A0A093I6S0_STRCA Loading...

Protein tyrosine phosphatase type IVA 1

AlphaFold DB , UniProt , Accession A0A093I6S0, Species STRCA (Struthio camelus australis), Gene n/a, Length 173 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
1M39.7Very low66Low244 Ų244110 Ų110100%1.20258%0.575SS**  0115.10-74.2175.3177.100108R3M1-R3 PolarHBondContact O-N 3.23Å
2A36.4Very low68.5Low96 Ų96100.9 Ų100.979%0.79353%0.528SS*.  trans-58.3126.2-177.200000110.1M4A2-M4 PolarHBondContact O-N 3.15Å
3R43.6Very low70.6Confident233 Ų23398.7 Ų98.788%0.87952%0.521SS*.  trans-58.4103.2165.9-74.2172.4111.31762.5105.9M1 N5M1-R3 PolarHBondContact O-N 3.23Å; R3-N5 PolarHBondContact O-N 2.83Å
4M50.8Low72.2Confident153 Ų15395.9 Ų95.975%0.75450%0.501SS*.  trans-58109.5167.6-73-179.3-172.100105.9A2 R6A2-M4 PolarHBondContact O-N 3.15Å; M4-R6 HydrophobicContact CB-CG 4.34Å; M4-R6 PolarHBondContact O-N 2.93Å
5N55.3Low73.4Confident161 Ų16196.8 Ų96.886%0.86150%0.499SS*.  trans-6679172.5-87.5-15.5000107.6R3R3-N5 PolarHBondContact O-N 2.83Å
6R65.8Low74.4Confident96 Ų9694.6 Ų94.636%0.36249%0.488SS..PPolyproline II helixtrans-69.2134.3172.5-66.5-172-178.1172.2-0.3107.3M4 A8 H23M4-R6 HydrophobicContact CB-CG 4.34Å; M4-R6 PolarHBondContact O-N 2.93Å; R6-A8 PolarHBondContact O-N 2.87Å; R6-H23 VanDerWaalsContact CD-CD2 3.44Å; R6-H23 WeakPolarHBondContact CD-CD2 3.48Å; R6-H23 WeakPolarHBondContact CD-NE2 3.27Å; R6-H23 PolarHBondContact NH1-NE2 3.02Å
7P72Confident75.6Confident50 Ų5089 Ų8933%0.32546%0.46SS..PPolyproline II helixtrans-57.3137.6176.7-23.633.8000110.5R137P7-R137 VanDerWaalsContact CG-NH2 3.34Å
8A83.1Confident76.8Confident72 Ų7288 Ų8860%0.59545%0.449SS*.PPolyproline II helixtrans-57.5149.6174.200000110.8R6 R137R6-A8 PolarHBondContact O-N 2.87Å; A8-R137 PolarHBondContact O-NH1 2.96Å
9P90.4Very high77.9Confident25 Ų2583.4 Ų83.416%0.16243%0.425CS..PPolyproline II helixtrans-59.2145170.330.9-39.3000109.9L20 I21 T22 E36 Y40P9-L20 HydrophobicContact CB-CD1 4.13Å; P9-L20 HydrophobicContact CB-CG 4.45Å; P9-I21 WeakPolarHBondContact CA-O 3.37Å; P9-T22 HydrophobicContact CB-CG2 4.11Å; P9-E36 WeakPolarHBondContact CG-OE1 3.5Å; P9-Y40 HydrophobicContact CG-CE2 4.27Å
10V93.2Very high78.8Confident16 Ų1679.2 Ų79.210%0.09740%0.404CS..EExtended strand (participates in β ladder)trans-120115.8-178.5170.70000109.5I12 I21 K136 R137V10-I12 HydrophobicContact CG1-CD1 4.35Å; V10-I12 HydrophobicContact CG1-CG1 4Å; V10-I21 HydrophobicContact CB-CB 4.44Å; V10-I21 PolarHBondContact N-O 2.67Å; V10-I21 PolarHBondContact O-N 2.64Å; V10-K136 HydrophobicContact CG1-CB 3.45Å; V10-K136 VanDerWaalsContact CG1-CB 3.45Å; V10-K136 HydrophobicContact CG1-CG 4.44Å; V10-R137 HydrophobicContact CG2-CB 4.31Å
11E95.5Very high79.6Confident64 Ų6475.4 Ų75.430%0.29939%0.385SS..EExtended strand (participates in β ladder)trans-86.4134.9172.6-169.8179.4-156.600110.6T13 R18 F19 L20 Y40E11-T13 HydrophobicContact CG-CG2 4.01Å; E11-R18 IonicContact OE1-CZ 3.34Å; E11-R18 IonicContact OE1-NE 3.08Å; E11-R18 PolarHBondContact OE1-NE 3.31Å; E11-R18 VanDerWaalsContact OE1-NE 3.08Å; E11-R18 IonicContact OE1-NH2 2.74Å; E11-R18 PolarHBondContact OE1-NH2 3.11Å; E11-F19 CarbonylContact C-O 3.6Å; E11-F19 WeakPolarHBondContact CA-O 3.23Å; E11-L20 HydrophobicContact CB-CD1 4.08Å; E11-Y40 HydrophobicContact CB-CE1 4.44Å
12I95.9Very high82.1Confident1 Ų163.8 Ų63.81%0.00533%0.328CS..EExtended strand (participates in β ladder)trans-127.5119.3177.7-54.6-166000107.8V10 F19 I21 V115 F132 I133V10-I12 HydrophobicContact CG1-CD1 4.35Å; V10-I12 HydrophobicContact CG1-CG1 4Å; I12-F19 HydrophobicContact CB-CB 4.45Å; I12-F19 PolarHBondContact N-O 3.16Å; I12-F19 PolarHBondContact O-N 3.15Å; I12-I21 HydrophobicContact CD1-CD1 3.72Å; I12-V115 HydrophobicContact CB-CG1 4.34Å; I12-V115 HydrophobicContact CD1-CG1 4.16Å; I12-V115 HydrophobicContact CG2-CG1 4.11Å; I12-F132 HydrophobicContact CG2-CD1 3.98Å; I12-F132 HydrophobicContact CG2-CE1 3.52Å; I12-I133 HydrophobicContact CD1-CB 4.23Å; I12-I133 HydrophobicContact CD1-CG1 3.75Å; I12-I133 HydrophobicContact CD1-CG2 4.04Å
13T95.6Very high84.6Confident72 Ų7260.7 Ų60.744%0.44230%0.296SS..EExtended strand (participates in β ladder)trans-118.1133.7-179.160.50000110.1E11 M17 R18 F132E11-T13 HydrophobicContact CG-CG2 4.01Å; T13-M17 WeakPolarHBondContact CA-O 3.42Å; T13-R18 HydrophobicContact CG2-CB 4.3Å; T13-R18 HydrophobicContact CG2-CG 3.82Å; T13-F132 WeakPolarHBondContact O-CZ 3.47Å
14Y94.1Very high86.7Confident59 Ų5950.8 Ų50.823%0.23126%0.261CS..EExtended strand (participates in β ladder)trans-151.8121.8176-173.7-110.5000110.2N16 M17 L119 C122 M124Y14-N16 PolarHBondContact O-N 2.98Å; Y14-M17 PolarHBondContact N-O 3.34Å; Y14-M17 WeakPolarHBondContact O-CB 3.41Å; Y14-M17 PolarHBondContact O-N 3.03Å; Y14-L119 HydrophobicContact CD1-CD2 3.67Å; Y14-L119 HydrophobicContact CD2-CD2 4.39Å; Y14-L119 HydrophobicContact CG-CD2 3.55Å; Y14-C122 HydrophobicContact CD1-CB 4.05Å; Y14-C122 HydrophobicContact CE1-CB 3.61Å; Y14-M124 HydrophobicContact CD2-CE 3.6Å; Y14-M124 HydrophobicContact CE1-CE 4.29Å; Y14-M124 HydrophobicContact CE2-CE 3.28Å; Y14-M124 HydrophobicContact CG-CE 4.25Å
15K89.9Confident88.6Confident110 Ų11043.5 Ų43.548%0.47823%0.225SC..THydrogen-bonded Turntrans54.3-126.6-171-58.2-179.4174.2-1770110.3M17 C122K15-M17 VanDerWaalsContact C-N 3.34Å; K15-C122 HydrophobicContact CD-CB 4.45Å; K15-C122 PolarHBondContact NZ-O 3.37Å
16N89.3Confident90.2Very high61 Ų6138.6 Ų38.633%0.32620%0.201SC..THydrogen-bonded Turntrans-87.21.2176.763.7-42000113.8Y14 F160Y14-N16 PolarHBondContact O-N 2.98Å; N16-F160 WeakPolarHBondContact ND2-CE1 3.45Å; N16-F160 WeakPolarHBondContact ND2-CZ 3.44Å; N16-F160 VanDerWaalsContact OD1-CD2 3.27Å; N16-F160 WeakPolarHBondContact OD1-CD2 3.35Å; N16-F160 WeakPolarHBondContact OD1-CE2 3.47Å
17M94.4Very high91.2Very high0 Ų039.1 Ų39.10%021%0.211CC..EExtended strand (participates in β ladder)trans-98.9136-176.5-55.1-168.8-60.700111.2T13 Y14 K15 F19 L88 F92 A118 C122 L158 F160T13-M17 WeakPolarHBondContact CA-O 3.42Å; Y14-M17 PolarHBondContact N-O 3.34Å; Y14-M17 WeakPolarHBondContact O-CB 3.41Å; Y14-M17 PolarHBondContact O-N 3.03Å; K15-M17 VanDerWaalsContact C-N 3.34Å; M17-F19 HydrophobicContact CB-CE2 3.71Å; M17-F19 HydrophobicContact CB-CZ 3.83Å; M17-F19 HydrophobicContact CE-CE2 4.09Å; M17-F19 HydrophobicContact CE-CZ 4.08Å; M17-F19 HydrophobicContact CG-CZ 4.49Å; M17-F19 HydrophobicContact SD-CE2 4.48Å; M17-F19 HydrophobicContact SD-CZ 3.99Å; M17-L88 HydrophobicContact SD-CD1 4.3Å; M17-F92 HydrophobicContact CB-CD2 3.87Å; M17-F92 HydrophobicContact CB-CE1 4.27Å; M17-F92 HydrophobicContact CB-CE2 3.5Å; M17-F92 VanDerWaalsContact CB-CE2 3.5Å; M17-F92 HydrophobicContact CB-CG 4.36Å; M17-F92 HydrophobicContact CB-CZ 3.75Å; M17-F92 HydrophobicContact CG-CD2 3.4Å; M17-F92 HydrophobicContact CG-CE2 3.53Å; M17-F92 HydrophobicContact CG-CG 3.96Å; M17-F92 HydrophobicContact CG-CZ 4.24Å; M17-F92 HydrophobicContact SD-CD2 3.77Å; M17-F92 HydrophobicContact SD-CE2 3.81Å; M17-A118 HydrophobicContact CE-CB 4.31Å; M17-C122 HydrophobicContact CE-CB 4.37Å; M17-C122 WeakPolarHBondContact CE-SG 3.35Å; M17-L158 HydrophobicContact SD-CD1 4.22Å; M17-F160 HydrophobicContact CG-CE2 4.2Å; M17-F160 HydrophobicContact SD-CE2 4.19Å
18R97.4Very high92Very high71 Ų7141.4 Ų41.427%0.26823%0.234SC..EExtended strand (participates in β ladder)trans-127.9128175.7-60.7175.156.2-147.3-4.5109.5E11 T13 Y40 F92 G97 C99 I100E11-R18 IonicContact OE1-CZ 3.34Å; E11-R18 IonicContact OE1-NE 3.08Å; E11-R18 PolarHBondContact OE1-NE 3.31Å; E11-R18 VanDerWaalsContact OE1-NE 3.08Å; E11-R18 IonicContact OE1-NH2 2.74Å; E11-R18 PolarHBondContact OE1-NH2 3.11Å; T13-R18 HydrophobicContact CG2-CB 4.3Å; T13-R18 HydrophobicContact CG2-CG 3.82Å; R18-Y40 PolarHBondContact NH2-O 2.97Å; R18-F92 WeakPolarHBondContact O-CZ 3.48Å; R18-G97 PolarHBondContact NH1-O 2.78Å; R18-C99 HydrophobicContact CB-CB 4.25Å; R18-C99 WeakPolarHBondContact O-CA 3.22Å; R18-I100 PolarHBondContact O-N 3.4Å
19F97.7Very high92.4Very high0 Ų040 Ų400%022%0.218CC..EExtended strand (participates in β ladder)trans-122.3145.5179.7-54.1-77.6000110.6E11 I12 M17 W84 L88 F92 I100 V115 A118E11-F19 CarbonylContact C-O 3.6Å; E11-F19 WeakPolarHBondContact CA-O 3.23Å; I12-F19 HydrophobicContact CB-CB 4.45Å; I12-F19 PolarHBondContact N-O 3.16Å; I12-F19 PolarHBondContact O-N 3.15Å; M17-F19 HydrophobicContact CB-CE2 3.71Å; M17-F19 HydrophobicContact CB-CZ 3.83Å; M17-F19 HydrophobicContact CE-CE2 4.09Å; M17-F19 HydrophobicContact CE-CZ 4.08Å; M17-F19 HydrophobicContact CG-CZ 4.49Å; M17-F19 HydrophobicContact SD-CE2 4.48Å; M17-F19 HydrophobicContact SD-CZ 3.99Å; F19-W84 AromaticContact CD1-CH2 3.84Å; F19-W84 HydrophobicContact CD1-CH2 3.84Å; F19-W84 HydrophobicContact CD1-CZ2 4.04Å; F19-W84 AromaticContact CE1-CH2 3.7Å; F19-W84 HydrophobicContact CE1-CH2 3.7Å; F19-W84 AromaticContact CE1-CZ2 3.62Å; F19-W84 HydrophobicContact CE1-CZ2 3.62Å; F19-W84 HydrophobicContact CZ-CZ2 4.42Å; F19-L88 HydrophobicContact CE1-CD1 3.79Å; F19-L88 HydrophobicContact CE1-CD2 3.7Å; F19-L88 HydrophobicContact CE1-CG 4.39Å; F19-L88 HydrophobicContact CZ-CD1 3.72Å; F19-L88 HydrophobicContact CZ-CD2 4.37Å; F19-F92 HydrophobicContact CD1-CZ 4.31Å; F19-F92 AromaticContact CE1-CE2 3.73Å; F19-F92 HydrophobicContact CE1-CE2 3.73Å; F19-F92 AromaticContact CE1-CZ 3.82Å; F19-F92 HydrophobicContact CE1-CZ 3.82Å; F19-F92 AromaticContact CZ-CE2 3.75Å; F19-F92 HydrophobicContact CZ-CE2 3.75Å; F19-F92 HydrophobicContact CZ-CZ 4.07Å; F19-I100 CarbonylContact C-O 3.49Å; F19-I100 VanDerWaalsContact CA-O 3.24Å; F19-I100 WeakPolarHBondContact CA-O 3.23Å; F19-I100 HydrophobicContact CD1-CB 4.37Å; F19-V115 HydrophobicContact CB-CG1 4.25Å; F19-V115 HydrophobicContact CB-CG2 4.13Å; F19-V115 HydrophobicContact CD2-CG1 3.84Å; F19-V115 HydrophobicContact CE2-CG1 4.43Å; F19-V115 HydrophobicContact CG-CG1 4.08Å; F19-V115 HydrophobicContact CG-CG2 4.25Å; F19-A118 HydrophobicContact CE1-CB 4.42Å; F19-A118 HydrophobicContact CE2-CB 4.17Å; F19-A118 HydrophobicContact CZ-CB 3.68Å
20L96.8Very high92.5Very high0 Ų039.1 Ų39.10%021%0.212CC..EExtended strand (participates in β ladder)trans-122.3112173.8-168.672.2000110.3P9 E11 T22 L37 Y40 V42 I100 A101 V102P9-L20 HydrophobicContact CB-CD1 4.13Å; P9-L20 HydrophobicContact CB-CG 4.45Å; E11-L20 HydrophobicContact CB-CD1 4.08Å; L20-T22 HydrophobicContact CD2-CG2 3.57Å; L20-T22 HydrophobicContact CG-CG2 3.63Å; L20-L37 HydrophobicContact CD2-CD2 4.17Å; L20-Y40 HydrophobicContact CD1-CD1 3.89Å; L20-Y40 HydrophobicContact CD1-CD2 3.94Å; L20-Y40 HydrophobicContact CD1-CE1 4.06Å; L20-Y40 HydrophobicContact CD1-CE2 4.12Å; L20-Y40 HydrophobicContact CD1-CG 3.84Å; L20-Y40 HydrophobicContact CD2-CD2 3.63Å; L20-Y40 HydrophobicContact CD2-CE2 4.33Å; L20-Y40 HydrophobicContact CD2-CG 3.88Å; L20-Y40 HydrophobicContact CG-CD2 4.46Å; L20-Y40 HydrophobicContact CG-CG 4.48Å; L20-V42 HydrophobicContact CB-CG2 4.29Å; L20-V42 HydrophobicContact CD2-CG2 3.87Å; L20-I100 PolarHBondContact N-O 3.06Å; L20-A101 HydrophobicContact CB-CB 4.18Å; L20-A101 CarbonylContact O-C 3.57Å; L20-A101 WeakPolarHBondContact O-CA 3.43Å; L20-V102 PolarHBondContact O-N 2.99Å
21I94.4Very high92.5Very high0 Ų043.9 Ų43.90%024%0.237CC..EExtended strand (participates in β ladder)trans-88.9111.8173.9-56.7178.6000108.5P9 V10 I12 V102 G107 A111 P112 V115P9-I21 WeakPolarHBondContact CA-O 3.37Å; V10-I21 HydrophobicContact CB-CB 4.44Å; V10-I21 PolarHBondContact N-O 2.67Å; V10-I21 PolarHBondContact O-N 2.64Å; I12-I21 HydrophobicContact CD1-CD1 3.72Å; I21-V102 WeakPolarHBondContact CA-O 3.45Å; I21-G107 WeakPolarHBondContact CG2-O 3.33Å; I21-A111 HydrophobicContact CG2-CB 4.25Å; I21-P112 HydrophobicContact CD1-CG 4.14Å; I21-V115 HydrophobicContact CD1-CG2 4.1Å; I21-V115 HydrophobicContact CG1-CG2 4.12Å
22T92.2Very high92.4Very high0 Ų048.2 Ų48.20%026%0.255CS..EExtended strand (participates in β ladder)trans-113.8174.2-177.864.20000111.9P9 L20 F33 V102 H103P9-T22 HydrophobicContact CB-CG2 4.11Å; L20-T22 HydrophobicContact CD2-CG2 3.57Å; L20-T22 HydrophobicContact CG-CG2 3.63Å; T22-F33 HydrophobicContact CG2-CE2 4.31Å; T22-V102 PolarHBondContact N-O 3.48Å; T22-H103 WeakPolarHBondContact OG1-CB 3.24Å
23H88.7Confident92.3Very high30 Ų3048.5 Ų48.514%0.13926%0.256CS..PPolyproline II helixtrans-92.7160.3170.864.9-85.7000110R6 P25R6-H23 VanDerWaalsContact CD-CD2 3.44Å; R6-H23 WeakPolarHBondContact CD-CD2 3.48Å; R6-H23 WeakPolarHBondContact CD-NE2 3.27Å; R6-H23 PolarHBondContact NH1-NE2 3.02Å; H23-P25 WeakPolarHBondContact O-CD 3.36Å
24N88.7Confident92.3Very high25 Ų2545.5 Ų45.513%0.13424%0.238CC..PPolyproline II helixtrans-66.6121.6174.8-164.331.2000110.8T52 H103 C104 V105N24-T52 PolarHBondContact ND2-OG1 2.78Å; N24-T52 PolarHBondContact OD1-OG1 3.32Å; N24-H103 PolarHBondContact OD1-CE1 2.57Å; N24-H103 VanDerWaalsContact OD1-CE1 3.29Å; N24-C104 WeakPolarHBondContact CB-O 3.43Å; N24-V105 WeakPolarHBondContact CB-O 3.32Å; N24-V105 PolarHBondContact N-O 3.15Å
25P90.7Very high92.4Very high0 Ų049 Ų490%026%0.256CS..PPolyproline II helixtrans-71.7162.7173.732.7-35.9000110.6H23 L30 F33 Y53H23-P25 WeakPolarHBondContact O-CD 3.36Å; P25-L30 HydrophobicContact CB-CD1 4.33Å; P25-L30 HydrophobicContact CG-CD1 4.08Å; P25-F33 HydrophobicContact CB-CB 3.91Å; P25-F33 HydrophobicContact CB-CD1 4.12Å; P25-F33 HydrophobicContact CB-CD2 4.12Å; P25-F33 HydrophobicContact CB-CG 3.8Å; P25-F33 HydrophobicContact CG-CD1 3.79Å; P25-F33 HydrophobicContact CG-CD2 4.24Å; P25-F33 HydrophobicContact CG-CE1 3.91Å; P25-F33 HydrophobicContact CG-CE2 4.37Å; P25-F33 HydrophobicContact CG-CG 3.94Å; P25-F33 HydrophobicContact CG-CZ 4.21Å; P25-Y53 HydrophobicContact CG-CD1 3.61Å; P25-Y53 HydrophobicContact CG-CD2 4.36Å; P25-Y53 HydrophobicContact CG-CE1 3.48Å; P25-Y53 VanDerWaalsContact CG-CE1 3.48Å; P25-Y53 HydrophobicContact CG-CE2 4.29Å; P25-Y53 HydrophobicContact CG-CG 4.05Å
26T87.8Confident92.6Very high59 Ų5946.3 Ų46.336%0.36225%0.245SC..  trans-104161.9161.163.10000108.9A28 T29 L30T26-A28 PolarHBondContact O-N 2.8Å; T26-A28 VanDerWaalsContact O-N 3.13Å; T26-T29 PolarHBondContact N-OG1 3.4Å; T26-T29 CarbonylContact O-C 3.58Å; T26-T29 PolarHBondContact O-N 3.31Å; T26-T29 PolarHBondContact O-OG1 2.95Å; T26-T29 PolarHBondContact OG1-OG1 3.19Å; T26-L30 PolarHBondContact O-N 3.15Å; T26-L30 VanDerWaalsContact O-N 3.08Å
27N87.4Confident92.9Very high106 Ų10643.4 Ų43.457%0.56723%0.229SC*.G310 helixtrans-52.7-36.5175.3-70.2-28000112.2T29 L30 Y53 D54N27-T29 VanDerWaalsContact C-N 3.31Å; N27-T29 PolarHBondContact O-N 3.26Å; N27-L30 WeakPolarHBondContact O-CB 3.38Å; N27-L30 PolarHBondContact O-N 3.12Å; N27-Y53 WeakPolarHBondContact OD1-CA 3.26Å; N27-Y53 WeakPolarHBondContact OD1-CB 3.1Å; N27-D54 PolarHBondContact OD1-N 3.07Å
28A89.1Confident93Very high99 Ų9948.2 Ų48.282%0.81825%0.251SS*.G310 helixtrans-68.7-24.2177.200000114.4T26T26-A28 PolarHBondContact O-N 2.8Å; T26-A28 VanDerWaalsContact O-N 3.13Å
29T90.7Very high92.9Very high42 Ų4253 Ų5326%0.25827%0.273SS..G310 helixtrans-105.34.4179.762.50000113T26 N27 N31 K32 F33T26-T29 PolarHBondContact N-OG1 3.4Å; T26-T29 CarbonylContact O-C 3.58Å; T26-T29 PolarHBondContact O-N 3.31Å; T26-T29 PolarHBondContact O-OG1 2.95Å; T26-T29 PolarHBondContact OG1-OG1 3.19Å; N27-T29 VanDerWaalsContact C-N 3.31Å; N27-T29 PolarHBondContact O-N 3.26Å; T29-N31 PolarHBondContact O-N 2.9Å; T29-K32 PolarHBondContact O-N 3.42Å; T29-F33 PolarHBondContact O-N 3Å
30L92.3Very high92.9Very high6 Ų655.7 Ų55.73%0.03128%0.284CS..Hα-helixtrans-63.9-39.3-169.7-168.861.4000112.6P25 T26 N27 K32 F33 I34 Y53 D54 P57 V58P25-L30 HydrophobicContact CB-CD1 4.33Å; P25-L30 HydrophobicContact CG-CD1 4.08Å; T26-L30 PolarHBondContact O-N 3.15Å; T26-L30 VanDerWaalsContact O-N 3.08Å; N27-L30 WeakPolarHBondContact O-CB 3.38Å; N27-L30 PolarHBondContact O-N 3.12Å; L30-K32 PolarHBondContact O-N 3.2Å; L30-F33 HydrophobicContact CD1-CD1 4.12Å; L30-F33 WeakPolarHBondContact O-CB 3.45Å; L30-F33 PolarHBondContact O-N 2.87Å; L30-F33 VanDerWaalsContact O-N 3.16Å; L30-I34 HydrophobicContact CG-CD1 4.16Å; L30-I34 VanDerWaalsContact O-CG1 3.31Å; L30-I34 WeakPolarHBondContact O-CG1 3.38Å; L30-I34 PolarHBondContact O-N 3.11Å; L30-Y53 HydrophobicContact CD1-CD2 3.6Å; L30-Y53 HydrophobicContact CD1-CE2 3.84Å; L30-Y53 HydrophobicContact CD1-CG 4.32Å; L30-Y53 HydrophobicContact CD2-CD2 4.34Å; L30-D54 WeakPolarHBondContact CD2-O 3.38Å; L30-P57 HydrophobicContact CD2-CB 3.88Å; L30-P57 HydrophobicContact CD2-CG 3.78Å; L30-V58 HydrophobicContact CD1-CG2 3.83Å; L30-V58 HydrophobicContact CG-CG2 4.37Å
31N93.9Very high92.8Very high117 Ų11757.4 Ų57.463%0.62630%0.301SS*.Hα-helixtrans-61.2-45.2177.3-65.8-16.3000111.9T29 F33 I34 E35T29-N31 PolarHBondContact O-N 2.9Å; N31-F33 VanDerWaalsContact C-N 3.29Å; N31-F33 PolarHBondContact O-N 2.97Å; N31-I34 PolarHBondContact O-N 3.37Å; N31-E35 WeakPolarHBondContact O-CG 3.27Å; N31-E35 PolarHBondContact O-N 2.85Å
32K93.3Very high93Very high155 Ų15557.7 Ų57.767%0.67430%0.303SS*.Hα-helixtrans-64.2-36.9175.8-67.4-176.8177.9179.80112T29 L30 E35 E36T29-K32 PolarHBondContact O-N 3.42Å; L30-K32 PolarHBondContact O-N 3.2Å; K32-E35 PolarHBondContact O-N 3.21Å; K32-E36 WeakPolarHBondContact O-CB 3.33Å; K32-E36 PolarHBondContact O-N 3.17Å
33F93.9Very high93.2Very high6 Ų659.4 Ų59.43%0.02631%0.314CS..Hα-helixtrans-62.9-44.8175178.3-107.6000111T22 P25 T29 L30 N31 E36 L37T22-F33 HydrophobicContact CG2-CE2 4.31Å; P25-F33 HydrophobicContact CB-CB 3.91Å; P25-F33 HydrophobicContact CB-CD1 4.12Å; P25-F33 HydrophobicContact CB-CD2 4.12Å; P25-F33 HydrophobicContact CB-CG 3.8Å; P25-F33 HydrophobicContact CG-CD1 3.79Å; P25-F33 HydrophobicContact CG-CD2 4.24Å; P25-F33 HydrophobicContact CG-CE1 3.91Å; P25-F33 HydrophobicContact CG-CE2 4.37Å; P25-F33 HydrophobicContact CG-CG 3.94Å; P25-F33 HydrophobicContact CG-CZ 4.21Å; T29-F33 PolarHBondContact O-N 3Å; L30-F33 HydrophobicContact CD1-CD1 4.12Å; L30-F33 WeakPolarHBondContact O-CB 3.45Å; L30-F33 PolarHBondContact O-N 2.87Å; L30-F33 VanDerWaalsContact O-N 3.16Å; N31-F33 VanDerWaalsContact C-N 3.29Å; N31-F33 PolarHBondContact O-N 2.97Å; F33-E36 WeakPolarHBondContact O-CB 3.47Å; F33-E36 PolarHBondContact O-N 3.33Å; F33-L37 HydrophobicContact CD1-CD1 3.89Å; F33-L37 HydrophobicContact CD1-CG 4.26Å; F33-L37 HydrophobicContact CE1-CD1 3.47Å; F33-L37 VanDerWaalsContact CE1-CD1 3.47Å; F33-L37 HydrophobicContact CE1-CD2 4.37Å; F33-L37 HydrophobicContact CE1-CG 4.02Å; F33-L37 HydrophobicContact CE2-CD2 4.22Å; F33-L37 HydrophobicContact CE2-CG 4.43Å; F33-L37 HydrophobicContact CZ-CD1 3.92Å; F33-L37 HydrophobicContact CZ-CD2 3.97Å; F33-L37 HydrophobicContact CZ-CG 4.11Å; F33-L37 WeakPolarHBondContact O-CG 3.3Å; F33-L37 PolarHBondContact O-N 2.87Å
34I95.6Very high93.7Very high10 Ų1058 Ų585%0.05131%0.307CS..Hα-helixtrans-62.9-43.8176.9-65.6161.4000111.6L30 N31 E36 L37 K38 P57 V58 E61 I63L30-I34 HydrophobicContact CG-CD1 4.16Å; L30-I34 VanDerWaalsContact O-CG1 3.31Å; L30-I34 WeakPolarHBondContact O-CG1 3.38Å; L30-I34 PolarHBondContact O-N 3.11Å; N31-I34 PolarHBondContact O-N 3.37Å; I34-E36 VanDerWaalsContact C-N 3.27Å; I34-E36 PolarHBondContact O-N 2.9Å; I34-L37 PolarHBondContact O-N 3.45Å; I34-K38 HydrophobicContact CG2-CD 4.31Å; I34-K38 HydrophobicContact CG2-CG 4.49Å; I34-K38 WeakPolarHBondContact O-CG 3.25Å; I34-K38 PolarHBondContact O-N 3Å; I34-P57 HydrophobicContact CD1-CB 4.05Å; I34-P57 WeakPolarHBondContact CD1-O 3.36Å; I34-V58 HydrophobicContact CD1-CG2 4.06Å; I34-V58 HydrophobicContact CG1-CB 4.48Å; I34-V58 HydrophobicContact CG1-CG2 3.89Å; I34-E61 HydrophobicContact CG2-CB 4.03Å; I34-E61 HydrophobicContact CG2-CG 3.92Å; I34-I63 HydrophobicContact CG2-CD1 4.5Å
35E95.6Very high94.1Very high131 Ų13156.8 Ų56.861%0.61230%0.301SS*.Hα-helixtrans-57.4-42.5174-72.4170.8-169.900111.7N31 K32 K38 K39N31-E35 WeakPolarHBondContact O-CG 3.27Å; N31-E35 PolarHBondContact O-N 2.85Å; K32-E35 PolarHBondContact O-N 3.21Å; E35-K38 PolarHBondContact O-N 2.96Å; E35-K39 PolarHBondContact O-N 3.39Å
36E94.8Very high94.4Very high54 Ų5456.8 Ų56.825%0.25230%0.301SS..Hα-helixtrans-64.3-46.7176.1-172.8168.8-112.700111.6P9 K32 F33 I34 K38 K39 Y40P9-E36 WeakPolarHBondContact CG-OE1 3.5Å; K32-E36 WeakPolarHBondContact O-CB 3.33Å; K32-E36 PolarHBondContact O-N 3.17Å; F33-E36 WeakPolarHBondContact O-CB 3.47Å; F33-E36 PolarHBondContact O-N 3.33Å; I34-E36 VanDerWaalsContact C-N 3.27Å; I34-E36 PolarHBondContact O-N 2.9Å; E36-K38 VanDerWaalsContact C-N 3.32Å; E36-K38 PolarHBondContact O-N 3.35Å; E36-K39 WeakPolarHBondContact O-CB 3.36Å; E36-K39 PolarHBondContact O-N 3.04Å; E36-K39 VanDerWaalsContact O-N 3.17Å; E36-Y40 HydrophobicContact CG-CD2 4.21Å; E36-Y40 HydrophobicContact CG-CE2 3.94Å; E36-Y40 VanDerWaalsContact O-CD2 3.23Å; E36-Y40 WeakPolarHBondContact O-CD2 3.41Å; E36-Y40 PolarHBondContact O-N 3.29Å
37L96.4Very high94.8Very high0 Ų054.5 Ų54.50%029%0.285CS..Hα-helixtrans-57-45.6176-69.2-175.7000111.9L20 F33 I34 K39 Y40 G41 V42 V45 V58 I63 A101L20-L37 HydrophobicContact CD2-CD2 4.17Å; F33-L37 HydrophobicContact CD1-CD1 3.89Å; F33-L37 HydrophobicContact CD1-CG 4.26Å; F33-L37 HydrophobicContact CE1-CD1 3.47Å; F33-L37 VanDerWaalsContact CE1-CD1 3.47Å; F33-L37 HydrophobicContact CE1-CD2 4.37Å; F33-L37 HydrophobicContact CE1-CG 4.02Å; F33-L37 HydrophobicContact CE2-CD2 4.22Å; F33-L37 HydrophobicContact CE2-CG 4.43Å; F33-L37 HydrophobicContact CZ-CD1 3.92Å; F33-L37 HydrophobicContact CZ-CD2 3.97Å; F33-L37 HydrophobicContact CZ-CG 4.11Å; F33-L37 WeakPolarHBondContact O-CG 3.3Å; F33-L37 PolarHBondContact O-N 2.87Å; I34-L37 PolarHBondContact O-N 3.45Å; L37-K39 VanDerWaalsContact C-N 3.34Å; L37-K39 PolarHBondContact O-N 3.4Å; L37-Y40 PolarHBondContact O-N 3.43Å; L37-G41 PolarHBondContact O-N 3.43Å; L37-V42 HydrophobicContact CB-CB 4.05Å; L37-V42 HydrophobicContact CB-CG2 4.43Å; L37-V42 HydrophobicContact CD2-CB 4.2Å; L37-V42 HydrophobicContact CD2-CG1 4.16Å; L37-V42 HydrophobicContact CD2-CG2 4.02Å; L37-V42 WeakPolarHBondContact O-CB 3.29Å; L37-V42 WeakPolarHBondContact O-CG2 3.44Å; L37-V42 PolarHBondContact O-N 3.41Å; L37-V45 HydrophobicContact CD1-CG2 3.48Å; L37-V45 VanDerWaalsContact CD1-CG2 3.48Å; L37-V45 HydrophobicContact CD2-CG2 4.3Å; L37-V58 HydrophobicContact CD1-CG1 4.39Å; L37-I63 HydrophobicContact CB-CD1 3.83Å; L37-I63 HydrophobicContact CD1-CD1 4.01Å; L37-I63 HydrophobicContact CD1-CG2 4.4Å; L37-A101 HydrophobicContact CD2-CB 3.84Å
38K96.1Very high95.1Very high102 Ų10249.4 Ų49.444%0.44326%0.258SS..Hα-helixtrans-61.7-40.9176.9-74.2-179.5174.2-171.30112.4I34 E35 E36 Y40 G41 E61 I63I34-K38 HydrophobicContact CG2-CD 4.31Å; I34-K38 HydrophobicContact CG2-CG 4.49Å; I34-K38 WeakPolarHBondContact O-CG 3.25Å; I34-K38 PolarHBondContact O-N 3Å; E35-K38 PolarHBondContact O-N 2.96Å; E36-K38 VanDerWaalsContact C-N 3.32Å; E36-K38 PolarHBondContact O-N 3.35Å; K38-Y40 PolarHBondContact O-N 3.07Å; K38-G41 PolarHBondContact O-N 3.26Å; K38-E61 IonicContact NZ-OE2 2.59Å; K38-E61 PolarHBondContact NZ-OE2 3.19Å; K38-I63 HydrophobicContact CG-CD1 4.4Å
39K95.8Very high95.1Very high172 Ų17244.9 Ų44.975%0.74822%0.22SC*.Hα-helixtrans-57.6-35.8177.3-178.8-177.7175.5-177.50112.4E35 E36 L37 G41E35-K39 PolarHBondContact O-N 3.39Å; E36-K39 WeakPolarHBondContact O-CB 3.36Å; E36-K39 PolarHBondContact O-N 3.04Å; E36-K39 VanDerWaalsContact O-N 3.17Å; L37-K39 VanDerWaalsContact C-N 3.34Å; L37-K39 PolarHBondContact O-N 3.4Å; K39-G41 VanDerWaalsContact C-N 3.34Å
40Y96.1Very high94.9Very high55 Ų5550.5 Ų50.522%0.21624%0.244CC..THydrogen-bonded Turntrans-86.6-3.4177.5-72.2-79.8000113.7P9 E11 R18 L20 E36 L37 K38 C99P9-Y40 HydrophobicContact CG-CE2 4.27Å; E11-Y40 HydrophobicContact CB-CE1 4.44Å; R18-Y40 PolarHBondContact NH2-O 2.97Å; L20-Y40 HydrophobicContact CD1-CD1 3.89Å; L20-Y40 HydrophobicContact CD1-CD2 3.94Å; L20-Y40 HydrophobicContact CD1-CE1 4.06Å; L20-Y40 HydrophobicContact CD1-CE2 4.12Å; L20-Y40 HydrophobicContact CD1-CG 3.84Å; L20-Y40 HydrophobicContact CD2-CD2 3.63Å; L20-Y40 HydrophobicContact CD2-CE2 4.33Å; L20-Y40 HydrophobicContact CD2-CG 3.88Å; L20-Y40 HydrophobicContact CG-CD2 4.46Å; L20-Y40 HydrophobicContact CG-CG 4.48Å; E36-Y40 HydrophobicContact CG-CD2 4.21Å; E36-Y40 HydrophobicContact CG-CE2 3.94Å; E36-Y40 VanDerWaalsContact O-CD2 3.23Å; E36-Y40 WeakPolarHBondContact O-CD2 3.41Å; E36-Y40 PolarHBondContact O-N 3.29Å; L37-Y40 PolarHBondContact O-N 3.43Å; K38-Y40 PolarHBondContact O-N 3.07Å; Y40-C99 WeakPolarHBondContact O-CB 3.41Å
41G96.1Very high94.8Very high36 Ų3653.1 Ų53.137%0.37127%0.267SS..THydrogen-bonded Turntrans69.836.3-175.500000112.4L37 K38 K39 C99L37-G41 PolarHBondContact O-N 3.43Å; K38-G41 PolarHBondContact O-N 3.26Å; K39-G41 VanDerWaalsContact C-N 3.34Å; G41-C99 PolarHBondContact O-N 3.09Å
42V97.8Very high94.5Very high7 Ų751.2 Ų51.24%0.04226%0.259CS..EExtended strand (participates in β ladder)trans-73.9127.3178175.90000110L20 L37 T44 V45 I63 C99 A101L20-V42 HydrophobicContact CB-CG2 4.29Å; L20-V42 HydrophobicContact CD2-CG2 3.87Å; L37-V42 HydrophobicContact CB-CB 4.05Å; L37-V42 HydrophobicContact CB-CG2 4.43Å; L37-V42 HydrophobicContact CD2-CB 4.2Å; L37-V42 HydrophobicContact CD2-CG1 4.16Å; L37-V42 HydrophobicContact CD2-CG2 4.02Å; L37-V42 WeakPolarHBondContact O-CB 3.29Å; L37-V42 WeakPolarHBondContact O-CG2 3.44Å; L37-V42 PolarHBondContact O-N 3.41Å; V42-T44 VanDerWaalsContact CG1-O 3.26Å; V42-T44 WeakPolarHBondContact CG1-O 3.36Å; V42-V45 HydrophobicContact CG1-CG2 4.09Å; V42-I63 HydrophobicContact CG1-CG2 4.37Å; V42-C99 VanDerWaalsContact CA-O 3.23Å; V42-C99 WeakPolarHBondContact CA-O 3.47Å; V42-C99 HydrophobicContact CG2-CB 3.94Å; V42-A101 HydrophobicContact CG1-CB 3.69Å; V42-A101 HydrophobicContact CG2-CB 4.11Å
43T97.4Very high94.4Very high35 Ų3544.4 Ų44.422%0.21523%0.229CC..EExtended strand (participates in β ladder)trans-111.3-14.1175.964.70000112.8Q64 E95 C98 C99T43-Q64 PolarHBondContact O-N 3.37Å; T43-E95 WeakPolarHBondContact CB-OE2 3.39Å; T43-E95 VanDerWaalsContact CG2-OE2 3.23Å; T43-E95 WeakPolarHBondContact CG2-OE2 3.45Å; T43-E95 PolarHBondContact OG1-OE2 2.85Å; T43-C98 HydrophobicContact CG2-CB 4.1Å; T43-C99 PolarHBondContact N-O 2.84Å
44T98.1Very high94.2Very high0 Ų048.5 Ų48.50%025%0.252CS..EExtended strand (participates in β ladder)trans-143.1137.3176.7-540000111.4V42 Q64 L66 L87 K91 I100 A101V42-T44 VanDerWaalsContact CG1-O 3.26Å; V42-T44 WeakPolarHBondContact CG1-O 3.36Å; T44-Q64 CarbonylContact C-O 3.5Å; T44-Q64 VanDerWaalsContact CA-O 3.3Å; T44-Q64 WeakPolarHBondContact CA-O 3.41Å; T44-Q64 HydrophobicContact CG2-CB 4.29Å; T44-L66 HydrophobicContact CG2-CD1 3.83Å; T44-L66 HydrophobicContact CG2-CG 4.29Å; T44-L87 HydrophobicContact CG2-CD1 4.41Å; T44-L87 HydrophobicContact CG2-CD2 4.22Å; T44-K91 WeakPolarHBondContact OG1-CE 3.21Å; T44-I100 CarbonylContact O-C 3.5Å; T44-I100 WeakPolarHBondContact O-CA 3.26Å; T44-A101 PolarHBondContact O-N 3.29Å
45V97.4Very high94.2Very high0 Ų049.4 Ų49.40%026%0.257CS..EExtended strand (participates in β ladder)trans-116.8123.5175.6178.90000108.9L37 V42 I63 Q64 V65 L66 A101L37-V45 HydrophobicContact CD1-CG2 3.48Å; L37-V45 VanDerWaalsContact CD1-CG2 3.48Å; L37-V45 HydrophobicContact CD2-CG2 4.3Å; V42-V45 HydrophobicContact CG1-CG2 4.09Å; V45-I63 HydrophobicContact CG2-CG2 3.61Å; V45-Q64 PolarHBondContact N-O 3.18Å; V45-V65 HydrophobicContact CB-CG2 4.45Å; V45-V65 CarbonylContact O-C 3.56Å; V45-V65 WeakPolarHBondContact O-CA 3.19Å; V45-L66 PolarHBondContact O-N 3.11Å; V45-A101 CarbonylContact C-O 3.35Å; V45-A101 WeakPolarHBondContact CA-O 3.46Å; V45-A101 HydrophobicContact CG2-CB 4.09Å
46V97.2Very high94.2Very high0 Ų045.5 Ų45.50%025%0.248CC..EExtended strand (participates in β ladder)trans-104.2118.9174.1-177.60000109.7V48 L66 W68 W84 L87 I100 A101 V102 H103 L114V46-V48 HydrophobicContact CG1-CG1 4.03Å; V46-L66 WeakPolarHBondContact CA-O 3.39Å; V46-L66 HydrophobicContact CG2-CB 4.42Å; V46-L66 HydrophobicContact CG2-CD1 4.42Å; V46-W68 HydrophobicContact CG1-CD2 4.07Å; V46-W68 HydrophobicContact CG1-CE3 3.41Å; V46-W68 VanDerWaalsContact CG1-CE3 3.41Å; V46-W68 HydrophobicContact CG1-CZ3 3.92Å; V46-W68 HydrophobicContact CG2-CE3 4.44Å; V46-W68 HydrophobicContact CG2-CZ3 4.13Å; V46-W84 HydrophobicContact CG2-CE3 4.33Å; V46-W84 HydrophobicContact CG2-CZ3 3.92Å; V46-L87 HydrophobicContact CG2-CD2 3.86Å; V46-I100 HydrophobicContact CG2-CG2 4.28Å; V46-A101 PolarHBondContact N-O 3.11Å; V46-V102 HydrophobicContact CB-CG1 4.42Å; V46-V102 HydrophobicContact CB-CG2 4.44Å; V46-V102 WeakPolarHBondContact O-CA 3.41Å; V46-H103 PolarHBondContact O-N 2.99Å; V46-L114 HydrophobicContact CG1-CD1 4.33Å
47R95.5Very high94.2Very high11 Ų1145 Ų454%0.04225%0.249CC..EExtended strand (participates in β ladder)trans-93.5117.8174.8-46.8-158.8-71.8-167.7-7.7108.7Y53 T55 V65 L66 D67 W68 H103R47-Y53 WeakPolarHBondContact CD-OH 3.48Å; R47-Y53 PolarHBondContact NH1-O 3.25Å; R47-T55 VanDerWaalsContact CZ-CG2 3.49Å; R47-V65 HydrophobicContact CG-CG1 3.83Å; R47-L66 PolarHBondContact N-O 3.35Å; R47-D67 IonicContact CZ-OD1 3.14Å; R47-D67 IonicContact CZ-OD2 3.64Å; R47-D67 IonicContact NE-OD1 2.64Å; R47-D67 PolarHBondContact NE-OD1 2.91Å; R47-D67 IonicContact NE-OD2 3.71Å; R47-D67 IonicContact NH2-OD1 2.92Å; R47-D67 PolarHBondContact NH2-OD1 3Å; R47-D67 IonicContact NH2-OD2 2.73Å; R47-D67 PolarHBondContact NH2-OD2 3.35Å; R47-W68 CarbonylContact O-C 3.57Å; R47-W68 PolarHBondContact O-N 3.28Å; R47-H103 VanDerWaalsContact CG-NE2 3.34Å; R47-H103 WeakPolarHBondContact CG-NE2 3.37Å
48V93.3Very high94.1Very high0 Ų045 Ų450%025%0.249CC..  trans-106.713179.2-59.20000113.3V46 W68 F70 V102 H103 C104 R110 A111 L114V46-V48 HydrophobicContact CG1-CG1 4.03Å; V48-W68 WeakPolarHBondContact CA-O 3.35Å; V48-F70 HydrophobicContact CB-CD1 4.13Å; V48-F70 HydrophobicContact CB-CE1 3.61Å; V48-F70 HydrophobicContact CB-CZ 4.35Å; V48-F70 HydrophobicContact CG1-CE1 3.83Å; V48-F70 HydrophobicContact CG2-CE1 4.34Å; V48-V102 HydrophobicContact CG1-CG1 4.04Å; V48-V102 HydrophobicContact CG2-CG1 4.5Å; V48-H103 VanDerWaalsContact CG2-O 3.27Å; V48-H103 WeakPolarHBondContact CG2-O 3.48Å; V48-H103 PolarHBondContact N-O 2.84Å; V48-C104 HydrophobicContact CG2-CB 3.85Å; V48-R110 HydrophobicContact CB-CB 4.46Å; V48-R110 HydrophobicContact CG2-CB 3.66Å; V48-R110 PolarHBondContact O-NH1 3.02Å; V48-A111 HydrophobicContact CG2-CB 4.22Å; V48-L114 HydrophobicContact CG1-CD1 3.49Å; V48-L114 VanDerWaalsContact CG1-CD1 3.49Å; V48-L114 HydrophobicContact CG1-CG 4.35Å
49C90Very high94.2Very high3 Ų344.6 Ų44.62%0.0225%0.249CC..SBendtrans-128.4176.3171.964.30000110C104 V105C49-C104 PolarHBondContact SG-O 3.43Å; C49-V105 HydrophobicContact CB-CG2 4.12Å
50E86.6Confident94.2Very high160 Ų16044.8 Ų44.875%0.74825%0.25SC*.  trans-53141.8173.1-62.9-178.7159.400111.3T52E50-T52 PolarHBondContact O-N 2.89Å
51A89.2Confident94.2Very high62 Ų6246.5 Ų46.551%0.51226%0.26SS..  trans-71.7123.9178.200000110.2
52T88.8Confident94.2Very high76 Ų7647.8 Ų47.847%0.46627%0.273SS..  trans-122.4-0.4-178.2650000113.8N24 E50N24-T52 PolarHBondContact ND2-OG1 2.78Å; N24-T52 PolarHBondContact OD1-OG1 3.32Å; E50-T52 PolarHBondContact O-N 2.89Å
53Y90.4Very high94.1Very high12 Ų1247.7 Ų47.75%0.04727%0.272CS..SBendtrans-145.2154.4-177.970.1-93.6000110.5P25 N27 L30 R47 V58 H103P25-Y53 HydrophobicContact CG-CD1 3.61Å; P25-Y53 HydrophobicContact CG-CD2 4.36Å; P25-Y53 HydrophobicContact CG-CE1 3.48Å; P25-Y53 VanDerWaalsContact CG-CE1 3.48Å; P25-Y53 HydrophobicContact CG-CE2 4.29Å; P25-Y53 HydrophobicContact CG-CG 4.05Å; N27-Y53 WeakPolarHBondContact OD1-CA 3.26Å; N27-Y53 WeakPolarHBondContact OD1-CB 3.1Å; L30-Y53 HydrophobicContact CD1-CD2 3.6Å; L30-Y53 HydrophobicContact CD1-CE2 3.84Å; L30-Y53 HydrophobicContact CD1-CG 4.32Å; L30-Y53 HydrophobicContact CD2-CD2 4.34Å; R47-Y53 WeakPolarHBondContact CD-OH 3.48Å; R47-Y53 PolarHBondContact NH1-O 3.25Å; Y53-V58 HydrophobicContact CE2-CG2 4.13Å; Y53-H103 AromaticContact CE1-CE1 3.69Å; Y53-H103 AromaticContact CE1-NE2 3.62Å; Y53-H103 AromaticContact CZ-NE2 3.84Å; Y53-H103 PolarHBondContact OH-NE2 2.97Å; Y53-H103 VanDerWaalsContact OH-NE2 3.16Å
54D91.3Very high94.1Very high93 Ų9350 Ų5050%0.49728%0.28SS..  trans-72130.4178.9-178.616.8000111.2N27 L30 A56 P57N27-D54 PolarHBondContact OD1-N 3.07Å; L30-D54 WeakPolarHBondContact CD2-O 3.38Å; D54-A56 PolarHBondContact OD1-N 3.43Å; D54-P57 WeakPolarHBondContact O-CD 3.2Å
55T94.6Very high94.1Very high28 Ų2850.6 Ų50.617%0.17228%0.284CS..SBendtrans-82.2-21.5-18059.70000112.5R47 P57 V58 E59 V65R47-T55 VanDerWaalsContact CZ-CG2 3.49Å; T55-P57 VanDerWaalsContact C-CD 3.48Å; T55-P57 VanDerWaalsContact C-N 3.33Å; T55-V58 WeakPolarHBondContact O-CA 3.45Å; T55-V58 WeakPolarHBondContact O-CB 3.35Å; T55-V58 PolarHBondContact O-N 2.87Å; T55-E59 PolarHBondContact O-N 3.23Å; T55-E59 PolarHBondContact OG1-OE2 3.5Å; T55-V65 HydrophobicContact CG2-CB 3.9Å; T55-V65 HydrophobicContact CG2-CG1 3.66Å; T55-V65 HydrophobicContact CG2-CG2 4.16Å
56A95.1Very high94.1Very high50 Ų5052.1 Ų52.141%0.41329%0.292SS..Hα-helixtrans-54.4-40.6-173.500000113.7D54 V58 E59 K60D54-A56 PolarHBondContact OD1-N 3.43Å; A56-V58 VanDerWaalsContact C-N 3.33Å; A56-V58 PolarHBondContact O-N 3.35Å; A56-E59 PolarHBondContact O-N 3.43Å; A56-K60 VanDerWaalsContact O-CB 3.24Å; A56-K60 WeakPolarHBondContact O-CB 3.24Å; A56-K60 PolarHBondContact O-N 2.97Å
57P95Very high94Very high43 Ų4355.7 Ų55.728%0.27931%0.311SS..Hα-helixtrans-66.8-31.6175.5-23.136.4000113.7L30 I34 D54 T55 E61L30-P57 HydrophobicContact CD2-CB 3.88Å; L30-P57 HydrophobicContact CD2-CG 3.78Å; I34-P57 HydrophobicContact CD1-CB 4.05Å; I34-P57 WeakPolarHBondContact CD1-O 3.36Å; D54-P57 WeakPolarHBondContact O-CD 3.2Å; T55-P57 VanDerWaalsContact C-CD 3.48Å; T55-P57 VanDerWaalsContact C-N 3.33Å; P57-E61 WeakPolarHBondContact O-CG 3.42Å
58V95.6Very high94Very high0 Ų057.1 Ų57.10%032%0.317CS..Hα-helixtrans-74.4-44.7178.1-1780000110L30 I34 L37 Y53 T55 A56 E61 I63 V65L30-V58 HydrophobicContact CD1-CG2 3.83Å; L30-V58 HydrophobicContact CG-CG2 4.37Å; I34-V58 HydrophobicContact CD1-CG2 4.06Å; I34-V58 HydrophobicContact CG1-CB 4.48Å; I34-V58 HydrophobicContact CG1-CG2 3.89Å; L37-V58 HydrophobicContact CD1-CG1 4.39Å; Y53-V58 HydrophobicContact CE2-CG2 4.13Å; T55-V58 WeakPolarHBondContact O-CA 3.45Å; T55-V58 WeakPolarHBondContact O-CB 3.35Å; T55-V58 PolarHBondContact O-N 2.87Å; A56-V58 VanDerWaalsContact C-N 3.33Å; A56-V58 PolarHBondContact O-N 3.35Å; V58-E61 PolarHBondContact O-N 3.21Å; V58-E61 VanDerWaalsContact O-N 3.17Å; V58-I63 HydrophobicContact CG1-CB 3.74Å; V58-I63 HydrophobicContact CG1-CD1 4.45Å; V58-I63 HydrophobicContact CG1-CG2 3.78Å; V58-I63 PolarHBondContact O-N 3.12Å; V58-V65 HydrophobicContact CB-CG2 3.99Å; V58-V65 HydrophobicContact CG1-CG2 3.66Å
59E96.3Very high94Very high94 Ų9460.7 Ų60.744%0.43934%0.34SS..Hα-helixtrans-68.5-35.2-179.7-67.3178.6124.500112.3T55 A56 E61 G62 I63 V65T55-E59 PolarHBondContact O-N 3.23Å; T55-E59 PolarHBondContact OG1-OE2 3.5Å; A56-E59 PolarHBondContact O-N 3.43Å; E59-E61 PolarHBondContact O-N 2.91Å; E59-E61 VanDerWaalsContact O-N 3.14Å; E59-G62 PolarHBondContact O-N 3.45Å; E59-I63 WeakPolarHBondContact CA-O 3.41Å; E59-V65 HydrophobicContact CG-CG2 4.11Å
60K96.5Very high94Very high175 Ų17561.3 Ų61.376%0.76134%0.342SS*.THydrogen-bonded Turntrans-57.1-27.9172.9-175.7176.9179.4-177.10112.7A56 G62A56-K60 VanDerWaalsContact O-CB 3.24Å; A56-K60 WeakPolarHBondContact O-CB 3.24Å; A56-K60 PolarHBondContact O-N 2.97Å; K60-G62 VanDerWaalsContact C-N 3.27Å
61E96.1Very high94.1Very high91 Ų9159.8 Ų59.843%0.42534%0.339SS..THydrogen-bonded Turntrans-91.512.6179.7-60.8-64.416200112.8I34 K38 P57 V58 E59I34-E61 HydrophobicContact CG2-CB 4.03Å; I34-E61 HydrophobicContact CG2-CG 3.92Å; K38-E61 IonicContact NZ-OE2 2.59Å; K38-E61 PolarHBondContact NZ-OE2 3.19Å; P57-E61 WeakPolarHBondContact O-CG 3.42Å; V58-E61 PolarHBondContact O-N 3.21Å; V58-E61 VanDerWaalsContact O-N 3.17Å; E59-E61 PolarHBondContact O-N 2.91Å; E59-E61 VanDerWaalsContact O-N 3.14Å
62G95.4Very high93.7Very high63 Ų6362.5 Ų62.565%0.64935%0.345SS*.THydrogen-bonded Turntrans81.41217600000114.5E59 K60E59-G62 PolarHBondContact O-N 3.45Å; K60-G62 VanDerWaalsContact C-N 3.27Å
63I97.3Very high93.3Very high5 Ų559.3 Ų59.33%0.02633%0.327CS..  trans-99.8114.7-179.7-56.5174.9000108.9I34 L37 K38 V42 V45 V58 E59I34-I63 HydrophobicContact CG2-CD1 4.5Å; L37-I63 HydrophobicContact CB-CD1 3.83Å; L37-I63 HydrophobicContact CD1-CD1 4.01Å; L37-I63 HydrophobicContact CD1-CG2 4.4Å; K38-I63 HydrophobicContact CG-CD1 4.4Å; V42-I63 HydrophobicContact CG1-CG2 4.37Å; V45-I63 HydrophobicContact CG2-CG2 3.61Å; V58-I63 HydrophobicContact CG1-CB 3.74Å; V58-I63 HydrophobicContact CG1-CD1 4.45Å; V58-I63 HydrophobicContact CG1-CG2 3.78Å; V58-I63 PolarHBondContact O-N 3.12Å; E59-I63 WeakPolarHBondContact CA-O 3.41Å
64Q97.4Very high93Very high83 Ų8360.1 Ų60.139%0.38834%0.336SS..EExtended strand (participates in β ladder)trans-69.6134.3178.1-175.9176.822.700110.7T43 T44 V45 L66T43-Q64 PolarHBondContact O-N 3.37Å; T44-Q64 CarbonylContact C-O 3.5Å; T44-Q64 VanDerWaalsContact CA-O 3.3Å; T44-Q64 WeakPolarHBondContact CA-O 3.41Å; T44-Q64 HydrophobicContact CG2-CB 4.29Å; V45-Q64 PolarHBondContact N-O 3.18Å; Q64-L66 HydrophobicContact CG-CD2 4.33Å; Q64-L66 HydrophobicContact CG-CG 4.37Å
65V96.9Very high92.9Very high13 Ų1358.8 Ų58.88%0.07933%0.333CS..EExtended strand (participates in β ladder)trans-111.1132.9174.1-172.10000110.1V45 R47 T55 V58 E59V45-V65 HydrophobicContact CB-CG2 4.45Å; V45-V65 CarbonylContact O-C 3.56Å; V45-V65 WeakPolarHBondContact O-CA 3.19Å; R47-V65 HydrophobicContact CG-CG1 3.83Å; T55-V65 HydrophobicContact CG2-CB 3.9Å; T55-V65 HydrophobicContact CG2-CG1 3.66Å; T55-V65 HydrophobicContact CG2-CG2 4.16Å; V58-V65 HydrophobicContact CB-CG2 3.99Å; V58-V65 HydrophobicContact CG1-CG2 3.66Å; E59-V65 HydrophobicContact CG-CG2 4.11Å
66L96.9Very high92.9Very high32 Ų3257.7 Ų57.717%0.16833%0.326CS..EExtended strand (participates in β ladder)trans-124.4135.2179.8-62.9172.7000110.4T44 V45 V46 R47 Q64 W68 L87T44-L66 HydrophobicContact CG2-CD1 3.83Å; T44-L66 HydrophobicContact CG2-CG 4.29Å; V45-L66 PolarHBondContact O-N 3.11Å; V46-L66 WeakPolarHBondContact CA-O 3.39Å; V46-L66 HydrophobicContact CG2-CB 4.42Å; V46-L66 HydrophobicContact CG2-CD1 4.42Å; R47-L66 PolarHBondContact N-O 3.35Å; Q64-L66 HydrophobicContact CG-CD2 4.33Å; Q64-L66 HydrophobicContact CG-CG 4.37Å; L66-W68 HydrophobicContact CB-CZ2 4.3Å; L66-W68 HydrophobicContact CD1-CH2 3.98Å; L66-W68 HydrophobicContact CD1-CZ2 3.76Å; L66-L87 HydrophobicContact CD1-CD1 3.87Å; L66-L87 HydrophobicContact CD1-CD2 3.7Å; L66-L87 HydrophobicContact CD1-CG 4.39Å
67D95.6Very high92.9Very high76 Ų7658.2 Ų58.241%0.40633%0.327SS..EExtended strand (participates in β ladder)trans-109.2103.5-177-77.2-59000112.1R47 P69R47-D67 IonicContact CZ-OD1 3.14Å; R47-D67 IonicContact CZ-OD2 3.64Å; R47-D67 IonicContact NE-OD1 2.64Å; R47-D67 PolarHBondContact NE-OD1 2.91Å; R47-D67 IonicContact NE-OD2 3.71Å; R47-D67 IonicContact NH2-OD1 2.92Å; R47-D67 PolarHBondContact NH2-OD1 3Å; R47-D67 IonicContact NH2-OD2 2.73Å; R47-D67 PolarHBondContact NH2-OD2 3.35Å; D67-P69 VanDerWaalsContact C-CD 3.41Å; D67-P69 WeakPolarHBondContact O-CD 3.42Å
68W95.4Very high92.8Very high41 Ų4162 Ų6216%0.15534%0.344CS..  trans-127.463.7178.1-57.9-29.7000111.3V46 R47 V48 L66 I80 D83 W84 L87V46-W68 HydrophobicContact CG1-CD2 4.07Å; V46-W68 HydrophobicContact CG1-CE3 3.41Å; V46-W68 VanDerWaalsContact CG1-CE3 3.41Å; V46-W68 HydrophobicContact CG1-CZ3 3.92Å; V46-W68 HydrophobicContact CG2-CE3 4.44Å; V46-W68 HydrophobicContact CG2-CZ3 4.13Å; R47-W68 CarbonylContact O-C 3.57Å; R47-W68 PolarHBondContact O-N 3.28Å; V48-W68 WeakPolarHBondContact CA-O 3.35Å; L66-W68 HydrophobicContact CB-CZ2 4.3Å; L66-W68 HydrophobicContact CD1-CH2 3.98Å; L66-W68 HydrophobicContact CD1-CZ2 3.76Å; W68-I80 HydrophobicContact CB-CD1 4.41Å; W68-I80 HydrophobicContact CB-CG1 4.21Å; W68-I80 HydrophobicContact CB-CG2 4.11Å; W68-D83 HydrophobicContact CH2-CB 4.14Å; W68-D83 HydrophobicContact CZ2-CB 3.9Å; W68-W84 HydrophobicContact CZ3-CB 3.89Å; W68-W84 AromaticContact CZ3-CE3 3.91Å; W68-W84 HydrophobicContact CZ3-CE3 3.91Å; W68-L87 HydrophobicContact CH2-CB 3.99Å; W68-L87 HydrophobicContact CH2-CD2 3.71Å; W68-L87 HydrophobicContact CH2-CG 4.42Å; W68-L87 HydrophobicContact CZ3-CD2 4.16Å
69P93.4Very high92.8Very high75 Ų7567.4 Ų67.449%0.48737%0.37SS..  trans-65.2142.1-17929.1-35.2000111.5D67D67-P69 VanDerWaalsContact C-CD 3.41Å; D67-P69 WeakPolarHBondContact O-CD 3.42Å
70F91.4Very high92.8Very high16 Ų1663.8 Ų63.87%0.0735%0.353CS..  trans-144.2157.8166.358.9-89.3000110.5V48 P76 I80 R110V48-F70 HydrophobicContact CB-CD1 4.13Å; V48-F70 HydrophobicContact CB-CE1 3.61Å; V48-F70 HydrophobicContact CB-CZ 4.35Å; V48-F70 HydrophobicContact CG1-CE1 3.83Å; V48-F70 HydrophobicContact CG2-CE1 4.34Å; F70-P76 HydrophobicContact CD1-CB 4.12Å; F70-P76 HydrophobicContact CE1-CB 4.08Å; F70-P76 HydrophobicContact CE2-CB 4.48Å; F70-P76 HydrophobicContact CG-CB 4.33Å; F70-P76 HydrophobicContact CZ-CB 4.26Å; F70-I80 HydrophobicContact CB-CD1 4.1Å; F70-I80 HydrophobicContact CD1-CD1 4.19Å; F70-R110 HydrophobicContact CD2-CG 4.09Å; F70-R110 HydrophobicContact CE1-CB 4.31Å; F70-R110 HydrophobicContact CE2-CB 3.66Å; F70-R110 HydrophobicContact CE2-CG 3.51Å; F70-R110 HydrophobicContact CZ-CB 3.52Å; F70-R110 HydrophobicContact CZ-CG 3.94Å; F70-R110 WeakPolarHBondContact O-CD 3.33Å; F70-R110 PolarHBondContact O-NH1 3.04Å
71D87.3Confident92.8Very high128 Ų12855.5 Ų55.568%0.68432%0.318SS*.  trans-61.5147.4-170.9-67.5-19.3000113.2G73 A74D71-G73 PolarHBondContact O-N 3.37Å; D71-A74 HydrophobicContact CB-CB 3.72Å; D71-A74 WeakPolarHBondContact O-CB 3.5Å; D71-A74 PolarHBondContact O-N 2.96Å; D71-A74 VanDerWaalsContact O-N 3.1Å
72D82.1Confident92.8Very high119 Ų11952.8 Ų52.864%0.63631%0.306SS*.THydrogen-bonded Turntrans-67.5129-179.8-163.835.4000111.8A74 R110D72-A74 PolarHBondContact O-N 3.3Å; D72-R110 IonicContact OD1-NE 3.37Å; D72-R110 PolarHBondContact OD1-NE 3.45Å
73G78.7Confident92.9Very high9 Ų952.4 Ų52.49%0.09329%0.289CS..THydrogen-bonded Turntrans67.95.5-173.400000115.7D71 N142 K144D71-G73 PolarHBondContact O-N 3.37Å; G73-N142 WeakPolarHBondContact CA-ND2 3.23Å; G73-K144 WeakPolarHBondContact O-CB 3.22Å; G73-K144 WeakPolarHBondContact O-CD 3.42Å
74A85.5Confident92.9Very high28 Ų2852.1 Ų52.123%0.23129%0.288CS..SBendtrans-89.4154.9164.900000110.8D71 D72D71-A74 HydrophobicContact CB-CB 3.72Å; D71-A74 WeakPolarHBondContact O-CB 3.5Å; D71-A74 PolarHBondContact O-N 2.96Å; D71-A74 VanDerWaalsContact O-N 3.1Å; D72-A74 PolarHBondContact O-N 3.3Å
75P88.8Confident92.8Very high66 Ų6648.2 Ų48.243%0.42927%0.269SS..PPolyproline II helixtrans-71153.9167.231.7-34.8000111.1Y148P75-Y148 HydrophobicContact CB-CD1 4Å; P75-Y148 HydrophobicContact CB-CD2 3.32Å; P75-Y148 HydrophobicContact CB-CE1 4.24Å; P75-Y148 HydrophobicContact CB-CE2 3.6Å; P75-Y148 HydrophobicContact CB-CG 3.53Å; P75-Y148 HydrophobicContact CG-CD2 4.13Å
76P93.7Very high92.8Very high5 Ų551.3 Ų51.33%0.03229%0.285CS..PPolyproline II helixtrans-62.3151.9169.528.7-34.9000110.6F70 I80 V81 V113 L114 L117 Y148F70-P76 HydrophobicContact CD1-CB 4.12Å; F70-P76 HydrophobicContact CE1-CB 4.08Å; F70-P76 HydrophobicContact CE2-CB 4.48Å; F70-P76 HydrophobicContact CG-CB 4.33Å; F70-P76 HydrophobicContact CZ-CB 4.26Å; P76-I80 HydrophobicContact CB-CB 4.2Å; P76-I80 HydrophobicContact CB-CG2 3.91Å; P76-V81 HydrophobicContact CB-CG2 4.15Å; P76-V81 HydrophobicContact CG-CG2 3.77Å; P76-V113 HydrophobicContact CG-CG1 4.32Å; P76-L114 HydrophobicContact CB-CD2 4.27Å; P76-L114 HydrophobicContact CG-CD2 4.2Å; P76-L117 HydrophobicContact CG-CD1 4.07Å; P76-Y148 HydrophobicContact CG-CE1 4.23Å
77S95.1Very high92.7Very high61 Ų6150.9 Ų50.943%0.42728%0.283SS..PPolyproline II helixtrans-68.6158.6173.672.90000111.2Q79 I80 V81S77-Q79 PolarHBondContact O-N 3.09Å; S77-I80 PolarHBondContact O-N 3.03Å; S77-I80 VanDerWaalsContact O-N 3.13Å; S77-I80 WeakPolarHBondContact OG-CG1 3.36Å; S77-I80 PolarHBondContact OG-N 2.91Å; S77-V81 WeakPolarHBondContact O-CG2 3.47Å; S77-V81 PolarHBondContact O-N 3.13Å
78N93.8Very high92.7Very high121 Ų12147.2 Ų47.265%0.64726%0.264SS*.Hα-helixtrans-56.6-35.4176.7-72.5-26000112.5V81 D82N78-V81 PolarHBondContact O-N 2.8Å; N78-D82 WeakPolarHBondContact O-CB 3.36Å; N78-D82 PolarHBondContact O-N 2.82Å
79Q95.8Very high92.6Very high115 Ų11550.4 Ų50.454%0.53728%0.278SS..Hα-helixtrans-63.1-49176.6-175.159.747.500111.4S77 V81 D82 D83S77-Q79 PolarHBondContact O-N 3.09Å; Q79-V81 VanDerWaalsContact C-N 3.27Å; Q79-V81 PolarHBondContact O-N 2.81Å; Q79-D82 PolarHBondContact O-N 3.07Å; Q79-D82 VanDerWaalsContact O-N 3.11Å; Q79-D83 PolarHBondContact NE2-OD1 2.97Å; Q79-D83 PolarHBondContact NE2-OD2 3.17Å; Q79-D83 PolarHBondContact O-N 3.45Å
80I96.3Very high92.6Very high17 Ų1750 Ų509%0.08728%0.275CS..Hα-helixtrans-59.7-40.6177.2-68171.4000110.7W68 F70 P76 S77 W84 L114W68-I80 HydrophobicContact CB-CD1 4.41Å; W68-I80 HydrophobicContact CB-CG1 4.21Å; W68-I80 HydrophobicContact CB-CG2 4.11Å; F70-I80 HydrophobicContact CB-CD1 4.1Å; F70-I80 HydrophobicContact CD1-CD1 4.19Å; P76-I80 HydrophobicContact CB-CB 4.2Å; P76-I80 HydrophobicContact CB-CG2 3.91Å; S77-I80 PolarHBondContact O-N 3.03Å; S77-I80 VanDerWaalsContact O-N 3.13Å; S77-I80 WeakPolarHBondContact OG-CG1 3.36Å; S77-I80 PolarHBondContact OG-N 2.91Å; I80-W84 WeakPolarHBondContact O-CB 3.25Å; I80-W84 PolarHBondContact O-N 3.31Å; I80-L114 HydrophobicContact CG2-CD2 4.26Å
81V96.3Very high92.8Very high2 Ų250.7 Ų50.71%0.01228%0.278CS..Hα-helixtrans-62.9-46.1176.1176.60000110.7P76 S77 N78 Q79 W84 L85 L117 Y152P76-V81 HydrophobicContact CB-CG2 4.15Å; P76-V81 HydrophobicContact CG-CG2 3.77Å; S77-V81 WeakPolarHBondContact O-CG2 3.47Å; S77-V81 PolarHBondContact O-N 3.13Å; N78-V81 PolarHBondContact O-N 2.8Å; Q79-V81 VanDerWaalsContact C-N 3.27Å; Q79-V81 PolarHBondContact O-N 2.81Å; V81-W84 PolarHBondContact O-N 3.01Å; V81-L85 HydrophobicContact CG1-CD1 4.07Å; V81-L85 HydrophobicContact CG1-CG 4.42Å; V81-L85 VanDerWaalsContact O-CG 3.25Å; V81-L85 WeakPolarHBondContact O-CG 3.41Å; V81-L85 PolarHBondContact O-N 3.34Å; V81-L117 HydrophobicContact CG1-CD1 4.37Å; V81-L117 HydrophobicContact CG2-CD1 3.85Å; V81-Y152 HydrophobicContact CG1-CE2 4.25Å
82D95.9Very high93.1Very high34 Ų3444.8 Ų44.818%0.18225%0.246CC..Hα-helixtrans-64-44.5179.7-79-38.4000112.4N78 Q79 L85 N86 K155 R157N78-D82 WeakPolarHBondContact O-CB 3.36Å; N78-D82 PolarHBondContact O-N 2.82Å; Q79-D82 PolarHBondContact O-N 3.07Å; Q79-D82 VanDerWaalsContact O-N 3.11Å; D82-L85 PolarHBondContact O-N 3.44Å; D82-N86 WeakPolarHBondContact O-CB 3.45Å; D82-N86 PolarHBondContact O-N 3.49Å; D82-N86 PolarHBondContact O-ND2 2.99Å; D82-K155 VanDerWaalsContact CG-NZ 3.27Å; D82-K155 IonicContact OD1-NZ 2.64Å; D82-K155 PolarHBondContact OD1-NZ 3.24Å; D82-K155 IonicContact OD2-NZ 3.16Å; D82-K155 PolarHBondContact OD2-NZ 2.9Å; D82-K155 VanDerWaalsContact OD2-NZ 3.16Å; D82-R157 IonicContact OD1-CZ 3.47Å; D82-R157 IonicContact OD1-NH1 2.67Å; D82-R157 PolarHBondContact OD1-NH1 3Å; D82-R157 IonicContact OD1-NH2 3.64Å
83D97Very high93.5Very high54 Ų5448.6 Ų48.629%0.28925%0.251SS..Hα-helixtrans-64.9-41.3177.5-67-27.9000111.8W68 Q79 N86 L87W68-D83 HydrophobicContact CH2-CB 4.14Å; W68-D83 HydrophobicContact CZ2-CB 3.9Å; Q79-D83 PolarHBondContact NE2-OD1 2.97Å; Q79-D83 PolarHBondContact NE2-OD2 3.17Å; Q79-D83 PolarHBondContact O-N 3.45Å; D83-N86 PolarHBondContact O-N 3.31Å; D83-L87 WeakPolarHBondContact O-CB 3.4Å; D83-L87 PolarHBondContact O-N 3.1Å
84W97.5Very high94.2Very high0 Ų054.6 Ų54.60%028%0.277CS..Hα-helixtrans-58.6-52.8173.7172.1-120.1000111.6F19 V46 W68 I80 V81 N86 L87 L88 I100 V102 L114 A118F19-W84 AromaticContact CD1-CH2 3.84Å; F19-W84 HydrophobicContact CD1-CH2 3.84Å; F19-W84 HydrophobicContact CD1-CZ2 4.04Å; F19-W84 AromaticContact CE1-CH2 3.7Å; F19-W84 HydrophobicContact CE1-CH2 3.7Å; F19-W84 AromaticContact CE1-CZ2 3.62Å; F19-W84 HydrophobicContact CE1-CZ2 3.62Å; F19-W84 HydrophobicContact CZ-CZ2 4.42Å; V46-W84 HydrophobicContact CG2-CE3 4.33Å; V46-W84 HydrophobicContact CG2-CZ3 3.92Å; W68-W84 HydrophobicContact CZ3-CB 3.89Å; W68-W84 AromaticContact CZ3-CE3 3.91Å; W68-W84 HydrophobicContact CZ3-CE3 3.91Å; I80-W84 WeakPolarHBondContact O-CB 3.25Å; I80-W84 PolarHBondContact O-N 3.31Å; V81-W84 PolarHBondContact O-N 3.01Å; W84-N86 VanDerWaalsContact C-N 3.29Å; W84-N86 PolarHBondContact O-N 2.89Å; W84-L87 HydrophobicContact CE3-CD2 4.11Å; W84-L87 HydrophobicContact CZ3-CD2 4.24Å; W84-L87 WeakPolarHBondContact O-CB 3.42Å; W84-L87 PolarHBondContact O-N 2.85Å; W84-L88 HydrophobicContact CD2-CD1 4.19Å; W84-L88 HydrophobicContact CD2-CD2 4.08Å; W84-L88 HydrophobicContact CD2-CG 4.01Å; W84-L88 HydrophobicContact CE3-CD2 3.82Å; W84-L88 HydrophobicContact CE3-CG 4.21Å; W84-L88 HydrophobicContact CH2-CD1 4.42Å; W84-L88 HydrophobicContact CH2-CD2 3.62Å; W84-L88 HydrophobicContact CH2-CG 4.4Å; W84-L88 HydrophobicContact CZ2-CD1 3.73Å; W84-L88 HydrophobicContact CZ2-CD2 3.81Å; W84-L88 HydrophobicContact CZ2-CG 4.12Å; W84-L88 HydrophobicContact CZ3-CD2 3.61Å; W84-L88 HydrophobicContact CZ3-CG 4.43Å; W84-L88 VanDerWaalsContact O-CG 3.3Å; W84-L88 WeakPolarHBondContact O-CG 3.4Å; W84-L88 PolarHBondContact O-N 3.31Å; W84-I100 HydrophobicContact CH2-CG2 4.02Å; W84-I100 HydrophobicContact CZ3-CG2 3.79Å; W84-V102 HydrophobicContact CH2-CG2 3.53Å; W84-V102 HydrophobicContact CZ2-CG2 4.39Å; W84-V102 HydrophobicContact CZ3-CG2 3.99Å; W84-L114 HydrophobicContact CD2-CB 4.26Å; W84-L114 HydrophobicContact CD2-CD1 4.35Å; W84-L114 HydrophobicContact CG-CB 4.5Å; W84-L114 HydrophobicContact CG-CD2 4.4Å; W84-L114 HydrophobicContact CZ2-CB 4.08Å; W84-L114 PolarHBondContact NE1-O 3Å; W84-A118 HydrophobicContact CZ2-CB 4.43Å
85L95.8Very high94.5Very high1 Ų156.2 Ų56.21%0.00528%0.28CS..Hα-helixtrans-64.3-35.6-178.5-63.4179.3000112.3V81 D82 K89 E121 L158V81-L85 HydrophobicContact CG1-CD1 4.07Å; V81-L85 HydrophobicContact CG1-CG 4.42Å; V81-L85 VanDerWaalsContact O-CG 3.25Å; V81-L85 WeakPolarHBondContact O-CG 3.41Å; V81-L85 PolarHBondContact O-N 3.34Å; D82-L85 PolarHBondContact O-N 3.44Å; L85-K89 WeakPolarHBondContact O-CB 3.45Å; L85-K89 PolarHBondContact O-N 2.95Å; L85-E121 HydrophobicContact CD1-CG 3.77Å; L85-E121 HydrophobicContact CD2-CB 4.14Å; L85-E121 HydrophobicContact CD2-CG 3.66Å; L85-E121 HydrophobicContact CG-CG 4.37Å; L85-L158 HydrophobicContact CD2-CD1 3.72Å; L85-L158 HydrophobicContact CD2-CG 4.29Å
86N95.8Very high94.6Very high77 Ų7758.3 Ų58.341%0.41229%0.293SS..Hα-helixtrans-66.6-44.8174.5-72.1-25.6000111.5D82 D83 W84 L88 K89 V90D82-N86 WeakPolarHBondContact O-CB 3.45Å; D82-N86 PolarHBondContact O-N 3.49Å; D82-N86 PolarHBondContact O-ND2 2.99Å; D83-N86 PolarHBondContact O-N 3.31Å; W84-N86 VanDerWaalsContact C-N 3.29Å; W84-N86 PolarHBondContact O-N 2.89Å; N86-L88 VanDerWaalsContact C-N 3.34Å; N86-L88 PolarHBondContact O-N 3.49Å; N86-K89 PolarHBondContact O-N 3.39Å; N86-V90 WeakPolarHBondContact O-CG2 3.45Å; N86-V90 PolarHBondContact O-N 3.45Å
87L96.4Very high94.4Very high23 Ų2360 Ų6012%0.1231%0.311CS..Hα-helixtrans-54.8-50.5174.417672.1000110.7T44 V46 L66 W68 D83 W84 K89 V90 K91T44-L87 HydrophobicContact CG2-CD1 4.41Å; T44-L87 HydrophobicContact CG2-CD2 4.22Å; V46-L87 HydrophobicContact CG2-CD2 3.86Å; L66-L87 HydrophobicContact CD1-CD1 3.87Å; L66-L87 HydrophobicContact CD1-CD2 3.7Å; L66-L87 HydrophobicContact CD1-CG 4.39Å; W68-L87 HydrophobicContact CH2-CB 3.99Å; W68-L87 HydrophobicContact CH2-CD2 3.71Å; W68-L87 HydrophobicContact CH2-CG 4.42Å; W68-L87 HydrophobicContact CZ3-CD2 4.16Å; D83-L87 WeakPolarHBondContact O-CB 3.4Å; D83-L87 PolarHBondContact O-N 3.1Å; W84-L87 HydrophobicContact CE3-CD2 4.11Å; W84-L87 HydrophobicContact CZ3-CD2 4.24Å; W84-L87 WeakPolarHBondContact O-CB 3.42Å; W84-L87 PolarHBondContact O-N 2.85Å; L87-K89 VanDerWaalsContact C-N 3.34Å; L87-K89 PolarHBondContact O-N 3.36Å; L87-V90 PolarHBondContact O-N 2.95Å; L87-K91 HydrophobicContact CD1-CG 3.68Å; L87-K91 HydrophobicContact CG-CG 4.25Å; L87-K91 WeakPolarHBondContact O-CB 3.47Å; L87-K91 PolarHBondContact O-N 3.27Å
88L95.6Very high94.4Very high0 Ų057.5 Ų57.50%029%0.294CS..Hα-helixtrans-60.7-43.9-179-62.6-162.4000112.3M17 F19 W84 N86 V90 F92 I100 A118 L158M17-L88 HydrophobicContact SD-CD1 4.3Å; F19-L88 HydrophobicContact CE1-CD1 3.79Å; F19-L88 HydrophobicContact CE1-CD2 3.7Å; F19-L88 HydrophobicContact CE1-CG 4.39Å; F19-L88 HydrophobicContact CZ-CD1 3.72Å; F19-L88 HydrophobicContact CZ-CD2 4.37Å; W84-L88 HydrophobicContact CD2-CD1 4.19Å; W84-L88 HydrophobicContact CD2-CD2 4.08Å; W84-L88 HydrophobicContact CD2-CG 4.01Å; W84-L88 HydrophobicContact CE3-CD2 3.82Å; W84-L88 HydrophobicContact CE3-CG 4.21Å; W84-L88 HydrophobicContact CH2-CD1 4.42Å; W84-L88 HydrophobicContact CH2-CD2 3.62Å; W84-L88 HydrophobicContact CH2-CG 4.4Å; W84-L88 HydrophobicContact CZ2-CD1 3.73Å; W84-L88 HydrophobicContact CZ2-CD2 3.81Å; W84-L88 HydrophobicContact CZ2-CG 4.12Å; W84-L88 HydrophobicContact CZ3-CD2 3.61Å; W84-L88 HydrophobicContact CZ3-CG 4.43Å; W84-L88 VanDerWaalsContact O-CG 3.3Å; W84-L88 WeakPolarHBondContact O-CG 3.4Å; W84-L88 PolarHBondContact O-N 3.31Å; N86-L88 VanDerWaalsContact C-N 3.34Å; N86-L88 PolarHBondContact O-N 3.49Å; L88-V90 VanDerWaalsContact C-N 3.3Å; L88-V90 PolarHBondContact O-N 2.94Å; L88-F92 HydrophobicContact CB-CD2 4.09Å; L88-F92 HydrophobicContact CB-CE2 4.22Å; L88-F92 HydrophobicContact CD2-CD2 4.38Å; L88-F92 HydrophobicContact CD2-CE2 3.76Å; L88-F92 HydrophobicContact CG-CE2 4.36Å; L88-F92 WeakPolarHBondContact O-CB 3.29Å; L88-F92 VanDerWaalsContact O-CD2 3.29Å; L88-F92 WeakPolarHBondContact O-CD2 3.47Å; L88-F92 PolarHBondContact O-N 2.93Å; L88-F92 VanDerWaalsContact O-N 3.11Å; L88-I100 HydrophobicContact CD2-CD1 3.46Å; L88-I100 VanDerWaalsContact CD2-CD1 3.46Å; L88-A118 HydrophobicContact CD1-CB 3.35Å; L88-L158 HydrophobicContact CB-CD1 4.2Å; L88-L158 HydrophobicContact CB-CD2 4.12Å; L88-L158 HydrophobicContact CD1-CD1 3.86Å
89K93.3Very high94.6Very high107 Ų10751.7 Ų51.747%0.46526%0.263SS..Hα-helixtrans-62.2-38.7179.9-175.1178.9177.2-1770112.2L85 N86 L87 R93 L158L85-K89 WeakPolarHBondContact O-CB 3.45Å; L85-K89 PolarHBondContact O-N 2.95Å; N86-K89 PolarHBondContact O-N 3.39Å; L87-K89 VanDerWaalsContact C-N 3.34Å; L87-K89 PolarHBondContact O-N 3.36Å; K89-R93 VanDerWaalsContact O-CB 3.23Å; K89-R93 WeakPolarHBondContact O-CB 3.29Å; K89-L158 HydrophobicContact CB-CD2 3.9Å
90V93.9Very high94.7Very high68 Ų6846.2 Ų46.241%0.41224%0.237SC..Hα-helixtrans-75.9-57.5179173.90000110.1N86 L87 L88 F92 R93 E94N86-V90 WeakPolarHBondContact O-CG2 3.45Å; N86-V90 PolarHBondContact O-N 3.45Å; L87-V90 PolarHBondContact O-N 2.95Å; L88-V90 VanDerWaalsContact C-N 3.3Å; L88-V90 PolarHBondContact O-N 2.94Å; V90-F92 PolarHBondContact O-N 3.49Å; V90-R93 WeakPolarHBondContact O-CB 3.45Å; V90-R93 PolarHBondContact O-N 3.49Å; V90-E94 HydrophobicContact CG1-CG 4.28Å; V90-E94 WeakPolarHBondContact CG1-OE2 3.3Å; V90-E94 WeakPolarHBondContact O-CG 3.5Å; V90-E94 PolarHBondContact O-N 3.1Å
91K94.8Very high94.7Very high30 Ų3045.4 Ų45.413%0.1323%0.233CC..Hα-helixtrans-61.6-46.8-172.7-76.6-61.3-165.9-179.10113.7T44 L87 R93 E94 E95 I100T44-K91 WeakPolarHBondContact OG1-CE 3.21Å; L87-K91 HydrophobicContact CD1-CG 3.68Å; L87-K91 HydrophobicContact CG-CG 4.25Å; L87-K91 WeakPolarHBondContact O-CB 3.47Å; L87-K91 PolarHBondContact O-N 3.27Å; K91-R93 PolarHBondContact O-N 2.83Å; K91-E94 PolarHBondContact O-N 2.87Å; K91-E95 IonicContact NZ-OE1 2.8Å; K91-E95 PolarHBondContact NZ-OE1 3.39Å; K91-E95 PolarHBondContact O-N 3.35Å; K91-I100 HydrophobicContact CB-CD1 3.9Å; K91-I100 HydrophobicContact CG-CD1 4.38Å
92F93.6Very high94.7Very high4 Ų445.3 Ų45.32%0.01823%0.233CC..Hα-helixtrans-74.1-10.5179.1-65.3-55.7000113.9M17 R18 F19 L88 V90 C98 I100M17-F92 HydrophobicContact CB-CD2 3.87Å; M17-F92 HydrophobicContact CB-CE1 4.27Å; M17-F92 HydrophobicContact CB-CE2 3.5Å; M17-F92 VanDerWaalsContact CB-CE2 3.5Å; M17-F92 HydrophobicContact CB-CG 4.36Å; M17-F92 HydrophobicContact CB-CZ 3.75Å; M17-F92 HydrophobicContact CG-CD2 3.4Å; M17-F92 HydrophobicContact CG-CE2 3.53Å; M17-F92 HydrophobicContact CG-CG 3.96Å; M17-F92 HydrophobicContact CG-CZ 4.24Å; M17-F92 HydrophobicContact SD-CD2 3.77Å; M17-F92 HydrophobicContact SD-CE2 3.81Å; R18-F92 WeakPolarHBondContact O-CZ 3.48Å; F19-F92 HydrophobicContact CD1-CZ 4.31Å; F19-F92 AromaticContact CE1-CE2 3.73Å; F19-F92 HydrophobicContact CE1-CE2 3.73Å; F19-F92 AromaticContact CE1-CZ 3.82Å; F19-F92 HydrophobicContact CE1-CZ 3.82Å; F19-F92 AromaticContact CZ-CE2 3.75Å; F19-F92 HydrophobicContact CZ-CE2 3.75Å; F19-F92 HydrophobicContact CZ-CZ 4.07Å; L88-F92 HydrophobicContact CB-CD2 4.09Å; L88-F92 HydrophobicContact CB-CE2 4.22Å; L88-F92 HydrophobicContact CD2-CD2 4.38Å; L88-F92 HydrophobicContact CD2-CE2 3.76Å; L88-F92 HydrophobicContact CG-CE2 4.36Å; L88-F92 WeakPolarHBondContact O-CB 3.29Å; L88-F92 VanDerWaalsContact O-CD2 3.29Å; L88-F92 WeakPolarHBondContact O-CD2 3.47Å; L88-F92 PolarHBondContact O-N 2.93Å; L88-F92 VanDerWaalsContact O-N 3.11Å; V90-F92 PolarHBondContact O-N 3.49Å; F92-C98 WeakPolarHBondContact CE1-O 3.48Å; F92-I100 HydrophobicContact CD2-CD1 4.49Å; F92-I100 HydrophobicContact CE1-CD1 4.25Å; F92-I100 HydrophobicContact CE1-CG1 4.3Å; F92-I100 HydrophobicContact CE2-CD1 3.92Å; F92-I100 HydrophobicContact CZ-CB 4.4Å; F92-I100 HydrophobicContact CZ-CD1 3.76Å; F92-I100 HydrophobicContact CZ-CG1 4.02Å
93R91.1Very high94.5Very high199 Ų19943.7 Ų43.775%0.75122%0.224SC*.Hα-helixtrans-89.5-44.1172-177.5-178179.5-169.1-1.2111.7K89 V90 K91K89-R93 VanDerWaalsContact O-CB 3.23Å; K89-R93 WeakPolarHBondContact O-CB 3.29Å; V90-R93 WeakPolarHBondContact O-CB 3.45Å; V90-R93 PolarHBondContact O-N 3.49Å; K91-R93 PolarHBondContact O-N 2.83Å
94E92.5Very high94Very high134 Ų13441.4 Ų41.463%0.62621%0.212SC*.Hα-helixtrans-76.6-36.3-178.2-69.8-179.6169.700112.4V90 K91 P96V90-E94 HydrophobicContact CG1-CG 4.28Å; V90-E94 WeakPolarHBondContact CG1-OE2 3.3Å; V90-E94 WeakPolarHBondContact O-CG 3.5Å; V90-E94 PolarHBondContact O-N 3.1Å; K91-E94 PolarHBondContact O-N 2.87Å; E94-P96 WeakPolarHBondContact O-CD 3.49Å
95E92.2Very high93.1Very high62 Ų6245.6 Ų45.629%0.2924%0.238SC..SBendtrans-123.275.6-177.8-59.8169.6-138.900110.2T43 K91 G97 C98T43-E95 WeakPolarHBondContact CB-OE2 3.39Å; T43-E95 VanDerWaalsContact CG2-OE2 3.23Å; T43-E95 WeakPolarHBondContact CG2-OE2 3.45Å; T43-E95 PolarHBondContact OG1-OE2 2.85Å; K91-E95 IonicContact NZ-OE1 2.8Å; K91-E95 PolarHBondContact NZ-OE1 3.39Å; K91-E95 PolarHBondContact O-N 3.35Å; E95-G97 PolarHBondContact O-N 2.81Å; E95-C98 HydrophobicContact CB-CB 3.81Å; E95-C98 WeakPolarHBondContact O-CB 3.37Å; E95-C98 PolarHBondContact O-N 3.05Å; E95-C98 VanDerWaalsContact O-N 3.1Å; E95-C98 PolarHBondContact O-SG 3.21Å
96P90.9Very high91.8Very high110 Ų11047.9 Ų47.971%0.71426%0.257SS*.THydrogen-bonded Turntrans-56.1128.3178.6-25.634.9000112.2E94 C98E94-P96 WeakPolarHBondContact O-CD 3.49Å; P96-C98 VanDerWaalsContact C-N 3.32Å
97G89.6Confident90.2Very high40 Ų4044.2 Ų44.241%0.41224%0.237SC..THydrogen-bonded Turntrans84.1-0.8179.800000115.2R18 E95R18-G97 PolarHBondContact NH1-O 2.78Å; E95-G97 PolarHBondContact O-N 2.81Å
98C94.4Very high88.7Confident9 Ų946.3 Ų46.36%0.06125%0.248CC..  trans-59.8162.8169.772.10000111.6T43 F92 E95 P96T43-C98 HydrophobicContact CG2-CB 4.1Å; F92-C98 WeakPolarHBondContact CE1-O 3.48Å; E95-C98 HydrophobicContact CB-CB 3.81Å; E95-C98 WeakPolarHBondContact O-CB 3.37Å; E95-C98 PolarHBondContact O-N 3.05Å; E95-C98 VanDerWaalsContact O-N 3.1Å; E95-C98 PolarHBondContact O-SG 3.21Å; P96-C98 VanDerWaalsContact C-N 3.32Å
99C97.4Very high87.9Confident0 Ų047.1 Ų47.10%026%0.256CS..EExtended strand (participates in β ladder)trans-118.8140.5174.7-170.50000110.3R18 Y40 G41 V42 T43R18-C99 HydrophobicContact CB-CB 4.25Å; R18-C99 WeakPolarHBondContact O-CA 3.22Å; Y40-C99 WeakPolarHBondContact O-CB 3.41Å; G41-C99 PolarHBondContact O-N 3.09Å; V42-C99 VanDerWaalsContact CA-O 3.23Å; V42-C99 WeakPolarHBondContact CA-O 3.47Å; V42-C99 HydrophobicContact CG2-CB 3.94Å; T43-C99 PolarHBondContact N-O 2.84Å
100I97.9Very high87.7Confident0 Ų043.4 Ų43.40%024%0.239CC..EExtended strand (participates in β ladder)trans-110.8118.1173.7-63.3174.3000108.5R18 F19 L20 T44 V46 W84 L88 K91 F92R18-I100 PolarHBondContact O-N 3.4Å; F19-I100 CarbonylContact C-O 3.49Å; F19-I100 VanDerWaalsContact CA-O 3.24Å; F19-I100 WeakPolarHBondContact CA-O 3.23Å; F19-I100 HydrophobicContact CD1-CB 4.37Å; L20-I100 PolarHBondContact N-O 3.06Å; T44-I100 CarbonylContact O-C 3.5Å; T44-I100 WeakPolarHBondContact O-CA 3.26Å; V46-I100 HydrophobicContact CG2-CG2 4.28Å; W84-I100 HydrophobicContact CH2-CG2 4.02Å; W84-I100 HydrophobicContact CZ3-CG2 3.79Å; L88-I100 HydrophobicContact CD2-CD1 3.46Å; L88-I100 VanDerWaalsContact CD2-CD1 3.46Å; K91-I100 HydrophobicContact CB-CD1 3.9Å; K91-I100 HydrophobicContact CG-CD1 4.38Å; F92-I100 HydrophobicContact CD2-CD1 4.49Å; F92-I100 HydrophobicContact CE1-CD1 4.25Å; F92-I100 HydrophobicContact CE1-CG1 4.3Å; F92-I100 HydrophobicContact CE2-CD1 3.92Å; F92-I100 HydrophobicContact CZ-CB 4.4Å; F92-I100 HydrophobicContact CZ-CD1 3.76Å; F92-I100 HydrophobicContact CZ-CG1 4.02Å
101A97.3Very high87.7Confident0 Ų040.1 Ų40.10%022%0.219CC..EExtended strand (participates in β ladder)trans-84.6142.4175.500000111L20 L37 V42 T44 V45 V46L20-A101 HydrophobicContact CB-CB 4.18Å; L20-A101 CarbonylContact O-C 3.57Å; L20-A101 WeakPolarHBondContact O-CA 3.43Å; L37-A101 HydrophobicContact CD2-CB 3.84Å; V42-A101 HydrophobicContact CG1-CB 3.69Å; V42-A101 HydrophobicContact CG2-CB 4.11Å; T44-A101 PolarHBondContact O-N 3.29Å; V45-A101 CarbonylContact C-O 3.35Å; V45-A101 WeakPolarHBondContact CA-O 3.46Å; V45-A101 HydrophobicContact CG2-CB 4.09Å; V46-A101 PolarHBondContact N-O 3.11Å
102V96Very high87.7Confident0 Ų038.7 Ų38.70%021%0.213CC..EExtended strand (participates in β ladder)trans-132128.3173.9-168.60000108.4L20 I21 T22 V46 V48 W84 A111 L114 V115L20-V102 PolarHBondContact O-N 2.99Å; I21-V102 WeakPolarHBondContact CA-O 3.45Å; T22-V102 PolarHBondContact N-O 3.48Å; V46-V102 HydrophobicContact CB-CG1 4.42Å; V46-V102 HydrophobicContact CB-CG2 4.44Å; V46-V102 WeakPolarHBondContact O-CA 3.41Å; V48-V102 HydrophobicContact CG1-CG1 4.04Å; V48-V102 HydrophobicContact CG2-CG1 4.5Å; W84-V102 HydrophobicContact CH2-CG2 3.53Å; W84-V102 HydrophobicContact CZ2-CG2 4.39Å; W84-V102 HydrophobicContact CZ3-CG2 3.99Å; V102-A111 HydrophobicContact CB-CB 4.15Å; V102-A111 HydrophobicContact CG1-CB 3.64Å; V102-L114 HydrophobicContact CG1-CD1 4.32Å; V102-V115 HydrophobicContact CG2-CG2 4.44Å
103H92.1Very high87.7Confident0 Ų038.6 Ų38.60%021%0.213CC..EExtended strand (participates in β ladder)trans-137.5152.8175.680.583.2000113T22 N24 V46 R47 V48 Y53T22-H103 WeakPolarHBondContact OG1-CB 3.24Å; N24-H103 PolarHBondContact OD1-CE1 2.57Å; N24-H103 VanDerWaalsContact OD1-CE1 3.29Å; V46-H103 PolarHBondContact O-N 2.99Å; R47-H103 VanDerWaalsContact CG-NE2 3.34Å; R47-H103 WeakPolarHBondContact CG-NE2 3.37Å; V48-H103 VanDerWaalsContact CG2-O 3.27Å; V48-H103 WeakPolarHBondContact CG2-O 3.48Å; V48-H103 PolarHBondContact N-O 2.84Å; Y53-H103 AromaticContact CE1-CE1 3.69Å; Y53-H103 AromaticContact CE1-NE2 3.62Å; Y53-H103 AromaticContact CZ-NE2 3.84Å; Y53-H103 PolarHBondContact OH-NE2 2.97Å; Y53-H103 VanDerWaalsContact OH-NE2 3.16Å
104C85.7Confident88Confident6 Ų629.1 Ų29.14%0.04118%0.177CC..  trans-116.8-138170.1-175.50000106.2N24 V48 C49 R110 A111N24-C104 WeakPolarHBondContact CB-O 3.43Å; V48-C104 HydrophobicContact CG2-CB 3.85Å; C49-C104 PolarHBondContact SG-O 3.43Å; C104-R110 HydrophobicContact CB-CB 4.22Å; C104-R110 PolarHBondContact SG-NE 2.82Å; C104-A111 HydrophobicContact CB-CB 4.45Å
105V78.3Confident88.2Confident88 Ų8822.7 Ų22.753%0.53315%0.147SC..SBendtrans-82.2-65.5172.7-176.30000110.7N24 C49N24-V105 WeakPolarHBondContact CB-O 3.32Å; N24-V105 PolarHBondContact N-O 3.15Å; C49-V105 HydrophobicContact CB-CG2 4.12Å
106A69.9Low88.4Confident49 Ų4919.8 Ų19.841%0.40513%0.133SC..SBendtrans-95.7-8.5179.300000113.7L108 R137A106-L108 VanDerWaalsContact C-N 3.35Å; A106-L108 HydrophobicContact CB-CD1 4.16Å; A106-L108 HydrophobicContact CB-CG 4.33Å; A106-L108 PolarHBondContact O-N 3.25Å; A106-R137 PolarHBondContact O-NH2 3.49Å
107G61.2Low88.7Confident0 Ų014.5 Ų14.50%010%0.099CC..SBendtrans70.523.2-176.600000114.9I21I21-G107 WeakPolarHBondContact CG2-O 3.33Å
108L65.9Low89Confident67 Ų6712.6 Ų12.635%0.3518%0.08SC..SBendtrans-106.6-29.3-175.3-67.9171000114.7A106 R137 A140 F141A106-L108 VanDerWaalsContact C-N 3.35Å; A106-L108 HydrophobicContact CB-CD1 4.16Å; A106-L108 HydrophobicContact CB-CG 4.33Å; A106-L108 PolarHBondContact O-N 3.25Å; L108-R137 HydrophobicContact CD2-CG 4.09Å; L108-R137 VanDerWaalsContact CD2-NE 3.31Å; L108-A140 WeakPolarHBondContact O-CA 3.31Å; L108-F141 PolarHBondContact O-N 3.15Å
109G78.3Confident89Confident16 Ų1612.2 Ų12.217%0.1658%0.077CC..SBendtrans-107-81.2-174.200000113.1P112 Q145G109-P112 WeakPolarHBondContact O-CD 3.34Å; G109-Q145 PolarHBondContact O-NE2 2.59Å
110R89.1Confident89Confident29 Ų2912.6 Ų12.611%0.1098%0.079CC..Hα-helixtrans-65.1-45.5-168.1-66.8-178.9-101.2169.61114.2V48 F70 D72 C104 V113V48-R110 HydrophobicContact CB-CB 4.46Å; V48-R110 HydrophobicContact CG2-CB 3.66Å; V48-R110 PolarHBondContact O-NH1 3.02Å; F70-R110 HydrophobicContact CD2-CG 4.09Å; F70-R110 HydrophobicContact CE1-CB 4.31Å; F70-R110 HydrophobicContact CE2-CB 3.66Å; F70-R110 HydrophobicContact CE2-CG 3.51Å; F70-R110 HydrophobicContact CZ-CB 3.52Å; F70-R110 HydrophobicContact CZ-CG 3.94Å; F70-R110 WeakPolarHBondContact O-CD 3.33Å; F70-R110 PolarHBondContact O-NH1 3.04Å; D72-R110 IonicContact OD1-NE 3.37Å; D72-R110 PolarHBondContact OD1-NE 3.45Å; C104-R110 HydrophobicContact CB-CB 4.22Å; C104-R110 PolarHBondContact SG-NE 2.82Å; R110-V113 WeakPolarHBondContact O-CB 3.35Å; R110-V113 PolarHBondContact O-N 2.96Å; R110-V113 VanDerWaalsContact O-N 3.09Å
111A92.9Very high88.8Confident0 Ų012.6 Ų12.60%08%0.079CC..Hα-helixtrans-60.5-47-177.900000113.4I21 V48 V102 C104 V113 L114 V115I21-A111 HydrophobicContact CG2-CB 4.25Å; V48-A111 HydrophobicContact CG2-CB 4.22Å; V102-A111 HydrophobicContact CB-CB 4.15Å; V102-A111 HydrophobicContact CG1-CB 3.64Å; C104-A111 HydrophobicContact CB-CB 4.45Å; A111-V113 PolarHBondContact O-N 2.83Å; A111-V113 VanDerWaalsContact O-N 3.15Å; A111-L114 PolarHBondContact O-N 2.74Å; A111-V115 PolarHBondContact O-N 3.08Å
112P94.4Very high88.6Confident0 Ų012.8 Ų12.80%08%0.08CC..Hα-helixtrans-51.5-32170.9-3336.3000115.8I21 G109 V115 A116 I133 A140 F141I21-P112 HydrophobicContact CD1-CG 4.14Å; G109-P112 WeakPolarHBondContact O-CD 3.34Å; P112-V115 PolarHBondContact O-N 2.95Å; P112-A116 WeakPolarHBondContact O-CB 3.38Å; P112-A116 PolarHBondContact O-N 3.41Å; P112-I133 HydrophobicContact CB-CG2 4.14Å; P112-A140 HydrophobicContact CB-CB 4.25Å; P112-A140 HydrophobicContact CG-CB 4.21Å; P112-F141 VanDerWaalsContact C-CE1 3.47Å; P112-F141 HydrophobicContact CB-CD1 4.18Å; P112-F141 HydrophobicContact CB-CE1 3.53Å; P112-F141 HydrophobicContact CB-CE2 4.37Å; P112-F141 HydrophobicContact CB-CZ 3.63Å; P112-F141 WeakPolarHBondContact O-CE1 3.14Å
113V95.3Very high88.4Confident1 Ų114.8 Ų14.81%0.00610%0.101CC..Hα-helixtrans-64.7-44.2-179178.20000111.3P76 R110 A111 V115 A116 L117 F141 Q145 Y148 L149P76-V113 HydrophobicContact CG-CG1 4.32Å; R110-V113 WeakPolarHBondContact O-CB 3.35Å; R110-V113 PolarHBondContact O-N 2.96Å; R110-V113 VanDerWaalsContact O-N 3.09Å; A111-V113 PolarHBondContact O-N 2.83Å; A111-V113 VanDerWaalsContact O-N 3.15Å; V113-V115 VanDerWaalsContact C-N 3.35Å; V113-V115 PolarHBondContact O-N 3.48Å; V113-A116 PolarHBondContact O-N 2.92Å; V113-L117 HydrophobicContact CG1-CD1 4.45Å; V113-L117 WeakPolarHBondContact O-CG 3.27Å; V113-L117 PolarHBondContact O-N 3.15Å; V113-F141 HydrophobicContact CG2-CD1 4.01Å; V113-F141 HydrophobicContact CG2-CE1 4.11Å; V113-Q145 HydrophobicContact CG2-CB 3.95Å; V113-Q145 HydrophobicContact CG2-CG 3.8Å; V113-Y148 HydrophobicContact CG1-CD1 4.12Å; V113-Y148 HydrophobicContact CG1-CE1 4.02Å; V113-L149 HydrophobicContact CG1-CD2 4.41Å
114L96.2Very high88.5Confident0 Ų016.2 Ų16.20%011%0.108CC..Hα-helixtrans-64.4-41.2177.3-67.1-169000111.7V46 V48 P76 I80 W84 V102 A111 A116 L117 A118V46-L114 HydrophobicContact CG1-CD1 4.33Å; V48-L114 HydrophobicContact CG1-CD1 3.49Å; V48-L114 VanDerWaalsContact CG1-CD1 3.49Å; V48-L114 HydrophobicContact CG1-CG 4.35Å; P76-L114 HydrophobicContact CB-CD2 4.27Å; P76-L114 HydrophobicContact CG-CD2 4.2Å; I80-L114 HydrophobicContact CG2-CD2 4.26Å; W84-L114 HydrophobicContact CD2-CB 4.26Å; W84-L114 HydrophobicContact CD2-CD1 4.35Å; W84-L114 HydrophobicContact CG-CB 4.5Å; W84-L114 HydrophobicContact CG-CD2 4.4Å; W84-L114 HydrophobicContact CZ2-CB 4.08Å; W84-L114 PolarHBondContact NE1-O 3Å; V102-L114 HydrophobicContact CG1-CD1 4.32Å; A111-L114 PolarHBondContact O-N 2.74Å; L114-A116 PolarHBondContact O-N 3.16Å; L114-L117 HydrophobicContact CD2-CD1 4.24Å; L114-L117 PolarHBondContact O-N 3.38Å; L114-A118 PolarHBondContact O-N 2.64Å; L114-A118 VanDerWaalsContact O-N 3.11Å
115V96.6Very high89Confident0 Ų022.7 Ų22.70%014%0.135CC..Hα-helixtrans-63.9-42.2176.5-1770000110.8I12 F19 I21 V102 A111 P112 V113 L117 A118 L119 I133I12-V115 HydrophobicContact CB-CG1 4.34Å; I12-V115 HydrophobicContact CD1-CG1 4.16Å; I12-V115 HydrophobicContact CG2-CG1 4.11Å; F19-V115 HydrophobicContact CB-CG1 4.25Å; F19-V115 HydrophobicContact CB-CG2 4.13Å; F19-V115 HydrophobicContact CD2-CG1 3.84Å; F19-V115 HydrophobicContact CE2-CG1 4.43Å; F19-V115 HydrophobicContact CG-CG1 4.08Å; F19-V115 HydrophobicContact CG-CG2 4.25Å; I21-V115 HydrophobicContact CD1-CG2 4.1Å; I21-V115 HydrophobicContact CG1-CG2 4.12Å; V102-V115 HydrophobicContact CG2-CG2 4.44Å; A111-V115 PolarHBondContact O-N 3.08Å; P112-V115 PolarHBondContact O-N 2.95Å; V113-V115 VanDerWaalsContact C-N 3.35Å; V113-V115 PolarHBondContact O-N 3.48Å; V115-L117 PolarHBondContact O-N 2.73Å; V115-A118 WeakPolarHBondContact O-CB 3.34Å; V115-A118 PolarHBondContact O-N 2.91Å; V115-L119 WeakPolarHBondContact O-CG 3.38Å; V115-L119 PolarHBondContact O-N 2.95Å; V115-L119 VanDerWaalsContact O-N 3.12Å; V115-I133 HydrophobicContact CB-CD1 4.31Å; V115-I133 HydrophobicContact CG1-CD1 4.21Å
116A96.7Very high89.9Confident0 Ų021.5 Ų21.50%012%0.122CC..Hα-helixtrans-59.9-43.8175.700000112.2P112 V113 L114 A118 L119 I120 I133 F141 L149P112-A116 WeakPolarHBondContact O-CB 3.38Å; P112-A116 PolarHBondContact O-N 3.41Å; V113-A116 PolarHBondContact O-N 2.92Å; L114-A116 PolarHBondContact O-N 3.16Å; A116-A118 VanDerWaalsContact C-N 3.28Å; A116-A118 PolarHBondContact O-N 3.14Å; A116-L119 PolarHBondContact O-N 3.35Å; A116-I120 VanDerWaalsContact O-CG1 3.25Å; A116-I120 WeakPolarHBondContact O-CG1 3.38Å; A116-I120 PolarHBondContact O-N 2.82Å; A116-I133 HydrophobicContact CB-CD1 3.72Å; A116-F141 HydrophobicContact CB-CE1 4.1Å; A116-F141 HydrophobicContact CB-CZ 3.95Å; A116-L149 HydrophobicContact CB-CD1 3.84Å; A116-L149 HydrophobicContact CB-CD2 3.88Å
117L96.5Very high91.2Very high0 Ų023.4 Ų23.40%012%0.122CC..Hα-helixtrans-58.4-40.9175.8-70.7171.9000111.8P76 V81 V113 L114 V115 L119 I120 E121 Y148 L149 Y152P76-L117 HydrophobicContact CG-CD1 4.07Å; V81-L117 HydrophobicContact CG1-CD1 4.37Å; V81-L117 HydrophobicContact CG2-CD1 3.85Å; V113-L117 HydrophobicContact CG1-CD1 4.45Å; V113-L117 WeakPolarHBondContact O-CG 3.27Å; V113-L117 PolarHBondContact O-N 3.15Å; L114-L117 HydrophobicContact CD2-CD1 4.24Å; L114-L117 PolarHBondContact O-N 3.38Å; V115-L117 PolarHBondContact O-N 2.73Å; L117-L119 PolarHBondContact O-N 3.1Å; L117-I120 PolarHBondContact O-N 2.92Å; L117-E121 WeakPolarHBondContact O-CB 3.41Å; L117-E121 VanDerWaalsContact O-CG 3.26Å; L117-E121 WeakPolarHBondContact O-CG 3.41Å; L117-E121 PolarHBondContact O-N 2.76Å; L117-Y148 HydrophobicContact CD1-CE1 4.24Å; L117-Y148 HydrophobicContact CD2-CE1 4.03Å; L117-Y148 HydrophobicContact CG-CE1 4.47Å; L117-L149 HydrophobicContact CD2-CD2 4.11Å; L117-L149 HydrophobicContact CG-CD2 4.3Å; L117-Y152 HydrophobicContact CD2-CD1 3.67Å; L117-Y152 HydrophobicContact CD2-CD2 3.56Å; L117-Y152 HydrophobicContact CD2-CE1 3.72Å; L117-Y152 HydrophobicContact CD2-CE2 3.61Å; L117-Y152 HydrophobicContact CD2-CG 3.6Å
118A96.4Very high92.9Very high0 Ų027.5 Ų27.50%014%0.144CC..Hα-helixtrans-62-44176.700000112.2M17 F19 W84 L88 L114 V115 A116 E121 C122 L158M17-A118 HydrophobicContact CE-CB 4.31Å; F19-A118 HydrophobicContact CE1-CB 4.42Å; F19-A118 HydrophobicContact CE2-CB 4.17Å; F19-A118 HydrophobicContact CZ-CB 3.68Å; W84-A118 HydrophobicContact CZ2-CB 4.43Å; L88-A118 HydrophobicContact CD1-CB 3.35Å; L114-A118 PolarHBondContact O-N 2.64Å; L114-A118 VanDerWaalsContact O-N 3.11Å; V115-A118 WeakPolarHBondContact O-CB 3.34Å; V115-A118 PolarHBondContact O-N 2.91Å; A116-A118 VanDerWaalsContact C-N 3.28Å; A116-A118 PolarHBondContact O-N 3.14Å; A118-E121 PolarHBondContact O-N 3.3Å; A118-C122 PolarHBondContact O-N 2.79Å; A118-C122 VanDerWaalsContact O-N 3.15Å; A118-L158 HydrophobicContact CB-CD1 4.42Å
119L95.9Very high94.4Very high0 Ų024.3 Ų24.30%013%0.128CC..Hα-helixtrans-62.9-43.7177.1-61.2177.6000111.5Y14 V115 A116 L117 C122 G123 M124 A129 F132 I133Y14-L119 HydrophobicContact CD1-CD2 3.67Å; Y14-L119 HydrophobicContact CD2-CD2 4.39Å; Y14-L119 HydrophobicContact CG-CD2 3.55Å; V115-L119 WeakPolarHBondContact O-CG 3.38Å; V115-L119 PolarHBondContact O-N 2.95Å; V115-L119 VanDerWaalsContact O-N 3.12Å; A116-L119 PolarHBondContact O-N 3.35Å; L117-L119 PolarHBondContact O-N 3.1Å; L119-C122 PolarHBondContact O-N 3.39Å; L119-G123 PolarHBondContact O-N 3.16Å; L119-M124 HydrophobicContact CB-CB 4.25Å; L119-M124 HydrophobicContact CB-SD 4Å; L119-M124 HydrophobicContact CD1-SD 4.12Å; L119-M124 VanDerWaalsContact O-CB 3.24Å; L119-M124 WeakPolarHBondContact O-CB 3.47Å; L119-M124 PolarHBondContact O-N 2.85Å; L119-M124 VanDerWaalsContact O-N 3.12Å; L119-A129 HydrophobicContact CB-CB 4.05Å; L119-A129 HydrophobicContact CD1-CB 4.17Å; L119-F132 HydrophobicContact CD1-CD1 3.83Å; L119-F132 HydrophobicContact CD1-CE1 4.5Å; L119-I133 HydrophobicContact CD1-CD1 4.03Å; L119-I133 HydrophobicContact CD1-CG1 4.13Å
120I96Very high95.2Very high9 Ų924 Ų245%0.04612%0.122CC..Hα-helixtrans-64.7-42.8179.6-64.7163.6000111A116 L117 C122 G123 M124 A129 L149 Y152 P154A116-I120 VanDerWaalsContact O-CG1 3.25Å; A116-I120 WeakPolarHBondContact O-CG1 3.38Å; A116-I120 PolarHBondContact O-N 2.82Å; L117-I120 PolarHBondContact O-N 2.92Å; I120-C122 PolarHBondContact O-N 3.17Å; I120-G123 WeakPolarHBondContact O-CA 3.44Å; I120-G123 PolarHBondContact O-N 3.03Å; I120-M124 WeakPolarHBondContact CA-O 3.43Å; I120-A129 HydrophobicContact CD1-CB 4.48Å; I120-A129 HydrophobicContact CG1-CB 3.99Å; I120-L149 HydrophobicContact CD1-CD2 4.01Å; I120-Y152 HydrophobicContact CG2-CD1 4.01Å; I120-Y152 HydrophobicContact CG2-CE1 4.32Å; I120-P154 HydrophobicContact CG2-CB 4.16Å; I120-P154 HydrophobicContact CG2-CG 4.3Å
121E94.9Very high95.5Very high0 Ų027.9 Ų27.90%014%0.142CC..Hα-helixtrans-63.8-24.7175.8-75.9-71.9157.600113.5L85 L117 A118 G123 Y152 P154 K155 M156 R157 L158L85-E121 HydrophobicContact CD1-CG 3.77Å; L85-E121 HydrophobicContact CD2-CB 4.14Å; L85-E121 HydrophobicContact CD2-CG 3.66Å; L85-E121 HydrophobicContact CG-CG 4.37Å; L117-E121 WeakPolarHBondContact O-CB 3.41Å; L117-E121 VanDerWaalsContact O-CG 3.26Å; L117-E121 WeakPolarHBondContact O-CG 3.41Å; L117-E121 PolarHBondContact O-N 2.76Å; A118-E121 PolarHBondContact O-N 3.3Å; E121-G123 VanDerWaalsContact C-N 3.27Å; E121-Y152 HydrophobicContact CG-CE1 4.36Å; E121-Y152 WeakPolarHBondContact OE1-CE1 3.18Å; E121-Y152 PolarHBondContact OE1-OH 2.97Å; E121-P154 WeakPolarHBondContact OE1-CA 3.4Å; E121-K155 PolarHBondContact OE1-N 3.47Å; E121-K155 PolarHBondContact OE2-N 2.76Å; E121-M156 WeakPolarHBondContact OE2-CA 3.32Å; E121-M156 PolarHBondContact OE2-N 3.08Å; E121-R157 PolarHBondContact OE2-N 3.07Å; E121-L158 HydrophobicContact CB-CB 4.11Å; E121-L158 HydrophobicContact CB-CD1 3.95Å; E121-L158 HydrophobicContact CB-CG 4.11Å
122C91.9Very high95.7Very high3 Ų330.4 Ų30.42%0.0215%0.153CC..THydrogen-bonded Turntrans-83.10.4171.5-74.10000114.2Y14 K15 M17 A118 L119 I120 L158Y14-C122 HydrophobicContact CD1-CB 4.05Å; Y14-C122 HydrophobicContact CE1-CB 3.61Å; K15-C122 HydrophobicContact CD-CB 4.45Å; K15-C122 PolarHBondContact NZ-O 3.37Å; M17-C122 HydrophobicContact CE-CB 4.37Å; M17-C122 WeakPolarHBondContact CE-SG 3.35Å; A118-C122 PolarHBondContact O-N 2.79Å; A118-C122 VanDerWaalsContact O-N 3.15Å; L119-C122 PolarHBondContact O-N 3.39Å; I120-C122 PolarHBondContact O-N 3.17Å; C122-L158 VanDerWaalsContact SG-CB 3.53Å; C122-L158 PolarHBondContact SG-O 3.26Å
123G92.2Very high95.7Very high43 Ų4330.4 Ų30.444%0.44315%0.153SC..THydrogen-bonded Turntrans104.76.3174.400000115.5L119 I120 E121L119-G123 PolarHBondContact O-N 3.16Å; I120-G123 WeakPolarHBondContact O-CA 3.44Å; I120-G123 PolarHBondContact O-N 3.03Å; E121-G123 VanDerWaalsContact C-N 3.27Å
124M94.8Very high95.7Very high29 Ų2934.6 Ų34.614%0.14317%0.168CC..  trans-73.4142.6173.8-166.9174.8-72.800110.3Y14 L119 I120 D128 A129Y14-M124 HydrophobicContact CD2-CE 3.6Å; Y14-M124 HydrophobicContact CE1-CE 4.29Å; Y14-M124 HydrophobicContact CE2-CE 3.28Å; Y14-M124 HydrophobicContact CG-CE 4.25Å; L119-M124 HydrophobicContact CB-CB 4.25Å; L119-M124 HydrophobicContact CB-SD 4Å; L119-M124 HydrophobicContact CD1-SD 4.12Å; L119-M124 VanDerWaalsContact O-CB 3.24Å; L119-M124 WeakPolarHBondContact O-CB 3.47Å; L119-M124 PolarHBondContact O-N 2.85Å; L119-M124 VanDerWaalsContact O-N 3.12Å; I120-M124 WeakPolarHBondContact CA-O 3.43Å; M124-D128 HydrophobicContact CG-CB 3.71Å; M124-D128 HydrophobicContact SD-CB 4.18Å; M124-A129 HydrophobicContact CG-CB 4.23Å; M124-A129 WeakPolarHBondContact SD-CA 3.41Å; M124-A129 HydrophobicContact SD-CB 3.81Å; M124-A129 PolarHBondContact SD-N 3.43Å; M124-A129 VanDerWaalsContact SD-N 3.45Å
125K95.9Very high95.6Very high142 Ų14241.4 Ų41.462%0.61720%0.2SC*.  trans-69.6153.5170.4-63-175.9177.5179.20110.1E127 D128 A129K125-E127 VanDerWaalsContact C-N 3.29Å; K125-E127 WeakPolarHBondContact CB-OE2 3.47Å; K125-E127 PolarHBondContact O-N 2.97Å; K125-D128 PolarHBondContact O-N 3.25Å; K125-A129 PolarHBondContact O-N 3.32Å
126Y96.6Very high95.3Very high63 Ų6347.4 Ų47.425%0.24723%0.227CC..Hα-helixtrans-65.9-34.7-174.984.3-86000111.8A129 V130 L149 E150Y126-A129 PolarHBondContact O-N 2.9Å; Y126-V130 WeakPolarHBondContact O-CB 3.48Å; Y126-V130 VanDerWaalsContact O-CG2 3.29Å; Y126-V130 WeakPolarHBondContact O-CG2 3.24Å; Y126-V130 PolarHBondContact O-N 2.8Å; Y126-L149 HydrophobicContact CD2-CB 4.33Å; Y126-E150 HydrophobicContact CD2-CB 4.16Å; Y126-E150 HydrophobicContact CE1-CB 4.23Å; Y126-E150 HydrophobicContact CE1-CG 4.1Å; Y126-E150 HydrophobicContact CE2-CB 3.66Å; Y126-E150 HydrophobicContact CE2-CG 4.19Å
127E96.8Very high94.9Very high89 Ų8948 Ų4842%0.41623%0.229SC..Hα-helixtrans-61.9-46.1176.8-54.390.8149.600110.6K125 V130 Q131K125-E127 VanDerWaalsContact C-N 3.29Å; K125-E127 WeakPolarHBondContact CB-OE2 3.47Å; K125-E127 PolarHBondContact O-N 2.97Å; E127-V130 PolarHBondContact O-N 3.23Å; E127-Q131 WeakPolarHBondContact O-CB 3.37Å; E127-Q131 VanDerWaalsContact O-CG 3.29Å; E127-Q131 WeakPolarHBondContact O-CG 3.48Å; E127-Q131 PolarHBondContact O-N 3.46Å
128D96.9Very high94.4Very high87 Ų8759.2 Ų59.247%0.46527%0.271SS..Hα-helixtrans-65.2-42.1178-63.9-31.7000110.9M124 K125 V130 Q131 F132M124-D128 HydrophobicContact CG-CB 3.71Å; M124-D128 HydrophobicContact SD-CB 4.18Å; K125-D128 PolarHBondContact O-N 3.25Å; D128-V130 PolarHBondContact O-N 3.28Å; D128-Q131 PolarHBondContact O-N 3.45Å; D128-F132 WeakPolarHBondContact O-CB 3.44Å; D128-F132 PolarHBondContact O-N 3Å
129A97.1Very high93.9Very high0 Ų062 Ų620%030%0.299CS..Hα-helixtrans-62.2-43.8176.800000111.9L119 I120 M124 K125 Y126 F132 I133L119-A129 HydrophobicContact CB-CB 4.05Å; L119-A129 HydrophobicContact CD1-CB 4.17Å; I120-A129 HydrophobicContact CD1-CB 4.48Å; I120-A129 HydrophobicContact CG1-CB 3.99Å; M124-A129 HydrophobicContact CG-CB 4.23Å; M124-A129 WeakPolarHBondContact SD-CA 3.41Å; M124-A129 HydrophobicContact SD-CB 3.81Å; M124-A129 PolarHBondContact SD-N 3.43Å; M124-A129 VanDerWaalsContact SD-N 3.45Å; K125-A129 PolarHBondContact O-N 3.32Å; Y126-A129 PolarHBondContact O-N 2.9Å; A129-F132 PolarHBondContact O-N 3.17Å; A129-I133 VanDerWaalsContact O-CG1 3.32Å; A129-I133 WeakPolarHBondContact O-CG1 3.49Å; A129-I133 PolarHBondContact O-N 2.96Å; A129-I133 VanDerWaalsContact O-N 3.1Å
130V96.1Very high93.6Very high9 Ų962 Ų626%0.05530%0.299CS..Hα-helixtrans-62.8-47.2176.2166.30000110.9Y126 E127 D128 I133 R134 F141 L146 L149Y126-V130 WeakPolarHBondContact O-CB 3.48Å; Y126-V130 VanDerWaalsContact O-CG2 3.29Å; Y126-V130 WeakPolarHBondContact O-CG2 3.24Å; Y126-V130 PolarHBondContact O-N 2.8Å; E127-V130 PolarHBondContact O-N 3.23Å; D128-V130 PolarHBondContact O-N 3.28Å; V130-I133 PolarHBondContact O-N 3.26Å; V130-R134 HydrophobicContact CG1-CG 4.47Å; V130-R134 WeakPolarHBondContact O-CB 3.38Å; V130-R134 VanDerWaalsContact O-CG 3.31Å; V130-R134 WeakPolarHBondContact O-CG 3.31Å; V130-R134 PolarHBondContact O-N 3.38Å; V130-F141 HydrophobicContact CB-CD2 4.44Å; V130-F141 HydrophobicContact CB-CE2 4.32Å; V130-F141 HydrophobicContact CG1-CD2 3.97Å; V130-F141 HydrophobicContact CG1-CE2 4.25Å; V130-F141 HydrophobicContact CG2-CD2 4.19Å; V130-F141 HydrophobicContact CG2-CE2 4.13Å; V130-L146 HydrophobicContact CB-CD2 4.36Å; V130-L146 HydrophobicContact CG1-CD2 3.66Å; V130-L146 HydrophobicContact CG2-CD2 3.72Å; V130-L149 HydrophobicContact CG2-CD1 3.78Å
131Q96.4Very high93.3Very high111 Ų11162.1 Ų62.152%0.51930%0.299SS..Hα-helixtrans-61.6-46.5178.3-74.9-71.9-12.400111.5E127 D128 I133 R134 Q135E127-Q131 WeakPolarHBondContact O-CB 3.37Å; E127-Q131 VanDerWaalsContact O-CG 3.29Å; E127-Q131 WeakPolarHBondContact O-CG 3.48Å; E127-Q131 PolarHBondContact O-N 3.46Å; D128-Q131 PolarHBondContact O-N 3.45Å; Q131-I133 VanDerWaalsContact C-N 3.33Å; Q131-I133 PolarHBondContact O-N 3.5Å; Q131-R134 PolarHBondContact O-N 3.14Å; Q131-R134 VanDerWaalsContact O-N 3.16Å; Q131-Q135 WeakPolarHBondContact O-CG 3.4Å; Q131-Q135 PolarHBondContact O-N 3.36Å
132F95.9Very high93Very high53 Ų5364.9 Ų64.923%0.23231%0.314CS..Hα-helixtrans-57.9-45.3179.8-173.1-114.9000112I12 T13 L119 D128 A129I12-F132 HydrophobicContact CG2-CD1 3.98Å; I12-F132 HydrophobicContact CG2-CE1 3.52Å; T13-F132 WeakPolarHBondContact O-CZ 3.47Å; L119-F132 HydrophobicContact CD1-CD1 3.83Å; L119-F132 HydrophobicContact CD1-CE1 4.5Å; D128-F132 WeakPolarHBondContact O-CB 3.44Å; D128-F132 PolarHBondContact O-N 3Å; A129-F132 PolarHBondContact O-N 3.17Å
133I95.1Very high93Very high0 Ų069.5 Ų69.50%035%0.346CS..Hα-helixtrans-69.2-40.7177.5-65.6167.2000110.9I12 P112 V115 A116 L119 A129 V130 Q131 Q135 K136 R137 A140 F141I12-I133 HydrophobicContact CD1-CB 4.23Å; I12-I133 HydrophobicContact CD1-CG1 3.75Å; I12-I133 HydrophobicContact CD1-CG2 4.04Å; P112-I133 HydrophobicContact CB-CG2 4.14Å; V115-I133 HydrophobicContact CB-CD1 4.31Å; V115-I133 HydrophobicContact CG1-CD1 4.21Å; A116-I133 HydrophobicContact CB-CD1 3.72Å; L119-I133 HydrophobicContact CD1-CD1 4.03Å; L119-I133 HydrophobicContact CD1-CG1 4.13Å; A129-I133 VanDerWaalsContact O-CG1 3.32Å; A129-I133 WeakPolarHBondContact O-CG1 3.49Å; A129-I133 PolarHBondContact O-N 2.96Å; A129-I133 VanDerWaalsContact O-N 3.1Å; V130-I133 PolarHBondContact O-N 3.26Å; Q131-I133 VanDerWaalsContact C-N 3.33Å; Q131-I133 PolarHBondContact O-N 3.5Å; I133-Q135 VanDerWaalsContact C-N 3.33Å; I133-Q135 PolarHBondContact O-N 3.37Å; I133-K136 PolarHBondContact O-N 2.91Å; I133-K136 VanDerWaalsContact O-N 3.15Å; I133-R137 PolarHBondContact O-N 3.25Å; I133-A140 HydrophobicContact CG2-CB 3.94Å; I133-F141 HydrophobicContact CB-CE2 3.96Å; I133-F141 HydrophobicContact CB-CZ 4.17Å; I133-F141 HydrophobicContact CD1-CE2 4.29Å; I133-F141 HydrophobicContact CD1-CZ 3.68Å; I133-F141 HydrophobicContact CG2-CE2 3.88Å; I133-F141 HydrophobicContact CG2-CZ 3.99Å
134R94.4Very high92.9Very high88 Ų8874.7 Ų74.733%0.33236%0.357SS..Hα-helixtrans-65.9-31179.3-79.9178.7169.5179.3-4.4114V130 Q131 K136 R137 R138 A140 F141V130-R134 HydrophobicContact CG1-CG 4.47Å; V130-R134 WeakPolarHBondContact O-CB 3.38Å; V130-R134 VanDerWaalsContact O-CG 3.31Å; V130-R134 WeakPolarHBondContact O-CG 3.31Å; V130-R134 PolarHBondContact O-N 3.38Å; Q131-R134 PolarHBondContact O-N 3.14Å; Q131-R134 VanDerWaalsContact O-N 3.16Å; R134-K136 PolarHBondContact O-N 3.45Å; R134-R137 CarbonylContact O-C 3.56Å; R134-R137 PolarHBondContact O-N 3.36Å; R134-R138 PolarHBondContact O-N 3.45Å; R134-A140 HydrophobicContact CG-CB 4.19Å; R134-A140 PolarHBondContact NE-O 2.91Å; R134-A140 PolarHBondContact NH2-O 3.44Å; R134-F141 HydrophobicContact CG-CD2 4.46Å; R134-F141 PolarHBondContact NH2-O 2.92Å
135Q93.8Very high92.8Very high144 Ų14473.3 Ų73.367%0.67335%0.35SS*.Hα-helixtrans-59.4-35.3173.1-75.2173.312.900111.8Q131 I133Q131-Q135 WeakPolarHBondContact O-CG 3.4Å; Q131-Q135 PolarHBondContact O-N 3.36Å; I133-Q135 VanDerWaalsContact C-N 3.33Å; I133-Q135 PolarHBondContact O-N 3.37Å
136K91Very high92.7Very high126 Ų12668.8 Ų68.855%0.54833%0.332SS..Hα-helixtrans-92-31.4179.4-59.2-65.3-165.8177.60112.9V10 I133 R134V10-K136 HydrophobicContact CG1-CB 3.45Å; V10-K136 VanDerWaalsContact CG1-CB 3.45Å; V10-K136 HydrophobicContact CG1-CG 4.44Å; I133-K136 PolarHBondContact O-N 2.91Å; I133-K136 VanDerWaalsContact O-N 3.15Å; R134-K136 PolarHBondContact O-N 3.45Å
137R88.1Confident92.6Very high13 Ų1369.7 Ų69.75%0.04934%0.341CS..SBendtrans-133.489-177.9-16678-174.9-125.8-16110.6P7 A8 V10 A106 L108 I133 R134 G139 A140P7-R137 VanDerWaalsContact CG-NH2 3.34Å; A8-R137 PolarHBondContact O-NH1 2.96Å; V10-R137 HydrophobicContact CG2-CB 4.31Å; A106-R137 PolarHBondContact O-NH2 3.49Å; L108-R137 HydrophobicContact CD2-CG 4.09Å; L108-R137 VanDerWaalsContact CD2-NE 3.31Å; I133-R137 PolarHBondContact O-N 3.25Å; R134-R137 CarbonylContact O-C 3.56Å; R134-R137 PolarHBondContact O-N 3.36Å; R137-G139 PolarHBondContact O-N 3.05Å; R137-A140 HydrophobicContact CB-CB 4.46Å; R137-A140 WeakPolarHBondContact O-CB 3.33Å; R137-A140 PolarHBondContact O-N 3.5Å; R137-A140 VanDerWaalsContact O-N 3.14Å
138R86.4Confident92.6Very high235 Ų23567.4 Ų67.489%0.88733%0.329SS*.THydrogen-bonded Turntrans-58.2133.3177-163.2175111.7177.33.8110.1R134R134-R138 PolarHBondContact O-N 3.45Å
139G85.6Confident92.5Very high57 Ų5763.3 Ų63.359%0.58831%0.307SS*.THydrogen-bonded Turntrans85.38.2-177.900000114.9R137R137-G139 PolarHBondContact O-N 3.05Å
140A88.9Confident92.5Very high0 Ų068.2 Ų68.20%033%0.33CS..  trans-62141.3168.800000111.4L108 P112 I133 R134 R137L108-A140 WeakPolarHBondContact O-CA 3.31Å; P112-A140 HydrophobicContact CB-CB 4.25Å; P112-A140 HydrophobicContact CG-CB 4.21Å; I133-A140 HydrophobicContact CG2-CB 3.94Å; R134-A140 HydrophobicContact CG-CB 4.19Å; R134-A140 PolarHBondContact NE-O 2.91Å; R134-A140 PolarHBondContact NH2-O 3.44Å; R137-A140 HydrophobicContact CB-CB 4.46Å; R137-A140 WeakPolarHBondContact O-CB 3.33Å; R137-A140 PolarHBondContact O-N 3.5Å; R137-A140 VanDerWaalsContact O-N 3.14Å
141F90.2Very high92.5Very high12 Ų1274.5 Ų74.55%0.05336%0.356CS..  trans69.6133.1179.6-44.2-74.6000115.9L108 P112 V113 A116 V130 I133 R134 Q145 L146 L149L108-F141 PolarHBondContact O-N 3.15Å; P112-F141 VanDerWaalsContact C-CE1 3.47Å; P112-F141 HydrophobicContact CB-CD1 4.18Å; P112-F141 HydrophobicContact CB-CE1 3.53Å; P112-F141 HydrophobicContact CB-CE2 4.37Å; P112-F141 HydrophobicContact CB-CZ 3.63Å; P112-F141 WeakPolarHBondContact O-CE1 3.14Å; V113-F141 HydrophobicContact CG2-CD1 4.01Å; V113-F141 HydrophobicContact CG2-CE1 4.11Å; A116-F141 HydrophobicContact CB-CE1 4.1Å; A116-F141 HydrophobicContact CB-CZ 3.95Å; V130-F141 HydrophobicContact CB-CD2 4.44Å; V130-F141 HydrophobicContact CB-CE2 4.32Å; V130-F141 HydrophobicContact CG1-CD2 3.97Å; V130-F141 HydrophobicContact CG1-CE2 4.25Å; V130-F141 HydrophobicContact CG2-CD2 4.19Å; V130-F141 HydrophobicContact CG2-CE2 4.13Å; I133-F141 HydrophobicContact CB-CE2 3.96Å; I133-F141 HydrophobicContact CB-CZ 4.17Å; I133-F141 HydrophobicContact CD1-CE2 4.29Å; I133-F141 HydrophobicContact CD1-CZ 3.68Å; I133-F141 HydrophobicContact CG2-CE2 3.88Å; I133-F141 HydrophobicContact CG2-CZ 3.99Å; R134-F141 HydrophobicContact CG-CD2 4.46Å; R134-F141 PolarHBondContact NH2-O 2.92Å; F141-Q145 HydrophobicContact CB-CB 4.44Å; F141-Q145 HydrophobicContact CD1-CB 4.44Å; F141-L146 HydrophobicContact CB-CD2 3.75Å; F141-L146 HydrophobicContact CB-CG 4.01Å; F141-L146 HydrophobicContact CD2-CD2 4.4Å; F141-L146 HydrophobicContact CG-CD2 4.19Å; F141-L149 HydrophobicContact CD1-CD1 3.96Å; F141-L149 HydrophobicContact CE1-CD1 3.78Å; F141-L149 HydrophobicContact CZ-CD1 4.32Å
142N89.8Confident92.5Very high59 Ų5970.6 Ų70.632%0.31634%0.337SS..  trans-93.8172.516470.842.5000111.7G73 K144 Q145 L146G73-N142 WeakPolarHBondContact CA-ND2 3.23Å; N142-K144 VanDerWaalsContact C-N 3.31Å; N142-K144 PolarHBondContact O-N 3.46Å; N142-K144 WeakPolarHBondContact OD1-CB 3.33Å; N142-K144 PolarHBondContact OD1-N 3.16Å; N142-Q145 VanDerWaalsContact N-OE1 3.08Å; N142-Q145 PolarHBondContact O-N 3.38Å; N142-Q145 VanDerWaalsContact O-N 3.15Å; N142-Q145 WeakPolarHBondContact OD1-CG 3.39Å; N142-Q145 PolarHBondContact OD1-N 3.29Å; N142-L146 WeakPolarHBondContact O-CG 3.44Å; N142-L146 PolarHBondContact O-N 3.05Å
143S90.5Very high92.3Very high99 Ų9978.4 Ų78.469%0.69237%0.365SS*.Hα-helixtrans-59.3-36.2-176.8-480000114.1L146 L147S143-L146 PolarHBondContact O-N 2.87Å; S143-L147 WeakPolarHBondContact O-CB 3.23Å; S143-L147 PolarHBondContact O-N 2.99Å
144K91.4Very high92.2Very high152 Ų15280.9 Ų80.966%0.66138%0.381SS*.Hα-helixtrans-66.9-40177.7-65-178.1178.9-1800111.4G73 N142 L147 Y148G73-K144 WeakPolarHBondContact O-CB 3.22Å; G73-K144 WeakPolarHBondContact O-CD 3.42Å; N142-K144 VanDerWaalsContact C-N 3.31Å; N142-K144 PolarHBondContact O-N 3.46Å; N142-K144 WeakPolarHBondContact OD1-CB 3.33Å; N142-K144 PolarHBondContact OD1-N 3.16Å; K144-L147 PolarHBondContact O-N 3.48Å; K144-Y148 PolarHBondContact O-N 3.25Å
145Q92.1Very high91.9Very high1 Ų180.7 Ų80.71%0.00538%0.383CS..Hα-helixtrans-69.9-38178.3-68.6170.9-28.200112G109 V113 F141 N142 Y148 L149G109-Q145 PolarHBondContact O-NE2 2.59Å; V113-Q145 HydrophobicContact CG2-CB 3.95Å; V113-Q145 HydrophobicContact CG2-CG 3.8Å; F141-Q145 HydrophobicContact CB-CB 4.44Å; F141-Q145 HydrophobicContact CD1-CB 4.44Å; N142-Q145 VanDerWaalsContact N-OE1 3.08Å; N142-Q145 PolarHBondContact O-N 3.38Å; N142-Q145 VanDerWaalsContact O-N 3.15Å; N142-Q145 WeakPolarHBondContact OD1-CG 3.39Å; N142-Q145 PolarHBondContact OD1-N 3.29Å; Q145-Y148 WeakPolarHBondContact O-CB 3.38Å; Q145-Y148 PolarHBondContact O-N 3.39Å; Q145-L149 WeakPolarHBondContact O-CG 3.33Å; Q145-L149 PolarHBondContact O-N 2.88Å
146L94.1Very high91.3Very high46 Ų4677 Ų7724%0.24137%0.366CS..Hα-helixtrans-61.4-47172.9-67.6175000111.3V130 F141 N142 S143 Y148 L149 E150V130-L146 HydrophobicContact CB-CD2 4.36Å; V130-L146 HydrophobicContact CG1-CD2 3.66Å; V130-L146 HydrophobicContact CG2-CD2 3.72Å; F141-L146 HydrophobicContact CB-CD2 3.75Å; F141-L146 HydrophobicContact CB-CG 4.01Å; F141-L146 HydrophobicContact CD2-CD2 4.4Å; F141-L146 HydrophobicContact CG-CD2 4.19Å; N142-L146 WeakPolarHBondContact O-CG 3.44Å; N142-L146 PolarHBondContact O-N 3.05Å; S143-L146 PolarHBondContact O-N 2.87Å; L146-Y148 VanDerWaalsContact C-N 3.25Å; L146-Y148 PolarHBondContact O-N 2.94Å; L146-L149 PolarHBondContact O-N 2.87Å; L146-L149 VanDerWaalsContact O-N 3.17Å; L146-E150 WeakPolarHBondContact O-CB 3.4Å; L146-E150 PolarHBondContact O-N 3.2Å
147L94.8Very high90.9Very high82 Ų8275.9 Ų75.943%0.42936%0.359SS..Hα-helixtrans-61.2-35.6177-175.166.4000112.1S143 K144 K151S143-L147 WeakPolarHBondContact O-CB 3.23Å; S143-L147 PolarHBondContact O-N 2.99Å; K144-L147 PolarHBondContact O-N 3.48Å; L147-K151 HydrophobicContact CD1-CD 4.49Å; L147-K151 HydrophobicContact CG-CD 4.43Å; L147-K151 WeakPolarHBondContact O-CG 3.36Å; L147-K151 PolarHBondContact O-N 3.49Å
148Y95.4Very high90.7Very high41 Ų4175.4 Ų75.416%0.16136%0.357CS..Hα-helixtrans-64.6-48.8173.3169.1-105.4000111.9P75 P76 V113 L117 K144 Q145 L146 E150 K151 Y152P75-Y148 HydrophobicContact CB-CD1 4Å; P75-Y148 HydrophobicContact CB-CD2 3.32Å; P75-Y148 HydrophobicContact CB-CE1 4.24Å; P75-Y148 HydrophobicContact CB-CE2 3.6Å; P75-Y148 HydrophobicContact CB-CG 3.53Å; P75-Y148 HydrophobicContact CG-CD2 4.13Å; P76-Y148 HydrophobicContact CG-CE1 4.23Å; V113-Y148 HydrophobicContact CG1-CD1 4.12Å; V113-Y148 HydrophobicContact CG1-CE1 4.02Å; L117-Y148 HydrophobicContact CD1-CE1 4.24Å; L117-Y148 HydrophobicContact CD2-CE1 4.03Å; L117-Y148 HydrophobicContact CG-CE1 4.47Å; K144-Y148 PolarHBondContact O-N 3.25Å; Q145-Y148 WeakPolarHBondContact O-CB 3.38Å; Q145-Y148 PolarHBondContact O-N 3.39Å; L146-Y148 VanDerWaalsContact C-N 3.25Å; L146-Y148 PolarHBondContact O-N 2.94Å; Y148-E150 VanDerWaalsContact C-N 3.32Å; Y148-E150 PolarHBondContact O-N 3.23Å; Y148-K151 PolarHBondContact O-N 2.71Å; Y148-Y152 PolarHBondContact O-N 2.99Å
149L95.8Very high90Very high1 Ų172.3 Ų72.31%0.00535%0.345CS..Hα-helixtrans-64.1-36.2179.8-68.7173.6000112.4V113 A116 L117 I120 Y126 V130 F141 Q145 L146 K151 Y152V113-L149 HydrophobicContact CG1-CD2 4.41Å; A116-L149 HydrophobicContact CB-CD1 3.84Å; A116-L149 HydrophobicContact CB-CD2 3.88Å; L117-L149 HydrophobicContact CD2-CD2 4.11Å; L117-L149 HydrophobicContact CG-CD2 4.3Å; I120-L149 HydrophobicContact CD1-CD2 4.01Å; Y126-L149 HydrophobicContact CD2-CB 4.33Å; V130-L149 HydrophobicContact CG2-CD1 3.78Å; F141-L149 HydrophobicContact CD1-CD1 3.96Å; F141-L149 HydrophobicContact CE1-CD1 3.78Å; F141-L149 HydrophobicContact CZ-CD1 4.32Å; Q145-L149 WeakPolarHBondContact O-CG 3.33Å; Q145-L149 PolarHBondContact O-N 2.88Å; L146-L149 PolarHBondContact O-N 2.87Å; L146-L149 VanDerWaalsContact O-N 3.17Å; L149-K151 VanDerWaalsContact C-N 3.34Å; L149-Y152 WeakPolarHBondContact O-CB 3.44Å; L149-Y152 PolarHBondContact O-N 3.31Å
150E96.2Very high89Confident104 Ų10472.4 Ų72.449%0.48633%0.33SS..Hα-helixtrans-61.5-40.8174.1177179.6-158.500112.2Y126 L146 Y148Y126-E150 HydrophobicContact CD2-CB 4.16Å; Y126-E150 HydrophobicContact CE1-CB 4.23Å; Y126-E150 HydrophobicContact CE1-CG 4.1Å; Y126-E150 HydrophobicContact CE2-CB 3.66Å; Y126-E150 HydrophobicContact CE2-CG 4.19Å; L146-E150 WeakPolarHBondContact O-CB 3.4Å; L146-E150 PolarHBondContact O-N 3.2Å; Y148-E150 VanDerWaalsContact C-N 3.32Å; Y148-E150 PolarHBondContact O-N 3.23Å
151K95.9Very high87.4Confident140 Ų14081.9 Ų81.961%0.60937%0.371SS*.Hα-helixtrans-83.5-13.4-179.8-68.7178.2-179.3-179.30113.4L147 Y148 L149 R153L147-K151 HydrophobicContact CD1-CD 4.49Å; L147-K151 HydrophobicContact CG-CD 4.43Å; L147-K151 WeakPolarHBondContact O-CG 3.36Å; L147-K151 PolarHBondContact O-N 3.49Å; Y148-K151 PolarHBondContact O-N 2.71Å; L149-K151 VanDerWaalsContact C-N 3.34Å; K151-R153 PolarHBondContact O-N 3.41Å
152Y96.3Very high85.5Confident30 Ų3087.6 Ų87.612%0.11840%0.402CS..  trans-64.4129.2-177-176.4-101.7000110.9V81 L117 I120 E121 Y148 L149 P154V81-Y152 HydrophobicContact CG1-CE2 4.25Å; L117-Y152 HydrophobicContact CD2-CD1 3.67Å; L117-Y152 HydrophobicContact CD2-CD2 3.56Å; L117-Y152 HydrophobicContact CD2-CE1 3.72Å; L117-Y152 HydrophobicContact CD2-CE2 3.61Å; L117-Y152 HydrophobicContact CD2-CG 3.6Å; I120-Y152 HydrophobicContact CG2-CD1 4.01Å; I120-Y152 HydrophobicContact CG2-CE1 4.32Å; E121-Y152 HydrophobicContact CG-CE1 4.36Å; E121-Y152 WeakPolarHBondContact OE1-CE1 3.18Å; E121-Y152 PolarHBondContact OE1-OH 2.97Å; Y148-Y152 PolarHBondContact O-N 2.99Å; L149-Y152 WeakPolarHBondContact O-CB 3.44Å; L149-Y152 PolarHBondContact O-N 3.31Å; Y152-P154 HydrophobicContact CE1-CB 4.23Å
153R93.6Very high83.4Confident216 Ų21690.6 Ų90.682%0.81543%0.428SS*.  trans-107114.1176.1-67.4-66.1-176.2171.8-2.1108.8K151K151-R153 PolarHBondContact O-N 3.41Å
154P91.7Very high81.1Confident52 Ų5292.1 Ų92.134%0.33843%0.428SS..  trans-67141.3-176.125.7-32.7000111.7I120 E121 Y152 M156I120-P154 HydrophobicContact CG2-CB 4.16Å; I120-P154 HydrophobicContact CG2-CG 4.3Å; E121-P154 WeakPolarHBondContact OE1-CA 3.4Å; Y152-P154 HydrophobicContact CE1-CB 4.23Å; P154-M156 VanDerWaalsContact C-N 3.28Å; P154-M156 HydrophobicContact CB-SD 3.67Å; P154-M156 HydrophobicContact CG-SD 3.71Å
155K89.5Confident78.6Confident85 Ų8588.3 Ų88.337%0.3743%0.432SS..  trans-84.2-8.2174.5-56.4-177.7-170.2179.80111.8D82 E121 R157D82-K155 VanDerWaalsContact CG-NZ 3.27Å; D82-K155 IonicContact OD1-NZ 2.64Å; D82-K155 PolarHBondContact OD1-NZ 3.24Å; D82-K155 IonicContact OD2-NZ 3.16Å; D82-K155 PolarHBondContact OD2-NZ 2.9Å; D82-K155 VanDerWaalsContact OD2-NZ 3.16Å; E121-K155 PolarHBondContact OE1-N 3.47Å; E121-K155 PolarHBondContact OE2-N 2.76Å; K155-R157 VanDerWaalsContact C-N 3.29Å; K155-R157 HydrophobicContact CB-CG 3.87Å; K155-R157 PolarHBondContact O-N 3.13Å
156M81.2Confident76.3Confident66 Ų6695.4 Ų95.433%0.32547%0.465SS..  trans61.432.4179.7-50.5-55.3-65.600113.5E121 P154 R159E121-M156 WeakPolarHBondContact OE2-CA 3.32Å; E121-M156 PolarHBondContact OE2-N 3.08Å; P154-M156 VanDerWaalsContact C-N 3.28Å; P154-M156 HydrophobicContact CB-SD 3.67Å; P154-M156 HydrophobicContact CG-SD 3.71Å; M156-R159 HydrophobicContact CE-CG 3.94Å; M156-R159 VanDerWaalsContact CE-NH2 3.26Å
157R82.1Confident73.8Confident102 Ų102104.4 Ų104.439%0.38550%0.495SS..THydrogen-bonded Turntrans-80.2-18.1-173.1-70.3-178178.1173.95.3114.1D82 E121 K155D82-R157 IonicContact OD1-CZ 3.47Å; D82-R157 IonicContact OD1-NH1 2.67Å; D82-R157 PolarHBondContact OD1-NH1 3Å; D82-R157 IonicContact OD1-NH2 3.64Å; E121-R157 PolarHBondContact OE2-N 3.07Å; K155-R157 VanDerWaalsContact C-N 3.29Å; K155-R157 HydrophobicContact CB-CG 3.87Å; K155-R157 PolarHBondContact O-N 3.13Å
158L82.5Confident71.3Confident3 Ų3107.6 Ų107.62%0.01651%0.513CS..THydrogen-bonded Turntrans-106.718.7-178.7-59.9-179.1000113.2M17 L85 L88 K89 A118 E121 C122 F160M17-L158 HydrophobicContact SD-CD1 4.22Å; L85-L158 HydrophobicContact CD2-CD1 3.72Å; L85-L158 HydrophobicContact CD2-CG 4.29Å; L88-L158 HydrophobicContact CB-CD1 4.2Å; L88-L158 HydrophobicContact CB-CD2 4.12Å; L88-L158 HydrophobicContact CD1-CD1 3.86Å; K89-L158 HydrophobicContact CB-CD2 3.9Å; A118-L158 HydrophobicContact CB-CD1 4.42Å; E121-L158 HydrophobicContact CB-CB 4.11Å; E121-L158 HydrophobicContact CB-CD1 3.95Å; E121-L158 HydrophobicContact CB-CG 4.11Å; C122-L158 VanDerWaalsContact SG-CB 3.53Å; C122-L158 PolarHBondContact SG-O 3.26Å; L158-F160 VanDerWaalsContact C-N 3.33Å; L158-F160 VanDerWaalsContact O-CD2 3.27Å; L158-F160 WeakPolarHBondContact O-CD2 3.49Å; L158-F160 PolarHBondContact O-N 3.39Å
159R72.9Confident68.6Low170 Ų170112.2 Ų112.264%0.64254%0.54SS*.  trans-7193166.8-82.4-168.5166.4173.97.3109.5M156 K161M156-R159 HydrophobicContact CE-CG 3.94Å; M156-R159 VanDerWaalsContact CE-NH2 3.26Å; R159-K161 PolarHBondContact O-N 3.42Å
160F64.6Low66.3Low59 Ų59116.6 Ų116.626%0.25957%0.57SS.*PPolyproline II helixtrans-59.8124160-56.8-79.4000107.1N16 M17 L158 D162N16-F160 WeakPolarHBondContact ND2-CE1 3.45Å; N16-F160 WeakPolarHBondContact ND2-CZ 3.44Å; N16-F160 VanDerWaalsContact OD1-CD2 3.27Å; N16-F160 WeakPolarHBondContact OD1-CD2 3.35Å; N16-F160 WeakPolarHBondContact OD1-CE2 3.47Å; M17-F160 HydrophobicContact CG-CE2 4.2Å; M17-F160 HydrophobicContact SD-CE2 4.19Å; L158-F160 VanDerWaalsContact C-N 3.33Å; L158-F160 VanDerWaalsContact O-CD2 3.27Å; L158-F160 WeakPolarHBondContact O-CD2 3.49Å; L158-F160 PolarHBondContact O-N 3.39Å; F160-D162 PolarHBondContact O-N 3.16Å; F160-D162 VanDerWaalsContact O-N 3.11Å
161K55.9Low63.6Low200 Ų200117.2 Ų117.287%0.8758%0.584SS**PPolyproline II helixtrans-58.7117.9170.2-107.1-179.6175.51790106.1R159 S163R159-K161 PolarHBondContact O-N 3.42Å; K161-S163 PolarHBondContact O-N 3.37Å; K161-S163 VanDerWaalsContact O-N 3.15Å
162D49Very low61.2Low131 Ų131117 Ų11770%0.70159%0.589SS**PPolyproline II helixtrans-57.8122.3168.7-64.4-47.7000107.1F160 N164F160-D162 PolarHBondContact O-N 3.16Å; F160-D162 VanDerWaalsContact O-N 3.11Å; D162-N164 PolarHBondContact O-N 3.44Å
163S47Very low58.6Low123 Ų123127.9 Ų127.986%0.8664%0.641SS**SBendtrans-66.34.7174-45.80000112.7K161 G165K161-S163 PolarHBondContact O-N 3.37Å; K161-S163 VanDerWaalsContact O-N 3.15Å; S163-G165 PolarHBondContact O-N 3.39Å
164N41.9Very low56.8Low131 Ų131123.5 Ų123.570%0.70163%0.632SS**  trans-9566.2174-97.39000111.3D162 H166D162-N164 PolarHBondContact O-N 3.44Å; N164-H166 PolarHBondContact O-N 3.43Å
165G38.4Very low55Low71 Ų71127.3 Ų127.373%0.73265%0.647SS**  trans-72.176.1150.500000109.1S163 R167S163-G165 PolarHBondContact O-N 3.39Å; G165-R167 VanDerWaalsContact C-N 3.31Å; G165-R167 PolarHBondContact O-N 2.93Å
166H43.3Very low53.1Low151 Ų151129.6 Ų129.670%0.69966%0.663SS**  trans-59.3104.1156.9-106.277.8000105.9N164 N168N164-H166 PolarHBondContact O-N 3.43Å; H166-N168 PolarHBondContact O-N 3.33Å
167R42.7Very low51.4Low234 Ų234133.4 Ų133.488%0.88368%0.683SS**  trans-60.795.7162.7-79.6-179.4171.2173.7-3.3106G165 N169G165-R167 VanDerWaalsContact C-N 3.31Å; G165-R167 PolarHBondContact O-N 2.93Å; R167-N169 PolarHBondContact O-N 2.9Å
168N41.2Very low49.5Very low150 Ų150135.3 Ų135.380%0.80270%0.701SS**  trans-63.786156.5-76.3-11.7000106.1H166 C170H166-N168 PolarHBondContact O-N 3.33Å; N168-C170 PolarHBondContact O-N 2.73Å; N168-C170 VanDerWaalsContact O-N 3.15Å
169N39.8Very low47.3Very low137 Ų137144.1 Ų144.173%0.73375%0.747SS**  trans-76.7101.8167.1-147.842.7000106.2R167 C171R167-N169 PolarHBondContact O-N 2.9Å; N169-C171 PolarHBondContact O-N 3.28Å
170C45.5Very low45.5Very low94 Ų94142.3 Ų142.364%0.63576%0.755SS**  trans-48.4114.3161.8-178.30000109.2N168N168-C170 PolarHBondContact O-N 2.73Å; N168-C170 VanDerWaalsContact O-N 3.15Å
171C41.5Very low44Very low116 Ų116148.7 Ų148.778%0.78479%0.793SS**  trans-115.985.9158.9-51.10000105.8N169N169-C171 PolarHBondContact O-N 3.28Å
172I45.2Very low43Very low137 Ų137144.4 Ų144.470%0.70379%0.786SS**  trans-80.2122.1161.1-73.3168.8000106.2
173Q40.8Very low42.5Very low258 Ų258145.6 Ų145.6100%1.20679%0.794SS**  trans71.90154-142.4165.81.200119.5

Retrieved 173 of 173 residues in 63.3 ms (Link to these results)

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