X5J5C1_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5C1, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 102 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
1I96.6Very high92.1Very high59 Ų5960.7 Ų60.730%0.30340%0.396SS..  0134.80-48.1-173.4000108W17 Y61 M62 L64 Y75 T92 V94I1-W17 HydrophobicContact CB-CH2 4.24Å; I1-W17 HydrophobicContact CB-CZ3 3.99Å; I1-W17 HydrophobicContact CG2-CH2 4.01Å; I1-W17 HydrophobicContact CG2-CZ3 3.61Å; I1-Y61 CarbonylContact O-C 3.53Å; I1-Y61 VanDerWaalsContact O-CA 3.3Å; I1-Y61 WeakPolarHBondContact O-CA 3.49Å; I1-M62 HydrophobicContact CD1-CE 3.7Å; I1-M62 HydrophobicContact CG1-CE 4.4Å; I1-M62 PolarHBondContact N-O 2.99Å; I1-M62 PolarHBondContact O-N 2.83Å; I1-L64 HydrophobicContact CD1-CD1 4.2Å; I1-Y75 HydrophobicContact CD1-CD1 4.13Å; I1-Y75 HydrophobicContact CD1-CD2 4.18Å; I1-Y75 HydrophobicContact CD1-CG 3.69Å; I1-T92 HydrophobicContact CD1-CG2 4.49Å; I1-V94 HydrophobicContact CD1-CG2 3.89Å
2S97.4Very high92.1Very high80 Ų8060.8 Ų60.856%0.55940%0.399SS*.EExtended strand (participates in β ladder)trans-116150.217656.60000110.5A60S2-A60 CarbonylContact C-O 3.57Å; S2-A60 WeakPolarHBondContact CA-O 3.21Å
3C96.1Very high91.9Very high15 Ų1562.7 Ų62.710%0.10139%0.394CS..EExtended strand (participates in β ladder)trans-140.5110.3177.6177.30000109.4W17 T59 A60 C77C3-W17 HydrophobicContact CB-CH2 3.65Å; C3-W17 HydrophobicContact CB-CZ2 4.02Å; C3-W17 HydrophobicContact CB-CZ3 4.4Å; C3-T59 CarbonylContact O-C 3.6Å; C3-T59 WeakPolarHBondContact O-CA 3.26Å; C3-A60 PolarHBondContact N-O 2.97Å; C3-A60 PolarHBondContact O-N 2.99Å; C3-C77 HydrophobicContact CB-CB 3.5Å; C3-C77 WeakPolarHBondContact CB-SG 3.41Å; C3-C77 WeakPolarHBondContact SG-CB 3.29Å; C3-C77 CovalentContact SG-SG 2.02Å; C3-C77 PolarHBondContact SG-SG 2.79Å
4K95.4Very high92.1Very high158 Ų15862.6 Ų62.669%0.68738%0.383SS*.EExtended strand (participates in β ladder)trans-88.8121.3177.9-173.4172.6-177.4176.90110S57K4-S57 WeakPolarHBondContact CE-O 3.42Å
5A92.1Very high92.3Very high10 Ų1058.6 Ų58.68%0.08336%0.358CS..  trans-75.3148174.900000111.3Y8 F10 M15 S58A5-Y8 HydrophobicContact CB-CE1 4.03Å; A5-Y8 HydrophobicContact CB-CE2 4.06Å; A5-Y8 VanDerWaalsContact CB-OH 3.26Å; A5-Y8 WeakPolarHBondContact CB-OH 3.46Å; A5-F10 HydrophobicContact CB-CB 4.03Å; A5-F10 HydrophobicContact CB-CD2 3.37Å; A5-F10 HydrophobicContact CB-CE2 4.1Å; A5-F10 HydrophobicContact CB-CG 3.98Å; A5-M15 HydrophobicContact CB-CE 4.27Å; A5-S58 PolarHBondContact N-O 2.99Å
6S88.5Confident92.4Very high97 Ų9756.3 Ų56.368%0.67834%0.342SS*.  trans-150.6152.1173.660.70000109.7Y8S6-Y8 VanDerWaalsContact C-N 3.34Å; S6-Y8 WeakPolarHBondContact O-CD1 3.32Å; S6-Y8 PolarHBondContact O-N 3.26Å
7G86Confident92.7Very high89 Ų8953.1 Ų53.192%0.91832%0.323SS*.SBendtrans80.85.1177.300000115.8
8Y85.2Confident92.9Very high47 Ų4750.7 Ų50.718%0.18431%0.308CS..SBendtrans-157.3167.317663.2-88.7000113A5 S6 F10 Y13 M15 P79 Y81A5-Y8 HydrophobicContact CB-CE1 4.03Å; A5-Y8 HydrophobicContact CB-CE2 4.06Å; A5-Y8 VanDerWaalsContact CB-OH 3.26Å; A5-Y8 WeakPolarHBondContact CB-OH 3.46Å; S6-Y8 VanDerWaalsContact C-N 3.34Å; S6-Y8 WeakPolarHBondContact O-CD1 3.32Å; S6-Y8 PolarHBondContact O-N 3.26Å; Y8-F10 PolarHBondContact O-N 3.24Å; Y8-Y13 AromaticContact CD2-CD2 3.62Å; Y8-Y13 HydrophobicContact CD2-CD2 3.62Å; Y8-Y13 HydrophobicContact CD2-CE2 4.22Å; Y8-Y13 HydrophobicContact CD2-CG 4.29Å; Y8-Y13 HydrophobicContact CE2-CD2 4.26Å; Y8-Y13 HydrophobicContact CG-CD2 4.48Å; Y8-M15 WeakPolarHBondContact OH-CE 3.34Å; Y8-P79 HydrophobicContact CE1-CB 4.12Å; Y8-P79 HydrophobicContact CE1-CG 3.96Å; Y8-P79 HydrophobicContact CE2-CB 4.17Å; Y8-Y81 WeakPolarHBondContact CB-OH 3.37Å; Y8-Y81 HydrophobicContact CD1-CE2 4.44Å; Y8-Y81 WeakPolarHBondContact CD1-OH 3.11Å
9A90.3Very high93.1Very high54 Ų5448.1 Ų48.145%0.44629%0.292SS..  trans-72.693.7175.500000111S11 S12 Y13A9-S11 PolarHBondContact O-N 3.45Å; A9-S11 VanDerWaalsContact O-N 3.11Å; A9-S12 PolarHBondContact O-N 2.81Å; A9-Y13 VanDerWaalsContact O-CD2 3.31Å; A9-Y13 WeakPolarHBondContact O-CD2 3.4Å
10F91.9Very high93.2Very high7 Ų749.2 Ų49.23%0.03129%0.294CS..G310 helixtrans-51.4-37.1-174.6176.2-116.1000114.6A5 Y8 S12 M15 P34 A53 S58 T59 A60A5-F10 HydrophobicContact CB-CB 4.03Å; A5-F10 HydrophobicContact CB-CD2 3.37Å; A5-F10 HydrophobicContact CB-CE2 4.1Å; A5-F10 HydrophobicContact CB-CG 3.98Å; Y8-F10 PolarHBondContact O-N 3.24Å; F10-S12 PolarHBondContact O-N 3.46Å; F10-M15 HydrophobicContact CD2-CE 4.27Å; F10-M15 HydrophobicContact CE2-CE 3.84Å; F10-P34 HydrophobicContact CD1-CB 3.78Å; F10-P34 HydrophobicContact CD1-CG 4.12Å; F10-P34 HydrophobicContact CD2-CG 3.99Å; F10-P34 HydrophobicContact CE1-CB 3.42Å; F10-P34 VanDerWaalsContact CE1-CB 3.42Å; F10-P34 HydrophobicContact CE1-CG 3.71Å; F10-P34 HydrophobicContact CE2-CB 4.23Å; F10-P34 HydrophobicContact CE2-CG 3.55Å; F10-P34 HydrophobicContact CG-CB 4.36Å; F10-P34 HydrophobicContact CG-CG 4.28Å; F10-P34 HydrophobicContact CZ-CB 3.67Å; F10-P34 HydrophobicContact CZ-CG 3.4Å; F10-P34 VanDerWaalsContact CZ-CG 3.4Å; F10-P34 WeakPolarHBondContact O-CG 3.49Å; F10-A53 HydrophobicContact CE1-CB 4.14Å; F10-A53 HydrophobicContact CZ-CB 4Å; F10-S58 VanDerWaalsContact CD1-CA 3.46Å; F10-T59 VanDerWaalsContact CZ-C 3.49Å; F10-A60 HydrophobicContact CE2-CB 4.11Å; F10-A60 HydrophobicContact CZ-CB 3.93Å
11S93.9Very high93.3Very high52 Ų5249.9 Ų49.936%0.36429%0.291SS..G310 helixtrans-73.9-4.3179.952.10000115.1A9 Y33 G35A9-S11 PolarHBondContact O-N 3.45Å; A9-S11 VanDerWaalsContact O-N 3.11Å; S11-Y33 PolarHBondContact O-OH 3.37Å; S11-G35 VanDerWaalsContact O-CA 3.23Å; S11-G35 WeakPolarHBondContact O-CA 3.48Å; S11-G35 PolarHBondContact O-N 2.74Å
12S91.6Very high93.1Very high62 Ų6252.7 Ų52.743%0.43431%0.313SS..G310 helixtrans-109.31.3-176.5-55.90000114A9 F10A9-S12 PolarHBondContact O-N 2.81Å; F10-S12 PolarHBondContact O-N 3.46Å
13Y90.3Very high92.9Very high85 Ų8553 Ų5333%0.33333%0.329SS..SBendtrans-135.6145.4-177.8-62.4-89000111.6Y8 A9 P34 Y81Y8-Y13 AromaticContact CD2-CD2 3.62Å; Y8-Y13 HydrophobicContact CD2-CD2 3.62Å; Y8-Y13 HydrophobicContact CD2-CE2 4.22Å; Y8-Y13 HydrophobicContact CD2-CG 4.29Å; Y8-Y13 HydrophobicContact CE2-CD2 4.26Å; Y8-Y13 HydrophobicContact CG-CD2 4.48Å; A9-Y13 VanDerWaalsContact O-CD2 3.31Å; A9-Y13 WeakPolarHBondContact O-CD2 3.4Å; Y13-P34 WeakPolarHBondContact O-CD 3.12Å; Y13-Y81 HydrophobicContact CD1-CD1 4.41Å; Y13-Y81 AromaticContact CD1-CE1 3.97Å; Y13-Y81 HydrophobicContact CD1-CE1 3.97Å; Y13-Y81 HydrophobicContact CE1-CD1 4.05Å; Y13-Y81 AromaticContact CE1-CE1 3.49Å; Y13-Y81 HydrophobicContact CE1-CE1 3.49Å; Y13-Y81 VanDerWaalsContact CE1-CE1 3.49Å; Y13-Y81 AromaticContact CZ-CE1 3.81Å
14W93.9Very high92.8Very high62 Ų6258.8 Ų58.824%0.23535%0.353CS..  trans-66.7137.8169.9-69.688.5000110.6Q31 I32 Y33 D38 P79 H80W14-Q31 HydrophobicContact CD2-CG 4.16Å; W14-Q31 HydrophobicContact CE3-CB 3.96Å; W14-Q31 HydrophobicContact CE3-CG 3.4Å; W14-Q31 VanDerWaalsContact CE3-CG 3.4Å; W14-Q31 HydrophobicContact CZ3-CG 3.83Å; W14-I32 CarbonylContact C-O 3.55Å; W14-I32 WeakPolarHBondContact CA-O 3.43Å; W14-Y33 AromaticContact CD1-CD2 3.8Å; W14-Y33 HydrophobicContact CD2-CD2 4.07Å; W14-Y33 HydrophobicContact CD2-CG 4.29Å; W14-Y33 AromaticContact CE2-CD2 3.98Å; W14-Y33 AromaticContact CG-CD2 3.98Å; W14-Y33 HydrophobicContact CG-CD2 3.98Å; W14-Y33 HydrophobicContact CZ2-CG 4.33Å; W14-Y33 VanDerWaalsContact CZ3-N 3.25Å; W14-Y33 AromaticContact NE1-CD2 3.77Å; W14-D38 HydrophobicContact CH2-CB 3.85Å; W14-D38 WeakPolarHBondContact CH2-OD2 3.33Å; W14-D38 VanDerWaalsContact CZ3-O 3.27Å; W14-D38 WeakPolarHBondContact CZ3-O 3.34Å; W14-P79 CarbonylContact O-C 3.56Å; W14-P79 WeakPolarHBondContact O-CA 3.23Å; W14-H80 HydrophobicContact CB-CB 3.75Å; W14-H80 PolarHBondContact O-N 3.11Å
15M94.7Very high92.7Very high2 Ų253.8 Ų53.81%0.0135%0.346CS..EExtended strand (participates in β ladder)trans-100.2115.2168.3-176.966.971.300109.3A5 Y8 F10 Q31 I32 A60 C77A5-M15 HydrophobicContact CB-CE 4.27Å; Y8-M15 WeakPolarHBondContact OH-CE 3.34Å; F10-M15 HydrophobicContact CD2-CE 4.27Å; F10-M15 HydrophobicContact CE2-CE 3.84Å; M15-Q31 CarbonylContact O-C 3.38Å; M15-Q31 WeakPolarHBondContact O-CA 3.47Å; M15-Q31 WeakPolarHBondContact O-CB 3.21Å; M15-I32 HydrophobicContact CB-CG2 4.09Å; M15-I32 PolarHBondContact N-O 2.82Å; M15-I32 PolarHBondContact O-N 2.82Å; M15-A60 HydrophobicContact CB-CB 4.11Å; M15-A60 HydrophobicContact CE-CB 4.47Å; M15-A60 HydrophobicContact CG-CB 3.69Å; M15-C77 HydrophobicContact CG-CB 4.48Å; M15-C77 HydrophobicContact SD-CB 3.83Å
16N95.3Very high92.8Very high21 Ų2157.9 Ų57.911%0.11237%0.366CS..EExtended strand (participates in β ladder)trans-87.3147175.9-70.2-87.4000111.3W28 Q31 C77 A78 H80N16-W28 PolarHBondContact OD1-NE1 2.93Å; N16-Q31 PolarHBondContact OD1-OE1 2.93Å; N16-C77 CarbonylContact O-C 3.5Å; N16-C77 WeakPolarHBondContact O-CA 3.32Å; N16-A78 WeakPolarHBondContact CA-O 3.4Å; N16-A78 WeakPolarHBondContact CB-O 3.39Å; N16-A78 PolarHBondContact N-O 3.4Å; N16-A78 PolarHBondContact O-N 2.86Å; N16-H80 WeakPolarHBondContact ND2-CB 3.3Å
17W96.9Very high93.1Very high2 Ų255.1 Ų55.11%0.00834%0.343CS..EExtended strand (participates in β ladder)trans-119.4131.4170.7-67.191.8000109.8I1 C3 I29 G30 L51 A60 M62 Y76 C77I1-W17 HydrophobicContact CB-CH2 4.24Å; I1-W17 HydrophobicContact CB-CZ3 3.99Å; I1-W17 HydrophobicContact CG2-CH2 4.01Å; I1-W17 HydrophobicContact CG2-CZ3 3.61Å; C3-W17 HydrophobicContact CB-CH2 3.65Å; C3-W17 HydrophobicContact CB-CZ2 4.02Å; C3-W17 HydrophobicContact CB-CZ3 4.4Å; W17-I29 HydrophobicContact CB-CB 4.21Å; W17-I29 HydrophobicContact CB-CD1 4.44Å; W17-I29 WeakPolarHBondContact O-CB 3.47Å; W17-I29 PolarHBondContact O-N 3.07Å; W17-G30 PolarHBondContact N-O 3.12Å; W17-L51 HydrophobicContact CG-CD2 4.09Å; W17-A60 HydrophobicContact CZ2-CB 4.12Å; W17-M62 HydrophobicContact CB-SD 3.89Å; W17-M62 HydrophobicContact CD2-CB 3.73Å; W17-M62 HydrophobicContact CD2-CE 4.37Å; W17-M62 HydrophobicContact CD2-SD 4.11Å; W17-M62 HydrophobicContact CE3-CB 3.96Å; W17-M62 HydrophobicContact CE3-CE 3.88Å; W17-M62 HydrophobicContact CE3-SD 4.22Å; W17-M62 HydrophobicContact CG-CB 4.27Å; W17-M62 HydrophobicContact CG-SD 3.99Å; W17-M62 HydrophobicContact CH2-CB 4.12Å; W17-M62 HydrophobicContact CZ2-CB 3.92Å; W17-M62 HydrophobicContact CZ3-CB 4.15Å; W17-M62 HydrophobicContact CZ3-CE 4.45Å; W17-Y76 WeakPolarHBondContact CA-O 3.3Å; W17-C77 HydrophobicContact CD2-CB 4.45Å; W17-C77 HydrophobicContact CE3-CB 4.14Å; W17-C77 HydrophobicContact CH2-CB 4.31Å; W17-C77 HydrophobicContact CZ3-CB 4.06Å
18V96.2Very high93.6Very high10 Ų1055 Ų556%0.06132%0.315CS..EExtended strand (participates in β ladder)trans-136.5141.5-174.6-177.10000108.4L26 E27 Y75 Y76 W88V18-L26 HydrophobicContact CG1-CB 3.76Å; V18-L26 HydrophobicContact CG1-CD2 3.84Å; V18-L26 HydrophobicContact CG1-CG 4.26Å; V18-E27 CarbonylContact C-O 3.59Å; V18-E27 WeakPolarHBondContact CA-O 3.22Å; V18-E27 WeakPolarHBondContact CG1-O 3.37Å; V18-Y75 CarbonylContact O-C 3.57Å; V18-Y75 WeakPolarHBondContact O-CA 3.27Å; V18-Y76 PolarHBondContact N-O 3.11Å; V18-Y76 PolarHBondContact O-N 3.17Å; V18-W88 HydrophobicContact CB-CH2 4.22Å; V18-W88 HydrophobicContact CB-CZ3 4Å; V18-W88 HydrophobicContact CG1-CH2 4.25Å; V18-W88 HydrophobicContact CG1-CZ3 4.23Å; V18-W88 HydrophobicContact CG2-CH2 3.91Å; V18-W88 HydrophobicContact CG2-CZ3 4.1Å
19K95.8Very high94.1Very high1 Ų152.8 Ų52.80%0.00431%0.306CS..EExtended strand (participates in β ladder)trans-113.6150.1168.173.7176.5-155.8179.20112E27 I29 F45 D71 A73 V74 Y75K19-E27 HydrophobicContact CG-CB 3.92Å; K19-E27 PolarHBondContact N-O 2.94Å; K19-E27 PolarHBondContact O-N 3.19Å; K19-I29 HydrophobicContact CB-CD1 4.11Å; K19-I29 HydrophobicContact CG-CD1 4.47Å; K19-I29 HydrophobicContact CG-CG1 4.5Å; K19-F45 HydrophobicContact CD-CE1 3.75Å; K19-F45 HydrophobicContact CD-CZ 3.8Å; K19-F45 HydrophobicContact CG-CE1 4.48Å; K19-F45 HydrophobicContact CG-CZ 4.16Å; K19-D71 IonicContact NZ-OD1 3.29Å; K19-D71 PolarHBondContact NZ-OD1 2.87Å; K19-A73 HydrophobicContact CB-CB 4.05Å; K19-A73 HydrophobicContact CD-CB 4.3Å; K19-V74 CarbonylContact C-O 3.52Å; K19-V74 WeakPolarHBondContact CA-O 3.45Å; K19-Y75 HydrophobicContact CB-CD1 3.77Å; K19-Y75 HydrophobicContact CB-CE1 3.7Å; K19-Y75 HydrophobicContact CB-CG 4.32Å; K19-Y75 HydrophobicContact CD-CE1 4.04Å; K19-Y75 HydrophobicContact CG-CE1 4.48Å
20Q96.6Very high94.5Very high70 Ų7050.2 Ų50.233%0.32729%0.285SS..EExtended strand (participates in β ladder)trans-130.3120.2171.8-167.6-179.422.300110K24 L26 A73 V74 Y76Q20-K24 PolarHBondContact NE2-O 2.96Å; Q20-L26 HydrophobicContact CB-CD2 3.87Å; Q20-L26 HydrophobicContact CG-CD2 4.14Å; Q20-A73 WeakPolarHBondContact O-CA 3.39Å; Q20-A73 WeakPolarHBondContact O-CB 3.41Å; Q20-V74 PolarHBondContact N-O 2.96Å; Q20-V74 PolarHBondContact O-N 3.1Å; Q20-Y76 HydrophobicContact CB-CE2 3.83Å
21R95.4Very high94.7Very high64 Ų6451.4 Ų51.424%0.24229%0.29CS..  trans-84.5151.4170.6-64.4175.4176.3132.7-16.9110.1G23 K24 E27 E70 A73R21-G23 PolarHBondContact O-N 3.05Å; R21-K24 HydrophobicContact CB-CB 3.99Å; R21-K24 HydrophobicContact CB-CG 3.91Å; R21-K24 PolarHBondContact O-N 3.02Å; R21-E27 IonicContact CZ-OE1 3.63Å; R21-E27 IonicContact NH1-OE1 2.74Å; R21-E27 PolarHBondContact NH1-OE1 3.5Å; R21-E27 IonicContact NH1-OE2 3.46Å; R21-E27 PolarHBondContact NH1-OE2 2.77Å; R21-E70 VanDerWaalsContact CZ-O 3.26Å; R21-E70 PolarHBondContact NE-O 3.3Å; R21-E70 PolarHBondContact NH2-O 2.02Å; R21-A73 HydrophobicContact CG-CB 4.13Å
22P92.1Very high94.9Very high118 Ų11849.1 Ų49.177%0.76627%0.274SS*.THydrogen-bonded Turntrans-51.8126.8173.8-26.535000112K24P22-K24 PolarHBondContact O-N 3.09Å
23G93.2Very high95.1Very high86 Ų8649.1 Ų49.189%0.88727%0.265SS*.THydrogen-bonded Turntrans68.912.2-179.700000115.5R21R21-G23 PolarHBondContact O-N 3.05Å
24K94Very high95.4Very high137 Ų13745.1 Ų45.160%0.59625%0.25SC*.SBendtrans-118.3162.1176.4-56.7-63-179.4-176.60111.4Q20 R21 P22Q20-K24 PolarHBondContact NE2-O 2.96Å; R21-K24 HydrophobicContact CB-CB 3.99Å; R21-K24 HydrophobicContact CB-CG 3.91Å; R21-K24 PolarHBondContact O-N 3.02Å; P22-K24 PolarHBondContact O-N 3.09Å
25G92.9Very high95.5Very high54 Ų5443.3 Ų43.356%0.55725%0.25SS*.  trans-69.7174173.300000112.9
26L94Very high95.6Very high96 Ų9648.6 Ų48.650%0.50328%0.278SS..EExtended strand (participates in β ladder)trans-70133.1173.8-66.7174000110.7V18 Q20 W88V18-L26 HydrophobicContact CG1-CB 3.76Å; V18-L26 HydrophobicContact CG1-CD2 3.84Å; V18-L26 HydrophobicContact CG1-CG 4.26Å; Q20-L26 HydrophobicContact CB-CD2 3.87Å; Q20-L26 HydrophobicContact CG-CD2 4.14Å; L26-W88 HydrophobicContact CD1-CH2 3.85Å; L26-W88 HydrophobicContact CD1-CZ2 4.44Å; L26-W88 HydrophobicContact CD1-CZ3 4.41Å
27E95.4Very high95.7Very high39 Ų3949.5 Ų49.518%0.18229%0.293CS..EExtended strand (participates in β ladder)trans-114.9112.1175.1-66.9179.8-126.500109.2V18 K19 R21 I29 F45V18-E27 CarbonylContact C-O 3.59Å; V18-E27 WeakPolarHBondContact CA-O 3.22Å; V18-E27 WeakPolarHBondContact CG1-O 3.37Å; K19-E27 HydrophobicContact CG-CB 3.92Å; K19-E27 PolarHBondContact N-O 2.94Å; K19-E27 PolarHBondContact O-N 3.19Å; R21-E27 IonicContact CZ-OE1 3.63Å; R21-E27 IonicContact NH1-OE1 2.74Å; R21-E27 PolarHBondContact NH1-OE1 3.5Å; R21-E27 IonicContact NH1-OE2 3.46Å; R21-E27 PolarHBondContact NH1-OE2 2.77Å; E27-I29 PolarHBondContact O-N 2.86Å; E27-F45 HydrophobicContact CB-CZ 4.46Å
28W95.8Very high95.7Very high86 Ų8653.2 Ų53.233%0.32631%0.313SS..EExtended strand (participates in β ladder)trans-70.5128.7175.6-177.879.4000111N16 G30 Q31 N40 N42N16-W28 PolarHBondContact OD1-NE1 2.93Å; W28-G30 VanDerWaalsContact CZ2-C 3.47Å; W28-G30 VanDerWaalsContact CZ2-CA 3.42Å; W28-G30 PolarHBondContact NE1-O 3.24Å; W28-Q31 HydrophobicContact CZ2-CB 4.11Å; W28-Q31 HydrophobicContact CZ2-CG 3.78Å; W28-N40 HydrophobicContact CH2-CB 4.27Å; W28-N42 HydrophobicContact CE3-CB 3.68Å; W28-N42 HydrophobicContact CZ3-CB 3.87Å; W28-N42 VanDerWaalsContact CZ3-N 3.28Å; W28-N42 WeakPolarHBondContact O-CB 3.39Å; W28-N42 PolarHBondContact O-ND2 2.81Å
29I97.1Very high95.8Very high0 Ų054.9 Ų54.90%032%0.323CS..EExtended strand (participates in β ladder)trans-93.1-48.8-177.9-61174.1000110.1W17 K19 E27 N42 F45 A49 M62 Y75W17-I29 HydrophobicContact CB-CB 4.21Å; W17-I29 HydrophobicContact CB-CD1 4.44Å; W17-I29 WeakPolarHBondContact O-CB 3.47Å; W17-I29 PolarHBondContact O-N 3.07Å; K19-I29 HydrophobicContact CB-CD1 4.11Å; K19-I29 HydrophobicContact CG-CD1 4.47Å; K19-I29 HydrophobicContact CG-CG1 4.5Å; E27-I29 PolarHBondContact O-N 2.86Å; I29-N42 WeakPolarHBondContact O-CB 3.24Å; I29-N42 PolarHBondContact O-N 3.23Å; I29-F45 HydrophobicContact CB-CD1 4.46Å; I29-F45 HydrophobicContact CB-CD2 4.3Å; I29-F45 HydrophobicContact CB-CG 4.17Å; I29-F45 HydrophobicContact CG1-CD1 4.08Å; I29-F45 HydrophobicContact CG1-CD2 4.29Å; I29-F45 HydrophobicContact CG1-CE1 4Å; I29-F45 HydrophobicContact CG1-CE2 4.19Å; I29-F45 HydrophobicContact CG1-CG 4.21Å; I29-F45 HydrophobicContact CG1-CZ 4.05Å; I29-F45 HydrophobicContact CG2-CB 3.69Å; I29-F45 HydrophobicContact CG2-CD1 4Å; I29-F45 HydrophobicContact CG2-CD2 4.35Å; I29-F45 HydrophobicContact CG2-CG 3.76Å; I29-A49 HydrophobicContact CG2-CB 3.82Å; I29-M62 HydrophobicContact CD1-CE 3.9Å; I29-M62 HydrophobicContact CD1-SD 3.78Å; I29-M62 HydrophobicContact CG2-SD 3.93Å; I29-Y75 HydrophobicContact CD1-CD1 3.67Å; I29-Y75 HydrophobicContact CD1-CE1 3.7Å
30G96.9Very high95.8Very high0 Ų058.2 Ų58.20%034%0.341CS..EExtended strand (participates in β ladder)trans168.5179.6-172.400000111.6W17 W28 N40W17-G30 PolarHBondContact N-O 3.12Å; W28-G30 VanDerWaalsContact CZ2-C 3.47Å; W28-G30 VanDerWaalsContact CZ2-CA 3.42Å; W28-G30 PolarHBondContact NE1-O 3.24Å; G30-N40 CarbonylContact C-O 3.58Å; G30-N40 WeakPolarHBondContact CA-O 2.95Å
31Q96.9Very high95.9Very high33 Ų3358 Ų5815%0.15434%0.338CS..EExtended strand (participates in β ladder)trans-146.2155.2175.963.9-173.9-24.600111.6W14 M15 N16 W28 T39 N40W14-Q31 HydrophobicContact CD2-CG 4.16Å; W14-Q31 HydrophobicContact CE3-CB 3.96Å; W14-Q31 HydrophobicContact CE3-CG 3.4Å; W14-Q31 VanDerWaalsContact CE3-CG 3.4Å; W14-Q31 HydrophobicContact CZ3-CG 3.83Å; M15-Q31 CarbonylContact O-C 3.38Å; M15-Q31 WeakPolarHBondContact O-CA 3.47Å; M15-Q31 WeakPolarHBondContact O-CB 3.21Å; N16-Q31 PolarHBondContact OD1-OE1 2.93Å; W28-Q31 HydrophobicContact CZ2-CB 4.11Å; W28-Q31 HydrophobicContact CZ2-CG 3.78Å; Q31-T39 WeakPolarHBondContact O-CA 3.49Å; Q31-N40 HydrophobicContact CG-CB 4.02Å; Q31-N40 PolarHBondContact N-O 2.62Å; Q31-N40 PolarHBondContact O-N 3.29Å
32I97.6Very high95.9Very high4 Ų457.3 Ų57.32%0.02134%0.339CS..EExtended strand (participates in β ladder)trans-125.7137.6174.2-177.8166.3000110W14 M15 P34 D38 T39 L51 T52 A53 A60W14-I32 CarbonylContact C-O 3.55Å; W14-I32 WeakPolarHBondContact CA-O 3.43Å; M15-I32 HydrophobicContact CB-CG2 4.09Å; M15-I32 PolarHBondContact N-O 2.82Å; M15-I32 PolarHBondContact O-N 2.82Å; I32-P34 WeakPolarHBondContact O-CD 3Å; I32-D38 CarbonylContact C-O 3.57Å; I32-D38 VanDerWaalsContact CA-O 3.32Å; I32-D38 WeakPolarHBondContact CA-O 3.38Å; I32-T39 HydrophobicContact CB-CG2 4Å; I32-T39 HydrophobicContact CD1-CG2 3.99Å; I32-T39 HydrophobicContact CG1-CG2 3.83Å; I32-L51 HydrophobicContact CB-CB 4.07Å; I32-L51 HydrophobicContact CB-CD1 4.49Å; I32-L51 HydrophobicContact CD1-CB 4.44Å; I32-L51 HydrophobicContact CG2-CB 4.39Å; I32-T52 VanDerWaalsContact CD1-C 3.43Å; I32-T52 VanDerWaalsContact CD1-CA 3.5Å; I32-A53 HydrophobicContact CD1-CB 3.89Å; I32-A60 HydrophobicContact CG2-CB 4.43Å
33Y96.9Very high95.9Very high61 Ų6154.7 Ų54.724%0.23933%0.333CS..  trans-92.9107.6169-169.1-116.9000108.6S11 W14 G35 D36 G37 D38S11-Y33 PolarHBondContact O-OH 3.37Å; W14-Y33 AromaticContact CD1-CD2 3.8Å; W14-Y33 HydrophobicContact CD2-CD2 4.07Å; W14-Y33 HydrophobicContact CD2-CG 4.29Å; W14-Y33 AromaticContact CE2-CD2 3.98Å; W14-Y33 AromaticContact CG-CD2 3.98Å; W14-Y33 HydrophobicContact CG-CD2 3.98Å; W14-Y33 HydrophobicContact CZ2-CG 4.33Å; W14-Y33 VanDerWaalsContact CZ3-N 3.25Å; W14-Y33 AromaticContact NE1-CD2 3.77Å; Y33-G35 PolarHBondContact O-N 3.44Å; Y33-G35 VanDerWaalsContact O-N 3.11Å; Y33-D36 WeakPolarHBondContact CD1-OD1 3.49Å; Y33-G37 VanDerWaalsContact O-CA 3.29Å; Y33-G37 WeakPolarHBondContact O-CA 3.34Å; Y33-G37 PolarHBondContact O-N 2.88Å; Y33-D38 PolarHBondContact N-O 2.99Å
34P96.4Very high95.8Very high2 Ų258.1 Ų58.11%0.01332%0.323CS..THydrogen-bonded Turntrans-66.9-16.1-174.6-21.335.5000113.6F10 Y13 I32 A53 K55F10-P34 HydrophobicContact CD1-CB 3.78Å; F10-P34 HydrophobicContact CD1-CG 4.12Å; F10-P34 HydrophobicContact CD2-CG 3.99Å; F10-P34 HydrophobicContact CE1-CB 3.42Å; F10-P34 VanDerWaalsContact CE1-CB 3.42Å; F10-P34 HydrophobicContact CE1-CG 3.71Å; F10-P34 HydrophobicContact CE2-CB 4.23Å; F10-P34 HydrophobicContact CE2-CG 3.55Å; F10-P34 HydrophobicContact CG-CB 4.36Å; F10-P34 HydrophobicContact CG-CG 4.28Å; F10-P34 HydrophobicContact CZ-CB 3.67Å; F10-P34 HydrophobicContact CZ-CG 3.4Å; F10-P34 VanDerWaalsContact CZ-CG 3.4Å; F10-P34 WeakPolarHBondContact O-CG 3.49Å; Y13-P34 WeakPolarHBondContact O-CD 3.12Å; I32-P34 WeakPolarHBondContact O-CD 3Å; P34-A53 HydrophobicContact CB-CB 3.84Å; P34-A53 HydrophobicContact CG-CB 4.23Å; P34-K55 VanDerWaalsContact O-CD 3.3Å; P34-K55 WeakPolarHBondContact O-CD 3.44Å; P34-K55 WeakPolarHBondContact O-CE 3.35Å; P34-K55 WeakPolarHBondContact O-CG 3.21Å
35G96Very high95.7Very high24 Ų2452 Ų5225%0.24730%0.297CS..THydrogen-bonded Turntrans-61.1-47.318000000113S11 Y33 K55S11-G35 VanDerWaalsContact O-CA 3.23Å; S11-G35 WeakPolarHBondContact O-CA 3.48Å; S11-G35 PolarHBondContact O-N 2.74Å; Y33-G35 PolarHBondContact O-N 3.44Å; Y33-G35 VanDerWaalsContact O-N 3.11Å; G35-K55 PolarHBondContact O-NZ 2.83Å
36D96.3Very high95.6Very high113 Ų11357.3 Ų57.360%0.60430%0.304SS*.THydrogen-bonded Turntrans-125.1-9.2-178.256.222.1000113.8Y33 D38Y33-D36 WeakPolarHBondContact CD1-OD1 3.49Å; D36-D38 VanDerWaalsContact OD1-CB 3.29Å; D36-D38 WeakPolarHBondContact OD1-CB 3.27Å; D36-D38 PolarHBondContact OD1-N 2.88Å
37G96.6Very high95.4Very high40 Ų4056 Ų5641%0.41231%0.314SS..  trans86.510.8-178.700000114Y33Y33-G37 VanDerWaalsContact O-CA 3.29Å; Y33-G37 WeakPolarHBondContact O-CA 3.34Å; Y33-G37 PolarHBondContact O-N 2.88Å
38D97.5Very high95.3Very high80 Ų8057.3 Ų57.343%0.42832%0.319SS..  trans-61.2143.4176.1-17023.7000111.2W14 I32 Y33 D36W14-D38 HydrophobicContact CH2-CB 3.85Å; W14-D38 WeakPolarHBondContact CH2-OD2 3.33Å; W14-D38 VanDerWaalsContact CZ3-O 3.27Å; W14-D38 WeakPolarHBondContact CZ3-O 3.34Å; I32-D38 CarbonylContact C-O 3.57Å; I32-D38 VanDerWaalsContact CA-O 3.32Å; I32-D38 WeakPolarHBondContact CA-O 3.38Å; Y33-D38 PolarHBondContact N-O 2.99Å; D36-D38 VanDerWaalsContact OD1-CB 3.29Å; D36-D38 WeakPolarHBondContact OD1-CB 3.27Å; D36-D38 PolarHBondContact OD1-N 2.88Å
39T97.9Very high95.3Very high44 Ų4453.3 Ų53.327%0.2731%0.305SS..EExtended strand (participates in β ladder)trans-135.3138.2-174.655.60000112Q31 I32 Y41 L51Q31-T39 WeakPolarHBondContact O-CA 3.49Å; I32-T39 HydrophobicContact CB-CG2 4Å; I32-T39 HydrophobicContact CD1-CG2 3.99Å; I32-T39 HydrophobicContact CG1-CG2 3.83Å; T39-Y41 WeakPolarHBondContact OG1-CE2 3.36Å; T39-L51 HydrophobicContact CG2-CB 4.11Å
40N96.9Very high95.3Very high72 Ų7256.5 Ų56.539%0.38532%0.324SS..EExtended strand (participates in β ladder)trans-125.1138.6173.2-76.9-55.5000109.6W28 G30 Q31W28-N40 HydrophobicContact CH2-CB 4.27Å; G30-N40 CarbonylContact C-O 3.58Å; G30-N40 WeakPolarHBondContact CA-O 2.95Å; Q31-N40 HydrophobicContact CG-CB 4.02Å; Q31-N40 PolarHBondContact N-O 2.62Å; Q31-N40 PolarHBondContact O-N 3.29Å
41Y97.2Very high95.4Very high66 Ų6657 Ų5726%0.25933%0.327SS..EExtended strand (participates in β ladder)trans-125.9147.1-176.7-65-91.2000111.1T39 A49 L51T39-Y41 WeakPolarHBondContact OG1-CE2 3.36Å; Y41-A49 HydrophobicContact CE1-CB 4.34Å; Y41-A49 VanDerWaalsContact CE1-O 3.24Å; Y41-A49 WeakPolarHBondContact CE1-O 3.39Å; Y41-L51 HydrophobicContact CE1-CD1 4Å; Y41-L51 HydrophobicContact CE1-CG 3.71Å; Y41-L51 PolarHBondContact OH-N 2.98Å; Y41-L51 VanDerWaalsContact OH-N 3.08Å
42N95.5Very high95.5Very high49 Ų4958.7 Ų58.726%0.26234%0.34SS..  trans-69.8134.6157.6-179.1-26.4000108.7W28 I29 K44 F45 K46W28-N42 HydrophobicContact CE3-CB 3.68Å; W28-N42 HydrophobicContact CZ3-CB 3.87Å; W28-N42 VanDerWaalsContact CZ3-N 3.28Å; W28-N42 WeakPolarHBondContact O-CB 3.39Å; W28-N42 PolarHBondContact O-ND2 2.81Å; I29-N42 WeakPolarHBondContact O-CB 3.24Å; I29-N42 PolarHBondContact O-N 3.23Å; N42-K44 PolarHBondContact O-N 3.27Å; N42-K44 PolarHBondContact OD1-N 3.21Å; N42-K44 VanDerWaalsContact OD1-N 3.1Å; N42-F45 HydrophobicContact CB-CD2 3.95Å; N42-F45 PolarHBondContact O-N 2.9Å; N42-K46 PolarHBondContact O-N 3.46Å
43G93.7Very high95.5Very high62 Ų6260.2 Ų60.264%0.63935%0.353SS*.THydrogen-bonded Turntrans-52.2-32.1-178.700000114.1F45 K46G43-F45 PolarHBondContact O-N 3.2Å; G43-K46 PolarHBondContact O-N 2.98Å
44K90.7Very high95.5Very high159 Ų15959.9 Ų59.969%0.69136%0.355SS*.THydrogen-bonded Turntrans-64.8-23.6177.1-66.7-175.6-179.9-179.20114.3N42N42-K44 PolarHBondContact O-N 3.27Å; N42-K44 PolarHBondContact OD1-N 3.21Å; N42-K44 VanDerWaalsContact OD1-N 3.1Å
45F92.1Very high95.5Very high9 Ų965.5 Ų65.54%0.03938%0.379CS..THydrogen-bonded Turntrans-112.3-4.6-175-62.2-84.7000113K19 E27 I29 N42 G43 G47 K48 A49K19-F45 HydrophobicContact CD-CE1 3.75Å; K19-F45 HydrophobicContact CD-CZ 3.8Å; K19-F45 HydrophobicContact CG-CE1 4.48Å; K19-F45 HydrophobicContact CG-CZ 4.16Å; E27-F45 HydrophobicContact CB-CZ 4.46Å; I29-F45 HydrophobicContact CB-CD1 4.46Å; I29-F45 HydrophobicContact CB-CD2 4.3Å; I29-F45 HydrophobicContact CB-CG 4.17Å; I29-F45 HydrophobicContact CG1-CD1 4.08Å; I29-F45 HydrophobicContact CG1-CD2 4.29Å; I29-F45 HydrophobicContact CG1-CE1 4Å; I29-F45 HydrophobicContact CG1-CE2 4.19Å; I29-F45 HydrophobicContact CG1-CG 4.21Å; I29-F45 HydrophobicContact CG1-CZ 4.05Å; I29-F45 HydrophobicContact CG2-CB 3.69Å; I29-F45 HydrophobicContact CG2-CD1 4Å; I29-F45 HydrophobicContact CG2-CD2 4.35Å; I29-F45 HydrophobicContact CG2-CG 3.76Å; N42-F45 HydrophobicContact CB-CD2 3.95Å; N42-F45 PolarHBondContact O-N 2.9Å; G43-F45 PolarHBondContact O-N 3.2Å; F45-G47 PolarHBondContact O-N 2.9Å; F45-K48 PolarHBondContact O-N 2.88Å; F45-A49 PolarHBondContact O-N 3.07Å
46K89.8Confident95.4Very high165 Ų16569.6 Ų69.672%0.71740%0.404SS*.BIsolated β-bridgetrans-60.1122.5173.7-165.9172.1-175.2175.90109.1N42 G43 K48N42-K46 PolarHBondContact O-N 3.46Å; G43-K46 PolarHBondContact O-N 2.98Å; K46-K48 VanDerWaalsContact C-N 3.3Å; K46-K48 PolarHBondContact O-N 3.23Å
47G89.6Confident95.4Very high69 Ų6966 Ų6671%0.71139%0.388SS*.THydrogen-bonded Turntrans84.9-11.5-175.900000115.5F45F45-G47 PolarHBondContact O-N 2.9Å
48K93.1Very high95.4Very high65 Ų6566 Ų6628%0.28338%0.381SS..THydrogen-bonded Turntrans-95.8-31.7170-73.9-167.5169.1-161.50112.8F45 K46 L64 S65 D71F45-K48 PolarHBondContact O-N 2.88Å; K46-K48 VanDerWaalsContact C-N 3.3Å; K46-K48 PolarHBondContact O-N 3.23Å; K48-L64 WeakPolarHBondContact O-CA 3.34Å; K48-S65 PolarHBondContact O-N 3.28Å; K48-S65 PolarHBondContact O-OG 3.13Å; K48-D71 IonicContact NZ-OD1 3.6Å; K48-D71 IonicContact NZ-OD2 3.13Å; K48-D71 PolarHBondContact NZ-OD2 2.75Å; K48-D71 VanDerWaalsContact NZ-OD2 3.13Å
49A96.5Very high95.4Very high3 Ų362.7 Ų62.73%0.02536%0.364CS..EExtended strand (participates in β ladder)trans-115.7138.4-179.800000110.8I29 Y41 F45 M62 Q63 L64I29-A49 HydrophobicContact CG2-CB 3.82Å; Y41-A49 HydrophobicContact CE1-CB 4.34Å; Y41-A49 VanDerWaalsContact CE1-O 3.24Å; Y41-A49 WeakPolarHBondContact CE1-O 3.39Å; F45-A49 PolarHBondContact O-N 3.07Å; A49-M62 HydrophobicContact CB-CG 4.29Å; A49-M62 HydrophobicContact CB-SD 4.29Å; A49-Q63 CarbonylContact C-O 3.59Å; A49-Q63 WeakPolarHBondContact CA-O 3.38Å; A49-L64 HydrophobicContact CB-CD2 3.97Å
50T98Very high95.4Very high67 Ų6760.6 Ų60.641%0.41135%0.351SS..EExtended strand (participates in β ladder)trans-119.8122.7168.2-59.50000108.2T52 M62 Q63T50-T52 HydrophobicContact CG2-CG2 4.38Å; T50-M62 WeakPolarHBondContact O-CA 3Å; T50-Q63 PolarHBondContact N-O 2.94Å; T50-Q63 PolarHBondContact O-N 3.05Å
51L98.3Very high95.4Very high9 Ų961.4 Ų61.45%0.04735%0.35CS..EExtended strand (participates in β ladder)trans-101.7133.1179.7-52.2-176.9000110.4W17 I32 T39 Y41 Y61 M62W17-L51 HydrophobicContact CG-CD2 4.09Å; I32-L51 HydrophobicContact CB-CB 4.07Å; I32-L51 HydrophobicContact CB-CD1 4.49Å; I32-L51 HydrophobicContact CD1-CB 4.44Å; I32-L51 HydrophobicContact CG2-CB 4.39Å; T39-L51 HydrophobicContact CG2-CB 4.11Å; Y41-L51 HydrophobicContact CE1-CD1 4Å; Y41-L51 HydrophobicContact CE1-CG 3.71Å; Y41-L51 PolarHBondContact OH-N 2.98Å; Y41-L51 VanDerWaalsContact OH-N 3.08Å; L51-Y61 WeakPolarHBondContact CA-O 2.99Å; L51-M62 HydrophobicContact CD2-CB 3.72Å; L51-M62 HydrophobicContact CD2-CG 3.6Å; L51-M62 HydrophobicContact CD2-SD 4.06Å
52T98.3Very high95.5Very high70 Ų7058.3 Ų58.343%0.42934%0.337SS..EExtended strand (participates in β ladder)trans-139.2165.2174.464.50000110.6I32 T50 A60 Y61I32-T52 VanDerWaalsContact CD1-C 3.43Å; I32-T52 VanDerWaalsContact CD1-CA 3.5Å; T50-T52 HydrophobicContact CG2-CG2 4.38Å; T52-A60 CarbonylContact O-C 3.6Å; T52-Y61 PolarHBondContact N-O 2.8Å; T52-Y61 PolarHBondContact O-N 3.25Å
53A98Very high95.6Very high35 Ų3562.3 Ų62.329%0.28936%0.355SS..EExtended strand (participates in β ladder)trans-145142.9177.900000111.3F10 I32 P34 T59F10-A53 HydrophobicContact CE1-CB 4.14Å; F10-A53 HydrophobicContact CZ-CB 4Å; I32-A53 HydrophobicContact CD1-CB 3.89Å; P34-A53 HydrophobicContact CB-CB 3.84Å; P34-A53 HydrophobicContact CG-CB 4.23Å; A53-T59 WeakPolarHBondContact CA-O 3.44Å
54D97.4Very high95.7Very high55 Ų5561 Ų6129%0.29433%0.333SS..EExtended strand (participates in β ladder)trans-113111.2169.8171.516.5000109S56 S57 S58 T59 Y61D54-S56 VanDerWaalsContact C-N 3.31Å; D54-S56 VanDerWaalsContact CG-OG 3.3Å; D54-S56 PolarHBondContact O-N 3.45Å; D54-S56 WeakPolarHBondContact OD1-CB 2.95Å; D54-S56 PolarHBondContact OD1-N 3.4Å; D54-S56 PolarHBondContact OD1-OG 3.04Å; D54-S56 PolarHBondContact OD2-OG 3.48Å; D54-S57 VanDerWaalsContact CG-OG 3.23Å; D54-S57 VanDerWaalsContact OD2-CB 3.26Å; D54-S57 WeakPolarHBondContact OD2-CB 3.47Å; D54-S57 PolarHBondContact OD2-N 3.08Å; D54-S57 PolarHBondContact OD2-OG 3.01Å; D54-S58 PolarHBondContact O-N 2.85Å; D54-S58 VanDerWaalsContact O-N 3.12Å; D54-T59 PolarHBondContact N-O 2.8Å; D54-T59 PolarHBondContact O-N 2.83Å; D54-Y61 HydrophobicContact CB-CE2 3.99Å
55K95.3Very high95.8Very high120 Ų12055.6 Ų55.652%0.52232%0.315SS..THydrogen-bonded Turntrans-66.7-33.8-178.9-57.5-179-137.4-173.30111.8P34 G35 S58P34-K55 VanDerWaalsContact O-CD 3.3Å; P34-K55 WeakPolarHBondContact O-CD 3.44Å; P34-K55 WeakPolarHBondContact O-CE 3.35Å; P34-K55 WeakPolarHBondContact O-CG 3.21Å; G35-K55 PolarHBondContact O-NZ 2.83Å; K55-S58 PolarHBondContact O-N 3.43Å
56S94.9Very high95.7Very high110 Ų11060.2 Ų60.277%0.76935%0.349SS*.THydrogen-bonded Turntrans-67.5-40.3-174.872.10000111.9D54D54-S56 VanDerWaalsContact C-N 3.31Å; D54-S56 VanDerWaalsContact CG-OG 3.3Å; D54-S56 PolarHBondContact O-N 3.45Å; D54-S56 WeakPolarHBondContact OD1-CB 2.95Å; D54-S56 PolarHBondContact OD1-N 3.4Å; D54-S56 PolarHBondContact OD1-OG 3.04Å; D54-S56 PolarHBondContact OD2-OG 3.48Å
57S96.6Very high95.7Very high37 Ų3755.1 Ų55.126%0.25933%0.329SS..THydrogen-bonded Turntrans-91.6-2.8176.264.90000113.9K4 D54 T59K4-S57 WeakPolarHBondContact CE-O 3.42Å; D54-S57 VanDerWaalsContact CG-OG 3.23Å; D54-S57 VanDerWaalsContact OD2-CB 3.26Å; D54-S57 WeakPolarHBondContact OD2-CB 3.47Å; D54-S57 PolarHBondContact OD2-N 3.08Å; D54-S57 PolarHBondContact OD2-OG 3.01Å; S57-T59 VanDerWaalsContact C-N 3.25Å; S57-T59 PolarHBondContact O-N 3.03Å; S57-T59 PolarHBondContact O-OG1 2.87Å; S57-T59 WeakPolarHBondContact OG-CB 3.2Å; S57-T59 PolarHBondContact OG-OG1 2.77Å; S57-T59 VanDerWaalsContact OG-OG1 3.1Å
58S95.9Very high95.8Very high40 Ų4054.8 Ų54.828%0.2831%0.313SS..THydrogen-bonded Turntrans52.842.2-171-62.10000112.8A5 F10 D54 K55A5-S58 PolarHBondContact N-O 2.99Å; F10-S58 VanDerWaalsContact CD1-CA 3.46Å; D54-S58 PolarHBondContact O-N 2.85Å; D54-S58 VanDerWaalsContact O-N 3.12Å; K55-S58 PolarHBondContact O-N 3.43Å
59T97.5Very high95.8Very high11 Ų1155.4 Ų55.47%0.06733%0.325CS..EExtended strand (participates in β ladder)trans-120.8127.8-174.2-51.70000111C3 F10 A53 D54 S57 Y61C3-T59 CarbonylContact O-C 3.6Å; C3-T59 WeakPolarHBondContact O-CA 3.26Å; F10-T59 VanDerWaalsContact CZ-C 3.49Å; A53-T59 WeakPolarHBondContact CA-O 3.44Å; D54-T59 PolarHBondContact N-O 2.8Å; D54-T59 PolarHBondContact O-N 2.83Å; S57-T59 VanDerWaalsContact C-N 3.25Å; S57-T59 PolarHBondContact O-N 3.03Å; S57-T59 PolarHBondContact O-OG1 2.87Å; S57-T59 WeakPolarHBondContact OG-CB 3.2Å; S57-T59 PolarHBondContact OG-OG1 2.77Å; S57-T59 VanDerWaalsContact OG-OG1 3.1Å; T59-Y61 HydrophobicContact CG2-CD1 4.32Å; T59-Y61 HydrophobicContact CG2-CD2 4.45Å; T59-Y61 HydrophobicContact CG2-CE1 3.69Å; T59-Y61 HydrophobicContact CG2-CE2 3.83Å; T59-Y61 VanDerWaalsContact CG2-CZ 3.41Å; T59-Y61 WeakPolarHBondContact O-CE2 3.31Å
60A97.6Very high95.4Very high0 Ų061.8 Ų61.80%036%0.355CS..EExtended strand (participates in β ladder)trans-95.4150.5167.800000110.1S2 C3 F10 M15 W17 I32 T52S2-A60 CarbonylContact C-O 3.57Å; S2-A60 WeakPolarHBondContact CA-O 3.21Å; C3-A60 PolarHBondContact N-O 2.97Å; C3-A60 PolarHBondContact O-N 2.99Å; F10-A60 HydrophobicContact CE2-CB 4.11Å; F10-A60 HydrophobicContact CZ-CB 3.93Å; M15-A60 HydrophobicContact CB-CB 4.11Å; M15-A60 HydrophobicContact CE-CB 4.47Å; M15-A60 HydrophobicContact CG-CB 3.69Å; W17-A60 HydrophobicContact CZ2-CB 4.12Å; I32-A60 HydrophobicContact CG2-CB 4.43Å; T52-A60 CarbonylContact O-C 3.6Å
61Y98.3Very high95.2Very high88 Ų8858.9 Ų58.935%0.34534%0.337SS..EExtended strand (participates in β ladder)trans-130.3143.6179.2-53.6-92000110.4I1 L51 T52 D54 T59I1-Y61 CarbonylContact O-C 3.53Å; I1-Y61 VanDerWaalsContact O-CA 3.3Å; I1-Y61 WeakPolarHBondContact O-CA 3.49Å; L51-Y61 WeakPolarHBondContact CA-O 2.99Å; T52-Y61 PolarHBondContact N-O 2.8Å; T52-Y61 PolarHBondContact O-N 3.25Å; D54-Y61 HydrophobicContact CB-CE2 3.99Å; T59-Y61 HydrophobicContact CG2-CD1 4.32Å; T59-Y61 HydrophobicContact CG2-CD2 4.45Å; T59-Y61 HydrophobicContact CG2-CE1 3.69Å; T59-Y61 HydrophobicContact CG2-CE2 3.83Å; T59-Y61 VanDerWaalsContact CG2-CZ 3.41Å; T59-Y61 WeakPolarHBondContact O-CE2 3.31Å
62M98.2Very high95Very high1 Ų160 Ų601%0.00535%0.345CS..EExtended strand (participates in β ladder)trans-123116.7166.3179174.470.800108.5I1 W17 I29 A49 T50 L51 L64 Y75I1-M62 HydrophobicContact CD1-CE 3.7Å; I1-M62 HydrophobicContact CG1-CE 4.4Å; I1-M62 PolarHBondContact N-O 2.99Å; I1-M62 PolarHBondContact O-N 2.83Å; W17-M62 HydrophobicContact CB-SD 3.89Å; W17-M62 HydrophobicContact CD2-CB 3.73Å; W17-M62 HydrophobicContact CD2-CE 4.37Å; W17-M62 HydrophobicContact CD2-SD 4.11Å; W17-M62 HydrophobicContact CE3-CB 3.96Å; W17-M62 HydrophobicContact CE3-CE 3.88Å; W17-M62 HydrophobicContact CE3-SD 4.22Å; W17-M62 HydrophobicContact CG-CB 4.27Å; W17-M62 HydrophobicContact CG-SD 3.99Å; W17-M62 HydrophobicContact CH2-CB 4.12Å; W17-M62 HydrophobicContact CZ2-CB 3.92Å; W17-M62 HydrophobicContact CZ3-CB 4.15Å; W17-M62 HydrophobicContact CZ3-CE 4.45Å; I29-M62 HydrophobicContact CD1-CE 3.9Å; I29-M62 HydrophobicContact CD1-SD 3.78Å; I29-M62 HydrophobicContact CG2-SD 3.93Å; A49-M62 HydrophobicContact CB-CG 4.29Å; A49-M62 HydrophobicContact CB-SD 4.29Å; T50-M62 WeakPolarHBondContact O-CA 3Å; L51-M62 HydrophobicContact CD2-CB 3.72Å; L51-M62 HydrophobicContact CD2-CG 3.6Å; L51-M62 HydrophobicContact CD2-SD 4.06Å; M62-L64 HydrophobicContact CE-CD1 3.97Å; M62-L64 HydrophobicContact CE-CD2 4.05Å; M62-L64 HydrophobicContact CE-CG 4.06Å; M62-L64 HydrophobicContact CG-CD2 4.18Å; M62-L64 HydrophobicContact CG-CG 4.3Å; M62-L64 HydrophobicContact SD-CD2 4.01Å; M62-L64 HydrophobicContact SD-CG 4.49Å; M62-Y75 HydrophobicContact CE-CD1 3.48Å; M62-Y75 VanDerWaalsContact CE-CD1 3.48Å; M62-Y75 HydrophobicContact CE-CE1 4.04Å; M62-Y75 HydrophobicContact CE-CG 4.29Å
63Q97.8Very high95Very high133 Ų13356.6 Ų56.662%0.62133%0.325SS*.EExtended strand (participates in β ladder)trans-92131.3167.7-175.4175.66.200108.4A49 T50A49-Q63 CarbonylContact C-O 3.59Å; A49-Q63 WeakPolarHBondContact CA-O 3.38Å; T50-Q63 PolarHBondContact N-O 2.94Å; T50-Q63 PolarHBondContact O-N 3.05Å
64L95.4Very high95Very high35 Ų3556.8 Ų56.818%0.18332%0.322CS..EExtended strand (participates in β ladder)trans-111.2137.2175.2-66.8170.2000108.9I1 K48 A49 M62 L67 Y75I1-L64 HydrophobicContact CD1-CD1 4.2Å; K48-L64 WeakPolarHBondContact O-CA 3.34Å; A49-L64 HydrophobicContact CB-CD2 3.97Å; M62-L64 HydrophobicContact CE-CD1 3.97Å; M62-L64 HydrophobicContact CE-CD2 4.05Å; M62-L64 HydrophobicContact CE-CG 4.06Å; M62-L64 HydrophobicContact CG-CD2 4.18Å; M62-L64 HydrophobicContact CG-CG 4.3Å; M62-L64 HydrophobicContact SD-CD2 4.01Å; M62-L64 HydrophobicContact SD-CG 4.49Å; L64-L67 HydrophobicContact CB-CD1 3.99Å; L64-L67 HydrophobicContact CB-CD2 3.83Å; L64-L67 HydrophobicContact CB-CG 4.07Å; L64-L67 HydrophobicContact CD1-CD1 4.39Å; L64-L67 HydrophobicContact CD1-CD2 4.29Å; L64-L67 HydrophobicContact CG-CD2 4.48Å; L64-Y75 HydrophobicContact CD1-CD1 4.26Å; L64-Y75 HydrophobicContact CD1-CE1 3.7Å; L64-Y75 HydrophobicContact CD1-CE2 4.47Å
65S93.1Very high95Very high46 Ų4654.4 Ų54.432%0.32231%0.309SS..  trans-129.9156179.552.30000111.4K48 L67K48-S65 PolarHBondContact O-N 3.28Å; K48-S65 PolarHBondContact O-OG 3.13Å; S65-L67 VanDerWaalsContact C-N 3.27Å; S65-L67 PolarHBondContact O-N 3.42Å
66S89.9Confident95Very high106 Ų10650.8 Ų50.874%0.74129%0.292SS*.SBendtrans53.544.2177.6-540000112.9
67L90.6Very high95Very high58 Ų5846.2 Ų46.230%0.30426%0.26SS..  trans-70.6143.7-178.1-69.9-176.2000111.8L64 S65 D71 V94 V96L64-L67 HydrophobicContact CB-CD1 3.99Å; L64-L67 HydrophobicContact CB-CD2 3.83Å; L64-L67 HydrophobicContact CB-CG 4.07Å; L64-L67 HydrophobicContact CD1-CD1 4.39Å; L64-L67 HydrophobicContact CD1-CD2 4.29Å; L64-L67 HydrophobicContact CG-CD2 4.48Å; S65-L67 VanDerWaalsContact C-N 3.27Å; S65-L67 PolarHBondContact O-N 3.42Å; L67-D71 HydrophobicContact CD2-CB 3.71Å; L67-V94 HydrophobicContact CD1-CG1 4.43Å; L67-V96 HydrophobicContact CB-CG1 4.21Å; L67-V96 HydrophobicContact CB-CG2 3.92Å; L67-V96 HydrophobicContact CD1-CG2 3.94Å
68T91.8Very high94.8Very high62 Ų6244.7 Ų44.738%0.3825%0.25SS..  trans-117.7170.1174.162.60000110.3E70 D71 V96T68-E70 PolarHBondContact O-N 2.94Å; T68-E70 VanDerWaalsContact O-N 3.17Å; T68-D71 PolarHBondContact N-OD2 2.85Å; T68-D71 WeakPolarHBondContact O-CB 2.99Å; T68-D71 PolarHBondContact O-N 3.45Å; T68-D71 PolarHBondContact OG1-OD2 2.87Å; T68-V96 WeakPolarHBondContact O-CB 3.26Å
69S92.1Very high94.5Very high77 Ų7743.3 Ų43.354%0.53824%0.24SC..G310 helixtrans-56.8-31.1175.8550000112.9D71 S72 V96S69-D71 PolarHBondContact O-N 2.82Å; S69-S72 WeakPolarHBondContact O-CB 3.43Å; S69-S72 PolarHBondContact O-N 2.85Å; S69-S72 VanDerWaalsContact O-N 3.12Å; S69-S72 PolarHBondContact O-OG 3.08Å; S69-V96 WeakPolarHBondContact CA-O 3.39Å
70E89.3Confident93.5Very high138 Ų13847.9 Ų47.965%0.64526%0.261SS*.G310 helixtrans-67-15.2175.2-60.3-172.3173.800114.1R21 T68 S72R21-E70 VanDerWaalsContact CZ-O 3.26Å; R21-E70 PolarHBondContact NE-O 3.3Å; R21-E70 PolarHBondContact NH2-O 2.02Å; T68-E70 PolarHBondContact O-N 2.94Å; T68-E70 VanDerWaalsContact O-N 3.17Å; E70-S72 VanDerWaalsContact C-N 3.31Å
71D92.4Very high92Very high5 Ų550.7 Ų50.73%0.02727%0.271CS..G310 helixtrans-87.6-2.2176.2-63.2-55.3000112.4K19 K48 L67 T68 S69 A73 Y75K19-D71 IonicContact NZ-OD1 3.29Å; K19-D71 PolarHBondContact NZ-OD1 2.87Å; K48-D71 IonicContact NZ-OD1 3.6Å; K48-D71 IonicContact NZ-OD2 3.13Å; K48-D71 PolarHBondContact NZ-OD2 2.75Å; K48-D71 VanDerWaalsContact NZ-OD2 3.13Å; L67-D71 HydrophobicContact CD2-CB 3.71Å; T68-D71 PolarHBondContact N-OD2 2.85Å; T68-D71 WeakPolarHBondContact O-CB 2.99Å; T68-D71 PolarHBondContact O-N 3.45Å; T68-D71 PolarHBondContact OG1-OD2 2.87Å; S69-D71 PolarHBondContact O-N 2.82Å; D71-A73 PolarHBondContact O-N 3.06Å; D71-Y75 PolarHBondContact O-OH 2.95Å
72S95.4Very high90.1Very high32 Ų3252.7 Ų52.722%0.22430%0.298CS..  trans-63.1119.1171.5-57.40000110.9S69 E70 V94 V96S69-S72 WeakPolarHBondContact O-CB 3.43Å; S69-S72 PolarHBondContact O-N 2.85Å; S69-S72 VanDerWaalsContact O-N 3.12Å; S69-S72 PolarHBondContact O-OG 3.08Å; E70-S72 VanDerWaalsContact C-N 3.31Å; S72-V94 VanDerWaalsContact CA-O 3.27Å; S72-V94 WeakPolarHBondContact CA-O 3.36Å; S72-V96 PolarHBondContact OG-N 2.59Å; S72-V96 PolarHBondContact OG-O 2.88Å
73A97.1Very high88.4Confident0 Ų056.7 Ų56.70%032%0.32CS..EExtended strand (participates in β ladder)trans-167.2167.9-17300000110.8K19 Q20 R21 D71 Y75 V94K19-A73 HydrophobicContact CB-CB 4.05Å; K19-A73 HydrophobicContact CD-CB 4.3Å; Q20-A73 WeakPolarHBondContact O-CA 3.39Å; Q20-A73 WeakPolarHBondContact O-CB 3.41Å; R21-A73 HydrophobicContact CG-CB 4.13Å; D71-A73 PolarHBondContact O-N 3.06Å; A73-Y75 HydrophobicContact CB-CD2 4.31Å; A73-Y75 HydrophobicContact CB-CE2 3.79Å; A73-Y75 WeakPolarHBondContact O-CD2 3.32Å; A73-V94 PolarHBondContact N-O 3.47Å; A73-V94 PolarHBondContact O-N 2.82Å
74V98.1Very high86.4Confident39 Ų3954.9 Ų54.924%0.23632%0.319CS..EExtended strand (participates in β ladder)trans-86.5129.3161.3-171.20000108.5K19 Q20 Y76 T92 L93K19-V74 CarbonylContact C-O 3.52Å; K19-V74 WeakPolarHBondContact CA-O 3.45Å; Q20-V74 PolarHBondContact N-O 2.96Å; Q20-V74 PolarHBondContact O-N 3.1Å; V74-Y76 HydrophobicContact CB-CE2 3.77Å; V74-Y76 HydrophobicContact CG1-CD2 4.34Å; V74-Y76 HydrophobicContact CG1-CE1 3.83Å; V74-Y76 HydrophobicContact CG1-CE2 3.62Å; V74-Y76 WeakPolarHBondContact CG1-OH 3.36Å; V74-T92 WeakPolarHBondContact CA-O 3.41Å; V74-L93 HydrophobicContact CG2-CD1 4.12Å
75Y97.8Very high84.7Confident5 Ų561.8 Ų61.82%0.0235%0.348CS..EExtended strand (participates in β ladder)trans-108.3127.5-179.4-70.7-97.5000109.9I1 V18 K19 I29 M62 L64 D71 A73 G91 T92 V94I1-Y75 HydrophobicContact CD1-CD1 4.13Å; I1-Y75 HydrophobicContact CD1-CD2 4.18Å; I1-Y75 HydrophobicContact CD1-CG 3.69Å; V18-Y75 CarbonylContact O-C 3.57Å; V18-Y75 WeakPolarHBondContact O-CA 3.27Å; K19-Y75 HydrophobicContact CB-CD1 3.77Å; K19-Y75 HydrophobicContact CB-CE1 3.7Å; K19-Y75 HydrophobicContact CB-CG 4.32Å; K19-Y75 HydrophobicContact CD-CE1 4.04Å; K19-Y75 HydrophobicContact CG-CE1 4.48Å; I29-Y75 HydrophobicContact CD1-CD1 3.67Å; I29-Y75 HydrophobicContact CD1-CE1 3.7Å; M62-Y75 HydrophobicContact CE-CD1 3.48Å; M62-Y75 VanDerWaalsContact CE-CD1 3.48Å; M62-Y75 HydrophobicContact CE-CE1 4.04Å; M62-Y75 HydrophobicContact CE-CG 4.29Å; L64-Y75 HydrophobicContact CD1-CD1 4.26Å; L64-Y75 HydrophobicContact CD1-CE1 3.7Å; L64-Y75 HydrophobicContact CD1-CE2 4.47Å; D71-Y75 PolarHBondContact O-OH 2.95Å; A73-Y75 HydrophobicContact CB-CD2 4.31Å; A73-Y75 HydrophobicContact CB-CE2 3.79Å; A73-Y75 WeakPolarHBondContact O-CD2 3.32Å; Y75-G91 CarbonylContact O-C 3.52Å; Y75-G91 WeakPolarHBondContact O-CA 3.38Å; Y75-T92 PolarHBondContact N-O 3.49Å; Y75-T92 PolarHBondContact O-N 3.16Å; Y75-V94 HydrophobicContact CD2-CB 3.86Å; Y75-V94 HydrophobicContact CD2-CG2 3.67Å; Y75-V94 HydrophobicContact CE2-CB 3.73Å; Y75-V94 HydrophobicContact CE2-CG2 4Å
76Y96.4Very high83.3Confident43 Ų4360.2 Ų60.217%0.16934%0.338CS..EExtended strand (participates in β ladder)trans-116.1152.3-177.2-56.8-88.5000110.7W17 V18 Q20 V74 W88 G89 G91W17-Y76 WeakPolarHBondContact CA-O 3.3Å; V18-Y76 PolarHBondContact N-O 3.11Å; V18-Y76 PolarHBondContact O-N 3.17Å; Q20-Y76 HydrophobicContact CB-CE2 3.83Å; V74-Y76 HydrophobicContact CB-CE2 3.77Å; V74-Y76 HydrophobicContact CG1-CD2 4.34Å; V74-Y76 HydrophobicContact CG1-CE1 3.83Å; V74-Y76 HydrophobicContact CG1-CE2 3.62Å; V74-Y76 WeakPolarHBondContact CG1-OH 3.36Å; Y76-W88 HydrophobicContact CD1-CE3 4.29Å; Y76-W88 HydrophobicContact CG-CE3 4Å; Y76-W88 HydrophobicContact CG-CZ3 4.16Å; Y76-G89 WeakPolarHBondContact CD1-O 3.5Å; Y76-G91 VanDerWaalsContact CD1-CA 3.43Å
77C94.9Very high82.6Confident14 Ų1463.6 Ų63.610%0.09534%0.336CS..EExtended strand (participates in β ladder)trans-116.2146.6163.860.30000109.6C3 M15 N16 W17 G89C3-C77 HydrophobicContact CB-CB 3.5Å; C3-C77 WeakPolarHBondContact CB-SG 3.41Å; C3-C77 WeakPolarHBondContact SG-CB 3.29Å; C3-C77 CovalentContact SG-SG 2.02Å; C3-C77 PolarHBondContact SG-SG 2.79Å; M15-C77 HydrophobicContact CG-CB 4.48Å; M15-C77 HydrophobicContact SD-CB 3.83Å; N16-C77 CarbonylContact O-C 3.5Å; N16-C77 WeakPolarHBondContact O-CA 3.32Å; W17-C77 HydrophobicContact CD2-CB 4.45Å; W17-C77 HydrophobicContact CE3-CB 4.14Å; W17-C77 HydrophobicContact CH2-CB 4.31Å; W17-C77 HydrophobicContact CZ3-CB 4.06Å; C77-G89 PolarHBondContact O-N 3.26Å
78A91.9Very high82.4Confident6 Ų665.4 Ų65.45%0.0534%0.339CS..EExtended strand (participates in β ladder)trans-149.6136.517500000110.6N16 W88N16-A78 WeakPolarHBondContact CA-O 3.4Å; N16-A78 WeakPolarHBondContact CB-O 3.39Å; N16-A78 PolarHBondContact N-O 3.4Å; N16-A78 PolarHBondContact O-N 2.86Å; A78-W88 HydrophobicContact CB-CD2 3.9Å; A78-W88 HydrophobicContact CB-CE3 4.29Å; A78-W88 HydrophobicContact CB-CG 4.17Å; A78-W88 HydrophobicContact CB-CZ2 4.37Å
79P88.9Confident82.4Confident11 Ų1163.8 Ų63.87%0.07133%0.334CS..EExtended strand (participates in β ladder)trans-65.6146168.825-24000110.7Y8 W14 Y81 Y87Y8-P79 HydrophobicContact CE1-CB 4.12Å; Y8-P79 HydrophobicContact CE1-CG 3.96Å; Y8-P79 HydrophobicContact CE2-CB 4.17Å; W14-P79 CarbonylContact O-C 3.56Å; W14-P79 WeakPolarHBondContact O-CA 3.23Å; P79-Y81 HydrophobicContact CB-CD2 3.8Å; P79-Y81 HydrophobicContact CB-CE2 3.54Å; P79-Y81 HydrophobicContact CG-CD2 3.61Å; P79-Y81 HydrophobicContact CG-CE2 3.41Å; P79-Y81 VanDerWaalsContact CG-CE2 3.41Å; P79-Y81 PolarHBondContact O-N 2.78Å; P79-Y87 WeakPolarHBondContact CD-O 3.29Å
80H75.9Confident82.4Confident107 Ų10768.9 Ų68.950%0.49535%0.35SS..  trans-76.389.5171.5-172-86.9000110.2W14 N16W14-H80 HydrophobicContact CB-CB 3.75Å; W14-H80 PolarHBondContact O-N 3.11Å; N16-H80 WeakPolarHBondContact ND2-CB 3.3Å
81Y67.1Low82.7Confident58 Ų5863.6 Ų63.623%0.22733%0.332CS..  trans-98.9151.4161.5-71.8-75.1000109.7Y8 Y13 P79 N83 A86 Y87Y8-Y81 WeakPolarHBondContact CB-OH 3.37Å; Y8-Y81 HydrophobicContact CD1-CE2 4.44Å; Y8-Y81 WeakPolarHBondContact CD1-OH 3.11Å; Y13-Y81 HydrophobicContact CD1-CD1 4.41Å; Y13-Y81 AromaticContact CD1-CE1 3.97Å; Y13-Y81 HydrophobicContact CD1-CE1 3.97Å; Y13-Y81 HydrophobicContact CE1-CD1 4.05Å; Y13-Y81 AromaticContact CE1-CE1 3.49Å; Y13-Y81 HydrophobicContact CE1-CE1 3.49Å; Y13-Y81 VanDerWaalsContact CE1-CE1 3.49Å; Y13-Y81 AromaticContact CZ-CE1 3.81Å; P79-Y81 HydrophobicContact CB-CD2 3.8Å; P79-Y81 HydrophobicContact CB-CE2 3.54Å; P79-Y81 HydrophobicContact CG-CD2 3.61Å; P79-Y81 HydrophobicContact CG-CE2 3.41Å; P79-Y81 VanDerWaalsContact CG-CE2 3.41Å; P79-Y81 PolarHBondContact O-N 2.78Å; Y81-N83 PolarHBondContact O-N 2.81Å; Y81-A86 HydrophobicContact CD2-CB 3.87Å; Y81-A86 HydrophobicContact CG-CB 4.07Å; Y81-Y87 HydrophobicContact CE2-CD2 4.36Å
82S58.5Low82.9Confident130 Ų13066.7 Ų66.791%0.90935%0.351SS*.SBendtrans-57.7-8.9167.747.60000113.5
83N62.7Low83Confident85 Ų8570.9 Ų70.946%0.45537%0.37SS..SBendtrans-103.5112.7174.4-174-7.1000110.8Y81 F85 A86Y81-N83 PolarHBondContact O-N 2.81Å; N83-F85 PolarHBondContact O-N 3.4Å; N83-F85 VanDerWaalsContact O-N 3.09Å; N83-F85 WeakPolarHBondContact OD1-CB 3.45Å; N83-F85 PolarHBondContact OD1-N 2.84Å; N83-A86 HydrophobicContact CB-CB 4.02Å; N83-A86 WeakPolarHBondContact O-CB 3.46Å; N83-A86 PolarHBondContact O-N 3.01Å; N83-A86 VanDerWaalsContact O-N 3.08Å
84P55.8Low83Confident95 Ų9572.3 Ų72.362%0.61738%0.379SS*.THydrogen-bonded Turntrans-64.9-12.4179.625.9-33.2000114.1W88P84-W88 PolarHBondContact O-NE1 2.74Å
85F58.2Low82.8Confident180 Ų18075.4 Ų75.479%0.78940%0.398SS*.THydrogen-bonded Turntrans-97.81.8177.2-58.3-76000113.8N83 Y87N83-F85 PolarHBondContact O-N 3.4Å; N83-F85 VanDerWaalsContact O-N 3.09Å; N83-F85 WeakPolarHBondContact OD1-CB 3.45Å; N83-F85 PolarHBondContact OD1-N 2.84Å; F85-Y87 PolarHBondContact O-N 3.27Å
86A64.4Low82.6Confident14 Ų1476.6 Ų76.612%0.11641%0.406CS..SBendtrans-85.4110.3-177.800000111.7Y81 N83Y81-A86 HydrophobicContact CD2-CB 3.87Å; Y81-A86 HydrophobicContact CG-CB 4.07Å; N83-A86 HydrophobicContact CB-CB 4.02Å; N83-A86 WeakPolarHBondContact O-CB 3.46Å; N83-A86 PolarHBondContact O-N 3.01Å; N83-A86 VanDerWaalsContact O-N 3.08Å
87Y74.7Confident82.2Confident176 Ų17679.4 Ų79.469%0.6943%0.432SS*.  trans56.276.1161.1-53.8-76.7000117P79 Y81 F85P79-Y87 WeakPolarHBondContact CD-O 3.29Å; Y81-Y87 HydrophobicContact CE2-CD2 4.36Å; F85-Y87 PolarHBondContact O-N 3.27Å
88W88Confident81.5Confident97 Ų9783 Ų8337%0.36746%0.462SS..  trans-86.7142.9166.5-71.864.5000111.1V18 L26 Y76 A78 P84V18-W88 HydrophobicContact CB-CH2 4.22Å; V18-W88 HydrophobicContact CB-CZ3 4Å; V18-W88 HydrophobicContact CG1-CH2 4.25Å; V18-W88 HydrophobicContact CG1-CZ3 4.23Å; V18-W88 HydrophobicContact CG2-CH2 3.91Å; V18-W88 HydrophobicContact CG2-CZ3 4.1Å; L26-W88 HydrophobicContact CD1-CH2 3.85Å; L26-W88 HydrophobicContact CD1-CZ2 4.44Å; L26-W88 HydrophobicContact CD1-CZ3 4.41Å; Y76-W88 HydrophobicContact CD1-CE3 4.29Å; Y76-W88 HydrophobicContact CG-CE3 4Å; Y76-W88 HydrophobicContact CG-CZ3 4.16Å; A78-W88 HydrophobicContact CB-CD2 3.9Å; A78-W88 HydrophobicContact CB-CE3 4.29Å; A78-W88 HydrophobicContact CB-CG 4.17Å; A78-W88 HydrophobicContact CB-CZ2 4.37Å; P84-W88 PolarHBondContact O-NE1 2.74Å
89G90.3Very high80.4Confident27 Ų2791.3 Ų91.328%0.27850%0.5SS..  trans-61.3153.3161.400000110.4Y76 C77 G91Y76-G89 WeakPolarHBondContact CD1-O 3.5Å; C77-G89 PolarHBondContact O-N 3.26Å; G89-G91 PolarHBondContact O-N 3.12Å
90Q92.9Very high79Confident185 Ų18595.9 Ų95.986%0.86453%0.533SS*.  trans-61.6-14.9-179.7-66.4-62.2-45.500113.8
91G94.8Very high78Confident27 Ų27100 Ų10028%0.27855%0.552SS.*  trans87.2150.7-176.700000112.1Y75 Y76 G89Y75-G91 CarbonylContact O-C 3.52Å; Y75-G91 WeakPolarHBondContact O-CA 3.38Å; Y76-G91 VanDerWaalsContact CD1-CA 3.43Å; G89-G91 PolarHBondContact O-N 3.12Å
92T97.3Very high77.3Confident70 Ų70106 Ų10643%0.42960%0.603SS.*EExtended strand (participates in β ladder)trans-121.6122.8173.6-94.80000108.3I1 V74 Y75 V94I1-T92 HydrophobicContact CD1-CG2 4.49Å; V74-T92 WeakPolarHBondContact CA-O 3.41Å; Y75-T92 PolarHBondContact N-O 3.49Å; Y75-T92 PolarHBondContact O-N 3.16Å; T92-V94 HydrophobicContact CG2-CG2 3.9Å; T92-V94 PolarHBondContact O-N 3.1Å
93L97.3Very high78.2Confident119 Ų119104.9 Ų104.962%0.62359%0.587SS**EExtended strand (participates in β ladder)trans-70.6124.3169.5178.863.8000109.1V74V74-L93 HydrophobicContact CG2-CD1 4.12Å
94V95.9Very high79Confident31 Ų31105.9 Ų105.919%0.18859%0.594CS.*EExtended strand (participates in β ladder)trans-113.7124.7167.1-179.80000107.4I1 L67 S72 A73 Y75 T92 V96I1-V94 HydrophobicContact CD1-CG2 3.89Å; L67-V94 HydrophobicContact CD1-CG1 4.43Å; S72-V94 VanDerWaalsContact CA-O 3.27Å; S72-V94 WeakPolarHBondContact CA-O 3.36Å; A73-V94 PolarHBondContact N-O 3.47Å; A73-V94 PolarHBondContact O-N 2.82Å; Y75-V94 HydrophobicContact CD2-CB 3.86Å; Y75-V94 HydrophobicContact CD2-CG2 3.67Å; Y75-V94 HydrophobicContact CE2-CB 3.73Å; Y75-V94 HydrophobicContact CE2-CG2 4Å; T92-V94 HydrophobicContact CG2-CG2 3.9Å; T92-V94 PolarHBondContact O-N 3.1Å; V94-V96 HydrophobicContact CG1-CG2 4.3Å
95T95.3Very high80.3Confident103 Ų103106.5 Ų106.563%0.63259%0.593SS**  trans-113.8130176.5-56.70000108.8
96V92.6Very high81.6Confident31 Ų31102.2 Ų102.219%0.18858%0.582CS.*  trans-119.8109177.9-1740000107.2L67 T68 S69 S72 V94L67-V96 HydrophobicContact CB-CG1 4.21Å; L67-V96 HydrophobicContact CB-CG2 3.92Å; L67-V96 HydrophobicContact CD1-CG2 3.94Å; T68-V96 WeakPolarHBondContact O-CB 3.26Å; S69-V96 WeakPolarHBondContact CA-O 3.39Å; S72-V96 PolarHBondContact OG-N 2.59Å; S72-V96 PolarHBondContact OG-O 2.88Å; V94-V96 HydrophobicContact CG1-CG2 4.3Å
97S89Confident82.7Confident102 Ų102107.7 Ų107.771%0.71361%0.611SS**  trans-93.8145.417349.20000109.9E99S97-E99 PolarHBondContact O-N 2.9Å
98A79Confident83.2Confident88 Ų88103.1 Ų103.173%0.72761%0.605SS**  trans-63.6134.5165.600000108.6S100A98-S100 PolarHBondContact O-N 2.66Å
99E68.6Low82.9Confident182 Ų182103.6 Ų103.685%0.8562%0.622SS**  trans-71.2115.1171.9-142.4165.7-157.300107.4S97 Q101S97-E99 PolarHBondContact O-N 2.9Å; E99-Q101 PolarHBondContact O-N 3.47Å
100S61.6Low82.3Confident107 Ų107109.5 Ų109.575%0.74865%0.649SS**  trans-73107.7167.552.60000107.2A98 S102A98-S100 PolarHBondContact O-N 2.66Å; S100-S102 PolarHBondContact O-N 3.18Å
101Q53.7Low81.4Confident194 Ų194103.2 Ų103.291%0.90763%0.631SS**  trans-65.7105.7164-67.8-178.97.200107.1E99E99-Q101 PolarHBondContact O-N 3.47Å
102S52.1Low80.2Confident184 Ų184110.1 Ų110.1100%1.28766%0.663SS**  trans-84.90164.860.60000110S100S100-S102 PolarHBondContact O-N 3.18Å

Retrieved 102 of 102 residues in 30.3 ms (Link to these results)

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