X5J5E2_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5E2, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 109 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
1A77.2Confident93.3Very high117 Ų11775.7 Ų75.797%0.96746%0.46SS*.  0140.5000000108T104A1-T104 CarbonylContact C-O 3.47Å; A1-T104 WeakPolarHBondContact CA-O 3.39Å
2E87.3Confident93.5Very high72 Ų7270 Ų7034%0.33643%0.425SS..EExtended strand (participates in β ladder)trans-126.2129.3-175.2-168.1174162.600109.9V4 V10 T104 L105 T106E2-V4 HydrophobicContact CG-CG1 3.94Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.39Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.09Å; E2-T104 PolarHBondContact N-O 3.06Å; E2-L105 HydrophobicContact CB-CD1 4.13Å; E2-L105 HydrophobicContact CG-CD1 4.41Å; E2-L105 CarbonylContact O-C 3.51Å; E2-L105 WeakPolarHBondContact O-CA 3.2Å; E2-T106 PolarHBondContact O-N 3.17Å
3L93.5Very high93.5Very high122 Ų12270.6 Ų70.664%0.63943%0.434SS*.EExtended strand (participates in β ladder)trans-110.9120.2179-178.766.8000108.7T106 S108L3-T106 WeakPolarHBondContact CA-O 2.86Å; L3-T106 HydrophobicContact CD1-CG2 3.69Å; L3-S108 WeakPolarHBondContact CD1-OG 3.41Å
4V95.4Very high93.4Very high22 Ų2266.4 Ų66.413%0.13341%0.409CS..EExtended strand (participates in β ladder)trans-134.9157.3-175.7-62.10000111.6E2 A8 L78 L105 T106 V107 S108E2-V4 HydrophobicContact CG-CG1 3.94Å; V4-A8 HydrophobicContact CB-CB 4.33Å; V4-L78 HydrophobicContact CG2-CD1 3.5Å; V4-L78 VanDerWaalsContact CG2-CD1 3.5Å; V4-L105 HydrophobicContact CG1-CD1 4.47Å; V4-L105 HydrophobicContact CG2-CD1 3.83Å; V4-T106 PolarHBondContact N-O 3.2Å; V4-V107 HydrophobicContact CG2-CB 4.43Å; V4-V107 HydrophobicContact CG2-CG1 4.43Å; V4-V107 HydrophobicContact CG2-CG2 3.87Å; V4-V107 VanDerWaalsContact O-CA 3.31Å; V4-V107 WeakPolarHBondContact O-CA 3.29Å; V4-S108 PolarHBondContact O-N 2.75Å
5K95.4Very high93.1Very high144 Ų14471.8 Ų71.863%0.62642%0.424SS*.  trans-82151.7175.8-65.7-175.6178.1-176.20111.1A8K5-A8 WeakPolarHBondContact O-CB 3.4Å; K5-A8 PolarHBondContact O-N 3.37Å
6P96.8Very high92.4Very high75 Ų7568.2 Ų68.249%0.48741%0.405SS..THydrogen-bonded Turntrans-52.6142.5169.3-24.933.7000112.1A8 L78 V107P6-A8 VanDerWaalsContact C-N 3.28Å; P6-A8 PolarHBondContact O-N 3.1Å; P6-L78 CarbonylContact C-O 3.46Å; P6-L78 WeakPolarHBondContact CA-O 3.27Å; P6-V107 HydrophobicContact CB-CG1 4.41Å; P6-V107 HydrophobicContact CG-CG1 4.15Å
7G95.2Very high91.4Very high56 Ų5675.1 Ų75.158%0.57743%0.429SS*.THydrogen-bonded Turntrans85.5-14.8-177.200000114.9L78G7-L78 PolarHBondContact N-O 2.82Å
8A96.1Very high90.1Very high34 Ų3475.2 Ų75.228%0.28145%0.449SS..  trans-68170.6176.500000112.5V4 K5 P6 R77 L78V4-A8 HydrophobicContact CB-CB 4.33Å; K5-A8 WeakPolarHBondContact O-CB 3.4Å; K5-A8 PolarHBondContact O-N 3.37Å; P6-A8 VanDerWaalsContact C-N 3.28Å; P6-A8 PolarHBondContact O-N 3.1Å; A8-R77 PolarHBondContact O-N 3.35Å; A8-L78 WeakPolarHBondContact O-CB 3.35Å; A8-L78 VanDerWaalsContact O-CG 3.3Å; A8-L78 WeakPolarHBondContact O-CG 3.41Å; A8-L78 PolarHBondContact O-N 3.05Å
9S96.6Very high88.9Confident67 Ų6773.6 Ų73.647%0.46944%0.435SS..  trans-120.3147.7169.2-59.40000109.6L75 S76S9-L75 CarbonylContact C-O 3.58Å; S9-L75 WeakPolarHBondContact CA-O 3.26Å; S9-L75 WeakPolarHBondContact CB-O 3Å; S9-S76 WeakPolarHBondContact OG-CA 3.42Å
10V96.1Very high88Confident5 Ų574.7 Ų74.73%0.0344%0.442CS..EExtended strand (participates in β ladder)trans-126.7146.3176.8610000110.1E2 M12 E74 L75 L78 L105E2-V10 WeakPolarHBondContact OE1-CG2 3.39Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.09Å; V10-M12 HydrophobicContact CG2-CG 3.97Å; V10-E74 CarbonylContact O-C 3.57Å; V10-E74 VanDerWaalsContact O-CA 3.27Å; V10-E74 WeakPolarHBondContact O-CA 3.3Å; V10-L75 HydrophobicContact CG1-CB 3.89Å; V10-L75 HydrophobicContact CG1-CD1 4.25Å; V10-L75 HydrophobicContact CG1-CG 4.48Å; V10-L75 PolarHBondContact N-O 3.02Å; V10-L75 PolarHBondContact O-N 3.03Å; V10-L78 HydrophobicContact CB-CD1 4.18Å; V10-L78 HydrophobicContact CG1-CD1 3.82Å; V10-L78 HydrophobicContact CG1-CD2 4.38Å; V10-L105 HydrophobicContact CB-CD1 4.44Å; V10-L105 HydrophobicContact CG1-CD1 4.21Å; V10-L105 HydrophobicContact CG1-CD2 3.92Å; V10-L105 HydrophobicContact CG2-CD1 4.4Å
11K96.5Very high87.3Confident119 Ų11971.6 Ų71.652%0.51742%0.423SS..EExtended strand (participates in β ladder)trans-122.2118.3172.2-172.9178.3179.7-177.80110.4Y72 L73K11-Y72 HydrophobicContact CD-CD1 4.4Å; K11-Y72 VanDerWaalsContact CE-CB 3.45Å; K11-Y72 VanDerWaalsContact CE-CD1 3.48Å; K11-Y72 VanDerWaalsContact CE-CG 3.44Å; K11-Y72 HydrophobicContact CG-CD1 4.34Å; K11-L73 WeakPolarHBondContact CA-O 3.43Å
12M95.4Very high87Confident7 Ų770 Ų703%0.03440%0.401CS..EExtended strand (participates in β ladder)trans-107.9146-177.7-47.617674.900108.7V10 W28 Y72 L73 L75 Y86 T103V10-M12 HydrophobicContact CG2-CG 3.97Å; M12-W28 HydrophobicContact CB-CH2 3.76Å; M12-W28 HydrophobicContact CB-CZ2 4.43Å; M12-W28 HydrophobicContact CB-CZ3 4.26Å; M12-Y72 CarbonylContact O-C 3.57Å; M12-Y72 WeakPolarHBondContact O-CA 3.45Å; M12-Y72 WeakPolarHBondContact O-CB 3.24Å; M12-L73 PolarHBondContact N-O 2.83Å; M12-L73 PolarHBondContact O-N 2.95Å; M12-L73 HydrophobicContact SD-CD2 4.36Å; M12-L75 HydrophobicContact SD-CD1 4.5Å; M12-Y86 HydrophobicContact CE-CD2 4.13Å; M12-Y86 HydrophobicContact CE-CG 4Å; M12-Y86 HydrophobicContact SD-CD1 4.43Å; M12-Y86 HydrophobicContact SD-CD2 4.19Å; M12-Y86 HydrophobicContact SD-CG 3.92Å; M12-T103 HydrophobicContact CE-CG2 3.4Å; M12-T103 VanDerWaalsContact CE-CG2 3.4Å
13S94.3Very high86.4Confident78 Ų7869.9 Ų69.955%0.54541%0.406SS..EExtended strand (participates in β ladder)trans-116.1146.9179.663.70000111.4Y72S13-Y72 VanDerWaalsContact CB-CD1 3.47Å; S13-Y72 VanDerWaalsContact CB-CE1 3.45Å
14C91.6Very high85.9Confident12 Ų1268.1 Ų68.18%0.08139%0.391CS..EExtended strand (participates in β ladder)trans-135.4114.5169.2177.70000109.2W28 T70 V71 C88C14-W28 HydrophobicContact CB-CH2 4.1Å; C14-W28 HydrophobicContact CB-CZ2 3.57Å; C14-T70 CarbonylContact O-C 3.54Å; C14-T70 WeakPolarHBondContact O-CA 3.48Å; C14-V71 PolarHBondContact N-O 3.1Å; C14-V71 PolarHBondContact O-N 2.91Å; C14-C88 HydrophobicContact CB-CB 3.35Å; C14-C88 WeakPolarHBondContact CB-SG 3.49Å; C14-C88 WeakPolarHBondContact SG-CB 3.42Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.1Å
15K89.6Confident85.6Confident147 Ų14767.9 Ų67.964%0.63939%0.39SS*.EExtended strand (participates in β ladder)trans-92.1128.5176-174.8173-179.4178.70109.6F17 S68K15-F17 PolarHBondContact O-N 2.92Å; K15-S68 WeakPolarHBondContact CE-O 3.31Å
16A81.9Confident85.3Confident14 Ų1461.1 Ų61.112%0.11636%0.36CS..  trans-59.6133.8171.600000110Y19 F21 I26 S69A16-Y19 HydrophobicContact CB-CE1 4.08Å; A16-Y19 HydrophobicContact CB-CE2 4.19Å; A16-F21 HydrophobicContact CB-CB 4.24Å; A16-F21 HydrophobicContact CB-CD2 3.71Å; A16-F21 HydrophobicContact CB-CG 4.37Å; A16-I26 HydrophobicContact CB-CD1 3.99Å; A16-S69 WeakPolarHBondContact CB-O 3.36Å; A16-S69 PolarHBondContact N-O 3.16Å
17F75.3Confident85.2Confident186 Ų18658.7 Ų58.782%0.81634%0.343SS*.  trans-129.7133179.1-169.3-94.8000110.8K15 Y19K15-F17 PolarHBondContact O-N 2.92Å; F17-Y19 WeakPolarHBondContact O-CD1 3.36Å; F17-Y19 PolarHBondContact O-N 3.03Å
18G68.4Low85.2Confident76 Ų7656.2 Ų56.278%0.78432%0.316SS*.SBendtrans78.312.4172.800000116.2
19Y66.8Low85.2Confident46 Ų4655 Ų5518%0.1831%0.305CS..SBendtrans-154162.4174.764.4-83.1000112.6A16 F17 F21 Y24 I26A16-Y19 HydrophobicContact CB-CE1 4.08Å; A16-Y19 HydrophobicContact CB-CE2 4.19Å; F17-Y19 WeakPolarHBondContact O-CD1 3.36Å; F17-Y19 PolarHBondContact O-N 3.03Å; Y19-F21 PolarHBondContact O-N 3.22Å; Y19-Y24 HydrophobicContact CD2-CD2 4.03Å; Y19-I26 WeakPolarHBondContact OH-CD1 3.44Å; Y19-I26 VanDerWaalsContact OH-CG1 3.3Å; Y19-I26 WeakPolarHBondContact OH-CG1 3.34Å
20T69.8Low85.2Confident94 Ų9452.1 Ų52.158%0.57728%0.284SS*.  trans-68.3113.1173-460000109.4T22 T23T20-T22 HydrophobicContact CG2-CG2 4.46Å; T20-T22 WeakPolarHBondContact CG2-OG1 3.43Å; T20-T22 PolarHBondContact O-N 2.78Å; T20-T23 PolarHBondContact O-N 3.1Å; T20-T23 PolarHBondContact O-OG1 2.69Å
21F74.2Confident85.1Confident10 Ų1055.6 Ų55.64%0.04430%0.3CS..THydrogen-bonded Turntrans-57.7-9.4-179.1-180-110.9000114.3A16 Y19 I26 F43 P45 V64 K66 S69 V71A16-F21 HydrophobicContact CB-CB 4.24Å; A16-F21 HydrophobicContact CB-CD2 3.71Å; A16-F21 HydrophobicContact CB-CG 4.37Å; Y19-F21 PolarHBondContact O-N 3.22Å; F21-I26 HydrophobicContact CD2-CD1 3.99Å; F21-I26 HydrophobicContact CE2-CD1 3.62Å; F21-I26 HydrophobicContact CE2-CG1 4.14Å; F21-F43 HydrophobicContact CE1-CE1 4.1Å; F21-F43 AromaticContact CZ-CD1 3.9Å; F21-F43 HydrophobicContact CZ-CD1 3.9Å; F21-F43 AromaticContact CZ-CE1 3.78Å; F21-F43 HydrophobicContact CZ-CE1 3.78Å; F21-P45 HydrophobicContact CE1-CB 4.31Å; F21-P45 WeakPolarHBondContact O-CB 3.33Å; F21-P45 WeakPolarHBondContact O-CG 3.44Å; F21-V64 HydrophobicContact CE1-CG1 3.72Å; F21-V64 HydrophobicContact CZ-CG1 3.66Å; F21-K66 HydrophobicContact CE1-CG 4.26Å; F21-S69 VanDerWaalsContact CB-OG 3.23Å; F21-S69 WeakPolarHBondContact CB-OG 3.44Å; F21-V71 HydrophobicContact CE2-CG2 3.62Å; F21-V71 HydrophobicContact CZ-CG2 3.63Å
22T71.9Confident84.9Confident83 Ų8351 Ų5151%0.50928%0.281SS..THydrogen-bonded Turntrans-83-13.8-179.657.40000114.5T20 Y46T20-T22 HydrophobicContact CG2-CG2 4.46Å; T20-T22 WeakPolarHBondContact CG2-OG1 3.43Å; T20-T22 PolarHBondContact O-N 2.78Å; T22-Y46 PolarHBondContact O-N 3.49Å
23T74.7Confident84.3Confident71 Ų7157.2 Ų57.244%0.43631%0.309SS..THydrogen-bonded Turntrans-107-28.2-16752.60000115.2T20T20-T23 PolarHBondContact O-N 3.1Å; T20-T23 PolarHBondContact O-OG1 2.69Å
24Y83Confident83.4Confident85 Ų8557.9 Ų57.933%0.33333%0.328SS..SBendtrans-124.1140.1-175.2-64.2-79000112Y19 P45 R90Y19-Y24 HydrophobicContact CD2-CD2 4.03Å; Y24-P45 WeakPolarHBondContact O-CD 3.11Å; Y24-P45 VanDerWaalsContact O-CG 3.29Å; Y24-P45 WeakPolarHBondContact O-CG 3.48Å; Y24-R90 VanDerWaalsContact CD2-NH2 3.25Å; Y24-R90 VanDerWaalsContact CE1-NH2 3.31Å; Y24-R90 VanDerWaalsContact CG-NE 3.27Å
25P87.5Confident82.8Confident16 Ų1664.5 Ų64.510%0.10436%0.356CS..  trans-67.5157.2175.830-34.5000111.4F43 H44 P91P25-F43 CarbonylContact C-O 3.51Å; P25-F43 WeakPolarHBondContact CA-O 3.2Å; P25-F43 VanDerWaalsContact CB-O 3.3Å; P25-F43 WeakPolarHBondContact CB-O 3.36Å; P25-H44 HydrophobicContact CB-CB 4.29Å; P25-P91 HydrophobicContact CG-CG 3.54Å; P25-P91 WeakPolarHBondContact O-CD 3.46Å
26I90.8Very high82.6Confident2 Ų261.9 Ų61.91%0.0136%0.356CS..EExtended strand (participates in β ladder)trans-112.8128.2166.3-60.3-169.7000107.7A16 Y19 F21 N42 F43 V71 C88A16-I26 HydrophobicContact CB-CD1 3.99Å; Y19-I26 WeakPolarHBondContact OH-CD1 3.44Å; Y19-I26 VanDerWaalsContact OH-CG1 3.3Å; Y19-I26 WeakPolarHBondContact OH-CG1 3.34Å; F21-I26 HydrophobicContact CD2-CD1 3.99Å; F21-I26 HydrophobicContact CE2-CD1 3.62Å; F21-I26 HydrophobicContact CE2-CG1 4.14Å; I26-N42 CarbonylContact O-C 3.42Å; I26-N42 VanDerWaalsContact O-CA 3.26Å; I26-N42 WeakPolarHBondContact O-CA 3.49Å; I26-F43 PolarHBondContact N-O 2.93Å; I26-F43 PolarHBondContact O-N 3.43Å; I26-V71 HydrophobicContact CB-CB 4.47Å; I26-V71 HydrophobicContact CB-CG2 4.05Å; I26-V71 HydrophobicContact CD1-CG2 3.89Å; I26-V71 HydrophobicContact CG1-CG2 4.3Å; I26-V71 HydrophobicContact CG2-CB 4.37Å; I26-V71 HydrophobicContact CG2-CG2 4.45Å; I26-C88 HydrophobicContact CG2-CB 4.07Å
27E93Very high83.1Confident24 Ų2464.3 Ų64.311%0.11237%0.367CS..EExtended strand (participates in β ladder)trans-105.9148.7178.1-54.8-164.4172.400110.6W39 G41 N42 C88 A89 P91 Y96E27-W39 PolarHBondContact OE2-NE1 3.09Å; E27-G41 WeakPolarHBondContact CA-O 3.15Å; E27-N42 HydrophobicContact CB-CB 4.44Å; E27-N42 HydrophobicContact CG-CB 3.8Å; E27-C88 CarbonylContact O-C 3.54Å; E27-C88 WeakPolarHBondContact O-CA 3.12Å; E27-A89 PolarHBondContact N-O 3.36Å; E27-A89 PolarHBondContact O-N 2.98Å; E27-P91 HydrophobicContact CG-CG 4.31Å; E27-Y96 HydrophobicContact CB-CE1 4.33Å; E27-Y96 HydrophobicContact CG-CE1 4.39Å; E27-Y96 WeakPolarHBondContact OE2-CE1 3.29Å; E27-Y96 VanDerWaalsContact OE2-CZ 3.23Å; E27-Y96 PolarHBondContact OE2-OH 3.34Å
28W96.1Very high84Confident4 Ų457.4 Ų57.42%0.01534%0.337CS..EExtended strand (participates in β ladder)trans-110133.2169.8-82.294.8000110M12 C14 I40 G41 L62 L73 Y87 C88M12-W28 HydrophobicContact CB-CH2 3.76Å; M12-W28 HydrophobicContact CB-CZ2 4.43Å; M12-W28 HydrophobicContact CB-CZ3 4.26Å; C14-W28 HydrophobicContact CB-CH2 4.1Å; C14-W28 HydrophobicContact CB-CZ2 3.57Å; W28-I40 HydrophobicContact CB-CB 4.07Å; W28-I40 HydrophobicContact CB-CD1 4.12Å; W28-I40 HydrophobicContact CB-CG2 4.49Å; W28-I40 VanDerWaalsContact O-CB 3.31Å; W28-I40 WeakPolarHBondContact O-CB 3.36Å; W28-I40 PolarHBondContact O-N 2.59Å; W28-G41 PolarHBondContact N-O 2.87Å; W28-L62 HydrophobicContact CG-CD2 4.11Å; W28-L73 HydrophobicContact CB-CD2 4.27Å; W28-L73 HydrophobicContact CD2-CB 3.63Å; W28-L73 HydrophobicContact CD2-CD2 3.79Å; W28-L73 HydrophobicContact CD2-CG 4.3Å; W28-L73 VanDerWaalsContact CE2-CB 3.49Å; W28-L73 HydrophobicContact CE3-CB 4.11Å; W28-L73 HydrophobicContact CE3-CD2 3.65Å; W28-L73 HydrophobicContact CG-CB 3.99Å; W28-L73 HydrophobicContact CG-CD2 4.09Å; W28-L73 HydrophobicContact CG-CG 4.48Å; W28-L73 HydrophobicContact CH2-CB 4.31Å; W28-L73 HydrophobicContact CZ2-CB 3.85Å; W28-L73 HydrophobicContact CZ3-CB 4.43Å; W28-L73 HydrophobicContact CZ3-CD2 4.25Å; W28-Y87 CarbonylContact C-O 3.59Å; W28-Y87 WeakPolarHBondContact CA-O 3.38Å; W28-C88 HydrophobicContact CD2-CB 4.26Å; W28-C88 HydrophobicContact CE3-CB 4.36Å; W28-C88 HydrophobicContact CH2-CB 4.46Å; W28-C88 HydrophobicContact CZ2-CB 4.36Å; W28-C88 HydrophobicContact CZ3-CB 4.45Å
29M95.7Very high85.3Confident9 Ų957.7 Ų57.74%0.04432%0.315CS..EExtended strand (participates in β ladder)trans-126.4141.4-177-53-57.4-77.500109.7L37 E38 W39 Y86 Y87 Y96 W99M29-L37 HydrophobicContact CB-CD1 4.21Å; M29-L37 HydrophobicContact CB-CD2 3.95Å; M29-L37 HydrophobicContact CB-CG 4.03Å; M29-L37 HydrophobicContact CE-CD2 3.23Å; M29-L37 HydrophobicContact CE-CG 3.89Å; M29-L37 HydrophobicContact CG-CD2 4Å; M29-L37 HydrophobicContact SD-CD2 4.44Å; M29-E38 CarbonylContact C-O 3.39Å; M29-E38 WeakPolarHBondContact CA-O 3.04Å; M29-W39 HydrophobicContact CE-CB 3.86Å; M29-W39 HydrophobicContact SD-CB 3.91Å; M29-W39 HydrophobicContact SD-CG 4.05Å; M29-Y86 CarbonylContact O-C 3.56Å; M29-Y86 WeakPolarHBondContact O-CA 3.27Å; M29-Y87 PolarHBondContact N-O 2.84Å; M29-Y87 PolarHBondContact O-N 2.76Å; M29-Y96 HydrophobicContact CE-CE2 4.35Å; M29-Y96 WeakPolarHBondContact CE-OH 3.26Å; M29-Y96 PolarHBondContact SD-OH 3.39Å; M29-W99 HydrophobicContact CB-CZ3 4.09Å; M29-W99 HydrophobicContact CG-CH2 3.98Å; M29-W99 HydrophobicContact CG-CZ3 3.81Å
30K95.9Very high86.7Confident7 Ų755.5 Ų55.53%0.0331%0.306CS..EExtended strand (participates in β ladder)trans-107.1126.7171-171.9-176.6-178-162.80109.6N32 E38 I40 F56 D81 A84 Y86K30-N32 WeakPolarHBondContact CE-OD1 3.41Å; K30-N32 PolarHBondContact NZ-OD1 3.45Å; K30-N32 VanDerWaalsContact NZ-OD1 3.1Å; K30-E38 HydrophobicContact CB-CB 4.38Å; K30-E38 PolarHBondContact N-O 2.82Å; K30-E38 PolarHBondContact O-N 2.93Å; K30-I40 HydrophobicContact CB-CD1 4.04Å; K30-I40 HydrophobicContact CB-CG1 4.23Å; K30-F56 HydrophobicContact CB-CZ 4.15Å; K30-F56 HydrophobicContact CD-CE1 4.05Å; K30-F56 HydrophobicContact CD-CZ 3.76Å; K30-D81 PolarHBondContact NZ-O 2.79Å; K30-A84 HydrophobicContact CD-CB 4.15Å; K30-A84 HydrophobicContact CG-CB 3.6Å; K30-Y86 HydrophobicContact CB-CD1 4.27Å; K30-Y86 HydrophobicContact CB-CE1 4.04Å; K30-Y86 HydrophobicContact CD-CE1 4.03Å; K30-Y86 WeakPolarHBondContact CE-OH 3.46Å; K30-Y86 HydrophobicContact CG-CD1 4.28Å; K30-Y86 HydrophobicContact CG-CE1 3.77Å; K30-Y86 HydrophobicContact CG-CE2 4.47Å
31Q95.4Very high87.9Confident78 Ų7851 Ų5136%0.36428%0.278SS..EExtended strand (participates in β ladder)trans-107.2106.5169.8-166.4179.644.500109.6L37 A84 V85 Y87Q31-L37 HydrophobicContact CB-CD1 3.84Å; Q31-L37 HydrophobicContact CG-CD1 4.18Å; Q31-A84 VanDerWaalsContact O-CB 3.27Å; Q31-A84 WeakPolarHBondContact O-CB 3.19Å; Q31-V85 PolarHBondContact N-O 3.01Å; Q31-V85 PolarHBondContact O-N 2.82Å; Q31-Y87 HydrophobicContact CB-CD2 4.18Å; Q31-Y87 HydrophobicContact CB-CE2 3.76Å; Q31-Y87 PolarHBondContact OE1-OH 2.79Å
32N91.3Very high88.9Confident23 Ų2351.4 Ų51.412%0.12328%0.281CS..  trans-76.7147.4172.4-51-69.8000109.6K30 G34 K35 E38K30-N32 WeakPolarHBondContact CE-OD1 3.41Å; K30-N32 PolarHBondContact NZ-OD1 3.45Å; K30-N32 VanDerWaalsContact NZ-OD1 3.1Å; N32-G34 PolarHBondContact O-N 2.93Å; N32-K35 HydrophobicContact CB-CB 4.1Å; N32-K35 HydrophobicContact CB-CD 4.22Å; N32-K35 HydrophobicContact CB-CG 4.36Å; N32-K35 PolarHBondContact O-N 3.1Å; N32-K35 VanDerWaalsContact O-N 3.1Å; N32-E38 PolarHBondContact ND2-OE2 2.85Å
33H83.6Confident89.9Confident136 Ų13647.8 Ų47.863%0.6326%0.258SS*.THydrogen-bonded Turntrans-58.1115.9-178.9-64.5-168.8000110.2K35H33-K35 VanDerWaalsContact C-N 3.32Å; H33-K35 PolarHBondContact O-N 2.86Å
34G76.2Confident90.6Very high92 Ų9247 Ų4795%0.94825%0.25SC*.THydrogen-bonded Turntrans71.912.4178.700000116.3N32N32-G34 PolarHBondContact O-N 2.93Å
35K78.6Confident90.8Very high151 Ų15143.5 Ų43.566%0.65724%0.237SC*.SBendtrans-121177.1177-54-176.8175.6177.70112.5N32 H33N32-K35 HydrophobicContact CB-CB 4.1Å; N32-K35 HydrophobicContact CB-CD 4.22Å; N32-K35 HydrophobicContact CB-CG 4.36Å; N32-K35 PolarHBondContact O-N 3.1Å; N32-K35 VanDerWaalsContact O-N 3.1Å; H33-K35 VanDerWaalsContact C-N 3.32Å; H33-K35 PolarHBondContact O-N 2.86Å
36S84.9Confident90.7Very high93 Ų9351.8 Ų51.865%0.6527%0.268SS*.  trans-60.8152.2174.257.30000112.5
37L92.1Very high90.6Very high65 Ų6556.1 Ų56.134%0.3429%0.291SS..EExtended strand (participates in β ladder)trans-70133.8171.6-160.586.9000110.2M29 Q31 W99M29-L37 HydrophobicContact CB-CD1 4.21Å; M29-L37 HydrophobicContact CB-CD2 3.95Å; M29-L37 HydrophobicContact CB-CG 4.03Å; M29-L37 HydrophobicContact CE-CD2 3.23Å; M29-L37 HydrophobicContact CE-CG 3.89Å; M29-L37 HydrophobicContact CG-CD2 4Å; M29-L37 HydrophobicContact SD-CD2 4.44Å; Q31-L37 HydrophobicContact CB-CD1 3.84Å; Q31-L37 HydrophobicContact CG-CD1 4.18Å; L37-W99 HydrophobicContact CD2-CH2 3.38Å; L37-W99 HydrophobicContact CD2-CZ2 4.35Å; L37-W99 HydrophobicContact CD2-CZ3 3.99Å
38E94.8Very high90.4Very high40 Ų4059 Ų5919%0.18731%0.307CS..EExtended strand (participates in β ladder)trans-113.7128.3179.7-55.3-169.692.500110.7M29 K30 N32 K55 F56M29-E38 CarbonylContact C-O 3.39Å; M29-E38 WeakPolarHBondContact CA-O 3.04Å; K30-E38 HydrophobicContact CB-CB 4.38Å; K30-E38 PolarHBondContact N-O 2.82Å; K30-E38 PolarHBondContact O-N 2.93Å; N32-E38 PolarHBondContact ND2-OE2 2.85Å; E38-K55 WeakPolarHBondContact OE1-CD 3.23Å; E38-K55 IonicContact OE1-NZ 2.82Å; E38-K55 PolarHBondContact OE1-NZ 2.84Å; E38-K55 IonicContact OE2-NZ 2.59Å; E38-K55 PolarHBondContact OE2-NZ 2.78Å; E38-F56 HydrophobicContact CB-CE2 4.29Å
39W95.1Very high90.2Very high82 Ų8261.5 Ų61.531%0.31132%0.321SS..EExtended strand (participates in β ladder)trans-75.8125.8174.1-17879.2000110.6E27 M29 N42 K51 S53E27-W39 PolarHBondContact OE2-NE1 3.09Å; M29-W39 HydrophobicContact CE-CB 3.86Å; M29-W39 HydrophobicContact SD-CB 3.91Å; M29-W39 HydrophobicContact SD-CG 4.05Å; W39-N42 HydrophobicContact CZ2-CB 4.1Å; W39-K51 HydrophobicContact CH2-CB 3.89Å; W39-K51 HydrophobicContact CZ2-CB 4.34Å; W39-S53 WeakPolarHBondContact O-CB 3.21Å; W39-S53 PolarHBondContact O-OG 2.94Å
40I96.8Very high90.1Very high0 Ų063.4 Ų63.40%033%0.333CS..EExtended strand (participates in β ladder)trans-90.7-46.3179.4-62.5167.2000110.1W28 K30 Y52 S53 F56 A60 L73 Y86W28-I40 HydrophobicContact CB-CB 4.07Å; W28-I40 HydrophobicContact CB-CD1 4.12Å; W28-I40 HydrophobicContact CB-CG2 4.49Å; W28-I40 VanDerWaalsContact O-CB 3.31Å; W28-I40 WeakPolarHBondContact O-CB 3.36Å; W28-I40 PolarHBondContact O-N 2.59Å; K30-I40 HydrophobicContact CB-CD1 4.04Å; K30-I40 HydrophobicContact CB-CG1 4.23Å; I40-Y52 WeakPolarHBondContact O-CA 2.96Å; I40-S53 PolarHBondContact O-N 2.78Å; I40-S53 PolarHBondContact O-OG 2.97Å; I40-F56 HydrophobicContact CB-CD1 4.46Å; I40-F56 HydrophobicContact CB-CD2 4.41Å; I40-F56 HydrophobicContact CB-CG 4.26Å; I40-F56 HydrophobicContact CD1-CE1 4.4Å; I40-F56 HydrophobicContact CG1-CD1 4Å; I40-F56 HydrophobicContact CG1-CD2 4.18Å; I40-F56 HydrophobicContact CG1-CE1 3.86Å; I40-F56 HydrophobicContact CG1-CE2 4.01Å; I40-F56 HydrophobicContact CG1-CG 4.15Å; I40-F56 HydrophobicContact CG1-CZ 3.84Å; I40-F56 HydrophobicContact CG2-CB 3.92Å; I40-F56 HydrophobicContact CG2-CD1 4.01Å; I40-F56 HydrophobicContact CG2-CG 3.9Å; I40-A60 HydrophobicContact CG2-CB 3.72Å; I40-L73 HydrophobicContact CD1-CD2 3.81Å; I40-L73 HydrophobicContact CG2-CD1 4Å; I40-Y86 HydrophobicContact CD1-CD1 3.6Å; I40-Y86 HydrophobicContact CD1-CE1 3.79Å
41G95.5Very high90.1Very high0 Ų068.3 Ų68.30%035%0.354CS..EExtended strand (participates in β ladder)trans166.3172.9-173.400000112.1E27 W28 K51E27-G41 WeakPolarHBondContact CA-O 3.15Å; W28-G41 PolarHBondContact N-O 2.87Å; G41-K51 CarbonylContact C-O 3.56Å; G41-K51 WeakPolarHBondContact CA-O 3.2Å
42N93.6Very high90.1Very high19 Ų1968.1 Ų68.110%0.10235%0.351CS..EExtended strand (participates in β ladder)trans-134.4159.6176.473.6-159.5000112I26 E27 W39 T50 K51I26-N42 CarbonylContact O-C 3.42Å; I26-N42 VanDerWaalsContact O-CA 3.26Å; I26-N42 WeakPolarHBondContact O-CA 3.49Å; E27-N42 HydrophobicContact CB-CB 4.44Å; E27-N42 HydrophobicContact CG-CB 3.8Å; W39-N42 HydrophobicContact CZ2-CB 4.1Å; N42-T50 WeakPolarHBondContact O-CA 3.23Å; N42-K51 PolarHBondContact N-O 3.23Å; N42-K51 PolarHBondContact ND2-N 2.84Å; N42-K51 PolarHBondContact O-N 2.87Å
43F92.5Very high90.4Very high7 Ų768 Ų683%0.03135%0.352CS..EExtended strand (participates in β ladder)trans-117.4128.4159.4173.1-107.2000109.9F21 P25 I26 P45 D48 D49 V64 V71F21-F43 HydrophobicContact CE1-CE1 4.1Å; F21-F43 AromaticContact CZ-CD1 3.9Å; F21-F43 HydrophobicContact CZ-CD1 3.9Å; F21-F43 AromaticContact CZ-CE1 3.78Å; F21-F43 HydrophobicContact CZ-CE1 3.78Å; P25-F43 CarbonylContact C-O 3.51Å; P25-F43 WeakPolarHBondContact CA-O 3.2Å; P25-F43 VanDerWaalsContact CB-O 3.3Å; P25-F43 WeakPolarHBondContact CB-O 3.36Å; I26-F43 PolarHBondContact N-O 2.93Å; I26-F43 PolarHBondContact O-N 3.43Å; F43-P45 HydrophobicContact CD1-CB 4.36Å; F43-P45 VanDerWaalsContact CE1-CA 3.46Å; F43-P45 HydrophobicContact CE1-CB 3.7Å; F43-P45 HydrophobicContact CZ-CB 4.42Å; F43-D48 HydrophobicContact CE2-CB 4.42Å; F43-D48 WeakPolarHBondContact CZ-OD1 3.43Å; F43-D49 WeakPolarHBondContact CD2-O 3.15Å; F43-V64 HydrophobicContact CB-CG2 4.03Å; F43-V64 HydrophobicContact CD1-CB 4.35Å; F43-V64 HydrophobicContact CD1-CG1 4.03Å; F43-V64 HydrophobicContact CD1-CG2 3.41Å; F43-V64 VanDerWaalsContact CD1-CG2 3.41Å; F43-V64 HydrophobicContact CD2-CG2 3.53Å; F43-V64 HydrophobicContact CE1-CB 4.12Å; F43-V64 HydrophobicContact CE1-CG1 3.55Å; F43-V64 HydrophobicContact CE1-CG2 3.61Å; F43-V64 HydrophobicContact CE2-CB 4.48Å; F43-V64 HydrophobicContact CE2-CG2 3.72Å; F43-V64 HydrophobicContact CG-CG2 3.35Å; F43-V64 HydrophobicContact CZ-CB 4.17Å; F43-V64 HydrophobicContact CZ-CG1 3.91Å; F43-V64 HydrophobicContact CZ-CG2 3.75Å; F43-V71 HydrophobicContact CB-CG1 4.24Å; F43-V71 HydrophobicContact CB-CG2 4.45Å; F43-V71 HydrophobicContact CD1-CG2 4.14Å
44H90.5Very high90.9Very high54 Ų5468.3 Ų68.325%0.2535%0.353CS..EExtended strand (participates in β ladder)trans-104.3110.2175.3-160.1-60.1000110.4P25 Y46 N47 D48 D49P25-H44 HydrophobicContact CB-CB 4.29Å; H44-Y46 VanDerWaalsContact CE1-CB 3.46Å; H44-Y46 WeakPolarHBondContact CE1-CB 3.14Å; H44-Y46 WeakPolarHBondContact ND1-CB 3.3Å; H44-Y46 PolarHBondContact ND1-N 2.78Å; H44-Y46 PolarHBondContact O-N 2.59Å; H44-N47 WeakPolarHBondContact CB-OD1 3.43Å; H44-N47 PolarHBondContact O-OD1 2.82Å; H44-D48 WeakPolarHBondContact O-CA 3.31Å; H44-D48 PolarHBondContact O-N 2.67Å; H44-D48 VanDerWaalsContact O-N 3.08Å; H44-D49 HydrophobicContact CB-CB 4.44Å; H44-D49 PolarHBondContact N-O 2.81Å; H44-D49 PolarHBondContact O-N 2.82Å
45P86.4Confident91.7Very high11 Ų1170.1 Ų70.17%0.07134%0.335CS..THydrogen-bonded Turntrans-74.6-23.4-169.229.5-37.5000114.6F21 Y24 F43 N47F21-P45 HydrophobicContact CE1-CB 4.31Å; F21-P45 WeakPolarHBondContact O-CB 3.33Å; F21-P45 WeakPolarHBondContact O-CG 3.44Å; Y24-P45 WeakPolarHBondContact O-CD 3.11Å; Y24-P45 VanDerWaalsContact O-CG 3.29Å; Y24-P45 WeakPolarHBondContact O-CG 3.48Å; F43-P45 HydrophobicContact CD1-CB 4.36Å; F43-P45 VanDerWaalsContact CE1-CA 3.46Å; F43-P45 HydrophobicContact CE1-CB 3.7Å; F43-P45 HydrophobicContact CZ-CB 4.42Å; P45-N47 PolarHBondContact O-N 2.81Å
46Y85.4Confident92.4Very high191 Ų19163.2 Ų63.275%0.74931%0.305SS*.THydrogen-bonded Turntrans-63.5-37.5179.5176.9-105.8000113.5T22 H44T22-Y46 PolarHBondContact O-N 3.49Å; H44-Y46 VanDerWaalsContact CE1-CB 3.46Å; H44-Y46 WeakPolarHBondContact CE1-CB 3.14Å; H44-Y46 WeakPolarHBondContact ND1-CB 3.3Å; H44-Y46 PolarHBondContact ND1-N 2.78Å; H44-Y46 PolarHBondContact O-N 2.59Å
47N89.4Confident92.8Very high92 Ų9265 Ų6549%0.49230%0.302SS..THydrogen-bonded Turntrans-125.310.4-174.863.4-15.2000112.8H44 P45 D49H44-N47 WeakPolarHBondContact CB-OD1 3.43Å; H44-N47 PolarHBondContact O-OD1 2.82Å; P45-N47 PolarHBondContact O-N 2.81Å; N47-D49 PolarHBondContact O-N 2.96Å; N47-D49 VanDerWaalsContact O-N 3.17Å; N47-D49 VanDerWaalsContact OD1-CB 3.29Å; N47-D49 WeakPolarHBondContact OD1-CB 3.5Å; N47-D49 PolarHBondContact OD1-N 2.78Å
48D89.6Confident92.8Very high85 Ų8564.5 Ų64.546%0.45531%0.312SS..THydrogen-bonded Turntrans54.628.9-176.5-68.7-40.9000114.6F43 H44 K66F43-D48 HydrophobicContact CE2-CB 4.42Å; F43-D48 WeakPolarHBondContact CZ-OD1 3.43Å; H44-D48 WeakPolarHBondContact O-CA 3.31Å; H44-D48 PolarHBondContact O-N 2.67Å; H44-D48 VanDerWaalsContact O-N 3.08Å; D48-K66 WeakPolarHBondContact OD1-CE 3.45Å; D48-K66 IonicContact OD1-NZ 2.75Å; D48-K66 PolarHBondContact OD1-NZ 3.18Å; D48-K66 IonicContact OD2-NZ 2.59Å; D48-K66 PolarHBondContact OD2-NZ 2.89Å
49D91.6Very high92.8Very high57 Ų5764.8 Ų64.831%0.30531%0.313SS..EExtended strand (participates in β ladder)trans-85.3138-177.6-17329.7000111.5F43 H44 N47 K51F43-D49 WeakPolarHBondContact CD2-O 3.15Å; H44-D49 HydrophobicContact CB-CB 4.44Å; H44-D49 PolarHBondContact N-O 2.81Å; H44-D49 PolarHBondContact O-N 2.82Å; N47-D49 PolarHBondContact O-N 2.96Å; N47-D49 VanDerWaalsContact O-N 3.17Å; N47-D49 VanDerWaalsContact OD1-CB 3.29Å; N47-D49 WeakPolarHBondContact OD1-CB 3.5Å; N47-D49 PolarHBondContact OD1-N 2.78Å; D49-K51 WeakPolarHBondContact OD2-CE 2.99Å; D49-K51 IonicContact OD2-NZ 2.87Å
50T94.1Very high92.9Very high48 Ų4861.3 Ų61.329%0.29430%0.301SS..EExtended strand (participates in β ladder)trans-124.6124.4177.3-54.70000109.2N42 Y52 L62N42-T50 WeakPolarHBondContact O-CA 3.23Å; T50-Y52 HydrophobicContact CG2-CD2 4.32Å; T50-Y52 HydrophobicContact CG2-CE1 4.48Å; T50-Y52 HydrophobicContact CG2-CE2 3.51Å; T50-L62 HydrophobicContact CG2-CB 3.91Å; T50-L62 HydrophobicContact CG2-CD1 3.93Å; T50-L62 HydrophobicContact CG2-CG 4.42Å
51K94.8Very high92.9Very high110 Ų11066.8 Ų66.848%0.47833%0.325SS..EExtended strand (participates in β ladder)trans-118150.2177.6-57.5-175.3-176.6179.20109.9W39 G41 N42 D49W39-K51 HydrophobicContact CH2-CB 3.89Å; W39-K51 HydrophobicContact CZ2-CB 4.34Å; G41-K51 CarbonylContact C-O 3.56Å; G41-K51 WeakPolarHBondContact CA-O 3.2Å; N42-K51 PolarHBondContact N-O 3.23Å; N42-K51 PolarHBondContact ND2-N 2.84Å; N42-K51 PolarHBondContact O-N 2.87Å; D49-K51 WeakPolarHBondContact OD2-CE 2.99Å; D49-K51 IonicContact OD2-NZ 2.87Å
52Y96.4Very high92.9Very high74 Ų7467.4 Ų67.429%0.2933%0.328SS..EExtended strand (participates in β ladder)trans-130.3151.9177.6-61.8-89.7000109I40 T50 A60 L62I40-Y52 WeakPolarHBondContact O-CA 2.96Å; T50-Y52 HydrophobicContact CG2-CD2 4.32Å; T50-Y52 HydrophobicContact CG2-CE1 4.48Å; T50-Y52 HydrophobicContact CG2-CE2 3.51Å; Y52-A60 HydrophobicContact CD1-CB 4.44Å; Y52-A60 HydrophobicContact CE1-CB 4.43Å; Y52-L62 HydrophobicContact CE1-CB 4.29Å; Y52-L62 HydrophobicContact CE1-CD1 4.16Å; Y52-L62 HydrophobicContact CE1-CG 3.83Å; Y52-L62 PolarHBondContact OH-N 3.34Å
53S95.9Very high92.9Very high22 Ų2268.3 Ų68.315%0.15434%0.335CS..  trans-75.8150.9161.559.90000110.4W39 I40 K55 F56 K57W39-S53 WeakPolarHBondContact O-CB 3.21Å; W39-S53 PolarHBondContact O-OG 2.94Å; I40-S53 PolarHBondContact O-N 2.78Å; I40-S53 PolarHBondContact O-OG 2.97Å; S53-K55 PolarHBondContact O-N 2.72Å; S53-F56 PolarHBondContact O-N 2.57Å; S53-F56 VanDerWaalsContact OG-CD2 3.23Å; S53-F56 WeakPolarHBondContact OG-CD2 2.88Å; S53-K57 PolarHBondContact O-N 2.92Å; S53-K57 VanDerWaalsContact O-N 3.16Å
54E94.6Very high92.9Very high141 Ų14170.3 Ų70.366%0.65935%0.347SS*.THydrogen-bonded Turntrans-59.2-32.4-178.1-70.1-60.5139.700112.3F56 K57E54-F56 VanDerWaalsContact C-N 3.3Å; E54-F56 PolarHBondContact O-N 3.43Å; E54-K57 WeakPolarHBondContact O-CB 3.3Å; E54-K57 PolarHBondContact O-N 2.87Å; E54-K57 IonicContact OE1-NZ 3.94Å; E54-K57 PolarHBondContact OE1-NZ 3.27Å; E54-K57 WeakPolarHBondContact OE2-CD 3.31Å; E54-K57 IonicContact OE2-NZ 2.65Å; E54-K57 PolarHBondContact OE2-NZ 3.39Å
55K92.3Very high92.9Very high131 Ų13171.5 Ų71.557%0.5735%0.353SS*.THydrogen-bonded Turntrans-63.3-32.2177.4-173.7-179.2-177-174.20113.4E38 S53E38-K55 WeakPolarHBondContact OE1-CD 3.23Å; E38-K55 IonicContact OE1-NZ 2.82Å; E38-K55 PolarHBondContact OE1-NZ 2.84Å; E38-K55 IonicContact OE2-NZ 2.59Å; E38-K55 PolarHBondContact OE2-NZ 2.78Å; S53-K55 PolarHBondContact O-N 2.72Å
56F94.6Very high92.8Very high6 Ų676.2 Ų76.23%0.02637%0.372CS..THydrogen-bonded Turntrans-103.9-3.2-174.5-69.5-92.3000113.1K30 E38 I40 S53 E54 G58 K59 A60K30-F56 HydrophobicContact CB-CZ 4.15Å; K30-F56 HydrophobicContact CD-CE1 4.05Å; K30-F56 HydrophobicContact CD-CZ 3.76Å; E38-F56 HydrophobicContact CB-CE2 4.29Å; I40-F56 HydrophobicContact CB-CD1 4.46Å; I40-F56 HydrophobicContact CB-CD2 4.41Å; I40-F56 HydrophobicContact CB-CG 4.26Å; I40-F56 HydrophobicContact CD1-CE1 4.4Å; I40-F56 HydrophobicContact CG1-CD1 4Å; I40-F56 HydrophobicContact CG1-CD2 4.18Å; I40-F56 HydrophobicContact CG1-CE1 3.86Å; I40-F56 HydrophobicContact CG1-CE2 4.01Å; I40-F56 HydrophobicContact CG1-CG 4.15Å; I40-F56 HydrophobicContact CG1-CZ 3.84Å; I40-F56 HydrophobicContact CG2-CB 3.92Å; I40-F56 HydrophobicContact CG2-CD1 4.01Å; I40-F56 HydrophobicContact CG2-CG 3.9Å; S53-F56 PolarHBondContact O-N 2.57Å; S53-F56 VanDerWaalsContact OG-CD2 3.23Å; S53-F56 WeakPolarHBondContact OG-CD2 2.88Å; E54-F56 VanDerWaalsContact C-N 3.3Å; E54-F56 PolarHBondContact O-N 3.43Å; F56-G58 PolarHBondContact O-N 3.32Å; F56-K59 PolarHBondContact O-N 2.86Å; F56-A60 HydrophobicContact CB-CB 4.02Å; F56-A60 PolarHBondContact O-N 3.19Å
57K92.8Very high92.8Very high131 Ų13172.5 Ų72.557%0.5737%0.374SS*.BIsolated β-bridgetrans-59.1123.4175.5-158.8173.6-170.1170.90110.2S53 E54 K59S53-K57 PolarHBondContact O-N 2.92Å; S53-K57 VanDerWaalsContact O-N 3.16Å; E54-K57 WeakPolarHBondContact O-CB 3.3Å; E54-K57 PolarHBondContact O-N 2.87Å; E54-K57 IonicContact OE1-NZ 3.94Å; E54-K57 PolarHBondContact OE1-NZ 3.27Å; E54-K57 WeakPolarHBondContact OE2-CD 3.31Å; E54-K57 IonicContact OE2-NZ 2.65Å; E54-K57 PolarHBondContact OE2-NZ 3.39Å; K57-K59 PolarHBondContact O-N 3.43Å
58G91.9Very high92.7Very high54 Ų5469.6 Ų69.656%0.55736%0.361SS*.THydrogen-bonded Turntrans79.6-4.9-177.100000115.5F56 R77F56-G58 PolarHBondContact O-N 3.32Å; G58-R77 PolarHBondContact O-NH2 2.92Å
59K95.1Very high92.6Very high46 Ų4667.1 Ų67.120%0.235%0.35CS..THydrogen-bonded Turntrans-105.4-44171.2-172.9159.3-168.7170.50112.1F56 K57 S76 D82F56-K59 PolarHBondContact O-N 2.86Å; K57-K59 PolarHBondContact O-N 3.43Å; K59-S76 PolarHBondContact O-N 2.88Å; K59-S76 PolarHBondContact O-OG 3.04Å; K59-D82 VanDerWaalsContact CE-CG 3.46Å; K59-D82 WeakPolarHBondContact CE-OD1 3.38Å; K59-D82 WeakPolarHBondContact CE-OD2 3.4Å; K59-D82 IonicContact NZ-OD1 3.29Å; K59-D82 PolarHBondContact NZ-OD1 3.21Å; K59-D82 IonicContact NZ-OD2 2.96Å; K59-D82 PolarHBondContact NZ-OD2 3.4Å
60A96.9Very high92.6Very high9 Ų964.9 Ų64.97%0.07434%0.339CS..EExtended strand (participates in β ladder)trans-94.7144.6175.700000111.5I40 Y52 F56 L73 E74 L75I40-A60 HydrophobicContact CG2-CB 3.72Å; Y52-A60 HydrophobicContact CD1-CB 4.44Å; Y52-A60 HydrophobicContact CE1-CB 4.43Å; F56-A60 HydrophobicContact CB-CB 4.02Å; F56-A60 PolarHBondContact O-N 3.19Å; A60-L73 HydrophobicContact CB-CD1 3.75Å; A60-E74 CarbonylContact C-O 3.54Å; A60-E74 WeakPolarHBondContact CA-O 3.26Å; A60-L75 HydrophobicContact CB-CD2 3.9Å
61K96.8Very high92.5Very high114 Ų11462.6 Ų62.650%0.49633%0.325SS..EExtended strand (participates in β ladder)trans-133.3121.5169.5178.1-175.5175.7-1700108.8T63 E74K61-T63 HydrophobicContact CD-CG2 4.44Å; K61-T63 HydrophobicContact CG-CG2 4.27Å; K61-E74 HydrophobicContact CB-CB 4.29Å; K61-E74 PolarHBondContact N-O 2.86Å; K61-E74 PolarHBondContact O-N 2.8Å
62L95.6Very high92.5Very high13 Ų1359.7 Ų59.77%0.06831%0.311CS..EExtended strand (participates in β ladder)trans-91.5133.2173.5-64.2177.3000109.6W28 T50 Y52 Y72 L73W28-L62 HydrophobicContact CG-CD2 4.11Å; T50-L62 HydrophobicContact CG2-CB 3.91Å; T50-L62 HydrophobicContact CG2-CD1 3.93Å; T50-L62 HydrophobicContact CG2-CG 4.42Å; Y52-L62 HydrophobicContact CE1-CB 4.29Å; Y52-L62 HydrophobicContact CE1-CD1 4.16Å; Y52-L62 HydrophobicContact CE1-CG 3.83Å; Y52-L62 PolarHBondContact OH-N 3.34Å; L62-Y72 VanDerWaalsContact CA-O 3.31Å; L62-Y72 WeakPolarHBondContact CA-O 3.37Å; L62-L73 HydrophobicContact CD2-CB 4.06Å; L62-L73 HydrophobicContact CD2-CD1 3.81Å
63T93.9Very high92.6Very high39 Ų3956.2 Ų56.224%0.23930%0.297CS..EExtended strand (participates in β ladder)trans-131.7150.4172.955.90000110.1K61 Y72K61-T63 HydrophobicContact CD-CG2 4.44Å; K61-T63 HydrophobicContact CG-CG2 4.27Å; T63-Y72 PolarHBondContact N-O 2.82Å; T63-Y72 PolarHBondContact O-N 3.45Å; T63-Y72 WeakPolarHBondContact OG1-CB 3.11Å
64V91.5Very high92.6Very high48 Ų4858 Ų5829%0.29130%0.304SS..EExtended strand (participates in β ladder)trans-129.4135.4-169.71790000110.2F21 F43 K66 V71F21-V64 HydrophobicContact CE1-CG1 3.72Å; F21-V64 HydrophobicContact CZ-CG1 3.66Å; F43-V64 HydrophobicContact CB-CG2 4.03Å; F43-V64 HydrophobicContact CD1-CB 4.35Å; F43-V64 HydrophobicContact CD1-CG1 4.03Å; F43-V64 HydrophobicContact CD1-CG2 3.41Å; F43-V64 VanDerWaalsContact CD1-CG2 3.41Å; F43-V64 HydrophobicContact CD2-CG2 3.53Å; F43-V64 HydrophobicContact CE1-CB 4.12Å; F43-V64 HydrophobicContact CE1-CG1 3.55Å; F43-V64 HydrophobicContact CE1-CG2 3.61Å; F43-V64 HydrophobicContact CE2-CB 4.48Å; F43-V64 HydrophobicContact CE2-CG2 3.72Å; F43-V64 HydrophobicContact CG-CG2 3.35Å; F43-V64 HydrophobicContact CZ-CB 4.17Å; F43-V64 HydrophobicContact CZ-CG1 3.91Å; F43-V64 HydrophobicContact CZ-CG2 3.75Å; V64-K66 HydrophobicContact CG1-CG 4.03Å; V64-V71 HydrophobicContact CG2-CG1 4.4Å; V64-V71 HydrophobicContact CG2-CG2 4.24Å
65E90.3Very high92.7Very high79 Ų7951.3 Ų51.337%0.36927%0.272SS..EExtended strand (participates in β ladder)trans-11895.3170.7-174.9178.9-148.800108.6S67 S68 S69 T70 Y72E65-S67 VanDerWaalsContact C-N 3.32Å; E65-S67 PolarHBondContact O-N 2.95Å; E65-S68 VanDerWaalsContact CG-OG 3.28Å; E65-S68 WeakPolarHBondContact CG-OG 3.27Å; E65-S68 PolarHBondContact O-N 3.28Å; E65-S68 PolarHBondContact O-OG 3.34Å; E65-S68 PolarHBondContact OE2-OG 3.06Å; E65-S69 PolarHBondContact O-N 3.34Å; E65-T70 PolarHBondContact N-O 3.29Å; E65-T70 PolarHBondContact O-N 3.47Å; E65-Y72 HydrophobicContact CB-CE2 3.85Å; E65-Y72 PolarHBondContact OE2-OH 2.85Å
66K84.5Confident92.9Very high111 Ų11146.5 Ų46.548%0.48326%0.255SS..THydrogen-bonded Turntrans-63.4-36.8-174.4-62.4-170-178-176.30112.7F21 D48 V64 S68 S69F21-K66 HydrophobicContact CE1-CG 4.26Å; D48-K66 WeakPolarHBondContact OD1-CE 3.45Å; D48-K66 IonicContact OD1-NZ 2.75Å; D48-K66 PolarHBondContact OD1-NZ 3.18Å; D48-K66 IonicContact OD2-NZ 2.59Å; D48-K66 PolarHBondContact OD2-NZ 2.89Å; V64-K66 HydrophobicContact CG1-CG 4.03Å; K66-S68 VanDerWaalsContact C-N 3.29Å; K66-S68 PolarHBondContact O-N 3Å; K66-S69 PolarHBondContact O-N 2.91Å; K66-S69 VanDerWaalsContact O-N 3.1Å
67S85.4Confident93Very high112 Ų11254.3 Ų54.378%0.78328%0.284SS*.THydrogen-bonded Turntrans-59.8-38.1179.952.90000112.6E65E65-S67 VanDerWaalsContact C-N 3.32Å; E65-S67 PolarHBondContact O-N 2.95Å
68S87.4Confident93.2Very high32 Ų3248.1 Ų48.122%0.22426%0.258CS..THydrogen-bonded Turntrans-95.4-3.4177.372.60000113K15 E65 K66 T70K15-S68 WeakPolarHBondContact CE-O 3.31Å; E65-S68 VanDerWaalsContact CG-OG 3.28Å; E65-S68 WeakPolarHBondContact CG-OG 3.27Å; E65-S68 PolarHBondContact O-N 3.28Å; E65-S68 PolarHBondContact O-OG 3.34Å; E65-S68 PolarHBondContact OE2-OG 3.06Å; K66-S68 VanDerWaalsContact C-N 3.29Å; K66-S68 PolarHBondContact O-N 3Å; S68-T70 PolarHBondContact O-N 2.96Å; S68-T70 PolarHBondContact O-OG1 3.5Å; S68-T70 VanDerWaalsContact OG-CB 3.27Å; S68-T70 WeakPolarHBondContact OG-CB 3.44Å; S68-T70 PolarHBondContact OG-OG1 2.02Å
69S88Confident93.3Very high33 Ų3348.3 Ų48.323%0.23125%0.248CC..THydrogen-bonded Turntrans54.539.8-172.9-61.10000112.6A16 F21 E65 K66A16-S69 WeakPolarHBondContact CB-O 3.36Å; A16-S69 PolarHBondContact N-O 3.16Å; F21-S69 VanDerWaalsContact CB-OG 3.23Å; F21-S69 WeakPolarHBondContact CB-OG 3.44Å; E65-S69 PolarHBondContact O-N 3.34Å; K66-S69 PolarHBondContact O-N 2.91Å; K66-S69 VanDerWaalsContact O-N 3.1Å
70T91.1Very high93.3Very high10 Ų1049.8 Ų49.86%0.06126%0.264CS..EExtended strand (participates in β ladder)trans-113131.5-174.7-51.80000110.9C14 E65 S68 Y72C14-T70 CarbonylContact O-C 3.54Å; C14-T70 WeakPolarHBondContact O-CA 3.48Å; E65-T70 PolarHBondContact N-O 3.29Å; E65-T70 PolarHBondContact O-N 3.47Å; S68-T70 PolarHBondContact O-N 2.96Å; S68-T70 PolarHBondContact O-OG1 3.5Å; S68-T70 VanDerWaalsContact OG-CB 3.27Å; S68-T70 WeakPolarHBondContact OG-CB 3.44Å; S68-T70 PolarHBondContact OG-OG1 2.02Å; T70-Y72 HydrophobicContact CG2-CD1 4.3Å; T70-Y72 HydrophobicContact CG2-CD2 4.14Å; T70-Y72 HydrophobicContact CG2-CE1 3.83Å; T70-Y72 HydrophobicContact CG2-CE2 3.64Å; T70-Y72 HydrophobicContact CG2-CG 4.44Å; T70-Y72 VanDerWaalsContact CG2-CZ 3.47Å
71V92.6Very high93Very high0 Ų055.1 Ų55.10%029%0.291CS..EExtended strand (participates in β ladder)trans-109.5126.6170.6-176.80000108.1C14 F21 I26 F43 V64C14-V71 PolarHBondContact N-O 3.1Å; C14-V71 PolarHBondContact O-N 2.91Å; F21-V71 HydrophobicContact CE2-CG2 3.62Å; F21-V71 HydrophobicContact CZ-CG2 3.63Å; I26-V71 HydrophobicContact CB-CB 4.47Å; I26-V71 HydrophobicContact CB-CG2 4.05Å; I26-V71 HydrophobicContact CD1-CG2 3.89Å; I26-V71 HydrophobicContact CG1-CG2 4.3Å; I26-V71 HydrophobicContact CG2-CB 4.37Å; I26-V71 HydrophobicContact CG2-CG2 4.45Å; F43-V71 HydrophobicContact CB-CG1 4.24Å; F43-V71 HydrophobicContact CB-CG2 4.45Å; F43-V71 HydrophobicContact CD1-CG2 4.14Å; V64-V71 HydrophobicContact CG2-CG1 4.4Å; V64-V71 HydrophobicContact CG2-CG2 4.24Å
72Y95.3Very high92.9Very high49 Ų4950 Ų5019%0.19227%0.269CS..EExtended strand (participates in β ladder)trans-106.2139.7179.7-56.5-94.5000110.6K11 M12 S13 L62 T63 E65 T70K11-Y72 HydrophobicContact CD-CD1 4.4Å; K11-Y72 VanDerWaalsContact CE-CB 3.45Å; K11-Y72 VanDerWaalsContact CE-CD1 3.48Å; K11-Y72 VanDerWaalsContact CE-CG 3.44Å; K11-Y72 HydrophobicContact CG-CD1 4.34Å; M12-Y72 CarbonylContact O-C 3.57Å; M12-Y72 WeakPolarHBondContact O-CA 3.45Å; M12-Y72 WeakPolarHBondContact O-CB 3.24Å; S13-Y72 VanDerWaalsContact CB-CD1 3.47Å; S13-Y72 VanDerWaalsContact CB-CE1 3.45Å; L62-Y72 VanDerWaalsContact CA-O 3.31Å; L62-Y72 WeakPolarHBondContact CA-O 3.37Å; T63-Y72 PolarHBondContact N-O 2.82Å; T63-Y72 PolarHBondContact O-N 3.45Å; T63-Y72 WeakPolarHBondContact OG1-CB 3.11Å; E65-Y72 HydrophobicContact CB-CE2 3.85Å; E65-Y72 PolarHBondContact OE2-OH 2.85Å; T70-Y72 HydrophobicContact CG2-CD1 4.3Å; T70-Y72 HydrophobicContact CG2-CD2 4.14Å; T70-Y72 HydrophobicContact CG2-CE1 3.83Å; T70-Y72 HydrophobicContact CG2-CE2 3.64Å; T70-Y72 HydrophobicContact CG2-CG 4.44Å; T70-Y72 VanDerWaalsContact CG2-CZ 3.47Å
73L97.1Very high92.9Very high0 Ų050.9 Ų50.90%028%0.277CS..EExtended strand (participates in β ladder)trans-107.4116.7168.8170.866.9000108.7K11 M12 W28 I40 A60 L62 L75 Y86K11-L73 WeakPolarHBondContact CA-O 3.43Å; M12-L73 PolarHBondContact N-O 2.83Å; M12-L73 PolarHBondContact O-N 2.95Å; M12-L73 HydrophobicContact SD-CD2 4.36Å; W28-L73 HydrophobicContact CB-CD2 4.27Å; W28-L73 HydrophobicContact CD2-CB 3.63Å; W28-L73 HydrophobicContact CD2-CD2 3.79Å; W28-L73 HydrophobicContact CD2-CG 4.3Å; W28-L73 VanDerWaalsContact CE2-CB 3.49Å; W28-L73 HydrophobicContact CE3-CB 4.11Å; W28-L73 HydrophobicContact CE3-CD2 3.65Å; W28-L73 HydrophobicContact CG-CB 3.99Å; W28-L73 HydrophobicContact CG-CD2 4.09Å; W28-L73 HydrophobicContact CG-CG 4.48Å; W28-L73 HydrophobicContact CH2-CB 4.31Å; W28-L73 HydrophobicContact CZ2-CB 3.85Å; W28-L73 HydrophobicContact CZ3-CB 4.43Å; W28-L73 HydrophobicContact CZ3-CD2 4.25Å; I40-L73 HydrophobicContact CD1-CD2 3.81Å; I40-L73 HydrophobicContact CG2-CD1 4Å; A60-L73 HydrophobicContact CB-CD1 3.75Å; L62-L73 HydrophobicContact CD2-CB 4.06Å; L62-L73 HydrophobicContact CD2-CD1 3.81Å; L73-L75 HydrophobicContact CD1-CD2 4.06Å; L73-L75 HydrophobicContact CD1-CG 4.38Å; L73-L75 HydrophobicContact CD2-CD1 4.31Å; L73-L75 HydrophobicContact CD2-CD2 4.36Å; L73-L75 HydrophobicContact CD2-CG 4.23Å; L73-L75 HydrophobicContact CG-CD2 4.3Å; L73-L75 HydrophobicContact CG-CG 4.11Å; L73-Y86 HydrophobicContact CD2-CD1 3.94Å; L73-Y86 HydrophobicContact CD2-CE1 4.48Å
74E97.4Very high93Very high61 Ų6149 Ų4929%0.28527%0.265SS..EExtended strand (participates in β ladder)trans-101.4122.8169.6-174-178.7174.900109.1V10 A60 K61V10-E74 CarbonylContact O-C 3.57Å; V10-E74 VanDerWaalsContact O-CA 3.27Å; V10-E74 WeakPolarHBondContact O-CA 3.3Å; A60-E74 CarbonylContact C-O 3.54Å; A60-E74 WeakPolarHBondContact CA-O 3.26Å; K61-E74 HydrophobicContact CB-CB 4.29Å; K61-E74 PolarHBondContact N-O 2.86Å; K61-E74 PolarHBondContact O-N 2.8Å
75L97.1Very high93.3Very high0 Ų047.8 Ų47.80%026%0.258CS..EExtended strand (participates in β ladder)trans-109.3130.7173.6-63.6169.2000108.6S9 V10 M12 A60 L73 L78 Y86 L105S9-L75 CarbonylContact C-O 3.58Å; S9-L75 WeakPolarHBondContact CA-O 3.26Å; S9-L75 WeakPolarHBondContact CB-O 3Å; V10-L75 HydrophobicContact CG1-CB 3.89Å; V10-L75 HydrophobicContact CG1-CD1 4.25Å; V10-L75 HydrophobicContact CG1-CG 4.48Å; V10-L75 PolarHBondContact N-O 3.02Å; V10-L75 PolarHBondContact O-N 3.03Å; M12-L75 HydrophobicContact SD-CD1 4.5Å; A60-L75 HydrophobicContact CB-CD2 3.9Å; L73-L75 HydrophobicContact CD1-CD2 4.06Å; L73-L75 HydrophobicContact CD1-CG 4.38Å; L73-L75 HydrophobicContact CD2-CD1 4.31Å; L73-L75 HydrophobicContact CD2-CD2 4.36Å; L73-L75 HydrophobicContact CD2-CG 4.23Å; L73-L75 HydrophobicContact CG-CD2 4.3Å; L73-L75 HydrophobicContact CG-CG 4.11Å; L75-L78 HydrophobicContact CB-CD2 3.78Å; L75-L78 HydrophobicContact CD1-CD2 4.39Å; L75-Y86 HydrophobicContact CD1-CD1 4.11Å; L75-Y86 HydrophobicContact CD1-CE1 3.41Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.41Å; L75-Y86 HydrophobicContact CD1-CE2 4.24Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.47Å; L75-L105 HydrophobicContact CD1-CD2 4.25Å
76S96.4Very high93.6Very high30 Ų3044 Ų4421%0.2124%0.24CC..  trans-113.5156.3-17862.80000112.3S9 K59 L78S9-S76 WeakPolarHBondContact OG-CA 3.42Å; K59-S76 PolarHBondContact O-N 2.88Å; K59-S76 PolarHBondContact O-OG 3.04Å; S76-L78 PolarHBondContact O-N 3.01Å
77R95.8Very high94Very high170 Ų17041.1 Ų41.164%0.64223%0.226SC*.SBendtrans54.252.9174.5-59.3174.8-73.8177-2.4111.3A8 G58A8-R77 PolarHBondContact O-N 3.35Å; G58-R77 PolarHBondContact O-NH2 2.92Å
78L96.1Very high94.4Very high1 Ų136.6 Ų36.61%0.00520%0.195CC..  trans-62.2140.9-173.9-69.7172.8000112V4 P6 G7 A8 V10 L75 S76 D82 L105 V107V4-L78 HydrophobicContact CG2-CD1 3.5Å; V4-L78 VanDerWaalsContact CG2-CD1 3.5Å; P6-L78 CarbonylContact C-O 3.46Å; P6-L78 WeakPolarHBondContact CA-O 3.27Å; G7-L78 PolarHBondContact N-O 2.82Å; A8-L78 WeakPolarHBondContact O-CB 3.35Å; A8-L78 VanDerWaalsContact O-CG 3.3Å; A8-L78 WeakPolarHBondContact O-CG 3.41Å; A8-L78 PolarHBondContact O-N 3.05Å; V10-L78 HydrophobicContact CB-CD1 4.18Å; V10-L78 HydrophobicContact CG1-CD1 3.82Å; V10-L78 HydrophobicContact CG1-CD2 4.38Å; L75-L78 HydrophobicContact CB-CD2 3.78Å; L75-L78 HydrophobicContact CD1-CD2 4.39Å; S76-L78 PolarHBondContact O-N 3.01Å; L78-D82 VanDerWaalsContact CA-OD2 3.26Å; L78-D82 WeakPolarHBondContact CA-OD2 3.49Å; L78-D82 HydrophobicContact CD2-CB 3.72Å; L78-L105 HydrophobicContact CD1-CD2 4.23Å; L78-L105 HydrophobicContact CD2-CD2 3.98Å; L78-V107 HydrophobicContact CB-CG1 4.11Å; L78-V107 HydrophobicContact CB-CG2 4.04Å; L78-V107 HydrophobicContact CD1-CG2 4.31Å
79T95.3Very high94.6Very high57 Ų5735.3 Ų35.335%0.3519%0.186SC..  trans-122.1167.8173.363.40000109.5D81 D82 V107T79-D81 PolarHBondContact O-N 3.46Å; T79-D81 VanDerWaalsContact O-N 3.09Å; T79-D82 PolarHBondContact N-OD2 3.02Å; T79-D82 WeakPolarHBondContact O-CB 3.01Å; T79-D82 PolarHBondContact O-N 3.03Å; T79-D82 PolarHBondContact OG1-OD2 2.85Å; T79-V107 WeakPolarHBondContact O-CB 3.4Å; T79-V107 WeakPolarHBondContact O-CG2 2.9Å
80S93.8Very high94.6Very high77 Ų7734.9 Ų34.954%0.53818%0.179SC..G310 helixtrans-51.3-34175.351.70000112.7D82 S83S80-D82 PolarHBondContact O-N 2.91Å; S80-S83 VanDerWaalsContact O-CB 3.26Å; S80-S83 WeakPolarHBondContact O-CB 3.35Å; S80-S83 PolarHBondContact O-N 2.82Å; S80-S83 PolarHBondContact O-OG 2.83Å
81D92.1Very high94.2Very high121 Ų12135.8 Ų35.865%0.64719%0.185SC*.G310 helixtrans-66.4-17179.8-63.9-16.3000113.5K30 T79 S83K30-D81 PolarHBondContact NZ-O 2.79Å; T79-D81 PolarHBondContact O-N 3.46Å; T79-D81 VanDerWaalsContact O-N 3.09Å; D81-S83 VanDerWaalsContact C-N 3.26Å
82D94.4Very high93.5Very high6 Ų636.9 Ų36.93%0.03220%0.197CC..G310 helixtrans-81-6.1173.9-58.2-49.4000113K59 L78 T79 S80 A84 Y86 V107K59-D82 VanDerWaalsContact CE-CG 3.46Å; K59-D82 WeakPolarHBondContact CE-OD1 3.38Å; K59-D82 WeakPolarHBondContact CE-OD2 3.4Å; K59-D82 IonicContact NZ-OD1 3.29Å; K59-D82 PolarHBondContact NZ-OD1 3.21Å; K59-D82 IonicContact NZ-OD2 2.96Å; K59-D82 PolarHBondContact NZ-OD2 3.4Å; L78-D82 VanDerWaalsContact CA-OD2 3.26Å; L78-D82 WeakPolarHBondContact CA-OD2 3.49Å; L78-D82 HydrophobicContact CD2-CB 3.72Å; T79-D82 PolarHBondContact N-OD2 3.02Å; T79-D82 WeakPolarHBondContact O-CB 3.01Å; T79-D82 PolarHBondContact O-N 3.03Å; T79-D82 PolarHBondContact OG1-OD2 2.85Å; S80-D82 PolarHBondContact O-N 2.91Å; D82-A84 PolarHBondContact O-N 3.27Å; D82-A84 VanDerWaalsContact O-N 3.1Å; D82-Y86 WeakPolarHBondContact O-CE2 3.38Å; D82-Y86 PolarHBondContact O-OH 2.87Å; D82-V107 HydrophobicContact CB-CG2 4.19Å
83S95.6Very high92.3Very high33 Ų3345.1 Ų45.123%0.23123%0.229CC..  trans-64.4113.4173.9-55.80000110.2S80 D81 L105 V107S80-S83 VanDerWaalsContact O-CB 3.26Å; S80-S83 WeakPolarHBondContact O-CB 3.35Å; S80-S83 PolarHBondContact O-N 2.82Å; S80-S83 PolarHBondContact O-OG 2.83Å; D81-S83 VanDerWaalsContact C-N 3.26Å; S83-L105 CarbonylContact C-O 3.59Å; S83-L105 VanDerWaalsContact CA-O 3.29Å; S83-L105 WeakPolarHBondContact CA-O 2.94Å; S83-V107 PolarHBondContact OG-N 3.08Å
84A96.3Very high91.3Very high0 Ų053.3 Ų53.30%027%0.273CS..EExtended strand (participates in β ladder)trans-169.1174.8-171.700000110.7K30 Q31 D82 Y86 L105K30-A84 HydrophobicContact CD-CB 4.15Å; K30-A84 HydrophobicContact CG-CB 3.6Å; Q31-A84 VanDerWaalsContact O-CB 3.27Å; Q31-A84 WeakPolarHBondContact O-CB 3.19Å; D82-A84 PolarHBondContact O-N 3.27Å; D82-A84 VanDerWaalsContact O-N 3.1Å; A84-Y86 HydrophobicContact CB-CD2 4.38Å; A84-Y86 HydrophobicContact CB-CE2 3.85Å; A84-L105 PolarHBondContact N-O 3.19Å; A84-L105 PolarHBondContact O-N 2.65Å
85V96.4Very high90.3Very high21 Ų2152.3 Ų52.313%0.12728%0.279CS..EExtended strand (participates in β ladder)trans-98127163.8-168.30000108.7Q31 Y87Q31-V85 PolarHBondContact N-O 3.01Å; Q31-V85 PolarHBondContact O-N 2.82Å; V85-Y87 HydrophobicContact CB-CE2 3.69Å; V85-Y87 HydrophobicContact CG1-CD2 4.19Å; V85-Y87 HydrophobicContact CG1-CE1 4.03Å; V85-Y87 HydrophobicContact CG1-CE2 3.46Å; V85-Y87 VanDerWaalsContact CG1-CE2 3.46Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.29Å
86Y96.4Very high89.2Confident1 Ų156 Ų560%0.00429%0.294CS..EExtended strand (participates in β ladder)trans-104.5126.2178.6-68.1-99.3000109.4M12 M29 K30 I40 L73 L75 D82 A84 G102 T103 L105M12-Y86 HydrophobicContact CE-CD2 4.13Å; M12-Y86 HydrophobicContact CE-CG 4Å; M12-Y86 HydrophobicContact SD-CD1 4.43Å; M12-Y86 HydrophobicContact SD-CD2 4.19Å; M12-Y86 HydrophobicContact SD-CG 3.92Å; M29-Y86 CarbonylContact O-C 3.56Å; M29-Y86 WeakPolarHBondContact O-CA 3.27Å; K30-Y86 HydrophobicContact CB-CD1 4.27Å; K30-Y86 HydrophobicContact CB-CE1 4.04Å; K30-Y86 HydrophobicContact CD-CE1 4.03Å; K30-Y86 WeakPolarHBondContact CE-OH 3.46Å; K30-Y86 HydrophobicContact CG-CD1 4.28Å; K30-Y86 HydrophobicContact CG-CE1 3.77Å; K30-Y86 HydrophobicContact CG-CE2 4.47Å; I40-Y86 HydrophobicContact CD1-CD1 3.6Å; I40-Y86 HydrophobicContact CD1-CE1 3.79Å; L73-Y86 HydrophobicContact CD2-CD1 3.94Å; L73-Y86 HydrophobicContact CD2-CE1 4.48Å; L75-Y86 HydrophobicContact CD1-CD1 4.11Å; L75-Y86 HydrophobicContact CD1-CE1 3.41Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.41Å; L75-Y86 HydrophobicContact CD1-CE2 4.24Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.47Å; D82-Y86 WeakPolarHBondContact O-CE2 3.38Å; D82-Y86 PolarHBondContact O-OH 2.87Å; A84-Y86 HydrophobicContact CB-CD2 4.38Å; A84-Y86 HydrophobicContact CB-CE2 3.85Å; Y86-G102 CarbonylContact O-C 3.58Å; Y86-G102 VanDerWaalsContact O-CA 3.24Å; Y86-G102 WeakPolarHBondContact O-CA 3.28Å; Y86-T103 PolarHBondContact N-O 3.49Å; Y86-T103 PolarHBondContact O-N 3.4Å; Y86-L105 HydrophobicContact CD2-CB 3.97Å; Y86-L105 HydrophobicContact CD2-CD2 4.48Å; Y86-L105 HydrophobicContact CE2-CB 3.79Å; Y86-L105 HydrophobicContact CE2-CD2 3.76Å; Y86-L105 HydrophobicContact CE2-CG 4.41Å
87Y94.8Very high88.3Confident49 Ų4959.2 Ų59.219%0.19231%0.308CS..EExtended strand (participates in β ladder)trans-113.3145.1179.8-63.2-86.7000109.5W28 M29 Q31 V85 W99 G100 G102W28-Y87 CarbonylContact C-O 3.59Å; W28-Y87 WeakPolarHBondContact CA-O 3.38Å; M29-Y87 PolarHBondContact N-O 2.84Å; M29-Y87 PolarHBondContact O-N 2.76Å; Q31-Y87 HydrophobicContact CB-CD2 4.18Å; Q31-Y87 HydrophobicContact CB-CE2 3.76Å; Q31-Y87 PolarHBondContact OE1-OH 2.79Å; V85-Y87 HydrophobicContact CB-CE2 3.69Å; V85-Y87 HydrophobicContact CG1-CD2 4.19Å; V85-Y87 HydrophobicContact CG1-CE1 4.03Å; V85-Y87 HydrophobicContact CG1-CE2 3.46Å; V85-Y87 VanDerWaalsContact CG1-CE2 3.46Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.29Å; Y87-W99 HydrophobicContact CD1-CE3 4.4Å; Y87-W99 HydrophobicContact CG-CE3 4.12Å; Y87-W99 HydrophobicContact CG-CZ3 4.37Å; Y87-G100 WeakPolarHBondContact CD1-O 3.23Å; Y87-G102 VanDerWaalsContact CE1-CA 3.48Å
88C93.3Very high87.8Confident17 Ų1757.6 Ų57.612%0.11530%0.303CS..EExtended strand (participates in β ladder)trans-97.7148.7154.464.20000109.8C14 I26 E27 W28 G100C14-C88 HydrophobicContact CB-CB 3.35Å; C14-C88 WeakPolarHBondContact CB-SG 3.49Å; C14-C88 WeakPolarHBondContact SG-CB 3.42Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.1Å; I26-C88 HydrophobicContact CG2-CB 4.07Å; E27-C88 CarbonylContact O-C 3.54Å; E27-C88 WeakPolarHBondContact O-CA 3.12Å; W28-C88 HydrophobicContact CD2-CB 4.26Å; W28-C88 HydrophobicContact CE3-CB 4.36Å; W28-C88 HydrophobicContact CH2-CB 4.46Å; W28-C88 HydrophobicContact CZ2-CB 4.36Å; W28-C88 HydrophobicContact CZ3-CB 4.45Å; C88-G100 PolarHBondContact O-N 3.43Å
89A91.8Very high87.5Confident5 Ų563 Ų634%0.04132%0.323CS..EExtended strand (participates in β ladder)trans-143154.1-179.800000111.1E27 Y96 Y98 W99E27-A89 PolarHBondContact N-O 3.36Å; E27-A89 PolarHBondContact O-N 2.98Å; A89-Y96 HydrophobicContact CB-CD1 3.37Å; A89-Y96 HydrophobicContact CB-CE1 3.72Å; A89-Y96 HydrophobicContact CB-CG 4.07Å; A89-Y98 CarbonylContact C-O 3.53Å; A89-Y98 VanDerWaalsContact CA-O 3.23Å; A89-Y98 WeakPolarHBondContact CA-O 2.94Å; A89-W99 HydrophobicContact CB-CD2 3.93Å; A89-W99 HydrophobicContact CB-CE3 3.74Å; A89-W99 HydrophobicContact CB-CH2 4.06Å; A89-W99 HydrophobicContact CB-CZ2 4.34Å; A89-W99 HydrophobicContact CB-CZ3 3.79Å
90R88Confident87.2Confident25 Ų2561.5 Ų61.59%0.09432%0.319CS..EExtended strand (participates in β ladder)trans-108121.8170.9178-174.8157.3-152.1-3.4108.9Y24 Y96 L97 Y98Y24-R90 VanDerWaalsContact CD2-NH2 3.25Å; Y24-R90 VanDerWaalsContact CE1-NH2 3.31Å; Y24-R90 VanDerWaalsContact CG-NE 3.27Å; R90-Y96 WeakPolarHBondContact O-CA 3.45Å; R90-L97 PolarHBondContact O-N 3.21Å; R90-Y98 HydrophobicContact CB-CD2 4.48Å; R90-Y98 PolarHBondContact N-O 2.87Å
91P82.1Confident87.1Confident28 Ų2867.2 Ų67.218%0.18234%0.337CS..EExtended strand (participates in β ladder)trans-72.9149.3172.731.6-32.6000110.4P25 E27 G95 Y96P25-P91 HydrophobicContact CG-CG 3.54Å; P25-P91 WeakPolarHBondContact O-CD 3.46Å; E27-P91 HydrophobicContact CG-CG 4.31Å; P91-G95 CarbonylContact C-O 3.57Å; P91-G95 WeakPolarHBondContact CA-O 3.49Å; P91-Y96 HydrophobicContact CB-CD1 4.49Å; P91-Y96 HydrophobicContact CB-CE1 4.49Å
92G78Confident87.1Confident24 Ų2462.7 Ų62.725%0.24732%0.319CS..EExtended strand (participates in β ladder)trans-131.5-165.5166.100000110.7D94 G95G92-D94 PolarHBondContact O-N 3.35Å; G92-G95 PolarHBondContact N-O 2.69Å
93Y71.1Confident87.2Confident221 Ų22164.8 Ų64.887%0.86733%0.333SS*.THydrogen-bonded Turntrans-62.7-38.1-170.8-73.9-81.5000114
94D74.8Confident87.2Confident173 Ų17365.7 Ų65.793%0.92534%0.337SS*.THydrogen-bonded Turntrans-115.716.3-175.1-58.9-46.8000114G92G92-D94 PolarHBondContact O-N 3.35Å
95G77.3Confident87.2Confident40 Ų4065.7 Ų65.741%0.41234%0.337SS..EExtended strand (participates in β ladder)trans144.1-144.2-177.500000112.9P91 G92P91-G95 CarbonylContact C-O 3.57Å; P91-G95 WeakPolarHBondContact CA-O 3.49Å; G92-G95 PolarHBondContact N-O 2.69Å
96Y74.2Confident87.2Confident78 Ų7867.4 Ų67.431%0.30635%0.347SS..EExtended strand (participates in β ladder)trans-96.2119.2177.6-67.5-77.3000111.1E27 M29 A89 R90 P91 W99E27-Y96 HydrophobicContact CB-CE1 4.33Å; E27-Y96 HydrophobicContact CG-CE1 4.39Å; E27-Y96 WeakPolarHBondContact OE2-CE1 3.29Å; E27-Y96 VanDerWaalsContact OE2-CZ 3.23Å; E27-Y96 PolarHBondContact OE2-OH 3.34Å; M29-Y96 HydrophobicContact CE-CE2 4.35Å; M29-Y96 WeakPolarHBondContact CE-OH 3.26Å; M29-Y96 PolarHBondContact SD-OH 3.39Å; A89-Y96 HydrophobicContact CB-CD1 3.37Å; A89-Y96 HydrophobicContact CB-CE1 3.72Å; A89-Y96 HydrophobicContact CB-CG 4.07Å; R90-Y96 WeakPolarHBondContact O-CA 3.45Å; P91-Y96 HydrophobicContact CB-CD1 4.49Å; P91-Y96 HydrophobicContact CB-CE1 4.49Å; Y96-W99 VanDerWaalsContact CB-NE1 3.29Å; Y96-W99 HydrophobicContact CD1-CZ2 4.25Å; Y96-W99 AromaticContact CD2-CH2 3.8Å; Y96-W99 HydrophobicContact CD2-CH2 3.8Å; Y96-W99 AromaticContact CD2-CZ2 3.26Å; Y96-W99 HydrophobicContact CD2-CZ2 3.26Å; Y96-W99 HydrophobicContact CE2-CH2 4.01Å; Y96-W99 AromaticContact CE2-CZ2 3.94Å; Y96-W99 HydrophobicContact CE2-CZ2 3.94Å; Y96-W99 AromaticContact CG-CE2 3.89Å; Y96-W99 HydrophobicContact CG-CH2 4.06Å; Y96-W99 AromaticContact CG-CZ2 3.43Å; Y96-W99 HydrophobicContact CG-CZ2 3.43Å; Y96-W99 VanDerWaalsContact CG-CZ2 3.43Å
97L77.8Confident87.1Confident97 Ų9767.6 Ų67.651%0.50835%0.349SS..EExtended strand (participates in β ladder)trans-79.8-34.3179.6-69.5172.7000112.3R90R90-L97 PolarHBondContact O-N 3.21Å
98Y84Confident87.1Confident135 Ų13567.8 Ų67.853%0.52936%0.357SS..EExtended strand (participates in β ladder)trans-139.4137.9-175.8-60.5-85000110.6A89 R90A89-Y98 CarbonylContact C-O 3.53Å; A89-Y98 VanDerWaalsContact CA-O 3.23Å; A89-Y98 WeakPolarHBondContact CA-O 2.94Å; R90-Y98 HydrophobicContact CB-CD2 4.48Å; R90-Y98 PolarHBondContact N-O 2.87Å
99W89.3Confident86.6Confident114 Ų11474.3 Ų74.343%0.43240%0.403SS..EExtended strand (participates in β ladder)trans-120.3139.6174.3-68.985.1000109.3M29 L37 Y87 A89 Y96M29-W99 HydrophobicContact CB-CZ3 4.09Å; M29-W99 HydrophobicContact CG-CH2 3.98Å; M29-W99 HydrophobicContact CG-CZ3 3.81Å; L37-W99 HydrophobicContact CD2-CH2 3.38Å; L37-W99 HydrophobicContact CD2-CZ2 4.35Å; L37-W99 HydrophobicContact CD2-CZ3 3.99Å; Y87-W99 HydrophobicContact CD1-CE3 4.4Å; Y87-W99 HydrophobicContact CG-CE3 4.12Å; Y87-W99 HydrophobicContact CG-CZ3 4.37Å; A89-W99 HydrophobicContact CB-CD2 3.93Å; A89-W99 HydrophobicContact CB-CE3 3.74Å; A89-W99 HydrophobicContact CB-CH2 4.06Å; A89-W99 HydrophobicContact CB-CZ2 4.34Å; A89-W99 HydrophobicContact CB-CZ3 3.79Å; Y96-W99 VanDerWaalsContact CB-NE1 3.29Å; Y96-W99 HydrophobicContact CD1-CZ2 4.25Å; Y96-W99 AromaticContact CD2-CH2 3.8Å; Y96-W99 HydrophobicContact CD2-CH2 3.8Å; Y96-W99 AromaticContact CD2-CZ2 3.26Å; Y96-W99 HydrophobicContact CD2-CZ2 3.26Å; Y96-W99 HydrophobicContact CE2-CH2 4.01Å; Y96-W99 AromaticContact CE2-CZ2 3.94Å; Y96-W99 HydrophobicContact CE2-CZ2 3.94Å; Y96-W99 AromaticContact CG-CE2 3.89Å; Y96-W99 HydrophobicContact CG-CH2 4.06Å; Y96-W99 AromaticContact CG-CZ2 3.43Å; Y96-W99 HydrophobicContact CG-CZ2 3.43Å; Y96-W99 VanDerWaalsContact CG-CZ2 3.43Å
100G90.1Very high86.3Confident26 Ų2677.8 Ų77.827%0.26842%0.421SS..  trans-66.5163.5162.500000110.8Y87 C88 G102Y87-G100 WeakPolarHBondContact CD1-O 3.23Å; C88-G100 PolarHBondContact O-N 3.43Å; G100-G102 PolarHBondContact O-N 3.41Å; G100-G102 VanDerWaalsContact O-N 3.1Å
101Q90.9Very high86.2Confident197 Ų19780.5 Ų80.592%0.92144%0.438SS*.  trans-62.9-17.7177.3-67.5-171.2-31.700113.4
102G93.1Very high86.5Confident26 Ų2683.4 Ų83.427%0.26845%0.452SS..  trans82.7151.6-176.700000112.1Y86 Y87 G100Y86-G102 CarbonylContact O-C 3.58Å; Y86-G102 VanDerWaalsContact O-CA 3.24Å; Y86-G102 WeakPolarHBondContact O-CA 3.28Å; Y87-G102 VanDerWaalsContact CE1-CA 3.48Å; G100-G102 PolarHBondContact O-N 3.41Å; G100-G102 VanDerWaalsContact O-N 3.1Å
103T95.1Very high87Confident51 Ų5186.9 Ų86.931%0.31346%0.464SS..EExtended strand (participates in β ladder)trans-124.9116.8176.3-62.30000108.4M12 Y86 L105M12-T103 HydrophobicContact CE-CG2 3.4Å; M12-T103 VanDerWaalsContact CE-CG2 3.4Å; Y86-T103 PolarHBondContact N-O 3.49Å; Y86-T103 PolarHBondContact O-N 3.4Å; T103-L105 PolarHBondContact O-N 3.33Å
104T96.1Very high88Confident52 Ų5278.6 Ų78.632%0.31944%0.439SS..EExtended strand (participates in β ladder)trans-70.6123.4172.7-48.30000109.7A1 E2A1-T104 CarbonylContact C-O 3.47Å; A1-T104 WeakPolarHBondContact CA-O 3.39Å; E2-T104 PolarHBondContact N-O 3.06Å
105L95.9Very high88.8Confident0 Ų072.3 Ų72.30%041%0.406CS..EExtended strand (participates in β ladder)trans-108.9132.4169.3179.566.2000108.2E2 V4 V10 L75 L78 S83 A84 Y86 T103 V107E2-L105 HydrophobicContact CB-CD1 4.13Å; E2-L105 HydrophobicContact CG-CD1 4.41Å; E2-L105 CarbonylContact O-C 3.51Å; E2-L105 WeakPolarHBondContact O-CA 3.2Å; V4-L105 HydrophobicContact CG1-CD1 4.47Å; V4-L105 HydrophobicContact CG2-CD1 3.83Å; V10-L105 HydrophobicContact CB-CD1 4.44Å; V10-L105 HydrophobicContact CG1-CD1 4.21Å; V10-L105 HydrophobicContact CG1-CD2 3.92Å; V10-L105 HydrophobicContact CG2-CD1 4.4Å; L75-L105 HydrophobicContact CD1-CD2 4.25Å; L78-L105 HydrophobicContact CD1-CD2 4.23Å; L78-L105 HydrophobicContact CD2-CD2 3.98Å; S83-L105 CarbonylContact C-O 3.59Å; S83-L105 VanDerWaalsContact CA-O 3.29Å; S83-L105 WeakPolarHBondContact CA-O 2.94Å; A84-L105 PolarHBondContact N-O 3.19Å; A84-L105 PolarHBondContact O-N 2.65Å; Y86-L105 HydrophobicContact CD2-CB 3.97Å; Y86-L105 HydrophobicContact CD2-CD2 4.48Å; Y86-L105 HydrophobicContact CE2-CB 3.79Å; Y86-L105 HydrophobicContact CE2-CD2 3.76Å; Y86-L105 HydrophobicContact CE2-CG 4.41Å; T103-L105 PolarHBondContact O-N 3.33Å; L105-V107 HydrophobicContact CD2-CG2 4.37Å; L105-V107 HydrophobicContact CG-CG2 4.24Å
106T96.3Very high89.7Confident56 Ų5674.6 Ų74.634%0.34441%0.406SS..EExtended strand (participates in β ladder)trans-125.1124.5174.3-58.20000108.7E2 L3 V4E2-T106 PolarHBondContact O-N 3.17Å; L3-T106 WeakPolarHBondContact CA-O 2.86Å; L3-T106 HydrophobicContact CD1-CG2 3.69Å; V4-T106 PolarHBondContact N-O 3.2Å
107V95.8Very high90.9Very high6 Ų674.3 Ų74.34%0.03641%0.414CS..EExtended strand (participates in β ladder)trans-110.6104.9179.5-170.50000108.4V4 P6 L78 T79 D82 S83 L105V4-V107 HydrophobicContact CG2-CB 4.43Å; V4-V107 HydrophobicContact CG2-CG1 4.43Å; V4-V107 HydrophobicContact CG2-CG2 3.87Å; V4-V107 VanDerWaalsContact O-CA 3.31Å; V4-V107 WeakPolarHBondContact O-CA 3.29Å; P6-V107 HydrophobicContact CB-CG1 4.41Å; P6-V107 HydrophobicContact CG-CG1 4.15Å; L78-V107 HydrophobicContact CB-CG1 4.11Å; L78-V107 HydrophobicContact CB-CG2 4.04Å; L78-V107 HydrophobicContact CD1-CG2 4.31Å; T79-V107 WeakPolarHBondContact O-CB 3.4Å; T79-V107 WeakPolarHBondContact O-CG2 2.9Å; D82-V107 HydrophobicContact CB-CG2 4.19Å; S83-V107 PolarHBondContact OG-N 3.08Å; L105-V107 HydrophobicContact CD2-CG2 4.37Å; L105-V107 HydrophobicContact CG-CG2 4.24Å
108S93.3Very high92Very high53 Ų5372.4 Ų72.437%0.37141%0.406SS..  trans-143.7152.6-179.369.10000111.8L3 V4L3-S108 WeakPolarHBondContact CD1-OG 3.41Å; V4-S108 PolarHBondContact O-N 2.75Å
109S83.4Confident92.7Very high153 Ų15366.7 Ų66.7100%1.0740%0.395SS*.  trans-74.60175.5580000112.6

Retrieved 109 of 109 residues in 35.1 ms (Link to these results)

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