X5J5D4_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5D4, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 90 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
1P53.4Low85.1Confident182 Ų18299.8 Ų99.8100%1.18259%0.589SS**  0113.90-1.622.6000110.3
2S67.4Low86Confident104 Ų10494.8 Ų94.873%0.72756%0.557SS**  trans-87.7113.3-180-55.20000109.3
3L81.9Confident86.8Confident175 Ų17593.2 Ų93.292%0.91655%0.549SS*.  trans-89.2119.8173.1-176.267.4000108.7
4V87.8Confident87.5Confident44 Ų4487.1 Ų87.127%0.26751%0.514SS..  trans-114.4134.9177.8-178.40000108.2Q8 L10 V77V4-Q8 HydrophobicContact CG1-CB 3.65Å; V4-L10 HydrophobicContact CG2-CD1 3.78Å; V4-V77 HydrophobicContact CB-CG2 4.49Å; V4-V77 HydrophobicContact CG1-CG2 3.84Å
5K87.9Confident88Confident150 Ų15086.4 Ų86.465%0.65252%0.516SS*.  trans-75.6154.1178.7-61.3-179.4179.5179.30110.1Q8 V77K5-Q8 HydrophobicContact CB-CG 4.13Å; K5-Q8 VanDerWaalsContact O-CB 3.32Å; K5-Q8 WeakPolarHBondContact O-CB 3.41Å; K5-Q8 WeakPolarHBondContact O-CG 3.17Å; K5-Q8 PolarHBondContact O-N 3.38Å; K5-V77 WeakPolarHBondContact O-CG2 3.2Å
6P89.8Confident88.4Confident84 Ų8482.3 Ų82.355%0.54549%0.491SS..THydrogen-bonded Turntrans-52.3149.7172.2-26.435000112.4Q8 V77P6-Q8 PolarHBondContact O-N 3.06Å; P6-Q8 VanDerWaalsContact O-N 3.13Å; P6-V77 CarbonylContact C-O 3.56Å; P6-V77 VanDerWaalsContact CA-O 3.3Å; P6-V77 WeakPolarHBondContact CA-O 3.48Å
7S90.6Very high88.7Confident102 Ų10284 Ų8471%0.71351%0.508SS*.THydrogen-bonded Turntrans67.2-1.3-177.5-50.50000115.8V77S7-V77 PolarHBondContact N-O 3.21Å
8Q93.6Very high88.8Confident98 Ų9884.6 Ų84.646%0.45853%0.534SS..SBendtrans-84.9171.6171.7-59.7-170.1-57.900111.5V4 K5 P6 S76 V77V4-Q8 HydrophobicContact CG1-CB 3.65Å; K5-Q8 HydrophobicContact CB-CG 4.13Å; K5-Q8 VanDerWaalsContact O-CB 3.32Å; K5-Q8 WeakPolarHBondContact O-CB 3.41Å; K5-Q8 WeakPolarHBondContact O-CG 3.17Å; K5-Q8 PolarHBondContact O-N 3.38Å; P6-Q8 PolarHBondContact O-N 3.06Å; P6-Q8 VanDerWaalsContact O-N 3.13Å; Q8-S76 PolarHBondContact O-N 3.15Å; Q8-V77 WeakPolarHBondContact O-CG2 3.44Å; Q8-V77 PolarHBondContact O-N 2.79Å
9T94.3Very high88.8Confident71 Ų7182.7 Ų82.744%0.43652%0.52SS..PPolyproline II helixtrans-93.7125.1172.5-61.50000109.9L74 N75T9-L74 CarbonylContact C-O 3.51Å; T9-L74 WeakPolarHBondContact CA-O 3.27Å; T9-N75 WeakPolarHBondContact CG2-OD1 3.45Å; T9-N75 PolarHBondContact OG1-OD1 3.16Å
10L94.4Very high89Confident16 Ų1680.7 Ų80.78%0.08451%0.508CS..EExtended strand (participates in β ladder)trans-82.5127.2165.7172.967.6000108.6V4 L12 Q73 L74 V77 Y85V4-L10 HydrophobicContact CG2-CD1 3.78Å; L10-L12 HydrophobicContact CD1-CD2 4.01Å; L10-L12 HydrophobicContact CD1-CG 4.07Å; L10-L12 HydrophobicContact CD2-CD1 4.2Å; L10-L12 HydrophobicContact CD2-CG 4.4Å; L10-L12 HydrophobicContact CG-CD1 4.44Å; L10-L12 HydrophobicContact CG-CG 4.11Å; L10-Q73 CarbonylContact O-C 3.56Å; L10-Q73 WeakPolarHBondContact O-CA 3.39Å; L10-L74 HydrophobicContact CB-CB 4.33Å; L10-L74 PolarHBondContact N-O 3.28Å; L10-L74 PolarHBondContact O-N 3.25Å; L10-V77 HydrophobicContact CB-CG1 3.73Å; L10-Y85 HydrophobicContact CD2-CD2 4.36Å; L10-Y85 HydrophobicContact CD2-CE1 3.96Å; L10-Y85 HydrophobicContact CD2-CE2 3.8Å
11S95.4Very high89.1Confident72 Ų7277 Ų7750%0.50349%0.485SS..EExtended strand (participates in β ladder)trans-122.4117.9174.4-173.30000109.4L72S11-L72 CarbonylContact C-O 3.54Å; S11-L72 WeakPolarHBondContact CA-O 3.29Å
12L96.1Very high91Very high39 Ų3971.3 Ų71.320%0.20445%0.447CS..EExtended strand (participates in β ladder)trans-117.7148.5176.8-62.3177.1000110.2L10 W28 F71 L72 Y85L10-L12 HydrophobicContact CD1-CD2 4.01Å; L10-L12 HydrophobicContact CD1-CG 4.07Å; L10-L12 HydrophobicContact CD2-CD1 4.2Å; L10-L12 HydrophobicContact CD2-CG 4.4Å; L10-L12 HydrophobicContact CG-CD1 4.44Å; L10-L12 HydrophobicContact CG-CG 4.11Å; L12-W28 HydrophobicContact CB-CH2 3.76Å; L12-W28 HydrophobicContact CB-CZ2 4.48Å; L12-W28 HydrophobicContact CB-CZ3 4.12Å; L12-W28 HydrophobicContact CD1-CZ3 4.21Å; L12-F71 CarbonylContact O-C 3.58Å; L12-F71 WeakPolarHBondContact O-CA 3.23Å; L12-F71 WeakPolarHBondContact O-CB 3.41Å; L12-L72 HydrophobicContact CB-CB 4.3Å; L12-L72 HydrophobicContact CD1-CD2 4.28Å; L12-L72 PolarHBondContact N-O 3.36Å; L12-L72 PolarHBondContact O-N 2.88Å; L12-Y85 HydrophobicContact CD1-CD1 3.86Å; L12-Y85 HydrophobicContact CD1-CD2 4.03Å; L12-Y85 HydrophobicContact CD1-CG 3.47Å; L12-Y85 VanDerWaalsContact CD1-CG 3.47Å
13T96.5Very high92.1Very high74 Ų7469 Ų6945%0.45443%0.431SS..EExtended strand (participates in β ladder)trans-121.3129.7178.7-54.80000109.1Q69 F71T13-Q69 HydrophobicContact CG2-CB 4.43Å; T13-Q69 HydrophobicContact CG2-CG 4.13Å; T13-F71 HydrophobicContact CG2-CD1 3.87Å; T13-F71 HydrophobicContact CG2-CE1 3.45Å; T13-F71 VanDerWaalsContact CG2-CE1 3.45Å; T13-F71 HydrophobicContact CG2-CZ 4.15Å; T13-F71 VanDerWaalsContact OG1-CD1 3.24Å; T13-F71 WeakPolarHBondContact OG1-CD1 3.44Å; T13-F71 VanDerWaalsContact OG1-CE1 3.25Å; T13-F71 WeakPolarHBondContact OG1-CE1 3.33Å
14C95.3Very high92.5Very high9 Ų961.4 Ų61.46%0.06139%0.394CS..EExtended strand (participates in β ladder)trans-108.4120.4166.5-172.10000108.8W28 Q69 F70 C87C14-W28 HydrophobicContact CB-CH2 3.97Å; C14-W28 HydrophobicContact CB-CZ2 3.89Å; C14-Q69 VanDerWaalsContact O-CA 3.3Å; C14-Q69 WeakPolarHBondContact O-CA 3.47Å; C14-F70 HydrophobicContact CB-CD1 3.97Å; C14-F70 HydrophobicContact CB-CD2 4.39Å; C14-F70 HydrophobicContact CB-CE1 3.57Å; C14-F70 HydrophobicContact CB-CE2 4.02Å; C14-F70 HydrophobicContact CB-CG 4.38Å; C14-F70 HydrophobicContact CB-CZ 3.62Å; C14-F70 PolarHBondContact N-O 2.87Å; C14-F70 PolarHBondContact O-N 3.15Å; C14-F70 VanDerWaalsContact O-N 3.07Å; C14-F70 WeakPolarHBondContact SG-CE1 3.48Å; C14-F70 VanDerWaalsContact SG-CZ 3.57Å; C14-C87 HydrophobicContact CB-CB 3.48Å; C14-C87 VanDerWaalsContact CB-CB 3.48Å; C14-C87 WeakPolarHBondContact CB-SG 3.38Å; C14-C87 WeakPolarHBondContact SG-CB 3.39Å; C14-C87 CovalentContact SG-SG 2.04Å; C14-C87 PolarHBondContact SG-SG 3.37Å
15S95.8Very high92.7Very high76 Ų7660.5 Ų60.553%0.53139%0.39SS..EExtended strand (participates in β ladder)trans-103.4121.8174.6-54.70000108.9Q69S15-Q69 WeakPolarHBondContact OG-CG 3.4Å; S15-Q69 PolarHBondContact OG-NE2 2.84Å
16V93.8Very high93.1Very high20 Ų2054.4 Ų54.412%0.12136%0.363CS..  trans-91137.9179.3177.80000109.2D19 I21 W26 N68 F70V16-D19 HydrophobicContact CG1-CB 3.98Å; V16-D19 WeakPolarHBondContact CG1-O 3.48Å; V16-I21 HydrophobicContact CB-CG2 3.99Å; V16-I21 HydrophobicContact CG2-CG2 3.62Å; V16-W26 HydrophobicContact CB-CH2 4.2Å; V16-W26 HydrophobicContact CB-CZ2 4.38Å; V16-W26 HydrophobicContact CG1-CH2 3.52Å; V16-W26 HydrophobicContact CG1-CZ2 3.69Å; V16-W26 HydrophobicContact CG1-CZ3 4.41Å; V16-W26 HydrophobicContact CG2-CD2 4.27Å; V16-W26 HydrophobicContact CG2-CE3 4.03Å; V16-W26 HydrophobicContact CG2-CH2 3.53Å; V16-W26 HydrophobicContact CG2-CZ2 3.8Å; V16-W26 HydrophobicContact CG2-CZ3 3.65Å; V16-N68 PolarHBondContact N-O 2.76Å; V16-N68 PolarHBondContact O-ND2 2.92Å; V16-F70 HydrophobicContact CG2-CD1 4.46Å; V16-F70 HydrophobicContact CG2-CE1 3.99Å
17S93.5Very high93.4Very high112 Ų11251 Ų5178%0.78334%0.34SS*.  trans-131.1143.9175.761.50000109.5D19S17-D19 PolarHBondContact O-N 2.78Å
18G91.3Very high93.7Very high95 Ų9546.6 Ų46.698%0.97931%0.308SS*.SBendtrans76.30.5-176.500000115.5
19D89.1Confident93.8Very high49 Ų4943.9 Ų43.926%0.26230%0.296SS..SBendtrans-156.1173.8-179.6-171.817.6000110.1V16 S17 S23 N68 R89V16-D19 HydrophobicContact CG1-CB 3.98Å; V16-D19 WeakPolarHBondContact CG1-O 3.48Å; S17-D19 PolarHBondContact O-N 2.78Å; D19-S23 PolarHBondContact OD1-OG 2.62Å; D19-S23 PolarHBondContact OD2-OG 2.86Å; D19-N68 PolarHBondContact O-ND2 3.39Å; D19-R89 VanDerWaalsContact CG-NH1 3.34Å; D19-R89 IonicContact OD1-CZ 3.62Å; D19-R89 IonicContact OD1-NH1 3.43Å; D19-R89 IonicContact OD1-NH2 2.72Å; D19-R89 IonicContact OD2-CZ 3.8Å; D19-R89 IonicContact OD2-NE 2.77Å; D19-R89 PolarHBondContact OD2-NE 3.26Å; D19-R89 IonicContact OD2-NH1 3.58Å; D19-R89 PolarHBondContact OD2-NH1 3.34Å; D19-R89 IonicContact OD2-NH2 3.62Å
20S91.5Very high94Very high41 Ų4141 Ų4129%0.28728%0.277SS..  trans-109.3140.5177.7-1790000112.5T22 S23 N68S20-T22 PolarHBondContact O-N 2.74Å; S20-T22 PolarHBondContact OG-N 3.24Å; S20-T22 VanDerWaalsContact OG-N 3.12Å; S20-T22 PolarHBondContact OG-OG1 3.3Å; S20-S23 PolarHBondContact O-N 3.12Å; S20-S23 PolarHBondContact O-OG 3.39Å; S20-N68 WeakPolarHBondContact CA-OD1 3.37Å
21I92.6Very high94.1Very high4 Ų442.1 Ų42.12%0.02128%0.282CS..THydrogen-bonded Turntrans-62.4-13170.266.7170.5000113.2V16 R63 T65 N68 Q69 F70V16-I21 HydrophobicContact CB-CG2 3.99Å; V16-I21 HydrophobicContact CG2-CG2 3.62Å; I21-R63 HydrophobicContact CD1-CB 4.09Å; I21-T65 HydrophobicContact CD1-CG2 3.98Å; I21-T65 HydrophobicContact CG1-CG2 4.27Å; I21-N68 PolarHBondContact N-OD1 2.86Å; I21-Q69 WeakPolarHBondContact CD1-O 3.48Å; I21-F70 HydrophobicContact CG2-CD1 3.92Å
22T92.6Very high94.1Very high63 Ų6340.7 Ų40.739%0.38727%0.267SS..THydrogen-bonded Turntrans-1002.6177.965.70000113.6S20 Y45 T65S20-T22 PolarHBondContact O-N 2.74Å; S20-T22 PolarHBondContact OG-N 3.24Å; S20-T22 VanDerWaalsContact OG-N 3.12Å; S20-T22 PolarHBondContact OG-OG1 3.3Å; T22-Y45 WeakPolarHBondContact O-CB 3.47Å; T22-T65 HydrophobicContact CG2-CG2 3.57Å
23S90.7Very high93.9Very high56 Ų5644.1 Ų44.139%0.39229%0.292SS..SBendtrans-90.9-6.5-179.472.30000113.7D19 S20 R89D19-S23 PolarHBondContact OD1-OG 2.62Å; D19-S23 PolarHBondContact OD2-OG 2.86Å; S20-S23 PolarHBondContact O-N 3.12Å; S20-S23 PolarHBondContact O-OG 3.39Å; S23-R89 PolarHBondContact OG-NH2 3Å; S23-R89 VanDerWaalsContact OG-NH2 3.14Å
24G89.8Confident93.7Very high14 Ų1444 Ų4414%0.14431%0.306CS..SBendtrans-171.4-162.7-175.200000112.7N44 Y45G24-N44 CarbonylContact O-C 3.48Å; G24-Y45 WeakPolarHBondContact O-CA 3.45Å; G24-Y45 PolarHBondContact O-N 3.43Å
25S92.9Very high93.5Very high25 Ų2549.4 Ų49.418%0.17533%0.334CS..  trans-100.1141.5175.1-69.30000110.6I43 D90S25-I43 WeakPolarHBondContact CA-O 3.48Å; S25-D90 WeakPolarHBondContact CB-OD2 3.2Å; S25-D90 PolarHBondContact O-N 3.41Å; S25-D90 VanDerWaalsContact O-N 3.1Å
26W95.2Very high93.5Very high23 Ų2352.8 Ų52.89%0.08734%0.339CS..EExtended strand (participates in β ladder)trans-126.7129.2-178.1-66.888.3000110.2V16 Y42 I43 F70 A88 R89V16-W26 HydrophobicContact CB-CH2 4.2Å; V16-W26 HydrophobicContact CB-CZ2 4.38Å; V16-W26 HydrophobicContact CG1-CH2 3.52Å; V16-W26 HydrophobicContact CG1-CZ2 3.69Å; V16-W26 HydrophobicContact CG1-CZ3 4.41Å; V16-W26 HydrophobicContact CG2-CD2 4.27Å; V16-W26 HydrophobicContact CG2-CE3 4.03Å; V16-W26 HydrophobicContact CG2-CH2 3.53Å; V16-W26 HydrophobicContact CG2-CZ2 3.8Å; V16-W26 HydrophobicContact CG2-CZ3 3.65Å; W26-Y42 CarbonylContact O-C 3.59Å; W26-Y42 WeakPolarHBondContact O-CA 3.39Å; W26-Y42 WeakPolarHBondContact O-CB 3.3Å; W26-I43 HydrophobicContact CB-CG2 4.17Å; W26-I43 PolarHBondContact N-O 3.06Å; W26-I43 PolarHBondContact O-N 2.93Å; W26-F70 HydrophobicContact CB-CD1 4.35Å; W26-F70 HydrophobicContact CB-CD2 4.48Å; W26-F70 HydrophobicContact CB-CE1 3.81Å; W26-F70 HydrophobicContact CB-CE2 3.97Å; W26-F70 HydrophobicContact CB-CZ 3.57Å; W26-F70 AromaticContact CD2-CE1 3.89Å; W26-F70 HydrophobicContact CD2-CE1 3.89Å; W26-F70 HydrophobicContact CD2-CZ 4.24Å; W26-F70 AromaticContact CE3-CE1 3.77Å; W26-F70 HydrophobicContact CE3-CE1 3.77Å; W26-F70 AromaticContact CE3-CZ 3.94Å; W26-F70 HydrophobicContact CE3-CZ 3.94Å; W26-F70 HydrophobicContact CG-CD1 4.48Å; W26-F70 AromaticContact CG-CE1 3.93Å; W26-F70 HydrophobicContact CG-CE1 3.93Å; W26-F70 HydrophobicContact CG-CZ 4.14Å; W26-A88 CarbonylContact C-O 3.56Å; W26-A88 WeakPolarHBondContact CA-O 3.34Å; W26-R89 HydrophobicContact CD2-CB 4.41Å; W26-R89 HydrophobicContact CD2-CG 4.37Å; W26-R89 HydrophobicContact CE3-CB 3.98Å; W26-R89 HydrophobicContact CE3-CG 4.41Å; W26-R89 HydrophobicContact CH2-CB 3.87Å; W26-R89 HydrophobicContact CH2-CG 4.04Å; W26-R89 HydrophobicContact CZ2-CB 4.29Å; W26-R89 HydrophobicContact CZ2-CG 3.96Å; W26-R89 HydrophobicContact CZ3-CB 3.7Å; W26-R89 HydrophobicContact CZ3-CG 4.26Å
27N96.1Very high93.6Very high12 Ų1257 Ų576%0.06436%0.36CS..EExtended strand (participates in β ladder)trans-108.4148.6-172.5-65.4-87.9000111.5I29 W39 A41 Y42 C87 A88 D90N27-I29 HydrophobicContact CB-CG1 4.32Å; N27-W39 PolarHBondContact OD1-NE1 3.1Å; N27-A41 WeakPolarHBondContact CA-O 3.04Å; N27-Y42 WeakPolarHBondContact OD1-CB 3.32Å; N27-C87 VanDerWaalsContact O-CA 3.26Å; N27-C87 WeakPolarHBondContact O-CA 3.49Å; N27-A88 PolarHBondContact N-O 3.1Å; N27-A88 PolarHBondContact O-N 3.5Å; N27-D90 VanDerWaalsContact ND2-CG 3.32Å; N27-D90 PolarHBondContact ND2-OD1 2.58Å
28W97.1Very high93.7Very high9 Ų953.8 Ų53.83%0.03433%0.333CS..EExtended strand (participates in β ladder)trans-106.5125.9161-77.2106.3000109.7L12 C14 M40 A41 F70 F71 L72 Y86 C87L12-W28 HydrophobicContact CB-CH2 3.76Å; L12-W28 HydrophobicContact CB-CZ2 4.48Å; L12-W28 HydrophobicContact CB-CZ3 4.12Å; L12-W28 HydrophobicContact CD1-CZ3 4.21Å; C14-W28 HydrophobicContact CB-CH2 3.97Å; C14-W28 HydrophobicContact CB-CZ2 3.89Å; W28-M40 HydrophobicContact CB-CB 4.22Å; W28-M40 WeakPolarHBondContact O-CB 3.42Å; W28-M40 PolarHBondContact O-N 2.89Å; W28-A41 PolarHBondContact N-O 3.06Å; W28-F70 AromaticContact CD1-CE2 3.9Å; W28-F70 HydrophobicContact CD2-CE2 4.33Å; W28-F70 AromaticContact CE2-CD2 3.83Å; W28-F70 AromaticContact CE2-CE2 3.63Å; W28-F70 HydrophobicContact CG-CE2 4.49Å; W28-F70 HydrophobicContact CZ2-CD2 4.14Å; W28-F70 HydrophobicContact CZ2-CE2 4.04Å; W28-F70 AromaticContact NE1-CD2 3.27Å; W28-F70 VanDerWaalsContact NE1-CD2 3.27Å; W28-F70 AromaticContact NE1-CE2 3.37Å; W28-F71 PolarHBondContact NE1-O 2.81Å; W28-L72 HydrophobicContact CB-CD1 4.45Å; W28-L72 HydrophobicContact CB-CD2 4.45Å; W28-L72 HydrophobicContact CD2-CB 3.61Å; W28-L72 HydrophobicContact CD2-CD2 4.05Å; W28-L72 HydrophobicContact CD2-CG 4.32Å; W28-L72 VanDerWaalsContact CE2-CB 3.43Å; W28-L72 HydrophobicContact CE3-CB 4.08Å; W28-L72 HydrophobicContact CE3-CD2 3.98Å; W28-L72 HydrophobicContact CG-CB 4Å; W28-L72 HydrophobicContact CG-CD1 4.22Å; W28-L72 HydrophobicContact CG-CD2 4.26Å; W28-L72 HydrophobicContact CG-CG 4.41Å; W28-L72 HydrophobicContact CH2-CB 4.2Å; W28-L72 HydrophobicContact CZ2-CB 3.75Å; W28-L72 HydrophobicContact CZ3-CB 4.34Å; W28-Y86 WeakPolarHBondContact CA-O 3.47Å; W28-C87 HydrophobicContact CE3-CB 4.28Å; W28-C87 HydrophobicContact CH2-CB 4.25Å; W28-C87 HydrophobicContact CZ2-CB 4.5Å; W28-C87 HydrophobicContact CZ3-CB 4.13Å
29I97Very high93.9Very high42 Ų4253.7 Ų53.722%0.21530%0.303CS..EExtended strand (participates in β ladder)trans-127.1131.3-178.7-55.8169.7000107.9N27 L37 E38 Y86 A88N27-I29 HydrophobicContact CB-CG1 4.32Å; I29-L37 HydrophobicContact CG2-CB 4.27Å; I29-L37 HydrophobicContact CG2-CD2 4.08Å; I29-E38 WeakPolarHBondContact CA-O 3.32Å; I29-Y86 PolarHBondContact N-O 2.79Å; I29-Y86 PolarHBondContact O-N 3.28Å; I29-A88 HydrophobicContact CD1-CB 4.16Å
30R96.5Very high94.3Very high10 Ų1051.3 Ų51.34%0.03829%0.29CS..EExtended strand (participates in β ladder)trans-101.3131.8171.8177.6167.265.5-173.914.2109.8F32 L37 E38 M40 D81 T84 Y85R30-F32 VanDerWaalsContact NE-CZ 3.33Å; R30-L37 CarbonylContact O-C 3.55Å; R30-L37 WeakPolarHBondContact O-CA 3.48Å; R30-E38 IonicContact CZ-OE2 3.08Å; R30-E38 PolarHBondContact N-O 2.82Å; R30-E38 IonicContact NE-OE2 2.92Å; R30-E38 PolarHBondContact NE-OE2 3.08Å; R30-E38 IonicContact NH2-OE1 3.99Å; R30-E38 IonicContact NH2-OE2 3.79Å; R30-E38 PolarHBondContact NH2-OE2 2.87Å; R30-E38 PolarHBondContact O-N 2.59Å; R30-M40 HydrophobicContact CB-CG 3.99Å; R30-M40 HydrophobicContact CB-SD 3.7Å; R30-D81 IonicContact CZ-OD1 3.02Å; R30-D81 VanDerWaalsContact NH1-CB 3.34Å; R30-D81 IonicContact NH1-OD1 2.86Å; R30-D81 PolarHBondContact NH1-OD1 3.48Å; R30-D81 IonicContact NH2-OD1 2.62Å; R30-T84 CarbonylContact C-O 3.58Å; R30-T84 WeakPolarHBondContact CA-O 3.24Å; R30-Y85 HydrophobicContact CB-CD1 4.41Å; R30-Y85 HydrophobicContact CB-CE1 4.29Å; R30-Y85 WeakPolarHBondContact CD-OH 3.36Å; R30-Y85 HydrophobicContact CG-CE1 4.3Å; R30-Y85 PolarHBondContact NH1-OH 3.25Å
31Q97.2Very high94.5Very high40 Ų4049.4 Ų49.419%0.18728%0.277CS..EExtended strand (participates in β ladder)trans-107.9119.6170.7-173.3-178.748.700109.7N35 K36 L37 G83 T84 Y86Q31-N35 PolarHBondContact NE2-OD1 2.87Å; Q31-K36 WeakPolarHBondContact CA-O 3.46Å; Q31-L37 HydrophobicContact CB-CD2 3.69Å; Q31-L37 HydrophobicContact CG-CD2 3.76Å; Q31-G83 CarbonylContact O-C 3.48Å; Q31-G83 WeakPolarHBondContact O-CA 3.3Å; Q31-T84 PolarHBondContact N-O 2.9Å; Q31-T84 PolarHBondContact O-N 3.2Å; Q31-Y86 HydrophobicContact CB-CD2 4.2Å; Q31-Y86 HydrophobicContact CB-CE2 3.67Å; Q31-Y86 PolarHBondContact OE1-OH 2.67Å
32F95.4Very high94.7Very high41 Ų4152.6 Ų52.618%0.1829%0.289CS..  trans-79.3159.9174.6-63.9-82.6000111.6R30 G34 N35 K36 E38 E80R30-F32 VanDerWaalsContact NE-CZ 3.33Å; F32-G34 PolarHBondContact O-N 3Å; F32-N35 PolarHBondContact O-N 2.72Å; F32-K36 HydrophobicContact CB-CB 4.38Å; F32-K36 HydrophobicContact CD2-CB 4.25Å; F32-K36 HydrophobicContact CD2-CD 4.29Å; F32-K36 HydrophobicContact CD2-CG 4.24Å; F32-K36 WeakPolarHBondContact CD2-O 3.23Å; F32-K36 PolarHBondContact N-O 3.43Å; F32-E38 HydrophobicContact CE2-CB 3.68Å; F32-E38 HydrophobicContact CZ-CB 4.45Å; F32-E38 WeakPolarHBondContact CZ-OE2 3.47Å; F32-E80 VanDerWaalsContact CE1-O 3.29Å; F32-E80 WeakPolarHBondContact CE1-O 3.5Å
33P91.9Very high94.8Very high111 Ų11150 Ų5072%0.72127%0.273SS*.THydrogen-bonded Turntrans-49.8129.2161.9-23.834.1000110.2
34G92.9Very high94.9Very high73 Ų7348.8 Ų48.875%0.75326%0.262SS*.THydrogen-bonded Turntrans92.513.9-172.300000115F32 K36F32-G34 PolarHBondContact O-N 3Å; G34-K36 PolarHBondContact O-N 2.93Å; G34-K36 VanDerWaalsContact O-N 3.16Å
35N91.1Very high94.9Very high122 Ų12255.4 Ų55.465%0.65228%0.284SS*.SBendtrans65.811.7171.1-58.6-43.4000116.1Q31 F32 L37Q31-N35 PolarHBondContact NE2-OD1 2.87Å; F32-N35 PolarHBondContact O-N 2.72Å; N35-L37 PolarHBondContact O-N 2.77Å
36K94.8Very high94.8Very high146 Ų14657.2 Ų57.264%0.63530%0.296SS*.  trans-67.3126.3170.2-178.2-177.5176.6-173.60109.3Q31 F32 G34Q31-K36 WeakPolarHBondContact CA-O 3.46Å; F32-K36 HydrophobicContact CB-CB 4.38Å; F32-K36 HydrophobicContact CD2-CB 4.25Å; F32-K36 HydrophobicContact CD2-CD 4.29Å; F32-K36 HydrophobicContact CD2-CG 4.24Å; F32-K36 WeakPolarHBondContact CD2-O 3.23Å; F32-K36 PolarHBondContact N-O 3.43Å; G34-K36 PolarHBondContact O-N 2.93Å; G34-K36 VanDerWaalsContact O-N 3.16Å
37L95.7Very high94.5Very high109 Ų10957.1 Ų57.157%0.57130%0.302SS*.EExtended strand (participates in β ladder)trans-96.1141.1174.9-61.7175.5000110.4I29 R30 Q31 N35I29-L37 HydrophobicContact CG2-CB 4.27Å; I29-L37 HydrophobicContact CG2-CD2 4.08Å; R30-L37 CarbonylContact O-C 3.55Å; R30-L37 WeakPolarHBondContact O-CA 3.48Å; Q31-L37 HydrophobicContact CB-CD2 3.69Å; Q31-L37 HydrophobicContact CG-CD2 3.76Å; N35-L37 PolarHBondContact O-N 2.77Å
38E96.1Very high94.3Very high44 Ų4459.5 Ų59.521%0.20632%0.32CS..EExtended strand (participates in β ladder)trans-130.2122.2170.4174.5-176-124.300109.1I29 R30 F32I29-E38 WeakPolarHBondContact CA-O 3.32Å; R30-E38 IonicContact CZ-OE2 3.08Å; R30-E38 PolarHBondContact N-O 2.82Å; R30-E38 IonicContact NE-OE2 2.92Å; R30-E38 PolarHBondContact NE-OE2 3.08Å; R30-E38 IonicContact NH2-OE1 3.99Å; R30-E38 IonicContact NH2-OE2 3.79Å; R30-E38 PolarHBondContact NH2-OE2 2.87Å; R30-E38 PolarHBondContact O-N 2.59Å; F32-E38 HydrophobicContact CE2-CB 3.68Å; F32-E38 HydrophobicContact CZ-CB 4.45Å; F32-E38 WeakPolarHBondContact CZ-OE2 3.47Å
39W96.4Very high94.1Very high93 Ų9362.9 Ų62.935%0.35234%0.343SS..EExtended strand (participates in β ladder)trans-72.3129.3169176.889.7000109.8N27 Y42 N52N27-W39 PolarHBondContact OD1-NE1 3.1Å; W39-Y42 HydrophobicContact CH2-CD1 4.09Å; W39-Y42 HydrophobicContact CH2-CE1 4.36Å; W39-Y42 AromaticContact CZ2-CD1 3.35Å; W39-Y42 HydrophobicContact CZ2-CD1 3.35Å; W39-Y42 AromaticContact CZ2-CE1 3.88Å; W39-Y42 HydrophobicContact CZ2-CE1 3.88Å; W39-Y42 HydrophobicContact CZ2-CG 4.31Å; W39-N52 HydrophobicContact CE3-CB 3.92Å; W39-N52 HydrophobicContact CZ3-CB 3.98Å; W39-N52 VanDerWaalsContact CZ3-N 3.29Å; W39-N52 WeakPolarHBondContact O-CB 2.99Å; W39-N52 PolarHBondContact O-ND2 2.91Å
40M96.6Very high93.9Very high0 Ų063.2 Ų63.20%035%0.349CS..EExtended strand (participates in β ladder)trans-103-50.2-175-60.8-17475.800112.3W28 R30 N52 L55 I59 L72 L74 Y85W28-M40 HydrophobicContact CB-CB 4.22Å; W28-M40 WeakPolarHBondContact O-CB 3.42Å; W28-M40 PolarHBondContact O-N 2.89Å; R30-M40 HydrophobicContact CB-CG 3.99Å; R30-M40 HydrophobicContact CB-SD 3.7Å; M40-N52 VanDerWaalsContact O-CB 3.3Å; M40-N52 WeakPolarHBondContact O-CB 3.46Å; M40-N52 PolarHBondContact O-N 3.24Å; M40-L55 HydrophobicContact CB-CD1 4.09Å; M40-L55 HydrophobicContact CE-CD1 3.79Å; M40-L55 HydrophobicContact CG-CD1 4.02Å; M40-I59 HydrophobicContact CB-CD1 3.81Å; M40-I59 HydrophobicContact CE-CD1 4.13Å; M40-L72 HydrophobicContact CE-CD1 4.4Å; M40-L72 HydrophobicContact CE-CD2 4.02Å; M40-L72 HydrophobicContact SD-CD2 3.85Å; M40-L74 HydrophobicContact CE-CD2 4.15Å; M40-Y85 HydrophobicContact CE-CD1 4.45Å; M40-Y85 HydrophobicContact CE-CE1 3.75Å; M40-Y85 HydrophobicContact SD-CD1 3.68Å; M40-Y85 HydrophobicContact SD-CE1 3.5Å; M40-Y85 VanDerWaalsContact SD-CE1 3.5Å
41A96.6Very high93.9Very high0 Ų064.1 Ų64.10%036%0.357CS..EExtended strand (participates in β ladder)trans-169.1165-179.400000110.7N27 W28 S50 C51 I59 I61N27-A41 WeakPolarHBondContact CA-O 3.04Å; W28-A41 PolarHBondContact N-O 3.06Å; A41-S50 CarbonylContact C-O 3.52Å; A41-S50 WeakPolarHBondContact CA-O 3.46Å; A41-S50 WeakPolarHBondContact CB-O 3.32Å; A41-C51 HydrophobicContact CB-CB 4.2Å; A41-I59 HydrophobicContact CB-CD1 3.8Å; A41-I61 HydrophobicContact CB-CD1 3.87Å; A41-I61 HydrophobicContact CB-CG1 4.42Å; A41-I61 HydrophobicContact CB-CG2 3.92Å
42Y95.4Very high93.8Very high72 Ų7263.5 Ų63.528%0.28235%0.354SS..EExtended strand (participates in β ladder)trans-138.5156.7166.679.2-70.8000111.5W26 N27 W39 N44 P49 S50 I61W26-Y42 CarbonylContact O-C 3.59Å; W26-Y42 WeakPolarHBondContact O-CA 3.39Å; W26-Y42 WeakPolarHBondContact O-CB 3.3Å; N27-Y42 WeakPolarHBondContact OD1-CB 3.32Å; W39-Y42 HydrophobicContact CH2-CD1 4.09Å; W39-Y42 HydrophobicContact CH2-CE1 4.36Å; W39-Y42 AromaticContact CZ2-CD1 3.35Å; W39-Y42 HydrophobicContact CZ2-CD1 3.35Å; W39-Y42 AromaticContact CZ2-CE1 3.88Å; W39-Y42 HydrophobicContact CZ2-CE1 3.88Å; W39-Y42 HydrophobicContact CZ2-CG 4.31Å; Y42-N44 HydrophobicContact CD2-CB 4.47Å; Y42-N44 HydrophobicContact CE2-CB 4.13Å; Y42-P49 CarbonylContact O-C 3.58Å; Y42-P49 WeakPolarHBondContact O-CA 3.46Å; Y42-S50 WeakPolarHBondContact CE1-OG 3.26Å; Y42-S50 PolarHBondContact N-O 2.88Å; Y42-S50 PolarHBondContact O-N 2.81Å; Y42-I61 VanDerWaalsContact C-CD1 3.47Å; Y42-I61 WeakPolarHBondContact O-CD1 2.97Å
43I94.8Very high93.7Very high8 Ų866.7 Ų66.74%0.04138%0.379CS..EExtended strand (participates in β ladder)trans-119.2126.6167.4-167.7155.6000108.6S25 W26 I61 R63S25-I43 WeakPolarHBondContact CA-O 3.48Å; W26-I43 HydrophobicContact CB-CG2 4.17Å; W26-I43 PolarHBondContact N-O 3.06Å; W26-I43 PolarHBondContact O-N 2.93Å; I43-I61 HydrophobicContact CB-CD1 4.09Å; I43-R63 HydrophobicContact CD1-CB 4.01Å; I43-R63 HydrophobicContact CD1-CG 3.8Å
44N92.9Very high93.7Very high30 Ų3066 Ų6616%0.1638%0.377CS..  trans-81.8175.1176.273.51.9000111.5G24 Y42 S46 G47 S48G24-N44 CarbonylContact O-C 3.48Å; Y42-N44 HydrophobicContact CD2-CB 4.47Å; Y42-N44 HydrophobicContact CE2-CB 4.13Å; N44-S46 VanDerWaalsContact CG-OG 3.25Å; N44-S46 PolarHBondContact ND2-OG 3.05Å; N44-S46 PolarHBondContact O-N 2.93Å; N44-S46 PolarHBondContact OD1-N 3.3Å; N44-S46 VanDerWaalsContact OD1-N 3.15Å; N44-S46 PolarHBondContact OD1-OG 2.89Å; N44-G47 WeakPolarHBondContact O-CA 3.45Å; N44-G47 PolarHBondContact O-N 2.87Å; N44-G47 PolarHBondContact OD1-N 3.37Å; N44-S48 PolarHBondContact N-O 2.04Å; N44-S48 WeakPolarHBondContact OD1-CB 3.39Å; N44-S48 PolarHBondContact OD1-N 3.01Å; N44-S48 PolarHBondContact OD1-O 2.77Å
45Y90.1Very high93.7Very high154 Ų15462.8 Ų62.860%0.60434%0.343SS*.THydrogen-bonded Turntrans-56.8-35178.967.9-89.7000113.1T22 G24 G47 R63T22-Y45 WeakPolarHBondContact O-CB 3.47Å; G24-Y45 WeakPolarHBondContact O-CA 3.45Å; G24-Y45 PolarHBondContact O-N 3.43Å; Y45-G47 PolarHBondContact O-N 3.4Å; Y45-R63 PolarHBondContact O-NH1 2.9Å
46S90.7Very high93.8Very high63 Ų6364.2 Ų64.244%0.44134%0.343SS..THydrogen-bonded Turntrans-73.2-8.5176.865.50000113.3N44 S48 R63N44-S46 VanDerWaalsContact CG-OG 3.25Å; N44-S46 PolarHBondContact ND2-OG 3.05Å; N44-S46 PolarHBondContact O-N 2.93Å; N44-S46 PolarHBondContact OD1-N 3.3Å; N44-S46 VanDerWaalsContact OD1-N 3.15Å; N44-S46 PolarHBondContact OD1-OG 2.89Å; S46-S48 PolarHBondContact OG-OG 3Å; S46-S48 VanDerWaalsContact OG-OG 3.12Å; S46-R63 PolarHBondContact O-NH2 3.33Å
47G89.4Confident93.7Very high20 Ų2062.6 Ų62.621%0.20635%0.35CS..  trans84.212.2-178.100000114N44 Y45 P49N44-G47 WeakPolarHBondContact O-CA 3.45Å; N44-G47 PolarHBondContact O-N 2.87Å; N44-G47 PolarHBondContact OD1-N 3.37Å; Y45-G47 PolarHBondContact O-N 3.4Å; G47-P49 VanDerWaalsContact O-CD 3.3Å; G47-P49 WeakPolarHBondContact O-CD 3.46Å
48S91.4Very high93.7Very high63 Ų6359.9 Ų59.944%0.44133%0.332SS..  trans-79.3115.2176-54.50000108.8N44 S46N44-S48 PolarHBondContact N-O 2.04Å; N44-S48 WeakPolarHBondContact OD1-CB 3.39Å; N44-S48 PolarHBondContact OD1-N 3.01Å; N44-S48 PolarHBondContact OD1-O 2.77Å; S46-S48 PolarHBondContact OG-OG 3Å; S46-S48 VanDerWaalsContact OG-OG 3.12Å
49P92.8Very high93.7Very high80 Ų8058.6 Ų58.652%0.51933%0.326SS..EExtended strand (participates in β ladder)trans-80.9148177.834.2-34.5000110.5Y42 G47 I61Y42-P49 CarbonylContact O-C 3.58Å; Y42-P49 WeakPolarHBondContact O-CA 3.46Å; G47-P49 VanDerWaalsContact O-CD 3.3Å; G47-P49 WeakPolarHBondContact O-CD 3.46Å; P49-I61 HydrophobicContact CB-CD1 3.3Å; P49-I61 HydrophobicContact CB-CG1 3.58Å
50S94.3Very high93.6Very high48 Ų4856.5 Ų56.534%0.33633%0.326SS..EExtended strand (participates in β ladder)trans-139.4140.6162160.10000109.5A41 Y42A41-S50 CarbonylContact C-O 3.52Å; A41-S50 WeakPolarHBondContact CA-O 3.46Å; A41-S50 WeakPolarHBondContact CB-O 3.32Å; Y42-S50 WeakPolarHBondContact CE1-OG 3.26Å; Y42-S50 PolarHBondContact N-O 2.88Å; Y42-S50 PolarHBondContact O-N 2.81Å
51C94.8Very high93.5Very high30 Ų3057.1 Ų57.120%0.20333%0.329CS..EExtended strand (participates in β ladder)trans-130.2151.1-163.6-55.90000110.1A41 P53 I59A41-C51 HydrophobicContact CB-CB 4.2Å; C51-P53 WeakPolarHBondContact O-CD 3.38Å; C51-I59 HydrophobicContact CB-CG2 3.66Å
52N94.9Very high93.4Very high26 Ų2659.4 Ų59.414%0.13934%0.344CS..  trans-56.7123.8170.1-172.4-35.9000109.4W39 M40 S54 L55 K56W39-N52 HydrophobicContact CE3-CB 3.92Å; W39-N52 HydrophobicContact CZ3-CB 3.98Å; W39-N52 VanDerWaalsContact CZ3-N 3.29Å; W39-N52 WeakPolarHBondContact O-CB 2.99Å; W39-N52 PolarHBondContact O-ND2 2.91Å; M40-N52 VanDerWaalsContact O-CB 3.3Å; M40-N52 WeakPolarHBondContact O-CB 3.46Å; M40-N52 PolarHBondContact O-N 3.24Å; N52-S54 PolarHBondContact O-N 2.9Å; N52-S54 VanDerWaalsContact O-N 3.1Å; N52-S54 WeakPolarHBondContact OD1-CB 3.14Å; N52-S54 PolarHBondContact OD1-N 2.8Å; N52-L55 HydrophobicContact CB-CB 4.44Å; N52-L55 HydrophobicContact CB-CD1 4.32Å; N52-L55 HydrophobicContact CB-CG 4.43Å; N52-L55 CarbonylContact O-C 3.53Å; N52-L55 PolarHBondContact O-N 2.89Å; N52-K56 PolarHBondContact O-N 3.1Å
53P94.2Very high93.3Very high108 Ų10860.1 Ų60.170%0.70135%0.346SS*.THydrogen-bonded Turntrans-51.3-36.1-179.4-29.235.9000113.7C51 L55 K56C51-P53 WeakPolarHBondContact O-CD 3.38Å; P53-L55 PolarHBondContact O-N 2.82Å; P53-K56 PolarHBondContact O-N 2.85Å
54S92.1Very high93.3Very high97 Ų9761.7 Ų61.768%0.67836%0.355SS*.THydrogen-bonded Turntrans-66.8-22.4178.8-560000113.7N52N52-S54 PolarHBondContact O-N 2.9Å; N52-S54 VanDerWaalsContact O-N 3.1Å; N52-S54 WeakPolarHBondContact OD1-CB 3.14Å; N52-S54 PolarHBondContact OD1-N 2.8Å
55L93.8Very high93.4Very high5 Ų564 Ų643%0.02637%0.37CS..THydrogen-bonded Turntrans-109.5-7.2-178.3-60176.2000112.7M40 N52 P53 S57 R58 I59M40-L55 HydrophobicContact CB-CD1 4.09Å; M40-L55 HydrophobicContact CE-CD1 3.79Å; M40-L55 HydrophobicContact CG-CD1 4.02Å; N52-L55 HydrophobicContact CB-CB 4.44Å; N52-L55 HydrophobicContact CB-CD1 4.32Å; N52-L55 HydrophobicContact CB-CG 4.43Å; N52-L55 CarbonylContact O-C 3.53Å; N52-L55 PolarHBondContact O-N 2.89Å; P53-L55 PolarHBondContact O-N 2.82Å; L55-S57 PolarHBondContact O-N 3.42Å; L55-R58 PolarHBondContact O-N 3.05Å; L55-I59 HydrophobicContact CB-CB 4.27Å; L55-I59 HydrophobicContact CB-CG2 4.22Å; L55-I59 WeakPolarHBondContact O-CB 3.34Å; L55-I59 VanDerWaalsContact O-CG2 3.23Å; L55-I59 WeakPolarHBondContact O-CG2 3.4Å; L55-I59 PolarHBondContact O-N 3.29Å
56K92Very high93.6Very high153 Ų15361.6 Ų61.667%0.66538%0.376SS*.THydrogen-bonded Turntrans-55.2-31.3-169.3-171.4174.9-179.2179.10114.4N52 P53 R58N52-K56 PolarHBondContact O-N 3.1Å; P53-K56 PolarHBondContact O-N 2.85Å; K56-R58 VanDerWaalsContact C-N 3.34Å
57S93.9Very high93.8Very high111 Ų11164.9 Ų64.978%0.77638%0.382SS*.THydrogen-bonded Turntrans-77.4-18178.258.20000114L55L55-S57 PolarHBondContact O-N 3.42Å
58R95.2Very high94.1Very high53 Ų5365.5 Ų65.520%0.238%0.381CS..THydrogen-bonded Turntrans-116.8-19.1-172.9-59.6-169.1-60.1128.1-2.5113.7L55 K56 L74 N75 S76 D81L55-R58 PolarHBondContact O-N 3.05Å; K56-R58 VanDerWaalsContact C-N 3.34Å; R58-L74 HydrophobicContact CB-CD1 4.01Å; R58-N75 WeakPolarHBondContact CD-O 3.35Å; R58-N75 PolarHBondContact NH1-O 3.13Å; R58-N75 PolarHBondContact O-N 3Å; R58-S76 PolarHBondContact NH1-O 2.81Å; R58-D81 IonicContact CZ-OD1 3.71Å; R58-D81 IonicContact CZ-OD2 3.61Å; R58-D81 IonicContact NH1-OD1 3.66Å; R58-D81 IonicContact NH1-OD2 2.6Å; R58-D81 PolarHBondContact NH1-OD2 2.8Å; R58-D81 IonicContact NH2-OD1 3.3Å; R58-D81 PolarHBondContact NH2-OD1 2.9Å; R58-D81 VanDerWaalsContact NH2-OD1 3.08Å; R58-D81 IonicContact NH2-OD2 3.97Å; R58-D81 PolarHBondContact NH2-OD2 3.12Å
59I95.4Very high94.3Very high16 Ų1664.5 Ų64.58%0.08237%0.369CS..EExtended strand (participates in β ladder)trans-97.2139.9-173.3-161170000112.6M40 A41 C51 L55 L72 Q73 L74M40-I59 HydrophobicContact CB-CD1 3.81Å; M40-I59 HydrophobicContact CE-CD1 4.13Å; A41-I59 HydrophobicContact CB-CD1 3.8Å; C51-I59 HydrophobicContact CB-CG2 3.66Å; L55-I59 HydrophobicContact CB-CB 4.27Å; L55-I59 HydrophobicContact CB-CG2 4.22Å; L55-I59 WeakPolarHBondContact O-CB 3.34Å; L55-I59 VanDerWaalsContact O-CG2 3.23Å; L55-I59 WeakPolarHBondContact O-CG2 3.4Å; L55-I59 PolarHBondContact O-N 3.29Å; I59-L72 HydrophobicContact CD1-CD1 3.53Å; I59-L72 HydrophobicContact CG1-CD1 3.5Å; I59-Q73 CarbonylContact C-O 3.59Å; I59-Q73 WeakPolarHBondContact CA-O 3.37Å; I59-L74 HydrophobicContact CB-CD1 4.44Å
60S94.9Very high94.4Very high50 Ų5060.8 Ų60.835%0.3535%0.345SS..EExtended strand (participates in β ladder)trans-139.4140.5169.9175.60000109.3Q73S60-Q73 PolarHBondContact N-O 3.37Å; S60-Q73 PolarHBondContact O-N 2.83Å
61I95.1Very high94.5Very high12 Ų1260.5 Ų60.56%0.06234%0.338CS..  trans-12970.2-175.746.1161.5000111.3A41 Y42 I43 P49 F71 L72A41-I61 HydrophobicContact CB-CD1 3.87Å; A41-I61 HydrophobicContact CB-CG1 4.42Å; A41-I61 HydrophobicContact CB-CG2 3.92Å; Y42-I61 VanDerWaalsContact C-CD1 3.47Å; Y42-I61 WeakPolarHBondContact O-CD1 2.97Å; I43-I61 HydrophobicContact CB-CD1 4.09Å; P49-I61 HydrophobicContact CB-CD1 3.3Å; P49-I61 HydrophobicContact CB-CG1 3.58Å; I61-F71 VanDerWaalsContact CA-O 3.27Å; I61-F71 WeakPolarHBondContact CA-O 3.3Å; I61-L72 HydrophobicContact CG2-CD1 4Å
62P93.8Very high94.6Very high48 Ų4859.1 Ų59.131%0.31233%0.328SS..  trans-68157.517823.9-23.5000110.9F71P62-F71 HydrophobicContact CG-CB 3.93Å; P62-F71 HydrophobicContact CG-CD2 4.4Å; P62-F71 HydrophobicContact CG-CG 4.5Å; P62-F71 WeakPolarHBondContact O-CD2 3.17Å; P62-F71 PolarHBondContact O-N 2.79Å
63R93.9Very high94.6Very high88 Ų8861.2 Ų61.233%0.33234%0.337SS..EExtended strand (participates in β ladder)trans-130147.7174.266.7170.7-172.5171.92.3111.7I21 I43 Y45 S46 F70I21-R63 HydrophobicContact CD1-CB 4.09Å; I43-R63 HydrophobicContact CD1-CB 4.01Å; I43-R63 HydrophobicContact CD1-CG 3.8Å; Y45-R63 PolarHBondContact O-NH1 2.9Å; S46-R63 PolarHBondContact O-NH2 3.33Å; R63-F70 HydrophobicContact CB-CB 4.16Å
64D94.6Very high94.7Very high41 Ų4156.1 Ų56.122%0.21930%0.304CS..EExtended strand (participates in β ladder)trans-123.197.9171.5-174.7-15.8000108.4S66 K67 N68 Q69 F71D64-S66 PolarHBondContact O-N 3.3Å; D64-S66 WeakPolarHBondContact OD1-CB 3.4Å; D64-S66 PolarHBondContact OD1-N 3.43Å; D64-S66 PolarHBondContact OD1-OG 3.14Å; D64-K67 HydrophobicContact CB-CB 4.41Å; D64-K67 PolarHBondContact O-N 2.87Å; D64-K67 PolarHBondContact OD1-N 2.68Å; D64-K67 WeakPolarHBondContact OD2-CD 3.05Å; D64-K67 WeakPolarHBondContact OD2-CE 3.36Å; D64-K67 WeakPolarHBondContact OD2-CG 3.37Å; D64-K67 IonicContact OD2-NZ 3.93Å; D64-N68 PolarHBondContact O-N 2.84Å; D64-N68 VanDerWaalsContact O-N 3.1Å; D64-Q69 PolarHBondContact N-O 3.2Å; D64-Q69 PolarHBondContact O-N 3.06Å; D64-F71 HydrophobicContact CB-CE2 3.98Å
65T93.4Very high94.9Very high79 Ų7954.4 Ų54.449%0.48529%0.287SS..THydrogen-bonded Turntrans-69.8-22.8-18053.50000112.6I21 T22 K67I21-T65 HydrophobicContact CD1-CG2 3.98Å; I21-T65 HydrophobicContact CG1-CG2 4.27Å; T22-T65 HydrophobicContact CG2-CG2 3.57Å; T65-K67 VanDerWaalsContact C-N 3.29Å; T65-K67 PolarHBondContact O-N 2.6Å
66S94.4Very high94.9Very high103 Ų10357.5 Ų57.572%0.7231%0.309SS*.THydrogen-bonded Turntrans-70.9-29.2176.976.60000112.1D64D64-S66 PolarHBondContact O-N 3.3Å; D64-S66 WeakPolarHBondContact OD1-CB 3.4Å; D64-S66 PolarHBondContact OD1-N 3.43Å; D64-S66 PolarHBondContact OD1-OG 3.14Å
67K95.8Very high95Very high131 Ų13150.7 Ų50.757%0.5728%0.28SS*.THydrogen-bonded Turntrans-1030.3178.6-62.7-176.6-169164.60113.9D64 T65 Q69D64-K67 HydrophobicContact CB-CB 4.41Å; D64-K67 PolarHBondContact O-N 2.87Å; D64-K67 PolarHBondContact OD1-N 2.68Å; D64-K67 WeakPolarHBondContact OD2-CD 3.05Å; D64-K67 WeakPolarHBondContact OD2-CE 3.36Å; D64-K67 WeakPolarHBondContact OD2-CG 3.37Å; D64-K67 IonicContact OD2-NZ 3.93Å; T65-K67 VanDerWaalsContact C-N 3.29Å; T65-K67 PolarHBondContact O-N 2.6Å; K67-Q69 HydrophobicContact CB-CB 4.27Å; K67-Q69 HydrophobicContact CB-CG 4.16Å; K67-Q69 WeakPolarHBondContact O-CG 3.18Å; K67-Q69 PolarHBondContact O-N 3.07Å
68N95.1Very high95Very high33 Ų3348 Ų4818%0.17626%0.26CS..THydrogen-bonded Turntrans54.543-174.1-156.936.4000112.8V16 D19 S20 I21 D64V16-N68 PolarHBondContact N-O 2.76Å; V16-N68 PolarHBondContact O-ND2 2.92Å; D19-N68 PolarHBondContact O-ND2 3.39Å; S20-N68 WeakPolarHBondContact CA-OD1 3.37Å; I21-N68 PolarHBondContact N-OD1 2.86Å; D64-N68 PolarHBondContact O-N 2.84Å; D64-N68 VanDerWaalsContact O-N 3.1Å
69Q95.9Very high94.8Very high43 Ų4350.1 Ų50.120%0.20128%0.28CS..EExtended strand (participates in β ladder)trans-126.1147.8-174-78.8171.9-9.200112T13 C14 S15 I21 D64 K67 F71T13-Q69 HydrophobicContact CG2-CB 4.43Å; T13-Q69 HydrophobicContact CG2-CG 4.13Å; C14-Q69 VanDerWaalsContact O-CA 3.3Å; C14-Q69 WeakPolarHBondContact O-CA 3.47Å; S15-Q69 WeakPolarHBondContact OG-CG 3.4Å; S15-Q69 PolarHBondContact OG-NE2 2.84Å; I21-Q69 WeakPolarHBondContact CD1-O 3.48Å; D64-Q69 PolarHBondContact N-O 3.2Å; D64-Q69 PolarHBondContact O-N 3.06Å; K67-Q69 HydrophobicContact CB-CB 4.27Å; K67-Q69 HydrophobicContact CB-CG 4.16Å; K67-Q69 WeakPolarHBondContact O-CG 3.18Å; K67-Q69 PolarHBondContact O-N 3.07Å; Q69-F71 HydrophobicContact CB-CE2 4.08Å; Q69-F71 HydrophobicContact CB-CZ 3.97Å
70F95Very high94.6Very high2 Ų256.9 Ų56.91%0.00931%0.311CS..EExtended strand (participates in β ladder)trans-136.4153.4165.667.1-79.1000109.9C14 V16 I21 W26 W28 R63 C87C14-F70 HydrophobicContact CB-CD1 3.97Å; C14-F70 HydrophobicContact CB-CD2 4.39Å; C14-F70 HydrophobicContact CB-CE1 3.57Å; C14-F70 HydrophobicContact CB-CE2 4.02Å; C14-F70 HydrophobicContact CB-CG 4.38Å; C14-F70 HydrophobicContact CB-CZ 3.62Å; C14-F70 PolarHBondContact N-O 2.87Å; C14-F70 PolarHBondContact O-N 3.15Å; C14-F70 VanDerWaalsContact O-N 3.07Å; C14-F70 WeakPolarHBondContact SG-CE1 3.48Å; C14-F70 VanDerWaalsContact SG-CZ 3.57Å; V16-F70 HydrophobicContact CG2-CD1 4.46Å; V16-F70 HydrophobicContact CG2-CE1 3.99Å; I21-F70 HydrophobicContact CG2-CD1 3.92Å; W26-F70 HydrophobicContact CB-CD1 4.35Å; W26-F70 HydrophobicContact CB-CD2 4.48Å; W26-F70 HydrophobicContact CB-CE1 3.81Å; W26-F70 HydrophobicContact CB-CE2 3.97Å; W26-F70 HydrophobicContact CB-CZ 3.57Å; W26-F70 AromaticContact CD2-CE1 3.89Å; W26-F70 HydrophobicContact CD2-CE1 3.89Å; W26-F70 HydrophobicContact CD2-CZ 4.24Å; W26-F70 AromaticContact CE3-CE1 3.77Å; W26-F70 HydrophobicContact CE3-CE1 3.77Å; W26-F70 AromaticContact CE3-CZ 3.94Å; W26-F70 HydrophobicContact CE3-CZ 3.94Å; W26-F70 HydrophobicContact CG-CD1 4.48Å; W26-F70 AromaticContact CG-CE1 3.93Å; W26-F70 HydrophobicContact CG-CE1 3.93Å; W26-F70 HydrophobicContact CG-CZ 4.14Å; W28-F70 AromaticContact CD1-CE2 3.9Å; W28-F70 HydrophobicContact CD2-CE2 4.33Å; W28-F70 AromaticContact CE2-CD2 3.83Å; W28-F70 AromaticContact CE2-CE2 3.63Å; W28-F70 HydrophobicContact CG-CE2 4.49Å; W28-F70 HydrophobicContact CZ2-CD2 4.14Å; W28-F70 HydrophobicContact CZ2-CE2 4.04Å; W28-F70 AromaticContact NE1-CD2 3.27Å; W28-F70 VanDerWaalsContact NE1-CD2 3.27Å; W28-F70 AromaticContact NE1-CE2 3.37Å; R63-F70 HydrophobicContact CB-CB 4.16Å; F70-C87 HydrophobicContact CE1-CB 4.49Å; F70-C87 HydrophobicContact CE2-CB 4Å; F70-C87 HydrophobicContact CZ-CB 3.56Å
71F95.9Very high94.5Very high42 Ų4254.9 Ų54.918%0.18430%0.296CS..EExtended strand (participates in β ladder)trans-122.3156.9-167-54.5-94000110.2L12 T13 W28 I61 P62 D64 Q69L12-F71 CarbonylContact O-C 3.58Å; L12-F71 WeakPolarHBondContact O-CA 3.23Å; L12-F71 WeakPolarHBondContact O-CB 3.41Å; T13-F71 HydrophobicContact CG2-CD1 3.87Å; T13-F71 HydrophobicContact CG2-CE1 3.45Å; T13-F71 VanDerWaalsContact CG2-CE1 3.45Å; T13-F71 HydrophobicContact CG2-CZ 4.15Å; T13-F71 VanDerWaalsContact OG1-CD1 3.24Å; T13-F71 WeakPolarHBondContact OG1-CD1 3.44Å; T13-F71 VanDerWaalsContact OG1-CE1 3.25Å; T13-F71 WeakPolarHBondContact OG1-CE1 3.33Å; W28-F71 PolarHBondContact NE1-O 2.81Å; I61-F71 VanDerWaalsContact CA-O 3.27Å; I61-F71 WeakPolarHBondContact CA-O 3.3Å; P62-F71 HydrophobicContact CG-CB 3.93Å; P62-F71 HydrophobicContact CG-CD2 4.4Å; P62-F71 HydrophobicContact CG-CG 4.5Å; P62-F71 WeakPolarHBondContact O-CD2 3.17Å; P62-F71 PolarHBondContact O-N 2.79Å; D64-F71 HydrophobicContact CB-CE2 3.98Å; Q69-F71 HydrophobicContact CB-CE2 4.08Å; Q69-F71 HydrophobicContact CB-CZ 3.97Å
72L96.6Very high94.5Very high0 Ų058.6 Ų58.60%032%0.32CS..EExtended strand (participates in β ladder)trans-118.6120.7165.2174.368.2000107.9S11 L12 W28 M40 I59 I61 Y85S11-L72 CarbonylContact C-O 3.54Å; S11-L72 WeakPolarHBondContact CA-O 3.29Å; L12-L72 HydrophobicContact CB-CB 4.3Å; L12-L72 HydrophobicContact CD1-CD2 4.28Å; L12-L72 PolarHBondContact N-O 3.36Å; L12-L72 PolarHBondContact O-N 2.88Å; W28-L72 HydrophobicContact CB-CD1 4.45Å; W28-L72 HydrophobicContact CB-CD2 4.45Å; W28-L72 HydrophobicContact CD2-CB 3.61Å; W28-L72 HydrophobicContact CD2-CD2 4.05Å; W28-L72 HydrophobicContact CD2-CG 4.32Å; W28-L72 VanDerWaalsContact CE2-CB 3.43Å; W28-L72 HydrophobicContact CE3-CB 4.08Å; W28-L72 HydrophobicContact CE3-CD2 3.98Å; W28-L72 HydrophobicContact CG-CB 4Å; W28-L72 HydrophobicContact CG-CD1 4.22Å; W28-L72 HydrophobicContact CG-CD2 4.26Å; W28-L72 HydrophobicContact CG-CG 4.41Å; W28-L72 HydrophobicContact CH2-CB 4.2Å; W28-L72 HydrophobicContact CZ2-CB 3.75Å; W28-L72 HydrophobicContact CZ3-CB 4.34Å; M40-L72 HydrophobicContact CE-CD1 4.4Å; M40-L72 HydrophobicContact CE-CD2 4.02Å; M40-L72 HydrophobicContact SD-CD2 3.85Å; I59-L72 HydrophobicContact CD1-CD1 3.53Å; I59-L72 HydrophobicContact CG1-CD1 3.5Å; I61-L72 HydrophobicContact CG2-CD1 4Å; L72-Y85 HydrophobicContact CD2-CD1 3.58Å; L72-Y85 HydrophobicContact CD2-CE1 3.89Å
73Q95.8Very high94.5Very high71 Ų7157.6 Ų57.633%0.33232%0.319SS..EExtended strand (participates in β ladder)trans-110.2119.3168.6-68.3-178.3-17.500108.3L10 I59 S60L10-Q73 CarbonylContact O-C 3.56Å; L10-Q73 WeakPolarHBondContact O-CA 3.39Å; I59-Q73 CarbonylContact C-O 3.59Å; I59-Q73 WeakPolarHBondContact CA-O 3.37Å; S60-Q73 PolarHBondContact N-O 3.37Å; S60-Q73 PolarHBondContact O-N 2.83Å
74L95.8Very high94.6Very high0 Ų056.8 Ų56.80%032%0.323CS..EExtended strand (participates in β ladder)trans-118.8110.5174.3-17767000108.6T9 L10 M40 R58 I59 V77 D81T9-L74 CarbonylContact C-O 3.51Å; T9-L74 WeakPolarHBondContact CA-O 3.27Å; L10-L74 HydrophobicContact CB-CB 4.33Å; L10-L74 PolarHBondContact N-O 3.28Å; L10-L74 PolarHBondContact O-N 3.25Å; M40-L74 HydrophobicContact CE-CD2 4.15Å; R58-L74 HydrophobicContact CB-CD1 4.01Å; I59-L74 HydrophobicContact CB-CD1 4.44Å; L74-V77 HydrophobicContact CB-CG1 4.33Å; L74-V77 HydrophobicContact CD2-CG1 4.01Å; L74-V77 HydrophobicContact CG-CG1 4.03Å; L74-V77 WeakPolarHBondContact O-CG1 3.33Å; L74-D81 HydrophobicContact CD2-CB 3.97Å
75N95.6Very high94.6Very high62 Ų6257 Ų5733%0.33232%0.321SS..  trans-83.1153-179-64.3-41.3000111.5T9 R58 V77T9-N75 WeakPolarHBondContact CG2-OD1 3.45Å; T9-N75 PolarHBondContact OG1-OD1 3.16Å; R58-N75 WeakPolarHBondContact CD-O 3.35Å; R58-N75 PolarHBondContact NH1-O 3.13Å; R58-N75 PolarHBondContact O-N 3Å; N75-V77 PolarHBondContact O-N 2.88Å
76S93.9Very high94.8Very high69 Ų6958.3 Ų58.348%0.48332%0.318SS..SBendtrans50.756176-550000112.1Q8 R58Q8-S76 PolarHBondContact O-N 3.15Å; R58-S76 PolarHBondContact NH1-O 2.81Å
77V94.4Very high94.8Very high11 Ų1155.9 Ų55.97%0.06730%0.3CS..  trans-64.6143.9-177.5-60.70000111.7V4 K5 P6 S7 Q8 L10 L74 N75 D81V4-V77 HydrophobicContact CB-CG2 4.49Å; V4-V77 HydrophobicContact CG1-CG2 3.84Å; K5-V77 WeakPolarHBondContact O-CG2 3.2Å; P6-V77 CarbonylContact C-O 3.56Å; P6-V77 VanDerWaalsContact CA-O 3.3Å; P6-V77 WeakPolarHBondContact CA-O 3.48Å; S7-V77 PolarHBondContact N-O 3.21Å; Q8-V77 WeakPolarHBondContact O-CG2 3.44Å; Q8-V77 PolarHBondContact O-N 2.79Å; L10-V77 HydrophobicContact CB-CG1 3.73Å; L74-V77 HydrophobicContact CB-CG1 4.33Å; L74-V77 HydrophobicContact CD2-CG1 4.01Å; L74-V77 HydrophobicContact CG-CG1 4.03Å; L74-V77 WeakPolarHBondContact O-CG1 3.33Å; N75-V77 PolarHBondContact O-N 2.88Å; V77-D81 WeakPolarHBondContact CA-OD2 3.44Å; V77-D81 HydrophobicContact CB-CB 4.41Å
78T93.9Very high94.7Very high55 Ų5551.2 Ų51.234%0.33729%0.287SS..  trans-116.1168.2176.769.80000110.3E80 D81T78-E80 PolarHBondContact O-N 3.12Å; T78-E80 PolarHBondContact OG1-N 3.05Å; T78-D81 PolarHBondContact N-OD2 3.06Å; T78-D81 WeakPolarHBondContact O-CB 3.48Å; T78-D81 PolarHBondContact O-N 3.01Å; T78-D81 PolarHBondContact OG1-OD2 2.75Å
79P92.1Very high94.6Very high97 Ų9755.5 Ų55.563%0.6330%0.3SS*.G310 helixtrans-56.7-29.4172.4-26.836.6000113.5D81 T82P79-D81 PolarHBondContact O-N 2.79Å; P79-T82 VanDerWaalsContact O-CB 3.23Å; P79-T82 WeakPolarHBondContact O-CB 3.35Å; P79-T82 PolarHBondContact O-N 3.03Å; P79-T82 VanDerWaalsContact O-N 3.12Å; P79-T82 PolarHBondContact O-OG1 2.8Å
80E91.3Very high94.1Very high157 Ų15760.6 Ų60.673%0.73433%0.329SS*.G310 helixtrans-65-22.7174.4-60175.9178.900111.9F32 T78 T82F32-E80 VanDerWaalsContact CE1-O 3.29Å; F32-E80 WeakPolarHBondContact CE1-O 3.5Å; T78-E80 PolarHBondContact O-N 3.12Å; T78-E80 PolarHBondContact OG1-N 3.05Å; E80-T82 PolarHBondContact O-N 2.82Å
81D92.8Very high94Very high8 Ų863.5 Ų63.54%0.04335%0.345CS..G310 helixtrans-78.74.3176.1-59.7-51.4000113.3R30 R58 L74 V77 T78 P79 G83 Y85R30-D81 IonicContact CZ-OD1 3.02Å; R30-D81 VanDerWaalsContact NH1-CB 3.34Å; R30-D81 IonicContact NH1-OD1 2.86Å; R30-D81 PolarHBondContact NH1-OD1 3.48Å; R30-D81 IonicContact NH2-OD1 2.62Å; R58-D81 IonicContact CZ-OD1 3.71Å; R58-D81 IonicContact CZ-OD2 3.61Å; R58-D81 IonicContact NH1-OD1 3.66Å; R58-D81 IonicContact NH1-OD2 2.6Å; R58-D81 PolarHBondContact NH1-OD2 2.8Å; R58-D81 IonicContact NH2-OD1 3.3Å; R58-D81 PolarHBondContact NH2-OD1 2.9Å; R58-D81 VanDerWaalsContact NH2-OD1 3.08Å; R58-D81 IonicContact NH2-OD2 3.97Å; R58-D81 PolarHBondContact NH2-OD2 3.12Å; L74-D81 HydrophobicContact CD2-CB 3.97Å; V77-D81 WeakPolarHBondContact CA-OD2 3.44Å; V77-D81 HydrophobicContact CB-CB 4.41Å; T78-D81 PolarHBondContact N-OD2 3.06Å; T78-D81 WeakPolarHBondContact O-CB 3.48Å; T78-D81 PolarHBondContact O-N 3.01Å; T78-D81 PolarHBondContact OG1-OD2 2.75Å; P79-D81 PolarHBondContact O-N 2.79Å; D81-G83 PolarHBondContact O-N 2.99Å; D81-Y85 PolarHBondContact O-OH 2.93Å
82T93.3Very high93.9Very high91 Ų9164.6 Ų64.656%0.55835%0.353SS*.  trans-71.5123.3178.3-55.50000111.1P79 E80P79-T82 VanDerWaalsContact O-CB 3.23Å; P79-T82 WeakPolarHBondContact O-CB 3.35Å; P79-T82 PolarHBondContact O-N 3.03Å; P79-T82 VanDerWaalsContact O-N 3.12Å; P79-T82 PolarHBondContact O-OG1 2.8Å; E80-T82 PolarHBondContact O-N 2.82Å
83G94.4Very high93.8Very high27 Ų2768.2 Ų68.228%0.27837%0.373SS..SBendtrans178.8-179.917700000112.4Q31 D81 Y85Q31-G83 CarbonylContact O-C 3.48Å; Q31-G83 WeakPolarHBondContact O-CA 3.3Å; D81-G83 PolarHBondContact O-N 2.99Å; G83-Y85 WeakPolarHBondContact O-CD2 3.21Å; G83-Y85 WeakPolarHBondContact O-CE2 3.25Å
84T95.7Very high93.7Very high70 Ų7068.1 Ų68.143%0.42938%0.375SS..EExtended strand (participates in β ladder)trans-87.1133.7168.9-50.50000108.9R30 Q31 Y86R30-T84 CarbonylContact C-O 3.58Å; R30-T84 WeakPolarHBondContact CA-O 3.24Å; Q31-T84 PolarHBondContact N-O 2.9Å; Q31-T84 PolarHBondContact O-N 3.2Å; T84-Y86 HydrophobicContact CG2-CD2 4.25Å; T84-Y86 HydrophobicContact CG2-CE1 4.02Å; T84-Y86 HydrophobicContact CG2-CE2 3.52Å; T84-Y86 WeakPolarHBondContact CG2-OH 3.3Å
85Y96.3Very high93.5Very high45 Ų4572.3 Ų72.318%0.17640%0.399CS..EExtended strand (participates in β ladder)trans-107.6127.1-179.8-69.7-100.9000109.4L10 L12 R30 M40 L72 D81 G83L10-Y85 HydrophobicContact CD2-CD2 4.36Å; L10-Y85 HydrophobicContact CD2-CE1 3.96Å; L10-Y85 HydrophobicContact CD2-CE2 3.8Å; L12-Y85 HydrophobicContact CD1-CD1 3.86Å; L12-Y85 HydrophobicContact CD1-CD2 4.03Å; L12-Y85 HydrophobicContact CD1-CG 3.47Å; L12-Y85 VanDerWaalsContact CD1-CG 3.47Å; R30-Y85 HydrophobicContact CB-CD1 4.41Å; R30-Y85 HydrophobicContact CB-CE1 4.29Å; R30-Y85 WeakPolarHBondContact CD-OH 3.36Å; R30-Y85 HydrophobicContact CG-CE1 4.3Å; R30-Y85 PolarHBondContact NH1-OH 3.25Å; M40-Y85 HydrophobicContact CE-CD1 4.45Å; M40-Y85 HydrophobicContact CE-CE1 3.75Å; M40-Y85 HydrophobicContact SD-CD1 3.68Å; M40-Y85 HydrophobicContact SD-CE1 3.5Å; M40-Y85 VanDerWaalsContact SD-CE1 3.5Å; L72-Y85 HydrophobicContact CD2-CD1 3.58Å; L72-Y85 HydrophobicContact CD2-CE1 3.89Å; D81-Y85 PolarHBondContact O-OH 2.93Å; G83-Y85 WeakPolarHBondContact O-CD2 3.21Å; G83-Y85 WeakPolarHBondContact O-CE2 3.25Å
86Y96.3Very high93.4Very high107 Ų10773 Ų7342%0.4240%0.403SS..EExtended strand (participates in β ladder)trans-116139.1-179.6-63.6-81.4000109.7W28 I29 Q31 T84W28-Y86 WeakPolarHBondContact CA-O 3.47Å; I29-Y86 PolarHBondContact N-O 2.79Å; I29-Y86 PolarHBondContact O-N 3.28Å; Q31-Y86 HydrophobicContact CB-CD2 4.2Å; Q31-Y86 HydrophobicContact CB-CE2 3.67Å; Q31-Y86 PolarHBondContact OE1-OH 2.67Å; T84-Y86 HydrophobicContact CG2-CD2 4.25Å; T84-Y86 HydrophobicContact CG2-CE1 4.02Å; T84-Y86 HydrophobicContact CG2-CE2 3.52Å; T84-Y86 WeakPolarHBondContact CG2-OH 3.3Å
87C94.9Very high93.3Very high52 Ų5273.3 Ų73.335%0.35140%0.398SS..EExtended strand (participates in β ladder)trans-101.7135.7160.158.30000109.6C14 N27 W28 F70C14-C87 HydrophobicContact CB-CB 3.48Å; C14-C87 VanDerWaalsContact CB-CB 3.48Å; C14-C87 WeakPolarHBondContact CB-SG 3.38Å; C14-C87 WeakPolarHBondContact SG-CB 3.39Å; C14-C87 CovalentContact SG-SG 2.04Å; C14-C87 PolarHBondContact SG-SG 3.37Å; N27-C87 VanDerWaalsContact O-CA 3.26Å; N27-C87 WeakPolarHBondContact O-CA 3.49Å; W28-C87 HydrophobicContact CE3-CB 4.28Å; W28-C87 HydrophobicContact CH2-CB 4.25Å; W28-C87 HydrophobicContact CZ2-CB 4.5Å; W28-C87 HydrophobicContact CZ3-CB 4.13Å; F70-C87 HydrophobicContact CE1-CB 4.49Å; F70-C87 HydrophobicContact CE2-CB 4Å; F70-C87 HydrophobicContact CZ-CB 3.56Å
88A94.5Very high93.3Very high34 Ų3478.1 Ų78.128%0.28142%0.423SS..EExtended strand (participates in β ladder)trans-140.3146.1-176.400000110.9W26 N27 I29W26-A88 CarbonylContact C-O 3.56Å; W26-A88 WeakPolarHBondContact CA-O 3.34Å; N27-A88 PolarHBondContact N-O 3.1Å; N27-A88 PolarHBondContact O-N 3.5Å; I29-A88 HydrophobicContact CD1-CB 4.16Å
89R92.8Very high93.2Very high122 Ų12280 Ų8046%0.4643%0.43SS..EExtended strand (participates in β ladder)trans-84142.8167.9-162.3-177.3176.5-179.21.7108.8D19 S23 W26D19-R89 VanDerWaalsContact CG-NH1 3.34Å; D19-R89 IonicContact OD1-CZ 3.62Å; D19-R89 IonicContact OD1-NH1 3.43Å; D19-R89 IonicContact OD1-NH2 2.72Å; D19-R89 IonicContact OD2-CZ 3.8Å; D19-R89 IonicContact OD2-NE 2.77Å; D19-R89 PolarHBondContact OD2-NE 3.26Å; D19-R89 IonicContact OD2-NH1 3.58Å; D19-R89 PolarHBondContact OD2-NH1 3.34Å; D19-R89 IonicContact OD2-NH2 3.62Å; S23-R89 PolarHBondContact OG-NH2 3Å; S23-R89 VanDerWaalsContact OG-NH2 3.14Å; W26-R89 HydrophobicContact CD2-CB 4.41Å; W26-R89 HydrophobicContact CD2-CG 4.37Å; W26-R89 HydrophobicContact CE3-CB 3.98Å; W26-R89 HydrophobicContact CE3-CG 4.41Å; W26-R89 HydrophobicContact CH2-CB 3.87Å; W26-R89 HydrophobicContact CH2-CG 4.04Å; W26-R89 HydrophobicContact CZ2-CB 4.29Å; W26-R89 HydrophobicContact CZ2-CG 3.96Å; W26-R89 HydrophobicContact CZ3-CB 3.7Å; W26-R89 HydrophobicContact CZ3-CG 4.26Å
90D84.3Confident93.3Very high150 Ų15078.5 Ų78.580%0.80241%0.412SS*.  trans-61.90163.6-81.4-19.4000111.8S25 N27S25-D90 WeakPolarHBondContact CB-OD2 3.2Å; S25-D90 PolarHBondContact O-N 3.41Å; S25-D90 VanDerWaalsContact O-N 3.1Å; N27-D90 VanDerWaalsContact ND2-CG 3.32Å; N27-D90 PolarHBondContact ND2-OD1 2.58Å

Retrieved 90 of 90 residues in 30.2 ms (Link to these results)

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