A0A5K4EZI3_SCHMA Loading...

Replication protein A subunit

AlphaFold DB , UniProt , Accession A0A5K4EZI3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 109 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
1M85.6Confident93.1Very high106 Ų10662.3 Ų62.352%0.52235%0.352SS..  0-41.20-64.8175.275.700113.4P3 N4 L5 I93 A97M1-P3 VanDerWaalsContact C-CD 3.47Å; M1-N4 PolarHBondContact O-N 2.88Å; M1-N4 VanDerWaalsContact O-N 3.1Å; M1-L5 HydrophobicContact CB-CD1 4.21Å; M1-I93 HydrophobicContact SD-CG2 3.94Å; M1-A97 HydrophobicContact CE-CB 4.28Å
2L90.8Very high93.3Very high13 Ų1358.1 Ų58.17%0.06833%0.328CS..G310 helixtrans-53.3-38.8-168.2-60.3173.2000118.5N4 L5 V10 I12 I36 V59 G64L2-N4 PolarHBondContact O-N 3.13Å; L2-N4 VanDerWaalsContact O-N 3.1Å; L2-L5 PolarHBondContact O-N 3.16Å; L2-V10 HydrophobicContact CD2-CG2 4.36Å; L2-I12 HydrophobicContact CD1-CD1 3.86Å; L2-I12 HydrophobicContact CD2-CD1 3.67Å; L2-I12 HydrophobicContact CD2-CG1 4.44Å; L2-I12 HydrophobicContact CG-CD1 4.4Å; L2-I36 HydrophobicContact CD1-CG2 3.63Å; L2-V59 HydrophobicContact CD2-CG2 4.12Å; L2-G64 VanDerWaalsContact CB-O 3.27Å; L2-G64 WeakPolarHBondContact CB-O 3.38Å; L2-G64 VanDerWaalsContact CD1-O 3.29Å; L2-G64 WeakPolarHBondContact CD1-O 3.31Å
3P91.5Very high93.6Very high47 Ų4754.2 Ų54.231%0.30531%0.307SS..G310 helixtrans-60.4-23.4178.4-22.130.6000113.7M1 L5 V6 R34 Q63M1-P3 VanDerWaalsContact C-CD 3.47Å; P3-L5 VanDerWaalsContact C-N 3.32Å; P3-V6 VanDerWaalsContact O-CG2 3.3Å; P3-V6 WeakPolarHBondContact O-CG2 3.4Å; P3-R34 VanDerWaalsContact CG-NH1 3.33Å; P3-Q63 WeakPolarHBondContact CG-O 3.42Å
4N92Very high93.9Very high146 Ų14650.5 Ų50.578%0.78129%0.286SS*.G310 helixtrans-90.21.1177.3-61.2-19.7000112.6M1 L2M1-N4 PolarHBondContact O-N 2.88Å; M1-N4 VanDerWaalsContact O-N 3.1Å; L2-N4 PolarHBondContact O-N 3.13Å; L2-N4 VanDerWaalsContact O-N 3.1Å
5L92.1Very high94.2Very high35 Ų3549.8 Ų49.818%0.18328%0.283CS..  trans-119.117.7-174.9-60.6174.6000111.9M1 L2 P3 G7 R8 V10 V59M1-L5 HydrophobicContact CB-CD1 4.21Å; L2-L5 PolarHBondContact O-N 3.16Å; P3-L5 VanDerWaalsContact C-N 3.32Å; L5-G7 PolarHBondContact O-N 3.16Å; L5-R8 HydrophobicContact CB-CB 4.49Å; L5-R8 VanDerWaalsContact O-CB 3.31Å; L5-R8 WeakPolarHBondContact O-CB 3.44Å; L5-R8 PolarHBondContact O-N 3.13Å; L5-V10 HydrophobicContact CB-CG1 4.1Å; L5-V10 HydrophobicContact CD1-CG1 3.85Å; L5-V59 HydrophobicContact CB-CG2 4.18Å; L5-V59 WeakPolarHBondContact O-CB 3.44Å; L5-V59 WeakPolarHBondContact O-CG2 3.42Å
6V95.2Very high94.4Very high62 Ų6246.7 Ų46.738%0.37627%0.266SS..THydrogen-bonded Turntrans-55.6131.3178.5-177.60000110P3 R8 V59 N61P3-V6 VanDerWaalsContact O-CG2 3.3Å; P3-V6 WeakPolarHBondContact O-CG2 3.4Å; V6-R8 PolarHBondContact O-N 3.37Å; V6-V59 HydrophobicContact CG2-CG1 4.3Å; V6-N61 WeakPolarHBondContact CG2-O 3.44Å
7G95.4Very high94.7Very high39 Ų3946.4 Ų46.440%0.40226%0.263SS..THydrogen-bonded Turntrans76.9-4.3-17800000115.1L5 R58 V59L5-G7 PolarHBondContact O-N 3.16Å; G7-R58 WeakPolarHBondContact O-CD 3.4Å; G7-R58 PolarHBondContact O-NE 3.27Å; G7-R58 PolarHBondContact O-NH1 3.22Å; G7-V59 PolarHBondContact N-O 3.3Å
8R94.8Very high94.8Very high85 Ų8551.8 Ų51.832%0.32128%0.278SS..SBendtrans-95.1152.3176.3-58.3-164.665.4-151.2-5.8111.9L5 V6 R58 V59 E108L5-R8 HydrophobicContact CB-CB 4.49Å; L5-R8 VanDerWaalsContact O-CB 3.31Å; L5-R8 WeakPolarHBondContact O-CB 3.44Å; L5-R8 PolarHBondContact O-N 3.13Å; V6-R8 PolarHBondContact O-N 3.37Å; R8-R58 WeakPolarHBondContact O-CA 3.29Å; R8-V59 PolarHBondContact O-N 3.13Å; R8-V59 VanDerWaalsContact O-N 3.13Å; R8-E108 IonicContact NE-OE2 2.66Å; R8-E108 PolarHBondContact NE-OE2 3Å; R8-E108 IonicContact NH2-OE2 3.24Å
9D95.3Very high95Very high67 Ų6750.5 Ų50.536%0.35827%0.272SS..EExtended strand (participates in β ladder)trans-77.3135.4170.5-64.5-27.9000110.3G57 R58D9-G57 CarbonylContact C-O 3.4Å; D9-G57 WeakPolarHBondContact CA-O 3.33Å; D9-R58 VanDerWaalsContact CG-NH2 3.32Å; D9-R58 WeakPolarHBondContact OD1-CB 3.28Å; D9-R58 IonicContact OD1-CZ 3.63Å; D9-R58 IonicContact OD1-NE 3.38Å; D9-R58 PolarHBondContact OD1-NE 3.34Å; D9-R58 IonicContact OD1-NH2 3.3Å; D9-R58 PolarHBondContact OD1-NH2 3.07Å; D9-R58 IonicContact OD2-CZ 2.99Å; D9-R58 IonicContact OD2-NE 3.74Å; D9-R58 IonicContact OD2-NH2 2.79Å; D9-R58 PolarHBondContact OD2-NH2 3.26Å
10V95.3Very high95.1Very high23 Ų2349.6 Ų49.614%0.13927%0.272CS..EExtended strand (participates in β ladder)trans-135.5154.5-176.7-63.40000110.3L2 L5 I12 Q56 G57 V59 I67L2-V10 HydrophobicContact CD2-CG2 4.36Å; L5-V10 HydrophobicContact CB-CG1 4.1Å; L5-V10 HydrophobicContact CD1-CG1 3.85Å; V10-I12 HydrophobicContact CG2-CD1 4.09Å; V10-I12 HydrophobicContact CG2-CG1 3.98Å; V10-Q56 WeakPolarHBondContact O-CA 3.43Å; V10-G57 VanDerWaalsContact CG2-O 3.31Å; V10-G57 WeakPolarHBondContact CG2-O 3.25Å; V10-G57 PolarHBondContact N-O 3.27Å; V10-G57 PolarHBondContact O-N 3.36Å; V10-V59 HydrophobicContact CG1-CG2 3.88Å; V10-V59 HydrophobicContact CG2-CG2 3.83Å; V10-I67 HydrophobicContact CG2-CG2 4.38Å
11C95.8Very high95.1Very high62 Ų6254.2 Ų54.242%0.41930%0.304SS..EExtended strand (participates in β ladder)trans-111.4124.3164.71780000108.6E54 V55 Q56C11-E54 WeakPolarHBondContact SG-CG 3.31Å; C11-E54 PolarHBondContact SG-OE1 3.4Å; C11-V55 WeakPolarHBondContact CA-O 3.28Å; C11-Q56 HydrophobicContact CB-CG 4.44Å
12I96.1Very high95.6Very high12 Ų1252.5 Ų52.56%0.06230%0.303CS..EExtended strand (participates in β ladder)trans-116127.1-178-61.9-167.4000109.1L2 V10 C30 I36 E54 V55 I67L2-I12 HydrophobicContact CD1-CD1 3.86Å; L2-I12 HydrophobicContact CD2-CD1 3.67Å; L2-I12 HydrophobicContact CD2-CG1 4.44Å; L2-I12 HydrophobicContact CG-CD1 4.4Å; V10-I12 HydrophobicContact CG2-CD1 4.09Å; V10-I12 HydrophobicContact CG2-CG1 3.98Å; I12-C30 VanDerWaalsContact CG2-SG 3.53Å; I12-I36 HydrophobicContact CD1-CD1 3.34Å; I12-I36 HydrophobicContact CG2-CD1 4.14Å; I12-E54 CarbonylContact O-C 3.4Å; I12-E54 WeakPolarHBondContact O-CA 3.03Å; I12-V55 PolarHBondContact N-O 3.24Å; I12-V55 PolarHBondContact O-N 2.89Å; I12-I67 HydrophobicContact CD1-CD1 4.08Å; I12-I67 HydrophobicContact CD1-CG2 4Å
13V97.3Very high95.9Very high8 Ų852.3 Ų52.35%0.04830%0.304CS..EExtended strand (participates in β ladder)trans-110.4131.8168.8177.50000108.9A31 V52 I53 E54 F84 Y89V13-A31 PolarHBondContact O-N 2.9Å; V13-V52 HydrophobicContact CG1-CG1 3.81Å; V13-I53 WeakPolarHBondContact CA-O 3.35Å; V13-E54 HydrophobicContact CG2-CB 4.05Å; V13-E54 HydrophobicContact CG2-CG 3.97Å; V13-F84 HydrophobicContact CG1-CE1 3.97Å; V13-F84 HydrophobicContact CG1-CE2 4.32Å; V13-F84 HydrophobicContact CG1-CZ 3.58Å; V13-Y89 HydrophobicContact CB-CD1 4.33Å; V13-Y89 HydrophobicContact CB-CE1 3.63Å; V13-Y89 HydrophobicContact CB-CE2 4.39Å; V13-Y89 HydrophobicContact CG1-CE1 4.29Å; V13-Y89 HydrophobicContact CG2-CE1 4.16Å; V13-Y89 HydrophobicContact CG2-CE2 4.2Å; V13-Y89 VanDerWaalsContact CG2-OH 3.28Å; V13-Y89 WeakPolarHBondContact CG2-OH 3.45Å
14G97.6Very high96.1Very high2 Ų254.9 Ų54.92%0.02131%0.312CS..EExtended strand (participates in β ladder)trans-173.1177.2-178.100000112.9R29 V52 I53G14-R29 CarbonylContact C-O 3.58Å; G14-R29 WeakPolarHBondContact CA-O 3.39Å; G14-V52 CarbonylContact O-C 3.54Å; G14-V52 WeakPolarHBondContact O-CA 3.35Å; G14-I53 PolarHBondContact N-O 2.79Å; G14-I53 PolarHBondContact O-N 2.96Å
15T98.1Very high96.4Very high40 Ų4052.4 Ų52.425%0.24529%0.292CS..EExtended strand (participates in β ladder)trans-92127.4178.4-57.50000110.1L17 I28 R29 R51T15-L17 PolarHBondContact O-N 3.42Å; T15-I28 CarbonylContact O-C 3.58Å; T15-I28 WeakPolarHBondContact O-CA 3.32Å; T15-R29 PolarHBondContact N-O 3.38Å; T15-R29 PolarHBondContact O-N 3.19Å; T15-R51 WeakPolarHBondContact CA-O 3.44Å
16A98.3Very high96.7Very high0 Ų050.7 Ų50.70%028%0.283CS..EExtended strand (participates in β ladder)trans-69.2118.3171.700000109.9I26 P48 N50 R51 I53A16-I26 HydrophobicContact CB-CG2 3.87Å; A16-P48 HydrophobicContact CB-CB 4.36Å; A16-P48 HydrophobicContact CB-CG 4.03Å; A16-P48 WeakPolarHBondContact CB-O 3.3Å; A16-N50 PolarHBondContact O-N 3.1Å; A16-R51 PolarHBondContact N-O 3.17Å; A16-I53 HydrophobicContact CB-CD1 4.12Å; A16-I53 HydrophobicContact CB-CG1 4.48Å; A16-I53 HydrophobicContact CB-CG2 4.36Å
17L98.3Very high96.9Very high41 Ų4149.1 Ų49.122%0.21527%0.271CS..EExtended strand (participates in β ladder)trans-89.9-42-178.1-62.8-177000112.5T15 H27 R29 E35T15-L17 PolarHBondContact O-N 3.42Å; L17-H27 PolarHBondContact N-O 2.86Å; L17-R29 HydrophobicContact CD1-CB 3.95Å; L17-R29 HydrophobicContact CD2-CB 4.01Å; L17-R29 HydrophobicContact CG-CB 4.02Å; L17-E35 HydrophobicContact CD1-CG 3.95Å; L17-E35 WeakPolarHBondContact CD1-OE1 3.41Å
18R97.4Very high97Very high144 Ų14447.3 Ų47.354%0.54325%0.253SS..EExtended strand (participates in β ladder)trans-157.2149.8179.955.3178.6-177123.48.3110.7H27 E49R18-H27 HydrophobicContact CG-CB 3.4Å; R18-H27 PolarHBondContact O-N 3.22Å; R18-E49 WeakPolarHBondContact CA-OE1 3.39Å
19V97.7Very high97.1Very high27 Ų2748.7 Ų48.716%0.16426%0.258CS..EExtended strand (participates in β ladder)trans-112.6136.4172.1-174.20000109.3I26 L44 S47 P48 E49V19-I26 HydrophobicContact CG2-CG1 4.5Å; V19-I26 HydrophobicContact CG2-CG2 4.48Å; V19-L44 HydrophobicContact CG1-CD1 3.85Å; V19-L44 HydrophobicContact CG2-CD1 3.98Å; V19-S47 WeakPolarHBondContact CG2-OG 3.27Å; V19-P48 HydrophobicContact CG2-CG 4.44Å; V19-E49 HydrophobicContact CG2-CG 4.29Å; V19-E49 PolarHBondContact N-OE1 3.1Å
20A97.1Very high97.2Very high33 Ų3346.1 Ų46.127%0.27325%0.245SC..  trans-62.3150173.100000110.6S22 G23 R25A20-S22 PolarHBondContact O-N 2.95Å; A20-G23 PolarHBondContact O-N 2.95Å; A20-R25 HydrophobicContact CB-CB 3.9Å; A20-R25 PolarHBondContact N-O 3.26Å
21P96Very high96.9Very high146 Ų14645.8 Ų45.895%0.94825%0.245SC*.THydrogen-bonded Turntrans-55.3-27-178.9-28.335.4000114.9G23P21-G23 PolarHBondContact O-N 3.33Å
22S96Very high96.5Very high71 Ų7146.4 Ų46.450%0.49724%0.244SC..THydrogen-bonded Turntrans-71.5-12.4175.760.70000114.1A20 Q24 P43A20-S22 PolarHBondContact O-N 2.95Å; S22-Q24 PolarHBondContact O-N 3.29Å; S22-Q24 VanDerWaalsContact O-N 3.16Å; S22-Q24 PolarHBondContact OG-N 3.25Å; S22-P43 WeakPolarHBondContact O-CB 3.4Å
23G96.3Very high96.2Very high9 Ų948.2 Ų48.29%0.09327%0.266CS..SBendtrans70.6-3-170.400000114.3A20 P21 L40 P43 L44A20-G23 PolarHBondContact O-N 2.95Å; P21-G23 PolarHBondContact O-N 3.33Å; G23-L40 WeakPolarHBondContact O-CD1 3.37Å; G23-P43 WeakPolarHBondContact O-CA 3.5Å; G23-L44 PolarHBondContact O-N 2.98Å
24Q97Very high96.1Very high101 Ų10153.2 Ų53.247%0.47228%0.283SS..SBendtrans-94.5-1.3-172.8-67.4-174-3.300114.4S22 L40 P43S22-Q24 PolarHBondContact O-N 3.29Å; S22-Q24 VanDerWaalsContact O-N 3.16Å; S22-Q24 PolarHBondContact OG-N 3.25Å; Q24-L40 PolarHBondContact O-N 3.49Å; Q24-P43 HydrophobicContact CG-CB 4.19Å; Q24-P43 HydrophobicContact CG-CG 3.67Å
25R97.9Very high96Very high93 Ų9357 Ų5735%0.35130%0.301SS..EExtended strand (participates in β ladder)trans-138.1131.3176.4-177.9177.7-77-156.4-5.8110.2A20 D37 C38 N39 E66A20-R25 HydrophobicContact CB-CB 3.9Å; A20-R25 PolarHBondContact N-O 3.26Å; R25-D37 HydrophobicContact CG-CB 4.35Å; R25-D37 IonicContact NH1-OD2 3.75Å; R25-C38 VanDerWaalsContact CA-O 3.27Å; R25-C38 WeakPolarHBondContact CA-O 3.31Å; R25-N39 PolarHBondContact NE-OD1 3.04Å; R25-N39 PolarHBondContact NH2-OD1 2.87Å; R25-E66 IonicContact CZ-OE1 3.55Å; R25-E66 IonicContact NH2-OE1 3.83Å; R25-E66 PolarHBondContact NH2-OE1 3.25Å
26I98.2Very high96Very high0 Ų055.2 Ų55.20%029%0.29CS..EExtended strand (participates in β ladder)trans-115.8134175.2-48.8176.7000108.5A16 V19 I28 C38 L40 L44 P48 I53 P73A16-I26 HydrophobicContact CB-CG2 3.87Å; V19-I26 HydrophobicContact CG2-CG1 4.5Å; V19-I26 HydrophobicContact CG2-CG2 4.48Å; I26-I28 HydrophobicContact CB-CG1 4.26Å; I26-I28 HydrophobicContact CG2-CG1 3.82Å; I26-C38 PolarHBondContact N-O 3.48Å; I26-C38 PolarHBondContact O-N 3.11Å; I26-L40 HydrophobicContact CD1-CD1 3.79Å; I26-L40 HydrophobicContact CD1-CD2 3.89Å; I26-L40 HydrophobicContact CD1-CG 4.26Å; I26-L40 HydrophobicContact CG1-CD1 3.79Å; I26-L40 HydrophobicContact CG1-CD2 4.17Å; I26-L40 HydrophobicContact CG1-CG 4.14Å; I26-L44 HydrophobicContact CD1-CD1 3.57Å; I26-L44 HydrophobicContact CD1-CD2 4.42Å; I26-L44 HydrophobicContact CD1-CG 4.35Å; I26-L44 HydrophobicContact CG1-CD1 3.73Å; I26-P48 HydrophobicContact CD1-CG 4.33Å; I26-I53 HydrophobicContact CD1-CD1 3.96Å; I26-I53 HydrophobicContact CG2-CD1 4.06Å; I26-P73 HydrophobicContact CD1-CG 4.3Å
27H98.5Very high96Very high28 Ų2857 Ų5713%0.1330%0.299CS..EExtended strand (participates in β ladder)trans-94126.8167.5-165.662.7000109.3L17 R18 E35 I36 D37L17-H27 PolarHBondContact N-O 2.86Å; R18-H27 HydrophobicContact CG-CB 3.4Å; R18-H27 PolarHBondContact O-N 3.22Å; H27-E35 IonicContact NE2-OE2 2.89Å; H27-E35 PolarHBondContact NE2-OE2 2.94Å; H27-I36 CarbonylContact C-O 3.55Å; H27-I36 WeakPolarHBondContact CA-O 3.36Å; H27-I36 PolarHBondContact ND1-O 3.3Å; H27-D37 IonicContact CE1-OD1 3.79Å; H27-D37 IonicContact CG-OD1 3.44Å; H27-D37 IonicContact ND1-OD1 2.73Å; H27-D37 PolarHBondContact ND1-OD1 2.89Å
28I98.4Very high96Very high1 Ų155 Ų551%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-126.5134.2-167.9-49.7173.1000109T15 I26 E35 I36 C38 I53 V55T15-I28 CarbonylContact O-C 3.58Å; T15-I28 WeakPolarHBondContact O-CA 3.32Å; I26-I28 HydrophobicContact CB-CG1 4.26Å; I26-I28 HydrophobicContact CG2-CG1 3.82Å; I28-E35 CarbonylContact O-C 3.57Å; I28-E35 VanDerWaalsContact O-CA 3.25Å; I28-E35 WeakPolarHBondContact O-CA 3.5Å; I28-I36 HydrophobicContact CB-CG1 4.06Å; I28-I36 PolarHBondContact N-O 2.97Å; I28-I36 PolarHBondContact O-N 3.13Å; I28-C38 HydrophobicContact CD1-CB 3.84Å; I28-I53 HydrophobicContact CD1-CD1 3.71Å; I28-I53 HydrophobicContact CD1-CG1 4.41Å; I28-I53 HydrophobicContact CG1-CD1 3.95Å; I28-I53 HydrophobicContact CG2-CG1 4.49Å; I28-V55 HydrophobicContact CD1-CG2 3.79Å
29R97.7Very high96.1Very high115 Ų11549.8 Ų49.843%0.43427%0.272SS..EExtended strand (participates in β ladder)trans-92.5108.4162.4-170.9173.2-63.2139.41.8109.2G14 T15 L17 R34 E35G14-R29 CarbonylContact C-O 3.58Å; G14-R29 WeakPolarHBondContact CA-O 3.39Å; T15-R29 PolarHBondContact N-O 3.38Å; T15-R29 PolarHBondContact O-N 3.19Å; L17-R29 HydrophobicContact CD1-CB 3.95Å; L17-R29 HydrophobicContact CD2-CB 4.01Å; L17-R29 HydrophobicContact CG-CB 4.02Å; R29-R34 CarbonylContact C-O 3.59Å; R29-E35 HydrophobicContact CB-CG 4.22Å; R29-E35 HydrophobicContact CG-CG 4.22Å; R29-E35 IonicContact CZ-OE1 3.82Å; R29-E35 VanDerWaalsContact CZ-OE1 3.28Å; R29-E35 IonicContact NE-OE1 2.78Å; R29-E35 PolarHBondContact NE-OE1 3.41Å; R29-E35 IonicContact NH2-OE1 3.91Å; R29-E35 PolarHBondContact NH2-OE1 3.35Å
30C95.8Very high96.1Very high12 Ų1249.3 Ų49.38%0.08127%0.268CS..EExtended strand (participates in β ladder)trans-62160.1175.4-60.40000111.3I12 D32 G33 R34I12-C30 VanDerWaalsContact CG2-SG 3.53Å; C30-D32 WeakPolarHBondContact CB-OD1 3.48Å; C30-D32 PolarHBondContact O-N 3.41Å; C30-D32 VanDerWaalsContact O-N 3.14Å; C30-G33 WeakPolarHBondContact O-CA 3.45Å; C30-G33 PolarHBondContact O-N 3.41Å; C30-R34 WeakPolarHBondContact CB-O 3.31Å; C30-R34 PolarHBondContact N-O 2.95Å
31A90.2Very high96.1Very high17 Ų1753 Ų5314%0.1428%0.282CS..THydrogen-bonded Turntrans-60.9-19.3176.200000114.5V13 G33 Y89V13-A31 PolarHBondContact O-N 2.9Å; A31-G33 VanDerWaalsContact C-N 3.28Å; A31-Y89 HydrophobicContact CB-CD1 3.65Å; A31-Y89 HydrophobicContact CB-CE1 4.26Å
32D86.1Confident96.1Very high75 Ų7548 Ų4840%0.40125%0.251SS..THydrogen-bonded Turntrans-86.86.6172.874.8-11.7000113.5C30 R34C30-D32 WeakPolarHBondContact CB-OD1 3.48Å; C30-D32 PolarHBondContact O-N 3.41Å; C30-D32 VanDerWaalsContact O-N 3.14Å; D32-R34 VanDerWaalsContact C-N 3.29Å; D32-R34 PolarHBondContact O-N 3.1Å; D32-R34 VanDerWaalsContact OD1-CB 3.31Å; D32-R34 WeakPolarHBondContact OD1-CB 3.46Å; D32-R34 WeakPolarHBondContact OD1-CG 3.37Å; D32-R34 PolarHBondContact OD1-N 2.96Å; D32-R34 VanDerWaalsContact OD1-N 3.08Å; D32-R34 WeakPolarHBondContact OD2-CD 3.5Å; D32-R34 IonicContact OD2-NE 2.71Å
33G91.5Very high96.1Very high50 Ų5047.2 Ų47.252%0.51524%0.244SC..SBendtrans82.9-7.6-179.700000114.9C30 A31C30-G33 WeakPolarHBondContact O-CA 3.45Å; C30-G33 PolarHBondContact O-N 3.41Å; A31-G33 VanDerWaalsContact C-N 3.28Å
34R93.3Very high96.1Very high112 Ų11248.4 Ų48.442%0.42325%0.248SC..  trans-70.7145.2175.6-67.8-179.1175.1-144.1-3.8111P3 R29 C30 D32P3-R34 VanDerWaalsContact CG-NH1 3.33Å; R29-R34 CarbonylContact C-O 3.59Å; C30-R34 WeakPolarHBondContact CB-O 3.31Å; C30-R34 PolarHBondContact N-O 2.95Å; D32-R34 VanDerWaalsContact C-N 3.29Å; D32-R34 PolarHBondContact O-N 3.1Å; D32-R34 VanDerWaalsContact OD1-CB 3.31Å; D32-R34 WeakPolarHBondContact OD1-CB 3.46Å; D32-R34 WeakPolarHBondContact OD1-CG 3.37Å; D32-R34 PolarHBondContact OD1-N 2.96Å; D32-R34 VanDerWaalsContact OD1-N 3.08Å; D32-R34 WeakPolarHBondContact OD2-CD 3.5Å; D32-R34 IonicContact OD2-NE 2.71Å
35E97.3Very high95.9Very high83 Ų8352.5 Ų52.539%0.38827%0.267SS..EExtended strand (participates in β ladder)trans-104.4135.6174.2-66.7180178.200110.5L17 H27 I28 R29L17-E35 HydrophobicContact CD1-CG 3.95Å; L17-E35 WeakPolarHBondContact CD1-OE1 3.41Å; H27-E35 IonicContact NE2-OE2 2.89Å; H27-E35 PolarHBondContact NE2-OE2 2.94Å; I28-E35 CarbonylContact O-C 3.57Å; I28-E35 VanDerWaalsContact O-CA 3.25Å; I28-E35 WeakPolarHBondContact O-CA 3.5Å; R29-E35 HydrophobicContact CB-CG 4.22Å; R29-E35 HydrophobicContact CG-CG 4.22Å; R29-E35 IonicContact CZ-OE1 3.82Å; R29-E35 VanDerWaalsContact CZ-OE1 3.28Å; R29-E35 IonicContact NE-OE1 2.78Å; R29-E35 PolarHBondContact NE-OE1 3.41Å; R29-E35 IonicContact NH2-OE1 3.91Å; R29-E35 PolarHBondContact NH2-OE1 3.35Å
36I97.9Very high95.6Very high2 Ų251.7 Ų51.71%0.0128%0.28CS..EExtended strand (participates in β ladder)trans-135.8158.5-179.868.1163.8000111.3L2 I12 H27 I28 T65 I67L2-I36 HydrophobicContact CD1-CG2 3.63Å; I12-I36 HydrophobicContact CD1-CD1 3.34Å; I12-I36 HydrophobicContact CG2-CD1 4.14Å; H27-I36 CarbonylContact C-O 3.55Å; H27-I36 WeakPolarHBondContact CA-O 3.36Å; H27-I36 PolarHBondContact ND1-O 3.3Å; I28-I36 HydrophobicContact CB-CG1 4.06Å; I28-I36 PolarHBondContact N-O 2.97Å; I28-I36 PolarHBondContact O-N 3.13Å; I36-T65 CarbonylContact C-O 3.56Å; I36-T65 VanDerWaalsContact CA-O 3.27Å; I36-T65 WeakPolarHBondContact CA-O 3.36Å; I36-T65 WeakPolarHBondContact CB-O 3.46Å; I36-I67 HydrophobicContact CD1-CD1 4.16Å; I36-I67 HydrophobicContact CD1-CG1 4.37Å; I36-I67 HydrophobicContact CD1-CG2 4.17Å
37D98.2Very high95.4Very high36 Ų3655 Ų5519%0.19330%0.303CS..EExtended strand (participates in β ladder)trans-99.3136164.6-73.7-30.2000110.3R25 H27 T65 E66 I67R25-D37 HydrophobicContact CG-CB 4.35Å; R25-D37 IonicContact NH1-OD2 3.75Å; H27-D37 IonicContact CE1-OD1 3.79Å; H27-D37 IonicContact CG-OD1 3.44Å; H27-D37 IonicContact ND1-OD1 2.73Å; H27-D37 PolarHBondContact ND1-OD1 2.89Å; D37-T65 PolarHBondContact N-O 3.38Å; D37-E66 CarbonylContact O-C 3.59Å; D37-E66 VanDerWaalsContact O-CA 3.27Å; D37-E66 WeakPolarHBondContact O-CA 3.43Å; D37-I67 PolarHBondContact O-N 3.26Å
38C98.4Very high95.3Very high0 Ų053.7 Ų53.70%030%0.298CS..EExtended strand (participates in β ladder)trans-113.6122.2169.4177.20000110R25 I26 I28 V55 I67R25-C38 VanDerWaalsContact CA-O 3.27Å; R25-C38 WeakPolarHBondContact CA-O 3.31Å; I26-C38 PolarHBondContact N-O 3.48Å; I26-C38 PolarHBondContact O-N 3.11Å; I28-C38 HydrophobicContact CD1-CB 3.84Å; C38-V55 VanDerWaalsContact SG-CG1 3.52Å; C38-I67 WeakPolarHBondContact CA-O 3.27Å; C38-I67 HydrophobicContact CB-CD1 4.05Å; C38-I67 HydrophobicContact CB-CG1 3.7Å
39N98.3Very high95.2Very high35 Ų3557.7 Ų57.719%0.18732%0.316CS..EExtended strand (participates in β ladder)trans-83.3121.8168.3-58.8-50.6000109.3R25 E66 I67 N68 A69R25-N39 PolarHBondContact NE-OD1 3.04Å; R25-N39 PolarHBondContact NH2-OD1 2.87Å; N39-E66 PolarHBondContact ND2-OE1 3.39Å; N39-I67 PolarHBondContact N-O 3.36Å; N39-N68 PolarHBondContact ND2-OD1 3.01Å; N39-A69 VanDerWaalsContact O-CB 3.3Å; N39-A69 WeakPolarHBondContact O-CB 3.35Å; N39-A69 PolarHBondContact O-N 3.47Å
40L98.2Very high95.1Very high17 Ų1758.3 Ų58.39%0.08933%0.329CS..  trans-87.9155.9-177.7-56-177.1000112G23 Q24 I26 S42 L44 A69 P73G23-L40 WeakPolarHBondContact O-CD1 3.37Å; Q24-L40 PolarHBondContact O-N 3.49Å; I26-L40 HydrophobicContact CD1-CD1 3.79Å; I26-L40 HydrophobicContact CD1-CD2 3.89Å; I26-L40 HydrophobicContact CD1-CG 4.26Å; I26-L40 HydrophobicContact CG1-CD1 3.79Å; I26-L40 HydrophobicContact CG1-CD2 4.17Å; I26-L40 HydrophobicContact CG1-CG 4.14Å; L40-S42 VanDerWaalsContact C-N 3.31Å; L40-S42 WeakPolarHBondContact CB-O 3.44Å; L40-L44 HydrophobicContact CD1-CD1 3.95Å; L40-L44 HydrophobicContact CD1-CD2 3.92Å; L40-L44 HydrophobicContact CD1-CG 3.49Å; L40-L44 VanDerWaalsContact CD1-CG 3.49Å; L40-A69 HydrophobicContact CD2-CB 4.3Å; L40-P73 HydrophobicContact CD2-CG 3.54Å
41L96.9Very high95.2Very high110 Ų11061.8 Ų61.858%0.57634%0.34SS*.SBendtrans-67.2-34.6173-64.9174.9000112.1A69L41-A69 VanDerWaalsContact CD2-O 3.25Å; L41-A69 WeakPolarHBondContact CD2-O 3.27Å; L41-A69 HydrophobicContact CG-CB 4.46Å
42S96.2Very high95.6Very high42 Ų4261.2 Ų61.229%0.29434%0.335SS..SBendtrans-142.6156.8-179.175.30000111.2L40 E72L40-S42 VanDerWaalsContact C-N 3.31Å; L40-S42 WeakPolarHBondContact CB-O 3.44Å; S42-E72 PolarHBondContact OG-OE1 2.95Å
43P96.8Very high96.2Very high53 Ų5357.6 Ų57.634%0.34432%0.315SS..  trans-60.2134.7172.7-22.331.6000112.7S22 G23 Q24S22-P43 WeakPolarHBondContact O-CB 3.4Å; G23-P43 WeakPolarHBondContact O-CA 3.5Å; Q24-P43 HydrophobicContact CG-CB 4.19Å; Q24-P43 HydrophobicContact CG-CG 3.67Å
44L95.3Very high96.5Very high34 Ų3457.9 Ų57.918%0.17830%0.303CS..  trans-60.6137169.8-70.1168.6000112V19 G23 I26 L40 P48V19-L44 HydrophobicContact CG1-CD1 3.85Å; V19-L44 HydrophobicContact CG2-CD1 3.98Å; G23-L44 PolarHBondContact O-N 2.98Å; I26-L44 HydrophobicContact CD1-CD1 3.57Å; I26-L44 HydrophobicContact CD1-CD2 4.42Å; I26-L44 HydrophobicContact CD1-CG 4.35Å; I26-L44 HydrophobicContact CG1-CD1 3.73Å; L40-L44 HydrophobicContact CD1-CD1 3.95Å; L40-L44 HydrophobicContact CD1-CD2 3.92Å; L40-L44 HydrophobicContact CD1-CG 3.49Å; L40-L44 VanDerWaalsContact CD1-CG 3.49Å; L44-P48 VanDerWaalsContact CD1-CD 3.45Å; L44-P48 HydrophobicContact CD1-CG 3.98Å
45Q92Very high96.7Very high187 Ų18752.5 Ų52.587%0.87428%0.283SS*.SBendtrans-76.9-28.3173.7-59.7-57.9-5400112.8
46A92.9Very high96.7Very high76 Ų7653 Ų5363%0.62829%0.285SS*.SBendtrans-143.2143177.100000109.4P48A46-P48 WeakPolarHBondContact O-CD 3.29Å
47S94.1Very high96.7Very high69 Ų6952.9 Ų52.948%0.48329%0.285SS..  trans-70.9125.4178.7-178.10000110.9V19 E49V19-S47 WeakPolarHBondContact CG2-OG 3.27Å; S47-E49 PolarHBondContact O-N 3.08Å; S47-E49 VanDerWaalsContact OG-CG 3.31Å; S47-E49 WeakPolarHBondContact OG-CG 3.45Å; S47-E49 PolarHBondContact OG-N 3.14Å
48P95.9Very high96.7Very high2 Ų256.3 Ų56.31%0.01330%0.295CS..  trans-86.216.5171.436.8-37.8000112.9A16 V19 I26 L44 A46 N50 R51 I53 V75A16-P48 HydrophobicContact CB-CB 4.36Å; A16-P48 HydrophobicContact CB-CG 4.03Å; A16-P48 WeakPolarHBondContact CB-O 3.3Å; V19-P48 HydrophobicContact CG2-CG 4.44Å; I26-P48 HydrophobicContact CD1-CG 4.33Å; L44-P48 VanDerWaalsContact CD1-CD 3.45Å; L44-P48 HydrophobicContact CD1-CG 3.98Å; A46-P48 WeakPolarHBondContact O-CD 3.29Å; P48-N50 PolarHBondContact O-N 3.35Å; P48-R51 HydrophobicContact CB-CB 4.43Å; P48-R51 WeakPolarHBondContact O-CA 3.33Å; P48-R51 WeakPolarHBondContact O-CB 3.29Å; P48-R51 PolarHBondContact O-N 2.89Å; P48-I53 HydrophobicContact CB-CG2 3.83Å; P48-I53 HydrophobicContact CG-CG2 4.22Å; P48-V75 HydrophobicContact CB-CB 4.48Å; P48-V75 HydrophobicContact CB-CG1 3.57Å; P48-V75 HydrophobicContact CB-CG2 3.99Å
49E96.2Very high96.6Very high84 Ų8456.4 Ų56.439%0.39330%0.295SS..THydrogen-bonded Turntrans-48.4134.1179.7-84.1174.8-157.500112.7R18 V19 S47 R51R18-E49 WeakPolarHBondContact CA-OE1 3.39Å; V19-E49 HydrophobicContact CG2-CG 4.29Å; V19-E49 PolarHBondContact N-OE1 3.1Å; S47-E49 PolarHBondContact O-N 3.08Å; S47-E49 VanDerWaalsContact OG-CG 3.31Å; S47-E49 WeakPolarHBondContact OG-CG 3.45Å; S47-E49 PolarHBondContact OG-N 3.14Å; E49-R51 PolarHBondContact O-N 3.41Å
50N96.1Very high96.6Very high129 Ų12957 Ų5769%0.6930%0.303SS*.THydrogen-bonded Turntrans64.311.2-173.6-49.2-64.2000115.4A16 P48A16-N50 PolarHBondContact O-N 3.1Å; P48-N50 PolarHBondContact O-N 3.35Å
51R97.9Very high96.5Very high84 Ų8457.5 Ų57.532%0.31731%0.305SS..SBendtrans-100.2151.6170-57.7178.565.3-176.9-7.9110.7T15 A16 P48 E49 V75 F76T15-R51 WeakPolarHBondContact CA-O 3.44Å; A16-R51 PolarHBondContact N-O 3.17Å; P48-R51 HydrophobicContact CB-CB 4.43Å; P48-R51 WeakPolarHBondContact O-CA 3.33Å; P48-R51 WeakPolarHBondContact O-CB 3.29Å; P48-R51 PolarHBondContact O-N 2.89Å; E49-R51 PolarHBondContact O-N 3.41Å; R51-V75 HydrophobicContact CB-CG1 4.04Å; R51-V75 VanDerWaalsContact NE-CG1 3.33Å; R51-V75 PolarHBondContact NH2-O 2.92Å; R51-F76 PolarHBondContact NE-O 2.86Å; R51-F76 PolarHBondContact NH2-O 2.9Å
52V98.3Very high96.3Very high5 Ų557.4 Ų57.43%0.0331%0.309CS..EExtended strand (participates in β ladder)trans-73135.1166.5176.30000108.2V13 G14 F76 S81 F84V13-V52 HydrophobicContact CG1-CG1 3.81Å; G14-V52 CarbonylContact O-C 3.54Å; G14-V52 WeakPolarHBondContact O-CA 3.35Å; V52-F76 HydrophobicContact CB-CB 4.13Å; V52-F76 HydrophobicContact CB-CD2 4.32Å; V52-F76 HydrophobicContact CB-CG 4.21Å; V52-F76 HydrophobicContact CG1-CD1 4.4Å; V52-F76 HydrophobicContact CG1-CD2 3.97Å; V52-F76 HydrophobicContact CG1-CE2 4.27Å; V52-F76 HydrophobicContact CG1-CG 4.05Å; V52-F76 WeakPolarHBondContact O-CB 3.41Å; V52-F76 PolarHBondContact O-N 3.27Å; V52-S81 PolarHBondContact N-OG 2.82Å; V52-F84 HydrophobicContact CG1-CD1 4.13Å; V52-F84 HydrophobicContact CG1-CD2 4.37Å; V52-F84 HydrophobicContact CG1-CE1 4.31Å; V52-F84 HydrophobicContact CG1-CG 4.16Å; V52-F84 HydrophobicContact CG2-CB 3.93Å; V52-F84 HydrophobicContact CG2-CD1 4.02Å; V52-F84 HydrophobicContact CG2-CG 4.08Å
53I98.1Very high96.3Very high0 Ų060.9 Ų60.90%032%0.321CS..EExtended strand (participates in β ladder)trans-130.8148.2176.865.6170.6000110.2V13 G14 A16 I26 I28 P48 V55 V74 V75V13-I53 WeakPolarHBondContact CA-O 3.35Å; G14-I53 PolarHBondContact N-O 2.79Å; G14-I53 PolarHBondContact O-N 2.96Å; A16-I53 HydrophobicContact CB-CD1 4.12Å; A16-I53 HydrophobicContact CB-CG1 4.48Å; A16-I53 HydrophobicContact CB-CG2 4.36Å; I26-I53 HydrophobicContact CD1-CD1 3.96Å; I26-I53 HydrophobicContact CG2-CD1 4.06Å; I28-I53 HydrophobicContact CD1-CD1 3.71Å; I28-I53 HydrophobicContact CD1-CG1 4.41Å; I28-I53 HydrophobicContact CG1-CD1 3.95Å; I28-I53 HydrophobicContact CG2-CG1 4.49Å; P48-I53 HydrophobicContact CB-CG2 3.83Å; P48-I53 HydrophobicContact CG-CG2 4.22Å; I53-V55 HydrophobicContact CD1-CG2 3.63Å; I53-V55 HydrophobicContact CG1-CG2 4Å; I53-V74 CarbonylContact C-O 3.24Å; I53-V74 VanDerWaalsContact CA-O 3.29Å; I53-V74 WeakPolarHBondContact CA-O 3.25Å; I53-V75 HydrophobicContact CG2-CB 4.3Å; I53-V75 HydrophobicContact CG2-CG1 3.97Å; I53-V75 HydrophobicContact CG2-CG2 4.07Å
54E98Very high96.2Very high55 Ų5558.5 Ų58.526%0.25731%0.305SS..EExtended strand (participates in β ladder)trans-107.3130.4166-178.6-171163.200108.4C11 I12 V13 P73 V74 F76C11-E54 WeakPolarHBondContact SG-CG 3.31Å; C11-E54 PolarHBondContact SG-OE1 3.4Å; I12-E54 CarbonylContact O-C 3.4Å; I12-E54 WeakPolarHBondContact O-CA 3.03Å; V13-E54 HydrophobicContact CG2-CB 4.05Å; V13-E54 HydrophobicContact CG2-CG 3.97Å; E54-P73 WeakPolarHBondContact O-CA 3.27Å; E54-V74 HydrophobicContact CB-CB 4.2Å; E54-V74 PolarHBondContact N-O 3.2Å; E54-V74 PolarHBondContact O-N 2.78Å; E54-F76 HydrophobicContact CB-CE1 4.1Å
55V97.5Very high96.3Very high0 Ų059.9 Ų59.90%032%0.315CS..EExtended strand (participates in β ladder)trans-131.4125.2-179.4-169.90000109.9C11 I12 I28 C38 I53 I67 A69 P73C11-V55 WeakPolarHBondContact CA-O 3.28Å; I12-V55 PolarHBondContact N-O 3.24Å; I12-V55 PolarHBondContact O-N 2.89Å; I28-V55 HydrophobicContact CD1-CG2 3.79Å; C38-V55 VanDerWaalsContact SG-CG1 3.52Å; I53-V55 HydrophobicContact CD1-CG2 3.63Å; I53-V55 HydrophobicContact CG1-CG2 4Å; V55-I67 HydrophobicContact CB-CD1 4.38Å; V55-I67 HydrophobicContact CG1-CD1 3.96Å; V55-A69 HydrophobicContact CG1-CB 4.39Å; V55-P73 HydrophobicContact CG2-CB 4.2Å; V55-P73 HydrophobicContact CG2-CG 4.48Å
56Q97.8Very high96.6Very high93 Ų9353.3 Ų53.344%0.43529%0.285SS..EExtended strand (participates in β ladder)trans-94.5132.7170.1-62.8176.80.500108.9V10 C11 A69 T70 A71V10-Q56 WeakPolarHBondContact O-CA 3.43Å; C11-Q56 HydrophobicContact CB-CG 4.44Å; Q56-A69 CarbonylContact O-C 3.58Å; Q56-A69 VanDerWaalsContact O-CA 3.27Å; Q56-A69 WeakPolarHBondContact O-CA 3.41Å; Q56-T70 PolarHBondContact O-N 2.8Å; Q56-T70 PolarHBondContact O-OG1 3.49Å; Q56-A71 HydrophobicContact CB-CB 4.36Å
57G97.6Very high96.8Very high0 Ų049.7 Ų49.70%026%0.255CS..EExtended strand (participates in β ladder)trans-171.5172.4-179.200000114.1D9 V10 N68D9-G57 CarbonylContact C-O 3.4Å; D9-G57 WeakPolarHBondContact CA-O 3.33Å; V10-G57 VanDerWaalsContact CG2-O 3.31Å; V10-G57 WeakPolarHBondContact CG2-O 3.25Å; V10-G57 PolarHBondContact N-O 3.27Å; V10-G57 PolarHBondContact O-N 3.36Å; G57-N68 CarbonylContact C-O 3.59Å; G57-N68 WeakPolarHBondContact CA-O 3.08Å
58R97.7Very high97Very high108 Ų10850 Ų5041%0.40825%0.251SS..EExtended strand (participates in β ladder)trans-100.3129.8176.6-172.3160.8-73.6-144.9-3.6110.9G7 R8 D9 S60 I67 N68 E108G7-R58 WeakPolarHBondContact O-CD 3.4Å; G7-R58 PolarHBondContact O-NE 3.27Å; G7-R58 PolarHBondContact O-NH1 3.22Å; R8-R58 WeakPolarHBondContact O-CA 3.29Å; D9-R58 VanDerWaalsContact CG-NH2 3.32Å; D9-R58 WeakPolarHBondContact OD1-CB 3.28Å; D9-R58 IonicContact OD1-CZ 3.63Å; D9-R58 IonicContact OD1-NE 3.38Å; D9-R58 PolarHBondContact OD1-NE 3.34Å; D9-R58 IonicContact OD1-NH2 3.3Å; D9-R58 PolarHBondContact OD1-NH2 3.07Å; D9-R58 IonicContact OD2-CZ 2.99Å; D9-R58 IonicContact OD2-NE 3.74Å; D9-R58 IonicContact OD2-NH2 2.79Å; D9-R58 PolarHBondContact OD2-NH2 3.26Å; R58-S60 PolarHBondContact O-N 3.28Å; R58-I67 CarbonylContact O-C 3.56Å; R58-I67 VanDerWaalsContact O-CA 3.25Å; R58-I67 WeakPolarHBondContact O-CA 3.25Å; R58-N68 PolarHBondContact N-O 3.18Å; R58-N68 PolarHBondContact O-N 2.87Å; R58-E108 IonicContact NH2-OE1 3.28Å
59V97.6Very high97.1Very high1 Ų150.2 Ų50.21%0.00625%0.253CS..EExtended strand (participates in β ladder)trans-66118.3176.4-175.40000109.5L2 L5 V6 G7 R8 V10 I67L2-V59 HydrophobicContact CD2-CG2 4.12Å; L5-V59 HydrophobicContact CB-CG2 4.18Å; L5-V59 WeakPolarHBondContact O-CB 3.44Å; L5-V59 WeakPolarHBondContact O-CG2 3.42Å; V6-V59 HydrophobicContact CG2-CG1 4.3Å; G7-V59 PolarHBondContact N-O 3.3Å; R8-V59 PolarHBondContact O-N 3.13Å; R8-V59 VanDerWaalsContact O-N 3.13Å; V10-V59 HydrophobicContact CG1-CG2 3.88Å; V10-V59 HydrophobicContact CG2-CG2 3.83Å; V59-I67 HydrophobicContact CG2-CG2 4.28Å
60S96.7Very high97.2Very high49 Ų4949.9 Ų49.934%0.34326%0.257SS..  trans-101.9-19.7-165.863.20000114.2R58 E66 N68R58-S60 PolarHBondContact O-N 3.28Å; S60-E66 PolarHBondContact N-O 2.66Å; S60-E66 WeakPolarHBondContact OG-CB 3.38Å; S60-E66 WeakPolarHBondContact OG-CG 3.41Å; S60-E66 PolarHBondContact OG-O 3.15Å; S60-N68 WeakPolarHBondContact CB-ND2 3.33Å
61N96.1Very high97.3Very high27 Ų2745.2 Ų45.214%0.14424%0.236CC..SBendtrans-125.8154.4-178.978.4-15.9000113.1V6 Q63 G64 T65 E66V6-N61 WeakPolarHBondContact CG2-O 3.44Å; N61-Q63 PolarHBondContact ND2-OE1 2.79Å; N61-Q63 PolarHBondContact O-N 2.9Å; N61-G64 PolarHBondContact O-N 2.91Å; N61-G64 PolarHBondContact OD1-N 3.4Å; N61-G64 VanDerWaalsContact OD1-N 3.09Å; N61-T65 PolarHBondContact ND2-OG1 3.01Å; N61-T65 PolarHBondContact OD1-N 3.09Å; N61-E66 HydrophobicContact CB-CB 4.35Å; N61-E66 PolarHBondContact OD1-N 3.24Å
62V94.4Very high97.2Very high108 Ų10845.9 Ų45.966%0.65524%0.243SC*.THydrogen-bonded Turntrans-65.7-24.5-176.1-62.40000113.5G64V62-G64 PolarHBondContact O-N 2.86Å
63Q95.5Very high97.1Very high115 Ų11546.6 Ų46.654%0.53725%0.247SC..THydrogen-bonded Turntrans-74.3-13.3175.9-63.577.711.800112.4P3 N61 T65P3-Q63 WeakPolarHBondContact CG-O 3.42Å; N61-Q63 PolarHBondContact ND2-OE1 2.79Å; N61-Q63 PolarHBondContact O-N 2.9Å; Q63-T65 HydrophobicContact CB-CG2 3.9Å; Q63-T65 PolarHBondContact O-N 3.41Å
64G95Very high97.1Very high2 Ų250.4 Ų50.42%0.02127%0.271CS..SBendtrans61.533.9-174.300000112.5L2 N61 V62L2-G64 VanDerWaalsContact CB-O 3.27Å; L2-G64 WeakPolarHBondContact CB-O 3.38Å; L2-G64 VanDerWaalsContact CD1-O 3.29Å; L2-G64 WeakPolarHBondContact CD1-O 3.31Å; N61-G64 PolarHBondContact O-N 2.91Å; N61-G64 PolarHBondContact OD1-N 3.4Å; N61-G64 VanDerWaalsContact OD1-N 3.09Å; V62-G64 PolarHBondContact O-N 2.86Å
65T96.6Very high97Very high64 Ų6450.1 Ų50.139%0.39327%0.272SS..  trans-109.8-1.8178.964.90000112.5I36 D37 N61 Q63I36-T65 CarbonylContact C-O 3.56Å; I36-T65 VanDerWaalsContact CA-O 3.27Å; I36-T65 WeakPolarHBondContact CA-O 3.36Å; I36-T65 WeakPolarHBondContact CB-O 3.46Å; D37-T65 PolarHBondContact N-O 3.38Å; N61-T65 PolarHBondContact ND2-OG1 3.01Å; N61-T65 PolarHBondContact OD1-N 3.09Å; Q63-T65 HydrophobicContact CB-CG2 3.9Å; Q63-T65 PolarHBondContact O-N 3.41Å
66E98Very high97.1Very high48 Ų4852.6 Ų52.622%0.22428%0.283CS..EExtended strand (participates in β ladder)trans-136.1137.2179-165.5172.2-171.200110.7R25 D37 N39 S60 N61R25-E66 IonicContact CZ-OE1 3.55Å; R25-E66 IonicContact NH2-OE1 3.83Å; R25-E66 PolarHBondContact NH2-OE1 3.25Å; D37-E66 CarbonylContact O-C 3.59Å; D37-E66 VanDerWaalsContact O-CA 3.27Å; D37-E66 WeakPolarHBondContact O-CA 3.43Å; N39-E66 PolarHBondContact ND2-OE1 3.39Å; S60-E66 PolarHBondContact N-O 2.66Å; S60-E66 WeakPolarHBondContact OG-CB 3.38Å; S60-E66 WeakPolarHBondContact OG-CG 3.41Å; S60-E66 PolarHBondContact OG-O 3.15Å; N61-E66 HydrophobicContact CB-CB 4.35Å; N61-E66 PolarHBondContact OD1-N 3.24Å
67I98.2Very high97Very high1 Ų151.1 Ų51.11%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-127.4149.7170.875.5177000110.4V10 I12 I36 D37 C38 N39 V55 R58 V59V10-I67 HydrophobicContact CG2-CG2 4.38Å; I12-I67 HydrophobicContact CD1-CD1 4.08Å; I12-I67 HydrophobicContact CD1-CG2 4Å; I36-I67 HydrophobicContact CD1-CD1 4.16Å; I36-I67 HydrophobicContact CD1-CG1 4.37Å; I36-I67 HydrophobicContact CD1-CG2 4.17Å; D37-I67 PolarHBondContact O-N 3.26Å; C38-I67 WeakPolarHBondContact CA-O 3.27Å; C38-I67 HydrophobicContact CB-CD1 4.05Å; C38-I67 HydrophobicContact CB-CG1 3.7Å; N39-I67 PolarHBondContact N-O 3.36Å; V55-I67 HydrophobicContact CB-CD1 4.38Å; V55-I67 HydrophobicContact CG1-CD1 3.96Å; R58-I67 CarbonylContact O-C 3.56Å; R58-I67 VanDerWaalsContact O-CA 3.25Å; R58-I67 WeakPolarHBondContact O-CA 3.25Å; V59-I67 HydrophobicContact CG2-CG2 4.28Å
68N98.4Very high97Very high75 Ų7558.9 Ų58.940%0.40132%0.319SS..EExtended strand (participates in β ladder)trans-102.3120166.9-64.4-35.5000108.6N39 G57 R58 S60N39-N68 PolarHBondContact ND2-OD1 3.01Å; G57-N68 CarbonylContact C-O 3.59Å; G57-N68 WeakPolarHBondContact CA-O 3.08Å; R58-N68 PolarHBondContact N-O 3.18Å; R58-N68 PolarHBondContact O-N 2.87Å; S60-N68 WeakPolarHBondContact CB-ND2 3.33Å
69A98.3Very high97Very high7 Ų759.6 Ų59.66%0.05833%0.328CS..EExtended strand (participates in β ladder)trans-59.5138.2-179.900000111N39 L40 L41 V55 Q56N39-A69 VanDerWaalsContact O-CB 3.3Å; N39-A69 WeakPolarHBondContact O-CB 3.35Å; N39-A69 PolarHBondContact O-N 3.47Å; L40-A69 HydrophobicContact CD2-CB 4.3Å; L41-A69 VanDerWaalsContact CD2-O 3.25Å; L41-A69 WeakPolarHBondContact CD2-O 3.27Å; L41-A69 HydrophobicContact CG-CB 4.46Å; V55-A69 HydrophobicContact CG1-CB 4.39Å; Q56-A69 CarbonylContact O-C 3.58Å; Q56-A69 VanDerWaalsContact O-CA 3.27Å; Q56-A69 WeakPolarHBondContact O-CA 3.41Å
70T97.8Very high97Very high76 Ų7661.4 Ų61.447%0.46634%0.343SS..SBendtrans-106.5-9.4174.151.50000112.1Q56Q56-T70 PolarHBondContact O-N 2.8Å; Q56-T70 PolarHBondContact O-OG1 3.49Å
71A97.2Very high97Very high31 Ų3159.9 Ų59.926%0.25633%0.332SS..SBendtrans-146.5167.8174.200000110.6Q56Q56-A71 HydrophobicContact CB-CB 4.36Å
72E95.9Very high97.1Very high99 Ų9962.7 Ų62.746%0.46336%0.359SS..PPolyproline II helixtrans-65.8137172.5-70.1-62.1152.900110.9S42S42-E72 PolarHBondContact OG-OE1 2.95Å
73P97.1Very high97.2Very high19 Ų1964.7 Ų64.712%0.12336%0.359CS..PPolyproline II helixtrans-60.2139.2177.8-24.834.6000112.9I26 L40 E54 V55I26-P73 HydrophobicContact CD1-CG 4.3Å; L40-P73 HydrophobicContact CD2-CG 3.54Å; E54-P73 WeakPolarHBondContact O-CA 3.27Å; V55-P73 HydrophobicContact CG2-CB 4.2Å; V55-P73 HydrophobicContact CG2-CG 4.48Å
74V97.2Very high97.3Very high81 Ų8161.6 Ų61.649%0.49134%0.344SS..EExtended strand (participates in β ladder)trans-90118.6168.1-179.90000108.5I53 E54 F76I53-V74 CarbonylContact C-O 3.24Å; I53-V74 VanDerWaalsContact CA-O 3.29Å; I53-V74 WeakPolarHBondContact CA-O 3.25Å; E54-V74 HydrophobicContact CB-CB 4.2Å; E54-V74 PolarHBondContact N-O 3.2Å; E54-V74 PolarHBondContact O-N 2.78Å; V74-F76 HydrophobicContact CG1-CE1 4.47Å
75V97.4Very high97.4Very high48 Ų4865.7 Ų65.729%0.29137%0.365SS..EExtended strand (participates in β ladder)trans-101.3114.7-178.8-170.70000110.3P48 R51 I53P48-V75 HydrophobicContact CB-CB 4.48Å; P48-V75 HydrophobicContact CB-CG1 3.57Å; P48-V75 HydrophobicContact CB-CG2 3.99Å; R51-V75 HydrophobicContact CB-CG1 4.04Å; R51-V75 VanDerWaalsContact NE-CG1 3.33Å; R51-V75 PolarHBondContact NH2-O 2.92Å; I53-V75 HydrophobicContact CG2-CB 4.3Å; I53-V75 HydrophobicContact CG2-CG1 3.97Å; I53-V75 HydrophobicContact CG2-CG2 4.07Å
76F97.6Very high97.3Very high53 Ų5364.4 Ų64.423%0.23236%0.359CS..  trans-68.9141.5-178-74.836.8000109.5R51 V52 E54 V74 A80 S81 F84R51-F76 PolarHBondContact NE-O 2.86Å; R51-F76 PolarHBondContact NH2-O 2.9Å; V52-F76 HydrophobicContact CB-CB 4.13Å; V52-F76 HydrophobicContact CB-CD2 4.32Å; V52-F76 HydrophobicContact CB-CG 4.21Å; V52-F76 HydrophobicContact CG1-CD1 4.4Å; V52-F76 HydrophobicContact CG1-CD2 3.97Å; V52-F76 HydrophobicContact CG1-CE2 4.27Å; V52-F76 HydrophobicContact CG1-CG 4.05Å; V52-F76 WeakPolarHBondContact O-CB 3.41Å; V52-F76 PolarHBondContact O-N 3.27Å; E54-F76 HydrophobicContact CB-CE1 4.1Å; V74-F76 HydrophobicContact CG1-CE1 4.47Å; F76-A80 HydrophobicContact CB-CB 4.22Å; F76-A80 HydrophobicContact CD2-CB 4.45Å; F76-S81 PolarHBondContact O-OG 2.86Å; F76-F84 HydrophobicContact CD2-CD2 4.15Å; F76-F84 AromaticContact CE2-CD2 3.82Å; F76-F84 HydrophobicContact CE2-CD2 3.82Å; F76-F84 AromaticContact CE2-CE2 3.83Å; F76-F84 HydrophobicContact CE2-CE2 3.83Å
77S97.1Very high97.1Very high62 Ų6267.7 Ų67.743%0.43438%0.378SS..  trans-53.4159.9179.476.20000111.6E79 A80 S81S77-E79 PolarHBondContact O-N 3.38Å; S77-A80 PolarHBondContact O-N 2.81Å; S77-A80 VanDerWaalsContact OG-CB 3.25Å; S77-A80 WeakPolarHBondContact OG-CB 3.25Å; S77-A80 PolarHBondContact OG-N 2.82Å; S77-S81 WeakPolarHBondContact O-CB 3.35Å; S77-S81 PolarHBondContact O-N 2.88Å; S77-S81 PolarHBondContact O-OG 2.9Å
78Q96.5Very high97Very high162 Ų16272.6 Ų72.676%0.75740%0.404SS*.Hα-helixtrans-58.2-42177.8-174.8173.110.400111.4S81 A82Q78-S81 PolarHBondContact O-N 3.23Å; Q78-A82 WeakPolarHBondContact O-CB 3.3Å; Q78-A82 PolarHBondContact O-N 2.81Å
79E97.7Very high96.9Very high124 Ų12472.1 Ų72.158%0.57940%0.397SS*.Hα-helixtrans-64.1-45175.6-172.9-175.5170.800112.1S77 A82 K83S77-E79 PolarHBondContact O-N 3.38Å; E79-A82 PolarHBondContact O-N 2.89Å; E79-K83 HydrophobicContact CG-CD 4.21Å; E79-K83 WeakPolarHBondContact O-CG 3.18Å; E79-K83 PolarHBondContact O-N 3.29Å; E79-K83 VanDerWaalsContact O-N 3.15Å; E79-K83 IonicContact OE1-NZ 3.93Å; E79-K83 PolarHBondContact OE1-NZ 2.95Å
80A97.9Very high96.6Very high39 Ų3972.6 Ų72.632%0.32240%0.4SS..Hα-helixtrans-64.4-41.5178.200000111.5F76 S77 A82 K83 F84F76-A80 HydrophobicContact CB-CB 4.22Å; F76-A80 HydrophobicContact CD2-CB 4.45Å; S77-A80 PolarHBondContact O-N 2.81Å; S77-A80 VanDerWaalsContact OG-CB 3.25Å; S77-A80 WeakPolarHBondContact OG-CB 3.25Å; S77-A80 PolarHBondContact OG-N 2.82Å; A80-A82 PolarHBondContact O-N 3.06Å; A80-K83 CarbonylContact O-C 3.58Å; A80-K83 PolarHBondContact O-N 2.88Å; A80-F84 WeakPolarHBondContact O-CB 3.47Å; A80-F84 PolarHBondContact O-N 2.81Å
81S97.9Very high96.4Very high16 Ų1674.2 Ų74.211%0.11240%0.402CS..Hα-helixtrans-62-42.5176.7-59.40000111.5V52 F76 S77 Q78 K83 F84V52-S81 PolarHBondContact N-OG 2.82Å; F76-S81 PolarHBondContact O-OG 2.86Å; S77-S81 WeakPolarHBondContact O-CB 3.35Å; S77-S81 PolarHBondContact O-N 2.88Å; S77-S81 PolarHBondContact O-OG 2.9Å; Q78-S81 PolarHBondContact O-N 3.23Å; S81-K83 VanDerWaalsContact C-N 3.27Å; S81-K83 PolarHBondContact O-N 3.32Å; S81-F84 PolarHBondContact O-N 3.17Å
82A97.1Very high96.2Very high87 Ų8775 Ų7572%0.71941%0.408SS*.Hα-helixtrans-68-26.4179.200000113.3Q78 E79 A80Q78-A82 WeakPolarHBondContact O-CB 3.3Å; Q78-A82 PolarHBondContact O-N 2.81Å; E79-A82 PolarHBondContact O-N 2.89Å; A80-A82 PolarHBondContact O-N 3.06Å
83K97.6Very high96.1Very high149 Ų14972.7 Ų72.765%0.64840%0.399SS*.Hα-helixtrans-97-4.9178.7-68.4176.1177.91750113.3E79 A80 S81 D85E79-K83 HydrophobicContact CG-CD 4.21Å; E79-K83 WeakPolarHBondContact O-CG 3.18Å; E79-K83 PolarHBondContact O-N 3.29Å; E79-K83 VanDerWaalsContact O-N 3.15Å; E79-K83 IonicContact OE1-NZ 3.93Å; E79-K83 PolarHBondContact OE1-NZ 2.95Å; A80-K83 CarbonylContact O-C 3.58Å; A80-K83 PolarHBondContact O-N 2.88Å; S81-K83 VanDerWaalsContact C-N 3.27Å; S81-K83 PolarHBondContact O-N 3.32Å; K83-D85 PolarHBondContact O-N 2.84Å
84F97.1Very high95.8Very high50 Ų5077.4 Ų77.422%0.21942%0.419CS..  trans-73.4116.2-174.8-171.8-93.9000110.5V13 V52 F76 A80 S81 S86 Y89V13-F84 HydrophobicContact CG1-CE1 3.97Å; V13-F84 HydrophobicContact CG1-CE2 4.32Å; V13-F84 HydrophobicContact CG1-CZ 3.58Å; V52-F84 HydrophobicContact CG1-CD1 4.13Å; V52-F84 HydrophobicContact CG1-CD2 4.37Å; V52-F84 HydrophobicContact CG1-CE1 4.31Å; V52-F84 HydrophobicContact CG1-CG 4.16Å; V52-F84 HydrophobicContact CG2-CB 3.93Å; V52-F84 HydrophobicContact CG2-CD1 4.02Å; V52-F84 HydrophobicContact CG2-CG 4.08Å; F76-F84 HydrophobicContact CD2-CD2 4.15Å; F76-F84 AromaticContact CE2-CD2 3.82Å; F76-F84 HydrophobicContact CE2-CD2 3.82Å; F76-F84 AromaticContact CE2-CE2 3.83Å; F76-F84 HydrophobicContact CE2-CE2 3.83Å; A80-F84 WeakPolarHBondContact O-CB 3.47Å; A80-F84 PolarHBondContact O-N 2.81Å; S81-F84 PolarHBondContact O-N 3.17Å; F84-S86 PolarHBondContact O-N 2.99Å; F84-Y89 HydrophobicContact CE1-CG 4.24Å; F84-Y89 HydrophobicContact CZ-CD1 4.32Å; F84-Y89 AromaticContact CZ-CD2 3.86Å; F84-Y89 HydrophobicContact CZ-CD2 3.86Å; F84-Y89 AromaticContact CZ-CG 3.68Å; F84-Y89 HydrophobicContact CZ-CG 3.68Å
85D96.3Very high95.5Very high88 Ų8878.8 Ų78.847%0.47142%0.421SS..  trans-84.497.8175.7-170.4-25.6000109.8K83 D87 L88 Y89K83-D85 PolarHBondContact O-N 2.84Å; D85-D87 VanDerWaalsContact C-N 3.3Å; D85-D87 PolarHBondContact O-N 2.93Å; D85-D87 PolarHBondContact OD1-N 2.71Å; D85-D87 VanDerWaalsContact OD1-N 3.11Å; D85-L88 HydrophobicContact CB-CB 3.86Å; D85-L88 VanDerWaalsContact CG-CB 3.41Å; D85-L88 PolarHBondContact OD1-N 3.02Å; D85-Y89 PolarHBondContact O-N 3.03Å
86S94.1Very high95.2Very high38 Ų3877.9 Ų77.927%0.26642%0.416SS..Hα-helixtrans-67.8-31.6-179-62.20000112.4F84 Y89 S90F84-S86 PolarHBondContact O-N 2.99Å; S86-Y89 PolarHBondContact O-N 3.25Å; S86-S90 VanDerWaalsContact O-CB 3.28Å; S86-S90 WeakPolarHBondContact O-CB 3.45Å; S86-S90 PolarHBondContact O-N 3.34Å
87D94.1Very high94.7Very high116 Ų11678.1 Ų78.162%0.6243%0.428SS*.Hα-helixtrans-72.6-41.1-179.9-68-28.5000110.3D85 S90 Q91D85-D87 VanDerWaalsContact C-N 3.3Å; D85-D87 PolarHBondContact O-N 2.93Å; D85-D87 PolarHBondContact OD1-N 2.71Å; D85-D87 VanDerWaalsContact OD1-N 3.11Å; D87-S90 PolarHBondContact O-N 2.85Å; D87-Q91 VanDerWaalsContact O-CG 3.29Å; D87-Q91 WeakPolarHBondContact O-CG 3.44Å; D87-Q91 PolarHBondContact O-N 3Å; D87-Q91 PolarHBondContact O-NE2 3.31Å; D87-Q91 VanDerWaalsContact O-NE2 3.1Å
88L96.2Very high94.3Very high105 Ų10581.8 Ų81.855%0.5544%0.438SS..Hα-helixtrans-64.4-42.6173.6-177.761.2000111.6D85 Q91 A92D85-L88 HydrophobicContact CB-CB 3.86Å; D85-L88 VanDerWaalsContact CG-CB 3.41Å; D85-L88 PolarHBondContact OD1-N 3.02Å; L88-Q91 PolarHBondContact O-N 2.67Å; L88-A92 PolarHBondContact O-N 3.28Å
89Y96.1Very high94Very high65 Ų6578 Ų7826%0.25542%0.42SS..Hα-helixtrans-62.3-44.7175.1-179.9-94.7000111.5V13 A31 F84 D85 S86 Q91 A92 I93V13-Y89 HydrophobicContact CB-CD1 4.33Å; V13-Y89 HydrophobicContact CB-CE1 3.63Å; V13-Y89 HydrophobicContact CB-CE2 4.39Å; V13-Y89 HydrophobicContact CG1-CE1 4.29Å; V13-Y89 HydrophobicContact CG2-CE1 4.16Å; V13-Y89 HydrophobicContact CG2-CE2 4.2Å; V13-Y89 VanDerWaalsContact CG2-OH 3.28Å; V13-Y89 WeakPolarHBondContact CG2-OH 3.45Å; A31-Y89 HydrophobicContact CB-CD1 3.65Å; A31-Y89 HydrophobicContact CB-CE1 4.26Å; F84-Y89 HydrophobicContact CE1-CG 4.24Å; F84-Y89 HydrophobicContact CZ-CD1 4.32Å; F84-Y89 AromaticContact CZ-CD2 3.86Å; F84-Y89 HydrophobicContact CZ-CD2 3.86Å; F84-Y89 AromaticContact CZ-CG 3.68Å; F84-Y89 HydrophobicContact CZ-CG 3.68Å; D85-Y89 PolarHBondContact O-N 3.03Å; S86-Y89 PolarHBondContact O-N 3.25Å; Y89-Q91 VanDerWaalsContact C-N 3.32Å; Y89-Q91 PolarHBondContact O-N 2.82Å; Y89-A92 WeakPolarHBondContact O-CB 3.34Å; Y89-A92 PolarHBondContact O-N 3.35Å; Y89-A92 VanDerWaalsContact O-N 3.13Å; Y89-I93 HydrophobicContact CD1-CG1 4.08Å; Y89-I93 HydrophobicContact CE1-CD1 4.12Å; Y89-I93 HydrophobicContact CE1-CG1 3.59Å; Y89-I93 HydrophobicContact CE2-CD1 4.31Å; Y89-I93 HydrophobicContact CE2-CG1 4.41Å; Y89-I93 WeakPolarHBondContact O-CG1 3.41Å; Y89-I93 PolarHBondContact O-N 2.91Å
90S92.9Very high93.4Very high17 Ų1777.2 Ų77.212%0.11942%0.419CS..Hα-helixtrans-59-43176.4-1720000111.8S86 D87 I93 Q94S86-S90 VanDerWaalsContact O-CB 3.28Å; S86-S90 WeakPolarHBondContact O-CB 3.45Å; S86-S90 PolarHBondContact O-N 3.34Å; D87-S90 PolarHBondContact O-N 2.85Å; S90-I93 PolarHBondContact O-N 2.87Å; S90-Q94 WeakPolarHBondContact O-CG 3.27Å; S90-Q94 PolarHBondContact O-N 2.83Å
91Q93.3Very high93Very high109 Ų10981.5 Ų81.551%0.50943%0.433SS..Hα-helixtrans-60.8-44173-74.5168.972.200112.1D87 L88 Y89 I93 Q94 M95D87-Q91 VanDerWaalsContact O-CG 3.29Å; D87-Q91 WeakPolarHBondContact O-CG 3.44Å; D87-Q91 PolarHBondContact O-N 3Å; D87-Q91 PolarHBondContact O-NE2 3.31Å; D87-Q91 VanDerWaalsContact O-NE2 3.1Å; L88-Q91 PolarHBondContact O-N 2.67Å; Y89-Q91 VanDerWaalsContact C-N 3.32Å; Y89-Q91 PolarHBondContact O-N 2.82Å; Q91-I93 VanDerWaalsContact C-N 3.32Å; Q91-I93 PolarHBondContact O-N 2.96Å; Q91-Q94 PolarHBondContact O-N 2.85Å; Q91-M95 WeakPolarHBondContact O-CG 3.31Å; Q91-M95 PolarHBondContact O-N 2.82Å
92A94.2Very high92.7Very high47 Ų4788.5 Ų88.539%0.38846%0.461SS..Hα-helixtrans-60.3-41.6176.800000111.9L88 Y89 M95 T96L88-A92 PolarHBondContact O-N 3.28Å; Y89-A92 WeakPolarHBondContact O-CB 3.34Å; Y89-A92 PolarHBondContact O-N 3.35Å; Y89-A92 VanDerWaalsContact O-N 3.13Å; A92-M95 WeakPolarHBondContact O-CB 3.33Å; A92-M95 PolarHBondContact O-N 2.79Å; A92-T96 WeakPolarHBondContact O-CG2 3.44Å; A92-T96 PolarHBondContact O-N 2.75Å
93I92.6Very high92.3Very high52 Ų5290.9 Ų90.927%0.26745%0.453SS..Hα-helixtrans-66.2-38.2175.4-63.3-58.1000112M1 Y89 S90 Q91 M95 T96 A97M1-I93 HydrophobicContact SD-CG2 3.94Å; Y89-I93 HydrophobicContact CD1-CG1 4.08Å; Y89-I93 HydrophobicContact CE1-CD1 4.12Å; Y89-I93 HydrophobicContact CE1-CG1 3.59Å; Y89-I93 HydrophobicContact CE2-CD1 4.31Å; Y89-I93 HydrophobicContact CE2-CG1 4.41Å; Y89-I93 WeakPolarHBondContact O-CG1 3.41Å; Y89-I93 PolarHBondContact O-N 2.91Å; S90-I93 PolarHBondContact O-N 2.87Å; Q91-I93 VanDerWaalsContact C-N 3.32Å; Q91-I93 PolarHBondContact O-N 2.96Å; I93-M95 VanDerWaalsContact C-N 3.27Å; I93-M95 PolarHBondContact O-N 2.85Å; I93-T96 PolarHBondContact O-N 3.3Å; I93-T96 PolarHBondContact O-OG1 2.73Å; I93-A97 PolarHBondContact O-N 2.71Å
94Q90.6Very high91.7Very high118 Ų11890.4 Ų90.455%0.55146%0.455SS*.Hα-helixtrans-62.7-38173.8-69.6171.119.400111.3S90 Q91 A97 Q98S90-Q94 WeakPolarHBondContact O-CG 3.27Å; S90-Q94 PolarHBondContact O-N 2.83Å; Q91-Q94 PolarHBondContact O-N 2.85Å; Q94-A97 PolarHBondContact O-N 2.79Å; Q94-Q98 WeakPolarHBondContact O-CB 3.37Å; Q94-Q98 PolarHBondContact O-N 2.97Å
95M92.5Very high90.8Very high109 Ų10993.9 Ų93.954%0.53747%0.473SS..Hα-helixtrans-64.2-39.2175-69.5-179.670.400112.3Q91 A92 I93 A97 Q98 F99Q91-M95 WeakPolarHBondContact O-CG 3.31Å; Q91-M95 PolarHBondContact O-N 2.82Å; A92-M95 WeakPolarHBondContact O-CB 3.33Å; A92-M95 PolarHBondContact O-N 2.79Å; I93-M95 VanDerWaalsContact C-N 3.27Å; I93-M95 PolarHBondContact O-N 2.85Å; M95-A97 VanDerWaalsContact C-N 3.26Å; M95-A97 PolarHBondContact O-N 2.76Å; M95-Q98 PolarHBondContact O-N 2.82Å; M95-F99 HydrophobicContact CB-CD2 4.24Å; M95-F99 HydrophobicContact CE-CE2 4.48Å; M95-F99 VanDerWaalsContact O-CB 3.31Å; M95-F99 WeakPolarHBondContact O-CB 3.35Å; M95-F99 WeakPolarHBondContact O-CD2 3.5Å; M95-F99 PolarHBondContact O-N 2.79Å
96T90.6Very high89.8Confident30 Ų3095 Ų9518%0.18448%0.484CS..Hα-helixtrans-64.5-33178.165.90000112.4A92 I93 D100 Y103A92-T96 WeakPolarHBondContact O-CG2 3.44Å; A92-T96 PolarHBondContact O-N 2.75Å; I93-T96 PolarHBondContact O-N 3.3Å; I93-T96 PolarHBondContact O-OG1 2.73Å; T96-D100 WeakPolarHBondContact O-CA 3.44Å; T96-D100 PolarHBondContact O-N 3.31Å; T96-Y103 HydrophobicContact CG2-CD1 3.64Å; T96-Y103 HydrophobicContact CG2-CD2 3.68Å; T96-Y103 HydrophobicContact CG2-CE1 3.95Å; T96-Y103 HydrophobicContact CG2-CE2 3.98Å; T96-Y103 HydrophobicContact CG2-CG 3.48Å; T96-Y103 VanDerWaalsContact CG2-CG 3.48Å
97A85.9Confident88.1Confident58 Ų58101.7 Ų101.748%0.47951%0.514SS..Hα-helixtrans-75.9-37.9174.500000112.8M1 I93 Q94 M95 F99M1-A97 HydrophobicContact CE-CB 4.28Å; I93-A97 PolarHBondContact O-N 2.71Å; Q94-A97 PolarHBondContact O-N 2.79Å; M95-A97 VanDerWaalsContact C-N 3.26Å; M95-A97 PolarHBondContact O-N 2.76Å; A97-F99 VanDerWaalsContact C-N 3.33Å
98Q88.9Confident86.3Confident139 Ų139100.6 Ų100.665%0.6551%0.505SS*.Hα-helixtrans-72.3-29.2179.6-176.2176.2000112.7Q94 M95Q94-Q98 WeakPolarHBondContact O-CB 3.37Å; Q94-Q98 PolarHBondContact O-N 2.97Å; M95-Q98 PolarHBondContact O-N 2.82Å
99F90.6Very high83.7Confident83 Ų83103.9 Ų103.936%0.36455%0.547SS..THydrogen-bonded Turntrans-123.745.7-173.2-63.5-67.4000110.9M95 A97 Q101 F102 Y103M95-F99 HydrophobicContact CB-CD2 4.24Å; M95-F99 HydrophobicContact CE-CE2 4.48Å; M95-F99 VanDerWaalsContact O-CB 3.31Å; M95-F99 WeakPolarHBondContact O-CB 3.35Å; M95-F99 WeakPolarHBondContact O-CD2 3.5Å; M95-F99 PolarHBondContact O-N 2.79Å; A97-F99 VanDerWaalsContact C-N 3.33Å; F99-Q101 PolarHBondContact O-N 3.47Å; F99-Q101 VanDerWaalsContact O-N 3.13Å; F99-F102 HydrophobicContact CB-CD2 4.08Å; F99-F102 PolarHBondContact O-N 2.84Å; F99-Y103 PolarHBondContact O-N 2.85Å
100D85.6Confident83.1Confident107 Ų107105.9 Ų105.957%0.57256%0.562SS**G310 helixtrans-52.4-34.1-175.262.5-7000114.4T96 F102 Y103T96-D100 WeakPolarHBondContact O-CA 3.44Å; T96-D100 PolarHBondContact O-N 3.31Å; D100-F102 PolarHBondContact O-N 2.97Å; D100-F102 VanDerWaalsContact O-N 3.16Å; D100-Y103 CarbonylContact O-C 3.56Å; D100-Y103 VanDerWaalsContact O-C 3.24Å; D100-Y103 PolarHBondContact O-N 2.97Å; D100-Y103 VanDerWaalsContact O-N 3.13Å
101Q89.3Confident82.6Confident129 Ų129110.5 Ų110.560%0.60359%0.585SS**G310 helixtrans-60.2-22.117469.1-161.2-6.100114.4F99F99-Q101 PolarHBondContact O-N 3.47Å; F99-Q101 VanDerWaalsContact O-N 3.13Å
102F91.5Very high82Confident162 Ų162110.6 Ų110.671%0.71159%0.589SS**G310 helixtrans-103-14.1177.2-59.8-61.9000113F99 D100F99-F102 HydrophobicContact CB-CD2 4.08Å; F99-F102 PolarHBondContact O-N 2.84Å; D100-F102 PolarHBondContact O-N 2.97Å; D100-F102 VanDerWaalsContact O-N 3.16Å
103Y89Confident81.3Confident138 Ų138114.4 Ų114.454%0.54160%0.601SS.*SBendtrans-125.772176.7-161.2-90.7000109.7T96 F99 D100 Q105T96-Y103 HydrophobicContact CG2-CD1 3.64Å; T96-Y103 HydrophobicContact CG2-CD2 3.68Å; T96-Y103 HydrophobicContact CG2-CE1 3.95Å; T96-Y103 HydrophobicContact CG2-CE2 3.98Å; T96-Y103 HydrophobicContact CG2-CG 3.48Å; T96-Y103 VanDerWaalsContact CG2-CG 3.48Å; F99-Y103 PolarHBondContact O-N 2.85Å; D100-Y103 CarbonylContact O-C 3.56Å; D100-Y103 VanDerWaalsContact O-C 3.24Å; D100-Y103 PolarHBondContact O-N 2.97Å; D100-Y103 VanDerWaalsContact O-N 3.13Å; Y103-Q105 PolarHBondContact O-N 3.16Å; Y103-Q105 VanDerWaalsContact O-N 3.16Å
104I83.9Confident80.6Confident138 Ų138118.3 Ų118.371%0.70862%0.622SS**  trans-68.8114.8-171-56.3177.2000109.7
105Q79.5Confident79.9Confident124 Ų124118.3 Ų118.358%0.57963%0.627SS**PPolyproline II helixtrans-86.2122163.3-65.5-163.6-19.400108.6Y103 M107Y103-Q105 PolarHBondContact O-N 3.16Å; Y103-Q105 VanDerWaalsContact O-N 3.16Å; Q105-M107 PolarHBondContact O-N 3.3Å
106P74Confident79Confident110 Ų110118.9 Ų118.971%0.71463%0.633SS**PPolyproline II helixtrans-55129.4171.7-19.830.4000109E108P106-E108 PolarHBondContact O-N 2.82Å
107M58Low78.1Confident180 Ų180125.8 Ų125.889%0.88767%0.668SS**PPolyproline II helixtrans-61.6125.5169.3-74.4-178.465.700107.9Q105 A109Q105-M107 PolarHBondContact O-N 3.3Å; M107-A109 PolarHBondContact O-N 3.37Å
108E57.6Low77.5Confident93 Ų93131.4 Ų131.444%0.43568%0.683SS.*PPolyproline II helixtrans-58.6123.2167.7-71.5172.6127.400107.5R8 R58 P106R8-E108 IonicContact NE-OE2 2.66Å; R8-E108 PolarHBondContact NE-OE2 3Å; R8-E108 IonicContact NH2-OE2 3.24Å; R58-E108 IonicContact NH2-OE1 3.28Å; P106-E108 PolarHBondContact O-N 2.82Å
109A42.1Very low76.5Confident174 Ų174130.7 Ų130.7100%1.43869%0.686SS**  trans-73.10-177.500000112.6M107M107-A109 PolarHBondContact O-N 3.37Å

Retrieved 109 of 109 residues in 24.2 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).