X5J508_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J508, Species MOUSE (Mus musculus, Mouse), Gene Ighv4-2, Length 98 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
1L97.3Very high96.2Very high64 Ų6452.6 Ų52.634%0.33538%0.375SS..  0149.10-56.5178.9000109.9W17 Y61 L62 M64 Y75 T92 V94L1-W17 HydrophobicContact CB-CH2 3.74Å; L1-W17 HydrophobicContact CB-CZ2 4.21Å; L1-W17 HydrophobicContact CB-CZ3 4.27Å; L1-W17 HydrophobicContact CD1-CH2 4.41Å; L1-W17 HydrophobicContact CD1-CZ3 4.09Å; L1-Y61 CarbonylContact O-C 3.59Å; L1-Y61 VanDerWaalsContact O-CA 3.3Å; L1-Y61 WeakPolarHBondContact O-CA 3.48Å; L1-L62 HydrophobicContact CB-CB 4.23Å; L1-L62 HydrophobicContact CD1-CD2 4.32Å; L1-L62 PolarHBondContact N-O 3.25Å; L1-L62 PolarHBondContact O-N 2.97Å; L1-M64 HydrophobicContact CD1-SD 4.13Å; L1-M64 HydrophobicContact CG-SD 3.95Å; L1-Y75 VanDerWaalsContact CD1-CB 3.46Å; L1-Y75 HydrophobicContact CD1-CD1 4.06Å; L1-Y75 HydrophobicContact CD1-CD2 4.36Å; L1-Y75 HydrophobicContact CD1-CG 3.72Å; L1-T92 HydrophobicContact CD1-CG2 3.72Å; L1-T92 HydrophobicContact CD2-CG2 3.87Å; L1-T92 HydrophobicContact CG-CG2 4.33Å; L1-V94 HydrophobicContact CD1-CG2 4.06Å; L1-V94 HydrophobicContact CD2-CG2 3.93Å; L1-V94 HydrophobicContact CG-CG2 4.48Å
2S98.1Very high96.2Very high83 Ų8363.8 Ų63.858%0.5840%0.402SS*.EExtended strand (participates in β ladder)trans-124.9150.3170.454.20000109.7L60S2-L60 CarbonylContact C-O 3.44Å; S2-L60 VanDerWaalsContact CA-O 3.3Å; S2-L60 WeakPolarHBondContact CA-O 3.37Å
3C98.1Very high96.3Very high20 Ų2063.1 Ų63.114%0.13539%0.388CS..EExtended strand (participates in β ladder)trans-137.8108.1174.5165.90000108.7W17 T59 L60 C77C3-W17 HydrophobicContact CB-CH2 3.9Å; C3-W17 HydrophobicContact CB-CZ2 4.02Å; C3-T59 CarbonylContact O-C 3.56Å; C3-T59 WeakPolarHBondContact O-CA 3.37Å; C3-L60 HydrophobicContact CB-CB 4.39Å; C3-L60 PolarHBondContact N-O 3.31Å; C3-L60 PolarHBondContact O-N 3.35Å; C3-C77 HydrophobicContact CB-CB 3.43Å; C3-C77 VanDerWaalsContact CB-CB 3.43Å; C3-C77 WeakPolarHBondContact CB-SG 3.36Å; C3-C77 WeakPolarHBondContact SG-CB 3.41Å; C3-C77 CovalentContact SG-SG 2.02Å; C3-C77 PolarHBondContact SG-SG 3.12Å
4A97.9Very high96.4Very high80 Ų8064.4 Ų64.466%0.66138%0.382SS*.EExtended strand (participates in β ladder)trans-82.1124.8174.200000109.3
5A96.3Very high96.5Very high15 Ų1560.4 Ų60.412%0.12436%0.358CS..  trans-91143.4178.100000111.2F8 F10 N58A5-F8 HydrophobicContact CB-CE1 4.05Å; A5-F8 HydrophobicContact CB-CE2 4.28Å; A5-F8 HydrophobicContact CB-CZ 3.66Å; A5-F10 HydrophobicContact CB-CB 4.16Å; A5-F10 HydrophobicContact CB-CD2 3.46Å; A5-F10 VanDerWaalsContact CB-CD2 3.46Å; A5-F10 HydrophobicContact CB-CE2 4.19Å; A5-F10 HydrophobicContact CB-CG 4.15Å; A5-N58 PolarHBondContact N-O 3.4Å
6S95.1Very high96.6Very high82 Ų8256.6 Ų56.657%0.57334%0.336SS*.  trans-143.9158.4174.262.10000109.7F8 Y87S6-F8 VanDerWaalsContact C-N 3.34Å; S6-F8 WeakPolarHBondContact O-CD1 3.33Å; S6-F8 PolarHBondContact O-N 3.26Å; S6-Y87 PolarHBondContact O-OH 3.46Å
7G93.7Very high96.7Very high84 Ų8453.5 Ų53.587%0.86632%0.317SS*.SBendtrans831.1178.200000115.8
8F93.8Very high96.8Very high34 Ų3450.8 Ų50.815%0.14930%0.301CS..SBendtrans-154.7163.8172.762.3-86.5000111.5A5 S6 F10 Y13 M15 R79 Y87A5-F8 HydrophobicContact CB-CE1 4.05Å; A5-F8 HydrophobicContact CB-CE2 4.28Å; A5-F8 HydrophobicContact CB-CZ 3.66Å; S6-F8 VanDerWaalsContact C-N 3.34Å; S6-F8 WeakPolarHBondContact O-CD1 3.33Å; S6-F8 PolarHBondContact O-N 3.26Å; F8-F10 HydrophobicContact CE2-CB 4.31Å; F8-F10 HydrophobicContact CE2-CD2 4.34Å; F8-F10 PolarHBondContact O-N 2.94Å; F8-Y13 HydrophobicContact CB-CE2 4.33Å; F8-Y13 AromaticContact CD2-CD2 3.6Å; F8-Y13 HydrophobicContact CD2-CD2 3.6Å; F8-Y13 AromaticContact CD2-CE2 3.95Å; F8-Y13 HydrophobicContact CD2-CE2 3.95Å; F8-Y13 HydrophobicContact CE2-CD2 4.13Å; F8-M15 HydrophobicContact CE2-SD 4.04Å; F8-M15 HydrophobicContact CZ-CE 4.18Å; F8-M15 HydrophobicContact CZ-SD 4.12Å; F8-R79 HydrophobicContact CE2-CB 4.43Å; F8-R79 HydrophobicContact CE2-CG 4.13Å; F8-R79 HydrophobicContact CZ-CB 4.18Å; F8-R79 HydrophobicContact CZ-CG 4.37Å; F8-Y87 HydrophobicContact CD1-CD1 4.44Å; F8-Y87 HydrophobicContact CD1-CG 4.49Å; F8-Y87 AromaticContact CE1-CD1 3.72Å; F8-Y87 HydrophobicContact CE1-CD1 3.72Å; F8-Y87 AromaticContact CE1-CE1 3.92Å; F8-Y87 HydrophobicContact CE1-CE1 3.92Å; F8-Y87 HydrophobicContact CE1-CG 4.12Å
9D95.5Very high96.8Very high72 Ų7249.2 Ų49.239%0.38529%0.289SS..  trans-74.990173.8-177.7-3.2000110.4S11 R12 Y13D9-S11 PolarHBondContact O-N 3.2Å; D9-S11 VanDerWaalsContact O-N 3.12Å; D9-S11 WeakPolarHBondContact OD1-CB 3.31Å; D9-S11 PolarHBondContact OD1-N 3.21Å; D9-S11 PolarHBondContact OD1-OG 2.99Å; D9-R12 HydrophobicContact CB-CG 4.41Å; D9-R12 PolarHBondContact O-N 2.78Å; D9-R12 WeakPolarHBondContact OD2-CD 3.44Å; D9-R12 VanDerWaalsContact OD2-CG 3.28Å; D9-R12 WeakPolarHBondContact OD2-CG 3.22Å; D9-R12 IonicContact OD2-NE 2.86Å; D9-R12 PolarHBondContact OD2-NE 2.78Å; D9-Y13 WeakPolarHBondContact O-CD2 3.35Å; D9-Y13 WeakPolarHBondContact O-CE2 3.49Å
10F96.8Very high96.9Very high0 Ų050 Ų500%029%0.29CS..G310 helixtrans-50.4-37-178.7176.3-98.5000113A5 F8 R12 Y13 M15 R53 N55 N58 L60A5-F10 HydrophobicContact CB-CB 4.16Å; A5-F10 HydrophobicContact CB-CD2 3.46Å; A5-F10 VanDerWaalsContact CB-CD2 3.46Å; A5-F10 HydrophobicContact CB-CE2 4.19Å; A5-F10 HydrophobicContact CB-CG 4.15Å; F8-F10 HydrophobicContact CE2-CB 4.31Å; F8-F10 HydrophobicContact CE2-CD2 4.34Å; F8-F10 PolarHBondContact O-N 2.94Å; F10-R12 PolarHBondContact O-N 3.09Å; F10-R12 VanDerWaalsContact O-N 3.12Å; F10-Y13 PolarHBondContact O-N 2.72Å; F10-M15 HydrophobicContact CD2-CE 4.26Å; F10-M15 HydrophobicContact CD2-CG 4.02Å; F10-M15 HydrophobicContact CD2-SD 3.98Å; F10-M15 HydrophobicContact CE2-CE 3.99Å; F10-M15 HydrophobicContact CE2-CG 3.52Å; F10-M15 HydrophobicContact CE2-SD 3.97Å; F10-M15 HydrophobicContact CZ-CG 4.11Å; F10-R53 VanDerWaalsContact CD1-NH2 3.3Å; F10-R53 HydrophobicContact CE1-CB 4.17Å; F10-R53 HydrophobicContact CZ-CB 4.07Å; F10-R53 PolarHBondContact O-NH2 3.15Å; F10-N55 WeakPolarHBondContact CE1-OD1 3.34Å; F10-N58 HydrophobicContact CB-CB 3.91Å; F10-N58 HydrophobicContact CD1-CB 4.39Å; F10-N58 HydrophobicContact CG-CB 4.18Å; F10-L60 HydrophobicContact CE2-CB 4.17Å; F10-L60 HydrophobicContact CZ-CB 4.13Å
11S96.3Very high96.9Very high45 Ų4548.8 Ų48.832%0.31529%0.285SS..G310 helixtrans-64.7-17.5-176.477.10000113.6D9 P34D9-S11 PolarHBondContact O-N 3.2Å; D9-S11 VanDerWaalsContact O-N 3.12Å; D9-S11 WeakPolarHBondContact OD1-CB 3.31Å; D9-S11 PolarHBondContact OD1-N 3.21Å; D9-S11 PolarHBondContact OD1-OG 2.99Å; S11-P34 VanDerWaalsContact O-CB 3.29Å; S11-P34 WeakPolarHBondContact O-CB 3.3Å
12R96Very high96.9Very high187 Ų18750.7 Ų50.771%0.70630%0.302SS*.G310 helixtrans-94.5-10.3-177.4-73.9-174.5161.3-164.1-9.2115.2D9 F10D9-R12 HydrophobicContact CB-CG 4.41Å; D9-R12 PolarHBondContact O-N 2.78Å; D9-R12 WeakPolarHBondContact OD2-CD 3.44Å; D9-R12 VanDerWaalsContact OD2-CG 3.28Å; D9-R12 WeakPolarHBondContact OD2-CG 3.22Å; D9-R12 IonicContact OD2-NE 2.86Å; D9-R12 PolarHBondContact OD2-NE 2.78Å; F10-R12 PolarHBondContact O-N 3.09Å; F10-R12 VanDerWaalsContact O-N 3.12Å
13Y96.8Very high96.8Very high54 Ų5451 Ų5121%0.21232%0.317CS..SBendtrans-116.4150.6-172.1-58.2-79.6000112.6F8 D9 F10 R53 R79 Y81F8-Y13 HydrophobicContact CB-CE2 4.33Å; F8-Y13 AromaticContact CD2-CD2 3.6Å; F8-Y13 HydrophobicContact CD2-CD2 3.6Å; F8-Y13 AromaticContact CD2-CE2 3.95Å; F8-Y13 HydrophobicContact CD2-CE2 3.95Å; F8-Y13 HydrophobicContact CE2-CD2 4.13Å; D9-Y13 WeakPolarHBondContact O-CD2 3.35Å; D9-Y13 WeakPolarHBondContact O-CE2 3.49Å; F10-Y13 PolarHBondContact O-N 2.72Å; Y13-R53 PolarHBondContact O-NH1 3.1Å; Y13-R79 HydrophobicContact CD1-CG 4.25Å; Y13-R79 HydrophobicContact CD2-CG 4.45Å; Y13-R79 HydrophobicContact CG-CG 3.87Å; Y13-Y81 AromaticContact CD1-CD2 3.87Å; Y13-Y81 HydrophobicContact CD1-CD2 3.87Å; Y13-Y81 AromaticContact CE1-CD2 3.38Å; Y13-Y81 HydrophobicContact CE1-CD2 3.38Å; Y13-Y81 AromaticContact CE1-CE2 3.8Å; Y13-Y81 HydrophobicContact CE1-CE2 3.8Å; Y13-Y81 HydrophobicContact CE1-CG 4.21Å
14W97.4Very high96.7Very high82 Ų8257 Ų5731%0.31134%0.342SS..EExtended strand (participates in β ladder)trans-69145.2162.1-74.368.8000109E31 I32 N33 T38 N80W14-E31 HydrophobicContact CE3-CB 4.25Å; W14-E31 HydrophobicContact CE3-CG 3.46Å; W14-E31 VanDerWaalsContact CE3-CG 3.46Å; W14-E31 HydrophobicContact CZ3-CG 3.6Å; W14-E31 WeakPolarHBondContact CZ3-OE1 3.49Å; W14-I32 WeakPolarHBondContact CA-O 3.12Å; W14-N33 HydrophobicContact CD2-CB 3.62Å; W14-N33 HydrophobicContact CE3-CB 3.86Å; W14-N33 HydrophobicContact CG-CB 4.34Å; W14-N33 HydrophobicContact CH2-CB 3.67Å; W14-N33 HydrophobicContact CZ2-CB 3.37Å; W14-N33 HydrophobicContact CZ3-CB 3.88Å; W14-T38 HydrophobicContact CH2-CG2 3.94Å; W14-T38 HydrophobicContact CZ3-CG2 4.48Å; W14-N80 HydrophobicContact CB-CB 3.95Å; W14-N80 PolarHBondContact O-N 3.4Å
15M98.1Very high96.6Very high4 Ų456 Ų562%0.0234%0.338CS..EExtended strand (participates in β ladder)trans-130.5132-177.2-63.6-61.2-5600109.7F8 F10 E31 I32 L60 A78 R79F8-M15 HydrophobicContact CE2-SD 4.04Å; F8-M15 HydrophobicContact CZ-CE 4.18Å; F8-M15 HydrophobicContact CZ-SD 4.12Å; F10-M15 HydrophobicContact CD2-CE 4.26Å; F10-M15 HydrophobicContact CD2-CG 4.02Å; F10-M15 HydrophobicContact CD2-SD 3.98Å; F10-M15 HydrophobicContact CE2-CE 3.99Å; F10-M15 HydrophobicContact CE2-CG 3.52Å; F10-M15 HydrophobicContact CE2-SD 3.97Å; F10-M15 HydrophobicContact CZ-CG 4.11Å; M15-E31 CarbonylContact O-C 3.59Å; M15-E31 WeakPolarHBondContact O-CA 3.25Å; M15-E31 WeakPolarHBondContact O-CB 3.46Å; M15-I32 HydrophobicContact CB-CG2 4.36Å; M15-I32 PolarHBondContact N-O 2.8Å; M15-I32 PolarHBondContact O-N 2.86Å; M15-L60 HydrophobicContact CB-CD1 3.78Å; M15-L60 HydrophobicContact CB-CD2 3.89Å; M15-L60 HydrophobicContact CB-CG 4.35Å; M15-A78 CarbonylContact C-O 3.59Å; M15-A78 WeakPolarHBondContact CA-O 3.27Å; M15-A78 WeakPolarHBondContact CE-O 3.35Å; M15-R79 HydrophobicContact CE-CB 4.39Å; M15-R79 HydrophobicContact SD-CB 4.02Å; M15-R79 HydrophobicContact SD-CG 4.16Å
16S98.1Very high96.7Very high0 Ų060.1 Ų60.10%036%0.358CS..EExtended strand (participates in β ladder)trans-107.7152.9-177.9-68.80000112.1W28 G30 C77 A78 N80S16-W28 PolarHBondContact OG-NE1 2.61Å; S16-G30 CarbonylContact C-O 3.6Å; S16-G30 VanDerWaalsContact CA-O 3.3Å; S16-G30 WeakPolarHBondContact CA-O 3.46Å; S16-C77 CarbonylContact O-C 3.53Å; S16-C77 VanDerWaalsContact O-CA 3.3Å; S16-C77 WeakPolarHBondContact O-CA 3.36Å; S16-A78 PolarHBondContact N-O 3.11Å; S16-A78 PolarHBondContact O-N 3.44Å; S16-N80 VanDerWaalsContact OG-CG 3.29Å; S16-N80 PolarHBondContact OG-ND2 3.07Å; S16-N80 PolarHBondContact OG-OD1 2.62Å
17W98.4Very high96.8Very high4 Ų459.3 Ų59.32%0.01535%0.345CS..EExtended strand (participates in β ladder)trans-108.3139.4155.1-77.199.3000110.3L1 C3 I29 G30 L60 Y61 L62 Y76 C77L1-W17 HydrophobicContact CB-CH2 3.74Å; L1-W17 HydrophobicContact CB-CZ2 4.21Å; L1-W17 HydrophobicContact CB-CZ3 4.27Å; L1-W17 HydrophobicContact CD1-CH2 4.41Å; L1-W17 HydrophobicContact CD1-CZ3 4.09Å; C3-W17 HydrophobicContact CB-CH2 3.9Å; C3-W17 HydrophobicContact CB-CZ2 4.02Å; W17-I29 HydrophobicContact CB-CB 4.1Å; W17-I29 HydrophobicContact CB-CD1 4.2Å; W17-I29 WeakPolarHBondContact O-CB 3.3Å; W17-I29 PolarHBondContact O-N 2.97Å; W17-G30 PolarHBondContact N-O 2.93Å; W17-G30 PolarHBondContact O-N 2.76Å; W17-L60 HydrophobicContact CD2-CD2 4.29Å; W17-L60 HydrophobicContact CG-CD2 4.24Å; W17-L60 HydrophobicContact CZ2-CD2 4.25Å; W17-L60 HydrophobicContact CZ2-CG 4.38Å; W17-L60 VanDerWaalsContact NE1-CG 3.35Å; W17-Y61 PolarHBondContact NE1-O 3Å; W17-L62 HydrophobicContact CB-CD1 4.22Å; W17-L62 HydrophobicContact CB-CD2 4.42Å; W17-L62 HydrophobicContact CD2-CB 3.88Å; W17-L62 HydrophobicContact CD2-CD1 4.47Å; W17-L62 HydrophobicContact CD2-CD2 4.07Å; W17-L62 HydrophobicContact CD2-CG 4.38Å; W17-L62 HydrophobicContact CE3-CD2 4.23Å; W17-L62 HydrophobicContact CG-CB 4.15Å; W17-L62 HydrophobicContact CG-CD1 3.9Å; W17-L62 HydrophobicContact CG-CD2 4.15Å; W17-L62 HydrophobicContact CG-CG 4.31Å; W17-L62 HydrophobicContact CZ2-CB 3.95Å; W17-Y76 CarbonylContact C-O 3.56Å; W17-Y76 WeakPolarHBondContact CA-O 3.08Å; W17-Y76 VanDerWaalsContact CE3-O 3.22Å; W17-C77 HydrophobicContact CE3-CB 4.34Å; W17-C77 HydrophobicContact CH2-CB 4.2Å; W17-C77 HydrophobicContact CZ2-CB 4.38Å; W17-C77 HydrophobicContact CZ3-CB 4.18Å
18V98.4Very high96.9Very high4 Ų458.9 Ų58.92%0.02432%0.317CS..EExtended strand (participates in β ladder)trans-134.6144.7178.8-177.70000107.5L26 E27 Y75 Y76 M85 W88V18-L26 HydrophobicContact CG1-CB 3.91Å; V18-L26 HydrophobicContact CG1-CD2 3.88Å; V18-L26 HydrophobicContact CG1-CG 4.41Å; V18-E27 CarbonylContact C-O 3.59Å; V18-E27 WeakPolarHBondContact CA-O 3.49Å; V18-E27 WeakPolarHBondContact CG1-O 3.35Å; V18-Y75 CarbonylContact O-C 3.57Å; V18-Y75 WeakPolarHBondContact O-CA 3.48Å; V18-Y76 PolarHBondContact N-O 3.37Å; V18-Y76 PolarHBondContact O-N 3.1Å; V18-M85 HydrophobicContact CG2-CE 4.32Å; V18-M85 HydrophobicContact CG2-SD 3.93Å; V18-W88 HydrophobicContact CB-CH2 4.11Å; V18-W88 HydrophobicContact CB-CZ3 3.79Å; V18-W88 HydrophobicContact CG1-CH2 4.03Å; V18-W88 HydrophobicContact CG1-CZ3 3.96Å; V18-W88 HydrophobicContact CG2-CH2 3.78Å; V18-W88 HydrophobicContact CG2-CZ3 3.84Å
19R97.9Very high97.1Very high20 Ų2057.2 Ų57.28%0.07531%0.31CS..EExtended strand (participates in β ladder)trans-125.5160.4172.667.2176.7-169.7176.12.3112.6E27 I29 L45 D71 A73 L74 Y75R19-E27 HydrophobicContact CG-CB 4.18Å; R19-E27 IonicContact CZ-OE2 2.72Å; R19-E27 PolarHBondContact N-O 2.87Å; R19-E27 IonicContact NE-OE2 2.71Å; R19-E27 PolarHBondContact NE-OE2 2.87Å; R19-E27 IonicContact NH2-OE1 3.74Å; R19-E27 IonicContact NH2-OE2 3.73Å; R19-E27 PolarHBondContact NH2-OE2 2.82Å; R19-E27 PolarHBondContact O-N 2.86Å; R19-I29 HydrophobicContact CB-CD1 4.05Å; R19-I29 HydrophobicContact CB-CG1 4.41Å; R19-I29 HydrophobicContact CG-CD1 4.13Å; R19-I29 HydrophobicContact CG-CG1 4.09Å; R19-L45 VanDerWaalsContact NH2-CD2 3.34Å; R19-D71 IonicContact CZ-OD1 3.19Å; R19-D71 IonicContact NH1-OD1 3.93Å; R19-D71 PolarHBondContact NH1-OD1 2.86Å; R19-D71 IonicContact NH2-OD1 2.79Å; R19-A73 HydrophobicContact CB-CB 3.98Å; R19-A73 HydrophobicContact CG-CB 4.49Å; R19-L74 CarbonylContact C-O 3.57Å; R19-L74 WeakPolarHBondContact CA-O 3.32Å; R19-Y75 HydrophobicContact CB-CD1 3.94Å; R19-Y75 HydrophobicContact CB-CE1 3.92Å; R19-Y75 HydrophobicContact CB-CG 4.29Å
20Q98.3Very high97.2Very high66 Ų6653.8 Ų53.831%0.30829%0.292SS..EExtended strand (participates in β ladder)trans-136.6105.7174.6-169178.421.200109.7K24 L26 A73 L74 Y76Q20-K24 WeakPolarHBondContact CG-O 3.42Å; Q20-K24 PolarHBondContact NE2-O 2.81Å; Q20-L26 HydrophobicContact CB-CD2 4.1Å; Q20-A73 WeakPolarHBondContact O-CA 3.37Å; Q20-A73 VanDerWaalsContact O-CB 3.31Å; Q20-A73 WeakPolarHBondContact O-CB 3.39Å; Q20-L74 HydrophobicContact CB-CB 4.49Å; Q20-L74 PolarHBondContact N-O 2.84Å; Q20-L74 PolarHBondContact O-N 3.26Å; Q20-Y76 HydrophobicContact CB-CE2 4.01Å; Q20-Y76 PolarHBondContact OE1-OH 3.05Å
21A97.1Very high97.3Very high24 Ų2455.6 Ų55.620%0.19830%0.3CS..  trans-71.4153.5172.500000110.6G23 K24A21-G23 PolarHBondContact O-N 2.73Å; A21-K24 HydrophobicContact CB-CB 4.11Å; A21-K24 HydrophobicContact CB-CG 3.97Å; A21-K24 WeakPolarHBondContact O-CB 3.45Å; A21-K24 PolarHBondContact O-N 2.79Å
22P96.2Very high97.4Very high105 Ų10553.6 Ų53.668%0.68229%0.286SS*.THydrogen-bonded Turntrans-52.9126.8177.3-26.834.9000112.3K24 T72P22-K24 PolarHBondContact O-N 2.71Å; P22-T72 WeakPolarHBondContact CD-O 3.46Å
23G96.1Very high97.4Very high88 Ų8845.3 Ų45.391%0.90726%0.255SS*.THydrogen-bonded Turntrans70.412-17900000115.2A21A21-G23 PolarHBondContact O-N 2.73Å
24K96.2Very high97.5Very high148 Ų14844.3 Ų44.364%0.64326%0.256SS*.  trans-115161.6176.8-58.9-63.5-175.6178.70111.7Q20 A21 P22Q20-K24 WeakPolarHBondContact CG-O 3.42Å; Q20-K24 PolarHBondContact NE2-O 2.81Å; A21-K24 HydrophobicContact CB-CB 4.11Å; A21-K24 HydrophobicContact CB-CG 3.97Å; A21-K24 WeakPolarHBondContact O-CB 3.45Å; A21-K24 PolarHBondContact O-N 2.79Å; P22-K24 PolarHBondContact O-N 2.71Å
25G96.6Very high97.5Very high57 Ų5745.6 Ų45.659%0.58827%0.269SS*.  trans-72177.517000000112.4
26L97Very high97.4Very high102 Ų10248 Ų4853%0.53429%0.285SS..EExtended strand (participates in β ladder)trans-66.8130.6172.6-67.3169.1000110.1V18 Q20 Y76 W88V18-L26 HydrophobicContact CG1-CB 3.91Å; V18-L26 HydrophobicContact CG1-CD2 3.88Å; V18-L26 HydrophobicContact CG1-CG 4.41Å; Q20-L26 HydrophobicContact CB-CD2 4.1Å; L26-Y76 HydrophobicContact CD2-CD2 4.26Å; L26-Y76 HydrophobicContact CD2-CE2 4.1Å; L26-W88 HydrophobicContact CD1-CH2 4.12Å
27E97.4Very high97.4Very high66 Ų6652 Ų5231%0.30831%0.314SS..EExtended strand (participates in β ladder)trans-117118.9175.2-175.8-177.5-160.700108.7V18 R19 L45V18-E27 CarbonylContact C-O 3.59Å; V18-E27 WeakPolarHBondContact CA-O 3.49Å; V18-E27 WeakPolarHBondContact CG1-O 3.35Å; R19-E27 HydrophobicContact CG-CB 4.18Å; R19-E27 IonicContact CZ-OE2 2.72Å; R19-E27 PolarHBondContact N-O 2.87Å; R19-E27 IonicContact NE-OE2 2.71Å; R19-E27 PolarHBondContact NE-OE2 2.87Å; R19-E27 IonicContact NH2-OE1 3.74Å; R19-E27 IonicContact NH2-OE2 3.73Å; R19-E27 PolarHBondContact NH2-OE2 2.82Å; R19-E27 PolarHBondContact O-N 2.86Å; E27-L45 HydrophobicContact CG-CD1 4.3Å
28W97.6Very high97.4Very high74 Ų7454.4 Ų54.428%0.2833%0.329SS..EExtended strand (participates in β ladder)trans-71.7132.2176.1179.977000110.3S16 G30 E31 N40 T42 M85S16-W28 PolarHBondContact OG-NE1 2.61Å; W28-G30 VanDerWaalsContact CE2-C 3.48Å; W28-G30 VanDerWaalsContact CE2-CA 3.49Å; W28-G30 VanDerWaalsContact CZ2-C 3.4Å; W28-G30 VanDerWaalsContact CZ2-CA 3.42Å; W28-G30 PolarHBondContact NE1-O 3.15Å; W28-E31 HydrophobicContact CH2-CG 4.46Å; W28-E31 HydrophobicContact CZ2-CB 3.81Å; W28-E31 HydrophobicContact CZ2-CG 3.66Å; W28-N40 HydrophobicContact CH2-CB 3.74Å; W28-N40 HydrophobicContact CZ2-CB 4.37Å; W28-T42 WeakPolarHBondContact O-CB 3.16Å; W28-T42 PolarHBondContact O-OG1 3.39Å; W28-M85 VanDerWaalsContact CD1-CE 3.42Å; W28-M85 HydrophobicContact CG-CE 4.39Å
29I97.8Very high97.4Very high0 Ų057.3 Ų57.30%034%0.344CS..EExtended strand (participates in β ladder)trans-90.5-47179-60.7-178.6000110.3W17 R19 Y41 T42 L45 F49 L62 Y75W17-I29 HydrophobicContact CB-CB 4.1Å; W17-I29 HydrophobicContact CB-CD1 4.2Å; W17-I29 WeakPolarHBondContact O-CB 3.3Å; W17-I29 PolarHBondContact O-N 2.97Å; R19-I29 HydrophobicContact CB-CD1 4.05Å; R19-I29 HydrophobicContact CB-CG1 4.41Å; R19-I29 HydrophobicContact CG-CD1 4.13Å; R19-I29 HydrophobicContact CG-CG1 4.09Å; I29-Y41 WeakPolarHBondContact O-CA 3.38Å; I29-T42 PolarHBondContact O-N 2.86Å; I29-L45 HydrophobicContact CB-CD1 4.47Å; I29-L45 HydrophobicContact CG1-CD1 4.14Å; I29-F49 HydrophobicContact CD1-CD2 4.46Å; I29-F49 HydrophobicContact CD1-CE2 4.45Å; I29-F49 HydrophobicContact CG2-CB 4.06Å; I29-F49 HydrophobicContact CG2-CD2 3.65Å; I29-F49 HydrophobicContact CG2-CE2 4.45Å; I29-F49 HydrophobicContact CG2-CG 4.06Å; I29-L62 HydrophobicContact CD1-CD2 3.99Å; I29-L62 HydrophobicContact CG2-CD1 4.37Å; I29-Y75 HydrophobicContact CD1-CD1 3.68Å; I29-Y75 HydrophobicContact CD1-CE1 3.53Å
30G97.8Very high97.3Very high0 Ų059.5 Ų59.50%036%0.357CS..EExtended strand (participates in β ladder)trans167.4173.7-172.700000111.8S16 W17 W28 N40S16-G30 CarbonylContact C-O 3.6Å; S16-G30 VanDerWaalsContact CA-O 3.3Å; S16-G30 WeakPolarHBondContact CA-O 3.46Å; W17-G30 PolarHBondContact N-O 2.93Å; W17-G30 PolarHBondContact O-N 2.76Å; W28-G30 VanDerWaalsContact CE2-C 3.48Å; W28-G30 VanDerWaalsContact CE2-CA 3.49Å; W28-G30 VanDerWaalsContact CZ2-C 3.4Å; W28-G30 VanDerWaalsContact CZ2-CA 3.42Å; W28-G30 PolarHBondContact NE1-O 3.15Å; G30-N40 CarbonylContact C-O 3.46Å; G30-N40 WeakPolarHBondContact CA-O 3.46Å
31E97.8Very high97.3Very high38 Ų3858.4 Ų58.418%0.17835%0.35CS..EExtended strand (participates in β ladder)trans-142.9157.9177.872.3-175.1158.700111.4W14 M15 W28 I39 N40 N80W14-E31 HydrophobicContact CE3-CB 4.25Å; W14-E31 HydrophobicContact CE3-CG 3.46Å; W14-E31 VanDerWaalsContact CE3-CG 3.46Å; W14-E31 HydrophobicContact CZ3-CG 3.6Å; W14-E31 WeakPolarHBondContact CZ3-OE1 3.49Å; M15-E31 CarbonylContact O-C 3.59Å; M15-E31 WeakPolarHBondContact O-CA 3.25Å; M15-E31 WeakPolarHBondContact O-CB 3.46Å; W28-E31 HydrophobicContact CH2-CG 4.46Å; W28-E31 HydrophobicContact CZ2-CB 3.81Å; W28-E31 HydrophobicContact CZ2-CG 3.66Å; E31-I39 WeakPolarHBondContact O-CA 3.31Å; E31-I39 VanDerWaalsContact O-CG2 3.25Å; E31-I39 WeakPolarHBondContact O-CG2 3.41Å; E31-N40 HydrophobicContact CG-CB 4.14Å; E31-N40 PolarHBondContact N-O 2.98Å; E31-N40 PolarHBondContact O-N 2.87Å; E31-N40 PolarHBondContact OE1-ND2 3.28Å; E31-N40 VanDerWaalsContact OE1-ND2 3.11Å; E31-N80 PolarHBondContact OE2-ND2 2.76Å
32I98.4Very high97.3Very high2 Ų258.7 Ų58.71%0.0135%0.35CS..EExtended strand (participates in β ladder)trans-128.3137.1176.3-174.9161.1000110.3W14 M15 I39 I51 R53 L60W14-I32 WeakPolarHBondContact CA-O 3.12Å; M15-I32 HydrophobicContact CB-CG2 4.36Å; M15-I32 PolarHBondContact N-O 2.8Å; M15-I32 PolarHBondContact O-N 2.86Å; I32-I39 HydrophobicContact CB-CG1 4.42Å; I32-I39 HydrophobicContact CD1-CD1 3.9Å; I32-I39 HydrophobicContact CD1-CG1 3.96Å; I32-I39 HydrophobicContact CG1-CD1 4.48Å; I32-I39 HydrophobicContact CG1-CG1 3.98Å; I32-I51 HydrophobicContact CB-CG2 3.87Å; I32-I51 HydrophobicContact CG2-CG2 3.65Å; I32-R53 HydrophobicContact CD1-CG 3.92Å; I32-R53 HydrophobicContact CG1-CG 4.38Å; I32-R53 HydrophobicContact CG2-CB 4.47Å; I32-L60 HydrophobicContact CG2-CD1 3.47Å; I32-L60 VanDerWaalsContact CG2-CD1 3.47Å
33N97.3Very high97.3Very high13 Ų1359.3 Ų59.37%0.0735%0.353CS..  trans-78.6166.518078.4-29.1000112.2W14 D35 S36 S37 T38 R53W14-N33 HydrophobicContact CD2-CB 3.62Å; W14-N33 HydrophobicContact CE3-CB 3.86Å; W14-N33 HydrophobicContact CG-CB 4.34Å; W14-N33 HydrophobicContact CH2-CB 3.67Å; W14-N33 HydrophobicContact CZ2-CB 3.37Å; W14-N33 HydrophobicContact CZ3-CB 3.88Å; N33-D35 VanDerWaalsContact C-N 3.34Å; N33-D35 VanDerWaalsContact CG-OD1 3.25Å; N33-D35 PolarHBondContact ND2-OD1 3.42Å; N33-D35 PolarHBondContact O-N 2.02Å; N33-D35 PolarHBondContact OD1-OD1 3.45Å; N33-S36 PolarHBondContact O-N 2.86Å; N33-S36 VanDerWaalsContact OD1-C 3.29Å; N33-S36 VanDerWaalsContact OD1-CA 3.24Å; N33-S36 WeakPolarHBondContact OD1-CA 3.38Å; N33-S36 PolarHBondContact OD1-N 3.25Å; N33-S37 PolarHBondContact ND2-OG 2.94Å; N33-S37 PolarHBondContact OD1-N 2.66Å; N33-T38 PolarHBondContact N-O 2.91Å; N33-T38 VanDerWaalsContact N-O 3.12Å; N33-T38 PolarHBondContact OD1-N 3.04Å; N33-T38 PolarHBondContact OD1-O 3.31Å; N33-T38 VanDerWaalsContact OD1-O 3.1Å; N33-R53 WeakPolarHBondContact O-CD 3Å; N33-R53 PolarHBondContact O-NH1 2.87Å
34P97.6Very high97.1Very high33 Ų3359.1 Ų59.121%0.21434%0.338CS..THydrogen-bonded Turntrans-45.3-46.2-179.7-40.844.1000117S11 R53 N55S11-P34 VanDerWaalsContact O-CB 3.29Å; S11-P34 WeakPolarHBondContact O-CB 3.3Å; P34-R53 VanDerWaalsContact CA-NH1 3.28Å; P34-R53 PolarHBondContact O-NE 3.47Å; P34-N55 PolarHBondContact O-ND2 2.89Å
35D96.8Very high97Very high110 Ų11052.2 Ų52.259%0.58831%0.309SS*.THydrogen-bonded Turntrans-96.94.5-174.465.412.6000113.3N33 S37N33-D35 VanDerWaalsContact C-N 3.34Å; N33-D35 VanDerWaalsContact CG-OD1 3.25Å; N33-D35 PolarHBondContact ND2-OD1 3.42Å; N33-D35 PolarHBondContact O-N 2.02Å; N33-D35 PolarHBondContact OD1-OD1 3.45Å; D35-S37 PolarHBondContact O-N 2.85Å; D35-S37 VanDerWaalsContact OD1-CB 3.25Å; D35-S37 WeakPolarHBondContact OD1-CB 3.16Å; D35-S37 PolarHBondContact OD1-N 2.9Å; D35-S37 PolarHBondContact OD1-OG 3.5Å; D35-S37 PolarHBondContact OD2-OG 2.87Å
36S97.6Very high96.8Very high53 Ų5355.5 Ų55.537%0.37131%0.307SS..SBendtrans62.710-178.3-45.70000115.7N33 T38 R53N33-S36 PolarHBondContact O-N 2.86Å; N33-S36 VanDerWaalsContact OD1-C 3.29Å; N33-S36 VanDerWaalsContact OD1-CA 3.24Å; N33-S36 WeakPolarHBondContact OD1-CA 3.38Å; N33-S36 PolarHBondContact OD1-N 3.25Å; S36-T38 VanDerWaalsContact C-N 3.28Å; S36-T38 PolarHBondContact O-N 2.85Å; S36-R53 WeakPolarHBondContact OG-CD 3.3Å; S36-R53 WeakPolarHBondContact OG-CG 3.35Å
37S97.8Very high96.6Very high85 Ų8556.6 Ų56.659%0.59431%0.313SS*.SBendtrans-72-22.8177.662.70000113.2N33 D35N33-S37 PolarHBondContact ND2-OG 2.94Å; N33-S37 PolarHBondContact OD1-N 2.66Å; D35-S37 PolarHBondContact O-N 2.85Å; D35-S37 VanDerWaalsContact OD1-CB 3.25Å; D35-S37 WeakPolarHBondContact OD1-CB 3.16Å; D35-S37 PolarHBondContact OD1-N 2.9Å; D35-S37 PolarHBondContact OD1-OG 3.5Å; D35-S37 PolarHBondContact OD2-OG 2.87Å
38T97.9Very high96.5Very high55 Ų5554.7 Ų54.734%0.33730%0.304SS..  trans-128.4130.7-178.3-54.80000110.8W14 N33 S36W14-T38 HydrophobicContact CH2-CG2 3.94Å; W14-T38 HydrophobicContact CZ3-CG2 4.48Å; N33-T38 PolarHBondContact N-O 2.91Å; N33-T38 VanDerWaalsContact N-O 3.12Å; N33-T38 PolarHBondContact OD1-N 3.04Å; N33-T38 PolarHBondContact OD1-O 3.31Å; N33-T38 VanDerWaalsContact OD1-O 3.1Å; S36-T38 VanDerWaalsContact C-N 3.28Å; S36-T38 PolarHBondContact O-N 2.85Å
39I97.9Very high96.5Very high64 Ų6451.2 Ų51.233%0.32829%0.291SS..EExtended strand (participates in β ladder)trans-133.4121.6173.2-44.8178.6000108.6E31 I32 Y41 I51E31-I39 WeakPolarHBondContact O-CA 3.31Å; E31-I39 VanDerWaalsContact O-CG2 3.25Å; E31-I39 WeakPolarHBondContact O-CG2 3.41Å; I32-I39 HydrophobicContact CB-CG1 4.42Å; I32-I39 HydrophobicContact CD1-CD1 3.9Å; I32-I39 HydrophobicContact CD1-CG1 3.96Å; I32-I39 HydrophobicContact CG1-CD1 4.48Å; I32-I39 HydrophobicContact CG1-CG1 3.98Å; I39-Y41 HydrophobicContact CB-CE2 3.92Å; I39-Y41 HydrophobicContact CG2-CD2 4.03Å; I39-Y41 HydrophobicContact CG2-CE1 4.42Å; I39-Y41 HydrophobicContact CG2-CE2 3.27Å; I39-I51 HydrophobicContact CG2-CB 4.2Å
40N97.4Very high96.4Very high66 Ų6655.1 Ų55.135%0.35331%0.311SS..EExtended strand (participates in β ladder)trans-103.5147.8175.3-59.4-42.1000109.6W28 G30 E31W28-N40 HydrophobicContact CH2-CB 3.74Å; W28-N40 HydrophobicContact CZ2-CB 4.37Å; G30-N40 CarbonylContact C-O 3.46Å; G30-N40 WeakPolarHBondContact CA-O 3.46Å; E31-N40 HydrophobicContact CG-CB 4.14Å; E31-N40 PolarHBondContact N-O 2.98Å; E31-N40 PolarHBondContact O-N 2.87Å; E31-N40 PolarHBondContact OE1-ND2 3.28Å; E31-N40 VanDerWaalsContact OE1-ND2 3.11Å
41Y97.8Very high96.5Very high44 Ų4455.3 Ų55.317%0.17331%0.311CS..EExtended strand (participates in β ladder)trans-137.4153.5-179.5-70-88.7000111I29 I39 K46 F49 I51I29-Y41 WeakPolarHBondContact O-CA 3.38Å; I39-Y41 HydrophobicContact CB-CE2 3.92Å; I39-Y41 HydrophobicContact CG2-CD2 4.03Å; I39-Y41 HydrophobicContact CG2-CE1 4.42Å; I39-Y41 HydrophobicContact CG2-CE2 3.27Å; Y41-K46 HydrophobicContact CD2-CD 4.36Å; Y41-K46 HydrophobicContact CD2-CG 3.95Å; Y41-K46 HydrophobicContact CG-CB 4.1Å; Y41-K46 HydrophobicContact CG-CG 3.98Å; Y41-F49 WeakPolarHBondContact CE1-O 3.41Å; Y41-I51 HydrophobicContact CD1-CD1 4.36Å; Y41-I51 HydrophobicContact CE1-CB 4.49Å; Y41-I51 HydrophobicContact CE1-CD1 3.87Å; Y41-I51 HydrophobicContact CE1-CG1 3.84Å; Y41-I51 PolarHBondContact OH-N 3.47Å
42T97Very high96.5Very high30 Ų3055.9 Ų55.918%0.18432%0.32CS..  trans-65.2124.7157.2-68.20000108.8W28 I29 S44 L45 K46W28-T42 WeakPolarHBondContact O-CB 3.16Å; W28-T42 PolarHBondContact O-OG1 3.39Å; I29-T42 PolarHBondContact O-N 2.86Å; T42-S44 VanDerWaalsContact C-N 3.28Å; T42-S44 WeakPolarHBondContact CG2-OG 2.97Å; T42-S44 PolarHBondContact O-N 2.77Å; T42-S44 VanDerWaalsContact O-N 3.15Å; T42-L45 HydrophobicContact CG2-CD1 4.28Å; T42-L45 HydrophobicContact CG2-CG 4.13Å; T42-L45 PolarHBondContact O-N 2.9Å; T42-K46 PolarHBondContact O-N 2.92Å
43P95.5Very high96.5Very high117 Ų11757 Ų5776%0.7632%0.324SS*.THydrogen-bonded Turntrans-53.8-39.7-171.4-30.735.9000114.8L45P43-L45 PolarHBondContact O-N 3.22Å
44S92.5Very high96.5Very high84 Ų8458.3 Ų58.359%0.58733%0.331SS*.THydrogen-bonded Turntrans-69.4-15.4179.354.60000114.3T42T42-S44 VanDerWaalsContact C-N 3.28Å; T42-S44 WeakPolarHBondContact CG2-OG 2.97Å; T42-S44 PolarHBondContact O-N 2.77Å; T42-S44 VanDerWaalsContact O-N 3.15Å
45L93.6Very high96.5Very high4 Ų459.6 Ų59.62%0.02134%0.336CS..THydrogen-bonded Turntrans-110.5-13.9-173-58.1-174.1000113.4R19 E27 I29 T42 P43 D47 K48 F49R19-L45 VanDerWaalsContact NH2-CD2 3.34Å; E27-L45 HydrophobicContact CG-CD1 4.3Å; I29-L45 HydrophobicContact CB-CD1 4.47Å; I29-L45 HydrophobicContact CG1-CD1 4.14Å; T42-L45 HydrophobicContact CG2-CD1 4.28Å; T42-L45 HydrophobicContact CG2-CG 4.13Å; T42-L45 PolarHBondContact O-N 2.9Å; P43-L45 PolarHBondContact O-N 3.22Å; L45-D47 VanDerWaalsContact C-N 3.27Å; L45-D47 PolarHBondContact O-N 3.28Å; L45-K48 PolarHBondContact O-N 3.06Å; L45-F49 HydrophobicContact CB-CD2 3.94Å; L45-F49 HydrophobicContact CB-CE2 4.17Å; L45-F49 HydrophobicContact CD1-CE2 4.5Å; L45-F49 HydrophobicContact CD2-CE2 4.22Å; L45-F49 WeakPolarHBondContact O-CD2 3.39Å; L45-F49 PolarHBondContact O-N 3.23Å
46K92.3Very high96.6Very high126 Ų12658.9 Ų58.955%0.54835%0.346SS..THydrogen-bonded Turntrans-56.8-35.6-176.2-175.8179176.6-177.50113.8Y41 T42 K48Y41-K46 HydrophobicContact CD2-CD 4.36Å; Y41-K46 HydrophobicContact CD2-CG 3.95Å; Y41-K46 HydrophobicContact CG-CB 4.1Å; Y41-K46 HydrophobicContact CG-CG 3.98Å; T42-K46 PolarHBondContact O-N 2.92Å; K46-K48 VanDerWaalsContact C-N 3.29Å; K46-K48 PolarHBondContact O-N 3.45Å
47D93.1Very high96.6Very high125 Ų12562.5 Ų62.567%0.66835%0.354SS*.THydrogen-bonded Turntrans-80.9-10.6-178-67-26.2000113.7L45L45-D47 VanDerWaalsContact C-N 3.27Å; L45-D47 PolarHBondContact O-N 3.28Å
48K95.4Very high96.6Very high26 Ų2661.5 Ų61.511%0.11334%0.342CS..THydrogen-bonded Turntrans-99.7-33.1-177.2-60.5-173.5177.7-168.40112.5L45 K46 S65 E70 D71L45-K48 PolarHBondContact O-N 3.06Å; K46-K48 VanDerWaalsContact C-N 3.29Å; K46-K48 PolarHBondContact O-N 3.45Å; K48-S65 PolarHBondContact O-N 3.03Å; K48-E70 IonicContact NZ-OE1 2.87Å; K48-E70 PolarHBondContact NZ-OE1 2.86Å; K48-D71 VanDerWaalsContact NZ-CG 3.26Å; K48-D71 IonicContact NZ-OD1 2.66Å; K48-D71 PolarHBondContact NZ-OD1 3.31Å; K48-D71 IonicContact NZ-OD2 3.62Å; K48-D71 PolarHBondContact NZ-OD2 3.12Å
49F96.4Very high96.6Very high1 Ų159.6 Ų59.60%0.00433%0.331CS..EExtended strand (participates in β ladder)trans-124.1139.2-170.3-55.6-60.5000112.5I29 Y41 L45 L62 Q63 M64 V67 Y75I29-F49 HydrophobicContact CD1-CD2 4.46Å; I29-F49 HydrophobicContact CD1-CE2 4.45Å; I29-F49 HydrophobicContact CG2-CB 4.06Å; I29-F49 HydrophobicContact CG2-CD2 3.65Å; I29-F49 HydrophobicContact CG2-CE2 4.45Å; I29-F49 HydrophobicContact CG2-CG 4.06Å; Y41-F49 WeakPolarHBondContact CE1-O 3.41Å; L45-F49 HydrophobicContact CB-CD2 3.94Å; L45-F49 HydrophobicContact CB-CE2 4.17Å; L45-F49 HydrophobicContact CD1-CE2 4.5Å; L45-F49 HydrophobicContact CD2-CE2 4.22Å; L45-F49 WeakPolarHBondContact O-CD2 3.39Å; L45-F49 PolarHBondContact O-N 3.23Å; F49-L62 HydrophobicContact CB-CD1 3.8Å; F49-L62 HydrophobicContact CB-CG 4.42Å; F49-L62 HydrophobicContact CD1-CD1 4.49Å; F49-L62 HydrophobicContact CD1-CD2 4.22Å; F49-L62 HydrophobicContact CD1-CG 4.27Å; F49-L62 HydrophobicContact CG-CD1 4.31Å; F49-Q63 CarbonylContact C-O 3.6Å; F49-Q63 WeakPolarHBondContact CA-O 3.18Å; F49-M64 HydrophobicContact CD1-CB 4.16Å; F49-M64 HydrophobicContact CD1-CE 4.4Å; F49-M64 HydrophobicContact CD1-CG 3.75Å; F49-M64 HydrophobicContact CE1-CB 4.18Å; F49-M64 HydrophobicContact CE1-CE 3.58Å; F49-M64 HydrophobicContact CE1-CG 3.82Å; F49-M64 HydrophobicContact CZ-CE 4.37Å; F49-V67 HydrophobicContact CE1-CG1 3.69Å; F49-V67 HydrophobicContact CZ-CG1 4.21Å; F49-Y75 HydrophobicContact CE1-CE1 4.24Å; F49-Y75 HydrophobicContact CZ-CE1 4.19Å; F49-Y75 WeakPolarHBondContact CZ-OH 3.39Å
50I97.1Very high96.6Very high82 Ų8256.5 Ų56.542%0.42132%0.315SS..EExtended strand (participates in β ladder)trans-120.7120.2173-56.7170.2000107.6L62 Q63I50-L62 CarbonylContact O-C 3.59Å; I50-L62 WeakPolarHBondContact O-CA 3.46Å; I50-Q63 HydrophobicContact CB-CB 4.22Å; I50-Q63 PolarHBondContact N-O 2.8Å; I50-Q63 PolarHBondContact O-N 2.82Å
51I98.3Very high96.7Very high3 Ų356.7 Ų56.72%0.01531%0.311CS..EExtended strand (participates in β ladder)trans-92.1135.4175.8-58.6173000108.8I32 I39 Y41 L60 Y61 L62I32-I51 HydrophobicContact CB-CG2 3.87Å; I32-I51 HydrophobicContact CG2-CG2 3.65Å; I39-I51 HydrophobicContact CG2-CB 4.2Å; Y41-I51 HydrophobicContact CD1-CD1 4.36Å; Y41-I51 HydrophobicContact CE1-CB 4.49Å; Y41-I51 HydrophobicContact CE1-CD1 3.87Å; Y41-I51 HydrophobicContact CE1-CG1 3.84Å; Y41-I51 PolarHBondContact OH-N 3.47Å; I51-L60 HydrophobicContact CG2-CD1 4Å; I51-Y61 WeakPolarHBondContact CA-O 3.42Å; I51-L62 HydrophobicContact CG1-CD1 3.68Å
52S98.4Very high96.7Very high51 Ų5154.6 Ų54.636%0.35730%0.303SS..EExtended strand (participates in β ladder)trans-146.3167170.962.60000110.4Y61S52-Y61 PolarHBondContact N-O 3.11Å; S52-Y61 VanDerWaalsContact N-O 3.14Å; S52-Y61 PolarHBondContact O-N 2.93Å
53R98.5Very high96.8Very high25 Ų2558.5 Ų58.59%0.09432%0.319CS..EExtended strand (participates in β ladder)trans-143153.1-178.464.2-176-67.6158.73.3111.6F10 Y13 I32 N33 P34 S36 N55 T59 L60F10-R53 VanDerWaalsContact CD1-NH2 3.3Å; F10-R53 HydrophobicContact CE1-CB 4.17Å; F10-R53 HydrophobicContact CZ-CB 4.07Å; F10-R53 PolarHBondContact O-NH2 3.15Å; Y13-R53 PolarHBondContact O-NH1 3.1Å; I32-R53 HydrophobicContact CD1-CG 3.92Å; I32-R53 HydrophobicContact CG1-CG 4.38Å; I32-R53 HydrophobicContact CG2-CB 4.47Å; N33-R53 WeakPolarHBondContact O-CD 3Å; N33-R53 PolarHBondContact O-NH1 2.87Å; P34-R53 VanDerWaalsContact CA-NH1 3.28Å; P34-R53 PolarHBondContact O-NE 3.47Å; S36-R53 WeakPolarHBondContact OG-CD 3.3Å; S36-R53 WeakPolarHBondContact OG-CG 3.35Å; R53-N55 PolarHBondContact NE-OD1 2.71Å; R53-N55 PolarHBondContact NH2-OD1 3.17Å; R53-T59 CarbonylContact C-O 3.58Å; R53-T59 WeakPolarHBondContact CA-O 3.49Å; R53-L60 HydrophobicContact CB-CD1 4.19Å
54D98.3Very high96.8Very high41 Ų4155.2 Ų55.222%0.21929%0.294CS..EExtended strand (participates in β ladder)trans-126.2107.7171.2-176.4-24.8000108.5A56 K57 N58 T59 Y61D54-A56 WeakPolarHBondContact OD1-CB 3.3Å; D54-A56 PolarHBondContact OD1-N 2.78Å; D54-K57 HydrophobicContact CB-CB 4.22Å; D54-K57 PolarHBondContact O-N 3.14Å; D54-K57 PolarHBondContact OD1-N 2.81Å; D54-K57 VanDerWaalsContact OD1-N 3.11Å; D54-K57 VanDerWaalsContact OD2-CD 3.23Å; D54-K57 WeakPolarHBondContact OD2-CD 3.02Å; D54-K57 VanDerWaalsContact OD2-CE 3.27Å; D54-K57 WeakPolarHBondContact OD2-CE 3.47Å; D54-K57 WeakPolarHBondContact OD2-CG 3.46Å; D54-K57 IonicContact OD2-NZ 2.73Å; D54-K57 PolarHBondContact OD2-NZ 2.78Å; D54-N58 PolarHBondContact O-N 2.92Å; D54-T59 PolarHBondContact N-O 3.2Å; D54-T59 PolarHBondContact O-N 2.93Å; D54-Y61 HydrophobicContact CB-CE2 3.85Å
55N97.9Very high96.7Very high59 Ų5954.5 Ų54.532%0.31629%0.29SS..THydrogen-bonded Turntrans-71.7-29.2-178.2-72.6-16.5000112.6F10 P34 R53 K57 N58F10-N55 WeakPolarHBondContact CE1-OD1 3.34Å; P34-N55 PolarHBondContact O-ND2 2.89Å; R53-N55 PolarHBondContact NE-OD1 2.71Å; R53-N55 PolarHBondContact NH2-OD1 3.17Å; N55-K57 VanDerWaalsContact C-N 3.26Å; N55-K57 PolarHBondContact O-N 3.04Å; N55-N58 PolarHBondContact O-N 3.05Å; N55-N58 PolarHBondContact O-OD1 2.91Å
56A97.1Very high96.5Very high96 Ų9661.1 Ų61.179%0.79332%0.318SS*.THydrogen-bonded Turntrans-69.8-29.2177.100000111.4D54D54-A56 WeakPolarHBondContact OD1-CB 3.3Å; D54-A56 PolarHBondContact OD1-N 2.78Å
57K97.8Very high96.6Very high128 Ų12857.4 Ų57.456%0.55731%0.306SS*.THydrogen-bonded Turntrans-98.41.7177-61.7-177-167.3124.60114.1D54 N55 T59D54-K57 HydrophobicContact CB-CB 4.22Å; D54-K57 PolarHBondContact O-N 3.14Å; D54-K57 PolarHBondContact OD1-N 2.81Å; D54-K57 VanDerWaalsContact OD1-N 3.11Å; D54-K57 VanDerWaalsContact OD2-CD 3.23Å; D54-K57 WeakPolarHBondContact OD2-CD 3.02Å; D54-K57 VanDerWaalsContact OD2-CE 3.27Å; D54-K57 WeakPolarHBondContact OD2-CE 3.47Å; D54-K57 WeakPolarHBondContact OD2-CG 3.46Å; D54-K57 IonicContact OD2-NZ 2.73Å; D54-K57 PolarHBondContact OD2-NZ 2.78Å; N55-K57 VanDerWaalsContact C-N 3.26Å; N55-K57 PolarHBondContact O-N 3.04Å; K57-T59 PolarHBondContact O-N 2.92Å; K57-T59 VanDerWaalsContact O-N 3.12Å; K57-T59 PolarHBondContact O-OG1 2.7Å
58N97.9Very high96.7Very high64 Ų6458.9 Ų58.934%0.34230%0.302SS..THydrogen-bonded Turntrans47.339.1-171.6-61.8-40.5000112.9A5 F10 D54 N55A5-N58 PolarHBondContact N-O 3.4Å; F10-N58 HydrophobicContact CB-CB 3.91Å; F10-N58 HydrophobicContact CD1-CB 4.39Å; F10-N58 HydrophobicContact CG-CB 4.18Å; D54-N58 PolarHBondContact O-N 2.92Å; N55-N58 PolarHBondContact O-N 3.05Å; N55-N58 PolarHBondContact O-OD1 2.91Å
59T98.5Very high96.6Very high15 Ų1561 Ų619%0.09232%0.32CS..EExtended strand (participates in β ladder)trans-122.5130.8-169.7-59.40000111.7C3 R53 D54 K57 Y61C3-T59 CarbonylContact O-C 3.56Å; C3-T59 WeakPolarHBondContact O-CA 3.37Å; R53-T59 CarbonylContact C-O 3.58Å; R53-T59 WeakPolarHBondContact CA-O 3.49Å; D54-T59 PolarHBondContact N-O 3.2Å; D54-T59 PolarHBondContact O-N 2.93Å; K57-T59 PolarHBondContact O-N 2.92Å; K57-T59 VanDerWaalsContact O-N 3.12Å; K57-T59 PolarHBondContact O-OG1 2.7Å; T59-Y61 HydrophobicContact CG2-CD1 4.19Å; T59-Y61 HydrophobicContact CG2-CD2 4.38Å; T59-Y61 HydrophobicContact CG2-CE1 3.57Å; T59-Y61 HydrophobicContact CG2-CE2 3.79Å; T59-Y61 WeakPolarHBondContact CG2-OH 3.3Å
60L98.7Very high96.5Very high0 Ų066.3 Ų66.30%035%0.345CS..EExtended strand (participates in β ladder)trans-96.7142.4170.5-173.272.2000110S2 C3 F10 M15 W17 I32 I51 R53 C77S2-L60 CarbonylContact C-O 3.44Å; S2-L60 VanDerWaalsContact CA-O 3.3Å; S2-L60 WeakPolarHBondContact CA-O 3.37Å; C3-L60 HydrophobicContact CB-CB 4.39Å; C3-L60 PolarHBondContact N-O 3.31Å; C3-L60 PolarHBondContact O-N 3.35Å; F10-L60 HydrophobicContact CE2-CB 4.17Å; F10-L60 HydrophobicContact CZ-CB 4.13Å; M15-L60 HydrophobicContact CB-CD1 3.78Å; M15-L60 HydrophobicContact CB-CD2 3.89Å; M15-L60 HydrophobicContact CB-CG 4.35Å; W17-L60 HydrophobicContact CD2-CD2 4.29Å; W17-L60 HydrophobicContact CG-CD2 4.24Å; W17-L60 HydrophobicContact CZ2-CD2 4.25Å; W17-L60 HydrophobicContact CZ2-CG 4.38Å; W17-L60 VanDerWaalsContact NE1-CG 3.35Å; I32-L60 HydrophobicContact CG2-CD1 3.47Å; I32-L60 VanDerWaalsContact CG2-CD1 3.47Å; I51-L60 HydrophobicContact CG2-CD1 4Å; R53-L60 HydrophobicContact CB-CD1 4.19Å; L60-C77 HydrophobicContact CD2-CB 4.02Å
61Y98.6Very high96.5Very high69 Ų6962.4 Ų62.427%0.27133%0.325SS..EExtended strand (participates in β ladder)trans-124.4147.7179.4-58-81.5000111.7L1 W17 I51 S52 D54 T59L1-Y61 CarbonylContact O-C 3.59Å; L1-Y61 VanDerWaalsContact O-CA 3.3Å; L1-Y61 WeakPolarHBondContact O-CA 3.48Å; W17-Y61 PolarHBondContact NE1-O 3Å; I51-Y61 WeakPolarHBondContact CA-O 3.42Å; S52-Y61 PolarHBondContact N-O 3.11Å; S52-Y61 VanDerWaalsContact N-O 3.14Å; S52-Y61 PolarHBondContact O-N 2.93Å; D54-Y61 HydrophobicContact CB-CE2 3.85Å; T59-Y61 HydrophobicContact CG2-CD1 4.19Å; T59-Y61 HydrophobicContact CG2-CD2 4.38Å; T59-Y61 HydrophobicContact CG2-CE1 3.57Å; T59-Y61 HydrophobicContact CG2-CE2 3.79Å; T59-Y61 WeakPolarHBondContact CG2-OH 3.3Å
62L98.5Very high96.4Very high1 Ų163.9 Ų63.91%0.00533%0.334CS..EExtended strand (participates in β ladder)trans-128.5104.7169.1-169.170.2000108.2L1 W17 I29 F49 I50 I51 M64 Y75L1-L62 HydrophobicContact CB-CB 4.23Å; L1-L62 HydrophobicContact CD1-CD2 4.32Å; L1-L62 PolarHBondContact N-O 3.25Å; L1-L62 PolarHBondContact O-N 2.97Å; W17-L62 HydrophobicContact CB-CD1 4.22Å; W17-L62 HydrophobicContact CB-CD2 4.42Å; W17-L62 HydrophobicContact CD2-CB 3.88Å; W17-L62 HydrophobicContact CD2-CD1 4.47Å; W17-L62 HydrophobicContact CD2-CD2 4.07Å; W17-L62 HydrophobicContact CD2-CG 4.38Å; W17-L62 HydrophobicContact CE3-CD2 4.23Å; W17-L62 HydrophobicContact CG-CB 4.15Å; W17-L62 HydrophobicContact CG-CD1 3.9Å; W17-L62 HydrophobicContact CG-CD2 4.15Å; W17-L62 HydrophobicContact CG-CG 4.31Å; W17-L62 HydrophobicContact CZ2-CB 3.95Å; I29-L62 HydrophobicContact CD1-CD2 3.99Å; I29-L62 HydrophobicContact CG2-CD1 4.37Å; F49-L62 HydrophobicContact CB-CD1 3.8Å; F49-L62 HydrophobicContact CB-CG 4.42Å; F49-L62 HydrophobicContact CD1-CD1 4.49Å; F49-L62 HydrophobicContact CD1-CD2 4.22Å; F49-L62 HydrophobicContact CD1-CG 4.27Å; F49-L62 HydrophobicContact CG-CD1 4.31Å; I50-L62 CarbonylContact O-C 3.59Å; I50-L62 WeakPolarHBondContact O-CA 3.46Å; I51-L62 HydrophobicContact CG1-CD1 3.68Å; L62-M64 HydrophobicContact CD2-CG 4.37Å; L62-M64 HydrophobicContact CG-CG 4.32Å; L62-Y75 HydrophobicContact CD2-CD1 3.75Å; L62-Y75 HydrophobicContact CD2-CE1 3.99Å
63Q98Very high96.4Very high112 Ų11261.6 Ų61.652%0.52332%0.319SS..EExtended strand (participates in β ladder)trans-82.2134.1169.7177.4178-12.900109.1F49 I50F49-Q63 CarbonylContact C-O 3.6Å; F49-Q63 WeakPolarHBondContact CA-O 3.18Å; I50-Q63 HydrophobicContact CB-CB 4.22Å; I50-Q63 PolarHBondContact N-O 2.8Å; I50-Q63 PolarHBondContact O-N 2.82Å
64M95.4Very high96.4Very high47 Ų4763.6 Ų63.623%0.23233%0.331CS..EExtended strand (participates in β ladder)trans-120.5111.4-174.6-55.9172.687.700107.3L1 F49 L62 V67 Y75 V94L1-M64 HydrophobicContact CD1-SD 4.13Å; L1-M64 HydrophobicContact CG-SD 3.95Å; F49-M64 HydrophobicContact CD1-CB 4.16Å; F49-M64 HydrophobicContact CD1-CE 4.4Å; F49-M64 HydrophobicContact CD1-CG 3.75Å; F49-M64 HydrophobicContact CE1-CB 4.18Å; F49-M64 HydrophobicContact CE1-CE 3.58Å; F49-M64 HydrophobicContact CE1-CG 3.82Å; F49-M64 HydrophobicContact CZ-CE 4.37Å; L62-M64 HydrophobicContact CD2-CG 4.37Å; L62-M64 HydrophobicContact CG-CG 4.32Å; M64-V67 HydrophobicContact CB-CG1 3.78Å; M64-V67 HydrophobicContact CE-CG1 4.11Å; M64-Y75 HydrophobicContact CE-CD1 4.29Å; M64-Y75 HydrophobicContact CE-CD2 4.42Å; M64-Y75 HydrophobicContact CE-CE1 3.57Å; M64-Y75 HydrophobicContact CE-CE2 3.74Å; M64-Y75 VanDerWaalsContact CE-OH 3.25Å; M64-Y75 WeakPolarHBondContact CE-OH 3.34Å; M64-V94 HydrophobicContact CE-CG1 4.11Å; M64-V94 HydrophobicContact CE-CG2 4.48Å
65S90.3Very high96.4Very high70 Ų7061.7 Ų61.749%0.4932%0.32SS..  trans-114.7-40.9-169.1-57.60000113.8K48K48-S65 PolarHBondContact O-N 3.03Å
66K89.9Confident96.5Very high142 Ų14260.6 Ų60.662%0.61731%0.312SS*.SBendtrans-116.940.4-175.7-61.3-178.4-174.8169.80111.8
67V94Very high96.5Very high48 Ų4856.5 Ų56.529%0.29128%0.278SS..  trans-73.6147.3-178.3-68.40000111.8F49 M64 D71 V96F49-V67 HydrophobicContact CE1-CG1 3.69Å; F49-V67 HydrophobicContact CZ-CG1 4.21Å; M64-V67 HydrophobicContact CB-CG1 3.78Å; M64-V67 HydrophobicContact CE-CG1 4.11Å; V67-D71 WeakPolarHBondContact CA-OD2 3.32Å; V67-D71 HydrophobicContact CB-CB 4.24Å; V67-D71 HydrophobicContact CG1-CB 4.3Å; V67-V96 HydrophobicContact CB-CG2 4.27Å; V67-V96 HydrophobicContact CG2-CG1 4.35Å; V67-V96 HydrophobicContact CG2-CG2 4.15Å
68R94.8Very high96.5Very high156 Ų15650.5 Ų50.559%0.58925%0.251SS*.  trans-127.2173.6177.8-61.4177-174.8-175.8-1.4109.4E70 D71 V96R68-E70 HydrophobicContact CB-CG 4.02Å; R68-E70 PolarHBondContact O-N 3.07Å; R68-E70 VanDerWaalsContact O-N 3.15Å; R68-D71 PolarHBondContact N-OD2 2.84Å; R68-D71 WeakPolarHBondContact O-CB 3.34Å; R68-D71 PolarHBondContact O-N 2.98Å; R68-V96 WeakPolarHBondContact O-CB 3.24Å
69S95.3Very high96.5Very high70 Ų7049.1 Ų49.149%0.4924%0.241SC..G310 helixtrans-54.6-34.6178.7540000113.4D71 T72 V96S69-D71 PolarHBondContact O-N 2.77Å; S69-T72 VanDerWaalsContact O-CB 3.3Å; S69-T72 WeakPolarHBondContact O-CB 3.25Å; S69-T72 PolarHBondContact O-N 2.76Å; S69-T72 VanDerWaalsContact O-N 3.09Å; S69-T72 PolarHBondContact O-OG1 3.03Å; S69-V96 WeakPolarHBondContact CA-O 3.44Å
70E93.6Very high96.2Very high113 Ų11349.6 Ų49.653%0.52824%0.243SC..G310 helixtrans-62.2-18.2174.472.6-160.8-160.900114.3K48 R68 T72K48-E70 IonicContact NZ-OE1 2.87Å; K48-E70 PolarHBondContact NZ-OE1 2.86Å; R68-E70 HydrophobicContact CB-CG 4.02Å; R68-E70 PolarHBondContact O-N 3.07Å; R68-E70 VanDerWaalsContact O-N 3.15Å; E70-T72 VanDerWaalsContact C-N 3.28Å
71D95.9Very high95.8Very high0 Ų053.9 Ų53.90%026%0.26CS..G310 helixtrans-883.9177.4-57.6-57.5000112.2R19 K48 V67 R68 S69 A73 Y75R19-D71 IonicContact CZ-OD1 3.19Å; R19-D71 IonicContact NH1-OD1 3.93Å; R19-D71 PolarHBondContact NH1-OD1 2.86Å; R19-D71 IonicContact NH2-OD1 2.79Å; K48-D71 VanDerWaalsContact NZ-CG 3.26Å; K48-D71 IonicContact NZ-OD1 2.66Å; K48-D71 PolarHBondContact NZ-OD1 3.31Å; K48-D71 IonicContact NZ-OD2 3.62Å; K48-D71 PolarHBondContact NZ-OD2 3.12Å; V67-D71 WeakPolarHBondContact CA-OD2 3.32Å; V67-D71 HydrophobicContact CB-CB 4.24Å; V67-D71 HydrophobicContact CG1-CB 4.3Å; R68-D71 PolarHBondContact N-OD2 2.84Å; R68-D71 WeakPolarHBondContact O-CB 3.34Å; R68-D71 PolarHBondContact O-N 2.98Å; S69-D71 PolarHBondContact O-N 2.77Å; D71-A73 PolarHBondContact O-N 3.18Å; D71-Y75 PolarHBondContact O-OH 3.12Å
72T97.5Very high95.1Very high34 Ų3460 Ų6021%0.20928%0.283CS..  trans-61.6117.5171.2-67.10000110.6P22 S69 E70 V94 T95 V96P22-T72 WeakPolarHBondContact CD-O 3.46Å; S69-T72 VanDerWaalsContact O-CB 3.3Å; S69-T72 WeakPolarHBondContact O-CB 3.25Å; S69-T72 PolarHBondContact O-N 2.76Å; S69-T72 VanDerWaalsContact O-N 3.09Å; S69-T72 PolarHBondContact O-OG1 3.03Å; E70-T72 VanDerWaalsContact C-N 3.28Å; T72-V94 WeakPolarHBondContact CA-O 3.25Å; T72-T95 HydrophobicContact CG2-CG2 4.27Å; T72-V96 PolarHBondContact OG1-N 3.47Å; T72-V96 PolarHBondContact OG1-O 3.01Å
73A98.1Very high94.2Very high4 Ų471.7 Ų71.73%0.03333%0.329CS..EExtended strand (participates in β ladder)trans-164.2167.2-17400000112.3R19 Q20 D71 Y75 V94R19-A73 HydrophobicContact CB-CB 3.98Å; R19-A73 HydrophobicContact CG-CB 4.49Å; Q20-A73 WeakPolarHBondContact O-CA 3.37Å; Q20-A73 VanDerWaalsContact O-CB 3.31Å; Q20-A73 WeakPolarHBondContact O-CB 3.39Å; D71-A73 PolarHBondContact O-N 3.18Å; A73-Y75 HydrophobicContact CB-CD2 4.21Å; A73-Y75 HydrophobicContact CB-CE2 3.74Å; A73-Y75 WeakPolarHBondContact O-CD2 3.4Å; A73-V94 PolarHBondContact N-O 3.01Å; A73-V94 VanDerWaalsContact N-O 3.07Å; A73-V94 PolarHBondContact O-N 2.95Å
74L98.4Very high93.7Very high66 Ų6668.7 Ų68.735%0.34632%0.323SS..EExtended strand (participates in β ladder)trans-80.1132.2157.4-75.3165.1000109.2R19 Q20 Y76 T92R19-L74 CarbonylContact C-O 3.57Å; R19-L74 WeakPolarHBondContact CA-O 3.32Å; Q20-L74 HydrophobicContact CB-CB 4.49Å; Q20-L74 PolarHBondContact N-O 2.84Å; Q20-L74 PolarHBondContact O-N 3.26Å; L74-Y76 HydrophobicContact CB-CE2 3.7Å; L74-Y76 WeakPolarHBondContact CD1-OH 3.5Å; L74-T92 CarbonylContact C-O 3.46Å; L74-T92 WeakPolarHBondContact CA-O 3.21Å
75Y98.6Very high93.6Very high2 Ų269.6 Ų69.61%0.00833%0.328CS..EExtended strand (participates in β ladder)trans-114.2126.9-179.7-74.5-100.5000110.5L1 V18 R19 I29 F49 L62 M64 D71 A73 G91 T92 V94L1-Y75 VanDerWaalsContact CD1-CB 3.46Å; L1-Y75 HydrophobicContact CD1-CD1 4.06Å; L1-Y75 HydrophobicContact CD1-CD2 4.36Å; L1-Y75 HydrophobicContact CD1-CG 3.72Å; V18-Y75 CarbonylContact O-C 3.57Å; V18-Y75 WeakPolarHBondContact O-CA 3.48Å; R19-Y75 HydrophobicContact CB-CD1 3.94Å; R19-Y75 HydrophobicContact CB-CE1 3.92Å; R19-Y75 HydrophobicContact CB-CG 4.29Å; I29-Y75 HydrophobicContact CD1-CD1 3.68Å; I29-Y75 HydrophobicContact CD1-CE1 3.53Å; F49-Y75 HydrophobicContact CE1-CE1 4.24Å; F49-Y75 HydrophobicContact CZ-CE1 4.19Å; F49-Y75 WeakPolarHBondContact CZ-OH 3.39Å; L62-Y75 HydrophobicContact CD2-CD1 3.75Å; L62-Y75 HydrophobicContact CD2-CE1 3.99Å; M64-Y75 HydrophobicContact CE-CD1 4.29Å; M64-Y75 HydrophobicContact CE-CD2 4.42Å; M64-Y75 HydrophobicContact CE-CE1 3.57Å; M64-Y75 HydrophobicContact CE-CE2 3.74Å; M64-Y75 VanDerWaalsContact CE-OH 3.25Å; M64-Y75 WeakPolarHBondContact CE-OH 3.34Å; D71-Y75 PolarHBondContact O-OH 3.12Å; A73-Y75 HydrophobicContact CB-CD2 4.21Å; A73-Y75 HydrophobicContact CB-CE2 3.74Å; A73-Y75 WeakPolarHBondContact O-CD2 3.4Å; Y75-G91 CarbonylContact O-C 3.6Å; Y75-G91 VanDerWaalsContact O-CA 3.22Å; Y75-G91 WeakPolarHBondContact O-CA 3.42Å; Y75-T92 PolarHBondContact N-O 3.18Å; Y75-T92 PolarHBondContact O-N 2.95Å; Y75-V94 HydrophobicContact CD2-CB 3.85Å; Y75-V94 HydrophobicContact CD2-CG2 3.71Å; Y75-V94 HydrophobicContact CE2-CB 3.78Å; Y75-V94 HydrophobicContact CE2-CG2 4.07Å; Y75-V94 HydrophobicContact CG-CG2 4.47Å
76Y98.6Very high93.7Very high36 Ų3669.6 Ų69.614%0.14132%0.322CS..EExtended strand (participates in β ladder)trans-119.5139-177.5-52.1-90.6000109.9W17 V18 Q20 L26 L74 W88W17-Y76 CarbonylContact C-O 3.56Å; W17-Y76 WeakPolarHBondContact CA-O 3.08Å; W17-Y76 VanDerWaalsContact CE3-O 3.22Å; V18-Y76 PolarHBondContact N-O 3.37Å; V18-Y76 PolarHBondContact O-N 3.1Å; Q20-Y76 HydrophobicContact CB-CE2 4.01Å; Q20-Y76 PolarHBondContact OE1-OH 3.05Å; L26-Y76 HydrophobicContact CD2-CD2 4.26Å; L26-Y76 HydrophobicContact CD2-CE2 4.1Å; L74-Y76 HydrophobicContact CB-CE2 3.7Å; L74-Y76 WeakPolarHBondContact CD1-OH 3.5Å; Y76-W88 HydrophobicContact CG-CE3 4.3Å; Y76-W88 HydrophobicContact CG-CZ3 4.43Å
77C98.1Very high94Very high10 Ų1067.8 Ų67.87%0.06831%0.312CS..EExtended strand (participates in β ladder)trans-91.7146.3159.954.80000109.2C3 S16 W17 L60 G89C3-C77 HydrophobicContact CB-CB 3.43Å; C3-C77 VanDerWaalsContact CB-CB 3.43Å; C3-C77 WeakPolarHBondContact CB-SG 3.36Å; C3-C77 WeakPolarHBondContact SG-CB 3.41Å; C3-C77 CovalentContact SG-SG 2.02Å; C3-C77 PolarHBondContact SG-SG 3.12Å; S16-C77 CarbonylContact O-C 3.53Å; S16-C77 VanDerWaalsContact O-CA 3.3Å; S16-C77 WeakPolarHBondContact O-CA 3.36Å; W17-C77 HydrophobicContact CE3-CB 4.34Å; W17-C77 HydrophobicContact CH2-CB 4.2Å; W17-C77 HydrophobicContact CZ2-CB 4.38Å; W17-C77 HydrophobicContact CZ3-CB 4.18Å; L60-C77 HydrophobicContact CD2-CB 4.02Å; C77-G89 PolarHBondContact O-N 2.59Å
78A97.9Very high94.1Very high1 Ų169.8 Ų69.81%0.00832%0.315CS..EExtended strand (participates in β ladder)trans-142149.317600000111.6M15 S16 M85 Y87 W88M15-A78 CarbonylContact C-O 3.59Å; M15-A78 WeakPolarHBondContact CA-O 3.27Å; M15-A78 WeakPolarHBondContact CE-O 3.35Å; S16-A78 PolarHBondContact N-O 3.11Å; S16-A78 PolarHBondContact O-N 3.44Å; A78-M85 HydrophobicContact CB-CB 4.23Å; A78-M85 HydrophobicContact CB-CG 4.19Å; A78-M85 HydrophobicContact CB-SD 4.27Å; A78-Y87 CarbonylContact C-O 3.39Å; A78-Y87 WeakPolarHBondContact CA-O 3.29Å; A78-Y87 WeakPolarHBondContact CB-O 3.34Å; A78-W88 HydrophobicContact CB-CD2 3.85Å; A78-W88 HydrophobicContact CB-CE3 3.96Å; A78-W88 HydrophobicContact CB-CG 4.32Å; A78-W88 HydrophobicContact CB-CH2 4.45Å; A78-W88 HydrophobicContact CB-CZ2 4.35Å; A78-W88 HydrophobicContact CB-CZ3 4.26Å
79R97.3Very high94.2Very high35 Ų3563.5 Ų63.513%0.13230%0.299CS..EExtended strand (participates in β ladder)trans-85.3137.5169.5-176.7-176.372.3-177.13.3109.3F8 Y13 M15 M85 D86 Y87F8-R79 HydrophobicContact CE2-CB 4.43Å; F8-R79 HydrophobicContact CE2-CG 4.13Å; F8-R79 HydrophobicContact CZ-CB 4.18Å; F8-R79 HydrophobicContact CZ-CG 4.37Å; Y13-R79 HydrophobicContact CD1-CG 4.25Å; Y13-R79 HydrophobicContact CD2-CG 4.45Å; Y13-R79 HydrophobicContact CG-CG 3.87Å; M15-R79 HydrophobicContact CE-CB 4.39Å; M15-R79 HydrophobicContact SD-CB 4.02Å; M15-R79 HydrophobicContact SD-CG 4.16Å; R79-M85 VanDerWaalsContact O-CA 3.31Å; R79-M85 WeakPolarHBondContact O-CA 3.45Å; R79-D86 IonicContact CZ-OD1 2.85Å; R79-D86 IonicContact CZ-OD2 3.82Å; R79-D86 IonicContact NE-OD1 3.45Å; R79-D86 PolarHBondContact NE-OD1 2.81Å; R79-D86 IonicContact NE-OD2 3.04Å; R79-D86 IonicContact NH2-OD1 2.76Å; R79-D86 PolarHBondContact NH2-OD1 3.02Å; R79-D86 IonicContact NH2-OD2 3.35Å; R79-D86 PolarHBondContact NH2-OD2 3.49Å; R79-D86 PolarHBondContact O-N 3.45Å; R79-Y87 PolarHBondContact N-O 3.07Å
80N93.4Very high94.3Very high25 Ų2569.1 Ų69.113%0.13432%0.317CS..EExtended strand (participates in β ladder)trans-99.1122.2166.8-54.6-40.9000110.3W14 S16 E31 A84 M85W14-N80 HydrophobicContact CB-CB 3.95Å; W14-N80 PolarHBondContact O-N 3.4Å; S16-N80 VanDerWaalsContact OG-CG 3.29Å; S16-N80 PolarHBondContact OG-ND2 3.07Å; S16-N80 PolarHBondContact OG-OD1 2.62Å; E31-N80 PolarHBondContact OE2-ND2 2.76Å; N80-A84 CarbonylContact C-O 3.48Å; N80-A84 WeakPolarHBondContact CA-O 3.23Å; N80-M85 WeakPolarHBondContact OD1-CG 3.14Å
81Y88.8Confident94.4Very high91 Ų9165.2 Ų65.236%0.35731%0.307SS..EExtended strand (participates in β ladder)trans-133.8125.9173.4-176.2-118.1000110.6Y13 Y83 A84 D86Y13-Y81 AromaticContact CD1-CD2 3.87Å; Y13-Y81 HydrophobicContact CD1-CD2 3.87Å; Y13-Y81 AromaticContact CE1-CD2 3.38Å; Y13-Y81 HydrophobicContact CE1-CD2 3.38Å; Y13-Y81 AromaticContact CE1-CE2 3.8Å; Y13-Y81 HydrophobicContact CE1-CE2 3.8Å; Y13-Y81 HydrophobicContact CE1-CG 4.21Å; Y81-Y83 VanDerWaalsContact C-N 3.28Å; Y81-Y83 PolarHBondContact O-N 3.2Å; Y81-A84 PolarHBondContact N-O 2.95Å; Y81-A84 PolarHBondContact O-N 3.26Å; Y81-D86 WeakPolarHBondContact CB-OD2 3.28Å
82R83.9Confident94.5Very high198 Ų19868.1 Ų68.175%0.74733%0.325SS*.THydrogen-bonded Turntrans46.447.6179.7-61.4-176178.3-158.4-2.1113.5A84R82-A84 PolarHBondContact O-N 3.12Å
83Y79.8Confident94.6Very high245 Ų24570.3 Ų70.396%0.96134%0.342SS*.THydrogen-bonded Turntrans68.711-179.7-42.5-77.9000115.8Y81Y81-Y83 VanDerWaalsContact C-N 3.28Å; Y81-Y83 PolarHBondContact O-N 3.2Å
84A88.9Confident94.5Very high50 Ų5071.5 Ų71.541%0.41335%0.348SS..EExtended strand (participates in β ladder)trans-116.6147.3173.600000111.5N80 Y81 R82 D86N80-A84 CarbonylContact C-O 3.48Å; N80-A84 WeakPolarHBondContact CA-O 3.23Å; Y81-A84 PolarHBondContact N-O 2.95Å; Y81-A84 PolarHBondContact O-N 3.26Å; R82-A84 PolarHBondContact O-N 3.12Å; A84-D86 PolarHBondContact O-N 2.8Å
85M92.9Very high94.5Very high65 Ų6573.5 Ų73.532%0.3236%0.364SS..EExtended strand (participates in β ladder)trans-89.389.3164.7-71.5173.7-162.900108.6V18 W28 A78 R79 N80 W88V18-M85 HydrophobicContact CG2-CE 4.32Å; V18-M85 HydrophobicContact CG2-SD 3.93Å; W28-M85 VanDerWaalsContact CD1-CE 3.42Å; W28-M85 HydrophobicContact CG-CE 4.39Å; A78-M85 HydrophobicContact CB-CB 4.23Å; A78-M85 HydrophobicContact CB-CG 4.19Å; A78-M85 HydrophobicContact CB-SD 4.27Å; R79-M85 VanDerWaalsContact O-CA 3.31Å; R79-M85 WeakPolarHBondContact O-CA 3.45Å; N80-M85 WeakPolarHBondContact OD1-CG 3.14Å; M85-W88 HydrophobicContact CB-CZ2 3.51Å; M85-W88 HydrophobicContact CG-CZ2 4.14Å; M85-W88 PolarHBondContact O-NE1 3.17Å; M85-W88 HydrophobicContact SD-CH2 3.7Å; M85-W88 HydrophobicContact SD-CZ2 3.56Å; M85-W88 VanDerWaalsContact SD-CZ2 3.56Å
86D92.9Very high94.3Very high71 Ų7174.8 Ų74.838%0.3837%0.371SS..EExtended strand (participates in β ladder)trans-99-9.4-169.166.1-14.1000113.9R79 Y81 A84R79-D86 IonicContact CZ-OD1 2.85Å; R79-D86 IonicContact CZ-OD2 3.82Å; R79-D86 IonicContact NE-OD1 3.45Å; R79-D86 PolarHBondContact NE-OD1 2.81Å; R79-D86 IonicContact NE-OD2 3.04Å; R79-D86 IonicContact NH2-OD1 2.76Å; R79-D86 PolarHBondContact NH2-OD1 3.02Å; R79-D86 IonicContact NH2-OD2 3.35Å; R79-D86 PolarHBondContact NH2-OD2 3.49Å; R79-D86 PolarHBondContact O-N 3.45Å; Y81-D86 WeakPolarHBondContact CB-OD2 3.28Å; A84-D86 PolarHBondContact O-N 2.8Å
87Y94.8Very high93.9Very high104 Ų10478.1 Ų78.141%0.40840%0.4SS..EExtended strand (participates in β ladder)trans-134.1126.6175.2-161.5-86.8000110.5S6 F8 A78 R79S6-Y87 PolarHBondContact O-OH 3.46Å; F8-Y87 HydrophobicContact CD1-CD1 4.44Å; F8-Y87 HydrophobicContact CD1-CG 4.49Å; F8-Y87 AromaticContact CE1-CD1 3.72Å; F8-Y87 HydrophobicContact CE1-CD1 3.72Å; F8-Y87 AromaticContact CE1-CE1 3.92Å; F8-Y87 HydrophobicContact CE1-CE1 3.92Å; F8-Y87 HydrophobicContact CE1-CG 4.12Å; A78-Y87 CarbonylContact C-O 3.39Å; A78-Y87 WeakPolarHBondContact CA-O 3.29Å; A78-Y87 WeakPolarHBondContact CB-O 3.34Å; R79-Y87 PolarHBondContact N-O 3.07Å
88W97.1Very high93Very high90 Ų9085.9 Ų85.934%0.34146%0.455SS..EExtended strand (participates in β ladder)trans-124.8140.4-174.8-69.277000111.5V18 L26 Y76 A78 M85V18-W88 HydrophobicContact CB-CH2 4.11Å; V18-W88 HydrophobicContact CB-CZ3 3.79Å; V18-W88 HydrophobicContact CG1-CH2 4.03Å; V18-W88 HydrophobicContact CG1-CZ3 3.96Å; V18-W88 HydrophobicContact CG2-CH2 3.78Å; V18-W88 HydrophobicContact CG2-CZ3 3.84Å; L26-W88 HydrophobicContact CD1-CH2 4.12Å; Y76-W88 HydrophobicContact CG-CE3 4.3Å; Y76-W88 HydrophobicContact CG-CZ3 4.43Å; A78-W88 HydrophobicContact CB-CD2 3.85Å; A78-W88 HydrophobicContact CB-CE3 3.96Å; A78-W88 HydrophobicContact CB-CG 4.32Å; A78-W88 HydrophobicContact CB-CH2 4.45Å; A78-W88 HydrophobicContact CB-CZ2 4.35Å; A78-W88 HydrophobicContact CB-CZ3 4.26Å; M85-W88 HydrophobicContact CB-CZ2 3.51Å; M85-W88 HydrophobicContact CG-CZ2 4.14Å; M85-W88 PolarHBondContact O-NE1 3.17Å; M85-W88 HydrophobicContact SD-CH2 3.7Å; M85-W88 HydrophobicContact SD-CZ2 3.56Å; M85-W88 VanDerWaalsContact SD-CZ2 3.56Å
89G96.9Very high92.7Very high24 Ų2490.2 Ų90.225%0.24748%0.477CS..  trans-70.616116400000111.3C77 G91C77-G89 PolarHBondContact O-N 2.59Å; G89-G91 PolarHBondContact O-N 2.74Å; G89-G91 VanDerWaalsContact O-N 3.1Å
90Q96.3Very high92.5Very high187 Ų18793.1 Ų93.187%0.87450%0.495SS*.  trans-65.4-13.6179.9-64.4-61.4-40.600114
91G97.1Very high92.4Very high31 Ų3196.8 Ų96.832%0.3252%0.515SS..  trans87.5157.7-175.900000112.8Y75 G89Y75-G91 CarbonylContact O-C 3.6Å; Y75-G91 VanDerWaalsContact O-CA 3.22Å; Y75-G91 WeakPolarHBondContact O-CA 3.42Å; G89-G91 PolarHBondContact O-N 2.74Å; G89-G91 VanDerWaalsContact O-N 3.1Å
92T98.1Very high92.6Very high62 Ų6297.2 Ų97.238%0.3853%0.525SS..EExtended strand (participates in β ladder)trans-137.4133.5173-172.30000110.1L1 L74 Y75L1-T92 HydrophobicContact CD1-CG2 3.72Å; L1-T92 HydrophobicContact CD2-CG2 3.87Å; L1-T92 HydrophobicContact CG-CG2 4.33Å; L74-T92 CarbonylContact C-O 3.46Å; L74-T92 WeakPolarHBondContact CA-O 3.21Å; Y75-T92 PolarHBondContact N-O 3.18Å; Y75-T92 PolarHBondContact O-N 2.95Å
93S97.9Very high93.2Very high80 Ų8090.9 Ų90.956%0.55951%0.511SS*.EExtended strand (participates in β ladder)trans-80.9125.3178.8-173.60000109.5
94V97.8Very high94.1Very high28 Ų2880.6 Ų80.617%0.1748%0.481CS..EExtended strand (participates in β ladder)trans-117120.9170.9-178.10000107.8L1 M64 T72 A73 Y75 V96L1-V94 HydrophobicContact CD1-CG2 4.06Å; L1-V94 HydrophobicContact CD2-CG2 3.93Å; L1-V94 HydrophobicContact CG-CG2 4.48Å; M64-V94 HydrophobicContact CE-CG1 4.11Å; M64-V94 HydrophobicContact CE-CG2 4.48Å; T72-V94 WeakPolarHBondContact CA-O 3.25Å; A73-V94 PolarHBondContact N-O 3.01Å; A73-V94 VanDerWaalsContact N-O 3.07Å; A73-V94 PolarHBondContact O-N 2.95Å; Y75-V94 HydrophobicContact CD2-CB 3.85Å; Y75-V94 HydrophobicContact CD2-CG2 3.71Å; Y75-V94 HydrophobicContact CE2-CB 3.78Å; Y75-V94 HydrophobicContact CE2-CG2 4.07Å; Y75-V94 HydrophobicContact CG-CG2 4.47Å; V94-V96 HydrophobicContact CG1-CG2 4.26Å
95T97.1Very high94.4Very high109 Ų10982.8 Ų82.867%0.66949%0.485SS*.  trans-109.6127175.3-55.60000108.9T72T72-T95 HydrophobicContact CG2-CG2 4.27Å
96V94.8Very high94.6Very high28 Ų2884.2 Ų84.217%0.1750%0.498CS..  trans-115.1116.9177.5-174.80000107.5V67 R68 S69 T72 V94V67-V96 HydrophobicContact CB-CG2 4.27Å; V67-V96 HydrophobicContact CG2-CG1 4.35Å; V67-V96 HydrophobicContact CG2-CG2 4.15Å; R68-V96 WeakPolarHBondContact O-CB 3.24Å; S69-V96 WeakPolarHBondContact CA-O 3.44Å; T72-V96 PolarHBondContact OG1-N 3.47Å; T72-V96 PolarHBondContact OG1-O 3.01Å; V94-V96 HydrophobicContact CG1-CG2 4.26Å
97S90.6Very high94.7Very high106 Ų10685.3 Ų85.374%0.74151%0.508SS*.  trans-92.615417355.90000110.9
98S78.1Confident94.7Very high174 Ų17483.5 Ų83.5100%1.21752%0.517SS*.  trans-720171.456.40000112.8

Retrieved 98 of 98 residues in 37.4 ms (Link to these results)

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