondContact O-CG1 3.24Å; Q89-I91 PolarHBondContact O-N 3.17Å; Q89-I91 VanDerWaalsContact O-N 3.17Å; I91-R109 VanDerWaalsContact CD1-NH1 3.34Å; I91-F111 HydrophobicContact CB-CD2 4.4Å; I91-F111 HydrophobicContact CD1-CD2 4.08Å; I91-F111 HydrophobicContact CD1-CE2 4.21Å; I91-F111 HydrophobicContact CG1-CD2 3.76Å; I91-F111 HydrophobicContact CG1-CE2 4.04Å; I91-F111 HydrophobicContact CG2-CB 3.82Å; I91-F111 HydrophobicContact CG2-CD2 4.02Å; I91-F111 HydrophobicContact CG2-CG 4.25Å; I91-L112 CarbonylContact C-O 3.59Å; I91-L112 WeakPolarHBondContact CA-O 3.32Å
92R82Confident87.6Confident141 Ų14172.1 Ų72.153%0.53233%0.329SS..EExtended strand (participates in β ladder)trans-113.7119167.7-71.6-169.3171.7-178.7-1.3109.1K90 L112 T114 D119K90-R92 PolarHBondContact O-N 2.82Å; R92-L112 HydrophobicContact CB-CB 4.36Å; R92-L112 PolarHBondContact N-O 3.31Å; R92-L112 WeakPolarHBondContact O-CB 3.34Å; R92-L112 PolarHBondContact O-N 3.46Å; R92-T114 VanDerWaalsContact CD-OG1 3.29Å; R92-T114 WeakPolarHBondContact CD-OG1 3.36Å; R92-T114 PolarHBondContact NE-OG1 2.93Å; R92-D119 WeakPolarHBondContact CD-OD1 3.45Å; R92-D119 IonicContact NH1-OD1 3.16Å
93R84.2Confident87.6Confident216 Ų21679.1 Ų79.182%0.81536%0.359SS*.EExtended strand (participates in β ladder)trans59139.9-177.6-54.6177.4177.2178.1-0.8112.2F111 L112R93-F111 WeakPolarHBondContact O-CA 3.41Å; R93-F111 VanDerWaalsContact O-CB 3.29Å; R93-F111 WeakPolarHBondContact O-CB 3.49Å; R93-L112 PolarHBondContact O-N 2.84Å
94S88.3Confident87.6Confident41 Ų4178.6 Ų78.629%0.28736%0.356SS..EExtended strand (participates in β ladder)trans-150.2143.5172.360.30000110.6R109 N110S94-R109 PolarHBondContact OG-NE 2.78Å; S94-R109 PolarHBondContact OG-NH2 2.81Å; S94-R109 VanDerWaalsContact OG-NH2 3.17Å; S94-N110 CarbonylContact C-O 3.58Å; S94-N110 VanDerWaalsContact CA-O 3.26Å; S94-N110 WeakPolarHBondContact CA-O 3.48Å
95E90Very high87.6Confident87 Ų8778 Ų7841%0.40735%0.353SS..EExtended strand (participates in β ladder)trans-117.4134.1169.9-178.1176.2-156.700108.1N40 V97 R109 N110N40-E95 PolarHBondContact ND2-OE1 3.01Å; E95-V97 HydrophobicContact CG-CG1 4.44Å; E95-R109 CarbonylContact O-C 3.54Å; E95-R109 VanDerWaalsContact O-CA 3.31Å; E95-R109 WeakPolarHBondContact O-CA 3.49Å; E95-N110 PolarHBondContact N-O 2.83Å; E95-N110 PolarHBondContact O-N 2.84Å
96T89.8Confident87.8Confident3 Ų373.3 Ų73.32%0.01833%0.332CS..EExtended strand (participates in β ladder)trans-117.9130.4176.5-62.10000109.1F41 I65 Y67 V107 K108F41-T96 HydrophobicContact CE1-CG2 3.81Å; F41-T96 HydrophobicContact CZ-CG2 3.76Å; I65-T96 HydrophobicContact CG2-CG2 4.25Å; Y67-T96 PolarHBondContact O-OG1 3.11Å; T96-V107 HydrophobicContact CG2-CG1 3.59Å; T96-K108 CarbonylContact C-O 3.58Å; T96-K108 WeakPolarHBondContact CA-O 3.41Å
97V90.9Very high88.4Confident8 Ų872.6 Ų72.65%0.04833%0.328CS..EExtended strand (participates in β ladder)trans-121.2149.2175.8-60.90000109.8Y38 E95 K108Y38-V97 HydrophobicContact CD1-CB 4.05Å; Y38-V97 HydrophobicContact CD1-CG2 4.18Å; Y38-V97 HydrophobicContact CD2-CB 3.87Å; Y38-V97 HydrophobicContact CD2-CG1 3.8Å; Y38-V97 HydrophobicContact CD2-CG2 3.96Å; Y38-V97 HydrophobicContact CE1-CG2 4.23Å; Y38-V97 HydrophobicContact CE2-CB 4.36Å; Y38-V97 HydrophobicContact CE2-CG1 4.49Å; Y38-V97 HydrophobicContact CE2-CG2 3.94Å; Y38-V97 HydrophobicContact CG-CB 3.68Å; Y38-V97 HydrophobicContact CG-CG1 3.96Å; Y38-V97 HydrophobicContact CG-CG2 4.07Å; E95-V97 HydrophobicContact CG-CG1 4.44Å; V97-K108 HydrophobicContact CG2-CB 3.71Å; V97-K108 HydrophobicContact CG2-CD 4.22Å; V97-K108 HydrophobicContact CG2-CG 4.18Å; V97-K108 PolarHBondContact N-O 2.84Å; V97-K108 PolarHBondContact O-N 2.93Å
98V91.4Very high89Confident13 Ų1366.4 Ų66.48%0.07930%0.301CS..EExtended strand (participates in β ladder)trans-125134.7-175.2-176.50000110F41 Y45 V47 I65 L105 A106F41-V98 HydrophobicContact CD1-CG2 4.45Å; F41-V98 HydrophobicContact CE1-CG2 3.75Å; Y45-V98 HydrophobicContact CD1-CB 4.22Å; Y45-V98 HydrophobicContact CD1-CG1 4.34Å; Y45-V98 HydrophobicContact CD1-CG2 4.05Å; Y45-V98 HydrophobicContact CE1-CB 4.43Å; Y45-V98 HydrophobicContact CE1-CG1 4.43Å; V47-V98 HydrophobicContact CG2-CG1 4.19Å; I65-V98 HydrophobicContact CB-CG2 4.41Å; I65-V98 HydrophobicContact CD1-CB 4.15Å; I65-V98 HydrophobicContact CD1-CG1 3.44Å; I65-V98 VanDerWaalsContact CD1-CG1 3.44Å; I65-V98 HydrophobicContact CD1-CG2 3.53Å; I65-V98 HydrophobicContact CG2-CG2 4.07Å; V98-L105 HydrophobicContact CG1-CD1 3.85Å; V98-A106 WeakPolarHBondContact CA-O 3.38Å
99F90.2Very high89.5Confident48 Ų4866.8 Ų66.821%0.21130%0.299CS..EExtended strand (participates in β ladder)trans-122117.3174.9176.3-91.5000108.7F34 E101 L104 L105 A106F34-F99 HydrophobicContact CD1-CD1 4.3Å; F34-F99 HydrophobicContact CD1-CE1 4.49Å; F99-E101 HydrophobicContact CD1-CB 4.33Å; F99-E101 HydrophobicContact CD1-CG 4.13Å; F99-E101 HydrophobicContact CD2-CG 4.26Å; F99-E101 HydrophobicContact CE1-CB 3.56Å; F99-E101 HydrophobicContact CE1-CG 3.42Å; F99-E101 VanDerWaalsContact CE1-CG 3.42Å; F99-E101 HydrophobicContact CE2-CG 3.55Å; F99-E101 HydrophobicContact CZ-CB 3.72Å; F99-E101 HydrophobicContact CZ-CG 3.11Å; F99-L104 HydrophobicContact CD1-CD1 3.37Å; F99-L104 HydrophobicContact CD1-CG 4.28Å; F99-L104 HydrophobicContact CE1-CD1 3.51Å; F99-L104 HydrophobicContact CE1-CG 3.95Å; F99-L105 CarbonylContact O-C 3.58Å; F99-L105 VanDerWaalsContact O-CA 3.28Å; F99-L105 WeakPolarHBondContact O-CA 3.28Å; F99-L105 WeakPolarHBondContact O-CD1 3.45Å; F99-A106 HydrophobicContact CB-CB 4.22Å; F99-A106 HydrophobicContact CD1-CB 4.48Å; F99-A106 PolarHBondContact N-O 2.93Å; F99-A106 PolarHBondContact O-N 2.77Å
100N91.8Very high89.9Confident33 Ų3362.6 Ų62.618%0.17628%0.281CS..EExtended strand (participates in β ladder)trans-124.194.1-177.1178.425.4000109.6V47 K48 P49 K50 L105V47-N100 HydrophobicContact CG1-CB 3.95Å; V47-N100 WeakPolarHBondContact CG1-ND2 3.31Å; K48-N100 PolarHBondContact O-ND2 2.82Å; P49-N100 WeakPolarHBondContact CA-OD1 3.38Å; K50-N100 WeakPolarHBondContact CD-O 3.29Å; K50-N100 WeakPolarHBondContact CE-O 3.21Å; K50-N100 PolarHBondContact N-OD1 3.24Å; K50-N100 PolarHBondContact NZ-O 3.38Å; N100-L105 HydrophobicContact CB-CD1 3.92Å
101E92Very high90.2Very high78 Ų7856 Ų5636%0.36425%0.253SS..EExtended strand (participates in β ladder)trans-118.6168.8178.5-68.9-51.7139.400112.3K50 F51 F99 E103 L104K50-E101 IonicContact NZ-OE1 3.76Å; K50-E101 PolarHBondContact NZ-OE1 3.16Å; K50-E101 IonicContact NZ-OE2 3.93Å; K50-E101 PolarHBondContact NZ-OE2 3.25Å; F51-E101 VanDerWaalsContact CD1-O 3.26Å; F51-E101 WeakPolarHBondContact CD1-O 3.46Å; F51-E101 WeakPolarHBondContact CE1-O 3.5Å; F99-E101 HydrophobicContact CD1-CB 4.33Å; F99-E101 HydrophobicContact CD1-CG 4.13Å; F99-E101 HydrophobicContact CD2-CG 4.26Å; F99-E101 HydrophobicContact CE1-CB 3.56Å; F99-E101 HydrophobicContact CE1-CG 3.42Å; F99-E101 VanDerWaalsContact CE1-CG 3.42Å; F99-E101 HydrophobicContact CE2-CG 3.55Å; F99-E101 HydrophobicContact CZ-CB 3.72Å; F99-E101 HydrophobicContact CZ-CG 3.11Å; E101-E103 PolarHBondContact O-N 2.77Å; E101-E103 VanDerWaalsContact O-N 3.13Å; E101-L104 CarbonylContact C-O 3.57Å; E101-L104 PolarHBondContact N-O 3.33Å; E101-L104 PolarHBondContact O-N 2.93Å
102K92.4Very high90.6Very high160 Ų16056 Ų5670%0.69625%0.253SS*.THydrogen-bonded Turntrans-58.2-27.3-177.5-68.3-178.3177.7179.70113.3K50K50-K102 HydrophobicContact CB-CG 4.35Å
103E92.8Very high91Very high157 Ų15750.4 Ų50.473%0.73423%0.233SC*.THydrogen-bonded Turntrans-97.3-21.1-174.3-62.3-177.3173.400113.5E101 P130E101-E103 PolarHBondContact O-N 2.77Å; E101-E103 VanDerWaalsContact O-N 3.13Å; E103-P130 WeakPolarHBondContact O-CD 3.48Å
104L94Very high91.1Very high30 Ų3041 Ų4116%0.15720%0.2CC..EExtended strand (participates in β ladder)trans-168156.2-179.563.994.8000112.3F34 F99 E101 A106 V127 I128F34-L104 HydrophobicContact CD1-CD1 4.36Å; F34-L104 HydrophobicContact CE1-CD1 3.64Å; F34-L104 HydrophobicContact CE1-CD2 4.08Å; F34-L104 HydrophobicContact CZ-CD1 4.41Å; F99-L104 HydrophobicContact CD1-CD1 3.37Å; F99-L104 HydrophobicContact CD1-CG 4.28Å; F99-L104 HydrophobicContact CE1-CD1 3.51Å; F99-L104 HydrophobicContact CE1-CG 3.95Å; E101-L104 CarbonylContact C-O 3.57Å; E101-L104 PolarHBondContact N-O 3.33Å; E101-L104 PolarHBondContact O-N 2.93Å; L104-A106 HydrophobicContact CD1-CB 3.68Å; L104-V127 HydrophobicContact CB-CG1 4Å; L104-V127 HydrophobicContact CD1-CG1 4.18Å; L104-V127 HydrophobicContact CD2-CG1 4.38Å; L104-V127 HydrophobicContact CG-CG1 4.44Å; L104-I128 CarbonylContact C-O 3.52Å; L104-I128 VanDerWaalsContact CA-O 3.26Å; L104-I128 WeakPolarHBondContact CA-O 3.43Å; L104-I128 WeakPolarHBondContact CB-O 3.33Å
105L93.8Very high91Very high1 Ų142.5 Ų42.51%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-111.1119.7164.6168.768000107.6V47 P49 F51 V63 V98 F99 N100 V127 I128V47-L105 HydrophobicContact CG1-CD1 4.12Å; P49-L105 HydrophobicContact CG-CD2 4.35Å; F51-L105 HydrophobicContact CE1-CB 3.98Å; F51-L105 HydrophobicContact CZ-CB 3.79Å; V63-L105 HydrophobicContact CG1-CD2 4.37Å; V63-L105 HydrophobicContact CG2-CD2 3.63Å; V98-L105 HydrophobicContact CG1-CD1 3.85Å; F99-L105 CarbonylContact O-C 3.58Å; F99-L105 VanDerWaalsContact O-CA 3.28Å; F99-L105 WeakPolarHBondContact O-CA 3.28Å; F99-L105 WeakPolarHBondContact O-CD1 3.45Å; N100-L105 HydrophobicContact CB-CD1 3.92Å; L105-V127 CarbonylContact O-C 3.6Å; L105-V127 WeakPolarHBondContact O-CA 3.15Å; L105-I128 HydrophobicContact CB-CB 4.35Å; L105-I128 HydrophobicContact CD2-CD1 3.98Å; L105-I128 PolarHBondContact N-O 3.13Å; L105-I128 PolarHBondContact O-N 2.91Å
106A93.3Very high90.8Very high2 Ų247.6 Ų47.62%0.01723%0.228CC..EExtended strand (participates in β ladder)trans-116141.4175.200000112.2F34 V98 F99 L104 T125 S126 V127F34-A106 HydrophobicContact CD1-CB 4.23Å; F34-A106 HydrophobicContact CE1-CB 3.84Å; F34-A106 HydrophobicContact CE2-CB 4.17Å; F34-A106 HydrophobicContact CZ-CB 3.79Å; V98-A106 WeakPolarHBondContact CA-O 3.38Å; F99-A106 HydrophobicContact CB-CB 4.22Å; F99-A106 HydrophobicContact CD1-CB 4.48Å; F99-A106 PolarHBondContact N-O 2.93Å; F99-A106 PolarHBondContact O-N 2.77Å; L104-A106 HydrophobicContact CD1-CB 3.68Å; A106-T125 HydrophobicContact CB-CG2 4.46Å; A106-S126 CarbonylContact C-O 3.56Å; A106-S126 WeakPolarHBondContact CA-O 3.42Å; A106-V127 HydrophobicContact CB-CG2 4.13Å
107V92.7Very high90.7Very high2 Ų254.9 Ų54.91%0.01227%0.267CS..EExtended strand (participates in β ladder)trans-124.3110.7174-178.50000107.5I65 I71 T96 T125 S126I65-V107 HydrophobicContact CD1-CG2 3.62Å; I65-V107 HydrophobicContact CG1-CG2 4.04Å; I65-V107 HydrophobicContact CG2-CB 4.49Å; I65-V107 HydrophobicContact CG2-CG1 3.62Å; I65-V107 HydrophobicContact CG2-CG2 4.02Å; I71-V107 HydrophobicContact CD1-CB 3.92Å; I71-V107 HydrophobicContact CD1-CG2 3.53Å; I71-V107 HydrophobicContact CG1-CB 4.34Å; I71-V107 HydrophobicContact CG1-CG2 3.9Å; T96-V107 HydrophobicContact CG2-CG1 3.59Å; V107-T125 CarbonylContact O-C 3.55Å; V107-T125 WeakPolarHBondContact O-CA 2.84Å; V107-S126 PolarHBondContact N-O 2.83Å; V107-S126 PolarHBondContact O-N 2.84Å
108K91.1Very high90.6Very high32 Ų3258.7 Ų58.714%0.13929%0.29CS..EExtended strand (participates in β ladder)trans-108.3127.5-179174.6-178.9177-171.80109D36 T96 V97 M124 T125D36-K108 IonicContact OD1-NZ 3.58Å; D36-K108 PolarHBondContact OD1-NZ 2.88Å; T96-K108 CarbonylContact C-O 3.58Å; T96-K108 WeakPolarHBondContact CA-O 3.41Å; V97-K108 HydrophobicContact CG2-CB 3.71Å; V97-K108 HydrophobicContact CG2-CD 4.22Å; V97-K108 HydrophobicContact CG2-CG 4.18Å; V97-K108 PolarHBondContact N-O 2.84Å; V97-K108 PolarHBondContact O-N 2.93Å; K108-M124 CarbonylContact C-O 3.56Å; K108-M124 WeakPolarHBondContact CA-O 3.37Å; K108-T125 HydrophobicContact CB-CG2 4.12Å
109R89.7Confident90.5Very high24 Ų2461.3 Ų61.39%0.09130%0.304CS..EExtended strand (participates in β ladder)trans-114.8119176.9-170.2-177.1-175.2-165.8-4.6108.9H68 I91 S94 E95 F111 K123 M124H68-R109 WeakPolarHBondContact O-CD 3.46Å; H68-R109 PolarHBondContact O-NE 3.15Å; H68-R109 PolarHBondContact O-NH1 3.07Å; I91-R109 VanDerWaalsContact CD1-NH1 3.34Å; S94-R109 PolarHBondContact OG-NE 2.78Å; S94-R109 PolarHBondContact OG-NH2 2.81Å; S94-R109 VanDerWaalsContact OG-NH2 3.17Å; E95-R109 CarbonylContact O-C 3.54Å; E95-R109 VanDerWaalsContact O-CA 3.31Å; E95-R109 WeakPolarHBondContact O-CA 3.49Å; R109-F111 HydrophobicContact CB-CD1 4.44Å; R109-F111 HydrophobicContact CG-CD1 3.95Å; R109-K123 WeakPolarHBondContact O-CA 3.41Å; R109-M124 PolarHBondContact N-O 2.96Å; R109-M124 PolarHBondContact O-N 3.28Å
110N89.9Confident90.5Very high44 Ų4461.2 Ų61.224%0.23531%0.307CS..EExtended strand (participates in β ladder)trans-98.3135.7167.6-55.6-68.6000108.3S94 E95 K123S94-N110 CarbonylContact C-O 3.58Å; S94-N110 VanDerWaalsContact CA-O 3.26Å; S94-N110 WeakPolarHBondContact CA-O 3.48Å; E95-N110 PolarHBondContact N-O 2.83Å; E95-N110 PolarHBondContact O-N 2.84Å; N110-K123 WeakPolarHBondContact OD1-CG 3.29Å
111F90.7Very high90.6Very high8 Ų863.4 Ų63.44%0.03532%0.323CS..EExtended strand (participates in β ladder)trans-156.3162.9-17857.6-80.3000111.8A88 I91 R93 R109 I113 A122 M124 V141A88-F111 HydrophobicContact CB-CE2 3.89Å; A88-F111 HydrophobicContact CB-CZ 4.22Å; I91-F111 HydrophobicContact CB-CD2 4.4Å; I91-F111 HydrophobicContact CD1-CD2 4.08Å; I91-F111 HydrophobicContact CD1-CE2 4.21Å; I91-F111 HydrophobicContact CG1-CD2 3.76Å; I91-F111 HydrophobicContact CG1-CE2 4.04Å; I91-F111 HydrophobicContact CG2-CB 3.82Å; I91-F111 HydrophobicContact CG2-CD2 4.02Å; I91-F111 HydrophobicContact CG2-CG 4.25Å; R93-F111 WeakPolarHBondContact O-CA 3.41Å; R93-F111 VanDerWaalsContact O-CB 3.29Å; R93-F111 WeakPolarHBondContact O-CB 3.49Å; R109-F111 HydrophobicContact CB-CD1 4.44Å; R109-F111 HydrophobicContact CG-CD1 3.95Å; F111-I113 HydrophobicContact CD2-CD1 4.31Å; F111-I113 HydrophobicContact CD2-CG1 3.68Å; F111-I113 HydrophobicContact CE2-CD1 3.56Å; F111-I113 HydrophobicContact CE2-CG1 3.43Å; F111-I113 VanDerWaalsContact CE2-CG1 3.43Å; F111-I113 HydrophobicContact CZ-CD1 4.35Å; F111-A122 HydrophobicContact CD2-CB 4.16Å; F111-A122 HydrophobicContact CE1-CB 4.27Å; F111-A122 HydrophobicContact CE2-CB 3.72Å; F111-A122 HydrophobicContact CZ-CB 3.74Å; F111-A122 PolarHBondContact N-O 2.85Å; F111-A122 PolarHBondContact O-N 2.86Å; F111-A122 VanDerWaalsContact O-O 3.09Å; F111-M124 HydrophobicContact CE1-CB 4.04Å; F111-M124 HydrophobicContact CE1-CE 4.49Å; F111-M124 HydrophobicContact CE1-CG 3.66Å; F111-M124 HydrophobicContact CE1-SD 3.78Å; F111-M124 HydrophobicContact CZ-CE 3.79Å; F111-M124 HydrophobicContact CZ-CG 3.83Å; F111-M124 HydrophobicContact CZ-SD 3.67Å; F111-V141 HydrophobicContact CZ-CG2 4.22Å
112L91.5Very high90.5Very high49 Ų4959.8 Ų59.826%0.25731%0.306SS..EExtended strand (participates in β ladder)trans-101.1140.1170.9-52.6168.1000109.2I91 R92 R93 D119 V120 P121I91-L112 CarbonylContact C-O 3.59Å; I91-L112 WeakPolarHBondContact CA-O 3.32Å; R92-L112 HydrophobicContact CB-CB 4.36Å; R92-L112 PolarHBondContact N-O 3.31Å; R92-L112 WeakPolarHBondContact O-CB 3.34Å; R92-L112 PolarHBondContact O-N 3.46Å; R93-L112 PolarHBondContact O-N 2.84Å; L112-D119 HydrophobicContact CB-CB 4.15Å; L112-D119 HydrophobicContact CD1-CB 4.18Å; L112-V120 CarbonylContact C-O 3.6Å; L112-V120 WeakPolarHBondContact CA-O 3.22Å; L112-P121 HydrophobicContact CD2-CB 4.12Å
113I89.7Confident90.4Very high22 Ų2256 Ų5611%0.11329%0.29CS..EExtended strand (participates in β ladder)trans-113.8133.7170.1-53.9173.8000107.8K90 F111 V115 V120 A122 V141K90-I113 HydrophobicContact CB-CG2 4.24Å; F111-I113 HydrophobicContact CD2-CD1 4.31Å; F111-I113 HydrophobicContact CD2-CG1 3.68Å; F111-I113 HydrophobicContact CE2-CD1 3.56Å; F111-I113 HydrophobicContact CE2-CG1 3.43Å; F111-I113 VanDerWaalsContact CE2-CG1 3.43Å; F111-I113 HydrophobicContact CZ-CD1 4.35Å; I113-V115 HydrophobicContact CG2-CG2 4.3Å; I113-V115 PolarHBondContact O-N 2.88Å; I113-V120 PolarHBondContact N-O 3.24Å; I113-V120 PolarHBondContact O-N 3.2Å; I113-A122 HydrophobicContact CD1-CB 3.61Å; I113-A122 HydrophobicContact CG1-CB 3.96Å; I113-V141 HydrophobicContact CD1-CG2 4.22Å
114T88Confident90.3Very high19 Ų1948.9 Ų48.912%0.11726%0.257CS..EExtended strand (participates in β ladder)trans-80114.3172.8-54.50000111K90 R92 T118 D119K90-T114 WeakPolarHBondContact CD-O 3.08Å; K90-T114 PolarHBondContact O-N 2.77Å; R92-T114 VanDerWaalsContact CD-OG1 3.29Å; R92-T114 WeakPolarHBondContact CD-OG1 3.36Å; R92-T114 PolarHBondContact NE-OG1 2.93Å; T114-T118 CarbonylContact C-O 3.6Å; T114-T118 WeakPolarHBondContact CA-O 3.26Å; T114-D119 PolarHBondContact OG1-OD1 3.37Å
115V84.4Confident90.2Very high73 Ų7347.5 Ų47.544%0.44225%0.249SC..EExtended strand (participates in β ladder)trans-119.1118.4173.7-178.60000108.4I113 D117 T118 V120I113-V115 HydrophobicContact CG2-CG2 4.3Å; I113-V115 PolarHBondContact O-N 2.88Å; V115-D117 VanDerWaalsContact C-N 3.28Å; V115-D117 PolarHBondContact O-N 3.15Å; V115-T118 PolarHBondContact N-O 3.48Å; V115-T118 WeakPolarHBondContact O-CB 3.29Å; V115-T118 PolarHBondContact O-N 2.86Å; V115-V120 HydrophobicContact CB-CG2 3.99Å; V115-V120 HydrophobicContact CG2-CB 4.44Å; V115-V120 HydrophobicContact CG2-CG2 4.02Å
116K87.5Confident90.2Very high194 Ų19447.5 Ų47.584%0.84325%0.25SC*.THydrogen-bonded Turntrans47.851.4-178.6-57.9178.8-178.2179.90111.9T118K116-T118 PolarHBondContact O-N 2.83Å
117D86.1Confident90.3Very high156 Ų15647.7 Ų47.783%0.83425%0.251SS*.THydrogen-bonded Turntrans60.410-178.6-52.9-48.7000116.2V115V115-D117 VanDerWaalsContact C-N 3.28Å; V115-D117 PolarHBondContact O-N 3.15Å
118T89.1Confident90.5Very high88 Ų8847.6 Ų47.654%0.5425%0.25SS..EExtended strand (participates in β ladder)trans-108.2137.4174.1-54.50000110.4T114 V115 K116 V120T114-T118 CarbonylContact C-O 3.6Å; T114-T118 WeakPolarHBondContact CA-O 3.26Å; V115-T118 PolarHBondContact N-O 3.48Å; V115-T118 WeakPolarHBondContact O-CB 3.29Å; V115-T118 PolarHBondContact O-N 2.86Å; K116-T118 PolarHBondContact O-N 2.83Å; T118-V120 PolarHBondContact O-N 3.22Å
119D89.9Confident90.7Very high67 Ų6748.9 Ų48.936%0.35826%0.256SS..EExtended strand (participates in β ladder)trans-80.1118.7174-75.4-11.4000110R92 L112 T114R92-D119 WeakPolarHBondContact CD-OD1 3.45Å; R92-D119 IonicContact NH1-OD1 3.16Å; L112-D119 HydrophobicContact CB-CB 4.15Å; L112-D119 HydrophobicContact CD1-CB 4.18Å; T114-D119 PolarHBondContact OG1-OD1 3.37Å
120V91.2Very high90.9Very high47 Ų4750.4 Ų50.429%0.28527%0.269SS..EExtended strand (participates in β ladder)trans-106.7125177.4179.80000108.9L112 I113 V115 T118 A122 N140L112-V120 CarbonylContact C-O 3.6Å; L112-V120 WeakPolarHBondContact CA-O 3.22Å; I113-V120 PolarHBondContact N-O 3.24Å; I113-V120 PolarHBondContact O-N 3.2Å; V115-V120 HydrophobicContact CB-CG2 3.99Å; V115-V120 HydrophobicContact CG2-CB 4.44Å; V115-V120 HydrophobicContact CG2-CG2 4.02Å; T118-V120 PolarHBondContact O-N 3.22Å; V120-A122 PolarHBondContact O-N 2.87Å; V120-N140 HydrophobicContact CG1-CB 4.46Å
121P92.7Very high91.1Very high78 Ų7854.2 Ų54.251%0.50629%0.29SS..EExtended strand (participates in β ladder)trans-70.3128.3175.128.6-33.3000110.9L112 N140L112-P121 HydrophobicContact CD2-CB 4.12Å; P121-N140 VanDerWaalsContact O-CB 3.31Å; P121-N140 WeakPolarHBondContact O-CB 3.35Å; P121-N140 PolarHBondContact O-ND2 3.02Å
122A90.8Very high91.2Very high2 Ų254.7 Ų54.72%0.01730%0.297CS..EExtended strand (participates in β ladder)trans-128.4158.6176.800000110.7F111 I113 V120 D139 N140 V141F111-A122 HydrophobicContact CD2-CB 4.16Å; F111-A122 HydrophobicContact CE1-CB 4.27Å; F111-A122 HydrophobicContact CE2-CB 3.72Å; F111-A122 HydrophobicContact CZ-CB 3.74Å; F111-A122 PolarHBondContact N-O 2.85Å; F111-A122 PolarHBondContact O-N 2.86Å; F111-A122 VanDerWaalsContact O-O 3.09Å; I113-A122 HydrophobicContact CD1-CB 3.61Å; I113-A122 HydrophobicContact CG1-CB 3.96Å; V120-A122 PolarHBondContact O-N 2.87Å; A122-D139 WeakPolarHBondContact CA-O 3Å; A122-N140 HydrophobicContact CB-CB 4.45Å; A122-V141 HydrophobicContact CB-CG2 3.99Å
123K90.5Very high91.3Very high82 Ų8257.8 Ų57.836%0.35731%0.309SS..EExtended strand (participates in β ladder)trans-137.5142.6179.8-52.3177.8-176.3163.50110.5R109 N110 F138 D139R109-K123 WeakPolarHBondContact O-CA 3.41Å; N110-K123 WeakPolarHBondContact OD1-CG 3.29Å; K123-F138 WeakPolarHBondContact O-CA 3.49Å; K123-D139 HydrophobicContact CB-CB 4.11Å; K123-D139 PolarHBondContact N-O 3.16Å; K123-D139 VanDerWaalsContact N-O 3.12Å; K123-D139 PolarHBondContact O-N 2.68Å
124M90.3Very high91.5Very high7 Ų759.2 Ų59.23%0.03432%0.316CS..EExtended strand (participates in β ladder)trans-128.5134171.1-75.5169.8173.400108.6H86 A88 K108 R109 F111 Y137 F138 V141H86-M124 HydrophobicContact CB-CE 4.43Å; H86-M124 HydrophobicContact CB-SD 3.6Å; H86-M124 VanDerWaalsContact CB-SD 3.6Å; A88-M124 HydrophobicContact CB-CE 3.51Å; K108-M124 CarbonylContact C-O 3.56Å; K108-M124 WeakPolarHBondContact CA-O 3.37Å; R109-M124 PolarHBondContact N-O 2.96Å; R109-M124 PolarHBondContact O-N 3.28Å; F111-M124 HydrophobicContact CE1-CB 4.04Å; F111-M124 HydrophobicContact CE1-CE 4.49Å; F111-M124 HydrophobicContact CE1-CG 3.66Å; F111-M124 HydrophobicContact CE1-SD 3.78Å; F111-M124 HydrophobicContact CZ-CE 3.79Å; F111-M124 HydrophobicContact CZ-CG 3.83Å; F111-M124 HydrophobicContact CZ-SD 3.67Å; M124-Y137 CarbonylContact C-O 3.56Å; M124-Y137 VanDerWaalsContact CA-O 3.28Å; M124-Y137 WeakPolarHBondContact CA-O 3.31Å; M124-F138 HydrophobicContact CE-CD1 3.71Å; M124-F138 HydrophobicContact CE-CE1 3.72Å; M124-F138 HydrophobicContact CG-CD1 3.59Å; M124-F138 HydrophobicContact CG-CE1 3.88Å; M124-F138 HydrophobicContact SD-CD1 4.27Å; M124-F138 HydrophobicContact SD-CE1 4.12Å; M124-V141 HydrophobicContact CE-CG1 4.49Å; M124-V141 HydrophobicContact CE-CG2 4.21Å
125T92.4Very high91.8Very high0 Ų059.6 Ų59.60%032%0.318CS..EExtended strand (participates in β ladder)trans-129.4121.9175.9-50.40000110.3Q31 F34 A106 V107 K108 V127 L136 Y137Q31-T125 PolarHBondContact OE1-OG1 3.44Å; F34-T125 HydrophobicContact CD2-CG2 4.13Å; F34-T125 HydrophobicContact CE2-CG2 3.56Å; F34-T125 HydrophobicContact CZ-CG2 4.4Å; A106-T125 HydrophobicContact CB-CG2 4.46Å; V107-T125 CarbonylContact O-C 3.55Å; V107-T125 WeakPolarHBondContact O-CA 2.84Å; K108-T125 HydrophobicContact CB-CG2 4.12Å; T125-V127 HydrophobicContact CG2-CG2 4.14Å; T125-L136 WeakPolarHBondContact O-CA 3.42Å; T125-Y137 PolarHBondContact N-O 2.84Å; T125-Y137 PolarHBondContact O-N 3.39Å
126S93.7Very high92.1Very high2 Ų259.5 Ų59.51%0.01432%0.315CS..EExtended strand (participates in β ladder)trans-95135.9169-44.30000108.8H86 A106 V107 T135H86-S126 PolarHBondContact CD2-OG 2.82Å; H86-S126 PolarHBondContact NE2-OG 3.17Å; A106-S126 CarbonylContact C-O 3.56Å; A106-S126 WeakPolarHBondContact CA-O 3.42Å; V107-S126 PolarHBondContact N-O 2.83Å; V107-S126 PolarHBondContact O-N 2.84Å; S126-T135 CarbonylContact C-O 3.57Å
127V94.7Very high92.3Very high6 Ų652.7 Ų52.74%0.03628%0.284CS..EExtended strand (participates in β ladder)trans-129.3124.3174.9-176.90000108.9F34 L104 L105 A106 T125 Q129 I134 T135 Y137F34-V127 HydrophobicContact CE2-CG2 4.19Å; F34-V127 HydrophobicContact CZ-CG2 3.64Å; L104-V127 HydrophobicContact CB-CG1 4Å; L104-V127 HydrophobicContact CD1-CG1 4.18Å; L104-V127 HydrophobicContact CD2-CG1 4.38Å; L104-V127 HydrophobicContact CG-CG1 4.44Å; L105-V127 CarbonylContact O-C 3.6Å; L105-V127 WeakPolarHBondContact O-CA 3.15Å; A106-V127 HydrophobicContact CB-CG2 4.13Å; T125-V127 HydrophobicContact CG2-CG2 4.14Å; V127-Q129 HydrophobicContact CG1-CG 4.14Å; V127-I134 CarbonylContact O-C 3.55Å; V127-I134 VanDerWaalsContact O-CA 3.27Å; V127-I134 WeakPolarHBondContact O-CA 3.02Å; V127-T135 PolarHBondContact N-O 3.12Å; V127-T135 PolarHBondContact O-N 3.16Å; V127-Y137 HydrophobicContact CB-CE2 4.49Å; V127-Y137 HydrophobicContact CG2-CD2 4.17Å; V127-Y137 HydrophobicContact CG2-CE2 3.78Å
128I95.6Very high92.4Very high0 Ų049.6 Ų49.60%026%0.264CS..EExtended strand (participates in β ladder)trans-109.3128.9173.6-57.2167.9000107.5F51 F53 I71 L73 I84 L104 L105 I134F51-I128 HydrophobicContact CE2-CG2 4.29Å; F51-I128 HydrophobicContact CZ-CG2 4.39Å; F51-I128 WeakPolarHBondContact CZ-O 3.27Å; F53-I128 HydrophobicContact CD1-CG2 4.2Å; F53-I128 HydrophobicContact CD2-CG2 3.87Å; F53-I128 HydrophobicContact CE1-CG2 4.07Å; F53-I128 HydrophobicContact CE2-CG2 3.74Å; F53-I128 HydrophobicContact CG-CG2 4.09Å; F53-I128 HydrophobicContact CZ-CG2 3.84Å; I71-I128 HydrophobicContact CD1-CD1 4.27Å; I71-I128 HydrophobicContact CG2-CD1 4.35Å; L73-I128 HydrophobicContact CD2-CD1 4.47Å; I84-I128 HydrophobicContact CD1-CD1 3.77Å; I84-I128 HydrophobicContact CD1-CG1 4.05Å; L104-I128 CarbonylContact C-O 3.52Å; L104-I128 VanDerWaalsContact CA-O 3.26Å; L104-I128 WeakPolarHBondContact CA-O 3.43Å; L104-I128 WeakPolarHBondContact CB-O 3.33Å; L105-I128 HydrophobicContact CB-CB 4.35Å; L105-I128 HydrophobicContact CD2-CD1 3.98Å; L105-I128 PolarHBondContact N-O 3.13Å; L105-I128 PolarHBondContact O-N 2.91Å; I128-I134 HydrophobicContact CG1-CG1 4.3Å
129Q95.3Very high92.4Very high58 Ų5847.8 Ų47.827%0.27125%0.251SS..  trans-112.4159.9-179.1-59.3-174.9-79.100111.3V127 N131 G132 K133V127-Q129 HydrophobicContact CG1-CG 4.14Å; Q129-N131 WeakPolarHBondContact CB-OD1 3.35Å; Q129-N131 PolarHBondContact O-N 2.92Å; Q129-N131 VanDerWaalsContact O-N 3.11Å; Q129-G132 PolarHBondContact O-N 3.47Å; Q129-K133 HydrophobicContact CB-CB 4.47Å; Q129-K133 PolarHBondContact N-O 2.7Å
130P95.5Very high92.1Very high56 Ų5650.2 Ų50.236%0.36426%0.264SS..THydrogen-bonded Turntrans-54.6-30.9-179.5-28.832.1000115.2F51 F53 E103 G132F51-P130 HydrophobicContact CB-CB 4.33Å; F51-P130 HydrophobicContact CB-CG 3.98Å; F51-P130 HydrophobicContact CD1-CG 4.4Å; F51-P130 HydrophobicContact CD2-CB 4.03Å; F51-P130 HydrophobicContact CD2-CG 3.85Å; F51-P130 HydrophobicContact CE2-CG 4.44Å; F51-P130 HydrophobicContact CG-CB 4.33Å; F51-P130 HydrophobicContact CG-CG 3.8Å; F53-P130 WeakPolarHBondContact CB-O 3.37Å; E103-P130 WeakPolarHBondContact O-CD 3.48Å; P130-G132 PolarHBondContact O-N 2.76Å
131N93.5Very high91.5Very high124 Ų12449.9 Ų49.966%0.66326%0.262SS*.THydrogen-bonded Turntrans-78.27.3176.967-3000113.9Q129 K133Q129-N131 WeakPolarHBondContact CB-OD1 3.35Å; Q129-N131 PolarHBondContact O-N 2.92Å; Q129-N131 VanDerWaalsContact O-N 3.11Å; N131-K133 PolarHBondContact O-N 3.26Å; N131-K133 WeakPolarHBondContact OD1-CB 3.42Å; N131-K133 PolarHBondContact OD1-N 3.03Å
132G92.5Very high90.5Very high19 Ų1952.2 Ų52.220%0.19628%0.28CS..SBendtrans78.51-177.600000114.3Q129 P130 I134Q129-G132 PolarHBondContact O-N 3.47Å; P130-G132 PolarHBondContact O-N 2.76Å; G132-I134 PolarHBondContact O-N 3.49Å
133K93.8Very high89.4Confident114 Ų11455.6 Ų55.650%0.49630%0.303SS..  trans-66.2129.4174.9-177.9175.7168.7-159.90109.8Q129 N131 T135Q129-K133 HydrophobicContact CB-CB 4.47Å; Q129-K133 PolarHBondContact N-O 2.7Å; N131-K133 PolarHBondContact O-N 3.26Å; N131-K133 WeakPolarHBondContact OD1-CB 3.42Å; N131-K133 PolarHBondContact OD1-N 3.03Å; K133-T135 WeakPolarHBondContact CE-OG1 3.31Å
134I94.3Very high88.1Confident51 Ų5157.5 Ų57.526%0.26232%0.321SS..EExtended strand (participates in β ladder)trans-110.2126.2172.8-62.7160.3000107.9F55 I84 V127 I128 G132 L136F55-I134 HydrophobicContact CD2-CD1 3.72Å; F55-I134 HydrophobicContact CE2-CD1 3.41Å; F55-I134 VanDerWaalsContact CE2-CD1 3.41Å; F55-I134 HydrophobicContact CZ-CD1 4.42Å; I84-I134 HydrophobicContact CD1-CD1 3.55Å; I84-I134 HydrophobicContact CD1-CG1 4.04Å; I84-I134 HydrophobicContact CD1-CG2 4.26Å; I84-I134 HydrophobicContact CG1-CD1 4.09Å; I84-I134 HydrophobicContact CG2-CG2 4.33Å; V127-I134 CarbonylContact O-C 3.55Å; V127-I134 VanDerWaalsContact O-CA 3.27Å; V127-I134 WeakPolarHBondContact O-CA 3.02Å; I128-I134 HydrophobicContact CG1-CG1 4.3Å; G132-I134 PolarHBondContact O-N 3.49Å; I134-L136 HydrophobicContact CG2-CD2 3.76Å; I134-L136 HydrophobicContact CG2-CG 4.43Å
135T93.7Very high86.6Confident27 Ų2759 Ų5917%0.16633%0.329CS..EExtended strand (participates in β ladder)trans-120.7133.1175.8-47.70000109.7S126 V127 K133 Y137S126-T135 CarbonylContact C-O 3.57Å; V127-T135 PolarHBondContact N-O 3.12Å; V127-T135 PolarHBondContact O-N 3.16Å; K133-T135 WeakPolarHBondContact CE-OG1 3.31Å; T135-Y137 HydrophobicContact CG2-CD2 4.15Å; T135-Y137 HydrophobicContact CG2-CE1 4.18Å; T135-Y137 HydrophobicContact CG2-CE2 3.45Å; T135-Y137 VanDerWaalsContact CG2-CE2 3.45Å; T135-Y137 VanDerWaalsContact CG2-CZ 3.47Å
136L91.6Very high85Confident71 Ų7164.8 Ų64.837%0.37237%0.37SS..EExtended strand (participates in β ladder)trans-116.7123.2-178.7-55.9-170.9000108.8I84 H86 T125 I134 F138I84-L136 HydrophobicContact CG2-CD2 4.22Å; H86-L136 WeakPolarHBondContact CE1-CD2 3.27Å; T125-L136 WeakPolarHBondContact O-CA 3.42Å; I134-L136 HydrophobicContact CG2-CD2 3.76Å; I134-L136 HydrophobicContact CG2-CG 4.43Å; L136-F138 HydrophobicContact CB-CE2 3.74Å; L136-F138 HydrophobicContact CB-CZ 4.03Å; L136-F138 HydrophobicContact CD1-CZ 4.46Å
137Y91.4Very high84.6Confident52 Ų5268 Ų6820%0.20439%0.387CS..EExtended strand (participates in β ladder)trans-112.5140.6178.4-59.2-92.3000110.3Q31 P32 M124 T125 V127 T135Q31-Y137 HydrophobicContact CB-CD1 4.43Å; Q31-Y137 HydrophobicContact CG-CD1 4.15Å; Q31-Y137 HydrophobicContact CG-CG 4.22Å; P32-Y137 VanDerWaalsContact CD-CE1 3.49Å; P32-Y137 HydrophobicContact CG-CE1 4.46Å; P32-Y137 HydrophobicContact CG-CE2 3.86Å; M124-Y137 CarbonylContact C-O 3.56Å; M124-Y137 VanDerWaalsContact CA-O 3.28Å; M124-Y137 WeakPolarHBondContact CA-O 3.31Å; T125-Y137 PolarHBondContact N-O 2.84Å; T125-Y137 PolarHBondContact O-N 3.39Å; V127-Y137 HydrophobicContact CB-CE2 4.49Å; V127-Y137 HydrophobicContact CG2-CD2 4.17Å; V127-Y137 HydrophobicContact CG2-CE2 3.78Å; T135-Y137 HydrophobicContact CG2-CD2 4.15Å; T135-Y137 HydrophobicContact CG2-CE1 4.18Å; T135-Y137 HydrophobicContact CG2-CE2 3.45Å; T135-Y137 VanDerWaalsContact CG2-CE2 3.45Å; T135-Y137 VanDerWaalsContact CG2-CZ 3.47Å
138F88.7Confident84Confident90 Ų9071.2 Ų71.240%0.39541%0.406SS..EExtended strand (participates in β ladder)trans-132.5122.9-178.7-57.5-89.8000109.5H86 K123 M124 L136 V141H86-F138 AromaticContact CE1-CZ 3.92Å; H86-F138 AromaticContact ND1-CE1 3.39Å; H86-F138 WeakPolarHBondContact ND1-CE1 3.42Å; H86-F138 AromaticContact ND1-CZ 3.4Å; H86-F138 WeakPolarHBondContact ND1-CZ 3.21Å; K123-F138 WeakPolarHBondContact O-CA 3.49Å; M124-F138 HydrophobicContact CE-CD1 3.71Å; M124-F138 HydrophobicContact CE-CE1 3.72Å; M124-F138 HydrophobicContact CG-CD1 3.59Å; M124-F138 HydrophobicContact CG-CE1 3.88Å; M124-F138 HydrophobicContact SD-CD1 4.27Å; M124-F138 HydrophobicContact SD-CE1 4.12Å; L136-F138 HydrophobicContact CB-CE2 3.74Å; L136-F138 HydrophobicContact CB-CZ 4.03Å; L136-F138 HydrophobicContact CD1-CZ 4.46Å; F138-V141 HydrophobicContact CB-CB 4.35Å; F138-V141 HydrophobicContact CB-CG2 4.46Å
139D88.7Confident83.4Confident50 Ų5075.2 Ų75.227%0.26743%0.428SS..EExtended strand (participates in β ladder)trans-112.3136.2171.4-68-16000110.1Q31 A122 K123 V141Q31-D139 WeakPolarHBondContact CG-OD1 3.45Å; Q31-D139 PolarHBondContact NE2-OD1 2.71Å; Q31-D139 PolarHBondContact NE2-OD2 2.64Å; Q31-D139 VanDerWaalsContact NE2-OD2 3.15Å; A122-D139 WeakPolarHBondContact CA-O 3Å; K123-D139 HydrophobicContact CB-CB 4.11Å; K123-D139 PolarHBondContact N-O 3.16Å; K123-D139 VanDerWaalsContact N-O 3.12Å; K123-D139 PolarHBondContact O-N 2.68Å; D139-V141 PolarHBondContact O-N 3.09Å; D139-V141 VanDerWaalsContact O-N 3.16Å
140N84.1Confident82.7Confident118 Ų11876.2 Ų76.263%0.63144%0.438SS*.SBendtrans55.326.8178.2-59.5-22000114.3V120 P121 A122V120-N140 HydrophobicContact CG1-CB 4.46Å; P121-N140 VanDerWaalsContact O-CB 3.31Å; P121-N140 WeakPolarHBondContact O-CB 3.35Å; P121-N140 PolarHBondContact O-ND2 3.02Å; A122-N140 HydrophobicContact CB-CB 4.45Å
141V77.5Confident81.9Confident41 Ų4177.4 Ų77.425%0.24844%0.442CS..  trans-107.4126170.8-173.10000107.7F111 I113 A122 M124 F138 D139 C143F111-V141 HydrophobicContact CZ-CG2 4.22Å; I113-V141 HydrophobicContact CD1-CG2 4.22Å; A122-V141 HydrophobicContact CB-CG2 3.99Å; M124-V141 HydrophobicContact CE-CG1 4.49Å; M124-V141 HydrophobicContact CE-CG2 4.21Å; F138-V141 HydrophobicContact CB-CB 4.35Å; F138-V141 HydrophobicContact CB-CG2 4.46Å; D139-V141 PolarHBondContact O-N 3.09Å; D139-V141 VanDerWaalsContact O-N 3.16Å; V141-C143 PolarHBondContact O-N 3Å; V141-C143 VanDerWaalsContact O-N 3.11Å
142S72.6Confident81.1Confident126 Ų12674.3 Ų74.388%0.88143%0.428SS*.  trans-64.3113169.7-56.30000108.6
143C66Low80.3Confident74 Ų7478.3 Ų78.350%0.544%0.444SS..  trans-103.8125176.9-172.50000108.9V141V141-C143 PolarHBondContact O-N 3Å; V141-C143 VanDerWaalsContact O-N 3.11Å
144T64.9Low79.2Confident121 Ų12175.5 Ų75.574%0.74244%0.44SS*.  trans-93.7121.9160.7-540000106.4S146T144-S146 PolarHBondContact O-N 3.39Å
145I57.1Low78Confident39 Ų3977.6 Ų77.620%0.246%0.455CS..  trans-73.8106.8168.7-58.1173.5000105.4R14 I25 L27R14-I145 HydrophobicContact CB-CG2 3.82Å; R14-I145 HydrophobicContact CG-CG2 4.28Å; I25-I145 HydrophobicContact CD1-CG2 4.36Å; I25-I145 HydrophobicContact CG2-CD1 4.35Å; I25-I145 HydrophobicContact CG2-CG1 4.16Å; L27-I145 HydrophobicContact CD1-CD1 4.06Å; L27-I145 HydrophobicContact CD2-CD1 4.01Å; L27-I145 HydrophobicContact CD2-CG1 4.39Å; L27-I145 HydrophobicContact CG-CD1 3.96Å
146S59.7Low76.6Confident122 Ų12282.2 Ų82.285%0.85348%0.481SS*.  trans-127.70177.667.80000111R14 T144R14-S146 PolarHBondContact NH1-OXT 3.01Å; R14-S146 VanDerWaalsContact NH2-C 3.34Å; R14-S146 PolarHBondContact NH2-OXT 3.48Å; T144-S146 PolarHBondContact O-N 3.39Å

Retrieved 146 of 146 residues in 113.1 ms (Link to these results)

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