A0A077ZJU6_TRITR Loading...

DUF4371 domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZJU6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 149 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M58.7Low78.5Confident148 Ų14890.8 Ų90.873%0.72950%0.5SS*.  0126.80-95.2-178.475.900108V5 L6M1-V5 HydrophobicContact CE-CB 3.66Å; M1-V5 HydrophobicContact CE-CG1 3.44Å; M1-V5 VanDerWaalsContact CE-CG1 3.44Å; M1-L6 HydrophobicContact CB-CG 4.34Å; M1-L6 HydrophobicContact CE-CB 4.4Å; M1-L6 HydrophobicContact CE-CD2 3.42Å; M1-L6 VanDerWaalsContact CE-CD2 3.42Å; M1-L6 HydrophobicContact CE-CG 3.59Å; M1-L6 HydrophobicContact SD-CD2 3.71Å; M1-L6 HydrophobicContact SD-CG 4.23Å
2P65.5Low78.9Confident85 Ų8592.1 Ų92.155%0.55250%0.5SS*.  trans-57138.2170.2-21.233.1000110.1I4 V5P2-I4 HydrophobicContact CB-CG2 3.91Å; P2-I4 PolarHBondContact O-N 2.92Å; P2-I4 VanDerWaalsContact O-N 3.11Å; P2-V5 HydrophobicContact CB-CG2 4.23Å; P2-V5 HydrophobicContact CG-CG2 4.25Å; P2-V5 PolarHBondContact O-N 3.19Å
3A74.1Confident79.4Confident56 Ų5691.5 Ų91.546%0.46350%0.497SS..Hα-helixtrans-52.1-37-177.300000112.7V5 L6 E7 A14A3-V5 VanDerWaalsContact C-N 3.27Å; A3-V5 PolarHBondContact O-N 2.96Å; A3-L6 WeakPolarHBondContact O-CB 3.49Å; A3-L6 PolarHBondContact O-N 2.83Å; A3-L6 VanDerWaalsContact O-N 3.13Å; A3-E7 PolarHBondContact O-N 3.12Å; A3-E7 VanDerWaalsContact O-N 3.14Å; A3-A14 HydrophobicContact CB-CB 3.77Å
4I78Confident79.6Confident119 Ų11985.5 Ų85.561%0.6147%0.465SS*.Hα-helixtrans-57.9-34.7177.1-167.2163.5000113.6P2 T8P2-I4 HydrophobicContact CB-CG2 3.91Å; P2-I4 PolarHBondContact O-N 2.92Å; P2-I4 VanDerWaalsContact O-N 3.11Å; I4-T8 VanDerWaalsContact O-CB 3.24Å; I4-T8 WeakPolarHBondContact O-CB 3.23Å; I4-T8 PolarHBondContact O-N 3.33Å; I4-T8 PolarHBondContact O-OG1 3.01Å
5V81.3Confident79.8Confident58 Ų5889.5 Ų89.535%0.35247%0.472SS..Hα-helixtrans-72.2-37.8179.7-173.30000110.2M1 P2 A3 V9M1-V5 HydrophobicContact CE-CB 3.66Å; M1-V5 HydrophobicContact CE-CG1 3.44Å; M1-V5 VanDerWaalsContact CE-CG1 3.44Å; P2-V5 HydrophobicContact CB-CG2 4.23Å; P2-V5 HydrophobicContact CG-CG2 4.25Å; P2-V5 PolarHBondContact O-N 3.19Å; A3-V5 VanDerWaalsContact C-N 3.27Å; A3-V5 PolarHBondContact O-N 2.96Å; V5-V9 HydrophobicContact CG1-CG2 3.88Å; V5-V9 WeakPolarHBondContact O-CB 3.39Å; V5-V9 VanDerWaalsContact O-CG2 3.28Å; V5-V9 WeakPolarHBondContact O-CG2 3.29Å; V5-V9 PolarHBondContact O-N 3.25Å
6L80.7Confident80Confident4 Ų488.6 Ų88.62%0.02147%0.468CS..Hα-helixtrans-63.8-47.3177.3-69.4165.6000110.9M1 A3 L10 A14 V17 T18M1-L6 HydrophobicContact CB-CG 4.34Å; M1-L6 HydrophobicContact CE-CB 4.4Å; M1-L6 HydrophobicContact CE-CD2 3.42Å; M1-L6 VanDerWaalsContact CE-CD2 3.42Å; M1-L6 HydrophobicContact CE-CG 3.59Å; M1-L6 HydrophobicContact SD-CD2 3.71Å; M1-L6 HydrophobicContact SD-CG 4.23Å; A3-L6 WeakPolarHBondContact O-CB 3.49Å; A3-L6 PolarHBondContact O-N 2.83Å; A3-L6 VanDerWaalsContact O-N 3.13Å; L6-L10 HydrophobicContact CD2-CD1 3.65Å; L6-L10 WeakPolarHBondContact O-CA 3.46Å; L6-L10 VanDerWaalsContact O-CB 3.23Å; L6-L10 WeakPolarHBondContact O-CB 3.3Å; L6-L10 PolarHBondContact O-N 3.19Å; L6-A14 HydrophobicContact CB-CB 4.12Å; L6-A14 HydrophobicContact CD1-CB 4.08Å; L6-V17 HydrophobicContact CD2-CB 4.28Å; L6-V17 HydrophobicContact CD2-CG1 3.75Å; L6-T18 HydrophobicContact CD1-CG2 3.57Å
7E84.4Confident80.2Confident95 Ų9584.3 Ų84.344%0.44445%0.446SS..Hα-helixtrans-68.3-41.3-178.6-72.4173.2-177.200112.4A3 H11 Q12 A14A3-E7 PolarHBondContact O-N 3.12Å; A3-E7 VanDerWaalsContact O-N 3.14Å; E7-H11 VanDerWaalsContact O-CA 3.3Å; E7-H11 WeakPolarHBondContact O-CA 3.46Å; E7-H11 PolarHBondContact O-N 3.18Å; E7-Q12 WeakPolarHBondContact CA-O 3.44Å; E7-Q12 WeakPolarHBondContact CG-O 3.45Å; E7-A14 HydrophobicContact CG-CB 4.06Å
8T86.7Confident80.2Confident91 Ų9183.5 Ų83.556%0.55845%0.445SS*.Hα-helixtrans-73.5-41.5-177.4-51.30000112.1I4 H11I4-T8 VanDerWaalsContact O-CB 3.24Å; I4-T8 WeakPolarHBondContact O-CB 3.23Å; I4-T8 PolarHBondContact O-N 3.33Å; I4-T8 PolarHBondContact O-OG1 3.01Å; T8-H11 PolarHBondContact O-CE1 2.94Å
9V86.7Confident80.2Confident98 Ų9888.1 Ų88.159%0.59446%0.455SS*.Hα-helixtrans-89.4-39.4-172.91800000112.3V5V5-V9 HydrophobicContact CG1-CG2 3.88Å; V5-V9 WeakPolarHBondContact O-CB 3.39Å; V5-V9 VanDerWaalsContact O-CG2 3.28Å; V5-V9 WeakPolarHBondContact O-CG2 3.29Å; V5-V9 PolarHBondContact O-N 3.25Å
10L83.1Confident80.3Confident79 Ų7991.2 Ų91.241%0.41447%0.465SS..Hα-helixtrans-95.5-9.4-176.3-55.5176.1000112.9L6 Q12 V17L6-L10 HydrophobicContact CD2-CD1 3.65Å; L6-L10 WeakPolarHBondContact O-CA 3.46Å; L6-L10 VanDerWaalsContact O-CB 3.23Å; L6-L10 WeakPolarHBondContact O-CB 3.3Å; L6-L10 PolarHBondContact O-N 3.19Å; L10-Q12 HydrophobicContact CB-CB 4.31Å; L10-Q12 WeakPolarHBondContact O-CG 3.5Å; L10-Q12 PolarHBondContact O-N 3.37Å; L10-Q12 VanDerWaalsContact O-N 3.11Å; L10-V17 HydrophobicContact CD1-CG1 4Å; L10-V17 HydrophobicContact CD1-CG2 4.33Å
11H84Confident80.3Confident166 Ų16690.6 Ų90.677%0.76946%0.463SS*.  trans51.431.5-172.8-54.6-57.6000112.8E7 T8E7-H11 VanDerWaalsContact O-CA 3.3Å; E7-H11 WeakPolarHBondContact O-CA 3.46Å; E7-H11 PolarHBondContact O-N 3.18Å; T8-H11 PolarHBondContact O-CE1 2.94Å
12Q83.2Confident81.2Confident106 Ų10689.5 Ų89.550%0.49547%0.466SS..SBendtrans-124.4146.6-179.1-73.7176.523.900109.2E7 L10 A14 V17E7-Q12 WeakPolarHBondContact CA-O 3.44Å; E7-Q12 WeakPolarHBondContact CG-O 3.45Å; L10-Q12 HydrophobicContact CB-CB 4.31Å; L10-Q12 WeakPolarHBondContact O-CG 3.5Å; L10-Q12 PolarHBondContact O-N 3.37Å; L10-Q12 VanDerWaalsContact O-N 3.11Å; Q12-A14 PolarHBondContact O-N 3.28Å; Q12-V17 HydrophobicContact CB-CG2 3.53Å; Q12-V17 HydrophobicContact CG-CG2 4.48Å
13N85.4Confident82.1Confident85 Ų8589 Ų8946%0.45546%0.459SS..  trans-57.4128.4175.2-177-72000110.1Y15 D16 V17N13-Y15 PolarHBondContact O-N 2.98Å; N13-Y15 WeakPolarHBondContact OD1-CA 3.4Å; N13-Y15 WeakPolarHBondContact OD1-CB 3.35Å; N13-Y15 PolarHBondContact OD1-N 3.3Å; N13-D16 HydrophobicContact CB-CB 4.43Å; N13-D16 PolarHBondContact O-N 3.41Å; N13-D16 VanDerWaalsContact O-N 3.16Å; N13-V17 PolarHBondContact O-N 3.19Å
14A82.5Confident82.7Confident7 Ų789 Ų896%0.05846%0.455CS..Hα-helixtrans-58.8-34.5-174.900000112.8A3 L6 E7 Q12 V17 T18A3-A14 HydrophobicContact CB-CB 3.77Å; L6-A14 HydrophobicContact CB-CB 4.12Å; L6-A14 HydrophobicContact CD1-CB 4.08Å; E7-A14 HydrophobicContact CG-CB 4.06Å; Q12-A14 PolarHBondContact O-N 3.28Å; A14-V17 PolarHBondContact O-N 3.2Å; A14-T18 WeakPolarHBondContact O-CB 3.29Å; A14-T18 VanDerWaalsContact O-CG2 3.26Å; A14-T18 WeakPolarHBondContact O-CG2 3.3Å; A14-T18 PolarHBondContact O-N 2.85Å; A14-T18 PolarHBondContact O-OG1 3.01Å
15Y82.7Confident83.2Confident145 Ų14590.1 Ų90.157%0.56946%0.462SS*.Hα-helixtrans-64.9-46.6178.2179.6-94.8000111.7N13 V17 T18 R19N13-Y15 PolarHBondContact O-N 2.98Å; N13-Y15 WeakPolarHBondContact OD1-CA 3.4Å; N13-Y15 WeakPolarHBondContact OD1-CB 3.35Å; N13-Y15 PolarHBondContact OD1-N 3.3Å; Y15-V17 VanDerWaalsContact C-N 3.28Å; Y15-V17 PolarHBondContact O-N 3.22Å; Y15-T18 WeakPolarHBondContact CA-OG1 3.47Å; Y15-T18 PolarHBondContact O-N 3.03Å; Y15-T18 PolarHBondContact O-OG1 3.36Å; Y15-T18 VanDerWaalsContact O-OG1 3.07Å; Y15-R19 WeakPolarHBondContact O-CB 3.32Å; Y15-R19 PolarHBondContact O-N 3.45Å
16D83.7Confident83.8Confident75 Ų7593.4 Ų93.440%0.40148%0.478SS..Hα-helixtrans-63.9-35.8179.8-73.4-31.7000112.3N13 K20N13-D16 HydrophobicContact CB-CB 4.43Å; N13-D16 PolarHBondContact O-N 3.41Å; N13-D16 VanDerWaalsContact O-N 3.16Å; D16-K20 WeakPolarHBondContact O-CD 3.37Å; D16-K20 VanDerWaalsContact O-CG 3.3Å; D16-K20 WeakPolarHBondContact O-CG 2.79Å
17V82.5Confident84.3Confident16 Ų1694.9 Ų94.910%0.09749%0.487CS..Hα-helixtrans-72.5-52.5176.5-176.70000110.6L6 L10 Q12 N13 A14 Y15 R19 K20 I21L6-V17 HydrophobicContact CD2-CB 4.28Å; L6-V17 HydrophobicContact CD2-CG1 3.75Å; L10-V17 HydrophobicContact CD1-CG1 4Å; L10-V17 HydrophobicContact CD1-CG2 4.33Å; Q12-V17 HydrophobicContact CB-CG2 3.53Å; Q12-V17 HydrophobicContact CG-CG2 4.48Å; N13-V17 PolarHBondContact O-N 3.19Å; A14-V17 PolarHBondContact O-N 3.2Å; Y15-V17 VanDerWaalsContact C-N 3.28Å; Y15-V17 PolarHBondContact O-N 3.22Å; V17-R19 VanDerWaalsContact C-N 3.3Å; V17-R19 PolarHBondContact O-N 3.47Å; V17-K20 WeakPolarHBondContact O-CB 3.23Å; V17-K20 PolarHBondContact O-N 2.97Å; V17-I21 WeakPolarHBondContact O-CG1 3.44Å; V17-I21 PolarHBondContact O-N 2.91Å
18T79.8Confident84.6Confident70 Ų7093.3 Ų93.343%0.42948%0.484SS..Hα-helixtrans-58.5-39.9-176.747.70000112.5L6 A14 Y15 K20 I21L6-T18 HydrophobicContact CD1-CG2 3.57Å; A14-T18 WeakPolarHBondContact O-CB 3.29Å; A14-T18 VanDerWaalsContact O-CG2 3.26Å; A14-T18 WeakPolarHBondContact O-CG2 3.3Å; A14-T18 PolarHBondContact O-N 2.85Å; A14-T18 PolarHBondContact O-OG1 3.01Å; Y15-T18 WeakPolarHBondContact CA-OG1 3.47Å; Y15-T18 PolarHBondContact O-N 3.03Å; Y15-T18 PolarHBondContact O-OG1 3.36Å; Y15-T18 VanDerWaalsContact O-OG1 3.07Å; T18-K20 PolarHBondContact O-N 3.43Å; T18-I21 PolarHBondContact O-N 2.98Å
19R81Confident85Confident170 Ų17093.7 Ų93.764%0.64248%0.48SS*.Hα-helixtrans-64.6-25.2176.6-163.2-178.474.7-165.8-0.7113.5Y15 V17Y15-R19 WeakPolarHBondContact O-CB 3.32Å; Y15-R19 PolarHBondContact O-N 3.45Å; V17-R19 VanDerWaalsContact C-N 3.3Å; V17-R19 PolarHBondContact O-N 3.47Å
20K82.8Confident85.4Confident150 Ų15096.9 Ų96.965%0.65248%0.481SS*.Hα-helixtrans-85-13.1177.9-71.6174.9-175.3174.80113.4D16 V17 T18 P22D16-K20 WeakPolarHBondContact O-CD 3.37Å; D16-K20 VanDerWaalsContact O-CG 3.3Å; D16-K20 WeakPolarHBondContact O-CG 2.79Å; V17-K20 WeakPolarHBondContact O-CB 3.23Å; V17-K20 PolarHBondContact O-N 2.97Å; T18-K20 PolarHBondContact O-N 3.43Å; K20-P22 VanDerWaalsContact O-CD 3.23Å; K20-P22 WeakPolarHBondContact O-CD 3.41Å
21I80Confident85.9Confident80 Ų80100.2 Ų100.241%0.4149%0.488SS..SBendtrans-80.7112.2178.6-52.3176.8000108V17 T18 L23V17-I21 WeakPolarHBondContact O-CG1 3.44Å; V17-I21 PolarHBondContact O-N 2.91Å; T18-I21 PolarHBondContact O-N 2.98Å; I21-L23 VanDerWaalsContact C-N 3.35Å; I21-L23 HydrophobicContact CG2-CD1 3.83Å; I21-L23 HydrophobicContact CG2-CG 3.77Å; I21-L23 PolarHBondContact O-N 3.2Å
22P76.8Confident86.5Confident124 Ų12496.7 Ų96.781%0.80547%0.474SS*.  trans-78.586.8178.833.1-32.5000109.2K20K20-P22 VanDerWaalsContact O-CD 3.23Å; K20-P22 WeakPolarHBondContact O-CD 3.41Å
23L84.1Confident87.1Confident75 Ų7595.5 Ų95.539%0.39347%0.471SS..  trans-113.3119.1169.4-69.6170.8000108.8I21 T27 V28I21-L23 VanDerWaalsContact C-N 3.35Å; I21-L23 HydrophobicContact CG2-CD1 3.83Å; I21-L23 HydrophobicContact CG2-CG 3.77Å; I21-L23 PolarHBondContact O-N 3.2Å; L23-T27 HydrophobicContact CD2-CG2 3.8Å; L23-V28 HydrophobicContact CB-CG2 4.03Å; L23-V28 HydrophobicContact CD1-CG2 4.46Å
24S86.8Confident87.6Confident56 Ų5695.7 Ų95.739%0.39248%0.475SS..  trans-70.9154.4168.265.40000110.3D26 T27 V28S24-D26 PolarHBondContact O-N 2.88Å; S24-T27 WeakPolarHBondContact O-CB 3.42Å; S24-T27 PolarHBondContact O-N 2.74Å; S24-T27 PolarHBondContact OG-N 2.98Å; S24-T27 PolarHBondContact OG-OG1 3.41Å; S24-V28 PolarHBondContact O-N 2.76Å; S24-V28 VanDerWaalsContact O-N 3.12Å
25N90.1Very high88.3Confident142 Ų142101.7 Ų101.776%0.75950%0.503SS*.Hα-helixtrans-52.7-41.3172.2-68.6-10.2000111T27 V28 Q29N25-T27 VanDerWaalsContact C-N 3.3Å; N25-T27 PolarHBondContact O-N 3.07Å; N25-V28 PolarHBondContact O-N 3.5Å; N25-Q29 WeakPolarHBondContact O-CB 3.43Å; N25-Q29 PolarHBondContact O-N 3.5Å
26D92.6Very high88.8Confident127 Ų12797.3 Ų97.368%0.67950%0.498SS*.Hα-helixtrans-60.3-38.2177.4-50.1-21.6000112.8S24 R30S24-D26 PolarHBondContact O-N 2.88Å; D26-R30 VanDerWaalsContact O-CB 3.29Å; D26-R30 WeakPolarHBondContact O-CB 3.36Å; D26-R30 PolarHBondContact O-N 3.02Å
27T91Very high89.4Confident35 Ų3599.7 Ų99.722%0.21550%0.504CS..Hα-helixtrans-69.9-40.1178.6-59.70000111.1L23 S24 N25 R31L23-T27 HydrophobicContact CD2-CG2 3.8Å; S24-T27 WeakPolarHBondContact O-CB 3.42Å; S24-T27 PolarHBondContact O-N 2.74Å; S24-T27 PolarHBondContact OG-N 2.98Å; S24-T27 PolarHBondContact OG-OG1 3.41Å; N25-T27 VanDerWaalsContact C-N 3.3Å; N25-T27 PolarHBondContact O-N 3.07Å; T27-R31 WeakPolarHBondContact O-CG 3.5Å; T27-R31 PolarHBondContact O-N 3.16Å
28V91.1Very high90Very high62 Ų62103.7 Ų103.738%0.37653%0.525SS..Hα-helixtrans-65.7-49176.5176.80000109.9L23 S24 N25 R30 R31 I32L23-V28 HydrophobicContact CB-CG2 4.03Å; L23-V28 HydrophobicContact CD1-CG2 4.46Å; S24-V28 PolarHBondContact O-N 2.76Å; S24-V28 VanDerWaalsContact O-N 3.12Å; N25-V28 PolarHBondContact O-N 3.5Å; V28-R30 PolarHBondContact O-N 3.2Å; V28-R31 PolarHBondContact O-N 2.91Å; V28-I32 HydrophobicContact CG1-CD1 3.86Å; V28-I32 WeakPolarHBondContact O-CG1 3.26Å; V28-I32 PolarHBondContact O-N 2.9Å
29Q94.4Very high90.6Very high100 Ų100104 Ų10447%0.46753%0.527SS..Hα-helixtrans-55.5-52.9177.6-174.461.354.800111.2N25 R31 I32 D33N25-Q29 WeakPolarHBondContact O-CB 3.43Å; N25-Q29 PolarHBondContact O-N 3.5Å; Q29-R31 VanDerWaalsContact C-N 3.26Å; Q29-R31 PolarHBondContact O-N 3.2Å; Q29-I32 WeakPolarHBondContact O-CA 3.49Å; Q29-I32 WeakPolarHBondContact O-CB 3.37Å; Q29-I32 PolarHBondContact O-N 3.36Å; Q29-D33 PolarHBondContact NE2-OD1 3.11Å; Q29-D33 PolarHBondContact NE2-OD2 2.82Å; Q29-D33 VanDerWaalsContact O-CG 3.26Å; Q29-D33 PolarHBondContact O-N 3.49Å
30R95Very high91.3Very high164 Ų16498.2 Ų98.262%0.61951%0.507SS*.Hα-helixtrans-57.6-37.5180-174.9177.463.9157.9-1.5113D26 V28 T34D26-R30 VanDerWaalsContact O-CB 3.29Å; D26-R30 WeakPolarHBondContact O-CB 3.36Å; D26-R30 PolarHBondContact O-N 3.02Å; V28-R30 PolarHBondContact O-N 3.2Å; R30-T34 VanDerWaalsContact O-CB 3.3Å; R30-T34 WeakPolarHBondContact O-CB 3.21Å; R30-T34 PolarHBondContact O-N 3.14Å; R30-T34 PolarHBondContact O-OG1 2.98Å
31R95.1Very high91.8Very high149 Ų14995.3 Ų95.356%0.56250%0.496SS*.Hα-helixtrans-68.6-42.4176.8-75.6177.8178.1-174.81111.5T27 V28 Q29 T34 M35T27-R31 WeakPolarHBondContact O-CG 3.5Å; T27-R31 PolarHBondContact O-N 3.16Å; V28-R31 PolarHBondContact O-N 2.91Å; Q29-R31 VanDerWaalsContact C-N 3.26Å; Q29-R31 PolarHBondContact O-N 3.2Å; R31-T34 PolarHBondContact O-N 2.95Å; R31-M35 WeakPolarHBondContact O-CB 3.47Å; R31-M35 WeakPolarHBondContact O-CG 3.48Å; R31-M35 PolarHBondContact O-N 3.21Å
32I95.8Very high92.5Very high93 Ų9394.9 Ų94.948%0.47750%0.497SS..Hα-helixtrans-60.2-49.9174.7-67.1168.2000109.7V28 Q29 T34 M35 A36V28-I32 HydrophobicContact CG1-CD1 3.86Å; V28-I32 WeakPolarHBondContact O-CG1 3.26Å; V28-I32 PolarHBondContact O-N 2.9Å; Q29-I32 WeakPolarHBondContact O-CA 3.49Å; Q29-I32 WeakPolarHBondContact O-CB 3.37Å; Q29-I32 PolarHBondContact O-N 3.36Å; I32-T34 VanDerWaalsContact C-N 3.31Å; I32-T34 PolarHBondContact O-N 3.13Å; I32-M35 PolarHBondContact O-N 3.36Å; I32-A36 WeakPolarHBondContact O-CB 3.3Å; I32-A36 PolarHBondContact O-N 2.82Å
33D95.9Very high93.4Very high81 Ų8189.6 Ų89.643%0.43346%0.462SS..Hα-helixtrans-60.8-41.4-179.6-62.3-24.1000112Q29 A36 K37Q29-D33 PolarHBondContact NE2-OD1 3.11Å; Q29-D33 PolarHBondContact NE2-OD2 2.82Å; Q29-D33 VanDerWaalsContact O-CG 3.26Å; Q29-D33 PolarHBondContact O-N 3.49Å; D33-A36 PolarHBondContact O-N 2.76Å; D33-K37 VanDerWaalsContact O-CB 3.29Å; D33-K37 WeakPolarHBondContact O-CB 3.28Å; D33-K37 PolarHBondContact O-N 3.3Å
34T96.6Very high93.8Very high89 Ų8986 Ų8655%0.54644%0.443SS..Hα-helixtrans-65-44178-61.50000111.1R30 R31 I32 D38R30-T34 VanDerWaalsContact O-CB 3.3Å; R30-T34 WeakPolarHBondContact O-CB 3.21Å; R30-T34 PolarHBondContact O-N 3.14Å; R30-T34 PolarHBondContact O-OG1 2.98Å; R31-T34 PolarHBondContact O-N 2.95Å; I32-T34 VanDerWaalsContact C-N 3.31Å; I32-T34 PolarHBondContact O-N 3.13Å; T34-D38 WeakPolarHBondContact O-CB 2.81Å; T34-D38 PolarHBondContact O-N 3.45Å
35M96.3Very high94.2Very high132 Ų13286.5 Ų86.565%0.6545%0.445SS*.Hα-helixtrans-66.9-39.6176.9-73.5177.759.600112.3R31 I32 T39R31-M35 WeakPolarHBondContact O-CB 3.47Å; R31-M35 WeakPolarHBondContact O-CG 3.48Å; R31-M35 PolarHBondContact O-N 3.21Å; I32-M35 PolarHBondContact O-N 3.36Å; M35-T39 WeakPolarHBondContact O-CB 3.37Å; M35-T39 PolarHBondContact O-N 2.7Å; M35-T39 PolarHBondContact O-OG1 3.46Å
36A94.5Very high94.5Very high54 Ų5481.2 Ų81.245%0.44642%0.417SS..Hα-helixtrans-62.1-48.7176.600000110.5I32 D33 D38 T39 E40I32-A36 WeakPolarHBondContact O-CB 3.3Å; I32-A36 PolarHBondContact O-N 2.82Å; D33-A36 PolarHBondContact O-N 2.76Å; A36-D38 PolarHBondContact O-N 3.4Å; A36-T39 PolarHBondContact O-N 3.36Å; A36-E40 WeakPolarHBondContact O-CB 3.34Å; A36-E40 PolarHBondContact O-N 3.29Å
37K94.6Very high94.5Very high124 Ų12475.2 Ų75.254%0.53939%0.385SS..Hα-helixtrans-60.3-46.1177-178174.1176175.30112.6D33 T39 E40 E41D33-K37 VanDerWaalsContact O-CB 3.29Å; D33-K37 WeakPolarHBondContact O-CB 3.28Å; D33-K37 PolarHBondContact O-N 3.3Å; K37-T39 VanDerWaalsContact C-N 3.33Å; K37-T39 PolarHBondContact O-N 2.88Å; K37-E40 PolarHBondContact O-N 2.98Å; K37-E41 WeakPolarHBondContact CE-OE1 3.32Å; K37-E41 HydrophobicContact CG-CG 4.37Å; K37-E41 IonicContact NZ-OE1 3.8Å; K37-E41 WeakPolarHBondContact O-CB 3.29Å; K37-E41 WeakPolarHBondContact O-CG 3.33Å; K37-E41 PolarHBondContact O-N 3.05Å
38D95.5Very high94.7Very high100 Ų10079 Ų7954%0.53540%0.395SS..Hα-helixtrans-61.6-41.6177.6-179.674.4000112T34 A36 T42T34-D38 WeakPolarHBondContact O-CB 2.81Å; T34-D38 PolarHBondContact O-N 3.45Å; A36-D38 PolarHBondContact O-N 3.4Å; D38-T42 VanDerWaalsContact O-CB 3.24Å; D38-T42 WeakPolarHBondContact O-CB 3.37Å; D38-T42 PolarHBondContact O-N 3.01Å; D38-T42 PolarHBondContact O-OG1 3.26Å
39T93.6Very high94.9Very high76 Ų7683.5 Ų83.547%0.46641%0.412SS..Hα-helixtrans-64.5-47.4176.6-57.90000111.2M35 A36 K37 T42 F43M35-T39 WeakPolarHBondContact O-CB 3.37Å; M35-T39 PolarHBondContact O-N 2.7Å; M35-T39 PolarHBondContact O-OG1 3.46Å; A36-T39 PolarHBondContact O-N 3.36Å; K37-T39 VanDerWaalsContact C-N 3.33Å; K37-T39 PolarHBondContact O-N 2.88Å; T39-T42 PolarHBondContact O-N 3.08Å; T39-F43 WeakPolarHBondContact O-CB 3.36Å; T39-F43 PolarHBondContact O-N 3.39Å
40E93.9Very high94.9Very high49 Ų4981.8 Ų81.823%0.22940%0.403CS..Hα-helixtrans-59.9-51.1176.9167.6174.1178.500111.6A36 K37 T42 F43 C44 F85 K109A36-E40 WeakPolarHBondContact O-CB 3.34Å; A36-E40 PolarHBondContact O-N 3.29Å; K37-E40 PolarHBondContact O-N 2.98Å; E40-T42 VanDerWaalsContact C-N 3.34Å; E40-T42 PolarHBondContact O-N 2.86Å; E40-F43 PolarHBondContact O-N 2.78Å; E40-C44 VanDerWaalsContact O-CB 3.32Å; E40-C44 WeakPolarHBondContact O-CB 3.43Å; E40-C44 PolarHBondContact O-N 2.86Å; E40-C44 PolarHBondContact O-SG 3.12Å; E40-F85 HydrophobicContact CB-CE1 4.22Å; E40-F85 HydrophobicContact CG-CE1 3.78Å; E40-F85 HydrophobicContact CG-CZ 4.47Å; E40-K109 WeakPolarHBondContact OE1-CE 3.08Å; E40-K109 IonicContact OE1-NZ 2.7Å; E40-K109 PolarHBondContact OE1-NZ 2.81Å
41E94.5Very high94.9Very high90 Ų9080.5 Ų80.542%0.42140%0.404SS..Hα-helixtrans-60.6-44.1179.4-75.1179.1179.200111.5K37 F43 C44 C45K37-E41 WeakPolarHBondContact CE-OE1 3.32Å; K37-E41 HydrophobicContact CG-CG 4.37Å; K37-E41 IonicContact NZ-OE1 3.8Å; K37-E41 WeakPolarHBondContact O-CB 3.29Å; K37-E41 WeakPolarHBondContact O-CG 3.33Å; K37-E41 PolarHBondContact O-N 3.05Å; E41-F43 PolarHBondContact O-N 3.33Å; E41-C44 PolarHBondContact O-N 3.32Å; E41-C45 WeakPolarHBondContact O-CB 3.38Å; E41-C45 PolarHBondContact O-N 2.87Å; E41-C45 PolarHBondContact O-SG 3.31Å
42T94.7Very high94.9Very high71 Ų7173.4 Ų73.444%0.43638%0.377SS..Hα-helixtrans-61.2-44.9177-63.80000111.5D38 T39 E40 M46D38-T42 VanDerWaalsContact O-CB 3.24Å; D38-T42 WeakPolarHBondContact O-CB 3.37Å; D38-T42 PolarHBondContact O-N 3.01Å; D38-T42 PolarHBondContact O-OG1 3.26Å; T39-T42 PolarHBondContact O-N 3.08Å; E40-T42 VanDerWaalsContact C-N 3.34Å; E40-T42 PolarHBondContact O-N 2.86Å; T42-M46 HydrophobicContact CG2-CE 4.26Å; T42-M46 WeakPolarHBondContact O-CG 3.24Å; T42-M46 PolarHBondContact O-N 3.24Å
43F94.4Very high94.9Very high12 Ų1271.1 Ų71.15%0.05337%0.369CS..Hα-helixtrans-66.3-48.2179.1-164.3-87.4000111.6T39 E40 E41 C45 M46 L47 V72 F74 F81 E82 L83T39-F43 WeakPolarHBondContact O-CB 3.36Å; T39-F43 PolarHBondContact O-N 3.39Å; E40-F43 PolarHBondContact O-N 2.78Å; E41-F43 PolarHBondContact O-N 3.33Å; F43-C45 VanDerWaalsContact C-N 3.32Å; F43-C45 PolarHBondContact O-N 3.49Å; F43-M46 HydrophobicContact CD2-CE 4.42Å; F43-M46 WeakPolarHBondContact O-CB 3.32Å; F43-M46 PolarHBondContact O-N 3.42Å; F43-L47 HydrophobicContact CD1-CD1 3.72Å; F43-L47 HydrophobicContact CD1-CD2 4.34Å; F43-L47 HydrophobicContact CD1-CG 3.84Å; F43-L47 HydrophobicContact CE1-CD1 3.77Å; F43-L47 HydrophobicContact CE1-CD2 3.87Å; F43-L47 HydrophobicContact CE1-CG 3.88Å; F43-L47 PolarHBondContact O-N 2.81Å; F43-V72 HydrophobicContact CE1-CB 4.19Å; F43-V72 HydrophobicContact CE1-CG1 4.01Å; F43-F74 HydrophobicContact CD1-CE1 4.07Å; F43-F74 AromaticContact CD2-CE1 3.94Å; F43-F74 HydrophobicContact CD2-CE1 3.94Å; F43-F74 AromaticContact CE1-CD1 3.91Å; F43-F74 HydrophobicContact CE1-CD1 3.91Å; F43-F74 AromaticContact CE1-CE1 3.62Å; F43-F74 HydrophobicContact CE1-CE1 3.62Å; F43-F74 HydrophobicContact CE2-CD1 4.18Å; F43-F74 AromaticContact CE2-CE1 3.48Å; F43-F74 HydrophobicContact CE2-CE1 3.48Å; F43-F74 VanDerWaalsContact CE2-CE1 3.48Å; F43-F74 HydrophobicContact CE2-CZ 4.36Å; F43-F74 HydrophobicContact CG-CE1 4.23Å; F43-F74 AromaticContact CZ-CD1 3.6Å; F43-F74 HydrophobicContact CZ-CD1 3.6Å; F43-F74 AromaticContact CZ-CE1 3.31Å; F43-F74 HydrophobicContact CZ-CE1 3.31Å; F43-F81 HydrophobicContact CE2-CB 3.87Å; F43-F81 HydrophobicContact CZ-CB 4.44Å; F43-E82 WeakPolarHBondContact CE2-O 3.36Å; F43-E82 VanDerWaalsContact CZ-C 3.47Å; F43-L83 HydrophobicContact CB-CD2 3.41Å; F43-L83 VanDerWaalsContact CB-CD2 3.41Å; F43-L83 HydrophobicContact CD1-CB 3.69Å; F43-L83 HydrophobicContact CD1-CD2 3.59Å; F43-L83 HydrophobicContact CD1-CG 4.29Å; F43-L83 HydrophobicContact CD2-CB 3.78Å; F43-L83 HydrophobicContact CD2-CD2 3.99Å; F43-L83 HydrophobicContact CE1-CB 3.49Å; F43-L83 VanDerWaalsContact CE1-CB 3.49Å; F43-L83 HydrophobicContact CE1-CD2 4.28Å; F43-L83 HydrophobicContact CE2-CB 3.59Å; F43-L83 HydrophobicContact CG-CB 3.82Å; F43-L83 HydrophobicContact CG-CD2 3.4Å; F43-L83 VanDerWaalsContact CG-CD2 3.4Å; F43-L83 HydrophobicContact CG-CG 4.27Å; F43-L83 HydrophobicContact CZ-CB 3.43Å; F43-L83 VanDerWaalsContact CZ-CB 3.43Å
44C94.3Very high94.9Very high1 Ų167.3 Ų67.31%0.00735%0.349CS..Hα-helixtrans-61.1-38.7178-72.60000112.3E40 E41 M46 L47 R48 K109E40-C44 VanDerWaalsContact O-CB 3.32Å; E40-C44 WeakPolarHBondContact O-CB 3.43Å; E40-C44 PolarHBondContact O-N 2.86Å; E40-C44 PolarHBondContact O-SG 3.12Å; E41-C44 PolarHBondContact O-N 3.32Å; C44-M46 PolarHBondContact O-N 3.48Å; C44-L47 PolarHBondContact O-N 2.84Å; C44-L47 VanDerWaalsContact O-N 3.14Å; C44-R48 WeakPolarHBondContact O-CG 3.4Å; C44-R48 PolarHBondContact O-N 2.89Å; C44-K109 HydrophobicContact CB-CB 4.05Å; C44-K109 HydrophobicContact CB-CD 4.43Å; C44-K109 HydrophobicContact CB-CG 4.26Å
45C95.4Very high94.9Very high65 Ų6567.4 Ų67.444%0.43934%0.343SS..Hα-helixtrans-58.2-38.1173.6-74.20000112E41 F43E41-C45 WeakPolarHBondContact O-CB 3.38Å; E41-C45 PolarHBondContact O-N 2.87Å; E41-C45 PolarHBondContact O-SG 3.31Å; F43-C45 VanDerWaalsContact C-N 3.32Å; F43-C45 PolarHBondContact O-N 3.49Å
46M95Very high94.8Very high31 Ų3161.1 Ų61.115%0.15331%0.312CS..Hα-helixtrans-70.9-37175.9-64.5-173.4-76.100112.7T42 F43 C44 R48 E49 K50 F74 K76 F81T42-M46 HydrophobicContact CG2-CE 4.26Å; T42-M46 WeakPolarHBondContact O-CG 3.24Å; T42-M46 PolarHBondContact O-N 3.24Å; F43-M46 HydrophobicContact CD2-CE 4.42Å; F43-M46 WeakPolarHBondContact O-CB 3.32Å; F43-M46 PolarHBondContact O-N 3.42Å; C44-M46 PolarHBondContact O-N 3.48Å; M46-R48 PolarHBondContact O-N 3.34Å; M46-E49 PolarHBondContact O-N 3.32Å; M46-K50 WeakPolarHBondContact O-CG 3.46Å; M46-F74 HydrophobicContact CB-CE1 4.45Å; M46-F74 HydrophobicContact CB-CE2 4.03Å; M46-F74 HydrophobicContact CB-CZ 3.62Å; M46-F74 HydrophobicContact CE-CZ 3.94Å; M46-F74 HydrophobicContact CG-CZ 4.44Å; M46-F74 HydrophobicContact SD-CZ 4.07Å; M46-K76 HydrophobicContact CG-CD 4.48Å; M46-K76 HydrophobicContact SD-CD 3.75Å; M46-K76 PolarHBondContact SD-NZ 2.94Å; M46-F81 HydrophobicContact CE-CD1 4.4Å
47L94Very high94.7Very high2 Ų261.8 Ų61.81%0.0131%0.308CS..Hα-helixtrans-63-27-179.5-71.6179.9000113.7F43 C44 E49 K50 L52 V72 F74 V111 N115F43-L47 HydrophobicContact CD1-CD1 3.72Å; F43-L47 HydrophobicContact CD1-CD2 4.34Å; F43-L47 HydrophobicContact CD1-CG 3.84Å; F43-L47 HydrophobicContact CE1-CD1 3.77Å; F43-L47 HydrophobicContact CE1-CD2 3.87Å; F43-L47 HydrophobicContact CE1-CG 3.88Å; F43-L47 PolarHBondContact O-N 2.81Å; C44-L47 PolarHBondContact O-N 2.84Å; C44-L47 VanDerWaalsContact O-N 3.14Å; L47-E49 PolarHBondContact O-N 3.46Å; L47-E49 VanDerWaalsContact O-N 3.13Å; L47-K50 PolarHBondContact O-N 2.96Å; L47-L52 HydrophobicContact CB-CD2 4.45Å; L47-L52 HydrophobicContact CD1-CD2 4.41Å; L47-L52 HydrophobicContact CD2-CB 4.11Å; L47-L52 HydrophobicContact CD2-CD2 3.81Å; L47-L52 HydrophobicContact CG-CD2 4.46Å; L47-V72 HydrophobicContact CD1-CG1 3.91Å; L47-V72 HydrophobicContact CD2-CG1 3.76Å; L47-V72 HydrophobicContact CG-CG1 4.49Å; L47-F74 HydrophobicContact CD2-CB 4.26Å; L47-F74 HydrophobicContact CD2-CD1 3.29Å; L47-F74 HydrophobicContact CD2-CE1 3.73Å; L47-F74 HydrophobicContact CD2-CG 3.93Å; L47-F74 HydrophobicContact CG-CD1 4.33Å; L47-F74 HydrophobicContact CG-CE1 4.32Å; L47-V111 HydrophobicContact CB-CG1 3.97Å; L47-V111 HydrophobicContact CB-CG2 3.87Å; L47-N115 PolarHBondContact O-ND2 3.13Å
48R95Very high94.3Very high115 Ų11557.9 Ų57.943%0.43429%0.293SS..THydrogen-bonded Turntrans-57.9-29.4-179.2-58.6-172.4-178.7147.7-0.5113.1C44 M46 K109 A110 V111 N115C44-R48 WeakPolarHBondContact O-CG 3.4Å; C44-R48 PolarHBondContact O-N 2.89Å; M46-R48 PolarHBondContact O-N 3.34Å; R48-K109 VanDerWaalsContact CZ-O 3.3Å; R48-K109 PolarHBondContact NE-O 3.03Å; R48-K109 PolarHBondContact NH2-O 3.14Å; R48-A110 WeakPolarHBondContact CD-O 3.13Å; R48-A110 WeakPolarHBondContact CG-O 3.4Å; R48-V111 HydrophobicContact CG-CG2 4.09Å; R48-N115 PolarHBondContact O-ND2 3Å; R48-N115 VanDerWaalsContact O-ND2 3.14Å
49E94.1Very high94Very high156 Ų15655.3 Ų55.373%0.72928%0.283SS*.THydrogen-bonded Turntrans-114.213.5-174.3-56.8179.8170.100113.4M46 L47M46-E49 PolarHBondContact O-N 3.32Å; L47-E49 PolarHBondContact O-N 3.46Å; L47-E49 VanDerWaalsContact O-N 3.13Å
50K94.6Very high93.7Very high64 Ų6455.1 Ų55.128%0.27829%0.289SS..SBendtrans-133.8138.1-171-64-75.7156.1-91.50110.3M46 L47 F74 N115M46-K50 WeakPolarHBondContact O-CG 3.46Å; L47-K50 PolarHBondContact O-N 2.96Å; K50-F74 HydrophobicContact CB-CB 4.39Å; K50-F74 HydrophobicContact CB-CD2 4Å; K50-F74 HydrophobicContact CB-CG 4.39Å; K50-F74 HydrophobicContact CD-CD2 4.43Å; K50-F74 HydrophobicContact CG-CD2 3.95Å; K50-F74 HydrophobicContact CG-CE2 4.26Å; K50-N115 WeakPolarHBondContact O-CB 3.39Å; K50-N115 PolarHBondContact O-ND2 3.27Å
51E95.1Very high93.2Very high136 Ų13656.2 Ų56.264%0.63630%0.297SS*.  trans-65.1140.4163.3-66.8176.8154.400109.5F74 N115 I117E51-F74 WeakPolarHBondContact O-CB 3.4Å; E51-N115 CarbonylContact C-O 3.57Å; E51-N115 WeakPolarHBondContact CA-O 3.36Å; E51-I117 HydrophobicContact CB-CD1 4.14Å; E51-I117 HydrophobicContact CB-CG1 4.25Å; E51-I117 HydrophobicContact CB-CG2 3.68Å; E51-I117 HydrophobicContact CG-CG2 3.71Å
52L95.5Very high92.7Very high1 Ų157 Ų571%0.00531%0.311CS..EExtended strand (participates in β ladder)trans-137153-17569.486.2000111.4L47 L54 V72 R73 F74 F106 V111 N115 I116 I117L47-L52 HydrophobicContact CB-CD2 4.45Å; L47-L52 HydrophobicContact CD1-CD2 4.41Å; L47-L52 HydrophobicContact CD2-CB 4.11Å; L47-L52 HydrophobicContact CD2-CD2 3.81Å; L47-L52 HydrophobicContact CG-CD2 4.46Å; L52-L54 HydrophobicContact CD1-CB 4.14Å; L52-V72 HydrophobicContact CB-CG1 4.16Å; L52-V72 HydrophobicContact CD1-CG1 4.11Å; L52-V72 HydrophobicContact CD2-CG1 4.25Å; L52-V72 HydrophobicContact CG-CG1 4.41Å; L52-R73 CarbonylContact C-O 3.55Å; L52-R73 VanDerWaalsContact CA-O 3.24Å; L52-R73 WeakPolarHBondContact CA-O 3.16Å; L52-R73 WeakPolarHBondContact CB-O 3.35Å; L52-F74 HydrophobicContact CB-CB 4.21Å; L52-F106 HydrophobicContact CD1-CZ 4.34Å; L52-F106 HydrophobicContact CD2-CE1 4Å; L52-F106 HydrophobicContact CD2-CZ 4.29Å; L52-V111 HydrophobicContact CD2-CG1 4.23Å; L52-N115 HydrophobicContact CD2-CB 4.22Å; L52-N115 HydrophobicContact CG-CB 4.49Å; L52-N115 PolarHBondContact N-O 2.77Å; L52-I116 HydrophobicContact CD1-CB 4.37Å; L52-I116 HydrophobicContact CD1-CG1 3.72Å; L52-I116 HydrophobicContact CG-CG1 4.38Å; L52-I116 WeakPolarHBondContact O-CA 3.31Å; L52-I117 VanDerWaalsContact O-CG1 3.27Å; L52-I117 WeakPolarHBondContact O-CG1 3.26Å; L52-I117 PolarHBondContact O-N 2.9Å
53S95.6Very high91.9Very high44 Ų4457 Ų5731%0.30833%0.326SS..EExtended strand (participates in β ladder)trans-104.3144.816360.50000110.1V72 R73 A118S53-V72 WeakPolarHBondContact O-CA 3.35Å; S53-R73 PolarHBondContact N-O 3.44Å; S53-R73 PolarHBondContact O-N 3.29Å; S53-R73 WeakPolarHBondContact OG-CB 3.29Å; S53-A118 WeakPolarHBondContact CA-O 3.45Å
54L95.9Very high91Very high2 Ų264.1 Ų64.11%0.0136%0.364CS..EExtended strand (participates in β ladder)trans-122.4126-177175.268.8000108.9L52 L56 A70 V72 V102 I116 A118 V119 A120L52-L54 HydrophobicContact CD1-CB 4.14Å; L54-L56 HydrophobicContact CD1-CD2 3.93Å; L54-L56 HydrophobicContact CD1-CG 4.46Å; L54-L56 HydrophobicContact CD2-CD1 4.22Å; L54-L56 HydrophobicContact CD2-CD2 4.13Å; L54-L56 HydrophobicContact CD2-CG 4.11Å; L54-L56 HydrophobicContact CG-CD2 4.04Å; L54-L56 HydrophobicContact CG-CG 4.04Å; L54-A70 HydrophobicContact CD1-CB 4.13Å; L54-V72 HydrophobicContact CD1-CG2 3.84Å; L54-V102 HydrophobicContact CD2-CG1 4.2Å; L54-I116 HydrophobicContact CD2-CD1 4.21Å; L54-A118 PolarHBondContact N-O 3.34Å; L54-V119 HydrophobicContact CB-CG2 4.27Å; L54-V119 CarbonylContact O-C 3.53Å; L54-V119 WeakPolarHBondContact O-CA 3.39Å; L54-A120 PolarHBondContact O-N 3.04Å
55Q95.8Very high90.5Very high90 Ų9069.3 Ų69.342%0.42139%0.389SS..EExtended strand (participates in β ladder)trans-109.8129.2168.1-178.3174.9-0.700108.6A70 Y71 A120Q55-A70 WeakPolarHBondContact O-CA 3.47Å; Q55-Y71 HydrophobicContact CB-CD1 4.31Å; Q55-Y71 PolarHBondContact N-O 3.39Å; Q55-Y71 PolarHBondContact O-N 3.01Å; Q55-A120 CarbonylContact C-O 3.52Å; Q55-A120 VanDerWaalsContact CA-O 3.28Å; Q55-A120 WeakPolarHBondContact CA-O 3.24Å; Q55-A120 HydrophobicContact CB-CB 4.25Å; Q55-A120 HydrophobicContact CG-CB 4.07Å
56L94.4Very high90.2Very high1 Ų166.4 Ų66.41%0.00537%0.369CS..EExtended strand (participates in β ladder)trans-115.7138.4177.6-64.1177.9000110.5L54 L68 L69 A70 I98 V102 A120 T121 M127 F134L54-L56 HydrophobicContact CD1-CD2 3.93Å; L54-L56 HydrophobicContact CD1-CG 4.46Å; L54-L56 HydrophobicContact CD2-CD1 4.22Å; L54-L56 HydrophobicContact CD2-CD2 4.13Å; L54-L56 HydrophobicContact CD2-CG 4.11Å; L54-L56 HydrophobicContact CG-CD2 4.04Å; L54-L56 HydrophobicContact CG-CG 4.04Å; L56-L68 HydrophobicContact CB-CD1 4.44Å; L56-L68 HydrophobicContact CD2-CD1 4.28Å; L56-L68 HydrophobicContact CD2-CD2 4.47Å; L56-L68 HydrophobicContact CD2-CG 4.43Å; L56-L69 WeakPolarHBondContact CA-O 3.24Å; L56-A70 HydrophobicContact CD2-CB 3.64Å; L56-I98 HydrophobicContact CD1-CG2 4.48Å; L56-V102 HydrophobicContact CD1-CG2 4.08Å; L56-V102 HydrophobicContact CD2-CG2 4.11Å; L56-A120 PolarHBondContact N-O 3.45Å; L56-T121 HydrophobicContact CB-CG2 4.48Å; L56-T121 WeakPolarHBondContact O-CA 3.2Å; L56-M127 HydrophobicContact CB-CE 3.28Å; L56-M127 HydrophobicContact CD1-CE 3.84Å; L56-M127 HydrophobicContact CG-CE 4.22Å; L56-F134 HydrophobicContact CD1-CD1 3.85Å; L56-F134 HydrophobicContact CD1-CD2 4.09Å; L56-F134 HydrophobicContact CD1-CE1 3.39Å; L56-F134 HydrophobicContact CD1-CE2 3.63Å; L56-F134 HydrophobicContact CD1-CG 4.19Å; L56-F134 HydrophobicContact CD1-CZ 3.28Å
57D92Very high90Very high68 Ų6866.5 Ų66.536%0.36437%0.37SS..EExtended strand (participates in β ladder)trans-143.8153.8174-168.622.3000108.8L69D57-L69 HydrophobicContact CB-CB 4.37Å; D57-L69 PolarHBondContact N-O 2.99Å; D57-L69 PolarHBondContact O-N 2.69Å
58D88.1Confident90Very high41 Ų4166.6 Ų66.622%0.21937%0.371CS..EExtended strand (participates in β ladder)trans-114.5131.4173.683.9-86.4000111.2L67 R93D58-L67 CarbonylContact C-O 3.56Å; D58-L67 WeakPolarHBondContact CA-O 3.41Å; D58-R93 WeakPolarHBondContact OD2-CD 3.46Å; D58-R93 IonicContact OD2-CZ 2.67Å; D58-R93 IonicContact OD2-NE 3.1Å; D58-R93 PolarHBondContact OD2-NE 3.33Å
59S88.4Confident90Very high47 Ų4763.2 Ų63.233%0.32936%0.361SS..EExtended strand (participates in β ladder)trans-107.8126.3176.9-166.40000109.8S66 L67S59-S66 CarbonylContact O-C 3.54Å; S59-S66 VanDerWaalsContact O-CA 3.27Å; S59-S66 WeakPolarHBondContact O-CA 3.3Å; S59-L67 PolarHBondContact N-O 3.25Å; S59-L67 PolarHBondContact O-N 3.11Å
60A86.8Confident90Very high72 Ų7256.5 Ų56.560%0.59533%0.332SS*.EExtended strand (participates in β ladder)trans-75.5123.8172.800000110.6
61L83.9Confident90Very high72 Ų7255.5 Ų55.538%0.37733%0.327SS..PPolyproline II helixtrans-96.3168.7168.1-66-179.4000110.3E65 L67L61-E65 HydrophobicContact CB-CB 3.86Å; L61-E65 HydrophobicContact CD1-CB 4.26Å; L61-E65 PolarHBondContact N-O 2.94Å; L61-L67 HydrophobicContact CD1-CD1 3.86Å; L61-L67 HydrophobicContact CD1-CD2 3.98Å; L61-L67 HydrophobicContact CD1-CG 3.57Å; L61-L67 HydrophobicContact CD2-CD1 4.02Å; L61-L67 HydrophobicContact CD2-CG 4.41Å; L61-L67 HydrophobicContact CG-CD1 4.13Å; L61-L67 HydrophobicContact CG-CG 3.96Å
62S82.9Confident90.1Very high105 Ų10549.1 Ų49.173%0.73430%0.297SS*.G310 helixtrans-63147.4170.253.20000110.9
63G78.9Confident90.1Very high71 Ų7153.7 Ų53.773%0.73231%0.314SS*.G310 helixtrans83.727.2169.600000116.2E65G63-E65 PolarHBondContact O-N 3.44Å
64N76.6Confident90.1Very high162 Ų16251.8 Ų51.887%0.86630%0.301SS*.G310 helixtrans67.111.4-176.1-59.9-33.1000115
65E83.6Confident90.1Very high111 Ų11157.2 Ų57.252%0.51933%0.328SS..  trans-81.2149.3172.9-66.8173.4166.900110.3L61 G63L61-E65 HydrophobicContact CB-CB 3.86Å; L61-E65 HydrophobicContact CD1-CB 4.26Å; L61-E65 PolarHBondContact N-O 2.94Å; G63-E65 PolarHBondContact O-N 3.44Å
66S87.9Confident90Very high3 Ų356.2 Ų56.22%0.02132%0.322CS..EExtended strand (participates in β ladder)trans-138146.1171.942.20000110.6S59 L89S59-S66 CarbonylContact O-C 3.54Å; S59-S66 VanDerWaalsContact O-CA 3.27Å; S59-S66 WeakPolarHBondContact O-CA 3.3Å; S66-L89 PolarHBondContact O-N 3.28Å; S66-L89 WeakPolarHBondContact OG-CB 3.3Å
67L91.8Very high89.9Confident34 Ų3464.9 Ų64.918%0.17836%0.36CS..EExtended strand (participates in β ladder)trans-105130.6171.2-65.3175000108.9D58 S59 L61 L69 K87 E88D58-L67 CarbonylContact C-O 3.56Å; D58-L67 WeakPolarHBondContact CA-O 3.41Å; S59-L67 PolarHBondContact N-O 3.25Å; S59-L67 PolarHBondContact O-N 3.11Å; L61-L67 HydrophobicContact CD1-CD1 3.86Å; L61-L67 HydrophobicContact CD1-CD2 3.98Å; L61-L67 HydrophobicContact CD1-CG 3.57Å; L61-L67 HydrophobicContact CD2-CD1 4.02Å; L61-L67 HydrophobicContact CD2-CG 4.41Å; L61-L67 HydrophobicContact CG-CD1 4.13Å; L61-L67 HydrophobicContact CG-CG 3.96Å; L67-L69 HydrophobicContact CB-CD2 4.41Å; L67-K87 CarbonylContact C-O 3.53Å; L67-K87 WeakPolarHBondContact CA-O 3.4Å; L67-E88 HydrophobicContact CD2-CB 4.44Å; L67-E88 HydrophobicContact CD2-CG 3.72Å
68L93.2Very high90Very high4 Ų471 Ų712%0.02139%0.386CS..EExtended strand (participates in β ladder)trans-79.9119.1159.5-176.365.4000108.1L56 S86 K87 L89 I98 V101 V102L56-L68 HydrophobicContact CB-CD1 4.44Å; L56-L68 HydrophobicContact CD2-CD1 4.28Å; L56-L68 HydrophobicContact CD2-CD2 4.47Å; L56-L68 HydrophobicContact CD2-CG 4.43Å; L68-S86 VanDerWaalsContact O-CA 3.31Å; L68-S86 WeakPolarHBondContact O-CA 3.38Å; L68-K87 PolarHBondContact N-O 3.3Å; L68-K87 PolarHBondContact O-N 3.14Å; L68-L89 HydrophobicContact CB-CD1 4.03Å; L68-L89 HydrophobicContact CB-CD2 4.04Å; L68-L89 HydrophobicContact CB-CG 3.89Å; L68-I98 HydrophobicContact CD1-CG2 3.81Å; L68-I98 HydrophobicContact CD2-CG2 4.01Å; L68-V101 HydrophobicContact CD2-CB 4.33Å; L68-V101 HydrophobicContact CD2-CG1 3.96Å; L68-V102 HydrophobicContact CD2-CG2 3.72Å
69L94.3Very high90.3Very high43 Ų4377.6 Ų77.623%0.22541%0.408CS..EExtended strand (participates in β ladder)trans-94.7123.6170.4-59.5-178.3000108.3L56 D57 L67 L84 F85L56-L69 WeakPolarHBondContact CA-O 3.24Å; D57-L69 HydrophobicContact CB-CB 4.37Å; D57-L69 PolarHBondContact N-O 2.99Å; D57-L69 PolarHBondContact O-N 2.69Å; L67-L69 HydrophobicContact CB-CD2 4.41Å; L69-L84 HydrophobicContact CB-CD1 4.3Å; L69-F85 WeakPolarHBondContact CA-O 3.42Å
70A94.7Very high90.6Very high16 Ų1680.2 Ų80.213%0.13242%0.418CS..EExtended strand (participates in β ladder)trans-121.5111.7178.500000109.3L54 Q55 L56 F85L54-A70 HydrophobicContact CD1-CB 4.13Å; Q55-A70 WeakPolarHBondContact O-CA 3.47Å; L56-A70 HydrophobicContact CD2-CB 3.64Å; A70-F85 HydrophobicContact CB-CB 4.48Å; A70-F85 PolarHBondContact N-O 3.43Å; A70-F85 PolarHBondContact O-N 2.86Å
71Y95.4Very high91Very high42 Ų4279.9 Ų79.917%0.16540%0.404CS..EExtended strand (participates in β ladder)trans-107.4115.7-179.2179.2-92.8000109.5Q55 R73 E82 L84Q55-Y71 HydrophobicContact CB-CD1 4.31Å; Q55-Y71 PolarHBondContact N-O 3.39Å; Q55-Y71 PolarHBondContact O-N 3.01Å; Y71-R73 HydrophobicContact CD1-CG 4.31Å; Y71-R73 HydrophobicContact CE1-CG 3.53Å; Y71-R73 PolarHBondContact OH-NE 3.24Å; Y71-R73 PolarHBondContact OH-NH2 2.81Å; Y71-E82 HydrophobicContact CE2-CB 4.01Å; Y71-E82 PolarHBondContact OH-OE2 3.03Å; Y71-L84 HydrophobicContact CD2-CB 4.1Å; Y71-L84 HydrophobicContact CD2-CD1 4.25Å
72V95.8Very high91.5Very high2 Ų281.9 Ų81.91%0.01241%0.411CS..EExtended strand (participates in β ladder)trans-109.1129.4-171.2-179.30000109.4F43 L47 L52 S53 L54 E82 L83 F85F43-V72 HydrophobicContact CE1-CB 4.19Å; F43-V72 HydrophobicContact CE1-CG1 4.01Å; L47-V72 HydrophobicContact CD1-CG1 3.91Å; L47-V72 HydrophobicContact CD2-CG1 3.76Å; L47-V72 HydrophobicContact CG-CG1 4.49Å; L52-V72 HydrophobicContact CB-CG1 4.16Å; L52-V72 HydrophobicContact CD1-CG1 4.11Å; L52-V72 HydrophobicContact CD2-CG1 4.25Å; L52-V72 HydrophobicContact CG-CG1 4.41Å; S53-V72 WeakPolarHBondContact O-CA 3.35Å; L54-V72 HydrophobicContact CD1-CG2 3.84Å; V72-E82 VanDerWaalsContact O-CA 3.28Å; V72-E82 WeakPolarHBondContact O-CA 3.33Å; V72-L83 PolarHBondContact N-O 3.18Å; V72-L83 PolarHBondContact O-N 2.86Å; V72-F85 HydrophobicContact CG2-CD2 4.22Å; V72-F85 HydrophobicContact CG2-CE2 4.2Å
73R96.4Very high92Very high97 Ų9778.4 Ų78.437%0.36638%0.384SS..EExtended strand (participates in β ladder)trans-122.1140.1174.5-76.7-179.4177.3141.321.2111L52 S53 Y71 L80 F81 E82L52-R73 CarbonylContact C-O 3.55Å; L52-R73 VanDerWaalsContact CA-O 3.24Å; L52-R73 WeakPolarHBondContact CA-O 3.16Å; L52-R73 WeakPolarHBondContact CB-O 3.35Å; S53-R73 PolarHBondContact N-O 3.44Å; S53-R73 PolarHBondContact O-N 3.29Å; S53-R73 WeakPolarHBondContact OG-CB 3.29Å; Y71-R73 HydrophobicContact CD1-CG 4.31Å; Y71-R73 HydrophobicContact CE1-CG 3.53Å; Y71-R73 PolarHBondContact OH-NE 3.24Å; Y71-R73 PolarHBondContact OH-NH2 2.81Å; R73-L80 HydrophobicContact CB-CD1 4.15Å; R73-L80 HydrophobicContact CG-CD1 4.33Å; R73-F81 VanDerWaalsContact CA-O 3.32Å; R73-F81 WeakPolarHBondContact CA-O 3.47Å; R73-E82 HydrophobicContact CG-CB 4.2Å
74F95.6Very high92.7Very high5 Ų580 Ų802%0.02238%0.375CS..EExtended strand (participates in β ladder)trans-148.4162.3168.872-86.5000111.2F43 M46 L47 K50 E51 L52 K76 F81F43-F74 HydrophobicContact CD1-CE1 4.07Å; F43-F74 AromaticContact CD2-CE1 3.94Å; F43-F74 HydrophobicContact CD2-CE1 3.94Å; F43-F74 AromaticContact CE1-CD1 3.91Å; F43-F74 HydrophobicContact CE1-CD1 3.91Å; F43-F74 AromaticContact CE1-CE1 3.62Å; F43-F74 HydrophobicContact CE1-CE1 3.62Å; F43-F74 HydrophobicContact CE2-CD1 4.18Å; F43-F74 AromaticContact CE2-CE1 3.48Å; F43-F74 HydrophobicContact CE2-CE1 3.48Å; F43-F74 VanDerWaalsContact CE2-CE1 3.48Å; F43-F74 HydrophobicContact CE2-CZ 4.36Å; F43-F74 HydrophobicContact CG-CE1 4.23Å; F43-F74 AromaticContact CZ-CD1 3.6Å; F43-F74 HydrophobicContact CZ-CD1 3.6Å; F43-F74 AromaticContact CZ-CE1 3.31Å; F43-F74 HydrophobicContact CZ-CE1 3.31Å; M46-F74 HydrophobicContact CB-CE1 4.45Å; M46-F74 HydrophobicContact CB-CE2 4.03Å; M46-F74 HydrophobicContact CB-CZ 3.62Å; M46-F74 HydrophobicContact CE-CZ 3.94Å; M46-F74 HydrophobicContact CG-CZ 4.44Å; M46-F74 HydrophobicContact SD-CZ 4.07Å; L47-F74 HydrophobicContact CD2-CB 4.26Å; L47-F74 HydrophobicContact CD2-CD1 3.29Å; L47-F74 HydrophobicContact CD2-CE1 3.73Å; L47-F74 HydrophobicContact CD2-CG 3.93Å; L47-F74 HydrophobicContact CG-CD1 4.33Å; L47-F74 HydrophobicContact CG-CE1 4.32Å; K50-F74 HydrophobicContact CB-CB 4.39Å; K50-F74 HydrophobicContact CB-CD2 4Å; K50-F74 HydrophobicContact CB-CG 4.39Å; K50-F74 HydrophobicContact CD-CD2 4.43Å; K50-F74 HydrophobicContact CG-CD2 3.95Å; K50-F74 HydrophobicContact CG-CE2 4.26Å; E51-F74 WeakPolarHBondContact O-CB 3.4Å; L52-F74 HydrophobicContact CB-CB 4.21Å; F74-K76 HydrophobicContact CD2-CB 4.19Å; F74-K76 HydrophobicContact CE2-CB 3.76Å; F74-K76 HydrophobicContact CE2-CD 4.31Å; F74-F81 HydrophobicContact CD1-CB 3.95Å; F74-F81 HydrophobicContact CD2-CB 4.39Å; F74-F81 HydrophobicContact CE1-CB 3.54Å; F74-F81 HydrophobicContact CE1-CG 4.36Å; F74-F81 HydrophobicContact CE2-CB 3.98Å; F74-F81 HydrophobicContact CE2-CD2 4.09Å; F74-F81 HydrophobicContact CE2-CG 4.13Å; F74-F81 HydrophobicContact CG-CB 4.38Å; F74-F81 HydrophobicContact CZ-CB 3.54Å; F74-F81 HydrophobicContact CZ-CD1 4.46Å; F74-F81 HydrophobicContact CZ-CD2 4.29Å; F74-F81 AromaticContact CZ-CG 3.86Å; F74-F81 HydrophobicContact CZ-CG 3.86Å; F74-F81 PolarHBondContact N-O 2.85Å; F74-F81 PolarHBondContact O-N 3.19Å
75I94.9Very high93.4Very high115 Ų11573.1 Ų73.159%0.5934%0.338SS*.EExtended strand (participates in β ladder)trans-107.2131.6177.9-61.3173.4000109.7R79 L80I75-R79 WeakPolarHBondContact CA-O 3.2Å; I75-L80 HydrophobicContact CG1-CD1 4.3Å
76K93.6Very high93.8Very high69 Ų6971.2 Ų71.230%0.334%0.336SS..EExtended strand (participates in β ladder)trans-138.3122.5172.6174.3178.1179.2176.80109.9M46 F74 E78 R79 F81M46-K76 HydrophobicContact CG-CD 4.48Å; M46-K76 HydrophobicContact SD-CD 3.75Å; M46-K76 PolarHBondContact SD-NZ 2.94Å; F74-K76 HydrophobicContact CD2-CB 4.19Å; F74-K76 HydrophobicContact CE2-CB 3.76Å; F74-K76 HydrophobicContact CE2-CD 4.31Å; K76-E78 VanDerWaalsContact C-N 3.33Å; K76-E78 PolarHBondContact O-N 3.37Å; K76-R79 PolarHBondContact N-O 3.1Å; K76-R79 PolarHBondContact O-N 3.01Å; K76-R79 VanDerWaalsContact O-N 3.12Å; K76-F81 HydrophobicContact CB-CD2 3.95Å; K76-F81 HydrophobicContact CB-CE2 3.78Å; K76-F81 HydrophobicContact CG-CE2 4.4Å
77K93.9Very high94Very high184 Ų18475 Ų7580%0.835%0.352SS*.THydrogen-bonded Turntrans51.551.1-178.3-57.6-178.7177.5-175.60111.8R79K77-R79 PolarHBondContact O-N 3.36Å
78E93Very high93.9Very high195 Ų19580.2 Ų80.291%0.91138%0.376SS*.THydrogen-bonded Turntrans61.412.5179.6-54.7174.9172.800114.9K76K76-E78 VanDerWaalsContact C-N 3.33Å; K76-E78 PolarHBondContact O-N 3.37Å
79R94.4Very high93.6Very high180 Ų18080.3 Ų80.368%0.67938%0.377SS*.EExtended strand (participates in β ladder)trans-111.2135.7175.1-63.6-179.9-177.6-171.7-1.2109.9I75 K76 K77 F81I75-R79 WeakPolarHBondContact CA-O 3.2Å; K76-R79 PolarHBondContact N-O 3.1Å; K76-R79 PolarHBondContact O-N 3.01Å; K76-R79 VanDerWaalsContact O-N 3.12Å; K77-R79 PolarHBondContact O-N 3.36Å; R79-F81 HydrophobicContact CB-CD2 4.42Å; R79-F81 HydrophobicContact CB-CE2 3.79Å; R79-F81 HydrophobicContact CB-CZ 4.47Å; R79-F81 WeakPolarHBondContact O-CD2 3.34Å
80L94.2Very high92.5Very high103 Ų10383.5 Ų83.554%0.53940%0.402SS..EExtended strand (participates in β ladder)trans-76.8132.5170.7-175.967.7000109.1R73 I75R73-L80 HydrophobicContact CB-CD1 4.15Å; R73-L80 HydrophobicContact CG-CD1 4.33Å; I75-L80 HydrophobicContact CG1-CD1 4.3Å
81F95.2Very high91.1Very high65 Ų6587.3 Ų87.329%0.28542%0.424SS..EExtended strand (participates in β ladder)trans-117.7139.7171.3-72.4-96.9000108.5F43 M46 R73 F74 K76 R79F43-F81 HydrophobicContact CE2-CB 3.87Å; F43-F81 HydrophobicContact CZ-CB 4.44Å; M46-F81 HydrophobicContact CE-CD1 4.4Å; R73-F81 VanDerWaalsContact CA-O 3.32Å; R73-F81 WeakPolarHBondContact CA-O 3.47Å; F74-F81 HydrophobicContact CD1-CB 3.95Å; F74-F81 HydrophobicContact CD2-CB 4.39Å; F74-F81 HydrophobicContact CE1-CB 3.54Å; F74-F81 HydrophobicContact CE1-CG 4.36Å; F74-F81 HydrophobicContact CE2-CB 3.98Å; F74-F81 HydrophobicContact CE2-CD2 4.09Å; F74-F81 HydrophobicContact CE2-CG 4.13Å; F74-F81 HydrophobicContact CG-CB 4.38Å; F74-F81 HydrophobicContact CZ-CB 3.54Å; F74-F81 HydrophobicContact CZ-CD1 4.46Å; F74-F81 HydrophobicContact CZ-CD2 4.29Å; F74-F81 AromaticContact CZ-CG 3.86Å; F74-F81 HydrophobicContact CZ-CG 3.86Å; F74-F81 PolarHBondContact N-O 2.85Å; F74-F81 PolarHBondContact O-N 3.19Å; K76-F81 HydrophobicContact CB-CD2 3.95Å; K76-F81 HydrophobicContact CB-CE2 3.78Å; K76-F81 HydrophobicContact CG-CE2 4.4Å; R79-F81 HydrophobicContact CB-CD2 4.42Å; R79-F81 HydrophobicContact CB-CE2 3.79Å; R79-F81 HydrophobicContact CB-CZ 4.47Å; R79-F81 WeakPolarHBondContact O-CD2 3.34Å
82E94.9Very high90.3Very high114 Ų11487.2 Ų87.253%0.53343%0.426SS..EExtended strand (participates in β ladder)trans-136.7144.4-177.960.1-175.3-153.800111F43 Y71 V72 R73F43-E82 WeakPolarHBondContact CE2-O 3.36Å; F43-E82 VanDerWaalsContact CZ-C 3.47Å; Y71-E82 HydrophobicContact CE2-CB 4.01Å; Y71-E82 PolarHBondContact OH-OE2 3.03Å; V72-E82 VanDerWaalsContact O-CA 3.28Å; V72-E82 WeakPolarHBondContact O-CA 3.33Å; R73-E82 HydrophobicContact CG-CB 4.2Å
83L93.1Very high89.7Confident32 Ų3292 Ų9217%0.16844%0.444CS..EExtended strand (participates in β ladder)trans-147.9132.8171.7-172.153.3000110F43 V72 F85F43-L83 HydrophobicContact CB-CD2 3.41Å; F43-L83 VanDerWaalsContact CB-CD2 3.41Å; F43-L83 HydrophobicContact CD1-CB 3.69Å; F43-L83 HydrophobicContact CD1-CD2 3.59Å; F43-L83 HydrophobicContact CD1-CG 4.29Å; F43-L83 HydrophobicContact CD2-CB 3.78Å; F43-L83 HydrophobicContact CD2-CD2 3.99Å; F43-L83 HydrophobicContact CE1-CB 3.49Å; F43-L83 VanDerWaalsContact CE1-CB 3.49Å; F43-L83 HydrophobicContact CE1-CD2 4.28Å; F43-L83 HydrophobicContact CE2-CB 3.59Å; F43-L83 HydrophobicContact CG-CB 3.82Å; F43-L83 HydrophobicContact CG-CD2 3.4Å; F43-L83 VanDerWaalsContact CG-CD2 3.4Å; F43-L83 HydrophobicContact CG-CG 4.27Å; F43-L83 HydrophobicContact CZ-CB 3.43Å; F43-L83 VanDerWaalsContact CZ-CB 3.43Å; V72-L83 PolarHBondContact N-O 3.18Å; V72-L83 PolarHBondContact O-N 2.86Å; L83-F85 HydrophobicContact CB-CE2 4.08Å; L83-F85 HydrophobicContact CB-CZ 4.24Å; L83-F85 HydrophobicContact CD2-CD1 4.45Å; L83-F85 HydrophobicContact CD2-CE1 3.43Å; L83-F85 VanDerWaalsContact CD2-CE1 3.43Å; L83-F85 HydrophobicContact CD2-CE2 3.75Å; L83-F85 HydrophobicContact CD2-CZ 3.04Å; L83-F85 HydrophobicContact CG-CD1 4.37Å; L83-F85 HydrophobicContact CG-CD2 4.31Å; L83-F85 HydrophobicContact CG-CE1 3.78Å; L83-F85 HydrophobicContact CG-CE2 3.73Å; L83-F85 HydrophobicContact CG-CZ 3.49Å; L83-F85 VanDerWaalsContact CG-CZ 3.49Å
84L93.6Very high89.3Confident103 Ų10394 Ų9454%0.53945%0.452SS..EExtended strand (participates in β ladder)trans-98.4127.9172.6-179.165.5000108.8L69 Y71L69-L84 HydrophobicContact CB-CD1 4.3Å; Y71-L84 HydrophobicContact CD2-CB 4.1Å; Y71-L84 HydrophobicContact CD2-CD1 4.25Å
85F91.1Very high89Confident19 Ų1994.4 Ų94.48%0.08346%0.455CS..EExtended strand (participates in β ladder)trans-115148.4170.5-59.1-76.2000110E40 L69 A70 V72 L83 F105E40-F85 HydrophobicContact CB-CE1 4.22Å; E40-F85 HydrophobicContact CG-CE1 3.78Å; E40-F85 HydrophobicContact CG-CZ 4.47Å; L69-F85 WeakPolarHBondContact CA-O 3.42Å; A70-F85 HydrophobicContact CB-CB 4.48Å; A70-F85 PolarHBondContact N-O 3.43Å; A70-F85 PolarHBondContact O-N 2.86Å; V72-F85 HydrophobicContact CG2-CD2 4.22Å; V72-F85 HydrophobicContact CG2-CE2 4.2Å; L83-F85 HydrophobicContact CB-CE2 4.08Å; L83-F85 HydrophobicContact CB-CZ 4.24Å; L83-F85 HydrophobicContact CD2-CD1 4.45Å; L83-F85 HydrophobicContact CD2-CE1 3.43Å; L83-F85 VanDerWaalsContact CD2-CE1 3.43Å; L83-F85 HydrophobicContact CD2-CE2 3.75Å; L83-F85 HydrophobicContact CD2-CZ 3.04Å; L83-F85 HydrophobicContact CG-CD1 4.37Å; L83-F85 HydrophobicContact CG-CD2 4.31Å; L83-F85 HydrophobicContact CG-CE1 3.78Å; L83-F85 HydrophobicContact CG-CE2 3.73Å; L83-F85 HydrophobicContact CG-CZ 3.49Å; L83-F85 VanDerWaalsContact CG-CZ 3.49Å; F85-F105 HydrophobicContact CD1-CE2 4.19Å; F85-F105 AromaticContact CD1-CZ 3.79Å; F85-F105 HydrophobicContact CD1-CZ 3.79Å; F85-F105 HydrophobicContact CD2-CE1 4.13Å; F85-F105 AromaticContact CD2-CZ 3.93Å; F85-F105 HydrophobicContact CD2-CZ 3.93Å; F85-F105 HydrophobicContact CE1-CE2 4.36Å; F85-F105 AromaticContact CE1-CZ 3.71Å; F85-F105 HydrophobicContact CE1-CZ 3.71Å; F85-F105 HydrophobicContact CE2-CE1 4.04Å; F85-F105 AromaticContact CE2-CZ 3.84Å; F85-F105 HydrophobicContact CE2-CZ 3.84Å; F85-F105 HydrophobicContact CG-CE1 4.43Å; F85-F105 HydrophobicContact CG-CE2 4.4Å; F85-F105 AromaticContact CG-CZ 3.85Å; F85-F105 HydrophobicContact CG-CZ 3.85Å; F85-F105 HydrophobicContact CZ-CE1 4.27Å; F85-F105 AromaticContact CZ-CZ 3.67Å; F85-F105 HydrophobicContact CZ-CZ 3.67Å
86S92.5Very high88.9Confident71 Ų7192.8 Ų92.850%0.49745%0.445SS..EExtended strand (participates in β ladder)trans-124.5134.4169.1600000109.7L68L68-S86 VanDerWaalsContact O-CA 3.31Å; L68-S86 WeakPolarHBondContact O-CA 3.38Å
87K92.3Very high88.8Confident82 Ų8289.8 Ų89.836%0.35743%0.433SS..EExtended strand (participates in β ladder)trans-128.8141.2171.2-73.6-70.9-170.5166.40109.3L67 L68 V101 E108L67-K87 CarbonylContact C-O 3.53Å; L67-K87 WeakPolarHBondContact CA-O 3.4Å; L68-K87 PolarHBondContact N-O 3.3Å; L68-K87 PolarHBondContact O-N 3.14Å; K87-V101 HydrophobicContact CB-CG1 3.58Å; K87-V101 HydrophobicContact CG-CG1 4.08Å; K87-E108 IonicContact NZ-OE2 3.87Å
88E89.5Confident88.7Confident144 Ų14481.1 Ų81.167%0.67340%0.395SS*.EExtended strand (participates in β ladder)trans-68.6132.8174-69.2173.7-167.400110.5L67 S90L67-E88 HydrophobicContact CD2-CB 4.44Å; L67-E88 HydrophobicContact CD2-CG 3.72Å; E88-S90 PolarHBondContact O-N 3.13Å
89L87.6Confident88.7Confident6 Ų672.7 Ų72.73%0.03136%0.355CS..EExtended strand (participates in β ladder)trans-9387.5167.9-68.4171.1000107.2S66 L68 T91 I98 V101S66-L89 PolarHBondContact O-N 3.28Å; S66-L89 WeakPolarHBondContact OG-CB 3.3Å; L68-L89 HydrophobicContact CB-CD1 4.03Å; L68-L89 HydrophobicContact CB-CD2 4.04Å; L68-L89 HydrophobicContact CB-CG 3.89Å; L89-T91 VanDerWaalsContact C-N 3.28Å; L89-T91 PolarHBondContact O-N 3.05Å; L89-I98 HydrophobicContact CD1-CG1 4.17Å; L89-I98 HydrophobicContact CD2-CG1 4.05Å; L89-V101 HydrophobicContact CD2-CB 4.5Å; L89-V101 HydrophobicContact CD2-CG2 4.08Å
90S71.2Confident88.7Confident109 Ų10968 Ų6876%0.76234%0.341SS*.SBendtrans-71.3-19.1-171.156.80000114.5E88E88-S90 PolarHBondContact O-N 3.13Å
91T66Low88.7Confident96 Ų9664.4 Ų64.459%0.58932%0.323SS*.SBendtrans-112.3-37.8-168.744.80000113.6L89L89-T91 VanDerWaalsContact C-N 3.28Å; L89-T91 PolarHBondContact O-N 3.05Å
92D78.7Confident88.6Confident41 Ų4161.6 Ų61.622%0.21931%0.312CS..  trans173173.717844.264.2000111.5R94 S97D92-R94 HydrophobicContact CB-CG 4.16Å; D92-R94 PolarHBondContact O-N 2.67Å; D92-R94 WeakPolarHBondContact OD1-CB 3.49Å; D92-R94 VanDerWaalsContact OD1-CG 3.31Å; D92-R94 WeakPolarHBondContact OD1-CG 3.47Å; D92-R94 PolarHBondContact OD1-N 2.7Å; D92-R94 IonicContact OD1-NE 2.7Å; D92-R94 PolarHBondContact OD1-NE 3.37Å; D92-R94 IonicContact OD2-CZ 2.81Å; D92-R94 IonicContact OD2-NE 3.96Å; D92-R94 PolarHBondContact OD2-NE 3.15Å; D92-R94 IonicContact OD2-NH2 3.27Å; D92-R94 PolarHBondContact OD2-NH2 3.4Å; D92-S97 WeakPolarHBondContact OD1-CB 3.48Å; D92-S97 PolarHBondContact OD1-OG 2.8Å
93R81.6Confident88.6Confident102 Ų10259.8 Ų59.839%0.38530%0.303SS..SBendtrans-8625.8168.7-61.3-179.5179.182.95.4112.9D58 A126D58-R93 WeakPolarHBondContact OD2-CD 3.46Å; D58-R93 IonicContact OD2-CZ 2.67Å; D58-R93 IonicContact OD2-NE 3.1Å; D58-R93 PolarHBondContact OD2-NE 3.33Å; R93-A126 WeakPolarHBondContact O-CB 3.31Å
94R88Confident88.7Confident140 Ų14063.6 Ų63.653%0.52832%0.32SS..  trans-72144177.3-65.6-176.1-73.7156.6-3.9109.3D92 E96 S97 I98D92-R94 HydrophobicContact CB-CG 4.16Å; D92-R94 PolarHBondContact O-N 2.67Å; D92-R94 WeakPolarHBondContact OD1-CB 3.49Å; D92-R94 VanDerWaalsContact OD1-CG 3.31Å; D92-R94 WeakPolarHBondContact OD1-CG 3.47Å; D92-R94 PolarHBondContact OD1-N 2.7Å; D92-R94 IonicContact OD1-NE 2.7Å; D92-R94 PolarHBondContact OD1-NE 3.37Å; D92-R94 IonicContact OD2-CZ 2.81Å; D92-R94 IonicContact OD2-NE 3.96Å; D92-R94 PolarHBondContact OD2-NE 3.15Å; D92-R94 IonicContact OD2-NH2 3.27Å; D92-R94 PolarHBondContact OD2-NH2 3.4Å; R94-E96 PolarHBondContact O-N 2.6Å; R94-S97 PolarHBondContact O-N 2.84Å; R94-S97 VanDerWaalsContact O-N 3.12Å; R94-I98 WeakPolarHBondContact O-CG1 3.28Å; R94-I98 PolarHBondContact O-N 2.86Å
95S90.9Very high88.7Confident13 Ų1359.5 Ų59.59%0.09130%0.298CS..Hα-helixtrans-50-39.4175.652.30000114.5F99 A126 R132S95-F99 WeakPolarHBondContact O-CB 3.35Å; S95-F99 PolarHBondContact O-N 3.49Å; S95-A126 WeakPolarHBondContact CB-O 3.24Å; S95-R132 WeakPolarHBondContact CB-O 3.37Å; S95-R132 PolarHBondContact OG-O 3.47Å
96E91.4Very high88.9Confident81 Ų8158.9 Ų58.938%0.37930%0.295SS..Hα-helixtrans-66.8-47.1178.7-175.4178.1-170.300111.3R94 I98 F99 Q100 Y137R94-E96 PolarHBondContact O-N 2.6Å; E96-I98 VanDerWaalsContact C-N 3.33Å; E96-I98 PolarHBondContact O-N 3.37Å; E96-F99 PolarHBondContact O-N 3.18Å; E96-Q100 WeakPolarHBondContact O-CG 3.33Å; E96-Q100 PolarHBondContact O-N 2.99Å; E96-Y137 HydrophobicContact CB-CE2 4Å
97S91.1Very high89.1Confident5 Ų562.4 Ų62.44%0.03531%0.306CS..Hα-helixtrans-61.5-42.2176.3-49.10000111.2D92 R94 F99 Q100 V101D92-S97 WeakPolarHBondContact OD1-CB 3.48Å; D92-S97 PolarHBondContact OD1-OG 2.8Å; R94-S97 PolarHBondContact O-N 2.84Å; R94-S97 VanDerWaalsContact O-N 3.12Å; S97-F99 PolarHBondContact O-N 2.95Å; S97-Q100 PolarHBondContact O-N 3.12Å; S97-V101 WeakPolarHBondContact O-CG2 3.46Å; S97-V101 PolarHBondContact O-N 2.95Å
98I92.6Very high89.2Confident2 Ų264 Ų641%0.0131%0.314CS..Hα-helixtrans-60.2-46.4174.4-65.4168000110.4L56 L68 L89 R94 E96 V101 V102 A126 M127 F134L56-I98 HydrophobicContact CD1-CG2 4.48Å; L68-I98 HydrophobicContact CD1-CG2 3.81Å; L68-I98 HydrophobicContact CD2-CG2 4.01Å; L89-I98 HydrophobicContact CD1-CG1 4.17Å; L89-I98 HydrophobicContact CD2-CG1 4.05Å; R94-I98 WeakPolarHBondContact O-CG1 3.28Å; R94-I98 PolarHBondContact O-N 2.86Å; E96-I98 VanDerWaalsContact C-N 3.33Å; E96-I98 PolarHBondContact O-N 3.37Å; I98-V101 PolarHBondContact O-N 2.83Å; I98-V102 WeakPolarHBondContact O-CG2 3.37Å; I98-V102 PolarHBondContact O-N 2.87Å; I98-V102 VanDerWaalsContact O-N 3.15Å; I98-A126 HydrophobicContact CD1-CB 4.4Å; I98-M127 HydrophobicContact CD1-SD 3.83Å; I98-M127 HydrophobicContact CG2-CE 4.28Å; I98-M127 HydrophobicContact CG2-SD 4.14Å; I98-F134 HydrophobicContact CB-CD2 4.44Å; I98-F134 HydrophobicContact CG2-CD2 3.69Å; I98-F134 HydrophobicContact CG2-CE2 4.28Å; I98-F134 HydrophobicContact CG2-CG 4.29Å
99F93.4Very high89.4Confident18 Ų1858.3 Ų58.38%0.07929%0.287CS..Hα-helixtrans-61.7-45.9177.9177.4-98000112.2S95 E96 S97 V101 V102 E103 F134 Y137 L138 V141S95-F99 WeakPolarHBondContact O-CB 3.35Å; S95-F99 PolarHBondContact O-N 3.49Å; E96-F99 PolarHBondContact O-N 3.18Å; S97-F99 PolarHBondContact O-N 2.95Å; F99-V101 PolarHBondContact O-N 3.21Å; F99-V102 PolarHBondContact O-N 3.46Å; F99-E103 HydrophobicContact CE1-CB 4.29Å; F99-E103 HydrophobicContact CZ-CB 4.4Å; F99-E103 WeakPolarHBondContact O-CB 3.36Å; F99-E103 PolarHBondContact O-N 2.81Å; F99-F134 HydrophobicContact CB-CD2 3.97Å; F99-F134 HydrophobicContact CB-CE2 4.27Å; F99-F134 HydrophobicContact CD2-CD2 4.35Å; F99-F134 HydrophobicContact CD2-CE2 4.05Å; F99-Y137 HydrophobicContact CB-CD2 4.33Å; F99-Y137 HydrophobicContact CB-CG 4.33Å; F99-Y137 HydrophobicContact CD1-CG 4.49Å; F99-Y137 HydrophobicContact CG-CG 4.26Å; F99-L138 HydrophobicContact CE2-CB 4.43Å; F99-L138 HydrophobicContact CE2-CD1 4.42Å; F99-V141 HydrophobicContact CZ-CG2 3.87Å
100Q93.6Very high89.8Confident81 Ų8161.1 Ų61.138%0.37931%0.312SS..Hα-helixtrans-58.3-46.3177.6-74.5171-6.500111.7E96 S97 V102 E103 E104E96-Q100 WeakPolarHBondContact O-CG 3.33Å; E96-Q100 PolarHBondContact O-N 2.99Å; S97-Q100 PolarHBondContact O-N 3.12Å; Q100-V102 VanDerWaalsContact C-N 3.31Å; Q100-V102 PolarHBondContact O-N 3.15Å; Q100-E103 PolarHBondContact O-N 2.86Å; Q100-E104 VanDerWaalsContact O-CB 3.3Å; Q100-E104 WeakPolarHBondContact O-CB 3.37Å; Q100-E104 VanDerWaalsContact O-CG 3.26Å; Q100-E104 WeakPolarHBondContact O-CG 3.39Å; Q100-E104 PolarHBondContact O-N 2.72Å
101V93.6Very high91Very high28 Ų2856.3 Ų56.317%0.1728%0.278CS..Hα-helixtrans-61.3-40.1178.1169.70000111.9L68 K87 L89 S97 I98 F99 F105L68-V101 HydrophobicContact CD2-CB 4.33Å; L68-V101 HydrophobicContact CD2-CG1 3.96Å; K87-V101 HydrophobicContact CB-CG1 3.58Å; K87-V101 HydrophobicContact CG-CG1 4.08Å; L89-V101 HydrophobicContact CD2-CB 4.5Å; L89-V101 HydrophobicContact CD2-CG2 4.08Å; S97-V101 WeakPolarHBondContact O-CG2 3.46Å; S97-V101 PolarHBondContact O-N 2.95Å; I98-V101 PolarHBondContact O-N 2.83Å; F99-V101 PolarHBondContact O-N 3.21Å; V101-F105 WeakPolarHBondContact O-CB 3.45Å; V101-F105 PolarHBondContact O-N 3.43Å; V101-F105 VanDerWaalsContact O-N 3.1Å
102V94.4Very high92.4Very high6 Ų654.4 Ų54.44%0.03627%0.268CS..Hα-helixtrans-67.4-46.3175.7174.70000111L54 L56 L68 I98 F99 Q100 F105 F106 L113 F134L54-V102 HydrophobicContact CD2-CG1 4.2Å; L56-V102 HydrophobicContact CD1-CG2 4.08Å; L56-V102 HydrophobicContact CD2-CG2 4.11Å; L68-V102 HydrophobicContact CD2-CG2 3.72Å; I98-V102 WeakPolarHBondContact O-CG2 3.37Å; I98-V102 PolarHBondContact O-N 2.87Å; I98-V102 VanDerWaalsContact O-N 3.15Å; F99-V102 PolarHBondContact O-N 3.46Å; Q100-V102 VanDerWaalsContact C-N 3.31Å; Q100-V102 PolarHBondContact O-N 3.15Å; V102-F105 PolarHBondContact O-N 3.09Å; V102-F106 HydrophobicContact CG1-CD2 4.01Å; V102-F106 HydrophobicContact CG1-CE2 4.02Å; V102-F106 VanDerWaalsContact O-CD2 3.24Å; V102-F106 WeakPolarHBondContact O-CD2 3.24Å; V102-F106 PolarHBondContact O-N 3.01Å; V102-L113 HydrophobicContact CG1-CD2 4.32Å; V102-F134 HydrophobicContact CB-CE2 4.16Å; V102-F134 HydrophobicContact CG1-CE2 4.47Å; V102-F134 HydrophobicContact CG1-CZ 4.45Å; V102-F134 HydrophobicContact CG2-CE2 3.92Å; V102-F134 HydrophobicContact CG2-CZ 4.37Å
103E95.1Very high93.2Very high76 Ų7653.3 Ų53.336%0.35526%0.262SS..Hα-helixtrans-61.4-47.3179.5-179.2172-122.400111.6F99 Q100 F105 F106 M107 L113F99-E103 HydrophobicContact CE1-CB 4.29Å; F99-E103 HydrophobicContact CZ-CB 4.4Å; F99-E103 WeakPolarHBondContact O-CB 3.36Å; F99-E103 PolarHBondContact O-N 2.81Å; Q100-E103 PolarHBondContact O-N 2.86Å; E103-F105 VanDerWaalsContact C-N 3.34Å; E103-F105 PolarHBondContact O-N 3.03Å; E103-F106 PolarHBondContact O-N 2.91Å; E103-M107 VanDerWaalsContact O-CB 3.3Å; E103-M107 WeakPolarHBondContact O-CB 3.32Å; E103-M107 PolarHBondContact O-N 3Å; E103-L113 HydrophobicContact CB-CD1 4.32Å; E103-L113 HydrophobicContact CG-CD1 4.11Å
104E94.9Very high93.8Very high112 Ų11253.4 Ų53.452%0.52327%0.267SS..Hα-helixtrans-59.4-43.9176.7-75.3175.8-17600111.6Q100 M107 E108Q100-E104 VanDerWaalsContact O-CB 3.3Å; Q100-E104 WeakPolarHBondContact O-CB 3.37Å; Q100-E104 VanDerWaalsContact O-CG 3.26Å; Q100-E104 WeakPolarHBondContact O-CG 3.39Å; Q100-E104 PolarHBondContact O-N 2.72Å; E104-M107 PolarHBondContact O-N 3.03Å; E104-E108 VanDerWaalsContact O-CB 3.29Å; E104-E108 WeakPolarHBondContact O-CB 3.31Å; E104-E108 PolarHBondContact O-N 2.84Å
105F93.8Very high94.2Very high18 Ų1848.1 Ų48.18%0.07925%0.249CC..Hα-helixtrans-61.9-47.9176.8179.4-97.6000111.7F85 V101 V102 E103 M107 E108 K109F85-F105 HydrophobicContact CD1-CE2 4.19Å; F85-F105 AromaticContact CD1-CZ 3.79Å; F85-F105 HydrophobicContact CD1-CZ 3.79Å; F85-F105 HydrophobicContact CD2-CE1 4.13Å; F85-F105 AromaticContact CD2-CZ 3.93Å; F85-F105 HydrophobicContact CD2-CZ 3.93Å; F85-F105 HydrophobicContact CE1-CE2 4.36Å; F85-F105 AromaticContact CE1-CZ 3.71Å; F85-F105 HydrophobicContact CE1-CZ 3.71Å; F85-F105 HydrophobicContact CE2-CE1 4.04Å; F85-F105 AromaticContact CE2-CZ 3.84Å; F85-F105 HydrophobicContact CE2-CZ 3.84Å; F85-F105 HydrophobicContact CG-CE1 4.43Å; F85-F105 HydrophobicContact CG-CE2 4.4Å; F85-F105 AromaticContact CG-CZ 3.85Å; F85-F105 HydrophobicContact CG-CZ 3.85Å; F85-F105 HydrophobicContact CZ-CE1 4.27Å; F85-F105 AromaticContact CZ-CZ 3.67Å; F85-F105 HydrophobicContact CZ-CZ 3.67Å; V101-F105 WeakPolarHBondContact O-CB 3.45Å; V101-F105 PolarHBondContact O-N 3.43Å; V101-F105 VanDerWaalsContact O-N 3.1Å; V102-F105 PolarHBondContact O-N 3.09Å; E103-F105 VanDerWaalsContact C-N 3.34Å; E103-F105 PolarHBondContact O-N 3.03Å; F105-M107 VanDerWaalsContact C-N 3.33Å; F105-M107 PolarHBondContact O-N 2.84Å; F105-E108 PolarHBondContact O-N 2.86Å; F105-K109 HydrophobicContact CD2-CG 4.48Å; F105-K109 HydrophobicContact CE1-CG 4.24Å; F105-K109 HydrophobicContact CE2-CG 4.14Å; F105-K109 HydrophobicContact CZ-CG 4Å; F105-K109 WeakPolarHBondContact O-CG 3.27Å; F105-K109 PolarHBondContact O-N 3.25Å
106F94.9Very high94.4Very high6 Ų647.6 Ų47.63%0.02625%0.245CC..Hα-helixtrans-63.4-40.9179.3-87.8-116.9000111.4L52 V102 E103 K109 A110 V111 L113 I116L52-F106 HydrophobicContact CD1-CZ 4.34Å; L52-F106 HydrophobicContact CD2-CE1 4Å; L52-F106 HydrophobicContact CD2-CZ 4.29Å; V102-F106 HydrophobicContact CG1-CD2 4.01Å; V102-F106 HydrophobicContact CG1-CE2 4.02Å; V102-F106 VanDerWaalsContact O-CD2 3.24Å; V102-F106 WeakPolarHBondContact O-CD2 3.24Å; V102-F106 PolarHBondContact O-N 3.01Å; E103-F106 PolarHBondContact O-N 2.91Å; F106-K109 PolarHBondContact O-N 3.42Å; F106-A110 PolarHBondContact O-N 2.9Å; F106-A110 VanDerWaalsContact O-N 3.08Å; F106-V111 CarbonylContact C-O 3.56Å; F106-V111 WeakPolarHBondContact CB-O 3.33Å; F106-V111 HydrophobicContact CD1-CB 3.96Å; F106-V111 HydrophobicContact CD1-CG1 3.65Å; F106-V111 HydrophobicContact CE1-CG1 3.79Å; F106-V111 HydrophobicContact CG-CB 4.48Å; F106-V111 PolarHBondContact O-N 2.96Å; F106-L113 HydrophobicContact CB-CD2 3.92Å; F106-L113 HydrophobicContact CB-CG 4.22Å; F106-L113 HydrophobicContact CD1-CD2 3.69Å; F106-L113 HydrophobicContact CD1-CG 4.3Å; F106-L113 HydrophobicContact CD2-CD2 4.22Å; F106-L113 HydrophobicContact CE1-CD2 4.22Å; F106-L113 HydrophobicContact CG-CD2 3.68Å; F106-L113 HydrophobicContact CG-CG 4.4Å; F106-I116 HydrophobicContact CE1-CD1 3.91Å; F106-I116 HydrophobicContact CE1-CG1 3.94Å; F106-I116 HydrophobicContact CZ-CD1 4.05Å; F106-I116 HydrophobicContact CZ-CG1 4.23Å
107M95.6Very high94.5Very high145 Ų14547.4 Ų47.471%0.71425%0.246SC*.Hα-helixtrans-62.6-49174.7-175.5179.665.500112E103 E104 F105 K109 A110E103-M107 VanDerWaalsContact O-CB 3.3Å; E103-M107 WeakPolarHBondContact O-CB 3.32Å; E103-M107 PolarHBondContact O-N 3Å; E104-M107 PolarHBondContact O-N 3.03Å; F105-M107 VanDerWaalsContact C-N 3.33Å; F105-M107 PolarHBondContact O-N 2.84Å; M107-K109 PolarHBondContact O-N 3.12Å; M107-A110 PolarHBondContact O-N 3.27Å
108E95.2Very high94.7Very high114 Ų11447.7 Ų47.753%0.53325%0.248SC..Hα-helixtrans-55.2-40.6177.7-171.3-158.4133.700111K87 E104 F105 A110K87-E108 IonicContact NZ-OE2 3.87Å; E104-E108 VanDerWaalsContact O-CB 3.29Å; E104-E108 WeakPolarHBondContact O-CB 3.31Å; E104-E108 PolarHBondContact O-N 2.84Å; F105-E108 PolarHBondContact O-N 2.86Å; E108-A110 VanDerWaalsContact C-N 3.31Å; E108-A110 PolarHBondContact O-N 2.89Å
109K94.1Very high94.8Very high26 Ų2647.6 Ų47.611%0.11325%0.248CC..THydrogen-bonded Turntrans-86.3-0.2-179.2-58.6-49.4-177.2-167.10114.2E40 C44 R48 F105 F106 M107 V111E40-K109 WeakPolarHBondContact OE1-CE 3.08Å; E40-K109 IonicContact OE1-NZ 2.7Å; E40-K109 PolarHBondContact OE1-NZ 2.81Å; C44-K109 HydrophobicContact CB-CB 4.05Å; C44-K109 HydrophobicContact CB-CD 4.43Å; C44-K109 HydrophobicContact CB-CG 4.26Å; R48-K109 VanDerWaalsContact CZ-O 3.3Å; R48-K109 PolarHBondContact NE-O 3.03Å; R48-K109 PolarHBondContact NH2-O 3.14Å; F105-K109 HydrophobicContact CD2-CG 4.48Å; F105-K109 HydrophobicContact CE1-CG 4.24Å; F105-K109 HydrophobicContact CE2-CG 4.14Å; F105-K109 HydrophobicContact CZ-CG 4Å; F105-K109 WeakPolarHBondContact O-CG 3.27Å; F105-K109 PolarHBondContact O-N 3.25Å; F106-K109 PolarHBondContact O-N 3.42Å; M107-K109 PolarHBondContact O-N 3.12Å; K109-V111 HydrophobicContact CB-CG2 3.95Å; K109-V111 PolarHBondContact O-N 3.4Å
110A96.2Very high94.8Very high65 Ų6547.9 Ų47.954%0.53725%0.254SS..THydrogen-bonded Turntrans52.237.6-172.900000112.6R48 F106 M107 E108R48-A110 WeakPolarHBondContact CD-O 3.13Å; R48-A110 WeakPolarHBondContact CG-O 3.4Å; F106-A110 PolarHBondContact O-N 2.9Å; F106-A110 VanDerWaalsContact O-N 3.08Å; M107-A110 PolarHBondContact O-N 3.27Å; E108-A110 VanDerWaalsContact C-N 3.31Å; E108-A110 PolarHBondContact O-N 2.89Å
111V95.4Very high94.8Very high8 Ų844.4 Ų44.45%0.04824%0.238CC..  trans-98.5126.5172.7-179.90000107.5L47 R48 L52 F106 K109L47-V111 HydrophobicContact CB-CG1 3.97Å; L47-V111 HydrophobicContact CB-CG2 3.87Å; R48-V111 HydrophobicContact CG-CG2 4.09Å; L52-V111 HydrophobicContact CD2-CG1 4.23Å; F106-V111 CarbonylContact C-O 3.56Å; F106-V111 WeakPolarHBondContact CB-O 3.33Å; F106-V111 HydrophobicContact CD1-CB 3.96Å; F106-V111 HydrophobicContact CD1-CG1 3.65Å; F106-V111 HydrophobicContact CE1-CG1 3.79Å; F106-V111 HydrophobicContact CG-CB 4.48Å; F106-V111 PolarHBondContact O-N 2.96Å; K109-V111 HydrophobicContact CB-CG2 3.95Å; K109-V111 PolarHBondContact O-N 3.4Å
112S95.5Very high94.5Very high56 Ų5647.1 Ų47.139%0.39225%0.252SS..  trans-71.4132178.4-176.20000110.6Q114 N115S112-Q114 PolarHBondContact O-N 2.83Å; S112-Q114 WeakPolarHBondContact OG-CB 3.04Å; S112-Q114 WeakPolarHBondContact OG-CG 2.97Å; S112-Q114 PolarHBondContact OG-N 2.52Å; S112-N115 VanDerWaalsContact O-CB 3.29Å; S112-N115 WeakPolarHBondContact O-CB 3.44Å; S112-N115 PolarHBondContact O-N 3.21Å
113L95.7Very high94.2Very high17 Ų1748.4 Ų48.49%0.08927%0.266CS..G310 helixtrans-58.5-25.5168.9-72.9172.4000111.7V102 E103 F106 N115 I116 V141 V142V102-L113 HydrophobicContact CG1-CD2 4.32Å; E103-L113 HydrophobicContact CB-CD1 4.32Å; E103-L113 HydrophobicContact CG-CD1 4.11Å; F106-L113 HydrophobicContact CB-CD2 3.92Å; F106-L113 HydrophobicContact CB-CG 4.22Å; F106-L113 HydrophobicContact CD1-CD2 3.69Å; F106-L113 HydrophobicContact CD1-CG 4.3Å; F106-L113 HydrophobicContact CD2-CD2 4.22Å; F106-L113 HydrophobicContact CE1-CD2 4.22Å; F106-L113 HydrophobicContact CG-CD2 3.68Å; F106-L113 HydrophobicContact CG-CG 4.4Å; L113-N115 PolarHBondContact O-N 2.97Å; L113-N115 VanDerWaalsContact O-N 3.09Å; L113-I116 HydrophobicContact CB-CD1 4.49Å; L113-I116 HydrophobicContact CD2-CD1 3.65Å; L113-I116 WeakPolarHBondContact O-CB 3.41Å; L113-I116 WeakPolarHBondContact O-CG1 3.28Å; L113-I116 PolarHBondContact O-N 2.94Å; L113-V141 HydrophobicContact CB-CG1 4.15Å; L113-V141 HydrophobicContact CD1-CG1 3.96Å; L113-V142 HydrophobicContact CB-CG2 3.98Å; L113-V142 VanDerWaalsContact O-CG2 3.24Å; L113-V142 WeakPolarHBondContact O-CG2 3.43Å
114Q94.9Very high93.9Very high104 Ų10445.9 Ų45.949%0.48626%0.259SS..G310 helixtrans-62.1-16.2175.3-57.4-61.3-20.900113.5S112 I116 V141S112-Q114 PolarHBondContact O-N 2.83Å; S112-Q114 WeakPolarHBondContact OG-CB 3.04Å; S112-Q114 WeakPolarHBondContact OG-CG 2.97Å; S112-Q114 PolarHBondContact OG-N 2.52Å; Q114-I116 PolarHBondContact O-N 3.25Å; Q114-V141 PolarHBondContact NE2-O 3.05Å
115N94.9Very high93.6Very high29 Ų2945.9 Ų45.916%0.15527%0.268CS..G310 helixtrans-75.4-13.4176.7-66.84000112.1L47 R48 K50 E51 L52 S112 L113 I117L47-N115 PolarHBondContact O-ND2 3.13Å; R48-N115 PolarHBondContact O-ND2 3Å; R48-N115 VanDerWaalsContact O-ND2 3.14Å; K50-N115 WeakPolarHBondContact O-CB 3.39Å; K50-N115 PolarHBondContact O-ND2 3.27Å; E51-N115 CarbonylContact C-O 3.57Å; E51-N115 WeakPolarHBondContact CA-O 3.36Å; L52-N115 HydrophobicContact CD2-CB 4.22Å; L52-N115 HydrophobicContact CG-CB 4.49Å; L52-N115 PolarHBondContact N-O 2.77Å; S112-N115 VanDerWaalsContact O-CB 3.29Å; S112-N115 WeakPolarHBondContact O-CB 3.44Å; S112-N115 PolarHBondContact O-N 3.21Å; L113-N115 PolarHBondContact O-N 2.97Å; L113-N115 VanDerWaalsContact O-N 3.09Å; N115-I117 PolarHBondContact O-N 3.26Å
116I95.5Very high93.4Very high3 Ų346.3 Ų46.32%0.01528%0.275CS..EExtended strand (participates in β ladder)trans-73.6111.3178.6-60.4167.4000109.1L52 L54 F106 L113 Q114 V119 L138 V145L52-I116 HydrophobicContact CD1-CB 4.37Å; L52-I116 HydrophobicContact CD1-CG1 3.72Å; L52-I116 HydrophobicContact CG-CG1 4.38Å; L52-I116 WeakPolarHBondContact O-CA 3.31Å; L54-I116 HydrophobicContact CD2-CD1 4.21Å; F106-I116 HydrophobicContact CE1-CD1 3.91Å; F106-I116 HydrophobicContact CE1-CG1 3.94Å; F106-I116 HydrophobicContact CZ-CD1 4.05Å; F106-I116 HydrophobicContact CZ-CG1 4.23Å; L113-I116 HydrophobicContact CB-CD1 4.49Å; L113-I116 HydrophobicContact CD2-CD1 3.65Å; L113-I116 WeakPolarHBondContact O-CB 3.41Å; L113-I116 WeakPolarHBondContact O-CG1 3.28Å; L113-I116 PolarHBondContact O-N 2.94Å; Q114-I116 PolarHBondContact O-N 3.25Å; I116-V119 HydrophobicContact CG2-CG2 3.47Å; I116-V119 VanDerWaalsContact CG2-CG2 3.47Å; I116-L138 HydrophobicContact CD1-CD1 4.08Å; I116-L138 HydrophobicContact CG2-CD2 4.49Å; I116-V145 HydrophobicContact CG2-CG1 4.15Å; I116-V145 HydrophobicContact CG2-CG2 4.38Å
117I94.4Very high93.2Very high77 Ų7746.2 Ų46.240%0.39528%0.275SS..EExtended strand (participates in β ladder)trans-102.2-9.8178.260.2158.7000113.6E51 L52 N115 P146E51-I117 HydrophobicContact CB-CD1 4.14Å; E51-I117 HydrophobicContact CB-CG1 4.25Å; E51-I117 HydrophobicContact CB-CG2 3.68Å; E51-I117 HydrophobicContact CG-CG2 3.71Å; L52-I117 VanDerWaalsContact O-CG1 3.27Å; L52-I117 WeakPolarHBondContact O-CG1 3.26Å; L52-I117 PolarHBondContact O-N 2.9Å; N115-I117 PolarHBondContact O-N 3.26Å; I117-P146 WeakPolarHBondContact O-CD 3.45Å; I117-P146 WeakPolarHBondContact O-CG 3.39Å
118A94.3Very high92.9Very high10 Ų1042 Ų428%0.08326%0.255CS..EExtended strand (participates in β ladder)trans-160.6143.4178.200000110.5S53 L54 P146 I148S53-A118 WeakPolarHBondContact CA-O 3.45Å; L54-A118 PolarHBondContact N-O 3.34Å; A118-P146 HydrophobicContact CB-CG 4.46Å; A118-I148 HydrophobicContact CB-CD1 3.66Å; A118-I148 HydrophobicContact CB-CG1 4.32Å
119V94.8Very high92.4Very high0 Ų038.9 Ų38.90%025%0.246CC..EExtended strand (participates in β ladder)trans-129.6132.8173.5178.20000111.7L54 I116 T121 F134 I135 L138 V145 P146 W147 I148L54-V119 HydrophobicContact CB-CG2 4.27Å; L54-V119 CarbonylContact O-C 3.53Å; L54-V119 WeakPolarHBondContact O-CA 3.39Å; I116-V119 HydrophobicContact CG2-CG2 3.47Å; I116-V119 VanDerWaalsContact CG2-CG2 3.47Å; V119-T121 HydrophobicContact CG1-CG2 3.88Å; V119-F134 HydrophobicContact CG1-CE1 4.12Å; V119-I135 HydrophobicContact CB-CD1 3.97Å; V119-I135 HydrophobicContact CG1-CD1 3.61Å; V119-L138 HydrophobicContact CB-CD2 4.47Å; V119-L138 HydrophobicContact CG2-CD2 3.52Å; V119-V145 HydrophobicContact CB-CG1 4.09Å; V119-V145 HydrophobicContact CG2-CG1 3.64Å; V119-P146 PolarHBondContact N-O 2.8Å; V119-P146 VanDerWaalsContact N-O 3.15Å; V119-W147 WeakPolarHBondContact O-CA 3.1Å; V119-I148 PolarHBondContact O-N 3.15Å
120A94.3Very high91.7Very high24 Ų2443.3 Ų43.320%0.19828%0.278CS..EExtended strand (participates in β ladder)trans-114.6143.2168.900000110.1L54 Q55 L56 I148L54-A120 PolarHBondContact O-N 3.04Å; Q55-A120 CarbonylContact C-O 3.52Å; Q55-A120 VanDerWaalsContact CA-O 3.28Å; Q55-A120 WeakPolarHBondContact CA-O 3.24Å; Q55-A120 HydrophobicContact CB-CB 4.25Å; Q55-A120 HydrophobicContact CG-CB 4.07Å; L56-A120 PolarHBondContact N-O 3.45Å; A120-I148 WeakPolarHBondContact CA-O 3.3Å
121T92.8Very high90.9Very high8 Ų848.4 Ų48.45%0.04929%0.291CS..EExtended strand (participates in β ladder)trans-143.3158.318066.90000109.3L56 V119 G123 M127 I135L56-T121 HydrophobicContact CB-CG2 4.48Å; L56-T121 WeakPolarHBondContact O-CA 3.2Å; V119-T121 HydrophobicContact CG1-CG2 3.88Å; T121-G123 PolarHBondContact O-N 3.35Å; T121-M127 HydrophobicContact CG2-CB 4.02Å; T121-M127 HydrophobicContact CG2-CE 3.85Å; T121-M127 HydrophobicContact CG2-CG 4.39Å; T121-I135 HydrophobicContact CG2-CD1 4.28Å
122D88.8Confident90.4Very high85 Ų8556.5 Ų56.546%0.45532%0.321SS..  trans-59.8-13.8175.977.3-29.5000115.1A124 M127D122-A124 WeakPolarHBondContact OD1-CB 3.09Å; D122-A124 PolarHBondContact OD1-N 3.24Å; D122-A124 WeakPolarHBondContact OD2-CB 3.11Å; D122-M127 WeakPolarHBondContact OD1-CG 3.46Å
123G87.9Confident90.1Very high33 Ų3353.8 Ų53.834%0.3430%0.302SS..  trans89.67.9178.400000114.2T121 L128T121-G123 PolarHBondContact O-N 3.35Å; G123-L128 VanDerWaalsContact CA-CD1 3.45Å
124A88.1Confident89.9Confident24 Ų2453 Ų5320%0.19830%0.298CS..  trans-56.9152176.200000111.7D122 A126 M127 L128D122-A124 WeakPolarHBondContact OD1-CB 3.09Å; D122-A124 PolarHBondContact OD1-N 3.24Å; D122-A124 WeakPolarHBondContact OD2-CB 3.11Å; A124-A126 PolarHBondContact O-N 3.47Å; A124-A126 VanDerWaalsContact O-N 3.12Å; A124-M127 HydrophobicContact CB-CG 4.35Å; A124-M127 WeakPolarHBondContact O-CA 3.27Å; A124-M127 WeakPolarHBondContact O-CB 3.47Å; A124-M127 PolarHBondContact O-N 2.91Å; A124-L128 PolarHBondContact O-N 3Å
125P88.5Confident89.8Confident111 Ų11148.7 Ų48.772%0.72128%0.278SS*.Hα-helixtrans-54.5-33.6177.6-28.235.5000113.9M127 S129P125-M127 PolarHBondContact O-N 2.96Å; P125-S129 WeakPolarHBondContact O-CB 3.31Å; P125-S129 PolarHBondContact O-N 2.81Å; P125-S129 VanDerWaalsContact O-N 3.08Å
126A88.9Confident89.6Confident28 Ų2848.6 Ų48.623%0.23128%0.28CS..Hα-helixtrans-64.8-27174.800000112.6R93 S95 I98 A124 G133 F134R93-A126 WeakPolarHBondContact O-CB 3.31Å; S95-A126 WeakPolarHBondContact CB-O 3.24Å; I98-A126 HydrophobicContact CD1-CB 4.4Å; A124-A126 PolarHBondContact O-N 3.47Å; A124-A126 VanDerWaalsContact O-N 3.12Å; A126-G133 CarbonylContact O-C 3.56Å; A126-G133 VanDerWaalsContact O-CA 3.31Å; A126-G133 WeakPolarHBondContact O-CA 3.38Å; A126-F134 PolarHBondContact O-N 2.81Å
127M91.7Very high89.5Confident3 Ų351.1 Ų51.12%0.01529%0.289CS..Hα-helixtrans-88.5-45.1-179.8-58.5-54.2-105.200112L56 I98 T121 D122 A124 P125 F134 I135L56-M127 HydrophobicContact CB-CE 3.28Å; L56-M127 HydrophobicContact CD1-CE 3.84Å; L56-M127 HydrophobicContact CG-CE 4.22Å; I98-M127 HydrophobicContact CD1-SD 3.83Å; I98-M127 HydrophobicContact CG2-CE 4.28Å; I98-M127 HydrophobicContact CG2-SD 4.14Å; T121-M127 HydrophobicContact CG2-CB 4.02Å; T121-M127 HydrophobicContact CG2-CE 3.85Å; T121-M127 HydrophobicContact CG2-CG 4.39Å; D122-M127 WeakPolarHBondContact OD1-CG 3.46Å; A124-M127 HydrophobicContact CB-CG 4.35Å; A124-M127 WeakPolarHBondContact O-CA 3.27Å; A124-M127 WeakPolarHBondContact O-CB 3.47Å; A124-M127 PolarHBondContact O-N 2.91Å; P125-M127 PolarHBondContact O-N 2.96Å; M127-F134 PolarHBondContact O-N 2.86Å; M127-F134 HydrophobicContact SD-CB 3.86Å; M127-F134 HydrophobicContact SD-CG 4.38Å; M127-I135 WeakPolarHBondContact O-CG1 3.11Å; M127-I135 PolarHBondContact O-N 2.92Å; M127-I135 VanDerWaalsContact O-N 3.09Å
128L89.1Confident89.5Confident58 Ų5847.5 Ų47.530%0.30427%0.271SS..Hα-helixtrans-102.3-9.6-168.1-64.7-172.1000116.5G123 A124 C130 I135 W147G123-L128 VanDerWaalsContact CA-CD1 3.45Å; A124-L128 PolarHBondContact O-N 3Å; L128-C130 PolarHBondContact O-N 2.92Å; L128-I135 HydrophobicContact CD2-CG1 4.21Å; L128-W147 HydrophobicContact CD1-CH2 4.44Å; L128-W147 HydrophobicContact CD1-CZ2 3.85Å; L128-W147 HydrophobicContact CD2-CD2 4.23Å; L128-W147 HydrophobicContact CD2-CG 4.32Å; L128-W147 HydrophobicContact CD2-CZ2 4.11Å
129S85.1Confident89.3Confident48 Ų4852.3 Ų52.334%0.33629%0.29SS..  trans-53.2126-177.3169.10000112.2P125 Q131 R132 G133 S136P125-S129 WeakPolarHBondContact O-CB 3.31Å; P125-S129 PolarHBondContact O-N 2.81Å; P125-S129 VanDerWaalsContact O-N 3.08Å; S129-Q131 PolarHBondContact O-N 2.91Å; S129-Q131 VanDerWaalsContact O-N 3.15Å; S129-R132 PolarHBondContact O-N 3.17Å; S129-R132 PolarHBondContact OG-N 2.55Å; S129-G133 WeakPolarHBondContact O-CA 3.49Å; S129-G133 PolarHBondContact O-N 2.88Å; S129-S136 PolarHBondContact O-OG 2.7Å
130C78.6Confident89.2Confident118 Ų11859 Ų5980%0.79732%0.324SS*.THydrogen-bonded Turntrans-62.3-27.3-174.5-60.60000114L128 S136L128-C130 PolarHBondContact O-N 2.92Å; C130-S136 PolarHBondContact O-OG 2.97Å
131Q79.6Confident89.1Confident172 Ų17260.2 Ų60.280%0.80433%0.329SS*.THydrogen-bonded Turntrans-100.2-32.8-176.6-66.8-177.4-5.100113S129S129-Q131 PolarHBondContact O-N 2.91Å; S129-Q131 VanDerWaalsContact O-N 3.15Å
132R85.4Confident89.1Confident178 Ų17860.2 Ų60.267%0.67233%0.329SS*.THydrogen-bonded Turntrans-146.432-170.3-63.2-173.1177.9176.1-1.6111.1S95 S129S95-R132 WeakPolarHBondContact CB-O 3.37Å; S95-R132 PolarHBondContact OG-O 3.47Å; S129-R132 PolarHBondContact O-N 3.17Å; S129-R132 PolarHBondContact OG-N 2.55Å
133G88.7Confident88.5Confident0 Ų060.6 Ų60.60%034%0.338CS..SBendtrans-91.2159.3171.400000110.2A126 S129 I135 S136 Y137A126-G133 CarbonylContact O-C 3.56Å; A126-G133 VanDerWaalsContact O-CA 3.31Å; A126-G133 WeakPolarHBondContact O-CA 3.38Å; S129-G133 WeakPolarHBondContact O-CA 3.49Å; S129-G133 PolarHBondContact O-N 2.88Å; G133-I135 PolarHBondContact O-N 3.38Å; G133-S136 WeakPolarHBondContact O-CB 3.48Å; G133-S136 PolarHBondContact O-N 2.82Å; G133-Y137 VanDerWaalsContact O-CD2 3.31Å; G133-Y137 WeakPolarHBondContact O-CD2 3.36Å; G133-Y137 PolarHBondContact O-N 2.73Å
134F92.2Very high88.1Confident0 Ų065.6 Ų65.60%036%0.357CS..Hα-helixtrans-48.7-46.8172.4169.8-94.8000111.6L56 I98 F99 V102 V119 A126 M127 S136 Y137 L138L56-F134 HydrophobicContact CD1-CD1 3.85Å; L56-F134 HydrophobicContact CD1-CD2 4.09Å; L56-F134 HydrophobicContact CD1-CE1 3.39Å; L56-F134 HydrophobicContact CD1-CE2 3.63Å; L56-F134 HydrophobicContact CD1-CG 4.19Å; L56-F134 HydrophobicContact CD1-CZ 3.28Å; I98-F134 HydrophobicContact CB-CD2 4.44Å; I98-F134 HydrophobicContact CG2-CD2 3.69Å; I98-F134 HydrophobicContact CG2-CE2 4.28Å; I98-F134 HydrophobicContact CG2-CG 4.29Å; F99-F134 HydrophobicContact CB-CD2 3.97Å; F99-F134 HydrophobicContact CB-CE2 4.27Å; F99-F134 HydrophobicContact CD2-CD2 4.35Å; F99-F134 HydrophobicContact CD2-CE2 4.05Å; V102-F134 HydrophobicContact CB-CE2 4.16Å; V102-F134 HydrophobicContact CG1-CE2 4.47Å; V102-F134 HydrophobicContact CG1-CZ 4.45Å; V102-F134 HydrophobicContact CG2-CE2 3.92Å; V102-F134 HydrophobicContact CG2-CZ 4.37Å; V119-F134 HydrophobicContact CG1-CE1 4.12Å; A126-F134 PolarHBondContact O-N 2.81Å; M127-F134 PolarHBondContact O-N 2.86Å; M127-F134 HydrophobicContact SD-CB 3.86Å; M127-F134 HydrophobicContact SD-CG 4.38Å; F134-S136 PolarHBondContact O-N 3.12Å; F134-Y137 PolarHBondContact O-N 3.49Å; F134-Y137 VanDerWaalsContact O-N 3.13Å; F134-L138 HydrophobicContact CE1-CB 4.34Å; F134-L138 HydrophobicContact CE1-CD2 4Å; F134-L138 HydrophobicContact CZ-CB 4.47Å; F134-L138 HydrophobicContact CZ-CD2 4.31Å; F134-L138 PolarHBondContact O-N 3.08Å
135I91.4Very high87.6Confident13 Ų1365 Ų657%0.06735%0.351CS..Hα-helixtrans-60.9-33.5-179.6-62.9-64.6000111.9V119 T121 M127 L128 G133 L138 K139V119-I135 HydrophobicContact CB-CD1 3.97Å; V119-I135 HydrophobicContact CG1-CD1 3.61Å; T121-I135 HydrophobicContact CG2-CD1 4.28Å; M127-I135 WeakPolarHBondContact O-CG1 3.11Å; M127-I135 PolarHBondContact O-N 2.92Å; M127-I135 VanDerWaalsContact O-N 3.09Å; L128-I135 HydrophobicContact CD2-CG1 4.21Å; G133-I135 PolarHBondContact O-N 3.38Å; I135-L138 PolarHBondContact O-N 3.15Å; I135-K139 HydrophobicContact CG2-CD 4.09Å; I135-K139 HydrophobicContact CG2-CG 4.42Å; I135-K139 WeakPolarHBondContact O-CB 3.41Å; I135-K139 VanDerWaalsContact O-CG 3.3Å; I135-K139 WeakPolarHBondContact O-CG 3.35Å; I135-K139 PolarHBondContact O-N 3.19Å
136S91Very high87.2Confident28 Ų2863 Ų6320%0.19634%0.338CS..Hα-helixtrans-68.8-40.7177.1-630000112.1S129 C130 G133 F134S129-S136 PolarHBondContact O-OG 2.7Å; C130-S136 PolarHBondContact O-OG 2.97Å; G133-S136 WeakPolarHBondContact O-CB 3.48Å; G133-S136 PolarHBondContact O-N 2.82Å; F134-S136 PolarHBondContact O-N 3.12Å
137Y93.6Very high86.6Confident55 Ų5566.6 Ų66.622%0.21635%0.346CS..Hα-helixtrans-65-44.1173.3-68.6-67.3000111.4E96 F99 G133 F134 K139 I140E96-Y137 HydrophobicContact CB-CE2 4Å; F99-Y137 HydrophobicContact CB-CD2 4.33Å; F99-Y137 HydrophobicContact CB-CG 4.33Å; F99-Y137 HydrophobicContact CD1-CG 4.49Å; F99-Y137 HydrophobicContact CG-CG 4.26Å; G133-Y137 VanDerWaalsContact O-CD2 3.31Å; G133-Y137 WeakPolarHBondContact O-CD2 3.36Å; G133-Y137 PolarHBondContact O-N 2.73Å; F134-Y137 PolarHBondContact O-N 3.49Å; F134-Y137 VanDerWaalsContact O-N 3.13Å; Y137-K139 VanDerWaalsContact C-N 3.32Å; Y137-K139 PolarHBondContact O-N 2.9Å; Y137-I140 WeakPolarHBondContact O-CB 3.42Å; Y137-I140 PolarHBondContact O-N 3.15Å; Y137-I140 VanDerWaalsContact O-N 3.15Å
138L93.5Very high85.8Confident1 Ų170.6 Ų70.61%0.00537%0.366CS..Hα-helixtrans-59.9-41.4178.3-176.964.5000112.4F99 I116 V119 F134 I135 I140 V141 V142 V145F99-L138 HydrophobicContact CE2-CB 4.43Å; F99-L138 HydrophobicContact CE2-CD1 4.42Å; I116-L138 HydrophobicContact CD1-CD1 4.08Å; I116-L138 HydrophobicContact CG2-CD2 4.49Å; V119-L138 HydrophobicContact CB-CD2 4.47Å; V119-L138 HydrophobicContact CG2-CD2 3.52Å; F134-L138 HydrophobicContact CE1-CB 4.34Å; F134-L138 HydrophobicContact CE1-CD2 4Å; F134-L138 HydrophobicContact CZ-CB 4.47Å; F134-L138 HydrophobicContact CZ-CD2 4.31Å; F134-L138 PolarHBondContact O-N 3.08Å; I135-L138 PolarHBondContact O-N 3.15Å; L138-I140 PolarHBondContact O-N 3.5Å; L138-V141 PolarHBondContact O-N 3.43Å; L138-V142 HydrophobicContact CD1-CG2 3.9Å; L138-V142 PolarHBondContact O-N 3.09Å; L138-V145 HydrophobicContact CD2-CB 4.4Å; L138-V145 HydrophobicContact CD2-CG1 4.05Å; L138-V145 HydrophobicContact CD2-CG2 4.19Å; L138-V145 HydrophobicContact CG-CG2 4.34Å
139K91.9Very high84.6Confident112 Ų11274.6 Ų74.649%0.48740%0.396SS..Hα-helixtrans-64.8-20.7179.3-78.6176.4177.5178.90114.4I135 Y137 V141 V142I135-K139 HydrophobicContact CG2-CD 4.09Å; I135-K139 HydrophobicContact CG2-CG 4.42Å; I135-K139 WeakPolarHBondContact O-CB 3.41Å; I135-K139 VanDerWaalsContact O-CG 3.3Å; I135-K139 WeakPolarHBondContact O-CG 3.35Å; I135-K139 PolarHBondContact O-N 3.19Å; Y137-K139 VanDerWaalsContact C-N 3.32Å; Y137-K139 PolarHBondContact O-N 2.9Å; K139-V141 VanDerWaalsContact C-N 3.31Å; K139-V142 WeakPolarHBondContact CA-O 3.17Å
140I91.6Very high84.6Confident140 Ų14076 Ų7672%0.71840%0.399SS*.Hα-helixtrans-68.5-36.9172.8-64.3168000110.1Y137 L138Y137-I140 WeakPolarHBondContact O-CB 3.42Å; Y137-I140 PolarHBondContact O-N 3.15Å; Y137-I140 VanDerWaalsContact O-N 3.15Å; L138-I140 PolarHBondContact O-N 3.5Å
141V92.4Very high84.9Confident50 Ų5073.7 Ų73.730%0.30338%0.378SS..Hα-helixtrans-89.8-41.6-178.1-176.90000111.4F99 L113 Q114 L138 K139F99-V141 HydrophobicContact CZ-CG2 3.87Å; L113-V141 HydrophobicContact CB-CG1 4.15Å; L113-V141 HydrophobicContact CD1-CG1 3.96Å; Q114-V141 PolarHBondContact NE2-O 3.05Å; L138-V141 PolarHBondContact O-N 3.43Å; K139-V141 VanDerWaalsContact C-N 3.31Å
142V91.9Very high85.2Confident7 Ų768.3 Ų68.34%0.04235%0.354CS..SBendtrans-118.2104.2-175.2-167.50000109.3L113 L138 K139 N144 V145L113-V142 HydrophobicContact CB-CG2 3.98Å; L113-V142 VanDerWaalsContact O-CG2 3.24Å; L113-V142 WeakPolarHBondContact O-CG2 3.43Å; L138-V142 HydrophobicContact CD1-CG2 3.9Å; L138-V142 PolarHBondContact O-N 3.09Å; K139-V142 WeakPolarHBondContact CA-O 3.17Å; V142-N144 VanDerWaalsContact C-N 3.27Å; V142-N144 PolarHBondContact O-N 3.03Å; V142-N144 VanDerWaalsContact O-N 3.17Å; V142-V145 HydrophobicContact CB-CG2 3.45Å; V142-V145 VanDerWaalsContact CB-CG2 3.45Å; V142-V145 HydrophobicContact CG1-CG2 3.2Å; V142-V145 HydrophobicContact CG2-CG2 4.39Å
143S78Confident85.1Confident93 Ų9361.8 Ų61.865%0.6534%0.336SS*.THydrogen-bonded Turntrans-67.3-20.9-164.352.90000115.2
144N78.3Confident84.9Confident139 Ų13965.7 Ų65.774%0.74336%0.357SS*.THydrogen-bonded Turntrans-135.447.6-172.4-70.6-39.6000113.5V142 P146V142-N144 VanDerWaalsContact C-N 3.27Å; V142-N144 PolarHBondContact O-N 3.03Å; V142-N144 VanDerWaalsContact O-N 3.17Å; N144-P146 WeakPolarHBondContact O-CD 3.5Å
145V78.6Confident84.4Confident10 Ų1070.1 Ų70.16%0.06138%0.38CS..  trans-85.5109.7173.2-175.40000110.4I116 V119 L138 V142 W147I116-V145 HydrophobicContact CG2-CG1 4.15Å; I116-V145 HydrophobicContact CG2-CG2 4.38Å; V119-V145 HydrophobicContact CB-CG1 4.09Å; V119-V145 HydrophobicContact CG2-CG1 3.64Å; L138-V145 HydrophobicContact CD2-CB 4.4Å; L138-V145 HydrophobicContact CD2-CG1 4.05Å; L138-V145 HydrophobicContact CD2-CG2 4.19Å; L138-V145 HydrophobicContact CG-CG2 4.34Å; V142-V145 HydrophobicContact CB-CG2 3.45Å; V142-V145 VanDerWaalsContact CB-CG2 3.45Å; V142-V145 HydrophobicContact CG1-CG2 3.2Å; V142-V145 HydrophobicContact CG2-CG2 4.39Å; V145-W147 PolarHBondContact O-N 3.2Å
146P79.3Confident83.9Confident70 Ų7074.1 Ų74.146%0.45540%0.403SS..  trans-65.2132.9165.728.4-35000109.8I117 A118 V119 N144I117-P146 WeakPolarHBondContact O-CD 3.45Å; I117-P146 WeakPolarHBondContact O-CG 3.39Å; A118-P146 HydrophobicContact CB-CG 4.46Å; V119-P146 PolarHBondContact N-O 2.8Å; V119-P146 VanDerWaalsContact N-O 3.15Å; N144-P146 WeakPolarHBondContact O-CD 3.5Å
147W76Confident83.4Confident103 Ų10377.7 Ų77.739%0.3942%0.419SS..EExtended strand (participates in β ladder)trans-84.1133.8165.1168.669.4000108.9V119 L128 V145 P149V119-W147 WeakPolarHBondContact O-CA 3.1Å; L128-W147 HydrophobicContact CD1-CH2 4.44Å; L128-W147 HydrophobicContact CD1-CZ2 3.85Å; L128-W147 HydrophobicContact CD2-CD2 4.23Å; L128-W147 HydrophobicContact CD2-CG 4.32Å; L128-W147 HydrophobicContact CD2-CZ2 4.11Å; V145-W147 PolarHBondContact O-N 3.2Å; W147-P149 HydrophobicContact CE3-CG 4.3Å; W147-P149 HydrophobicContact CH2-CB 3.75Å; W147-P149 HydrophobicContact CH2-CG 3.65Å; W147-P149 HydrophobicContact CZ2-CB 3.95Å; W147-P149 HydrophobicContact CZ2-CG 4.17Å; W147-P149 HydrophobicContact CZ3-CB 4.34Å; W147-P149 HydrophobicContact CZ3-CG 3.71Å
148I75.7Confident82.5Confident87 Ų8779.6 Ų79.645%0.44644%0.436SS..EExtended strand (participates in β ladder)trans-111.8122.3176.7-54.6-178.3000107.8A118 V119 A120A118-I148 HydrophobicContact CB-CD1 3.66Å; A118-I148 HydrophobicContact CB-CG1 4.32Å; V119-I148 PolarHBondContact O-N 3.15Å; A120-I148 WeakPolarHBondContact CA-O 3.3Å
149P63.2Low81.5Confident143 Ų14386.7 Ų86.793%0.92948%0.475SS*.  trans-62.40173.8-13.324.3000113.7W147W147-P149 HydrophobicContact CE3-CG 4.3Å; W147-P149 HydrophobicContact CH2-CB 3.75Å; W147-P149 HydrophobicContact CH2-CG 3.65Å; W147-P149 HydrophobicContact CZ2-CB 3.95Å; W147-P149 HydrophobicContact CZ2-CG 4.17Å; W147-P149 HydrophobicContact CZ3-CB 4.34Å; W147-P149 HydrophobicContact CZ3-CG 3.71Å

Retrieved 149 of 149 residues in 155.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).