X5J5H9_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5H9, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 82 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
1K59.9Low90.7Very high230 Ų23085.8 Ų85.8100%153%0.527SS*.  0126.50-80-178.1175.4178.50107.8G4K1-G4 PolarHBondContact O-N 3.37Å
2P78.4Confident91.2Very high100 Ų10080.3 Ų80.365%0.64950%0.497SS*.THydrogen-bonded Turntrans-54146.2174.5-24.134000111.3G4 L73P2-G4 PolarHBondContact O-N 2.77Å; P2-L73 CarbonylContact C-O 3.5Å; P2-L73 WeakPolarHBondContact CA-O 3.34Å
3G85.3Confident91.7Very high58 Ų5882.5 Ų82.560%0.59852%0.518SS*.THydrogen-bonded Turntrans79.4-4.6-176.100000115.1L73G3-L73 PolarHBondContact N-O 3.26Å
4G92.3Very high92.1Very high30 Ų3082.9 Ų82.931%0.30955%0.545SS..  trans-70.6169.8175.800000113.4K1 P2 S72 L73K1-G4 PolarHBondContact O-N 3.37Å; P2-G4 PolarHBondContact O-N 2.77Å; G4-S72 PolarHBondContact O-N 3.04Å; G4-L73 WeakPolarHBondContact O-CG 3.32Å; G4-L73 PolarHBondContact O-N 2.87Å
5S95.4Very high92.4Very high80 Ų8083.1 Ų83.156%0.55953%0.534SS*.  trans-124.2145.5170.8-58.70000110.6M70S5-M70 CarbonylContact C-O 3.51Å; S5-M70 WeakPolarHBondContact CA-O 3.4Å; S5-M70 WeakPolarHBondContact CB-O 3.47Å
6L95.8Very high92.7Very high90 Ų9083.6 Ų83.647%0.47154%0.535SS..EExtended strand (participates in β ladder)trans-138.7151.1177.8-178.363.2000109.3L8 Q69 M70 L73L6-L8 HydrophobicContact CD2-CD2 3.69Å; L6-L8 HydrophobicContact CG-CD2 4.05Å; L6-Q69 PolarHBondContact O-NE2 3.01Å; L6-M70 PolarHBondContact N-O 3.49Å; L6-M70 PolarHBondContact O-N 3.42Å; L6-L73 HydrophobicContact CB-CD1 4.07Å
7K97.8Very high93Very high113 Ų11378.8 Ų78.849%0.49150%0.504SS..EExtended strand (participates in β ladder)trans-122.4120.1170.6-169.2177.5179.6-179.70109.5Y67 L68K7-Y67 VanDerWaalsContact CE-CD1 3.44Å; K7-L68 CarbonylContact C-O 3.48Å; K7-L68 WeakPolarHBondContact CA-O 3.32Å
8L98.3Very high93.2Very high38 Ų3877.2 Ų77.220%0.19950%0.496CS..EExtended strand (participates in β ladder)trans-92.8152.3171.4-53.2-177.7000110.1L6 W24 Y67 L68 M70 Y81L6-L8 HydrophobicContact CD2-CD2 3.69Å; L6-L8 HydrophobicContact CG-CD2 4.05Å; L8-W24 HydrophobicContact CB-CH2 3.79Å; L8-W24 HydrophobicContact CB-CZ2 4.03Å; L8-W24 HydrophobicContact CB-CZ3 4.34Å; L8-W24 HydrophobicContact CD1-CE3 4.46Å; L8-W24 HydrophobicContact CD1-CH2 4.42Å; L8-W24 HydrophobicContact CD1-CZ3 4.13Å; L8-Y67 VanDerWaalsContact O-CA 3.28Å; L8-Y67 WeakPolarHBondContact O-CA 3.45Å; L8-L68 HydrophobicContact CB-CB 4.25Å; L8-L68 HydrophobicContact CD1-CD2 4.3Å; L8-L68 PolarHBondContact N-O 3.06Å; L8-L68 PolarHBondContact O-N 3.3Å; L8-M70 HydrophobicContact CD1-SD 3.97Å; L8-M70 HydrophobicContact CG-SD 4.11Å; L8-Y81 HydrophobicContact CD1-CD1 4.15Å; L8-Y81 HydrophobicContact CD1-CD2 4.11Å; L8-Y81 HydrophobicContact CD1-CG 3.7Å
9S98.3Very high93.5Very high83 Ų8377 Ų7758%0.5850%0.497SS*.EExtended strand (participates in β ladder)trans-137.9136.6174.259.70000110.8L66S9-L66 CarbonylContact C-O 3.59Å; S9-L66 VanDerWaalsContact CA-O 3.3Å; S9-L66 WeakPolarHBondContact CA-O 3.4Å
10C97.9Very high93.7Very high43 Ų4380 Ų8029%0.29150%0.499SS..EExtended strand (participates in β ladder)trans-124.6112.6174.21770000108.7W24 I65 L66C10-W24 HydrophobicContact CB-CH2 3.78Å; C10-W24 HydrophobicContact CB-CZ2 3.83Å; C10-I65 CarbonylContact O-C 3.57Å; C10-I65 WeakPolarHBondContact O-CA 3.36Å; C10-L66 HydrophobicContact CB-CB 4.34Å; C10-L66 PolarHBondContact N-O 2.88Å; C10-L66 PolarHBondContact O-N 2.88Å
11A98.1Very high93.9Very high79 Ų7979.4 Ų79.465%0.65350%0.502SS*.EExtended strand (participates in β ladder)trans-88128.2174.300000109.3I65A11-I65 HydrophobicContact CB-CG1 4.23Å
12A97.3Very high95.7Very high20 Ų2070 Ų7017%0.16546%0.462CS..  trans-106145.5-176.600000111.7F15 F17 N64A12-F15 HydrophobicContact CB-CE1 3.71Å; A12-F15 HydrophobicContact CB-CZ 3.69Å; A12-F17 HydrophobicContact CB-CD2 3.59Å; A12-F17 HydrophobicContact CB-CE2 4.11Å; A12-N64 PolarHBondContact N-O 2.84Å
13S97.6Very high96.6Very high109 Ų10966.9 Ų66.976%0.76244%0.442SS*.  trans-146.1157176.159.20000110.5
14G97.4Very high97.3Very high88 Ų8864.7 Ų64.791%0.90742%0.416SS*.SBendtrans893.4175.700000115.4
15F96.1Very high97.5Very high86 Ų8664.6 Ų64.638%0.37741%0.41SS..SBendtrans-154.1164.3174.266.8-80000111.5A12 F17 Y20 M22A12-F15 HydrophobicContact CB-CE1 3.71Å; A12-F15 HydrophobicContact CB-CZ 3.69Å; F15-F17 HydrophobicContact CE2-CB 4.36Å; F15-F17 HydrophobicContact CE2-CD2 4.3Å; F15-F17 HydrophobicContact CZ-CD2 4.21Å; F15-F17 PolarHBondContact O-N 3.27Å; F15-Y20 HydrophobicContact CB-CE2 4.44Å; F15-Y20 AromaticContact CD2-CD2 3.57Å; F15-Y20 HydrophobicContact CD2-CD2 3.57Å; F15-Y20 AromaticContact CD2-CE2 4Å; F15-Y20 HydrophobicContact CD2-CE2 4Å; F15-Y20 HydrophobicContact CD2-CG 4.28Å; F15-Y20 HydrophobicContact CE2-CD2 4.11Å; F15-Y20 HydrophobicContact CE2-CG 4.48Å; F15-M22 HydrophobicContact CE2-SD 4.1Å; F15-M22 HydrophobicContact CZ-CE 4.15Å; F15-M22 HydrophobicContact CZ-SD 4.1Å
16T97.4Very high97.6Very high90 Ų9061 Ų6155%0.55238%0.384SS*.  trans-7586.5176.1-51.60000110.2S18 S19 Y20T16-S18 VanDerWaalsContact C-N 3.26Å; T16-S18 PolarHBondContact O-N 2.87Å; T16-S18 VanDerWaalsContact O-N 3.11Å; T16-S19 WeakPolarHBondContact CG2-OG 3.48Å; T16-S19 WeakPolarHBondContact O-CB 3.31Å; T16-S19 PolarHBondContact O-N 2.79Å; T16-Y20 WeakPolarHBondContact O-CD2 3.13Å
17F97.7Very high97.7Very high2 Ų259.3 Ų59.31%0.00937%0.374CS..G310 helixtrans-45.7-46.2-174.2178.8-97.9000113.7A12 F15 S19 Y20 M22 R59 N61 N64 L66A12-F17 HydrophobicContact CB-CD2 3.59Å; A12-F17 HydrophobicContact CB-CE2 4.11Å; F15-F17 HydrophobicContact CE2-CB 4.36Å; F15-F17 HydrophobicContact CE2-CD2 4.3Å; F15-F17 HydrophobicContact CZ-CD2 4.21Å; F15-F17 PolarHBondContact O-N 3.27Å; F17-S19 PolarHBondContact O-N 2.98Å; F17-S19 VanDerWaalsContact O-N 3.14Å; F17-Y20 PolarHBondContact O-N 3.1Å; F17-M22 HydrophobicContact CD2-CE 4.43Å; F17-M22 HydrophobicContact CD2-CG 4.42Å; F17-M22 HydrophobicContact CD2-SD 4.31Å; F17-M22 HydrophobicContact CE2-CE 4.05Å; F17-M22 HydrophobicContact CE2-CG 3.87Å; F17-M22 HydrophobicContact CE2-SD 4.18Å; F17-M22 HydrophobicContact CZ-CG 4.23Å; F17-R59 HydrophobicContact CE1-CB 4.04Å; F17-R59 HydrophobicContact CZ-CB 4.12Å; F17-R59 PolarHBondContact O-NH2 2.99Å; F17-N61 WeakPolarHBondContact CD1-OD1 3.05Å; F17-N61 WeakPolarHBondContact CE1-OD1 3.08Å; F17-N64 HydrophobicContact CB-CB 3.98Å; F17-N64 VanDerWaalsContact CB-OD1 3.31Å; F17-N64 WeakPolarHBondContact CB-OD1 3.45Å; F17-N64 HydrophobicContact CG-CB 4.12Å; F17-L66 HydrophobicContact CE2-CB 4.35Å; F17-L66 HydrophobicContact CZ-CB 4.22Å
18S97.4Very high97.5Very high50 Ų5055 Ų5535%0.3536%0.358SS..G310 helixtrans-57.7-29.2-178.155.90000114.1T16 S41 R59T16-S18 VanDerWaalsContact C-N 3.26Å; T16-S18 PolarHBondContact O-N 2.87Å; T16-S18 VanDerWaalsContact O-N 3.11Å; S18-S41 WeakPolarHBondContact O-CB 3.03Å; S18-R59 VanDerWaalsContact CA-NH2 3.32Å; S18-R59 PolarHBondContact O-NH1 3.42Å
19S97.6Very high97.1Very high74 Ų7457.8 Ų57.852%0.51738%0.378SS..G310 helixtrans-81.5-14.8-173.5-57.70000114.1T16 F17T16-S19 WeakPolarHBondContact CG2-OG 3.48Å; T16-S19 WeakPolarHBondContact O-CB 3.31Å; T16-S19 PolarHBondContact O-N 2.79Å; F17-S19 PolarHBondContact O-N 2.98Å; F17-S19 VanDerWaalsContact O-N 3.14Å
20Y97.6Very high96.8Very high136 Ų13660.9 Ų60.953%0.53338%0.383SS..SBendtrans-110149-175.2-64.5-90.8000111.9F15 T16 F17 R59F15-Y20 HydrophobicContact CB-CE2 4.44Å; F15-Y20 AromaticContact CD2-CD2 3.57Å; F15-Y20 HydrophobicContact CD2-CD2 3.57Å; F15-Y20 AromaticContact CD2-CE2 4Å; F15-Y20 HydrophobicContact CD2-CE2 4Å; F15-Y20 HydrophobicContact CD2-CG 4.28Å; F15-Y20 HydrophobicContact CE2-CD2 4.11Å; F15-Y20 HydrophobicContact CE2-CG 4.48Å; T16-Y20 WeakPolarHBondContact O-CD2 3.13Å; F17-Y20 PolarHBondContact O-N 3.1Å; Y20-R59 PolarHBondContact O-NH2 2.92Å
21A97.9Very high96.3Very high68 Ų6866.8 Ų66.856%0.56240%0.404SS*.  trans-71.5144.4163.400000109.1I39A21-I39 CarbonylContact C-O 3.6Å; A21-I39 WeakPolarHBondContact CA-O 3.3Å
22M98.3Very high96Very high33 Ų3370.9 Ų70.916%0.16340%0.403CS..EExtended strand (participates in β ladder)trans-127.8149.9-177.6-60.1-59.5-6200109.3F15 F17 S38 I39 L66F15-M22 HydrophobicContact CE2-SD 4.1Å; F15-M22 HydrophobicContact CZ-CE 4.15Å; F15-M22 HydrophobicContact CZ-SD 4.1Å; F17-M22 HydrophobicContact CD2-CE 4.43Å; F17-M22 HydrophobicContact CD2-CG 4.42Å; F17-M22 HydrophobicContact CD2-SD 4.31Å; F17-M22 HydrophobicContact CE2-CE 4.05Å; F17-M22 HydrophobicContact CE2-CG 3.87Å; F17-M22 HydrophobicContact CE2-SD 4.18Å; F17-M22 HydrophobicContact CZ-CG 4.23Å; M22-S38 CarbonylContact O-C 3.52Å; M22-S38 WeakPolarHBondContact O-CA 3.24Å; M22-I39 HydrophobicContact CB-CG2 4.11Å; M22-I39 PolarHBondContact N-O 3.18Å; M22-I39 PolarHBondContact O-N 2.81Å; M22-L66 HydrophobicContact CB-CD1 3.71Å; M22-L66 HydrophobicContact CB-CD2 3.82Å; M22-L66 HydrophobicContact CB-CG 4.34Å; M22-L66 HydrophobicContact CG-CD1 4.43Å
23S98.2Very high95.9Very high34 Ų3475.2 Ų75.224%0.23842%0.422CS..EExtended strand (participates in β ladder)trans-147.9157.4-176.9-59.30000111.3W35 A37 S38S23-W35 WeakPolarHBondContact OG-CZ3 3.28Å; S23-A37 CarbonylContact C-O 3.59Å; S23-A37 WeakPolarHBondContact CA-O 3.25Å; S23-A37 WeakPolarHBondContact CB-O 3.47Å; S23-S38 WeakPolarHBondContact CB-OG 3.46Å; S23-S38 WeakPolarHBondContact OG-CB 3.2Å; S23-S38 PolarHBondContact OG-OG 3.05Å
24W98.5Very high95.8Very high12 Ų1273.5 Ų73.55%0.04540%0.402CS..EExtended strand (participates in β ladder)trans-106.9136.8166.8-73.494.2000110L8 C10 V36 A37 L66 L68 Y82L8-W24 HydrophobicContact CB-CH2 3.79Å; L8-W24 HydrophobicContact CB-CZ2 4.03Å; L8-W24 HydrophobicContact CB-CZ3 4.34Å; L8-W24 HydrophobicContact CD1-CE3 4.46Å; L8-W24 HydrophobicContact CD1-CH2 4.42Å; L8-W24 HydrophobicContact CD1-CZ3 4.13Å; C10-W24 HydrophobicContact CB-CH2 3.78Å; C10-W24 HydrophobicContact CB-CZ2 3.83Å; W24-V36 HydrophobicContact CB-CB 4.12Å; W24-V36 WeakPolarHBondContact O-CB 3.45Å; W24-V36 PolarHBondContact O-N 2.69Å; W24-A37 PolarHBondContact N-O 3.21Å; W24-A37 PolarHBondContact O-N 2.87Å; W24-L66 HydrophobicContact CG-CD2 4.49Å; W24-L66 VanDerWaalsContact NE1-CD2 3.32Å; W24-L68 HydrophobicContact CB-CD2 4.21Å; W24-L68 HydrophobicContact CD2-CB 4.16Å; W24-L68 HydrophobicContact CD2-CD2 4.3Å; W24-L68 HydrophobicContact CG-CB 4.14Å; W24-L68 HydrophobicContact CG-CD1 4.49Å; W24-L68 HydrophobicContact CG-CD2 4.02Å; W24-L68 HydrophobicContact CG-CG 4.46Å; W24-L68 HydrophobicContact CZ2-CB 4.35Å; W24-Y82 CarbonylContact C-O 3.5Å; W24-Y82 VanDerWaalsContact CA-O 3.3Å; W24-Y82 WeakPolarHBondContact CA-O 3.32Å
25V97.8Very high95.7Very high29 Ų2976.7 Ų76.718%0.17639%0.387CS..EExtended strand (participates in β ladder)trans-122.6134.5173.8-175.30000108.7L33 E34 W35 Y81 Y82V25-L33 HydrophobicContact CG1-CB 4.05Å; V25-L33 HydrophobicContact CG1-CD2 3.84Å; V25-L33 HydrophobicContact CG1-CG 4.49Å; V25-E34 WeakPolarHBondContact CA-O 3.37Å; V25-E34 WeakPolarHBondContact CG1-O 3.43Å; V25-W35 HydrophobicContact CG2-CD2 4.28Å; V25-W35 HydrophobicContact CG2-CE3 3.58Å; V25-W35 HydrophobicContact CG2-CH2 4.14Å; V25-W35 HydrophobicContact CG2-CZ3 3.42Å; V25-W35 VanDerWaalsContact CG2-CZ3 3.42Å; V25-Y81 WeakPolarHBondContact O-CA 3.07Å; V25-Y82 PolarHBondContact N-O 2.97Å; V25-Y82 PolarHBondContact O-N 3.38Å
26G97.3Very high95.8Very high3 Ų373 Ų733%0.03137%0.371CS..EExtended strand (participates in β ladder)trans-99.8133.2171.800000110.2L33 E34 M80G26-L33 CarbonylContact O-C 3.58Å; G26-L33 WeakPolarHBondContact O-CA 3.31Å; G26-E34 PolarHBondContact N-O 2.77Å; G26-E34 PolarHBondContact O-N 2.8Å; G26-M80 CarbonylContact C-O 3.57Å; G26-M80 WeakPolarHBondContact CA-O 3.31Å
27Q96.8Very high95.8Very high55 Ų5568.7 Ų68.726%0.25735%0.345SS..EExtended strand (participates in β ladder)trans-103.8115.2166.6-169.2173.548.600109.6K31 R32 L33 A79 M80 Y82Q27-K31 PolarHBondContact NE2-O 3.43Å; Q27-R32 WeakPolarHBondContact CA-O 3.28Å; Q27-L33 HydrophobicContact CB-CD2 3.74Å; Q27-L33 HydrophobicContact CG-CD2 3.97Å; Q27-A79 CarbonylContact O-C 3.53Å; Q27-A79 VanDerWaalsContact O-CA 3.28Å; Q27-A79 WeakPolarHBondContact O-CA 3.31Å; Q27-A79 VanDerWaalsContact O-CB 3.31Å; Q27-A79 WeakPolarHBondContact O-CB 3.48Å; Q27-M80 HydrophobicContact CB-CB 4.4Å; Q27-M80 PolarHBondContact N-O 3.29Å; Q27-M80 PolarHBondContact O-N 3.14Å; Q27-Y82 HydrophobicContact CB-CE2 3.77Å; Q27-Y82 PolarHBondContact OE1-OH 2.97Å
28T93.4Very high95.9Very high23 Ų2370 Ų7014%0.14135%0.354CS..  trans-69.2163.8176.978.30000110.8E30 K31 R32T28-E30 VanDerWaalsContact CB-OE2 3.24Å; T28-E30 WeakPolarHBondContact CB-OE2 3.44Å; T28-E30 PolarHBondContact O-N 2.96Å; T28-E30 VanDerWaalsContact O-N 3.13Å; T28-E30 PolarHBondContact OG1-N 3.29Å; T28-E30 PolarHBondContact OG1-OE2 2.8Å; T28-K31 WeakPolarHBondContact O-CA 3.49Å; T28-K31 PolarHBondContact O-N 3.06Å; T28-R32 PolarHBondContact N-O 3.19Å
29P90.9Very high95.9Very high96 Ų9668 Ų6862%0.62334%0.34SS*.THydrogen-bonded Turntrans-54.8-28.9174.8-26.936.7000113.9K31P29-K31 PolarHBondContact O-N 2.85Å
30E92.1Very high96Very high148 Ų14866.3 Ų66.369%0.69233%0.328SS*.THydrogen-bonded Turntrans-76.77.9174.9-54.270.7-149.500113T28 R32T28-E30 VanDerWaalsContact CB-OE2 3.24Å; T28-E30 WeakPolarHBondContact CB-OE2 3.44Å; T28-E30 PolarHBondContact O-N 2.96Å; T28-E30 VanDerWaalsContact O-N 3.13Å; T28-E30 PolarHBondContact OG1-N 3.29Å; T28-E30 PolarHBondContact OG1-OE2 2.8Å; E30-R32 PolarHBondContact O-N 3.38Å
31K87.5Confident95.9Very high168 Ų16863 Ų6373%0.7332%0.324SS*.  trans6615.1180-54.6-178.6178.3179.40114.9Q27 T28 P29Q27-K31 PolarHBondContact NE2-O 3.43Å; T28-K31 WeakPolarHBondContact O-CA 3.49Å; T28-K31 PolarHBondContact O-N 3.06Å; P29-K31 PolarHBondContact O-N 2.85Å
32R91.5Very high95.8Very high165 Ų16563.1 Ų63.162%0.62333%0.333SS*.  trans-77.1129173.7-172.6-179.2-177.3-1609.1109.8Q27 T28 E30 E34Q27-R32 WeakPolarHBondContact CA-O 3.28Å; T28-R32 PolarHBondContact N-O 3.19Å; E30-R32 PolarHBondContact O-N 3.38Å; R32-E34 WeakPolarHBondContact CD-OE1 3.4Å; R32-E34 HydrophobicContact CG-CG 4.17Å; R32-E34 IonicContact CZ-OE1 3.31Å; R32-E34 VanDerWaalsContact CZ-OE1 3.31Å; R32-E34 IonicContact NE-OE1 3.5Å; R32-E34 IonicContact NH1-OE1 2.75Å; R32-E34 PolarHBondContact NH1-OE1 2.78Å
33L94.6Very high95.8Very high111 Ų11163.2 Ų63.258%0.58134%0.342SS*.EExtended strand (participates in β ladder)trans-86.5128.6171.6-68.3170.6000110V25 G26 Q27V25-L33 HydrophobicContact CG1-CB 4.05Å; V25-L33 HydrophobicContact CG1-CD2 3.84Å; V25-L33 HydrophobicContact CG1-CG 4.49Å; G26-L33 CarbonylContact O-C 3.58Å; G26-L33 WeakPolarHBondContact O-CA 3.31Å; Q27-L33 HydrophobicContact CB-CD2 3.74Å; Q27-L33 HydrophobicContact CG-CD2 3.97Å
34E94.9Very high95.8Very high72 Ų7265.8 Ų65.834%0.33636%0.36SS..EExtended strand (participates in β ladder)trans-128.6130.5178.8-60.1-166.3164.400109.9V25 G26 R32 V36V25-E34 WeakPolarHBondContact CA-O 3.37Å; V25-E34 WeakPolarHBondContact CG1-O 3.43Å; G26-E34 PolarHBondContact N-O 2.77Å; G26-E34 PolarHBondContact O-N 2.8Å; R32-E34 WeakPolarHBondContact CD-OE1 3.4Å; R32-E34 HydrophobicContact CG-CG 4.17Å; R32-E34 IonicContact CZ-OE1 3.31Å; R32-E34 VanDerWaalsContact CZ-OE1 3.31Å; R32-E34 IonicContact NE-OE1 3.5Å; R32-E34 IonicContact NH1-OE1 2.75Å; R32-E34 PolarHBondContact NH1-OE1 2.78Å; E34-V36 PolarHBondContact O-N 3.02Å
35W96.3Very high95.8Very high155 Ų15568.6 Ų68.659%0.58738%0.378SS*.EExtended strand (participates in β ladder)trans-63.7135.4172.1-77.1107.4000110S23 V25 P48S23-W35 WeakPolarHBondContact OG-CZ3 3.28Å; V25-W35 HydrophobicContact CG2-CD2 4.28Å; V25-W35 HydrophobicContact CG2-CE3 3.58Å; V25-W35 HydrophobicContact CG2-CH2 4.14Å; V25-W35 HydrophobicContact CG2-CZ3 3.42Å; V25-W35 VanDerWaalsContact CG2-CZ3 3.42Å; W35-P48 WeakPolarHBondContact O-CG 3.37Å
36V97.8Very high95.8Very high9 Ų974 Ų746%0.05540%0.397CS..EExtended strand (participates in β ladder)trans-109-50.2-179.3176.50000110.9W24 E34 P48 V51 F55 L68 Y81W24-V36 HydrophobicContact CB-CB 4.12Å; W24-V36 WeakPolarHBondContact O-CB 3.45Å; W24-V36 PolarHBondContact O-N 2.69Å; E34-V36 PolarHBondContact O-N 3.02Å; V36-P48 WeakPolarHBondContact O-CD 3.4Å; V36-V51 VanDerWaalsContact O-CG2 3.24Å; V36-V51 WeakPolarHBondContact O-CG2 3.33Å; V36-F55 HydrophobicContact CG1-CD2 3.64Å; V36-F55 HydrophobicContact CG1-CE2 4Å; V36-L68 HydrophobicContact CG1-CD1 4.38Å; V36-L68 HydrophobicContact CG1-CD2 3.84Å; V36-Y81 HydrophobicContact CG1-CE1 4.23Å; V36-Y81 HydrophobicContact CG2-CD1 4.23Å; V36-Y81 HydrophobicContact CG2-CE1 3.8Å
37A98.4Very high95.9Very high0 Ų075.9 Ų75.90%040%0.403CS..EExtended strand (participates in β ladder)trans-161.9153.7177.100000110.4S23 W24 Y46 Y47 I57 L68S23-A37 CarbonylContact C-O 3.59Å; S23-A37 WeakPolarHBondContact CA-O 3.25Å; S23-A37 WeakPolarHBondContact CB-O 3.47Å; W24-A37 PolarHBondContact N-O 3.21Å; W24-A37 PolarHBondContact O-N 2.87Å; A37-Y46 WeakPolarHBondContact CA-O 3.3Å; A37-Y47 HydrophobicContact CB-CD1 3.7Å; A37-Y47 HydrophobicContact CB-CE1 3.73Å; A37-I57 HydrophobicContact CB-CB 3.77Å; A37-I57 HydrophobicContact CB-CD1 4.09Å; A37-I57 HydrophobicContact CB-CG1 4.48Å; A37-I57 HydrophobicContact CB-CG2 3.95Å; A37-L68 HydrophobicContact CB-CD1 4.07Å
38S98.5Very high95.9Very high28 Ų2874.2 Ų74.220%0.19640%0.397CS..EExtended strand (participates in β ladder)trans-136.8147.6175.6-590000110.8M22 S23 T45 Y46M22-S38 CarbonylContact O-C 3.52Å; M22-S38 WeakPolarHBondContact O-CA 3.24Å; S23-S38 WeakPolarHBondContact CB-OG 3.46Å; S23-S38 WeakPolarHBondContact OG-CB 3.2Å; S23-S38 PolarHBondContact OG-OG 3.05Å; S38-T45 CarbonylContact O-C 3.59Å; S38-T45 VanDerWaalsContact O-CA 3.27Å; S38-T45 WeakPolarHBondContact O-CA 3.46Å; S38-Y46 PolarHBondContact N-O 2.8Å; S38-Y46 PolarHBondContact O-N 3.32Å
39I98.7Very high96Very high10 Ų1079.7 Ų79.75%0.05143%0.426CS..EExtended strand (participates in β ladder)trans-133.4126.8174.3-169.5164.4000109.6A21 M22 S44 T45 I57 R59 L66A21-I39 CarbonylContact C-O 3.6Å; A21-I39 WeakPolarHBondContact CA-O 3.3Å; M22-I39 HydrophobicContact CB-CG2 4.11Å; M22-I39 PolarHBondContact N-O 3.18Å; M22-I39 PolarHBondContact O-N 2.81Å; I39-S44 WeakPolarHBondContact CA-O 3.47Å; I39-T45 HydrophobicContact CB-CG2 4.35Å; I39-T45 HydrophobicContact CD1-CG2 3.96Å; I39-T45 HydrophobicContact CG1-CG2 3.99Å; I39-I57 HydrophobicContact CB-CD1 4.1Å; I39-I57 HydrophobicContact CB-CG1 4.34Å; I39-I57 HydrophobicContact CB-CG2 4.03Å; I39-I57 HydrophobicContact CG2-CD1 3.77Å; I39-I57 HydrophobicContact CG2-CG1 4.08Å; I39-R59 HydrophobicContact CD1-CB 4.34Å; I39-R59 HydrophobicContact CD1-CG 3.83Å; I39-L66 HydrophobicContact CG2-CD1 3.68Å
40S98.4Very high96.2Very high38 Ų3878.4 Ų78.427%0.26642%0.419SS..  trans-72.9168.7178.876.90000111.8G42 G43 S44 R59S40-G42 PolarHBondContact O-N 3.27Å; S40-G42 PolarHBondContact OG-N 2.99Å; S40-G43 PolarHBondContact O-N 2.83Å; S40-G43 PolarHBondContact OG-N 3.02Å; S40-S44 PolarHBondContact N-O 2.69Å; S40-S44 PolarHBondContact OG-N 3.14Å; S40-R59 PolarHBondContact O-NH1 2.86Å
41S97.1Very high96.4Very high65 Ų6571.7 Ų71.746%0.45539%0.388SS..THydrogen-bonded Turntrans-56.1-37.7172.754.60000112S18 G43 R59S18-S41 WeakPolarHBondContact O-CB 3.03Å; S41-G43 VanDerWaalsContact C-N 3.33Å; S41-G43 PolarHBondContact O-N 3.24Å; S41-R59 PolarHBondContact O-NH1 2.96Å
42G95.8Very high96.8Very high72 Ų7270.1 Ų70.174%0.74238%0.381SS*.THydrogen-bonded Turntrans-81.4-0.7176.300000115.6S40S40-G42 PolarHBondContact O-N 3.27Å; S40-G42 PolarHBondContact OG-N 2.99Å
43G96.8Very high97Very high34 Ų3466.1 Ų66.135%0.35139%0.391SS..  trans93.1-0.7174.900000116S40 S41 T45S40-G43 PolarHBondContact O-N 2.83Å; S40-G43 PolarHBondContact OG-N 3.02Å; S41-G43 VanDerWaalsContact C-N 3.33Å; S41-G43 PolarHBondContact O-N 3.24Å; G43-T45 PolarHBondContact O-N 3.13Å
44S98.3Very high97.2Very high89 Ų8962.1 Ų62.162%0.62237%0.368SS*.  trans-65.3130.2173.7-52.60000110.5I39 S40I39-S44 WeakPolarHBondContact CA-O 3.47Å; S40-S44 PolarHBondContact N-O 2.69Å; S40-S44 PolarHBondContact OG-N 3.14Å
45T98.7Very high97.3Very high70 Ų7058.8 Ų58.843%0.42935%0.353SS..EExtended strand (participates in β ladder)trans-106.9145-176.2590000112.7S38 I39 G43 Y47 I57S38-T45 CarbonylContact O-C 3.59Å; S38-T45 VanDerWaalsContact O-CA 3.27Å; S38-T45 WeakPolarHBondContact O-CA 3.46Å; I39-T45 HydrophobicContact CB-CG2 4.35Å; I39-T45 HydrophobicContact CD1-CG2 3.96Å; I39-T45 HydrophobicContact CG1-CG2 3.99Å; G43-T45 PolarHBondContact O-N 3.13Å; T45-Y47 WeakPolarHBondContact OG1-CE2 3.42Å; T45-I57 HydrophobicContact CG2-CG2 3.79Å
46Y98.4Very high97.4Very high144 Ų14455 Ų5557%0.56535%0.347SS*.EExtended strand (participates in β ladder)trans-124.1141.8170.3171.6-96.3000110.7A37 S38 P48A37-Y46 WeakPolarHBondContact CA-O 3.3Å; S38-Y46 PolarHBondContact N-O 2.8Å; S38-Y46 PolarHBondContact O-N 3.32Å; Y46-P48 HydrophobicContact CE1-CG 4.38Å
47Y98.4Very high97.5Very high42 Ų4254.8 Ų54.817%0.16535%0.345CS..  trans-138131176.1-55.2-83.3000109.5A37 T45 T56 I57A37-Y47 HydrophobicContact CB-CD1 3.7Å; A37-Y47 HydrophobicContact CB-CE1 3.73Å; T45-Y47 WeakPolarHBondContact OG1-CE2 3.42Å; Y47-T56 WeakPolarHBondContact OH-CA 3.27Å; Y47-I57 HydrophobicContact CE1-CB 4.33Å; Y47-I57 HydrophobicContact CE1-CG2 3.91Å; Y47-I57 WeakPolarHBondContact OH-CG2 3.47Å; Y47-I57 PolarHBondContact OH-N 3.13Å
48P97.2Very high97.5Very high20 Ų2057 Ų5713%0.1336%0.361CS..  trans-65.1154.2166.10.29.9000111.6W35 V36 Y46 S50 V51 K52W35-P48 WeakPolarHBondContact O-CG 3.37Å; V36-P48 WeakPolarHBondContact O-CD 3.4Å; Y46-P48 HydrophobicContact CE1-CG 4.38Å; P48-S50 PolarHBondContact O-N 2.81Å; P48-S50 VanDerWaalsContact O-N 3.14Å; P48-V51 HydrophobicContact CG-CG2 4.34Å; P48-V51 PolarHBondContact O-N 2.84Å; P48-V51 VanDerWaalsContact O-N 3.13Å; P48-K52 WeakPolarHBondContact O-CB 3.4Å; P48-K52 PolarHBondContact O-N 2.8Å
49D96.6Very high97.5Very high138 Ų13857.6 Ų57.674%0.73836%0.359SS*.THydrogen-bonded Turntrans-59.9-27.2-176.9-67.8-31.1000113.7V51D49-V51 PolarHBondContact O-N 2.88Å
50S94.4Very high97.4Very high68 Ų6858.5 Ų58.548%0.47636%0.364SS..THydrogen-bonded Turntrans-59.1-31177.554.90000113.6P48 R54P48-S50 PolarHBondContact O-N 2.81Å; P48-S50 VanDerWaalsContact O-N 3.14Å; S50-R54 PolarHBondContact O-NH2 2.85Å
51V96.2Very high97.4Very high7 Ų760.1 Ų60.14%0.04237%0.369CS..THydrogen-bonded Turntrans-122.9-5.8-174.6-58.90000113.5V36 P48 D49 G53 R54 F55V36-V51 VanDerWaalsContact O-CG2 3.24Å; V36-V51 WeakPolarHBondContact O-CG2 3.33Å; P48-V51 HydrophobicContact CG-CG2 4.34Å; P48-V51 PolarHBondContact O-N 2.84Å; P48-V51 VanDerWaalsContact O-N 3.13Å; D49-V51 PolarHBondContact O-N 2.88Å; V51-G53 PolarHBondContact O-N 2.75Å; V51-R54 WeakPolarHBondContact O-CB 3.24Å; V51-R54 PolarHBondContact O-N 2.76Å; V51-F55 HydrophobicContact CB-CB 4.22Å; V51-F55 HydrophobicContact CB-CD1 4.49Å; V51-F55 HydrophobicContact CB-CD2 3.61Å; V51-F55 HydrophobicContact CB-CE2 3.99Å; V51-F55 HydrophobicContact CB-CG 3.87Å; V51-F55 HydrophobicContact CG1-CD2 3.64Å; V51-F55 HydrophobicContact CG1-CE2 3.49Å; V51-F55 VanDerWaalsContact CG1-CE2 3.49Å; V51-F55 HydrophobicContact CG1-CG 4.32Å; V51-F55 HydrophobicContact CG1-CZ 4.07Å; V51-F55 HydrophobicContact CG2-CD2 4.18Å; V51-F55 PolarHBondContact O-N 3.29Å
52K96.1Very high97.4Very high136 Ų13661.5 Ų61.559%0.59139%0.385SS*.THydrogen-bonded Turntrans-55.8131.9-179.6-166.5172.1-174.8176.30111.1P48 R54P48-K52 WeakPolarHBondContact O-CB 3.4Å; P48-K52 PolarHBondContact O-N 2.8Å; K52-R54 PolarHBondContact O-N 2.92Å
53G96.3Very high97.5Very high81 Ų8166.3 Ų66.384%0.83538%0.381SS*.THydrogen-bonded Turntrans77.2-4.9-176.600000115.1V51V51-G53 PolarHBondContact O-N 2.75Å
54R97.3Very high97.6Very high26 Ų2667.6 Ų67.610%0.09838%0.38CS..THydrogen-bonded Turntrans-109.3-39.7175.8-58.7-169.4-59.2112.2-1.8112S50 V51 K52 S71 S72 D77S50-R54 PolarHBondContact O-NH2 2.85Å; V51-R54 WeakPolarHBondContact O-CB 3.24Å; V51-R54 PolarHBondContact O-N 2.76Å; K52-R54 PolarHBondContact O-N 2.92Å; R54-S71 VanDerWaalsContact O-CB 3.32Å; R54-S71 WeakPolarHBondContact O-CB 3.32Å; R54-S71 PolarHBondContact O-N 3.35Å; R54-S72 PolarHBondContact NH1-O 3.23Å; R54-S72 VanDerWaalsContact NH1-O 3.1Å; R54-D77 IonicContact CZ-OD1 3.61Å; R54-D77 IonicContact CZ-OD2 3.5Å; R54-D77 IonicContact NH1-OD1 3.53Å; R54-D77 IonicContact NH1-OD2 2.69Å; R54-D77 PolarHBondContact NH1-OD2 2.96Å; R54-D77 IonicContact NH2-OD1 2.78Å; R54-D77 PolarHBondContact NH2-OD1 3.19Å; R54-D77 IonicContact NH2-OD2 3.43Å; R54-D77 PolarHBondContact NH2-OD2 2.73Å
55F97.9Very high97.6Very high3 Ų365 Ų651%0.01336%0.358CS..EExtended strand (participates in β ladder)trans-106.7154.6-177.2-63.73.7000111.3V36 V51 L68 Q69 M70 L73 D77V36-F55 HydrophobicContact CG1-CD2 3.64Å; V36-F55 HydrophobicContact CG1-CE2 4Å; V51-F55 HydrophobicContact CB-CB 4.22Å; V51-F55 HydrophobicContact CB-CD1 4.49Å; V51-F55 HydrophobicContact CB-CD2 3.61Å; V51-F55 HydrophobicContact CB-CE2 3.99Å; V51-F55 HydrophobicContact CB-CG 3.87Å; V51-F55 HydrophobicContact CG1-CD2 3.64Å; V51-F55 HydrophobicContact CG1-CE2 3.49Å; V51-F55 VanDerWaalsContact CG1-CE2 3.49Å; V51-F55 HydrophobicContact CG1-CG 4.32Å; V51-F55 HydrophobicContact CG1-CZ 4.07Å; V51-F55 HydrophobicContact CG2-CD2 4.18Å; V51-F55 PolarHBondContact O-N 3.29Å; F55-L68 HydrophobicContact CB-CD1 4.31Å; F55-Q69 CarbonylContact C-O 3.48Å; F55-Q69 VanDerWaalsContact CA-O 3.25Å; F55-Q69 WeakPolarHBondContact CA-O 3.48Å; F55-M70 HydrophobicContact CD1-CB 3.81Å; F55-M70 HydrophobicContact CD1-CG 4.14Å; F55-M70 HydrophobicContact CD2-CE 4.31Å; F55-M70 HydrophobicContact CD2-CG 4.14Å; F55-M70 HydrophobicContact CE1-CB 3.74Å; F55-M70 HydrophobicContact CE1-CE 4.17Å; F55-M70 HydrophobicContact CE1-CG 4.19Å; F55-M70 HydrophobicContact CE2-CE 3.47Å; F55-M70 VanDerWaalsContact CE2-CE 3.47Å; F55-M70 HydrophobicContact CE2-CG 4.17Å; F55-M70 HydrophobicContact CG-CB 4.32Å; F55-M70 HydrophobicContact CG-CG 4.16Å; F55-M70 HydrophobicContact CZ-CB 4.16Å; F55-M70 HydrophobicContact CZ-CE 3.4Å; F55-M70 VanDerWaalsContact CZ-CE 3.4Å; F55-M70 HydrophobicContact CZ-CG 4.21Å; F55-L73 HydrophobicContact CE1-CD2 4.12Å; F55-L73 HydrophobicContact CZ-CD2 4.09Å; F55-D77 HydrophobicContact CZ-CB 4.06Å
56T98.6Very high97.6Very high75 Ų7561.8 Ų61.846%0.4634%0.339SS..EExtended strand (participates in β ladder)trans-141.9118.7178.8-55.80000109.8Y47 Q69Y47-T56 WeakPolarHBondContact OH-CA 3.27Å; T56-Q69 PolarHBondContact N-O 3.26Å; T56-Q69 PolarHBondContact O-N 3.4Å
57I98.8Very high97.6Very high5 Ų557.2 Ų57.23%0.02632%0.32CS..EExtended strand (participates in β ladder)trans-88.9138.5171.5-167.6171.6000109A37 I39 T45 Y47 L66 Y67 L68A37-I57 HydrophobicContact CB-CB 3.77Å; A37-I57 HydrophobicContact CB-CD1 4.09Å; A37-I57 HydrophobicContact CB-CG1 4.48Å; A37-I57 HydrophobicContact CB-CG2 3.95Å; I39-I57 HydrophobicContact CB-CD1 4.1Å; I39-I57 HydrophobicContact CB-CG1 4.34Å; I39-I57 HydrophobicContact CB-CG2 4.03Å; I39-I57 HydrophobicContact CG2-CD1 3.77Å; I39-I57 HydrophobicContact CG2-CG1 4.08Å; T45-I57 HydrophobicContact CG2-CG2 3.79Å; Y47-I57 HydrophobicContact CE1-CB 4.33Å; Y47-I57 HydrophobicContact CE1-CG2 3.91Å; Y47-I57 WeakPolarHBondContact OH-CG2 3.47Å; Y47-I57 PolarHBondContact OH-N 3.13Å; I57-L66 HydrophobicContact CD1-CD1 3.98Å; I57-L66 HydrophobicContact CD1-CD2 4.32Å; I57-L66 HydrophobicContact CD1-CG 4.4Å; I57-L66 HydrophobicContact CG1-CD1 3.94Å; I57-L66 HydrophobicContact CG1-CG 4.39Å; I57-Y67 WeakPolarHBondContact CA-O 3.42Å; I57-L68 HydrophobicContact CB-CD1 4.39Å
58S98.6Very high97.6Very high47 Ų4755.2 Ų55.233%0.32931%0.313SS..EExtended strand (participates in β ladder)trans-145.7159.417456.30000110.1Y67S58-Y67 PolarHBondContact N-O 3.46Å; S58-Y67 PolarHBondContact O-N 3.46Å
59R98.3Very high97.7Very high39 Ų3957.3 Ų57.315%0.14732%0.321CS..EExtended strand (participates in β ladder)trans-135.3142.9-176.769.1-173.8-56.1-153.26.5111.1F17 S18 Y20 I39 S40 S41 N61 L66F17-R59 HydrophobicContact CE1-CB 4.04Å; F17-R59 HydrophobicContact CZ-CB 4.12Å; F17-R59 PolarHBondContact O-NH2 2.99Å; S18-R59 VanDerWaalsContact CA-NH2 3.32Å; S18-R59 PolarHBondContact O-NH1 3.42Å; Y20-R59 PolarHBondContact O-NH2 2.92Å; I39-R59 HydrophobicContact CD1-CB 4.34Å; I39-R59 HydrophobicContact CD1-CG 3.83Å; S40-R59 PolarHBondContact O-NH1 2.86Å; S41-R59 PolarHBondContact O-NH1 2.96Å; R59-N61 PolarHBondContact NE-OD1 3.48Å; R59-N61 PolarHBondContact NH2-OD1 2.98Å; R59-L66 HydrophobicContact CB-CD1 4.11Å
60D97.9Very high97.7Very high29 Ų2950.9 Ų50.916%0.15529%0.286CS..EExtended strand (participates in β ladder)trans-115.7102.7172.1-175.3-22000108.7A62 R63 N64 I65 Y67D60-A62 VanDerWaalsContact C-N 3.32Å; D60-A62 PolarHBondContact OD1-N 3.25Å; D60-R63 HydrophobicContact CB-CB 4.32Å; D60-R63 PolarHBondContact O-N 2.82Å; D60-R63 PolarHBondContact OD1-N 3.07Å; D60-R63 WeakPolarHBondContact OD2-CD 3.21Å; D60-R63 VanDerWaalsContact OD2-CG 3.3Å; D60-R63 WeakPolarHBondContact OD2-CG 3.38Å; D60-R63 IonicContact OD2-CZ 3.58Å; D60-R63 IonicContact OD2-NE 3.76Å; D60-R63 IonicContact OD2-NH1 2.69Å; D60-R63 PolarHBondContact OD2-NH1 3.46Å; D60-N64 WeakPolarHBondContact O-CA 3.39Å; D60-N64 PolarHBondContact O-N 2.85Å; D60-I65 PolarHBondContact N-O 3.49Å; D60-I65 PolarHBondContact O-N 3.46Å; D60-Y67 HydrophobicContact CB-CE2 4.09Å
61N97.6Very high97.8Very high72 Ų7249.5 Ų49.539%0.38528%0.277SS..THydrogen-bonded Turntrans-72.2-25.4-178.3-69.4-19.8000113F17 R59 N64F17-N61 WeakPolarHBondContact CD1-OD1 3.05Å; F17-N61 WeakPolarHBondContact CE1-OD1 3.08Å; R59-N61 PolarHBondContact NE-OD1 3.48Å; R59-N61 PolarHBondContact NH2-OD1 2.98Å; N61-N64 PolarHBondContact O-OD1 3.03Å
62A97.1Very high97.8Very high95 Ų9552.5 Ų52.579%0.78530%0.298SS*.THydrogen-bonded Turntrans-75.1-32.6178.600000111.1D60D60-A62 VanDerWaalsContact C-N 3.32Å; D60-A62 PolarHBondContact OD1-N 3.25Å
63R97.8Very high97.7Very high173 Ų17347.8 Ų47.865%0.65328%0.279SS*.THydrogen-bonded Turntrans-98.4-7.1179.8-59.2-173.6179.1101.4-2.5114D60 I65D60-R63 HydrophobicContact CB-CB 4.32Å; D60-R63 PolarHBondContact O-N 2.82Å; D60-R63 PolarHBondContact OD1-N 3.07Å; D60-R63 WeakPolarHBondContact OD2-CD 3.21Å; D60-R63 VanDerWaalsContact OD2-CG 3.3Å; D60-R63 WeakPolarHBondContact OD2-CG 3.38Å; D60-R63 IonicContact OD2-CZ 3.58Å; D60-R63 IonicContact OD2-NE 3.76Å; D60-R63 IonicContact OD2-NH1 2.69Å; D60-R63 PolarHBondContact OD2-NH1 3.46Å; R63-I65 VanDerWaalsContact C-N 3.3Å; R63-I65 HydrophobicContact CB-CD1 3.9Å; R63-I65 HydrophobicContact CB-CG1 3.98Å; R63-I65 WeakPolarHBondContact O-CG1 3.3Å; R63-I65 PolarHBondContact O-N 2.96Å
64N98.2Very high97.6Very high61 Ų6150.5 Ų50.533%0.32626%0.264SS..THydrogen-bonded Turntrans55.242.3-171.6-57-36.9000112.8A12 F17 D60 N61A12-N64 PolarHBondContact N-O 2.84Å; F17-N64 HydrophobicContact CB-CB 3.98Å; F17-N64 VanDerWaalsContact CB-OD1 3.31Å; F17-N64 WeakPolarHBondContact CB-OD1 3.45Å; F17-N64 HydrophobicContact CG-CB 4.12Å; D60-N64 WeakPolarHBondContact O-CA 3.39Å; D60-N64 PolarHBondContact O-N 2.85Å; N61-N64 PolarHBondContact O-OD1 3.03Å
65I98.6Very high97.4Very high34 Ų3453 Ų5317%0.17429%0.286CS..EExtended strand (participates in β ladder)trans-117.3131.5-178.7-56.4173.5000110.7C10 A11 D60 R63 Y67C10-I65 CarbonylContact O-C 3.57Å; C10-I65 WeakPolarHBondContact O-CA 3.36Å; A11-I65 HydrophobicContact CB-CG1 4.23Å; D60-I65 PolarHBondContact N-O 3.49Å; D60-I65 PolarHBondContact O-N 3.46Å; R63-I65 VanDerWaalsContact C-N 3.3Å; R63-I65 HydrophobicContact CB-CD1 3.9Å; R63-I65 HydrophobicContact CB-CG1 3.98Å; R63-I65 WeakPolarHBondContact O-CG1 3.3Å; R63-I65 PolarHBondContact O-N 2.96Å; I65-Y67 HydrophobicContact CB-CE1 4.49Å; I65-Y67 HydrophobicContact CB-CE2 4.02Å; I65-Y67 HydrophobicContact CG2-CD1 3.97Å; I65-Y67 HydrophobicContact CG2-CD2 4.21Å; I65-Y67 HydrophobicContact CG2-CE1 3.46Å; I65-Y67 VanDerWaalsContact CG2-CE1 3.46Å; I65-Y67 HydrophobicContact CG2-CE2 3.73Å; I65-Y67 HydrophobicContact CG2-CG 4.33Å
66L98.7Very high97Very high3 Ų360 Ų602%0.01632%0.318CS..EExtended strand (participates in β ladder)trans-97.8135.9167.2-170.372000109.5S9 C10 F17 M22 W24 I39 I57 R59S9-L66 CarbonylContact C-O 3.59Å; S9-L66 VanDerWaalsContact CA-O 3.3Å; S9-L66 WeakPolarHBondContact CA-O 3.4Å; C10-L66 HydrophobicContact CB-CB 4.34Å; C10-L66 PolarHBondContact N-O 2.88Å; C10-L66 PolarHBondContact O-N 2.88Å; F17-L66 HydrophobicContact CE2-CB 4.35Å; F17-L66 HydrophobicContact CZ-CB 4.22Å; M22-L66 HydrophobicContact CB-CD1 3.71Å; M22-L66 HydrophobicContact CB-CD2 3.82Å; M22-L66 HydrophobicContact CB-CG 4.34Å; M22-L66 HydrophobicContact CG-CD1 4.43Å; W24-L66 HydrophobicContact CG-CD2 4.49Å; W24-L66 VanDerWaalsContact NE1-CD2 3.32Å; I39-L66 HydrophobicContact CG2-CD1 3.68Å; I57-L66 HydrophobicContact CD1-CD1 3.98Å; I57-L66 HydrophobicContact CD1-CD2 4.32Å; I57-L66 HydrophobicContact CD1-CG 4.4Å; I57-L66 HydrophobicContact CG1-CD1 3.94Å; I57-L66 HydrophobicContact CG1-CG 4.39Å; R59-L66 HydrophobicContact CB-CD1 4.11Å
67Y98.7Very high96.8Very high47 Ų4757.3 Ų57.318%0.18430%0.301CS..EExtended strand (participates in β ladder)trans-120146.2177.1-59.5-76.7000111.3K7 L8 I57 S58 D60 I65K7-Y67 VanDerWaalsContact CE-CD1 3.44Å; L8-Y67 VanDerWaalsContact O-CA 3.28Å; L8-Y67 WeakPolarHBondContact O-CA 3.45Å; I57-Y67 WeakPolarHBondContact CA-O 3.42Å; S58-Y67 PolarHBondContact N-O 3.46Å; S58-Y67 PolarHBondContact O-N 3.46Å; D60-Y67 HydrophobicContact CB-CE2 4.09Å; I65-Y67 HydrophobicContact CB-CE1 4.49Å; I65-Y67 HydrophobicContact CB-CE2 4.02Å; I65-Y67 HydrophobicContact CG2-CD1 3.97Å; I65-Y67 HydrophobicContact CG2-CD2 4.21Å; I65-Y67 HydrophobicContact CG2-CE1 3.46Å; I65-Y67 VanDerWaalsContact CG2-CE1 3.46Å; I65-Y67 HydrophobicContact CG2-CE2 3.73Å; I65-Y67 HydrophobicContact CG2-CG 4.33Å
68L98.7Very high96.5Very high0 Ų061.5 Ų61.50%033%0.327CS..EExtended strand (participates in β ladder)trans-124.2108.3166.1-173.568.2000108.7K7 L8 W24 V36 A37 F55 I57 M70 Y81K7-L68 CarbonylContact C-O 3.48Å; K7-L68 WeakPolarHBondContact CA-O 3.32Å; L8-L68 HydrophobicContact CB-CB 4.25Å; L8-L68 HydrophobicContact CD1-CD2 4.3Å; L8-L68 PolarHBondContact N-O 3.06Å; L8-L68 PolarHBondContact O-N 3.3Å; W24-L68 HydrophobicContact CB-CD2 4.21Å; W24-L68 HydrophobicContact CD2-CB 4.16Å; W24-L68 HydrophobicContact CD2-CD2 4.3Å; W24-L68 HydrophobicContact CG-CB 4.14Å; W24-L68 HydrophobicContact CG-CD1 4.49Å; W24-L68 HydrophobicContact CG-CD2 4.02Å; W24-L68 HydrophobicContact CG-CG 4.46Å; W24-L68 HydrophobicContact CZ2-CB 4.35Å; V36-L68 HydrophobicContact CG1-CD1 4.38Å; V36-L68 HydrophobicContact CG1-CD2 3.84Å; A37-L68 HydrophobicContact CB-CD1 4.07Å; F55-L68 HydrophobicContact CB-CD1 4.31Å; I57-L68 HydrophobicContact CB-CD1 4.39Å; L68-M70 HydrophobicContact CD2-CG 3.82Å; L68-M70 HydrophobicContact CD2-SD 3.96Å; L68-M70 HydrophobicContact CG-CG 3.79Å; L68-M70 HydrophobicContact CG-SD 4.48Å; L68-Y81 HydrophobicContact CD2-CD1 4.28Å; L68-Y81 HydrophobicContact CD2-CE1 4.34Å
69Q98.4Very high96.4Very high64 Ų6460.7 Ų60.730%0.29932%0.323SS..EExtended strand (participates in β ladder)trans-83.3123.5167.7-177.863.943.900108.1L6 F55 T56L6-Q69 PolarHBondContact O-NE2 3.01Å; F55-Q69 CarbonylContact C-O 3.48Å; F55-Q69 VanDerWaalsContact CA-O 3.25Å; F55-Q69 WeakPolarHBondContact CA-O 3.48Å; T56-Q69 PolarHBondContact N-O 3.26Å; T56-Q69 PolarHBondContact O-N 3.4Å
70M97.6Very high96.3Very high3 Ų364.5 Ų64.52%0.01534%0.344CS..EExtended strand (participates in β ladder)trans-117.2114.8-179.7-56.1168.976.300108.1S5 L6 L8 F55 L68 L73 Y81S5-M70 CarbonylContact C-O 3.51Å; S5-M70 WeakPolarHBondContact CA-O 3.4Å; S5-M70 WeakPolarHBondContact CB-O 3.47Å; L6-M70 PolarHBondContact N-O 3.49Å; L6-M70 PolarHBondContact O-N 3.42Å; L8-M70 HydrophobicContact CD1-SD 3.97Å; L8-M70 HydrophobicContact CG-SD 4.11Å; F55-M70 HydrophobicContact CD1-CB 3.81Å; F55-M70 HydrophobicContact CD1-CG 4.14Å; F55-M70 HydrophobicContact CD2-CE 4.31Å; F55-M70 HydrophobicContact CD2-CG 4.14Å; F55-M70 HydrophobicContact CE1-CB 3.74Å; F55-M70 HydrophobicContact CE1-CE 4.17Å; F55-M70 HydrophobicContact CE1-CG 4.19Å; F55-M70 HydrophobicContact CE2-CE 3.47Å; F55-M70 VanDerWaalsContact CE2-CE 3.47Å; F55-M70 HydrophobicContact CE2-CG 4.17Å; F55-M70 HydrophobicContact CG-CB 4.32Å; F55-M70 HydrophobicContact CG-CG 4.16Å; F55-M70 HydrophobicContact CZ-CB 4.16Å; F55-M70 HydrophobicContact CZ-CE 3.4Å; F55-M70 VanDerWaalsContact CZ-CE 3.4Å; F55-M70 HydrophobicContact CZ-CG 4.21Å; L68-M70 HydrophobicContact CD2-CG 3.82Å; L68-M70 HydrophobicContact CD2-SD 3.96Å; L68-M70 HydrophobicContact CG-CG 3.79Å; L68-M70 HydrophobicContact CG-SD 4.48Å; M70-L73 HydrophobicContact CB-CD2 3.87Å; M70-L73 HydrophobicContact CB-CG 4.42Å; M70-L73 HydrophobicContact CE-CD2 3.57Å; M70-L73 HydrophobicContact SD-CD2 4.45Å; M70-Y81 HydrophobicContact CE-CE1 3.81Å; M70-Y81 HydrophobicContact CE-CE2 3.87Å; M70-Y81 WeakPolarHBondContact CE-OH 3.43Å
71S96.6Very high96.3Very high40 Ų4065.6 Ų65.628%0.2835%0.346SS..  trans-112.8157.8178.2-53.80000110.2R54 L73R54-S71 VanDerWaalsContact O-CB 3.32Å; R54-S71 WeakPolarHBondContact O-CB 3.32Å; R54-S71 PolarHBondContact O-N 3.35Å; S71-L73 VanDerWaalsContact C-N 3.28Å; S71-L73 PolarHBondContact O-N 2.87Å
72S95.2Very high96.2Very high70 Ų7069.1 Ų69.149%0.4936%0.355SS..SBendtrans5149.1177.7-56.60000112.2G4 R54G4-S72 PolarHBondContact O-N 3.04Å; R54-S72 PolarHBondContact NH1-O 3.23Å; R54-S72 VanDerWaalsContact NH1-O 3.1Å
73L95.7Very high96.2Very high36 Ų3667.8 Ų67.819%0.18833%0.334CS..  trans-57.5137.2-179.2-75.7169.3000111P2 G3 G4 L6 F55 M70 S71 D77P2-L73 CarbonylContact C-O 3.5Å; P2-L73 WeakPolarHBondContact CA-O 3.34Å; G3-L73 PolarHBondContact N-O 3.26Å; G4-L73 WeakPolarHBondContact O-CG 3.32Å; G4-L73 PolarHBondContact O-N 2.87Å; L6-L73 HydrophobicContact CB-CD1 4.07Å; F55-L73 HydrophobicContact CE1-CD2 4.12Å; F55-L73 HydrophobicContact CZ-CD2 4.09Å; M70-L73 HydrophobicContact CB-CD2 3.87Å; M70-L73 HydrophobicContact CB-CG 4.42Å; M70-L73 HydrophobicContact CE-CD2 3.57Å; M70-L73 HydrophobicContact SD-CD2 4.45Å; S71-L73 VanDerWaalsContact C-N 3.28Å; S71-L73 PolarHBondContact O-N 2.87Å; L73-D77 HydrophobicContact CD2-CB 4.08Å
74R94.4Very high96.1Very high139 Ų13962.3 Ų62.353%0.52532%0.317SS..  trans-114.8168.9176.5-50.5178.6175.3169.3-2.6109.9E76 D77R74-E76 WeakPolarHBondContact CB-OE2 3.46Å; R74-E76 PolarHBondContact O-N 3.38Å; R74-D77 PolarHBondContact N-OD2 3.28Å; R74-D77 PolarHBondContact O-N 3.27Å
75S91.6Very high96Very high79 Ų7962.3 Ų62.355%0.55232%0.316SS*.G310 helixtrans-64-32.8178.6-60.80000111.6D77 T78S75-D77 PolarHBondContact O-N 2.81Å; S75-T78 VanDerWaalsContact O-CB 3.31Å; S75-T78 WeakPolarHBondContact O-CB 3.48Å; S75-T78 PolarHBondContact O-N 2.9Å; S75-T78 PolarHBondContact O-OG1 3.38Å
76E91.1Very high95.8Very high149 Ų14964 Ų6470%0.69633%0.325SS*.G310 helixtrans-69.4-18.4179-54.375.2-158.300112.7R74 T78R74-E76 WeakPolarHBondContact CB-OE2 3.46Å; R74-E76 PolarHBondContact O-N 3.38Å; E76-T78 PolarHBondContact O-N 2.74Å
77D93.4Very high95.6Very high19 Ų1967.8 Ų67.810%0.10234%0.344CS..G310 helixtrans-80.18.1174.8-55.2-48.6000112.2R54 F55 L73 R74 S75 A79 Y81R54-D77 IonicContact CZ-OD1 3.61Å; R54-D77 IonicContact CZ-OD2 3.5Å; R54-D77 IonicContact NH1-OD1 3.53Å; R54-D77 IonicContact NH1-OD2 2.69Å; R54-D77 PolarHBondContact NH1-OD2 2.96Å; R54-D77 IonicContact NH2-OD1 2.78Å; R54-D77 PolarHBondContact NH2-OD1 3.19Å; R54-D77 IonicContact NH2-OD2 3.43Å; R54-D77 PolarHBondContact NH2-OD2 2.73Å; F55-D77 HydrophobicContact CZ-CB 4.06Å; L73-D77 HydrophobicContact CD2-CB 4.08Å; R74-D77 PolarHBondContact N-OD2 3.28Å; R74-D77 PolarHBondContact O-N 3.27Å; S75-D77 PolarHBondContact O-N 2.81Å; D77-A79 PolarHBondContact O-N 3.11Å; D77-Y81 PolarHBondContact O-OH 2.77Å
78T93.3Very high95.4Very high93 Ų9369.2 Ų69.257%0.57136%0.355SS*.  trans-77.5105.4178.2-56.40000109.4S75 E76S75-T78 VanDerWaalsContact O-CB 3.31Å; S75-T78 WeakPolarHBondContact O-CB 3.48Å; S75-T78 PolarHBondContact O-N 2.9Å; S75-T78 PolarHBondContact O-OG1 3.38Å; E76-T78 PolarHBondContact O-N 2.74Å
79A95.2Very high95.2Very high29 Ų2974.1 Ų74.124%0.2438%0.38CS..  trans-151.4164.4-178.400000111.2Q27 D77 Y81Q27-A79 CarbonylContact O-C 3.53Å; Q27-A79 VanDerWaalsContact O-CA 3.28Å; Q27-A79 WeakPolarHBondContact O-CA 3.31Å; Q27-A79 VanDerWaalsContact O-CB 3.31Å; Q27-A79 WeakPolarHBondContact O-CB 3.48Å; D77-A79 PolarHBondContact O-N 3.11Å; A79-Y81 HydrophobicContact CB-CE2 4.02Å; A79-Y81 VanDerWaalsContact O-CD2 3.31Å; A79-Y81 WeakPolarHBondContact O-CD2 3.33Å; A79-Y81 WeakPolarHBondContact O-CE2 3.45Å
80M96.9Very high95Very high120 Ų12074.9 Ų74.959%0.59139%0.386SS*.EExtended strand (participates in β ladder)trans-81.9128.1160.3-68.6-58.5-60.300108.9G26 Q27 Y82G26-M80 CarbonylContact C-O 3.57Å; G26-M80 WeakPolarHBondContact CA-O 3.31Å; Q27-M80 HydrophobicContact CB-CB 4.4Å; Q27-M80 PolarHBondContact N-O 3.29Å; Q27-M80 PolarHBondContact O-N 3.14Å; M80-Y82 HydrophobicContact CB-CE2 3.81Å
81Y97.3Very high94.7Very high52 Ų5280.9 Ų80.920%0.20442%0.417CS..EExtended strand (participates in β ladder)trans-103.8133.4-176.6-71.8-91000111.2L8 V25 V36 L68 M70 D77 A79L8-Y81 HydrophobicContact CD1-CD1 4.15Å; L8-Y81 HydrophobicContact CD1-CD2 4.11Å; L8-Y81 HydrophobicContact CD1-CG 3.7Å; V25-Y81 WeakPolarHBondContact O-CA 3.07Å; V36-Y81 HydrophobicContact CG1-CE1 4.23Å; V36-Y81 HydrophobicContact CG2-CD1 4.23Å; V36-Y81 HydrophobicContact CG2-CE1 3.8Å; L68-Y81 HydrophobicContact CD2-CD1 4.28Å; L68-Y81 HydrophobicContact CD2-CE1 4.34Å; M70-Y81 HydrophobicContact CE-CE1 3.81Å; M70-Y81 HydrophobicContact CE-CE2 3.87Å; M70-Y81 WeakPolarHBondContact CE-OH 3.43Å; D77-Y81 PolarHBondContact O-OH 2.77Å; A79-Y81 HydrophobicContact CB-CE2 4.02Å; A79-Y81 VanDerWaalsContact O-CD2 3.31Å; A79-Y81 WeakPolarHBondContact O-CD2 3.33Å; A79-Y81 WeakPolarHBondContact O-CE2 3.45Å
82Y96.3Very high94.6Very high145 Ų14584.6 Ų84.657%0.56943%0.43SS*.  trans-123.40-179.4-57.5-88000110.9W24 V25 Q27 M80W24-Y82 CarbonylContact C-O 3.5Å; W24-Y82 VanDerWaalsContact CA-O 3.3Å; W24-Y82 WeakPolarHBondContact CA-O 3.32Å; V25-Y82 PolarHBondContact N-O 2.97Å; V25-Y82 PolarHBondContact O-N 3.38Å; Q27-Y82 HydrophobicContact CB-CE2 3.77Å; Q27-Y82 PolarHBondContact OE1-OH 2.97Å; M80-Y82 HydrophobicContact CB-CE2 3.81Å

Retrieved 82 of 82 residues in 17.3 ms (Link to these results)