POP5_HUMAN Loading...

Ribonuclease P/MRP protein subunit POP5

Component of ribonuclease P, a protein complex that generates mature tRNA molecules by cleaving their 5'-ends1,2. Also a component of the MRP ribonuclease complex, which cleaves pre-rRNA sequences3.

AlphaFold DB , UniProt , Accession Q969H6, Species HUMAN (Homo sapiens, Human), Gene POP5, Length 163 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
1M66.5Low91.5Very high248 Ų24892.7 Ų92.7100%1.22242%0.422SS*.  0117.40-165.5-178.8-163.500108.4
2V80.7Confident92Very high130 Ų13088.8 Ų88.879%0.78841%0.405SS*.PPolyproline II helixtrans-93.8126.9-177.1-173.40000109.5
3R85.6Confident92.4Very high221 Ų22181.9 Ų81.983%0.83437%0.373SS*.PPolyproline II helixtrans-87.9124.2176.3175.8179.8176.5174.12.3110.5
4F88.4Confident92.6Very high124 Ų12478.7 Ų78.754%0.54436%0.363SS..PPolyproline II helixtrans-69.1130.8169.4-65.4-67.9000111.2
5K95.2Very high92.7Very high137 Ų13774.8 Ų74.860%0.59635%0.348SS*.PPolyproline II helixtrans-95.2140.3176.2-67.5-177-179.4177.40110.1K71K5-K71 HydrophobicContact CB-CB 3.88Å; K5-K71 HydrophobicContact CB-CD 4.01Å; K5-K71 HydrophobicContact CD-CD 4.19Å; K5-K71 WeakPolarHBondContact O-CB 3.26Å; K5-K71 PolarHBondContact O-N 2.9Å
6H97.2Very high92.7Very high58 Ų5880.4 Ų80.427%0.26938%0.381SS..EExtended strand (participates in β ladder)trans-108.5158.3177.6-67.4-60.8000112.2Y8 R68 C69H6-Y8 HydrophobicContact CB-CE2 4.14Å; H6-R68 HydrophobicContact CB-CG 4.11Å; H6-C69 VanDerWaalsContact CA-O 3.27Å; H6-C69 WeakPolarHBondContact CA-O 3.38Å; H6-C69 PolarHBondContact ND1-O 3.19Å
7R98Very high92.6Very high71 Ų7178.9 Ų78.927%0.26838%0.376SS..EExtended strand (participates in β ladder)trans-123.3150.6163.3-73.5-65.8-167.7173.12109.1R68 C69 K71 Y74 V103 G104R7-R68 WeakPolarHBondContact O-CA 3.44Å; R7-C69 PolarHBondContact N-O 2.97Å; R7-C69 PolarHBondContact O-N 2.85Å; R7-K71 HydrophobicContact CG-CB 4.08Å; R7-K71 HydrophobicContact CG-CG 4.05Å; R7-Y74 HydrophobicContact CB-CD2 4.47Å; R7-Y74 HydrophobicContact CB-CG 4.04Å; R7-Y74 HydrophobicContact CG-CD1 4.07Å; R7-Y74 HydrophobicContact CG-CD2 4.47Å; R7-Y74 HydrophobicContact CG-CG 3.93Å; R7-V103 HydrophobicContact CB-CG1 4.49Å; R7-G104 WeakPolarHBondContact CA-O 3.48Å; R7-G104 WeakPolarHBondContact CD-O 3.45Å
8Y98.8Very high92.2Very high28 Ų2879.3 Ų79.311%0.1139%0.386CS..EExtended strand (participates in β ladder)trans-121120.8178.4-63.8-93.4000108.5H6 R56 L66 L67 R68 V103 G104 G105 I107H6-Y8 HydrophobicContact CB-CE2 4.14Å; Y8-R56 HydrophobicContact CE1-CG 4.35Å; Y8-L66 HydrophobicContact CD1-CD2 4.36Å; Y8-L66 HydrophobicContact CD1-CG 4.36Å; Y8-L67 CarbonylContact C-O 3.16Å; Y8-L67 WeakPolarHBondContact CA-O 3.21Å; Y8-R68 HydrophobicContact CD1-CB 3.92Å; Y8-R68 HydrophobicContact CD1-CG 4.12Å; Y8-R68 HydrophobicContact CE1-CB 3.75Å; Y8-R68 HydrophobicContact CE1-CG 3.63Å; Y8-V103 CarbonylContact O-C 3.52Å; Y8-V103 WeakPolarHBondContact O-CA 3.49Å; Y8-G104 PolarHBondContact N-O 3.33Å; Y8-G104 PolarHBondContact O-N 3.15Å; Y8-G105 WeakPolarHBondContact CE2-O 3.26Å; Y8-I107 HydrophobicContact CD1-CG1 3.81Å; Y8-I107 HydrophobicContact CE1-CD1 3.89Å; Y8-I107 HydrophobicContact CE1-CG1 3.37Å; Y8-I107 HydrophobicContact CE2-CG1 4.44Å
9L98.8Very high92Very high0 Ų083.2 Ų83.20%040%0.396CS..EExtended strand (participates in β ladder)trans-97.1112.6173.9-65.673.3000106.6L66 L67 C69 V77 W78 L81 V103L9-L66 WeakPolarHBondContact O-CA 3.32Å; L9-L67 HydrophobicContact CB-CB 4.34Å; L9-L67 PolarHBondContact N-O 3.3Å; L9-L67 PolarHBondContact O-N 2.94Å; L9-C69 VanDerWaalsContact CD1-SG 3.54Å; L9-V77 HydrophobicContact CD2-CG1 4.14Å; L9-W78 HydrophobicContact CD2-CB 3.69Å; L9-W78 HydrophobicContact CD2-CG 4.11Å; L9-L81 HydrophobicContact CD2-CD1 3.95Å; L9-V103 HydrophobicContact CG-CG2 4.42Å
10L98.8Very high91.8Very high3 Ų379.1 Ų79.12%0.01638%0.377CS..EExtended strand (participates in β ladder)trans-89.1118.3168.9179.369.4000107.3I64 V65 L66 L101 H102 C110 F113 L114L10-I64 HydrophobicContact CD1-CG2 3.7Å; L10-V65 WeakPolarHBondContact CA-O 3.41Å; L10-L66 HydrophobicContact CB-CD1 3.97Å; L10-L66 HydrophobicContact CD1-CD1 4.08Å; L10-L101 HydrophobicContact CD2-CB 4.35Å; L10-L101 HydrophobicContact CG-CB 4.32Å; L10-L101 HydrophobicContact CG-CD1 4.41Å; L10-L101 PolarHBondContact O-N 3.41Å; L10-H102 HydrophobicContact CB-CB 4.17Å; L10-H102 HydrophobicContact CD2-CB 4.26Å; L10-H102 PolarHBondContact N-O 3.13Å; L10-H102 PolarHBondContact O-N 3.46Å; L10-H102 VanDerWaalsContact O-N 3.12Å; L10-C110 HydrophobicContact CB-CB 4.49Å; L10-F113 HydrophobicContact CD2-CD1 3.66Å; L10-F113 HydrophobicContact CD2-CE1 4.3Å; L10-L114 HydrophobicContact CD1-CD1 4.4Å; L10-L114 HydrophobicContact CD1-CD2 4.33Å; L10-L114 HydrophobicContact CD2-CB 3.9Å; L10-L114 HydrophobicContact CD2-CD1 4.27Å
11C98.6Very high91.7Very high0 Ų077 Ų770%037%0.365CS..EExtended strand (participates in β ladder)trans-128.6161.1-176.1-55.30000110.3I64 V65 L81 F98 N99C11-I64 WeakPolarHBondContact O-CA 3.43Å; C11-V65 HydrophobicContact CB-CB 4.48Å; C11-V65 PolarHBondContact N-O 3.17Å; C11-V65 PolarHBondContact O-N 3.42Å; C11-L81 WeakPolarHBondContact SG-CD1 3.43Å; C11-F98 HydrophobicContact CB-CD1 3.94Å; C11-N99 CarbonylContact C-O 3.5Å; C11-N99 WeakPolarHBondContact CA-O 3.2Å; C11-N99 WeakPolarHBondContact CB-O 3.44Å
12E97.4Very high92.5Very high45 Ų4571.7 Ų71.721%0.2134%0.341CS..EExtended strand (participates in β ladder)trans-121.1127.2171176.7-173.4-147.700107.8V14 G63 I64 N99 L101 Y117E12-V14 HydrophobicContact CG-CG2 3.83Å; E12-G63 CarbonylContact C-O 3.57Å; E12-G63 WeakPolarHBondContact CA-O 3.35Å; E12-I64 HydrophobicContact CB-CD1 4.13Å; E12-I64 HydrophobicContact CG-CD1 4.38Å; E12-N99 HydrophobicContact CB-CB 4.33Å; E12-N99 PolarHBondContact N-O 3.19Å; E12-N99 PolarHBondContact O-N 2.92Å; E12-N99 PolarHBondContact OE2-ND2 2.79Å; E12-L101 HydrophobicContact CB-CD1 4.01Å; E12-L101 HydrophobicContact CB-CD2 4.33Å; E12-L101 HydrophobicContact CB-CG 4.17Å; E12-Y117 PolarHBondContact OE2-OH 3.07Å
13L96.8Very high92.6Very high0 Ų068.1 Ų68.10%032%0.322CS..EExtended strand (participates in β ladder)trans-88.7103.5172.8173.662.7000109.2R21 L24 G63 L87 C96 F98L13-R21 HydrophobicContact CD2-CG 3.78Å; L13-R21 HydrophobicContact CG-CG 4.32Å; L13-R21 PolarHBondContact O-NH1 3.01Å; L13-L24 HydrophobicContact CD2-CD2 3.39Å; L13-G63 PolarHBondContact N-O 3.17Å; L13-L87 HydrophobicContact CD1-CD1 4.3Å; L13-L87 HydrophobicContact CD2-CD1 3.47Å; L13-L87 VanDerWaalsContact CD2-CD1 3.47Å; L13-L87 HydrophobicContact CG-CD1 4.42Å; L13-C96 HydrophobicContact CD1-CB 3.74Å; L13-F98 HydrophobicContact CB-CE1 4.49Å; L13-F98 HydrophobicContact CB-CZ 4.4Å; L13-F98 HydrophobicContact CD1-CD2 4Å; L13-F98 HydrophobicContact CD1-CE2 3.64Å; L13-F98 HydrophobicContact CD1-CZ 4.05Å
14V95.8Very high92.8Very high37 Ų3758.4 Ų58.422%0.22429%0.286CS..EExtended strand (participates in β ladder)trans-94.1132-176.4-1750000109.6E12 C96 F97 N99E12-V14 HydrophobicContact CG-CG2 3.83Å; V14-C96 CarbonylContact O-C 3.52Å; V14-C96 WeakPolarHBondContact O-CA 3.38Å; V14-C96 VanDerWaalsContact O-CB 3.28Å; V14-C96 WeakPolarHBondContact O-CB 3.46Å; V14-F97 HydrophobicContact CB-CD1 3.98Å; V14-F97 HydrophobicContact CB-CD2 4.43Å; V14-F97 HydrophobicContact CB-CE1 3.51Å; V14-F97 HydrophobicContact CB-CE2 4.02Å; V14-F97 HydrophobicContact CB-CG 4.42Å; V14-F97 HydrophobicContact CB-CZ 3.53Å; V14-F97 HydrophobicContact CG1-CD1 4.3Å; V14-F97 HydrophobicContact CG1-CE1 3.46Å; V14-F97 VanDerWaalsContact CG1-CE1 3.46Å; V14-F97 HydrophobicContact CG1-CZ 3.6Å; V14-F97 HydrophobicContact CG2-CE1 4.31Å; V14-F97 HydrophobicContact CG2-CE2 3.97Å; V14-F97 HydrophobicContact CG2-CZ 3.8Å; V14-F97 PolarHBondContact N-O 3.48Å; V14-F97 PolarHBondContact O-N 3.45Å; V14-N99 HydrophobicContact CG2-CB 4.18Å
15S94.4Very high93.1Very high20 Ų2055.9 Ų55.914%0.1428%0.279CS..  trans-157145174.7-172.70000108.6D17 C20 P95S15-D17 VanDerWaalsContact C-N 3.32Å; S15-C20 WeakPolarHBondContact OG-CB 3.27Å; S15-C20 PolarHBondContact OG-SG 3.11Å; S15-P95 WeakPolarHBondContact CB-O 3.38Å; S15-P95 PolarHBondContact OG-O 2.97Å
16D91.6Very high93.1Very high165 Ų16553.3 Ų53.388%0.88227%0.272SS*.SBendtrans-72.4-27.6177.7-60.2-36.1000112
17D91.5Very high92.9Very high54 Ų5460.6 Ų60.629%0.28930%0.297SS..  trans-102115.8179-169-25.9000110.6S15 R19 C20 Y94S15-D17 VanDerWaalsContact C-N 3.32Å; D17-R19 PolarHBondContact O-N 3.37Å; D17-R19 VanDerWaalsContact O-N 3.12Å; D17-R19 WeakPolarHBondContact OD1-CB 3.49Å; D17-R19 WeakPolarHBondContact OD1-CD 3.37Å; D17-R19 WeakPolarHBondContact OD1-CG 3.49Å; D17-R19 PolarHBondContact OD1-N 3.22Å; D17-C20 WeakPolarHBondContact O-CB 3.35Å; D17-C20 PolarHBondContact O-N 3.3Å; D17-Y94 HydrophobicContact CB-CD1 3.87Å; D17-Y94 HydrophobicContact CB-CE1 4.22Å; D17-Y94 VanDerWaalsContact OD2-CE1 3.27Å; D17-Y94 WeakPolarHBondContact OD2-CE1 3.26Å
18P86.2Confident92.7Very high87 Ų8760.3 Ų60.357%0.56530%0.303SS*.G310 helixtrans-61.6-21.9178.325.4-34.3000113.2C20 R21P18-C20 PolarHBondContact O-N 3.39Å; P18-R21 PolarHBondContact O-N 3.2Å
19R87.4Confident92.6Very high152 Ų15259 Ų5957%0.57430%0.297SS*.G310 helixtrans-62-22.6175.8-61.2169.4-178.9-178.41.7112.7D17 R21 L22 N89 Y94D17-R19 PolarHBondContact O-N 3.37Å; D17-R19 VanDerWaalsContact O-N 3.12Å; D17-R19 WeakPolarHBondContact OD1-CB 3.49Å; D17-R19 WeakPolarHBondContact OD1-CD 3.37Å; D17-R19 WeakPolarHBondContact OD1-CG 3.49Å; D17-R19 PolarHBondContact OD1-N 3.22Å; R19-R21 PolarHBondContact O-N 3.38Å; R19-L22 HydrophobicContact CB-CD1 4.22Å; R19-L22 HydrophobicContact CG-CD1 4.11Å; R19-L22 PolarHBondContact O-N 3.14Å; R19-N89 PolarHBondContact O-ND2 2.98Å; R19-Y94 HydrophobicContact CB-CE1 3.91Å
20C88.6Confident92.5Very high1 Ų160.3 Ų60.31%0.00731%0.306CS..G310 helixtrans-51.3-39.7173.5-175.40000112.4S15 D17 P18 Y94S15-C20 WeakPolarHBondContact OG-CB 3.27Å; S15-C20 PolarHBondContact OG-SG 3.11Å; D17-C20 WeakPolarHBondContact O-CB 3.35Å; D17-C20 PolarHBondContact O-N 3.3Å; P18-C20 PolarHBondContact O-N 3.39Å; C20-Y94 HydrophobicContact CB-CD1 4.32Å; C20-Y94 HydrophobicContact CB-CG 3.89Å; C20-Y94 VanDerWaalsContact SG-CB 3.52Å
21R88.5Confident92.4Very high37 Ų3762.8 Ų62.814%0.1432%0.324CS..THydrogen-bonded Turntrans-99.8-11-171.8-57.6-170.1-68.2-100.1-5.6114.6L13 P18 R19 S23 L24 A60 Y61L13-R21 HydrophobicContact CD2-CG 3.78Å; L13-R21 HydrophobicContact CG-CG 4.32Å; L13-R21 PolarHBondContact O-NH1 3.01Å; P18-R21 PolarHBondContact O-N 3.2Å; R19-R21 PolarHBondContact O-N 3.38Å; R21-S23 VanDerWaalsContact C-N 3.25Å; R21-S23 PolarHBondContact O-N 2.93Å; R21-S23 VanDerWaalsContact O-N 3.16Å; R21-L24 WeakPolarHBondContact O-CB 3.29Å; R21-L24 PolarHBondContact O-N 3.23Å; R21-A60 HydrophobicContact CB-CB 4.4Å; R21-A60 VanDerWaalsContact CB-O 3.24Å; R21-A60 WeakPolarHBondContact CB-O 3.44Å; R21-A60 WeakPolarHBondContact CD-O 3.36Å; R21-A60 PolarHBondContact NE-O 3.41Å; R21-A60 WeakPolarHBondContact O-CB 3.35Å; R21-Y61 PolarHBondContact NH2-O 3.36Å; R21-Y61 VanDerWaalsContact NH2-O 3.17Å
22L85.3Confident92.3Very high136 Ų13664.6 Ų64.671%0.71233%0.333SS*.THydrogen-bonded Turntrans-60.5-28.6-172-71.9176000114.8R19R19-L22 HydrophobicContact CB-CD1 4.22Å; R19-L22 HydrophobicContact CG-CD1 4.11Å; R19-L22 PolarHBondContact O-N 3.14Å
23S82.3Confident92.3Very high55 Ų5562.5 Ų62.539%0.38532%0.324SS..THydrogen-bonded Turntrans-105.23.6178.761.90000113.2R21 D25 N89R21-S23 VanDerWaalsContact C-N 3.25Å; R21-S23 PolarHBondContact O-N 2.93Å; R21-S23 VanDerWaalsContact O-N 3.16Å; S23-D25 PolarHBondContact O-N 3.42Å; S23-N89 WeakPolarHBondContact CB-OD1 3.49Å; S23-N89 WeakPolarHBondContact OG-CB 3.43Å; S23-N89 PolarHBondContact OG-ND2 2.87Å; S23-N89 PolarHBondContact OG-OD1 2.75Å; S23-N89 VanDerWaalsContact OG-OD1 3.09Å
24L90.3Very high92.4Very high16 Ų1666.2 Ų66.28%0.08434%0.338CS..  trans-76.4115.4-175.9-167.768000109L13 R21 V28 L29 L58 L87L13-L24 HydrophobicContact CD2-CD2 3.39Å; R21-L24 WeakPolarHBondContact O-CB 3.29Å; R21-L24 PolarHBondContact O-N 3.23Å; L24-V28 HydrophobicContact CD1-CG1 4.09Å; L24-L29 HydrophobicContact CD1-CB 4.05Å; L24-L29 HydrophobicContact CG-CB 4.34Å; L24-L58 HydrophobicContact CB-CD2 4.48Å; L24-L58 HydrophobicContact CD2-CD1 3.95Å; L24-L58 HydrophobicContact CD2-CD2 4.35Å; L24-L58 HydrophobicContact CG-CD1 4.48Å; L24-L58 HydrophobicContact CG-CD2 3.99Å; L24-L58 WeakPolarHBondContact O-CD2 3.33Å; L24-L87 HydrophobicContact CD1-CD1 4.19Å; L24-L87 HydrophobicContact CD1-CD2 4.43Å; L24-L87 HydrophobicContact CD2-CD1 4.23Å
25D93Very high92.5Very high72 Ų7269.2 Ų69.239%0.38535%0.353SS..  trans-116.2173.1172.175.50.1000110.8S23 R27 V28 L29S23-D25 PolarHBondContact O-N 3.42Å; D25-R27 PolarHBondContact O-N 3.36Å; D25-R27 PolarHBondContact OD1-N 2.76Å; D25-R27 VanDerWaalsContact OD1-N 3.15Å; D25-V28 VanDerWaalsContact OD1-CB 3.23Å; D25-V28 WeakPolarHBondContact OD1-CB 3.47Å; D25-V28 WeakPolarHBondContact OD1-CG2 3.42Å; D25-V28 PolarHBondContact OD1-N 3.07Å; D25-L29 VanDerWaalsContact O-CB 3.23Å; D25-L29 WeakPolarHBondContact O-CB 3.43Å; D25-L29 PolarHBondContact O-N 2.77Å
26D95.1Very high92.7Very high83 Ų8368.3 Ų68.344%0.44435%0.346SS..Hα-helixtrans-59.9-31.5-178.3-69.8-9.5000112.9S30 V55 L58D26-S30 WeakPolarHBondContact O-CB 3.36Å; D26-S30 PolarHBondContact O-N 2.87Å; D26-V55 HydrophobicContact CB-CB 4.36Å; D26-V55 HydrophobicContact CB-CG1 4.38Å; D26-L58 WeakPolarHBondContact OD1-CB 3.44Å
27R94.5Very high93Very high211 Ų21160.5 Ų60.580%0.79631%0.305SS*.Hα-helixtrans-75.8-51.1-176.4-68.9-177.2177.4-177.20.9110.9D25 L29 S30 S31D25-R27 PolarHBondContact O-N 3.36Å; D25-R27 PolarHBondContact OD1-N 2.76Å; D25-R27 VanDerWaalsContact OD1-N 3.15Å; R27-L29 VanDerWaalsContact C-N 3.31Å; R27-L29 PolarHBondContact O-N 2.91Å; R27-S30 PolarHBondContact O-N 3.23Å; R27-S31 PolarHBondContact O-N 2.97Å; R27-S31 PolarHBondContact O-OG 3.18Å
28V93.8Very high93.3Very high65 Ų6559.9 Ų59.939%0.39431%0.307SS..Hα-helixtrans-59.8-44.2176.51730000110L24 D25 S31 L32L24-V28 HydrophobicContact CD1-CG1 4.09Å; D25-V28 VanDerWaalsContact OD1-CB 3.23Å; D25-V28 WeakPolarHBondContact OD1-CB 3.47Å; D25-V28 WeakPolarHBondContact OD1-CG2 3.42Å; D25-V28 PolarHBondContact OD1-N 3.07Å; V28-S31 PolarHBondContact O-N 3.45Å; V28-S31 PolarHBondContact O-OG 2.95Å; V28-L32 VanDerWaalsContact O-CB 3.25Å; V28-L32 WeakPolarHBondContact O-CB 3.28Å; V28-L32 PolarHBondContact O-N 3.4Å
29L96Very high93.9Very high0 Ų063 Ų630%031%0.307CS..Hα-helixtrans-65-42.1176.6179.756.8000112L24 D25 R27 L32 V33 V55 L58 V65 F98L24-L29 HydrophobicContact CD1-CB 4.05Å; L24-L29 HydrophobicContact CG-CB 4.34Å; D25-L29 VanDerWaalsContact O-CB 3.23Å; D25-L29 WeakPolarHBondContact O-CB 3.43Å; D25-L29 PolarHBondContact O-N 2.77Å; R27-L29 VanDerWaalsContact C-N 3.31Å; R27-L29 PolarHBondContact O-N 2.91Å; L29-L32 PolarHBondContact O-N 3.07Å; L29-V33 HydrophobicContact CD1-CG2 4.06Å; L29-V33 WeakPolarHBondContact O-CG2 3.37Å; L29-V33 PolarHBondContact O-N 3.3Å; L29-V33 VanDerWaalsContact O-N 3.07Å; L29-V55 HydrophobicContact CB-CG2 4.32Å; L29-V55 HydrophobicContact CD2-CG1 4.04Å; L29-V55 HydrophobicContact CD2-CG2 4.1Å; L29-V55 HydrophobicContact CG-CG2 4Å; L29-L58 HydrophobicContact CD2-CD1 4.1Å; L29-L58 HydrophobicContact CD2-CD2 4.18Å; L29-V65 HydrophobicContact CD2-CB 4.41Å; L29-V65 HydrophobicContact CD2-CG1 3.64Å; L29-V65 HydrophobicContact CD2-CG2 3.82Å; L29-F98 HydrophobicContact CD1-CE1 4.16Å; L29-F98 HydrophobicContact CD1-CZ 3.56Å
30S97Very high94.5Very high27 Ų2758.1 Ų58.119%0.18929%0.294CS..Hα-helixtrans-63.1-44.1177.1174.50000112.1D26 R27 R34D26-S30 WeakPolarHBondContact O-CB 3.36Å; D26-S30 PolarHBondContact O-N 2.87Å; R27-S30 PolarHBondContact O-N 3.23Å; S30-R34 WeakPolarHBondContact O-CB 3.35Å; S30-R34 WeakPolarHBondContact O-CD 3.49Å; S30-R34 WeakPolarHBondContact O-CG 3.44Å; S30-R34 PolarHBondContact O-N 3.34Å; S30-R34 VanDerWaalsContact O-N 3.13Å; S30-R34 PolarHBondContact OG-NE 3.18Å
31S96.4Very high94.9Very high55 Ų5560.6 Ų60.639%0.38531%0.306SS..Hα-helixtrans-64.3-47.9177.556.60000110.7R27 V28 V33 R34 D35R27-S31 PolarHBondContact O-N 2.97Å; R27-S31 PolarHBondContact O-OG 3.18Å; V28-S31 PolarHBondContact O-N 3.45Å; V28-S31 PolarHBondContact O-OG 2.95Å; S31-V33 PolarHBondContact O-N 2.92Å; S31-R34 PolarHBondContact O-N 3.12Å; S31-R34 VanDerWaalsContact O-N 3.08Å; S31-D35 WeakPolarHBondContact O-CB 3.17Å; S31-D35 PolarHBondContact O-N 3.15Å
32L96.5Very high95.4Very high38 Ų3860.4 Ų60.420%0.19932%0.316CS..Hα-helixtrans-55-47.3179.6177.569.7000113.2V28 L29 T36 I84 L87V28-L32 VanDerWaalsContact O-CB 3.25Å; V28-L32 WeakPolarHBondContact O-CB 3.28Å; V28-L32 PolarHBondContact O-N 3.4Å; L29-L32 PolarHBondContact O-N 3.07Å; L32-T36 WeakPolarHBondContact O-CB 3.27Å; L32-T36 PolarHBondContact O-N 3.37Å; L32-T36 PolarHBondContact O-OG1 2.96Å; L32-I84 HydrophobicContact CD1-CG2 4.33Å; L32-I84 HydrophobicContact CD2-CD1 4.26Å; L32-I84 HydrophobicContact CD2-CG2 3.73Å; L32-I84 HydrophobicContact CG-CD1 4.15Å; L32-I84 HydrophobicContact CG-CG1 4.49Å; L32-I84 HydrophobicContact CG-CG2 4.17Å; L32-L87 HydrophobicContact CD2-CD2 3.16Å; L32-L87 HydrophobicContact CG-CD2 4.45Å
33V98Very high96Very high1 Ų160.1 Ų60.11%0.00632%0.319CS..Hα-helixtrans-66.5-41.7179174.70000110.4L29 S31 T36 I37 F53 L67 V77 L81 I84L29-V33 HydrophobicContact CD1-CG2 4.06Å; L29-V33 WeakPolarHBondContact O-CG2 3.37Å; L29-V33 PolarHBondContact O-N 3.3Å; L29-V33 VanDerWaalsContact O-N 3.07Å; S31-V33 PolarHBondContact O-N 2.92Å; V33-T36 PolarHBondContact O-N 3.01Å; V33-I37 HydrophobicContact CG1-CD1 3.83Å; V33-I37 HydrophobicContact CG1-CG1 4.42Å; V33-I37 WeakPolarHBondContact O-CD1 3.5Å; V33-I37 VanDerWaalsContact O-CG1 3.23Å; V33-I37 WeakPolarHBondContact O-CG1 3.41Å; V33-I37 PolarHBondContact O-N 3.19Å; V33-F53 HydrophobicContact CB-CE2 4.45Å; V33-F53 HydrophobicContact CB-CZ 3.75Å; V33-F53 HydrophobicContact CG1-CE1 4.49Å; V33-F53 HydrophobicContact CG1-CE2 3.67Å; V33-F53 HydrophobicContact CG1-CZ 3.46Å; V33-F53 VanDerWaalsContact CG1-CZ 3.46Å; V33-F53 HydrophobicContact CG2-CZ 4.43Å; V33-L67 HydrophobicContact CG1-CD1 4.45Å; V33-L67 HydrophobicContact CG2-CD1 4.34Å; V33-V77 HydrophobicContact CG1-CG1 4.35Å; V33-L81 HydrophobicContact CG1-CD2 3.97Å; V33-L81 HydrophobicContact CG2-CD2 4.06Å; V33-I84 HydrophobicContact CG2-CD1 3.92Å
34R97.9Very high96.7Very high79 Ų7964.1 Ų64.130%0.29833%0.33SS..Hα-helixtrans-64.6-44.1178.4-73.3170.1179.4-85.10.7112.3S30 S31 T36 I37 A38 S50 F53S30-R34 WeakPolarHBondContact O-CB 3.35Å; S30-R34 WeakPolarHBondContact O-CD 3.49Å; S30-R34 WeakPolarHBondContact O-CG 3.44Å; S30-R34 PolarHBondContact O-N 3.34Å; S30-R34 VanDerWaalsContact O-N 3.13Å; S30-R34 PolarHBondContact OG-NE 3.18Å; S31-R34 PolarHBondContact O-N 3.12Å; S31-R34 VanDerWaalsContact O-N 3.08Å; R34-T36 VanDerWaalsContact C-N 3.28Å; R34-T36 PolarHBondContact O-N 3.43Å; R34-I37 PolarHBondContact O-N 3.05Å; R34-A38 PolarHBondContact O-N 3.46Å; R34-S50 VanDerWaalsContact NH1-CA 3.27Å; R34-S50 PolarHBondContact NH1-O 3.39Å; R34-S50 PolarHBondContact NH2-O 3.43Å; R34-S50 VanDerWaalsContact NH2-O 3.17Å; R34-F53 HydrophobicContact CG-CD1 4.14Å; R34-F53 HydrophobicContact CG-CE1 4.13Å; R34-F53 PolarHBondContact NH2-O 3.25Å; R34-F53 VanDerWaalsContact NH2-O 3.12Å
35D97.9Very high97.1Very high100 Ų10063.3 Ų63.354%0.53533%0.326SS..Hα-helixtrans-64.3-37.5177.4-64.8-19.5000110.8S31 A38 R39S31-D35 WeakPolarHBondContact O-CB 3.17Å; S31-D35 PolarHBondContact O-N 3.15Å; D35-A38 PolarHBondContact O-N 3.38Å; D35-R39 WeakPolarHBondContact O-CB 3.13Å; D35-R39 PolarHBondContact O-N 3.35Å
36T98.5Very high97.3Very high1 Ų161.5 Ų61.51%0.00632%0.321CS..Hα-helixtrans-69-40.2175.2-59.50000112L32 V33 R34 A38 R39 V40 A80 F83 I84L32-T36 WeakPolarHBondContact O-CB 3.27Å; L32-T36 PolarHBondContact O-N 3.37Å; L32-T36 PolarHBondContact O-OG1 2.96Å; V33-T36 PolarHBondContact O-N 3.01Å; R34-T36 VanDerWaalsContact C-N 3.28Å; R34-T36 PolarHBondContact O-N 3.43Å; T36-A38 VanDerWaalsContact C-N 3.33Å; T36-A38 PolarHBondContact O-N 3.18Å; T36-R39 VanDerWaalsContact CG2-NH2 3.3Å; T36-R39 PolarHBondContact O-N 3.23Å; T36-R39 PolarHBondContact OG1-NH2 3.37Å; T36-R39 VanDerWaalsContact OG1-NH2 3.15Å; T36-V40 HydrophobicContact CG2-CG2 4.28Å; T36-V40 VanDerWaalsContact O-CG2 3.31Å; T36-V40 WeakPolarHBondContact O-CG2 3.44Å; T36-V40 PolarHBondContact O-N 3.36Å; T36-A80 HydrophobicContact CG2-CB 4.25Å; T36-A80 WeakPolarHBondContact CG2-O 3.14Å; T36-F83 HydrophobicContact CG2-CB 3.94Å; T36-I84 HydrophobicContact CG2-CG1 3.86Å
37I98.6Very high97.5Very high1 Ų160.4 Ų60.41%0.00532%0.323CS..Hα-helixtrans-60.6-44.6172.5-68.7160.7000110.4V33 R34 R39 V40 H41 G45 C49 V77 A80V33-I37 HydrophobicContact CG1-CD1 3.83Å; V33-I37 HydrophobicContact CG1-CG1 4.42Å; V33-I37 WeakPolarHBondContact O-CD1 3.5Å; V33-I37 VanDerWaalsContact O-CG1 3.23Å; V33-I37 WeakPolarHBondContact O-CG1 3.41Å; V33-I37 PolarHBondContact O-N 3.19Å; R34-I37 PolarHBondContact O-N 3.05Å; I37-R39 VanDerWaalsContact C-N 3.31Å; I37-R39 PolarHBondContact O-N 3Å; I37-V40 PolarHBondContact O-N 2.8Å; I37-H41 WeakPolarHBondContact O-CB 3.4Å; I37-H41 PolarHBondContact O-N 3.47Å; I37-G45 VanDerWaalsContact CG2-C 3.47Å; I37-G45 WeakPolarHBondContact CG2-O 3.27Å; I37-C49 HydrophobicContact CD1-CB 4.02Å; I37-C49 HydrophobicContact CG2-CB 4.16Å; I37-V77 HydrophobicContact CD1-CB 4.33Å; I37-V77 HydrophobicContact CD1-CG1 4.31Å; I37-V77 HydrophobicContact CD1-CG2 3.93Å; I37-A80 HydrophobicContact CB-CB 4.38Å; I37-A80 HydrophobicContact CG1-CB 3.62Å
38A98.6Very high97.5Very high40 Ų4051 Ų5133%0.33129%0.291SS..Hα-helixtrans-62.2-39.5177.500000111.8R34 D35 T36 G42 A46R34-A38 PolarHBondContact O-N 3.46Å; D35-A38 PolarHBondContact O-N 3.38Å; T36-A38 VanDerWaalsContact C-N 3.33Å; T36-A38 PolarHBondContact O-N 3.18Å; A38-G42 WeakPolarHBondContact O-CA 3.45Å; A38-G42 PolarHBondContact O-N 3.07Å; A38-A46 HydrophobicContact CB-CB 3.84Å
39R98.5Very high97.7Very high152 Ų15248.2 Ų48.257%0.57427%0.274SS*.Hα-helixtrans-65.6-41.2176.7-177.4173.465.3-110.13.9112.8D35 T36 I37 F83D35-R39 WeakPolarHBondContact O-CB 3.13Å; D35-R39 PolarHBondContact O-N 3.35Å; T36-R39 VanDerWaalsContact CG2-NH2 3.3Å; T36-R39 PolarHBondContact O-N 3.23Å; T36-R39 PolarHBondContact OG1-NH2 3.37Å; T36-R39 VanDerWaalsContact OG1-NH2 3.15Å; I37-R39 VanDerWaalsContact C-N 3.31Å; I37-R39 PolarHBondContact O-N 3Å; R39-F83 PolarHBondContact NH2-O 3.49Å
40V98.6Very high97.7Very high51 Ų5150.5 Ų50.531%0.30929%0.29SS..Hα-helixtrans-85-40.8-174.4177.20000112.2T36 I37 F83T36-V40 HydrophobicContact CG2-CG2 4.28Å; T36-V40 VanDerWaalsContact O-CG2 3.31Å; T36-V40 WeakPolarHBondContact O-CG2 3.44Å; T36-V40 PolarHBondContact O-N 3.36Å; I37-V40 PolarHBondContact O-N 2.8Å; V40-F83 HydrophobicContact CG1-CD2 4.29Å; V40-F83 HydrophobicContact CG1-CE2 4.16Å; V40-F83 HydrophobicContact CG2-CB 3.96Å; V40-F83 HydrophobicContact CG2-CD1 4.48Å; V40-F83 HydrophobicContact CG2-CD2 3.69Å; V40-F83 HydrophobicContact CG2-CE2 4.3Å; V40-F83 HydrophobicContact CG2-CG 3.8Å
41H98.6Very high97.5Very high52 Ų5254.4 Ų54.424%0.24131%0.308CS..Hα-helixtrans-116.17.3-170.4-63-64.9000113.6I37 G45 L76 S79I37-H41 WeakPolarHBondContact O-CB 3.4Å; I37-H41 PolarHBondContact O-N 3.47Å; H41-G45 PolarHBondContact O-N 3.38Å; H41-G45 VanDerWaalsContact O-N 3.13Å; H41-L76 PolarHBondContact CD2-O 3.45Å; H41-L76 PolarHBondContact NE2-O 3.46Å; H41-L76 VanDerWaalsContact NE2-O 3.14Å; H41-S79 PolarHBondContact CE1-OG 2.85Å; H41-S79 PolarHBondContact NE2-OG 3.3Å
42G98.3Very high97.3Very high34 Ų3452.9 Ų52.935%0.35130%0.301SS..Hα-helixtrans65.3-161.9178.600000114.1A38 F44 G45 A46A38-G42 WeakPolarHBondContact O-CA 3.45Å; A38-G42 PolarHBondContact O-N 3.07Å; G42-F44 VanDerWaalsContact C-N 3.29Å; G42-F44 PolarHBondContact O-N 3.28Å; G42-G45 PolarHBondContact O-N 3.09Å; G42-A46 PolarHBondContact O-N 3.46Å
43T97.8Very high97.4Very high129 Ų12951.6 Ų51.679%0.79129%0.294SS*.Hα-helixtrans-61.8-36.5-179.854.50000112.5A47T43-A47 VanDerWaalsContact O-CB 3.32Å; T43-A47 WeakPolarHBondContact O-CB 3.33Å; T43-A47 PolarHBondContact O-N 3.04Å
44F97.9Very high97.4Very high139 Ų13952.5 Ų52.561%0.6130%0.301SS*.Hα-helixtrans-60.2-52.5175.1172.2-99.9000111.2G42 A46 A47 A48 F73 L76G42-F44 VanDerWaalsContact C-N 3.29Å; G42-F44 PolarHBondContact O-N 3.28Å; F44-A46 VanDerWaalsContact C-N 3.35Å; F44-A46 PolarHBondContact O-N 3.5Å; F44-A47 PolarHBondContact O-N 3.26Å; F44-A48 HydrophobicContact CZ-CB 4.42Å; F44-A48 WeakPolarHBondContact O-CB 3.3Å; F44-A48 PolarHBondContact O-N 3.09Å; F44-F73 HydrophobicContact CZ-CE1 4.47Å; F44-L76 HydrophobicContact CE1-CD1 4.09Å
45G97.7Very high97.4Very high0 Ų049.6 Ų49.60%029%0.293CS..Hα-helixtrans-62.5-42.9179.900000112.5I37 H41 G42 A47 C49I37-G45 VanDerWaalsContact CG2-C 3.47Å; I37-G45 WeakPolarHBondContact CG2-O 3.27Å; H41-G45 PolarHBondContact O-N 3.38Å; H41-G45 VanDerWaalsContact O-N 3.13Å; G42-G45 PolarHBondContact O-N 3.09Å; G45-A47 PolarHBondContact O-N 3.37Å; G45-C49 VanDerWaalsContact O-CB 3.27Å; G45-C49 WeakPolarHBondContact O-CB 3.49Å; G45-C49 PolarHBondContact O-N 3.14Å; G45-C49 PolarHBondContact O-SG 2.96Å
46A97.9Very high97.4Very high34 Ų3450.6 Ų50.628%0.28129%0.289SS..Hα-helixtrans-56.9-50.4175.600000111.4A38 G42 F44 S50A38-A46 HydrophobicContact CB-CB 3.84Å; G42-A46 PolarHBondContact O-N 3.46Å; F44-A46 VanDerWaalsContact C-N 3.35Å; F44-A46 PolarHBondContact O-N 3.5Å; A46-S50 WeakPolarHBondContact O-CA 3.49Å; A46-S50 VanDerWaalsContact O-CB 3.23Å; A46-S50 WeakPolarHBondContact O-CB 3.36Å; A46-S50 PolarHBondContact O-N 2.82Å
47A97.8Very high97.3Very high59 Ų5955.2 Ų55.249%0.48831%0.307SS..Hα-helixtrans-67.2-47.7-179.600000112.2T43 F44 G45 C49 S50T43-A47 VanDerWaalsContact O-CB 3.32Å; T43-A47 WeakPolarHBondContact O-CB 3.33Å; T43-A47 PolarHBondContact O-N 3.04Å; F44-A47 PolarHBondContact O-N 3.26Å; G45-A47 PolarHBondContact O-N 3.37Å; A47-C49 VanDerWaalsContact C-N 3.31Å; A47-C49 PolarHBondContact O-N 3.08Å; A47-S50 WeakPolarHBondContact O-CB 3.24Å; A47-S50 PolarHBondContact O-N 3.12Å; A47-S50 VanDerWaalsContact O-N 3.1Å; A47-S50 PolarHBondContact O-OG 3.11Å
48A96.4Very high97.3Very high15 Ų1556.6 Ų56.612%0.12431%0.314CS..Hα-helixtrans-61-40.1-178.900000112.2F44 F73 L76F44-A48 HydrophobicContact CZ-CB 4.42Å; F44-A48 WeakPolarHBondContact O-CB 3.3Å; F44-A48 PolarHBondContact O-N 3.09Å; A48-F73 HydrophobicContact CB-CD1 3.81Å; A48-F73 HydrophobicContact CB-CD2 4.08Å; A48-F73 HydrophobicContact CB-CE1 3.96Å; A48-F73 HydrophobicContact CB-CE2 4.23Å; A48-F73 HydrophobicContact CB-CG 3.88Å; A48-F73 HydrophobicContact CB-CZ 4.17Å; A48-F73 VanDerWaalsContact O-CD2 3.29Å; A48-F73 WeakPolarHBondContact O-CD2 3.45Å; A48-L76 HydrophobicContact CB-CD1 4.4Å
49C96.8Very high97.1Very high6 Ų657 Ų574%0.04131%0.31CS..Hα-helixtrans-81.8-17.6177.5-60.80000112.8I37 G45 A47 I51 F53 V77I37-C49 HydrophobicContact CD1-CB 4.02Å; I37-C49 HydrophobicContact CG2-CB 4.16Å; G45-C49 VanDerWaalsContact O-CB 3.27Å; G45-C49 WeakPolarHBondContact O-CB 3.49Å; G45-C49 PolarHBondContact O-N 3.14Å; G45-C49 PolarHBondContact O-SG 2.96Å; A47-C49 VanDerWaalsContact C-N 3.31Å; A47-C49 PolarHBondContact O-N 3.08Å; C49-I51 VanDerWaalsContact C-N 3.31Å; C49-I51 PolarHBondContact O-N 3.28Å; C49-F53 WeakPolarHBondContact O-CB 3.42Å; C49-V77 HydrophobicContact CB-CG2 4.04Å
50S95.4Very high96.8Very high48 Ų4851.5 Ų51.534%0.33630%0.298SS..Hα-helixtrans-61.3-40.9-172.167.70000113.1R34 A46 A47R34-S50 VanDerWaalsContact NH1-CA 3.27Å; R34-S50 PolarHBondContact NH1-O 3.39Å; R34-S50 PolarHBondContact NH2-O 3.43Å; R34-S50 VanDerWaalsContact NH2-O 3.17Å; A46-S50 WeakPolarHBondContact O-CA 3.49Å; A46-S50 VanDerWaalsContact O-CB 3.23Å; A46-S50 WeakPolarHBondContact O-CB 3.36Å; A46-S50 PolarHBondContact O-N 2.82Å; A47-S50 WeakPolarHBondContact O-CB 3.24Å; A47-S50 PolarHBondContact O-N 3.12Å; A47-S50 VanDerWaalsContact O-N 3.1Å; A47-S50 PolarHBondContact O-OG 3.11Å
51I92.8Very high96.4Very high108 Ų10858.7 Ų58.755%0.55432%0.321SS*.THydrogen-bonded Turntrans-78.6121.2-176.7-61.3170.8000109.6C49 F53 R70C49-I51 VanDerWaalsContact C-N 3.31Å; C49-I51 PolarHBondContact O-N 3.28Å; I51-F53 PolarHBondContact O-N 3.41Å; I51-R70 WeakPolarHBondContact O-CG 3.42Å
52G92.8Very high96.1Very high24 Ų2458.8 Ų58.825%0.24733%0.325CS..THydrogen-bonded Turntrans81.1-6.6177.100000114.8A54 R68G52-A54 PolarHBondContact O-N 3.2Å; G52-R68 PolarHBondContact O-NE 2.86Å; G52-R68 VanDerWaalsContact O-NE 3.08Å; G52-R68 PolarHBondContact O-NH2 3.24Å
53F97.8Very high96Very high10 Ų1057.2 Ų57.24%0.04431%0.308CS..  trans-67129.2171.4178.6-88000111.4V33 R34 C49 I51 L67 R68 C69 V77V33-F53 HydrophobicContact CB-CE2 4.45Å; V33-F53 HydrophobicContact CB-CZ 3.75Å; V33-F53 HydrophobicContact CG1-CE1 4.49Å; V33-F53 HydrophobicContact CG1-CE2 3.67Å; V33-F53 HydrophobicContact CG1-CZ 3.46Å; V33-F53 VanDerWaalsContact CG1-CZ 3.46Å; V33-F53 HydrophobicContact CG2-CZ 4.43Å; R34-F53 HydrophobicContact CG-CD1 4.14Å; R34-F53 HydrophobicContact CG-CE1 4.13Å; R34-F53 PolarHBondContact NH2-O 3.25Å; R34-F53 VanDerWaalsContact NH2-O 3.12Å; C49-F53 WeakPolarHBondContact O-CB 3.42Å; I51-F53 PolarHBondContact O-N 3.41Å; F53-L67 HydrophobicContact CE2-CB 4.37Å; F53-L67 HydrophobicContact CE2-CD1 4.42Å; F53-L67 HydrophobicContact CE2-CD2 4.49Å; F53-L67 HydrophobicContact CZ-CD2 4.18Å; F53-R68 WeakPolarHBondContact CA-O 3.47Å; F53-C69 HydrophobicContact CD2-CB 4.37Å; F53-V77 HydrophobicContact CD2-CG1 4.37Å; F53-V77 HydrophobicContact CD2-CG2 4.34Å; F53-V77 HydrophobicContact CE2-CG1 3.96Å
54A98Very high96Very high20 Ų2051.2 Ų51.217%0.16527%0.272CS..EExtended strand (participates in β ladder)trans-155.8140.5176.100000110.7G52 R68G52-A54 PolarHBondContact O-N 3.2Å; A54-R68 PolarHBondContact N-O 3.05Å; A54-R68 PolarHBondContact O-N 3.09Å
55V98.3Very high96Very high19 Ų1944.6 Ų44.612%0.11524%0.242CC..EExtended strand (participates in β ladder)trans-71.5127.4159.4-176.70000106.9D26 L29 L58 L67D26-V55 HydrophobicContact CB-CB 4.36Å; D26-V55 HydrophobicContact CB-CG1 4.38Å; L29-V55 HydrophobicContact CB-CG2 4.32Å; L29-V55 HydrophobicContact CD2-CG1 4.04Å; L29-V55 HydrophobicContact CD2-CG2 4.1Å; L29-V55 HydrophobicContact CG-CG2 4Å; V55-L58 HydrophobicContact CG1-CB 4.3Å; V55-L67 HydrophobicContact CB-CD2 4.48Å; V55-L67 HydrophobicContact CG2-CD2 3.83Å
56R97.9Very high96Very high121 Ų12145 Ų4546%0.45725%0.245SC..EExtended strand (participates in β ladder)trans-110.6-22.1-177-75.1-70.8175.4170.7-13.8113.1Y8 L66 R68Y8-R56 HydrophobicContact CE1-CG 4.35Å; R56-L66 HydrophobicContact CB-CB 4.43Å; R56-L66 HydrophobicContact CB-CD2 4.22Å; R56-L66 HydrophobicContact CB-CG 4.39Å; R56-L66 PolarHBondContact N-O 2.91Å; R56-R68 HydrophobicContact CG-CB 3.88Å; R56-R68 VanDerWaalsContact NH2-NH2 3.19Å
57Y98Very high96.1Very high98 Ų9843.4 Ų43.438%0.38423%0.232SC..EExtended strand (participates in β ladder)trans-158.1137.5176.9177.1-106000107.7N59 I64 V65 L66Y57-N59 HydrophobicContact CE1-CB 3.85Å; Y57-N59 WeakPolarHBondContact OH-CB 3Å; Y57-N59 PolarHBondContact OH-ND2 3Å; Y57-I64 HydrophobicContact CD1-CG2 4.1Å; Y57-I64 HydrophobicContact CE1-CB 4.18Å; Y57-I64 HydrophobicContact CE1-CG2 3.83Å; Y57-V65 CarbonylContact O-C 3.46Å; Y57-V65 WeakPolarHBondContact O-CA 3.24Å; Y57-L66 PolarHBondContact O-N 2.97Å
58L96.9Very high96.1Very high30 Ų3042.9 Ų42.916%0.15722%0.217CC..EExtended strand (participates in β ladder)trans-140.7126.3171167.960.6000107L24 D26 L29 V55 I64 V65L24-L58 HydrophobicContact CB-CD2 4.48Å; L24-L58 HydrophobicContact CD2-CD1 3.95Å; L24-L58 HydrophobicContact CD2-CD2 4.35Å; L24-L58 HydrophobicContact CG-CD1 4.48Å; L24-L58 HydrophobicContact CG-CD2 3.99Å; L24-L58 WeakPolarHBondContact O-CD2 3.33Å; D26-L58 WeakPolarHBondContact OD1-CB 3.44Å; L29-L58 HydrophobicContact CD2-CD1 4.1Å; L29-L58 HydrophobicContact CD2-CD2 4.18Å; V55-L58 HydrophobicContact CG1-CB 4.3Å; L58-I64 WeakPolarHBondContact CA-O 3.4Å; L58-V65 HydrophobicContact CD1-CG2 3.75Å
59N94.7Very high96.2Very high47 Ų4742.2 Ų42.225%0.25121%0.211SC..EExtended strand (participates in β ladder)trans-117.1102.8167.8-176.3-32.4000107.9Y57 Y61 T62 G63 I64Y57-N59 HydrophobicContact CE1-CB 3.85Å; Y57-N59 WeakPolarHBondContact OH-CB 3Å; Y57-N59 PolarHBondContact OH-ND2 3Å; N59-Y61 PolarHBondContact O-N 3.4Å; N59-Y61 WeakPolarHBondContact OD1-CA 3.29Å; N59-Y61 VanDerWaalsContact OD1-CB 3.27Å; N59-Y61 WeakPolarHBondContact OD1-CB 3.45Å; N59-Y61 PolarHBondContact OD1-N 2.91Å; N59-T62 WeakPolarHBondContact CB-OG1 3.49Å; N59-T62 PolarHBondContact OD1-N 3.33Å; N59-T62 VanDerWaalsContact OD1-N 3.12Å; N59-T62 PolarHBondContact OD1-OG1 3.29Å; N59-G63 CarbonylContact O-C 3.53Å; N59-G63 VanDerWaalsContact O-CA 3.24Å; N59-G63 WeakPolarHBondContact O-CA 3.46Å; N59-G63 PolarHBondContact O-N 3.12Å; N59-I64 PolarHBondContact N-O 3.16Å; N59-I64 PolarHBondContact O-N 3.1Å
60A92.3Very high96.2Very high37 Ų3744 Ų4431%0.30622%0.217SC..THydrogen-bonded Turntrans-63.2-27.8-17900000112.9R21R21-A60 HydrophobicContact CB-CB 4.4Å; R21-A60 VanDerWaalsContact CB-O 3.24Å; R21-A60 WeakPolarHBondContact CB-O 3.44Å; R21-A60 WeakPolarHBondContact CD-O 3.36Å; R21-A60 PolarHBondContact NE-O 3.41Å; R21-A60 WeakPolarHBondContact O-CB 3.35Å
61Y90.7Very high96.3Very high203 Ų20346.3 Ų46.380%0.79622%0.221SC*.THydrogen-bonded Turntrans-68.8-55.3179.8-175.9-100.5000111R21 N59R21-Y61 PolarHBondContact NH2-O 3.36Å; R21-Y61 VanDerWaalsContact NH2-O 3.17Å; N59-Y61 PolarHBondContact O-N 3.4Å; N59-Y61 WeakPolarHBondContact OD1-CA 3.29Å; N59-Y61 VanDerWaalsContact OD1-CB 3.27Å; N59-Y61 WeakPolarHBondContact OD1-CB 3.45Å; N59-Y61 PolarHBondContact OD1-N 2.91Å
62T92.6Very high96.4Very high54 Ų5447 Ų4733%0.33122%0.222SC..THydrogen-bonded Turntrans-83.4-13.3179.5580000113.8N59 I64N59-T62 WeakPolarHBondContact CB-OG1 3.49Å; N59-T62 PolarHBondContact OD1-N 3.33Å; N59-T62 VanDerWaalsContact OD1-N 3.12Å; N59-T62 PolarHBondContact OD1-OG1 3.29Å; T62-I64 PolarHBondContact O-N 3.25Å; T62-I64 VanDerWaalsContact OG1-CG1 3.32Å; T62-I64 WeakPolarHBondContact OG1-CG1 3.44Å; T62-I64 PolarHBondContact OG1-N 3.04Å
63G95.2Very high96.6Very high0 Ų048.2 Ų48.20%022%0.221CC..THydrogen-bonded Turntrans73.87.7-172.400000114.1E12 L13 N59E12-G63 CarbonylContact C-O 3.57Å; E12-G63 WeakPolarHBondContact CA-O 3.35Å; L13-G63 PolarHBondContact N-O 3.17Å; N59-G63 CarbonylContact O-C 3.53Å; N59-G63 VanDerWaalsContact O-CA 3.24Å; N59-G63 WeakPolarHBondContact O-CA 3.46Å; N59-G63 PolarHBondContact O-N 3.12Å
64I97.7Very high96.6Very high3 Ų350 Ų502%0.01523%0.227CC..EExtended strand (participates in β ladder)trans-73.7132.3-178.7-60.6-65.2000110.7L10 C11 E12 Y57 L58 N59 T62 L101 L114L10-I64 HydrophobicContact CD1-CG2 3.7Å; C11-I64 WeakPolarHBondContact O-CA 3.43Å; E12-I64 HydrophobicContact CB-CD1 4.13Å; E12-I64 HydrophobicContact CG-CD1 4.38Å; Y57-I64 HydrophobicContact CD1-CG2 4.1Å; Y57-I64 HydrophobicContact CE1-CB 4.18Å; Y57-I64 HydrophobicContact CE1-CG2 3.83Å; L58-I64 WeakPolarHBondContact CA-O 3.4Å; N59-I64 PolarHBondContact N-O 3.16Å; N59-I64 PolarHBondContact O-N 3.1Å; T62-I64 PolarHBondContact O-N 3.25Å; T62-I64 VanDerWaalsContact OG1-CG1 3.32Å; T62-I64 WeakPolarHBondContact OG1-CG1 3.44Å; T62-I64 PolarHBondContact OG1-N 3.04Å; I64-L101 HydrophobicContact CD1-CD1 3.79Å; I64-L114 HydrophobicContact CD1-CD1 3.89Å; I64-L114 HydrophobicContact CG1-CD1 4.07Å; I64-L114 HydrophobicContact CG2-CD1 3.9Å; I64-L114 HydrophobicContact CG2-CD2 3.85Å
65V98.4Very high96.6Very high0 Ų054.7 Ų54.70%025%0.246CC..EExtended strand (participates in β ladder)trans-129.9136.8-178.5177.10000109.8L10 C11 L29 Y57 L58 L67 F98L10-V65 WeakPolarHBondContact CA-O 3.41Å; C11-V65 HydrophobicContact CB-CB 4.48Å; C11-V65 PolarHBondContact N-O 3.17Å; C11-V65 PolarHBondContact O-N 3.42Å; L29-V65 HydrophobicContact CD2-CB 4.41Å; L29-V65 HydrophobicContact CD2-CG1 3.64Å; L29-V65 HydrophobicContact CD2-CG2 3.82Å; Y57-V65 CarbonylContact O-C 3.46Å; Y57-V65 WeakPolarHBondContact O-CA 3.24Å; L58-V65 HydrophobicContact CD1-CG2 3.75Å; V65-L67 HydrophobicContact CG1-CD2 3.5Å; V65-L67 HydrophobicContact CG1-CG 3.75Å; V65-F98 HydrophobicContact CB-CE1 4.44Å; V65-F98 HydrophobicContact CG2-CE1 4.15Å
66L98.6Very high96.6Very high10 Ų1055.4 Ų55.45%0.05225%0.249CC..EExtended strand (participates in β ladder)trans-118110.7169.3-16767.1000110.5Y8 L9 L10 R56 Y57 I107 C110Y8-L66 HydrophobicContact CD1-CD2 4.36Å; Y8-L66 HydrophobicContact CD1-CG 4.36Å; L9-L66 WeakPolarHBondContact O-CA 3.32Å; L10-L66 HydrophobicContact CB-CD1 3.97Å; L10-L66 HydrophobicContact CD1-CD1 4.08Å; R56-L66 HydrophobicContact CB-CB 4.43Å; R56-L66 HydrophobicContact CB-CD2 4.22Å; R56-L66 HydrophobicContact CB-CG 4.39Å; R56-L66 PolarHBondContact N-O 2.91Å; Y57-L66 PolarHBondContact O-N 2.97Å; L66-I107 HydrophobicContact CD2-CG1 4.22Å; L66-I107 HydrophobicContact CD2-CG2 4.05Å; L66-C110 HydrophobicContact CD1-CB 3.73Å
67L98.7Very high96.6Very high0 Ų049.6 Ų49.60%023%0.227CC..EExtended strand (participates in β ladder)trans-100.8129.6177.4-53.9177.6000110.1Y8 L9 V33 F53 V55 V65 V77 L81Y8-L67 CarbonylContact C-O 3.16Å; Y8-L67 WeakPolarHBondContact CA-O 3.21Å; L9-L67 HydrophobicContact CB-CB 4.34Å; L9-L67 PolarHBondContact N-O 3.3Å; L9-L67 PolarHBondContact O-N 2.94Å; V33-L67 HydrophobicContact CG1-CD1 4.45Å; V33-L67 HydrophobicContact CG2-CD1 4.34Å; F53-L67 HydrophobicContact CE2-CB 4.37Å; F53-L67 HydrophobicContact CE2-CD1 4.42Å; F53-L67 HydrophobicContact CE2-CD2 4.49Å; F53-L67 HydrophobicContact CZ-CD2 4.18Å; V55-L67 HydrophobicContact CB-CD2 4.48Å; V55-L67 HydrophobicContact CG2-CD2 3.83Å; V65-L67 HydrophobicContact CG1-CD2 3.5Å; V65-L67 HydrophobicContact CG1-CG 3.75Å; L67-V77 HydrophobicContact CD1-CG1 4.48Å; L67-L81 HydrophobicContact CD1-CD1 4.1Å; L67-L81 HydrophobicContact CD1-CD2 3.77Å
68R98.4Very high96.7Very high47 Ų4750.1 Ų50.118%0.17723%0.228CC..EExtended strand (participates in β ladder)trans-97.7142.3168.9-175-173.568.3170.6-3.4109.6H6 R7 Y8 G52 F53 A54 R56H6-R68 HydrophobicContact CB-CG 4.11Å; R7-R68 WeakPolarHBondContact O-CA 3.44Å; Y8-R68 HydrophobicContact CD1-CB 3.92Å; Y8-R68 HydrophobicContact CD1-CG 4.12Å; Y8-R68 HydrophobicContact CE1-CB 3.75Å; Y8-R68 HydrophobicContact CE1-CG 3.63Å; G52-R68 PolarHBondContact O-NE 2.86Å; G52-R68 VanDerWaalsContact O-NE 3.08Å; G52-R68 PolarHBondContact O-NH2 3.24Å; F53-R68 WeakPolarHBondContact CA-O 3.47Å; A54-R68 PolarHBondContact N-O 3.05Å; A54-R68 PolarHBondContact O-N 3.09Å; R56-R68 HydrophobicContact CG-CB 3.88Å; R56-R68 VanDerWaalsContact NH2-NH2 3.19Å
69C97.6Very high96.7Very high1 Ų151 Ų511%0.00724%0.237CC..EExtended strand (participates in β ladder)trans-150.1176.6168.358.60000111.3H6 R7 L9 F53 Y74 V77H6-C69 VanDerWaalsContact CA-O 3.27Å; H6-C69 WeakPolarHBondContact CA-O 3.38Å; H6-C69 PolarHBondContact ND1-O 3.19Å; R7-C69 PolarHBondContact N-O 2.97Å; R7-C69 PolarHBondContact O-N 2.85Å; L9-C69 VanDerWaalsContact CD1-SG 3.54Å; F53-C69 HydrophobicContact CD2-CB 4.37Å; C69-Y74 VanDerWaalsContact SG-CA 3.51Å; C69-Y74 WeakPolarHBondContact SG-CB 3.44Å; C69-V77 HydrophobicContact CB-CG2 3.85Å
70R96.7Very high96.9Very high45 Ų4548.9 Ų48.917%0.1723%0.226CC..EExtended strand (participates in β ladder)trans-69.5141173.4-74.2179.367.2159.71110.5I51 E72 F73 Y74I51-R70 WeakPolarHBondContact O-CG 3.42Å; R70-E72 IonicContact CZ-OE2 3.39Å; R70-E72 IonicContact NE-OE2 3.47Å; R70-E72 PolarHBondContact NE-OE2 2.88Å; R70-E72 IonicContact NH2-OE1 3.83Å; R70-E72 IonicContact NH2-OE2 2.68Å; R70-E72 PolarHBondContact NH2-OE2 2.93Å; R70-E72 PolarHBondContact O-N 3.18Å; R70-F73 HydrophobicContact CB-CD2 4.19Å; R70-F73 PolarHBondContact O-N 3.18Å; R70-F73 VanDerWaalsContact O-N 3.14Å; R70-Y74 PolarHBondContact O-N 3.05Å; R70-Y74 VanDerWaalsContact O-N 3.11Å
71K97.2Very high97.2Very high95 Ų9547.1 Ų47.141%0.41321%0.211SC..THydrogen-bonded Turntrans-58-32.1177.9-180-174.9173.1-165.80112.6K5 R7 F73 Y74K5-K71 HydrophobicContact CB-CB 3.88Å; K5-K71 HydrophobicContact CB-CD 4.01Å; K5-K71 HydrophobicContact CD-CD 4.19Å; K5-K71 WeakPolarHBondContact O-CB 3.26Å; K5-K71 PolarHBondContact O-N 2.9Å; R7-K71 HydrophobicContact CG-CB 4.08Å; R7-K71 HydrophobicContact CG-CG 4.05Å; K71-F73 VanDerWaalsContact C-N 3.31Å; K71-F73 PolarHBondContact O-N 3.16Å; K71-Y74 VanDerWaalsContact O-CD1 3.23Å; K71-Y74 WeakPolarHBondContact O-CD1 3.16Å
72E96Very high97.5Very high122 Ų12241 Ų4157%0.5720%0.196SC*.THydrogen-bonded Turntrans-68.5-30-179.5-71.2147.4-160.200112.8R70R70-E72 IonicContact CZ-OE2 3.39Å; R70-E72 IonicContact NE-OE2 3.47Å; R70-E72 PolarHBondContact NE-OE2 2.88Å; R70-E72 IonicContact NH2-OE1 3.83Å; R70-E72 IonicContact NH2-OE2 2.68Å; R70-E72 PolarHBondContact NH2-OE2 2.93Å; R70-E72 PolarHBondContact O-N 3.18Å
73F96.4Very high97.8Very high50 Ų5043.9 Ų43.922%0.21921%0.205CC..THydrogen-bonded Turntrans-119.910-169.7-53.5-62.4000113.4F44 A48 R70 K71 Q75 L76 V77F44-F73 HydrophobicContact CZ-CE1 4.47Å; A48-F73 HydrophobicContact CB-CD1 3.81Å; A48-F73 HydrophobicContact CB-CD2 4.08Å; A48-F73 HydrophobicContact CB-CE1 3.96Å; A48-F73 HydrophobicContact CB-CE2 4.23Å; A48-F73 HydrophobicContact CB-CG 3.88Å; A48-F73 HydrophobicContact CB-CZ 4.17Å; A48-F73 VanDerWaalsContact O-CD2 3.29Å; A48-F73 WeakPolarHBondContact O-CD2 3.45Å; R70-F73 HydrophobicContact CB-CD2 4.19Å; R70-F73 PolarHBondContact O-N 3.18Å; R70-F73 VanDerWaalsContact O-N 3.14Å; K71-F73 VanDerWaalsContact C-N 3.31Å; K71-F73 PolarHBondContact O-N 3.16Å; F73-Q75 PolarHBondContact O-N 2.83Å; F73-L76 HydrophobicContact CB-CD1 4.33Å; F73-L76 HydrophobicContact CD1-CD1 4.17Å; F73-L76 WeakPolarHBondContact O-CB 3.37Å; F73-L76 PolarHBondContact O-N 2.7Å; F73-V77 PolarHBondContact O-N 2.83Å
74Y97.7Very high97.9Very high47 Ų4744 Ų4418%0.18421%0.205CC..Hα-helixtrans-61.9-28.7-176.387.1-79.3000113.3R7 C69 R70 K71 L76 V77 W78 V103R7-Y74 HydrophobicContact CB-CD2 4.47Å; R7-Y74 HydrophobicContact CB-CG 4.04Å; R7-Y74 HydrophobicContact CG-CD1 4.07Å; R7-Y74 HydrophobicContact CG-CD2 4.47Å; R7-Y74 HydrophobicContact CG-CG 3.93Å; C69-Y74 VanDerWaalsContact SG-CA 3.51Å; C69-Y74 WeakPolarHBondContact SG-CB 3.44Å; R70-Y74 PolarHBondContact O-N 3.05Å; R70-Y74 VanDerWaalsContact O-N 3.11Å; K71-Y74 VanDerWaalsContact O-CD1 3.23Å; K71-Y74 WeakPolarHBondContact O-CD1 3.16Å; Y74-L76 VanDerWaalsContact C-N 3.32Å; Y74-V77 PolarHBondContact O-N 2.98Å; Y74-W78 HydrophobicContact CE2-CE3 4.13Å; Y74-W78 WeakPolarHBondContact O-CB 3.23Å; Y74-W78 PolarHBondContact O-N 3.34Å; Y74-V103 HydrophobicContact CD2-CG1 3.85Å; Y74-V103 HydrophobicContact CE2-CG1 3.8Å
75Q98.3Very high97.9Very high119 Ų11947.9 Ų47.956%0.55623%0.229SC*.Hα-helixtrans-68-31176.8-70.5176.3-32.100112.3F73 W78 S79F73-Q75 PolarHBondContact O-N 2.83Å; Q75-W78 PolarHBondContact O-N 3.07Å; Q75-S79 VanDerWaalsContact O-CB 3.28Å; Q75-S79 WeakPolarHBondContact O-CB 3.23Å; Q75-S79 PolarHBondContact O-N 3.11Å; Q75-S79 PolarHBondContact O-OG 3.39Å
76L98.5Very high97.7Very high34 Ų3452.8 Ų52.818%0.17825%0.248CC..Hα-helixtrans-67.8-44174.4-60.9180000110.5H41 F44 A48 F73 Y74 S79 A80H41-L76 PolarHBondContact CD2-O 3.45Å; H41-L76 PolarHBondContact NE2-O 3.46Å; H41-L76 VanDerWaalsContact NE2-O 3.14Å; F44-L76 HydrophobicContact CE1-CD1 4.09Å; A48-L76 HydrophobicContact CB-CD1 4.4Å; F73-L76 HydrophobicContact CB-CD1 4.33Å; F73-L76 HydrophobicContact CD1-CD1 4.17Å; F73-L76 WeakPolarHBondContact O-CB 3.37Å; F73-L76 PolarHBondContact O-N 2.7Å; Y74-L76 VanDerWaalsContact C-N 3.32Å; L76-S79 PolarHBondContact O-OG 3.48Å; L76-A80 WeakPolarHBondContact O-CB 3.12Å; L76-A80 PolarHBondContact O-N 2.79Å
77V98.5Very high97.5Very high0 Ų052.9 Ų52.90%025%0.249CC..Hα-helixtrans-60.3-50.4172.4-177.60000110L9 V33 I37 C49 F53 L67 C69 F73 Y74 S79 A80 L81L9-V77 HydrophobicContact CD2-CG1 4.14Å; V33-V77 HydrophobicContact CG1-CG1 4.35Å; I37-V77 HydrophobicContact CD1-CB 4.33Å; I37-V77 HydrophobicContact CD1-CG1 4.31Å; I37-V77 HydrophobicContact CD1-CG2 3.93Å; C49-V77 HydrophobicContact CB-CG2 4.04Å; F53-V77 HydrophobicContact CD2-CG1 4.37Å; F53-V77 HydrophobicContact CD2-CG2 4.34Å; F53-V77 HydrophobicContact CE2-CG1 3.96Å; L67-V77 HydrophobicContact CD1-CG1 4.48Å; C69-V77 HydrophobicContact CB-CG2 3.85Å; F73-V77 PolarHBondContact O-N 2.83Å; Y74-V77 PolarHBondContact O-N 2.98Å; V77-S79 PolarHBondContact O-N 3.41Å; V77-A80 WeakPolarHBondContact O-CB 3.47Å; V77-A80 PolarHBondContact O-N 2.91Å; V77-A80 VanDerWaalsContact O-N 3.17Å; V77-L81 WeakPolarHBondContact O-CG 3.49Å; V77-L81 PolarHBondContact O-N 2.78Å
78W98.6Very high97Very high109 Ų10958.2 Ų58.241%0.41327%0.274SS..Hα-helixtrans-61.5-47.4-175.3-171.616.9000112.6L9 Y74 Q75 A80 L81 P82 T100L9-W78 HydrophobicContact CD2-CB 3.69Å; L9-W78 HydrophobicContact CD2-CG 4.11Å; Y74-W78 HydrophobicContact CE2-CE3 4.13Å; Y74-W78 WeakPolarHBondContact O-CB 3.23Å; Y74-W78 PolarHBondContact O-N 3.34Å; Q75-W78 PolarHBondContact O-N 3.07Å; W78-A80 PolarHBondContact O-N 2.76Å; W78-L81 PolarHBondContact O-N 3.21Å; W78-P82 WeakPolarHBondContact O-CD 3.32Å; W78-T100 PolarHBondContact NE1-OG1 2.84Å
79S98.5Very high96.4Very high49 Ų4956.7 Ų56.734%0.34327%0.269SS..Hα-helixtrans-68.2-20.1178.655.40000113.5H41 Q75 L76 V77 F83H41-S79 PolarHBondContact CE1-OG 2.85Å; H41-S79 PolarHBondContact NE2-OG 3.3Å; Q75-S79 VanDerWaalsContact O-CB 3.28Å; Q75-S79 WeakPolarHBondContact O-CB 3.23Å; Q75-S79 PolarHBondContact O-N 3.11Å; Q75-S79 PolarHBondContact O-OG 3.39Å; L76-S79 PolarHBondContact O-OG 3.48Å; V77-S79 PolarHBondContact O-N 3.41Å; S79-F83 VanDerWaalsContact O-CD2 3.25Å; S79-F83 WeakPolarHBondContact O-CD2 3.44Å; S79-F83 VanDerWaalsContact O-CE2 3.26Å; S79-F83 WeakPolarHBondContact O-CE2 3.28Å
80A98.6Very high95.9Very high1 Ų165.9 Ų65.91%0.00831%0.309CS..Hα-helixtrans-78.9-29.6175.600000112.7T36 I37 L76 V77 W78 F83T36-A80 HydrophobicContact CG2-CB 4.25Å; T36-A80 WeakPolarHBondContact CG2-O 3.14Å; I37-A80 HydrophobicContact CB-CB 4.38Å; I37-A80 HydrophobicContact CG1-CB 3.62Å; L76-A80 WeakPolarHBondContact O-CB 3.12Å; L76-A80 PolarHBondContact O-N 2.79Å; V77-A80 WeakPolarHBondContact O-CB 3.47Å; V77-A80 PolarHBondContact O-N 2.91Å; V77-A80 VanDerWaalsContact O-N 3.17Å; W78-A80 PolarHBondContact O-N 2.76Å; A80-F83 WeakPolarHBondContact O-CB 3.5Å; A80-F83 PolarHBondContact O-N 2.97Å; A80-F83 VanDerWaalsContact O-N 3.09Å
81L98.6Very high95.3Very high0 Ų067.7 Ų67.70%034%0.341CS..G310 helixtrans-58.4-42.2-173.4-61.3-177.9000114.7L9 C11 V33 L67 V77 W78 F83 I84 F98L9-L81 HydrophobicContact CD2-CD1 3.95Å; C11-L81 WeakPolarHBondContact SG-CD1 3.43Å; V33-L81 HydrophobicContact CG1-CD2 3.97Å; V33-L81 HydrophobicContact CG2-CD2 4.06Å; L67-L81 HydrophobicContact CD1-CD1 4.1Å; L67-L81 HydrophobicContact CD1-CD2 3.77Å; V77-L81 WeakPolarHBondContact O-CG 3.49Å; V77-L81 PolarHBondContact O-N 2.78Å; W78-L81 PolarHBondContact O-N 3.21Å; L81-F83 PolarHBondContact O-N 3.41Å; L81-F83 VanDerWaalsContact O-N 3.13Å; L81-I84 HydrophobicContact CD2-CD1 4.31Å; L81-I84 WeakPolarHBondContact O-CB 3.38Å; L81-I84 PolarHBondContact O-N 3.49Å; L81-I84 VanDerWaalsContact O-N 3.07Å; L81-F98 HydrophobicContact CB-CB 3.82Å; L81-F98 HydrophobicContact CB-CG 4.33Å
82P97.6Very high95Very high74 Ų7468.7 Ų68.748%0.48135%0.347SS..G310 helixtrans-62.9-17.8178.2-24.235.6000114.4W78 I84W78-P82 WeakPolarHBondContact O-CD 3.32Å; P82-I84 PolarHBondContact O-N 2.98Å
83F98.3Very high94.8Very high116 Ų11670.5 Ų70.551%0.50935%0.349SS..G310 helixtrans-84.33.3177.2-64.1-84000113.3T36 R39 V40 S79 A80 L81 T85T36-F83 HydrophobicContact CG2-CB 3.94Å; R39-F83 PolarHBondContact NH2-O 3.49Å; V40-F83 HydrophobicContact CG1-CD2 4.29Å; V40-F83 HydrophobicContact CG1-CE2 4.16Å; V40-F83 HydrophobicContact CG2-CB 3.96Å; V40-F83 HydrophobicContact CG2-CD1 4.48Å; V40-F83 HydrophobicContact CG2-CD2 3.69Å; V40-F83 HydrophobicContact CG2-CE2 4.3Å; V40-F83 HydrophobicContact CG2-CG 3.8Å; S79-F83 VanDerWaalsContact O-CD2 3.25Å; S79-F83 WeakPolarHBondContact O-CD2 3.44Å; S79-F83 VanDerWaalsContact O-CE2 3.26Å; S79-F83 WeakPolarHBondContact O-CE2 3.28Å; A80-F83 WeakPolarHBondContact O-CB 3.5Å; A80-F83 PolarHBondContact O-N 2.97Å; A80-F83 VanDerWaalsContact O-N 3.09Å; L81-F83 PolarHBondContact O-N 3.41Å; L81-F83 VanDerWaalsContact O-N 3.13Å; F83-T85 PolarHBondContact O-N 2.92Å
84I97.5Very high94.7Very high3 Ų369.4 Ų69.42%0.01534%0.343CS..  trans-89.293.8166.3-55.4173.3000107.3L32 V33 T36 L81 P82 F98L32-I84 HydrophobicContact CD1-CG2 4.33Å; L32-I84 HydrophobicContact CD2-CD1 4.26Å; L32-I84 HydrophobicContact CD2-CG2 3.73Å; L32-I84 HydrophobicContact CG-CD1 4.15Å; L32-I84 HydrophobicContact CG-CG1 4.49Å; L32-I84 HydrophobicContact CG-CG2 4.17Å; V33-I84 HydrophobicContact CG2-CD1 3.92Å; T36-I84 HydrophobicContact CG2-CG1 3.86Å; L81-I84 HydrophobicContact CD2-CD1 4.31Å; L81-I84 WeakPolarHBondContact O-CB 3.38Å; L81-I84 PolarHBondContact O-N 3.49Å; L81-I84 VanDerWaalsContact O-N 3.07Å; P82-I84 PolarHBondContact O-N 2.98Å; I84-F98 HydrophobicContact CB-CD2 3.9Å; I84-F98 HydrophobicContact CB-CE2 4.12Å; I84-F98 HydrophobicContact CD1-CD2 3.89Å; I84-F98 HydrophobicContact CD1-CE2 3.74Å; I84-F98 HydrophobicContact CD1-CZ 4.45Å; I84-F98 HydrophobicContact CG1-CD2 4.45Å; I84-F98 HydrophobicContact CG2-CD2 4.05Å; I84-F98 HydrophobicContact CG2-CE2 3.81Å
85T96.7Very high94.7Very high84 Ų8471.7 Ų71.752%0.51536%0.364SS..  trans-101.4-11.7-173.752.40000113.9F83 P95 C96F83-T85 PolarHBondContact O-N 2.92Å; T85-P95 WeakPolarHBondContact O-CA 3.16Å; T85-C96 CarbonylContact C-O 3.58Å; T85-C96 WeakPolarHBondContact CA-O 3.45Å; T85-C96 PolarHBondContact O-N 2.82Å
86Y94.9Very high94.5Very high102 Ų10266.5 Ų66.540%0.434%0.341SS..EExtended strand (participates in β ladder)trans-150.7155175.361.5-87.5000111.6E88 R93 Y94 C96Y86-E88 HydrophobicContact CD2-CG 4.13Å; Y86-E88 HydrophobicContact CE2-CG 4.1Å; Y86-R93 HydrophobicContact CD2-CG 3.98Å; Y86-R93 HydrophobicContact CE2-CG 4.4Å; Y86-Y94 CarbonylContact C-O 3.58Å; Y86-Y94 WeakPolarHBondContact CA-O 3.12Å; Y86-Y94 WeakPolarHBondContact CB-O 3.45Å; Y86-C96 VanDerWaalsContact C-SG 3.51Å
87L93.4Very high94.4Very high12 Ų1270 Ų706%0.06336%0.355CS..EExtended strand (participates in β ladder)trans-114139.8165.9-73.7-177.8000110.7L13 L24 L32 R93 Y94L13-L87 HydrophobicContact CD1-CD1 4.3Å; L13-L87 HydrophobicContact CD2-CD1 3.47Å; L13-L87 VanDerWaalsContact CD2-CD1 3.47Å; L13-L87 HydrophobicContact CG-CD1 4.42Å; L24-L87 HydrophobicContact CD1-CD1 4.19Å; L24-L87 HydrophobicContact CD1-CD2 4.43Å; L24-L87 HydrophobicContact CD2-CD1 4.23Å; L32-L87 HydrophobicContact CD2-CD2 3.16Å; L32-L87 HydrophobicContact CG-CD2 4.45Å; L87-R93 WeakPolarHBondContact O-CA 3.5Å; L87-Y94 PolarHBondContact N-O 2.89Å; L87-Y94 PolarHBondContact O-N 3.36Å
88E89.5Confident94.4Very high112 Ų11270.4 Ų70.452%0.52336%0.356SS..EExtended strand (participates in β ladder)trans-96.6124.7173.2-73.2-177.4179.500110Y86 H92 R93Y86-E88 HydrophobicContact CD2-CG 4.13Å; Y86-E88 HydrophobicContact CE2-CG 4.1Å; E88-H92 CarbonylContact C-O 3.58Å; E88-H92 WeakPolarHBondContact CA-O 3.35Å; E88-R93 HydrophobicContact CG-CG 3.69Å; E88-R93 IonicContact OE1-CZ 3.75Å; E88-R93 IonicContact OE1-NE 3.65Å; E88-R93 PolarHBondContact OE1-NE 3.14Å; E88-R93 IonicContact OE1-NH2 2.77Å; E88-R93 PolarHBondContact OE1-NH2 3.41Å
89N85.2Confident94.4Very high16 Ų1668.2 Ų68.29%0.08635%0.353CS..EExtended strand (participates in β ladder)trans-139.9122.4175.3176.46.9000109.6R19 S23 G91 H92 Y94R19-N89 PolarHBondContact O-ND2 2.98Å; S23-N89 WeakPolarHBondContact CB-OD1 3.49Å; S23-N89 WeakPolarHBondContact OG-CB 3.43Å; S23-N89 PolarHBondContact OG-ND2 2.87Å; S23-N89 PolarHBondContact OG-OD1 2.75Å; S23-N89 VanDerWaalsContact OG-OD1 3.09Å; N89-G91 PolarHBondContact O-N 3.25Å; N89-G91 VanDerWaalsContact O-N 3.16Å; N89-H92 PolarHBondContact N-O 2.93Å; N89-H92 WeakPolarHBondContact O-CB 3.25Å; N89-H92 PolarHBondContact O-N 3.01Å; N89-Y94 HydrophobicContact CB-CD2 4.11Å; N89-Y94 HydrophobicContact CB-CE2 3.79Å
90K86.1Confident94.4Very high194 Ų19467.5 Ų67.584%0.84335%0.346SS*.THydrogen-bonded Turntrans49.339.9-179.5-67.8174.1-178.5-176.50113.7H92K90-H92 VanDerWaalsContact C-N 3.26Å; K90-H92 PolarHBondContact O-N 2.77Å
91G85.8Confident94.4Very high82 Ų8268.8 Ų68.885%0.84535%0.353SS*.THydrogen-bonded Turntrans81.2-2.818000000115.1N89N89-G91 PolarHBondContact O-N 3.25Å; N89-G91 VanDerWaalsContact O-N 3.16Å
92H90.2Very high94.4Very high117 Ų11771.6 Ų71.654%0.54237%0.366SS..EExtended strand (participates in β ladder)trans-97.3141.9173.7-63.5-77.6000111E88 N89 K90 Y94E88-H92 CarbonylContact C-O 3.58Å; E88-H92 WeakPolarHBondContact CA-O 3.35Å; N89-H92 PolarHBondContact N-O 2.93Å; N89-H92 WeakPolarHBondContact O-CB 3.25Å; N89-H92 PolarHBondContact O-N 3.01Å; K90-H92 VanDerWaalsContact C-N 3.26Å; K90-H92 PolarHBondContact O-N 2.77Å; H92-Y94 HydrophobicContact CB-CD2 4.4Å; H92-Y94 HydrophobicContact CB-CE2 3.58Å
93R92.2Very high94.4Very high159 Ų15969.7 Ų69.760%0.635%0.353SS*.EExtended strand (participates in β ladder)trans-99.4124.6172.4-78.3-179.8174.5175.8-0.8109.9Y86 L87 E88Y86-R93 HydrophobicContact CD2-CG 3.98Å; Y86-R93 HydrophobicContact CE2-CG 4.4Å; L87-R93 WeakPolarHBondContact O-CA 3.5Å; E88-R93 HydrophobicContact CG-CG 3.69Å; E88-R93 IonicContact OE1-CZ 3.75Å; E88-R93 IonicContact OE1-NE 3.65Å; E88-R93 PolarHBondContact OE1-NE 3.14Å; E88-R93 IonicContact OE1-NH2 2.77Å; E88-R93 PolarHBondContact OE1-NH2 3.41Å
94Y94.6Very high94.4Very high27 Ų2764.3 Ų64.311%0.10633%0.33CS..EExtended strand (participates in β ladder)trans-110.6117.6179.2-63.9-81.5000109.4D17 R19 C20 Y86 L87 N89 H92 C96D17-Y94 HydrophobicContact CB-CD1 3.87Å; D17-Y94 HydrophobicContact CB-CE1 4.22Å; D17-Y94 VanDerWaalsContact OD2-CE1 3.27Å; D17-Y94 WeakPolarHBondContact OD2-CE1 3.26Å; R19-Y94 HydrophobicContact CB-CE1 3.91Å; C20-Y94 HydrophobicContact CB-CD1 4.32Å; C20-Y94 HydrophobicContact CB-CG 3.89Å; C20-Y94 VanDerWaalsContact SG-CB 3.52Å; Y86-Y94 CarbonylContact C-O 3.58Å; Y86-Y94 WeakPolarHBondContact CA-O 3.12Å; Y86-Y94 WeakPolarHBondContact CB-O 3.45Å; L87-Y94 PolarHBondContact N-O 2.89Å; L87-Y94 PolarHBondContact O-N 3.36Å; N89-Y94 HydrophobicContact CB-CD2 4.11Å; N89-Y94 HydrophobicContact CB-CE2 3.79Å; H92-Y94 HydrophobicContact CB-CD2 4.4Å; H92-Y94 HydrophobicContact CB-CE2 3.58Å; Y94-C96 PolarHBondContact O-N 3.38Å
95P96.1Very high94.4Very high96 Ų9665.9 Ų65.962%0.62335%0.347SS*.EExtended strand (participates in β ladder)trans-57.8133.3173.1-22.733.5000110.7S15 T85S15-P95 WeakPolarHBondContact CB-O 3.38Å; S15-P95 PolarHBondContact OG-O 2.97Å; T85-P95 WeakPolarHBondContact O-CA 3.16Å
96C95.7Very high94.5Very high9 Ų965 Ų656%0.06134%0.342CS..  trans-154.5166.2178.869.20000111.2L13 V14 T85 Y86 Y94L13-C96 HydrophobicContact CD1-CB 3.74Å; V14-C96 CarbonylContact O-C 3.52Å; V14-C96 WeakPolarHBondContact O-CA 3.38Å; V14-C96 VanDerWaalsContact O-CB 3.28Å; V14-C96 WeakPolarHBondContact O-CB 3.46Å; T85-C96 CarbonylContact C-O 3.58Å; T85-C96 WeakPolarHBondContact CA-O 3.45Å; T85-C96 PolarHBondContact O-N 2.82Å; Y86-C96 VanDerWaalsContact C-SG 3.51Å; Y94-C96 PolarHBondContact O-N 3.38Å
97F96.8Very high94.6Very high107 Ų10763.5 Ų63.547%0.46934%0.34SS..EExtended strand (participates in β ladder)trans-146.5155.7166.866.7-84000111.3V14 N99V14-F97 HydrophobicContact CB-CD1 3.98Å; V14-F97 HydrophobicContact CB-CD2 4.43Å; V14-F97 HydrophobicContact CB-CE1 3.51Å; V14-F97 HydrophobicContact CB-CE2 4.02Å; V14-F97 HydrophobicContact CB-CG 4.42Å; V14-F97 HydrophobicContact CB-CZ 3.53Å; V14-F97 HydrophobicContact CG1-CD1 4.3Å; V14-F97 HydrophobicContact CG1-CE1 3.46Å; V14-F97 VanDerWaalsContact CG1-CE1 3.46Å; V14-F97 HydrophobicContact CG1-CZ 3.6Å; V14-F97 HydrophobicContact CG2-CE1 4.31Å; V14-F97 HydrophobicContact CG2-CE2 3.97Å; V14-F97 HydrophobicContact CG2-CZ 3.8Å; V14-F97 PolarHBondContact N-O 3.48Å; V14-F97 PolarHBondContact O-N 3.45Å; F97-N99 HydrophobicContact CD2-CB 4.41Å; F97-N99 HydrophobicContact CE2-CB 4.01Å
98F97.7Very high94.8Very high9 Ų972.5 Ų72.54%0.03937%0.373CS..EExtended strand (participates in β ladder)trans-91.9112.3172.9-84.2-100.3000110.5C11 L13 L29 V65 L81 I84C11-F98 HydrophobicContact CB-CD1 3.94Å; L13-F98 HydrophobicContact CB-CE1 4.49Å; L13-F98 HydrophobicContact CB-CZ 4.4Å; L13-F98 HydrophobicContact CD1-CD2 4Å; L13-F98 HydrophobicContact CD1-CE2 3.64Å; L13-F98 HydrophobicContact CD1-CZ 4.05Å; L29-F98 HydrophobicContact CD1-CE1 4.16Å; L29-F98 HydrophobicContact CD1-CZ 3.56Å; V65-F98 HydrophobicContact CB-CE1 4.44Å; V65-F98 HydrophobicContact CG2-CE1 4.15Å; L81-F98 HydrophobicContact CB-CB 3.82Å; L81-F98 HydrophobicContact CB-CG 4.33Å; I84-F98 HydrophobicContact CB-CD2 3.9Å; I84-F98 HydrophobicContact CB-CE2 4.12Å; I84-F98 HydrophobicContact CD1-CD2 3.89Å; I84-F98 HydrophobicContact CD1-CE2 3.74Å; I84-F98 HydrophobicContact CD1-CZ 4.45Å; I84-F98 HydrophobicContact CG1-CD2 4.45Å; I84-F98 HydrophobicContact CG2-CD2 4.05Å; I84-F98 HydrophobicContact CG2-CE2 3.81Å
99N97.8Very high95.3Very high64 Ų6470.1 Ų70.134%0.34237%0.366SS..EExtended strand (participates in β ladder)trans-88.3118168.8-176.823.1000109.5C11 E12 V14 F97 L101C11-N99 CarbonylContact C-O 3.5Å; C11-N99 WeakPolarHBondContact CA-O 3.2Å; C11-N99 WeakPolarHBondContact CB-O 3.44Å; E12-N99 HydrophobicContact CB-CB 4.33Å; E12-N99 PolarHBondContact N-O 3.19Å; E12-N99 PolarHBondContact O-N 2.92Å; E12-N99 PolarHBondContact OE2-ND2 2.79Å; V14-N99 HydrophobicContact CG2-CB 4.18Å; F97-N99 HydrophobicContact CD2-CB 4.41Å; F97-N99 HydrophobicContact CE2-CB 4.01Å; N99-L101 WeakPolarHBondContact ND2-CD2 3.46Å; N99-L101 PolarHBondContact O-N 3.4Å
100T98.5Very high95.9Very high33 Ų3369.5 Ų69.520%0.20236%0.363CS..EExtended strand (participates in β ladder)trans-86.4111.3177.3-580000110.1W78 V103W78-T100 PolarHBondContact NE1-OG1 2.84Å; T100-V103 HydrophobicContact CG2-CG2 4.13Å
101L98.4Very high96.5Very high28 Ų2865.6 Ų65.615%0.14735%0.348CS..EExtended strand (participates in β ladder)trans-81-41.8-177.2-57.6178.6000112.2L10 E12 I64 N99 F113 Y117L10-L101 HydrophobicContact CD2-CB 4.35Å; L10-L101 HydrophobicContact CG-CB 4.32Å; L10-L101 HydrophobicContact CG-CD1 4.41Å; L10-L101 PolarHBondContact O-N 3.41Å; E12-L101 HydrophobicContact CB-CD1 4.01Å; E12-L101 HydrophobicContact CB-CD2 4.33Å; E12-L101 HydrophobicContact CB-CG 4.17Å; I64-L101 HydrophobicContact CD1-CD1 3.79Å; N99-L101 WeakPolarHBondContact ND2-CD2 3.46Å; N99-L101 PolarHBondContact O-N 3.4Å; L101-F113 HydrophobicContact CB-CE1 3.9Å; L101-F113 VanDerWaalsContact O-CZ 3.26Å; L101-F113 WeakPolarHBondContact O-CZ 3.46Å; L101-Y117 HydrophobicContact CD1-CD1 4.04Å; L101-Y117 HydrophobicContact CD1-CE1 3.81Å; L101-Y117 HydrophobicContact CD1-CE2 4.34Å; L101-Y117 HydrophobicContact CD1-CG 4.41Å; L101-Y117 HydrophobicContact CD2-CD2 4.35Å; L101-Y117 HydrophobicContact CD2-CE1 4.43Å; L101-Y117 HydrophobicContact CD2-CE2 3.68Å
102H98.6Very high97.1Very high59 Ų5968.9 Ų68.927%0.27334%0.339SS..EExtended strand (participates in β ladder)trans-156.8146.9-176.3-174.368.4000113.1L10 F113L10-H102 HydrophobicContact CB-CB 4.17Å; L10-H102 HydrophobicContact CD2-CB 4.26Å; L10-H102 PolarHBondContact N-O 3.13Å; L10-H102 PolarHBondContact O-N 3.46Å; L10-H102 VanDerWaalsContact O-N 3.12Å; H102-F113 HydrophobicContact CB-CB 4.48Å; H102-F113 HydrophobicContact CB-CD1 3.65Å; H102-F113 HydrophobicContact CB-CD2 4.01Å; H102-F113 HydrophobicContact CB-CE1 3.82Å; H102-F113 HydrophobicContact CB-CE2 4.13Å; H102-F113 HydrophobicContact CB-CG 3.76Å; H102-F113 HydrophobicContact CB-CZ 4.03Å; H102-F113 AromaticContact CG-CD2 3.84Å; H102-F113 AromaticContact CG-CG 3.81Å; H102-F113 AromaticContact ND1-CD2 3.68Å; H102-F113 AromaticContact ND1-CE2 3.97Å
103V98.6Very high97.5Very high35 Ų3566.3 Ų66.321%0.21233%0.326CS..EExtended strand (participates in β ladder)trans-116.1104.5170.2-177.60000110.3R7 Y8 L9 Y74 T100R7-V103 HydrophobicContact CB-CG1 4.49Å; Y8-V103 CarbonylContact O-C 3.52Å; Y8-V103 WeakPolarHBondContact O-CA 3.49Å; L9-V103 HydrophobicContact CG-CG2 4.42Å; Y74-V103 HydrophobicContact CD2-CG1 3.85Å; Y74-V103 HydrophobicContact CE2-CG1 3.8Å; T100-V103 HydrophobicContact CG2-CG2 4.13Å
104G98Very high97.8Very high2 Ų259.8 Ų59.82%0.02130%0.303CS..EExtended strand (participates in β ladder)trans-100.6162.8-176.300000114.1R7 Y8R7-G104 WeakPolarHBondContact CA-O 3.48Å; R7-G104 WeakPolarHBondContact CD-O 3.45Å; Y8-G104 PolarHBondContact N-O 3.33Å; Y8-G104 PolarHBondContact O-N 3.15Å
105G97.9Very high97.9Very high36 Ų3662 Ų6237%0.37132%0.316SS..SBendtrans-89.9-20.7167.900000113.4Y8Y8-G105 WeakPolarHBondContact CE2-O 3.26Å
106T97.5Very high98Very high66 Ų6663.8 Ų63.841%0.40532%0.316SS..SBendtrans-139.8157.1-177.570.70000111R108 T109 C110T106-R108 VanDerWaalsContact C-N 3.28Å; T106-R108 PolarHBondContact O-N 2.8Å; T106-T109 PolarHBondContact N-OG1 2.91Å; T106-T109 PolarHBondContact O-N 3.49Å; T106-T109 PolarHBondContact O-OG1 3.22Å; T106-T109 WeakPolarHBondContact OG1-CG2 3.38Å; T106-T109 PolarHBondContact OG1-N 3.45Å; T106-T109 VanDerWaalsContact OG1-N 3.08Å; T106-T109 PolarHBondContact OG1-OG1 2.9Å; T106-C110 PolarHBondContact O-N 2.95Å
107I98.1Very high98.1Very high71 Ų7165.3 Ų65.336%0.36432%0.321SS..Hα-helixtrans-60.2-41.6172.4-60.7177.1000110.1Y8 L66 T109 C110 Q111Y8-I107 HydrophobicContact CD1-CG1 3.81Å; Y8-I107 HydrophobicContact CE1-CD1 3.89Å; Y8-I107 HydrophobicContact CE1-CG1 3.37Å; Y8-I107 HydrophobicContact CE2-CG1 4.44Å; L66-I107 HydrophobicContact CD2-CG1 4.22Å; L66-I107 HydrophobicContact CD2-CG2 4.05Å; I107-T109 VanDerWaalsContact C-N 3.33Å; I107-T109 PolarHBondContact O-N 2.96Å; I107-C110 CarbonylContact O-C 3.44Å; I107-C110 WeakPolarHBondContact O-CB 3.18Å; I107-C110 PolarHBondContact O-N 2.83Å; I107-Q111 WeakPolarHBondContact O-CB 3.46Å; I107-Q111 PolarHBondContact O-N 2.82Å
108R98.3Very high98Very high200 Ų20063.4 Ų63.476%0.75532%0.315SS*.Hα-helixtrans-57-42.6178.6-68.2-174-179.8-170.2-1112.9T106 Q111 K112T106-R108 VanDerWaalsContact C-N 3.28Å; T106-R108 PolarHBondContact O-N 2.8Å; R108-Q111 PolarHBondContact O-N 3.21Å; R108-K112 WeakPolarHBondContact O-CG 3.4Å; R108-K112 PolarHBondContact O-N 2.81Å
109T98.4Very high97.8Very high63 Ų6371.3 Ų71.339%0.38735%0.345SS..Hα-helixtrans-66-39.2176.4460000112.1T106 I107 F113T106-T109 PolarHBondContact N-OG1 2.91Å; T106-T109 PolarHBondContact O-N 3.49Å; T106-T109 PolarHBondContact O-OG1 3.22Å; T106-T109 WeakPolarHBondContact OG1-CG2 3.38Å; T106-T109 PolarHBondContact OG1-N 3.45Å; T106-T109 VanDerWaalsContact OG1-N 3.08Å; T106-T109 PolarHBondContact OG1-OG1 2.9Å; I107-T109 VanDerWaalsContact C-N 3.33Å; I107-T109 PolarHBondContact O-N 2.96Å; T109-F113 WeakPolarHBondContact O-CB 3.45Å; T109-F113 PolarHBondContact O-N 3.32Å; T109-F113 VanDerWaalsContact O-N 3.13Å
110C98.6Very high97.7Very high2 Ų276.6 Ų76.61%0.01436%0.36CS..Hα-helixtrans-67.3-39.4175.3-660000111.9L10 L66 T106 I107 F113 L114L10-C110 HydrophobicContact CB-CB 4.49Å; L66-C110 HydrophobicContact CD1-CB 3.73Å; T106-C110 PolarHBondContact O-N 2.95Å; I107-C110 CarbonylContact O-C 3.44Å; I107-C110 WeakPolarHBondContact O-CB 3.18Å; I107-C110 PolarHBondContact O-N 2.83Å; C110-F113 PolarHBondContact O-N 3.31Å; C110-L114 WeakPolarHBondContact O-CB 3.2Å; C110-L114 PolarHBondContact O-N 3.07Å
111Q98.4Very high97.4Very high113 Ų11378 Ų7853%0.52837%0.365SS..Hα-helixtrans-63.9-47.8177.2-176.5-175.7-0.500111.5I107 R108 F113 L114 I115I107-Q111 WeakPolarHBondContact O-CB 3.46Å; I107-Q111 PolarHBondContact O-N 2.82Å; R108-Q111 PolarHBondContact O-N 3.21Å; Q111-F113 VanDerWaalsContact C-N 3.28Å; Q111-F113 PolarHBondContact O-N 3.49Å; Q111-L114 PolarHBondContact O-N 2.78Å; Q111-L114 VanDerWaalsContact O-N 3.14Å; Q111-I115 HydrophobicContact CG-CD1 4.07Å; Q111-I115 WeakPolarHBondContact O-CG1 3.41Å; Q111-I115 PolarHBondContact O-N 3.42Å
112K98.6Very high97.1Very high150 Ų15079.7 Ų79.765%0.65237%0.373SS*.Hα-helixtrans-57-44.4175.5-74.1-174.5178.7-168.90111.6R108 Q116R108-K112 WeakPolarHBondContact O-CG 3.4Å; R108-K112 PolarHBondContact O-N 2.81Å; K112-Q116 WeakPolarHBondContact O-CG 3.43Å; K112-Q116 PolarHBondContact O-N 3.47Å
113F98.7Very high96.7Very high64 Ų6482 Ų8228%0.28139%0.387SS..Hα-helixtrans-61.7-47.4175.1-178.2-79.9000111.5L10 L101 H102 T109 C110 Q111 I115 Q116 Y117L10-F113 HydrophobicContact CD2-CD1 3.66Å; L10-F113 HydrophobicContact CD2-CE1 4.3Å; L101-F113 HydrophobicContact CB-CE1 3.9Å; L101-F113 VanDerWaalsContact O-CZ 3.26Å; L101-F113 WeakPolarHBondContact O-CZ 3.46Å; H102-F113 HydrophobicContact CB-CB 4.48Å; H102-F113 HydrophobicContact CB-CD1 3.65Å; H102-F113 HydrophobicContact CB-CD2 4.01Å; H102-F113 HydrophobicContact CB-CE1 3.82Å; H102-F113 HydrophobicContact CB-CE2 4.13Å; H102-F113 HydrophobicContact CB-CG 3.76Å; H102-F113 HydrophobicContact CB-CZ 4.03Å; H102-F113 AromaticContact CG-CD2 3.84Å; H102-F113 AromaticContact CG-CG 3.81Å; H102-F113 AromaticContact ND1-CD2 3.68Å; H102-F113 AromaticContact ND1-CE2 3.97Å; T109-F113 WeakPolarHBondContact O-CB 3.45Å; T109-F113 PolarHBondContact O-N 3.32Å; T109-F113 VanDerWaalsContact O-N 3.13Å; C110-F113 PolarHBondContact O-N 3.31Å; Q111-F113 VanDerWaalsContact C-N 3.28Å; Q111-F113 PolarHBondContact O-N 3.49Å; F113-I115 VanDerWaalsContact C-N 3.34Å; F113-I115 PolarHBondContact O-N 3.41Å; F113-Q116 PolarHBondContact O-N 2.81Å; F113-Y117 HydrophobicContact CE1-CD2 4.46Å; F113-Y117 HydrophobicContact CE1-CG 4.45Å; F113-Y117 WeakPolarHBondContact O-CB 3.34Å; F113-Y117 PolarHBondContact O-N 3.35Å
114L98.5Very high96.4Very high22 Ų2283.1 Ų83.112%0.11539%0.391CS..Hα-helixtrans-61.2-40.9-178.1-178.860.1000112.1L10 I64 C110 Q111 Y117 N118L10-L114 HydrophobicContact CD1-CD1 4.4Å; L10-L114 HydrophobicContact CD1-CD2 4.33Å; L10-L114 HydrophobicContact CD2-CB 3.9Å; L10-L114 HydrophobicContact CD2-CD1 4.27Å; I64-L114 HydrophobicContact CD1-CD1 3.89Å; I64-L114 HydrophobicContact CG1-CD1 4.07Å; I64-L114 HydrophobicContact CG2-CD1 3.9Å; I64-L114 HydrophobicContact CG2-CD2 3.85Å; C110-L114 WeakPolarHBondContact O-CB 3.2Å; C110-L114 PolarHBondContact O-N 3.07Å; Q111-L114 PolarHBondContact O-N 2.78Å; Q111-L114 VanDerWaalsContact O-N 3.14Å; L114-Y117 HydrophobicContact CD1-CD1 4.39Å; L114-Y117 PolarHBondContact O-N 3.08Å; L114-N118 WeakPolarHBondContact O-CB 3.21Å; L114-N118 VanDerWaalsContact O-CG 3.24Å; L114-N118 PolarHBondContact O-N 2.74Å
115I96.5Very high95.9Very high73 Ų7388.2 Ų88.237%0.37442%0.417SS..Hα-helixtrans-60.7-47.3175.8-67.8165000110.4Q111 F113 N118 R119Q111-I115 HydrophobicContact CG-CD1 4.07Å; Q111-I115 WeakPolarHBondContact O-CG1 3.41Å; Q111-I115 PolarHBondContact O-N 3.42Å; F113-I115 VanDerWaalsContact C-N 3.34Å; F113-I115 PolarHBondContact O-N 3.41Å; I115-N118 PolarHBondContact O-N 3.27Å; I115-R119 WeakPolarHBondContact O-CB 3.32Å; I115-R119 VanDerWaalsContact O-CG 3.29Å; I115-R119 WeakPolarHBondContact O-CG 3.47Å; I115-R119 PolarHBondContact O-N 3.44Å
116Q98Very high95.5Very high134 Ų13487.9 Ų87.963%0.62641%0.407SS*.Hα-helixtrans-64.1-41.5178.1-69.5175.90.100111.9K112 F113 R120K112-Q116 WeakPolarHBondContact O-CG 3.43Å; K112-Q116 PolarHBondContact O-N 3.47Å; F113-Q116 PolarHBondContact O-N 2.81Å; Q116-R120 PolarHBondContact O-N 2.81Å
117Y97.7Very high95.1Very high41 Ų4192.1 Ų92.116%0.16142%0.422CS..Hα-helixtrans-61.1-51.2176.1175-93.5000111.2E12 L101 F113 L114 R119 R120 Q121E12-Y117 PolarHBondContact OE2-OH 3.07Å; L101-Y117 HydrophobicContact CD1-CD1 4.04Å; L101-Y117 HydrophobicContact CD1-CE1 3.81Å; L101-Y117 HydrophobicContact CD1-CE2 4.34Å; L101-Y117 HydrophobicContact CD1-CG 4.41Å; L101-Y117 HydrophobicContact CD2-CD2 4.35Å; L101-Y117 HydrophobicContact CD2-CE1 4.43Å; L101-Y117 HydrophobicContact CD2-CE2 3.68Å; F113-Y117 HydrophobicContact CE1-CD2 4.46Å; F113-Y117 HydrophobicContact CE1-CG 4.45Å; F113-Y117 WeakPolarHBondContact O-CB 3.34Å; F113-Y117 PolarHBondContact O-N 3.35Å; L114-Y117 HydrophobicContact CD1-CD1 4.39Å; L114-Y117 PolarHBondContact O-N 3.08Å; Y117-R119 PolarHBondContact O-N 2.85Å; Y117-R120 WeakPolarHBondContact O-CB 3.46Å; Y117-R120 PolarHBondContact O-N 3.12Å; Y117-R120 VanDerWaalsContact O-N 3.11Å; Y117-Q121 HydrophobicContact CD1-CG 4.1Å; Y117-Q121 HydrophobicContact CE1-CG 3.63Å; Y117-Q121 HydrophobicContact CE2-CG 4.21Å; Y117-Q121 WeakPolarHBondContact O-CG 3.05Å; Y117-Q121 PolarHBondContact O-N 3.31Å
118N94.9Very high94.7Very high66 Ų6694.2 Ų94.235%0.35343%0.434SS..Hα-helixtrans-61.6-41.6179.4-72.1-6.9000112L114 I115 R120 Q121 L122L114-N118 WeakPolarHBondContact O-CB 3.21Å; L114-N118 VanDerWaalsContact O-CG 3.24Å; L114-N118 PolarHBondContact O-N 2.74Å; I115-N118 PolarHBondContact O-N 3.27Å; N118-R120 VanDerWaalsContact C-N 3.3Å; N118-R120 PolarHBondContact O-N 2.8Å; N118-Q121 PolarHBondContact O-N 2.8Å; N118-L122 WeakPolarHBondContact O-CB 3.4Å; N118-L122 PolarHBondContact O-N 2.79Å
119R93.2Very high94.2Very high175 Ų17586 Ų8666%0.6641%0.407SS*.Hα-helixtrans-58.2-43.3174.1-75.8176.3-179.9-175.3-0.2111.6I115 Y117 L123I115-R119 WeakPolarHBondContact O-CB 3.32Å; I115-R119 VanDerWaalsContact O-CG 3.29Å; I115-R119 WeakPolarHBondContact O-CG 3.47Å; I115-R119 PolarHBondContact O-N 3.44Å; Y117-R119 PolarHBondContact O-N 2.85Å; R119-L123 WeakPolarHBondContact O-CG 3.43Å; R119-L123 PolarHBondContact O-N 2.81Å
120R95.9Very high93.8Very high175 Ų17589.6 Ų89.666%0.6643%0.429SS*.Hα-helixtrans-65.5-43.7176.5-178175-179.8154.51.2112.1Q116 Y117 N118 L122 L123 I124Q116-R120 PolarHBondContact O-N 2.81Å; Y117-R120 WeakPolarHBondContact O-CB 3.46Å; Y117-R120 PolarHBondContact O-N 3.12Å; Y117-R120 VanDerWaalsContact O-N 3.11Å; N118-R120 VanDerWaalsContact C-N 3.3Å; N118-R120 PolarHBondContact O-N 2.8Å; R120-L122 VanDerWaalsContact C-N 3.34Å; R120-L123 PolarHBondContact O-N 3.18Å; R120-I124 HydrophobicContact CG-CD1 4.02Å; R120-I124 WeakPolarHBondContact O-CG1 3.35Å; R120-I124 PolarHBondContact O-N 3.34Å; R120-I124 VanDerWaalsContact O-N 3.1Å
121Q93.5Very high93.5Very high64 Ų6493.3 Ų93.330%0.29945%0.449SS..Hα-helixtrans-60.9-44.6177.5-68.1-55-40.800111.4Y117 N118 L123 I124 L125Y117-Q121 HydrophobicContact CD1-CG 4.1Å; Y117-Q121 HydrophobicContact CE1-CG 3.63Å; Y117-Q121 HydrophobicContact CE2-CG 4.21Å; Y117-Q121 WeakPolarHBondContact O-CG 3.05Å; Y117-Q121 PolarHBondContact O-N 3.31Å; N118-Q121 PolarHBondContact O-N 2.8Å; Q121-L123 VanDerWaalsContact C-N 3.31Å; Q121-L123 PolarHBondContact O-N 3.44Å; Q121-I124 PolarHBondContact O-N 3.13Å; Q121-L125 WeakPolarHBondContact O-CG 3.21Å; Q121-L125 PolarHBondContact O-N 2.99Å
122L90.6Very high93.1Very high63 Ų6393.3 Ų93.333%0.3345%0.449SS..Hα-helixtrans-58.2-43.1177.6-17864.2000112.1N118 R120 L125 L126 I138 V142N118-L122 WeakPolarHBondContact O-CB 3.4Å; N118-L122 PolarHBondContact O-N 2.79Å; R120-L122 VanDerWaalsContact C-N 3.34Å; L122-L125 PolarHBondContact O-N 2.81Å; L122-L126 HydrophobicContact CG-CD1 4.25Å; L122-L126 WeakPolarHBondContact O-CB 3.34Å; L122-L126 WeakPolarHBondContact O-CG 3.47Å; L122-L126 PolarHBondContact O-N 2.84Å; L122-I138 HydrophobicContact CD1-CG2 4.23Å; L122-V142 HydrophobicContact CD1-CG2 4.21Å; L122-V142 HydrophobicContact CD2-CG1 4.29Å; L122-V142 HydrophobicContact CD2-CG2 3.86Å
123L90.8Very high92.8Very high106 Ų10688.1 Ų88.156%0.55544%0.438SS*.Hα-helixtrans-64.5-40.9176.9-69.7172.7000112.6R119 R120 Q121 L126 Q127R119-L123 WeakPolarHBondContact O-CG 3.43Å; R119-L123 PolarHBondContact O-N 2.81Å; R120-L123 PolarHBondContact O-N 3.18Å; Q121-L123 VanDerWaalsContact C-N 3.31Å; Q121-L123 PolarHBondContact O-N 3.44Å; L123-L126 PolarHBondContact O-N 3.15Å; L123-Q127 VanDerWaalsContact O-CG 3.3Å; L123-Q127 WeakPolarHBondContact O-CG 3.35Å; L123-Q127 PolarHBondContact O-N 3.13Å
124I92.2Very high92.3Very high60 Ų6090.6 Ų90.631%0.30845%0.451SS..Hα-helixtrans-64.2-44.7176.8-67165.6000110.3R120 Q121 L126 Q127 N128R120-I124 HydrophobicContact CG-CD1 4.02Å; R120-I124 WeakPolarHBondContact O-CG1 3.35Å; R120-I124 PolarHBondContact O-N 3.34Å; R120-I124 VanDerWaalsContact O-N 3.1Å; Q121-I124 PolarHBondContact O-N 3.13Å; I124-L126 PolarHBondContact O-N 3.07Å; I124-Q127 PolarHBondContact O-N 3.09Å; I124-N128 VanDerWaalsContact O-CG 3.31Å; I124-N128 PolarHBondContact O-N 3.45Å; I124-N128 VanDerWaalsContact O-N 3.08Å; I124-N128 PolarHBondContact O-ND2 2.95Å
125L88.6Confident91.9Very high108 Ų10894.1 Ų94.157%0.56546%0.462SS*.Hα-helixtrans-61.2-45.5177.8-69.2172000111.3Q121 L122 Q127 N128 C129Q121-L125 WeakPolarHBondContact O-CG 3.21Å; Q121-L125 PolarHBondContact O-N 2.99Å; L122-L125 PolarHBondContact O-N 2.81Å; L125-Q127 VanDerWaalsContact C-N 3.3Å; L125-Q127 PolarHBondContact O-N 3.03Å; L125-N128 PolarHBondContact O-N 3.08Å; L125-N128 VanDerWaalsContact O-N 3.14Å; L125-C129 PolarHBondContact O-N 3.31Å; L125-C129 VanDerWaalsContact O-N 3.09Å; L125-C129 PolarHBondContact O-SG 3.23Å
126L88.3Confident91.7Very high29 Ų2995.2 Ų95.215%0.15247%0.466CS..Hα-helixtrans-62.3-33.6176.6-77.9172.9000113.6L122 L123 I124 N128 R135 I138 Q139L122-L126 HydrophobicContact CG-CD1 4.25Å; L122-L126 WeakPolarHBondContact O-CB 3.34Å; L122-L126 WeakPolarHBondContact O-CG 3.47Å; L122-L126 PolarHBondContact O-N 2.84Å; L123-L126 PolarHBondContact O-N 3.15Å; I124-L126 PolarHBondContact O-N 3.07Å; L126-N128 VanDerWaalsContact C-N 3.35Å; L126-R135 HydrophobicContact CD2-CG 4.38Å; L126-I138 HydrophobicContact CD2-CB 3.85Å; L126-I138 HydrophobicContact CD2-CD1 4.33Å; L126-I138 HydrophobicContact CD2-CG2 3.51Å; L126-I138 HydrophobicContact CG-CG2 4.23Å; L126-Q139 HydrophobicContact CD2-CG 4.49Å
127Q88.3Confident91.4Very high156 Ų15691.2 Ų91.273%0.72946%0.456SS*.Hα-helixtrans-73-29.5176-75.7174.9-2.900112.6L123 I124 L125L123-Q127 VanDerWaalsContact O-CG 3.3Å; L123-Q127 WeakPolarHBondContact O-CG 3.35Å; L123-Q127 PolarHBondContact O-N 3.13Å; I124-Q127 PolarHBondContact O-N 3.09Å; L125-Q127 VanDerWaalsContact C-N 3.3Å; L125-Q127 PolarHBondContact O-N 3.03Å
128N89.7Confident90.9Very high115 Ų11592 Ų9262%0.61546%0.462SS*.Hα-helixtrans-89-6179.9-67.3-23.9000113.2I124 L125 L126 T130I124-N128 VanDerWaalsContact O-CG 3.31Å; I124-N128 PolarHBondContact O-N 3.45Å; I124-N128 VanDerWaalsContact O-N 3.08Å; I124-N128 PolarHBondContact O-ND2 2.95Å; L125-N128 PolarHBondContact O-N 3.08Å; L125-N128 VanDerWaalsContact O-N 3.14Å; L126-N128 VanDerWaalsContact C-N 3.35Å; N128-T130 PolarHBondContact O-N 3.43Å
129C88.8Confident90.6Very high26 Ų2692.9 Ų92.918%0.17646%0.464CS..  trans-63.2117.6172.7-74.90000109.9L125 R135L125-C129 PolarHBondContact O-N 3.31Å; L125-C129 VanDerWaalsContact O-N 3.09Å; L125-C129 PolarHBondContact O-SG 3.23Å; C129-R135 HydrophobicContact CB-CB 4.23Å
130T90Very high90.5Very high139 Ų13990.8 Ų90.885%0.85346%0.46SS*.  trans-85.8-26176.752.30000112.5N128N128-T130 PolarHBondContact O-N 3.43Å
131D91.9Very high90.1Very high81 Ų8185.9 Ų85.943%0.43345%0.452SS..  trans-94.6124.2178.7-174.369.9000111.1G133 E134 R135D131-G133 VanDerWaalsContact C-N 3.28Å; D131-G133 PolarHBondContact O-N 3.49Å; D131-G133 WeakPolarHBondContact OD2-CA 3.23Å; D131-G133 PolarHBondContact OD2-N 2.91Å; D131-E134 HydrophobicContact CB-CB 4.12Å; D131-E134 HydrophobicContact CB-CG 4.01Å; D131-E134 PolarHBondContact O-N 2.95Å; D131-E134 PolarHBondContact OD2-N 2.81Å; D131-R135 WeakPolarHBondContact O-CB 3.48Å; D131-R135 PolarHBondContact O-N 3.12Å
132E89.8Confident89.8Confident112 Ų11285.2 Ų85.252%0.52345%0.452SS..Hα-helixtrans-67.8-30.5178.7-69.4-63.2152.800111.7R135 E136E132-R135 PolarHBondContact O-N 3.08Å; E132-R135 IonicContact OE1-NH1 2.75Å; E132-R135 IonicContact OE2-NH1 3.2Å; E132-E136 WeakPolarHBondContact O-CG 3.26Å; E132-E136 PolarHBondContact O-N 3.35Å
133G92.2Very high89.7Confident42 Ų4286.1 Ų86.143%0.43346%0.461SS..Hα-helixtrans-65.9-45.8176.400000112.4D131 R135 E136 A137D131-G133 VanDerWaalsContact C-N 3.28Å; D131-G133 PolarHBondContact O-N 3.49Å; D131-G133 WeakPolarHBondContact OD2-CA 3.23Å; D131-G133 PolarHBondContact OD2-N 2.91Å; G133-R135 VanDerWaalsContact C-N 3.34Å; G133-E136 PolarHBondContact O-N 3.17Å; G133-A137 WeakPolarHBondContact O-CB 3.25Å; G133-A137 PolarHBondContact O-N 3.45Å
134E89.6Confident89.6Confident116 Ų11689.6 Ų89.654%0.54247%0.467SS..Hα-helixtrans-60.6-44172.5-71-174.7174.500111.3D131 E136 A137 I138D131-E134 HydrophobicContact CB-CB 4.12Å; D131-E134 HydrophobicContact CB-CG 4.01Å; D131-E134 PolarHBondContact O-N 2.95Å; D131-E134 PolarHBondContact OD2-N 2.81Å; E134-E136 PolarHBondContact O-N 3.3Å; E134-A137 PolarHBondContact O-N 2.9Å; E134-I138 VanDerWaalsContact O-CG1 3.29Å; E134-I138 WeakPolarHBondContact O-CG1 3.31Å; E134-I138 PolarHBondContact O-N 3.37Å
135R90.2Very high89.2Confident95 Ų9590.2 Ų90.236%0.35848%0.476SS..Hα-helixtrans-59.2-47177.7-175.3-177.6-179.51763111.7L126 C129 D131 E132 G133 A137 I138 Q139L126-R135 HydrophobicContact CD2-CG 4.38Å; C129-R135 HydrophobicContact CB-CB 4.23Å; D131-R135 WeakPolarHBondContact O-CB 3.48Å; D131-R135 PolarHBondContact O-N 3.12Å; E132-R135 PolarHBondContact O-N 3.08Å; E132-R135 IonicContact OE1-NH1 2.75Å; E132-R135 IonicContact OE2-NH1 3.2Å; G133-R135 VanDerWaalsContact C-N 3.34Å; R135-A137 VanDerWaalsContact C-N 3.34Å; R135-I138 PolarHBondContact O-N 3.48Å; R135-Q139 WeakPolarHBondContact O-CG 3.35Å; R135-Q139 PolarHBondContact O-N 3.25Å
136E91.1Very high88.9Confident96 Ų9688.5 Ų88.545%0.44947%0.472SS..Hα-helixtrans-62-41175.1-79.1-169.6-163.600112.3E132 G133 E134 I138 Q139 K140E132-E136 WeakPolarHBondContact O-CG 3.26Å; E132-E136 PolarHBondContact O-N 3.35Å; G133-E136 PolarHBondContact O-N 3.17Å; E134-E136 PolarHBondContact O-N 3.3Å; E136-I138 VanDerWaalsContact C-N 3.35Å; E136-Q139 PolarHBondContact O-N 3.04Å; E136-K140 WeakPolarHBondContact O-CB 3.27Å; E136-K140 VanDerWaalsContact O-CG 3.26Å; E136-K140 WeakPolarHBondContact O-CG 3.37Å; E136-K140 PolarHBondContact O-N 2.85Å; E136-K140 IonicContact OE2-NZ 2.9Å; E136-K140 PolarHBondContact OE2-NZ 3.34Å
137A91.1Very high88.6Confident51 Ų5191.1 Ų91.142%0.42149%0.486SS..Hα-helixtrans-63.8-41.2178.900000111.7G133 E134 R135 S141G133-A137 WeakPolarHBondContact O-CB 3.25Å; G133-A137 PolarHBondContact O-N 3.45Å; E134-A137 PolarHBondContact O-N 2.9Å; R135-A137 VanDerWaalsContact C-N 3.34Å; A137-S141 WeakPolarHBondContact O-CB 3.44Å; A137-S141 PolarHBondContact O-N 3.31Å; A137-S141 PolarHBondContact O-OG 3.48Å
138I88.3Confident87.6Confident56 Ų5687.3 Ų87.329%0.28747%0.471SS..Hα-helixtrans-65-46.8174.6-63.2163.4000109.9L122 L126 E134 R135 E136 K140 S141 V142L122-I138 HydrophobicContact CD1-CG2 4.23Å; L126-I138 HydrophobicContact CD2-CB 3.85Å; L126-I138 HydrophobicContact CD2-CD1 4.33Å; L126-I138 HydrophobicContact CD2-CG2 3.51Å; L126-I138 HydrophobicContact CG-CG2 4.23Å; E134-I138 VanDerWaalsContact O-CG1 3.29Å; E134-I138 WeakPolarHBondContact O-CG1 3.31Å; E134-I138 PolarHBondContact O-N 3.37Å; R135-I138 PolarHBondContact O-N 3.48Å; E136-I138 VanDerWaalsContact C-N 3.35Å; I138-K140 PolarHBondContact O-N 3.28Å; I138-S141 PolarHBondContact O-N 3.17Å; I138-V142 HydrophobicContact CG2-CG2 4.2Å; I138-V142 VanDerWaalsContact O-CG2 3.27Å; I138-V142 WeakPolarHBondContact O-CG2 3.37Å; I138-V142 PolarHBondContact O-N 2.88Å
139Q88.2Confident86.2Confident86 Ų8688.2 Ų88.240%0.40247%0.471SS..Hα-helixtrans-58-48.5177.4-75.6178.7-7.600111.9L126 R135 E136 S141 V142 T143L126-Q139 HydrophobicContact CD2-CG 4.49Å; R135-Q139 WeakPolarHBondContact O-CG 3.35Å; R135-Q139 PolarHBondContact O-N 3.25Å; E136-Q139 PolarHBondContact O-N 3.04Å; Q139-S141 VanDerWaalsContact C-N 3.29Å; Q139-S141 PolarHBondContact O-N 2.88Å; Q139-V142 PolarHBondContact O-N 2.89Å; Q139-T143 WeakPolarHBondContact O-CB 3.46Å; Q139-T143 PolarHBondContact O-N 2.96Å; Q139-T143 PolarHBondContact O-OG1 3.31Å; Q139-T143 VanDerWaalsContact O-OG1 3.07Å
140K90.3Very high84.7Confident131 Ų13193 Ų9357%0.5749%0.491SS*.Hα-helixtrans-58-41.9176.1-73.8166.3-175.9155.40111.5E136 I138 R144E136-K140 WeakPolarHBondContact O-CB 3.27Å; E136-K140 VanDerWaalsContact O-CG 3.26Å; E136-K140 WeakPolarHBondContact O-CG 3.37Å; E136-K140 PolarHBondContact O-N 2.85Å; E136-K140 IonicContact OE2-NZ 2.9Å; E136-K140 PolarHBondContact OE2-NZ 3.34Å; I138-K140 PolarHBondContact O-N 3.28Å; K140-R144 VanDerWaalsContact O-CB 3.26Å; K140-R144 WeakPolarHBondContact O-CB 3.5Å; K140-R144 PolarHBondContact O-N 3.14Å
141S89.2Confident83.2Confident71 Ų7192.8 Ų92.850%0.49748%0.48SS..Hα-helixtrans-67-40.9178.6-58.50000112.5A137 I138 Q139 S145A137-S141 WeakPolarHBondContact O-CB 3.44Å; A137-S141 PolarHBondContact O-N 3.31Å; A137-S141 PolarHBondContact O-OG 3.48Å; I138-S141 PolarHBondContact O-N 3.17Å; Q139-S141 VanDerWaalsContact C-N 3.29Å; Q139-S141 PolarHBondContact O-N 2.88Å; S141-S145 WeakPolarHBondContact O-CB 3.23Å; S141-S145 PolarHBondContact O-N 2.95Å; S141-S145 PolarHBondContact O-OG 3.2Å
142V86.8Confident81.5Confident50 Ų5095.7 Ų95.730%0.30349%0.491SS..Hα-helixtrans-66.6-49.1177.2172.70000110.2L122 I138 Q139 R144 S145 C146L122-V142 HydrophobicContact CD1-CG2 4.21Å; L122-V142 HydrophobicContact CD2-CG1 4.29Å; L122-V142 HydrophobicContact CD2-CG2 3.86Å; I138-V142 HydrophobicContact CG2-CG2 4.2Å; I138-V142 VanDerWaalsContact O-CG2 3.27Å; I138-V142 WeakPolarHBondContact O-CG2 3.37Å; I138-V142 PolarHBondContact O-N 2.88Å; Q139-V142 PolarHBondContact O-N 2.89Å; V142-R144 VanDerWaalsContact C-N 3.34Å; V142-R144 PolarHBondContact O-N 3.21Å; V142-S145 PolarHBondContact O-N 3.37Å; V142-S145 VanDerWaalsContact O-N 3.14Å; V142-C146 PolarHBondContact O-N 2.97Å; V142-C146 VanDerWaalsContact O-N 3.09Å; V142-C146 PolarHBondContact O-SG 3.26Å; V142-C146 VanDerWaalsContact O-SG 3.38Å
143T87.6Confident79.8Confident83 Ų8396.6 Ų96.651%0.50950%0.495SS..Hα-helixtrans-58.1-46.4177-59.30000111.2Q139 S145 C146 L147Q139-T143 WeakPolarHBondContact O-CB 3.46Å; Q139-T143 PolarHBondContact O-N 2.96Å; Q139-T143 PolarHBondContact O-OG1 3.31Å; Q139-T143 VanDerWaalsContact O-OG1 3.07Å; T143-S145 VanDerWaalsContact C-N 3.31Å; T143-S145 PolarHBondContact O-N 3.27Å; T143-C146 PolarHBondContact O-N 2.95Å; T143-L147 HydrophobicContact CG2-CD1 3.96Å; T143-L147 HydrophobicContact CG2-CG 4.46Å; T143-L147 WeakPolarHBondContact O-CG 3.23Å; T143-L147 PolarHBondContact O-N 2.86Å; T143-L147 VanDerWaalsContact O-N 3.11Å
144R89.1Confident78Confident178 Ų17898 Ų9867%0.67250%0.498SS*.Hα-helixtrans-57.2-44.3175.5-178.1-179179.4-177.40.5112K140 V142 C146 L147 L148K140-R144 VanDerWaalsContact O-CB 3.26Å; K140-R144 WeakPolarHBondContact O-CB 3.5Å; K140-R144 PolarHBondContact O-N 3.14Å; V142-R144 VanDerWaalsContact C-N 3.34Å; V142-R144 PolarHBondContact O-N 3.21Å; R144-C146 VanDerWaalsContact C-N 3.28Å; R144-C146 PolarHBondContact O-N 3.11Å; R144-L147 PolarHBondContact O-N 2.66Å; R144-L148 HydrophobicContact CG-CD1 4.42Å; R144-L148 WeakPolarHBondContact O-CG 3.42Å; R144-L148 PolarHBondContact O-N 3.1Å
145S84.5Confident76.4Confident73 Ų7394.4 Ų94.451%0.5149%0.493SS..Hα-helixtrans-65.5-31.6-179-550000112.6S141 V142 T143S141-S145 WeakPolarHBondContact O-CB 3.23Å; S141-S145 PolarHBondContact O-N 2.95Å; S141-S145 PolarHBondContact O-OG 3.2Å; V142-S145 PolarHBondContact O-N 3.37Å; V142-S145 VanDerWaalsContact O-N 3.14Å; T143-S145 VanDerWaalsContact C-N 3.31Å; T143-S145 PolarHBondContact O-N 3.27Å
146C81.7Confident74.7Confident72 Ų7296.7 Ų96.749%0.48651%0.507SS..Hα-helixtrans-75-34.2176-640000113V142 T143 R144V142-C146 PolarHBondContact O-N 2.97Å; V142-C146 VanDerWaalsContact O-N 3.09Å; V142-C146 PolarHBondContact O-SG 3.26Å; V142-C146 VanDerWaalsContact O-SG 3.38Å; T143-C146 PolarHBondContact O-N 2.95Å; R144-C146 VanDerWaalsContact C-N 3.28Å; R144-C146 PolarHBondContact O-N 3.11Å
147L81.9Confident73Confident84 Ų8498.9 Ų98.944%0.4452%0.518SS..Hα-helixtrans-76.7-28.9-178-66.9172.2000113.3T143 R144 E149 E150 E151T143-L147 HydrophobicContact CG2-CD1 3.96Å; T143-L147 HydrophobicContact CG2-CG 4.46Å; T143-L147 WeakPolarHBondContact O-CG 3.23Å; T143-L147 PolarHBondContact O-N 2.86Å; T143-L147 VanDerWaalsContact O-N 3.11Å; R144-L147 PolarHBondContact O-N 2.66Å; L147-E149 PolarHBondContact O-N 3.49Å; L147-E150 PolarHBondContact O-N 2.94Å; L147-E151 PolarHBondContact O-N 3.25Å
148L68.1Low71.5Confident77 Ų7799.2 Ų99.240%0.40352%0.52SS..Hα-helixtrans-61.9-29.2176.9-69.9171.1000112.4R144 E150 E151 E152R144-L148 HydrophobicContact CG-CD1 4.42Å; R144-L148 WeakPolarHBondContact O-CG 3.42Å; R144-L148 PolarHBondContact O-N 3.1Å; L148-E150 VanDerWaalsContact C-N 3.28Å; L148-E150 PolarHBondContact O-N 3.32Å; L148-E151 PolarHBondContact O-N 3.37Å; L148-E152 PolarHBondContact O-N 3.44Å
149E59.1Low70Confident134 Ų13499.3 Ų99.363%0.62653%0.529SS*.Hα-helixtrans-65.2-32.6175.5-62.8-177.9169.700111.3L147 E153L147-E149 PolarHBondContact O-N 3.49Å; E149-E153 WeakPolarHBondContact O-CG 3.27Å; E149-E153 PolarHBondContact O-N 3.06Å
150E58Low68.7Low127 Ų127102.4 Ų102.459%0.59354%0.544SS*.Hα-helixtrans-77.3-34.8-179.5-60.3179.7176.400112.3L147 L148 S154L147-E150 PolarHBondContact O-N 2.94Å; L148-E150 VanDerWaalsContact C-N 3.28Å; L148-E150 PolarHBondContact O-N 3.32Å; E150-S154 WeakPolarHBondContact O-CB 3.45Å; E150-S154 PolarHBondContact O-N 3.19Å; E150-S154 PolarHBondContact O-OG 3.3Å
151E57.3Low67.5Low133 Ų133100.1 Ų100.162%0.62155%0.55SS*.Hα-helixtrans-72.5-42.7179.1-70.4-177.7175.800112L147 L148 S154 G155L147-E151 PolarHBondContact O-N 3.25Å; L148-E151 PolarHBondContact O-N 3.37Å; E151-S154 PolarHBondContact O-N 3.03Å; E151-S154 PolarHBondContact O-OG 3.39Å; E151-G155 PolarHBondContact O-N 3.39Å
152E56.5Low66.2Low143 Ų143105 Ų10567%0.66857%0.567SS**Hα-helixtrans-65.8-42.9178.4-72.1-176.3173.600111.8L148 S154 G155 E156L148-E152 PolarHBondContact O-N 3.44Å; E152-S154 VanDerWaalsContact C-N 3.35Å; E152-S154 PolarHBondContact O-N 3.45Å; E152-G155 PolarHBondContact O-N 2.84Å; E152-E156 PolarHBondContact O-N 3.45Å
153E55.1Low64.5Low131 Ų131113.8 Ų113.861%0.61260%0.604SS**Hα-helixtrans-61-43.2174.7-75.3-177173.100111.3E149 G155 E156 E157E149-E153 WeakPolarHBondContact O-CG 3.27Å; E149-E153 PolarHBondContact O-N 3.06Å; E153-G155 VanDerWaalsContact C-N 3.28Å; E153-G155 PolarHBondContact O-N 3.36Å; E153-E156 PolarHBondContact O-N 3.21Å; E153-E157 WeakPolarHBondContact O-CB 3.45Å; E153-E157 WeakPolarHBondContact O-CG 3.28Å; E153-E157 PolarHBondContact O-N 2.68Å
154S53.7Low63.4Low70 Ų70115.3 Ų115.349%0.4961%0.609SS.*Hα-helixtrans-65.5-31.5177.3780000113.3E150 E151 E152 A158E150-S154 WeakPolarHBondContact O-CB 3.45Å; E150-S154 PolarHBondContact O-N 3.19Å; E150-S154 PolarHBondContact O-OG 3.3Å; E151-S154 PolarHBondContact O-N 3.03Å; E151-S154 PolarHBondContact O-OG 3.39Å; E152-S154 VanDerWaalsContact C-N 3.35Å; E152-S154 PolarHBondContact O-N 3.45Å; S154-A158 VanDerWaalsContact O-CB 3.28Å; S154-A158 WeakPolarHBondContact O-CB 3.1Å; S154-A158 PolarHBondContact O-N 2.92Å; S154-A158 VanDerWaalsContact O-N 3.15Å
155G55.9Low62Low42 Ų42112 Ų11243%0.43361%0.606SS.*Hα-helixtrans-75.3-39.7178.600000112.8E151 E152 E153 A159E151-G155 PolarHBondContact O-N 3.39Å; E152-G155 PolarHBondContact O-N 2.84Å; E153-G155 VanDerWaalsContact C-N 3.28Å; E153-G155 PolarHBondContact O-N 3.36Å; G155-A159 WeakPolarHBondContact O-CB 3.29Å; G155-A159 PolarHBondContact O-N 3.14Å
156E55.6Low60.8Low142 Ų142114.2 Ų114.266%0.66461%0.611SS**Hα-helixtrans-69-43.5174.9-74.1-171.9164.700111.4E152 E153 A158 A159 E160E152-E156 PolarHBondContact O-N 3.45Å; E153-E156 PolarHBondContact O-N 3.21Å; E156-A158 VanDerWaalsContact C-N 3.29Å; E156-A158 PolarHBondContact O-N 3.33Å; E156-A159 PolarHBondContact O-N 2.96Å; E156-A159 VanDerWaalsContact O-N 3.12Å; E156-E160 PolarHBondContact O-N 2.68Å
157E55.8Low59.5Low143 Ų143116.6 Ų116.667%0.66862%0.618SS**Hα-helixtrans-61.4-37.8174.9-73.7-173.2169.500112.1E153 A161E153-E157 WeakPolarHBondContact O-CB 3.45Å; E153-E157 WeakPolarHBondContact O-CG 3.28Å; E153-E157 PolarHBondContact O-N 2.68Å; E157-A161 WeakPolarHBondContact O-CB 3.32Å; E157-A161 PolarHBondContact O-N 3.47Å; E157-A161 VanDerWaalsContact O-N 3.11Å
158A57.9Low58.1Low57 Ų57118.7 Ų118.747%0.47163%0.63SS.*Hα-helixtrans-69-32.9175.300000112.8S154 E156 M162S154-A158 VanDerWaalsContact O-CB 3.28Å; S154-A158 WeakPolarHBondContact O-CB 3.1Å; S154-A158 PolarHBondContact O-N 2.92Å; S154-A158 VanDerWaalsContact O-N 3.15Å; E156-A158 VanDerWaalsContact C-N 3.29Å; E156-A158 PolarHBondContact O-N 3.33Å; A158-M162 WeakPolarHBondContact O-CG 3.21Å
159A57.9Low57.5Low58 Ų58121.5 Ų121.548%0.47965%0.645SS.*Hα-helixtrans-73.3-43.5176.800000111.9G155 E156 A161 M162G155-A159 WeakPolarHBondContact O-CB 3.29Å; G155-A159 PolarHBondContact O-N 3.14Å; E156-A159 PolarHBondContact O-N 2.96Å; E156-A159 VanDerWaalsContact O-N 3.12Å; A159-A161 VanDerWaalsContact C-N 3.3Å; A159-A161 PolarHBondContact O-N 3.48Å; A159-M162 PolarHBondContact O-N 2.84Å
160E61.5Low57.4Low151 Ų151120.6 Ų120.671%0.70665%0.646SS**Hα-helixtrans-65.8-31.7176.4-72.3-169.2165.400112.5E156 M162E156-E160 PolarHBondContact O-N 2.68Å; E160-M162 PolarHBondContact O-N 3.13Å
161A63.8Low57.3Low84 Ų84120.1 Ų120.169%0.69465%0.65SS**THydrogen-bonded Turntrans-72.5-12.7176.100000114E157 A159E157-A161 WeakPolarHBondContact O-CB 3.32Å; E157-A161 PolarHBondContact O-N 3.47Å; E157-A161 VanDerWaalsContact O-N 3.11Å; A159-A161 VanDerWaalsContact C-N 3.3Å; A159-A161 PolarHBondContact O-N 3.48Å
162M63.1Low57.3Low172 Ų172119 Ų11985%0.84765%0.653SS**THydrogen-bonded Turntrans-97-10.4178.5-72.7-170.969.200114A158 A159 E160A158-M162 WeakPolarHBondContact O-CG 3.21Å; A159-M162 PolarHBondContact O-N 2.84Å; E160-M162 PolarHBondContact O-N 3.13Å
163E51Low57.4Low235 Ų235116.8 Ų116.8100%1.09865%0.651SS**  trans-89.90171.7-76.5-167.5153.900112.7

Retrieved 163 of 163 residues in 232.6 ms (Link to these results)

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