A0A077ZK42_TRITR Loading...

Protein cbg endochitinase

AlphaFold DB , UniProt , Accession A0A077ZK42, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 148 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1A53.7Low72Confident138 Ų13859.5 Ų59.5100%1.14144%0.436SS*.  0141.4000000108.4G3A1-G3 PolarHBondContact O-N 3.27Å
2A62.9Low73.3Confident79 Ų7960.7 Ų60.765%0.65344%0.437SS*.  trans-72.339.4-175.700000114.3Y4A2-Y4 VanDerWaalsContact C-N 3.27Å; A2-Y4 HydrophobicContact CB-CD2 3.9Å; A2-Y4 HydrophobicContact CB-CE2 3.8Å; A2-Y4 PolarHBondContact O-N 3.04Å
3G63.6Low74.4Confident52 Ų5256 Ų5654%0.53640%0.403SS..SBendtrans73.312.8-179.300000115.2A1A1-G3 PolarHBondContact O-N 3.27Å
4Y62Low75.2Confident69 Ų6953.1 Ų53.127%0.27138%0.379SS..  trans-82.6127.3172.1-62.2-77000110.1A2 I8 H56A2-Y4 VanDerWaalsContact C-N 3.27Å; A2-Y4 HydrophobicContact CB-CD2 3.9Å; A2-Y4 HydrophobicContact CB-CE2 3.8Å; A2-Y4 PolarHBondContact O-N 3.04Å; Y4-I8 VanDerWaalsContact CB-CD1 3.49Å; Y4-I8 HydrophobicContact CD1-CG2 4.08Å; Y4-I8 HydrophobicContact CG-CG2 4.43Å; Y4-H56 AromaticContact CD1-CD2 3.28Å; Y4-H56 WeakPolarHBondContact CD1-CD2 2.97Å; Y4-H56 AromaticContact CD1-CE1 3.95Å; Y4-H56 AromaticContact CD1-CG 3.79Å; Y4-H56 AromaticContact CD1-NE2 3.37Å; Y4-H56 WeakPolarHBondContact CD1-NE2 3.47Å; Y4-H56 AromaticContact CE1-CD2 3.39Å; Y4-H56 WeakPolarHBondContact CE1-CD2 3.4Å; Y4-H56 AromaticContact CE1-NE2 3.74Å
5S64Low75.9Confident86 Ų8657.3 Ų57.360%0.60139%0.394SS*.  trans-141.4153.3174.561.60000110
6G68.6Low76.4Confident59 Ų5959.8 Ų59.861%0.60840%0.4SS*.SBendtrans78.2-159.6-176.500000113.6I8G6-I8 WeakPolarHBondContact O-CD1 3.23Å; G6-I8 WeakPolarHBondContact O-CG1 3.37Å; G6-I8 PolarHBondContact O-N 3.03Å
7P71.7Confident76.8Confident44 Ų4461.8 Ų61.829%0.28641%0.406SS..  trans-66.6122.3175.1-3.915.2000110.4F40 P50 A51P7-F40 HydrophobicContact CB-CE1 4.34Å; P7-F40 HydrophobicContact CB-CZ 3.76Å; P7-P50 WeakPolarHBondContact CG-O 3.04Å; P7-A51 WeakPolarHBondContact CB-O 3.19Å
8I82.4Confident77.1Confident57 Ų5762.6 Ų62.629%0.29241%0.406SS..  trans-124.3102.6-175.9-58.4148.1000106.7Y4 G6 P11 H56Y4-I8 VanDerWaalsContact CB-CD1 3.49Å; Y4-I8 HydrophobicContact CD1-CG2 4.08Å; Y4-I8 HydrophobicContact CG-CG2 4.43Å; G6-I8 WeakPolarHBondContact O-CD1 3.23Å; G6-I8 WeakPolarHBondContact O-CG1 3.37Å; G6-I8 PolarHBondContact O-N 3.03Å; I8-P11 VanDerWaalsContact CG2-CD 3.41Å; I8-P11 HydrophobicContact CG2-CG 3.46Å; I8-P11 VanDerWaalsContact CG2-CG 3.46Å; I8-H56 HydrophobicContact CG2-CB 4.48Å
9F89.3Confident77.4Confident25 Ų2562.5 Ų62.511%0.1140%0.4CS..  trans-99.1-31.7-173.1-177.2-107.6000113.5P11 T12 S13 R36 I37 F40 H56 L57F9-P11 VanDerWaalsContact C-CD 3.45Å; F9-T12 WeakPolarHBondContact O-CA 3.47Å; F9-T12 WeakPolarHBondContact O-CB 3.3Å; F9-T12 PolarHBondContact O-N 2.85Å; F9-S13 PolarHBondContact O-N 3.02Å; F9-R36 HydrophobicContact CE1-CB 3.75Å; F9-R36 HydrophobicContact CZ-CB 3.73Å; F9-I37 HydrophobicContact CD1-CG1 4Å; F9-I37 HydrophobicContact CE1-CG1 4.06Å; F9-F40 HydrophobicContact CB-CD1 3.96Å; F9-F40 HydrophobicContact CB-CD2 4.29Å; F9-F40 HydrophobicContact CB-CE1 3.98Å; F9-F40 HydrophobicContact CB-CE2 4.31Å; F9-F40 HydrophobicContact CB-CG 4.12Å; F9-F40 HydrophobicContact CB-CZ 4.15Å; F9-F40 HydrophobicContact CD1-CB 4.27Å; F9-F40 HydrophobicContact CD1-CG 4.37Å; F9-F40 HydrophobicContact CD2-CB 4.12Å; F9-F40 HydrophobicContact CD2-CD1 4.48Å; F9-F40 AromaticContact CD2-CD2 3.55Å; F9-F40 HydrophobicContact CD2-CD2 3.55Å; F9-F40 HydrophobicContact CD2-CE2 4.06Å; F9-F40 AromaticContact CD2-CG 3.79Å; F9-F40 HydrophobicContact CD2-CG 3.79Å; F9-F40 HydrophobicContact CE1-CB 4.35Å; F9-F40 HydrophobicContact CE2-CB 4.2Å; F9-F40 HydrophobicContact CE2-CD2 4.1Å; F9-F40 HydrophobicContact CE2-CG 4.32Å; F9-F40 HydrophobicContact CG-CB 4.16Å; F9-F40 HydrophobicContact CG-CD1 4.12Å; F9-F40 HydrophobicContact CG-CD2 4.01Å; F9-F40 HydrophobicContact CG-CE2 4.47Å; F9-F40 AromaticContact CG-CG 3.82Å; F9-F40 HydrophobicContact CG-CG 3.82Å; F9-F40 HydrophobicContact CZ-CB 4.31Å; F9-H56 PolarHBondContact N-O 2.84Å; F9-L57 HydrophobicContact CB-CD2 3.88Å; F9-L57 WeakPolarHBondContact CD1-O 3.38Å
10G88.2Confident77.9Confident0 Ų060.9 Ų60.90%039%0.39CS..Hα-helixtrans-47.6-48.7179.400000113.8T12 S13 F14 H56 L57 C59G10-T12 VanDerWaalsContact C-N 3.31Å; G10-T12 PolarHBondContact O-N 2.95Å; G10-S13 WeakPolarHBondContact O-CB 3.42Å; G10-S13 PolarHBondContact O-N 3.37Å; G10-F14 WeakPolarHBondContact O-CB 3.12Å; G10-F14 PolarHBondContact O-N 3.15Å; G10-H56 PolarHBondContact N-O 3.11Å; G10-L57 WeakPolarHBondContact CA-O 3.18Å; G10-L57 PolarHBondContact N-O 2.74Å; G10-C59 WeakPolarHBondContact O-CB 3.42Å
11P86Confident78.4Confident46 Ų4663.7 Ų63.730%0.29940%0.402SS..Hα-helixtrans-64.8-37.1179.9-11.419.4000112I8 F9 F14 I15 M62I8-P11 VanDerWaalsContact CG2-CD 3.41Å; I8-P11 HydrophobicContact CG2-CG 3.46Å; I8-P11 VanDerWaalsContact CG2-CG 3.46Å; F9-P11 VanDerWaalsContact C-CD 3.45Å; P11-F14 VanDerWaalsContact O-CB 3.27Å; P11-F14 WeakPolarHBondContact O-CB 3.07Å; P11-F14 PolarHBondContact O-N 3.03Å; P11-I15 WeakPolarHBondContact O-CG1 3.1Å; P11-I15 PolarHBondContact O-N 3.1Å; P11-M62 HydrophobicContact CB-CE 3.68Å; P11-M62 HydrophobicContact CG-CE 3.42Å; P11-M62 VanDerWaalsContact CG-CE 3.42Å
12T86.9Confident80.1Confident73 Ų7357.4 Ų57.445%0.44835%0.351SS..Hα-helixtrans-63.7-46.8175.1-53.10000110.3F9 G10 F14 I15 I16F9-T12 WeakPolarHBondContact O-CA 3.47Å; F9-T12 WeakPolarHBondContact O-CB 3.3Å; F9-T12 PolarHBondContact O-N 2.85Å; G10-T12 VanDerWaalsContact C-N 3.31Å; G10-T12 PolarHBondContact O-N 2.95Å; T12-F14 VanDerWaalsContact C-N 3.25Å; T12-F14 PolarHBondContact O-N 3Å; T12-I15 PolarHBondContact O-N 3.21Å; T12-I16 HydrophobicContact CG2-CD1 3.96Å; T12-I16 WeakPolarHBondContact O-CD1 3.44Å; T12-I16 WeakPolarHBondContact O-CG1 3.43Å; T12-I16 PolarHBondContact O-N 2.94Å
13S87.5Confident81.4Confident0 Ų056.6 Ų56.60%033%0.333CS..Hα-helixtrans-58.5-38.7174.2-173.70000111.9F9 G10 I16 N17 E33 R36F9-S13 PolarHBondContact O-N 3.02Å; G10-S13 WeakPolarHBondContact O-CB 3.42Å; G10-S13 PolarHBondContact O-N 3.37Å; S13-I16 PolarHBondContact O-N 2.92Å; S13-N17 PolarHBondContact O-N 3.12Å; S13-E33 WeakPolarHBondContact CB-OE1 3.11Å; S13-E33 WeakPolarHBondContact OG-CG 3.34Å; S13-E33 PolarHBondContact OG-OE1 2.75Å; S13-R36 PolarHBondContact OG-NE 2.98Å
14F86.6Confident82.6Confident15 Ų1557 Ų577%0.06632%0.323CS..Hα-helixtrans-60.8-50.5177.1-167.4-123.6000112.7G10 P11 T12 I16 N18 C20 C59 M62 L66G10-F14 WeakPolarHBondContact O-CB 3.12Å; G10-F14 PolarHBondContact O-N 3.15Å; P11-F14 VanDerWaalsContact O-CB 3.27Å; P11-F14 WeakPolarHBondContact O-CB 3.07Å; P11-F14 PolarHBondContact O-N 3.03Å; T12-F14 VanDerWaalsContact C-N 3.25Å; T12-F14 PolarHBondContact O-N 3Å; F14-I16 VanDerWaalsContact C-N 3.31Å; F14-I16 PolarHBondContact O-N 2.83Å; F14-N18 WeakPolarHBondContact CD2-OD1 3.49Å; F14-N18 WeakPolarHBondContact CE2-OD1 3.32Å; F14-N18 WeakPolarHBondContact O-CA 3.12Å; F14-N18 PolarHBondContact O-N 2.97Å; F14-C20 WeakPolarHBondContact CD2-SG 3.43Å; F14-C59 HydrophobicContact CB-CB 3.64Å; F14-C59 HydrophobicContact CD2-CB 3.66Å; F14-C59 HydrophobicContact CG-CB 4.03Å; F14-M62 HydrophobicContact CB-SD 3.93Å; F14-M62 HydrophobicContact CD1-SD 4.08Å; F14-M62 HydrophobicContact CD2-SD 4.43Å; F14-M62 HydrophobicContact CG-SD 3.91Å; F14-L66 HydrophobicContact CD1-CD2 4.11Å; F14-L66 HydrophobicContact CD1-CG 4.01Å; F14-L66 HydrophobicContact CE1-CB 4.12Å; F14-L66 HydrophobicContact CE1-CD2 3.78Å; F14-L66 HydrophobicContact CE1-CG 3.43Å; F14-L66 VanDerWaalsContact CE1-CG 3.43Å; F14-L66 HydrophobicContact CZ-CB 4.21Å; F14-L66 HydrophobicContact CZ-CG 3.81Å
15I84.9Confident83.7Confident117 Ų11759.9 Ų59.960%0.635%0.35SS*.Hα-helixtrans-64.8-35.6178.1-63-50.2000111.6P11 T12 L66P11-I15 WeakPolarHBondContact O-CG1 3.1Å; P11-I15 PolarHBondContact O-N 3.1Å; T12-I15 PolarHBondContact O-N 3.21Å; I15-L66 HydrophobicContact CD1-CD2 3.64Å
16I84.7Confident84.7Confident97 Ų9760.6 Ų60.650%0.49736%0.355SS..Hα-helixtrans-64.7-48.5-175.4-73.7165.2000112.2T12 S13 F14T12-I16 HydrophobicContact CG2-CD1 3.96Å; T12-I16 WeakPolarHBondContact O-CD1 3.44Å; T12-I16 WeakPolarHBondContact O-CG1 3.43Å; T12-I16 PolarHBondContact O-N 2.94Å; S13-I16 PolarHBondContact O-N 2.92Å; F14-I16 VanDerWaalsContact C-N 3.31Å; F14-I16 PolarHBondContact O-N 2.83Å
17N82.6Confident85.4Confident93 Ų9361.1 Ų61.150%0.49734%0.344SS..Hα-helixtrans-153.58.3-178-14927.2000115.9S13 E19S13-N17 PolarHBondContact O-N 3.12Å; N17-E19 HydrophobicContact CB-CG 4.17Å; N17-E19 PolarHBondContact ND2-OE1 3.11Å; N17-E19 PolarHBondContact O-N 3.35Å
18N83Confident85.5Confident76 Ų7664.2 Ų64.241%0.40636%0.364SS..  trans52.524.8-179.7-168.124.9000115F14 C20F14-N18 WeakPolarHBondContact CD2-OD1 3.49Å; F14-N18 WeakPolarHBondContact CE2-OD1 3.32Å; F14-N18 WeakPolarHBondContact O-CA 3.12Å; F14-N18 PolarHBondContact O-N 2.97Å; N18-C20 PolarHBondContact O-N 3.13Å
19E82.3Confident85.2Confident61 Ų6163.4 Ų63.429%0.28537%0.37SS..  trans-91.876.9178.5-64.5163.9161.300109.6N17 N21 G32 E33 R36N17-E19 HydrophobicContact CB-CG 4.17Å; N17-E19 PolarHBondContact ND2-OE1 3.11Å; N17-E19 PolarHBondContact O-N 3.35Å; E19-N21 PolarHBondContact O-N 3.46Å; E19-G32 WeakPolarHBondContact OE2-CA 3.37Å; E19-E33 WeakPolarHBondContact O-CB 3.37Å; E19-R36 IonicContact OE2-CZ 3.55Å; E19-R36 IonicContact OE2-NH1 2.74Å; E19-R36 PolarHBondContact OE2-NH1 3.21Å; E19-R36 IonicContact OE2-NH2 3.35Å; E19-R36 PolarHBondContact OE2-NH2 3.21Å
20C86.7Confident84.9Confident30 Ų3062.3 Ų62.320%0.20337%0.366CS..  trans-81.857.8-176.1-57.50000113.4F14 N18 E33 C59 K60F14-C20 WeakPolarHBondContact CD2-SG 3.43Å; N18-C20 PolarHBondContact O-N 3.13Å; C20-E33 WeakPolarHBondContact CA-OE2 2.98Å; C20-C59 WeakPolarHBondContact CA-SG 3.4Å; C20-C59 HydrophobicContact CB-CB 4.08Å; C20-C59 WeakPolarHBondContact CB-SG 3.27Å; C20-C59 WeakPolarHBondContact SG-CB 3.31Å; C20-C59 CovalentContact SG-SG 2.04Å; C20-C59 PolarHBondContact SG-SG 2.83Å; C20-K60 HydrophobicContact CB-CG 4.42Å; C20-K60 WeakPolarHBondContact O-CE 2.93Å; C20-K60 WeakPolarHBondContact O-CG 3.04Å
21N88.3Confident84.8Confident120 Ų12067.2 Ų67.264%0.64240%0.398SS*.  trans-96.1-0.7-178.6-65.7-41.6000113.6E19 E33 K60E19-N21 PolarHBondContact O-N 3.46Å; N21-E33 PolarHBondContact N-OE2 2.05Å; N21-K60 VanDerWaalsContact C-NZ 3.33Å; N21-K60 WeakPolarHBondContact O-CE 3.48Å; N21-K60 PolarHBondContact O-NZ 2.66Å
22G89Confident85Confident6 Ų665.9 Ų65.96%0.06239%0.392CS..  trans67.6-175-179.800000113.3E33 S34 T58G22-E33 WeakPolarHBondContact CA-OE2 3.39Å; G22-E33 PolarHBondContact N-OE2 3.41Å; G22-S34 WeakPolarHBondContact O-CA 3.15Å; G22-S34 PolarHBondContact O-N 3.39Å; G22-T58 WeakPolarHBondContact CA-OG1 3.43Å
23E90.6Very high85.2Confident63 Ų6362.4 Ų62.429%0.29437%0.371SS..  trans-79.3133170.6-171179.3-161.300110.4I37 K38 K41E23-I37 HydrophobicContact CB-CB 4.37Å; E23-I37 HydrophobicContact CB-CD1 4.1Å; E23-I37 HydrophobicContact CB-CG2 4.05Å; E23-I37 HydrophobicContact CG-CG2 4.27Å; E23-K38 HydrophobicContact CG-CD 4.49Å; E23-K38 VanDerWaalsContact CG-CE 3.45Å; E23-K38 HydrophobicContact CG-CG 4.13Å; E23-K38 VanDerWaalsContact OE1-CE 3.25Å; E23-K38 WeakPolarHBondContact OE1-CE 3.34Å; E23-K38 WeakPolarHBondContact OE1-CG 3.48Å; E23-K41 IonicContact OE1-NZ 2.68Å; E23-K41 IonicContact OE2-NZ 2.7Å; E23-K41 PolarHBondContact OE2-NZ 2.03Å
24D88.7Confident85.5Confident59 Ų5962.7 Ų62.732%0.31637%0.373SS..  trans-77.6120.3167.3-170.7-47.5000108.7S26 D27 S34 K38D24-S26 PolarHBondContact O-N 3.38Å; D24-S26 WeakPolarHBondContact OD1-CA 3.33Å; D24-S26 WeakPolarHBondContact OD1-CB 3.23Å; D24-S26 PolarHBondContact OD1-N 3.23Å; D24-S26 PolarHBondContact OD1-OG 2.72Å; D24-D27 HydrophobicContact CB-CB 4.45Å; D24-D27 PolarHBondContact OD1-N 3.46Å; D24-S34 PolarHBondContact N-OG 2.89Å; D24-K38 VanDerWaalsContact O-CE 3.27Å; D24-K38 WeakPolarHBondContact O-CE 3.48Å; D24-K38 PolarHBondContact O-NZ 3.19Å
25P85.3Confident85.8Confident130 Ų13069.3 Ų69.384%0.84440%0.397SS*.SBendtrans-70.8-20.7-17829.5-35.3000113.3
26S86.3Confident86.1Confident101 Ų10166 Ų6671%0.70638%0.378SS*.SBendtrans-103.3-40.5-170.365.50000113.6D24 P28D24-S26 PolarHBondContact O-N 3.38Å; D24-S26 WeakPolarHBondContact OD1-CA 3.33Å; D24-S26 WeakPolarHBondContact OD1-CB 3.23Å; D24-S26 PolarHBondContact OD1-N 3.23Å; D24-S26 PolarHBondContact OD1-OG 2.72Å; S26-P28 WeakPolarHBondContact O-CD 3.39Å
27D81.8Confident86.5Confident70 Ų7061.5 Ų61.537%0.37435%0.354SS..  trans-94.9108-174.9-180-3000111.6D24 G29 G30 K38D24-D27 HydrophobicContact CB-CB 4.45Å; D24-D27 PolarHBondContact OD1-N 3.46Å; D27-G29 PolarHBondContact O-N 3.06Å; D27-G29 PolarHBondContact OD1-N 2.86Å; D27-G30 PolarHBondContact O-N 3.45Å; D27-G30 PolarHBondContact OD1-N 3.16Å; D27-G30 WeakPolarHBondContact OD2-CA 3.33Å; D27-G30 PolarHBondContact OD2-N 3.05Å; D27-K38 VanDerWaalsContact C-NZ 3.3Å; D27-K38 PolarHBondContact O-NZ 3.04Å
28P75.3Confident87Confident109 Ų10959 Ų5971%0.70834%0.339SS*.THydrogen-bonded Turntrans-59.9-20-179.627.5-35.4000114.3S26 K38S26-P28 WeakPolarHBondContact O-CD 3.39Å; P28-K38 WeakPolarHBondContact O-CD 3.28Å
29G74.7Confident87.5Confident40 Ų4057.3 Ų57.341%0.41234%0.336SS..THydrogen-bonded Turntrans-117.28.6-174.500000115.6D27D27-G29 PolarHBondContact O-N 3.06Å; D27-G29 PolarHBondContact OD1-N 2.86Å
30G82.7Confident88Confident2 Ų256.7 Ų56.72%0.02133%0.332CS..  trans-50141.5-173.900000113.3D27 R35D27-G30 PolarHBondContact O-N 3.45Å; D27-G30 PolarHBondContact OD1-N 3.16Å; D27-G30 WeakPolarHBondContact OD2-CA 3.33Å; D27-G30 PolarHBondContact OD2-N 3.05Å; G30-R35 VanDerWaalsContact O-CB 3.31Å; G30-R35 WeakPolarHBondContact O-CB 3.23Å; G30-R35 PolarHBondContact O-N 2.68Å; G30-R35 VanDerWaalsContact O-N 3.1Å
31P87.8Confident88.3Confident103 Ų10357.5 Ų57.567%0.66933%0.332SS*.THydrogen-bonded Turntrans-70.2174.2-172.630.7-36.4000113.2
32G89.1Confident88.6Confident18 Ų1858.9 Ų58.919%0.18633%0.329CS..THydrogen-bonded Turntrans66.6-135171.300000114.4E19 S34 R35 R36E19-G32 WeakPolarHBondContact OE2-CA 3.37Å; G32-S34 VanDerWaalsContact C-N 3.27Å; G32-S34 PolarHBondContact O-N 3.35Å; G32-R35 PolarHBondContact O-N 3.01Å; G32-R36 PolarHBondContact O-N 3.45Å
33E91.8Very high88.8Confident1 Ų163.5 Ų63.51%0.00535%0.347CS..Hα-helixtrans-61.7-33.3-178.3169.3168.5-112.500112.8S13 E19 C20 N21 G22 R35 R36 I37 T58 C59S13-E33 WeakPolarHBondContact CB-OE1 3.11Å; S13-E33 WeakPolarHBondContact OG-CG 3.34Å; S13-E33 PolarHBondContact OG-OE1 2.75Å; E19-E33 WeakPolarHBondContact O-CB 3.37Å; C20-E33 WeakPolarHBondContact CA-OE2 2.98Å; N21-E33 PolarHBondContact N-OE2 2.05Å; G22-E33 WeakPolarHBondContact CA-OE2 3.39Å; G22-E33 PolarHBondContact N-OE2 3.41Å; E33-R35 PolarHBondContact O-N 3.01Å; E33-R36 VanDerWaalsContact N-NH2 3.15Å; E33-R36 WeakPolarHBondContact O-CB 3.41Å; E33-R36 PolarHBondContact O-N 3.4Å; E33-R36 VanDerWaalsContact O-N 3.09Å; E33-I37 HydrophobicContact CG-CD1 3.48Å; E33-I37 VanDerWaalsContact CG-CD1 3.48Å; E33-I37 HydrophobicContact CG-CG1 3.93Å; E33-I37 WeakPolarHBondContact O-CG1 3.42Å; E33-I37 PolarHBondContact O-N 3.04Å; E33-T58 WeakPolarHBondContact OE1-CA 3.44Å; E33-T58 PolarHBondContact OE2-OG1 3.24Å; E33-C59 PolarHBondContact OE1-N 2.95Å; E33-C59 PolarHBondContact OE1-SG 3.18Å; E33-C59 VanDerWaalsContact OE1-SG 3.32Å
34S92.5Very high89Confident6 Ų661 Ų614%0.04234%0.336CS..Hα-helixtrans-56.9-50.9177.8-1780000111.6G22 D24 G32 R36 I37 K38G22-S34 WeakPolarHBondContact O-CA 3.15Å; G22-S34 PolarHBondContact O-N 3.39Å; D24-S34 PolarHBondContact N-OG 2.89Å; G32-S34 VanDerWaalsContact C-N 3.27Å; G32-S34 PolarHBondContact O-N 3.35Å; S34-R36 VanDerWaalsContact C-N 3.28Å; S34-R36 PolarHBondContact O-N 3.19Å; S34-I37 PolarHBondContact O-N 3.33Å; S34-K38 WeakPolarHBondContact O-CG 3.28Å; S34-K38 PolarHBondContact O-N 3.4Å
35R92.9Very high89.2Confident153 Ų15366.6 Ų66.658%0.57736%0.358SS*.Hα-helixtrans-56.5-43.5174.7-172178.1-61.9179.10.4112.1G30 G32 E33 K38 A39G30-R35 VanDerWaalsContact O-CB 3.31Å; G30-R35 WeakPolarHBondContact O-CB 3.23Å; G30-R35 PolarHBondContact O-N 2.68Å; G30-R35 VanDerWaalsContact O-N 3.1Å; G32-R35 PolarHBondContact O-N 3.01Å; E33-R35 PolarHBondContact O-N 3.01Å; R35-K38 PolarHBondContact O-N 2.91Å; R35-A39 VanDerWaalsContact O-CB 3.31Å; R35-A39 WeakPolarHBondContact O-CB 3.49Å; R35-A39 PolarHBondContact O-N 3.01Å
36R92.7Very high89.7Confident49 Ų4967.9 Ų67.919%0.18535%0.347CS..Hα-helixtrans-64.1-45.7-178.7-77-168.5-68.2-88.31111.4F9 S13 E19 G32 E33 S34 F40F9-R36 HydrophobicContact CE1-CB 3.75Å; F9-R36 HydrophobicContact CZ-CB 3.73Å; S13-R36 PolarHBondContact OG-NE 2.98Å; E19-R36 IonicContact OE2-CZ 3.55Å; E19-R36 IonicContact OE2-NH1 2.74Å; E19-R36 PolarHBondContact OE2-NH1 3.21Å; E19-R36 IonicContact OE2-NH2 3.35Å; E19-R36 PolarHBondContact OE2-NH2 3.21Å; G32-R36 PolarHBondContact O-N 3.45Å; E33-R36 VanDerWaalsContact N-NH2 3.15Å; E33-R36 WeakPolarHBondContact O-CB 3.41Å; E33-R36 PolarHBondContact O-N 3.4Å; E33-R36 VanDerWaalsContact O-N 3.09Å; S34-R36 VanDerWaalsContact C-N 3.28Å; S34-R36 PolarHBondContact O-N 3.19Å; R36-F40 WeakPolarHBondContact O-CB 3.02Å; R36-F40 PolarHBondContact O-N 2.84Å
37I93Very high90.2Very high2 Ų269.5 Ų69.51%0.0134%0.342CS..Hα-helixtrans-63.7-45.3176.1-67.6170.4000110.9F9 E23 E33 S34 F40 K41 L57F9-I37 HydrophobicContact CD1-CG1 4Å; F9-I37 HydrophobicContact CE1-CG1 4.06Å; E23-I37 HydrophobicContact CB-CB 4.37Å; E23-I37 HydrophobicContact CB-CD1 4.1Å; E23-I37 HydrophobicContact CB-CG2 4.05Å; E23-I37 HydrophobicContact CG-CG2 4.27Å; E33-I37 HydrophobicContact CG-CD1 3.48Å; E33-I37 VanDerWaalsContact CG-CD1 3.48Å; E33-I37 HydrophobicContact CG-CG1 3.93Å; E33-I37 WeakPolarHBondContact O-CG1 3.42Å; E33-I37 PolarHBondContact O-N 3.04Å; S34-I37 PolarHBondContact O-N 3.33Å; I37-F40 WeakPolarHBondContact O-CB 3.44Å; I37-F40 PolarHBondContact O-N 3.45Å; I37-K41 HydrophobicContact CG2-CD 4.22Å; I37-K41 HydrophobicContact CG2-CG 4.43Å; I37-K41 WeakPolarHBondContact O-CG 3.41Å; I37-K41 PolarHBondContact O-N 3.3Å; I37-L57 WeakPolarHBondContact CD1-O 3.41Å; I37-L57 HydrophobicContact CG1-CB 4.43Å; I37-L57 VanDerWaalsContact CG1-O 3.32Å; I37-L57 WeakPolarHBondContact CG1-O 3.32Å; I37-L57 HydrophobicContact CG2-CB 4.19Å; I37-L57 HydrophobicContact CG2-CD1 4.34Å
38K92.8Very high90.7Very high40 Ų4073.4 Ų73.417%0.17436%0.362CS..Hα-helixtrans-63.6-43.5179.5-73.1-178.6-175.2-162.90112.5E23 D24 D27 P28 S34 R35 F40 K41 W42E23-K38 HydrophobicContact CG-CD 4.49Å; E23-K38 VanDerWaalsContact CG-CE 3.45Å; E23-K38 HydrophobicContact CG-CG 4.13Å; E23-K38 VanDerWaalsContact OE1-CE 3.25Å; E23-K38 WeakPolarHBondContact OE1-CE 3.34Å; E23-K38 WeakPolarHBondContact OE1-CG 3.48Å; D24-K38 VanDerWaalsContact O-CE 3.27Å; D24-K38 WeakPolarHBondContact O-CE 3.48Å; D24-K38 PolarHBondContact O-NZ 3.19Å; D27-K38 VanDerWaalsContact C-NZ 3.3Å; D27-K38 PolarHBondContact O-NZ 3.04Å; P28-K38 WeakPolarHBondContact O-CD 3.28Å; S34-K38 WeakPolarHBondContact O-CG 3.28Å; S34-K38 PolarHBondContact O-N 3.4Å; R35-K38 PolarHBondContact O-N 2.91Å; K38-F40 VanDerWaalsContact C-N 3.33Å; K38-F40 PolarHBondContact O-N 3.4Å; K38-K41 PolarHBondContact O-N 2.99Å; K38-W42 WeakPolarHBondContact O-CB 3.48Å; K38-W42 PolarHBondContact O-N 3.16Å
39A93.3Very high91.6Very high41 Ų4171.9 Ų71.934%0.33935%0.351SS..Hα-helixtrans-60.4-44.7173.400000111.1R35 W42 F43R35-A39 VanDerWaalsContact O-CB 3.31Å; R35-A39 WeakPolarHBondContact O-CB 3.49Å; R35-A39 PolarHBondContact O-N 3.01Å; A39-W42 PolarHBondContact O-N 3.33Å; A39-F43 WeakPolarHBondContact O-CD2 3.37Å; A39-F43 PolarHBondContact O-N 2.63Å
40F93.4Very high92.4Very high47 Ų4774.7 Ų74.721%0.20636%0.362CS..Hα-helixtrans-58.7-50.3176.3-179.4-100.5000112.1P7 F9 R36 I37 K38 W42 F43 C44 A51 L57P7-F40 HydrophobicContact CB-CE1 4.34Å; P7-F40 HydrophobicContact CB-CZ 3.76Å; F9-F40 HydrophobicContact CB-CD1 3.96Å; F9-F40 HydrophobicContact CB-CD2 4.29Å; F9-F40 HydrophobicContact CB-CE1 3.98Å; F9-F40 HydrophobicContact CB-CE2 4.31Å; F9-F40 HydrophobicContact CB-CG 4.12Å; F9-F40 HydrophobicContact CB-CZ 4.15Å; F9-F40 HydrophobicContact CD1-CB 4.27Å; F9-F40 HydrophobicContact CD1-CG 4.37Å; F9-F40 HydrophobicContact CD2-CB 4.12Å; F9-F40 HydrophobicContact CD2-CD1 4.48Å; F9-F40 AromaticContact CD2-CD2 3.55Å; F9-F40 HydrophobicContact CD2-CD2 3.55Å; F9-F40 HydrophobicContact CD2-CE2 4.06Å; F9-F40 AromaticContact CD2-CG 3.79Å; F9-F40 HydrophobicContact CD2-CG 3.79Å; F9-F40 HydrophobicContact CE1-CB 4.35Å; F9-F40 HydrophobicContact CE2-CB 4.2Å; F9-F40 HydrophobicContact CE2-CD2 4.1Å; F9-F40 HydrophobicContact CE2-CG 4.32Å; F9-F40 HydrophobicContact CG-CB 4.16Å; F9-F40 HydrophobicContact CG-CD1 4.12Å; F9-F40 HydrophobicContact CG-CD2 4.01Å; F9-F40 HydrophobicContact CG-CE2 4.47Å; F9-F40 AromaticContact CG-CG 3.82Å; F9-F40 HydrophobicContact CG-CG 3.82Å; F9-F40 HydrophobicContact CZ-CB 4.31Å; R36-F40 WeakPolarHBondContact O-CB 3.02Å; R36-F40 PolarHBondContact O-N 2.84Å; I37-F40 WeakPolarHBondContact O-CB 3.44Å; I37-F40 PolarHBondContact O-N 3.45Å; K38-F40 VanDerWaalsContact C-N 3.33Å; K38-F40 PolarHBondContact O-N 3.4Å; F40-W42 VanDerWaalsContact C-N 3.3Å; F40-W42 PolarHBondContact O-N 2.69Å; F40-F43 PolarHBondContact O-N 2.82Å; F40-C44 PolarHBondContact O-N 2.93Å; F40-C44 PolarHBondContact O-SG 3.27Å; F40-C44 VanDerWaalsContact O-SG 3.37Å; F40-A51 HydrophobicContact CE1-CB 4.28Å; F40-A51 WeakPolarHBondContact CE1-O 3.34Å; F40-L57 HydrophobicContact CD1-CD2 3.78Å; F40-L57 HydrophobicContact CE1-CD2 3.54Å
41K92.8Very high92.7Very high47 Ų4775.8 Ų75.820%0.20437%0.371CS..Hα-helixtrans-58.5-41.1175.7-72.5-178.1179.1-176.90112.2E23 I37 K38 C44 K45 A51 E54 L57E23-K41 IonicContact OE1-NZ 2.68Å; E23-K41 IonicContact OE2-NZ 2.7Å; E23-K41 PolarHBondContact OE2-NZ 2.03Å; I37-K41 HydrophobicContact CG2-CD 4.22Å; I37-K41 HydrophobicContact CG2-CG 4.43Å; I37-K41 WeakPolarHBondContact O-CG 3.41Å; I37-K41 PolarHBondContact O-N 3.3Å; K38-K41 PolarHBondContact O-N 2.99Å; K41-C44 PolarHBondContact O-N 2.93Å; K41-K45 PolarHBondContact O-N 3.37Å; K41-A51 HydrophobicContact CG-CB 4.3Å; K41-E54 WeakPolarHBondContact CE-OE1 3.5Å; K41-E54 WeakPolarHBondContact CE-OE2 3.41Å; K41-E54 IonicContact NZ-OE1 3.19Å; K41-E54 PolarHBondContact NZ-OE1 3.07Å; K41-E54 IonicContact NZ-OE2 2.68Å; K41-E54 PolarHBondContact NZ-OE2 2.67Å; K41-L57 HydrophobicContact CD-CD1 4.38Å; K41-L57 HydrophobicContact CG-CD1 4.22Å
42W93.3Very high92.8Very high149 Ų14972.7 Ų72.756%0.56436%0.357SS*.Hα-helixtrans-62.1-46.5176.7-173.695.9000111.5K38 A39 F40 K45 Y46K38-W42 WeakPolarHBondContact O-CB 3.48Å; K38-W42 PolarHBondContact O-N 3.16Å; A39-W42 PolarHBondContact O-N 3.33Å; F40-W42 VanDerWaalsContact C-N 3.3Å; F40-W42 PolarHBondContact O-N 2.69Å; W42-K45 WeakPolarHBondContact O-CB 3.06Å; W42-K45 PolarHBondContact O-N 3.1Å; W42-Y46 AromaticContact CH2-CD2 3.81Å; W42-Y46 HydrophobicContact CH2-CD2 3.81Å; W42-Y46 HydrophobicContact CH2-CE2 4.47Å; W42-Y46 HydrophobicContact CH2-CG 4.16Å; W42-Y46 HydrophobicContact CZ2-CD2 4.42Å; W42-Y46 HydrophobicContact CZ3-CD2 4.24Å; W42-Y46 HydrophobicContact CZ3-CG 4.12Å; W42-Y46 WeakPolarHBondContact O-CB 3.41Å; W42-Y46 PolarHBondContact O-N 3.03Å
43F94.7Very high92.7Very high104 Ų10476.5 Ų76.546%0.45637%0.371SS..Hα-helixtrans-65.2-41.4176.7-75.7-60000112.2A39 F40 K45 Y46 F47A39-F43 WeakPolarHBondContact O-CD2 3.37Å; A39-F43 PolarHBondContact O-N 2.63Å; F40-F43 PolarHBondContact O-N 2.82Å; F43-K45 VanDerWaalsContact C-N 3.29Å; F43-K45 PolarHBondContact O-N 2.86Å; F43-Y46 PolarHBondContact O-N 3.4Å; F43-Y46 VanDerWaalsContact O-N 3.15Å; F43-F47 HydrophobicContact CB-CD2 4.33Å; F43-F47 HydrophobicContact CB-CE2 4.33Å; F43-F47 HydrophobicContact CD1-CE2 4.03Å; F43-F47 WeakPolarHBondContact O-CD2 3.4Å; F43-F47 PolarHBondContact O-N 3.38Å
44C93.8Very high92.5Very high10 Ų1081.8 Ų81.87%0.06840%0.395CS..Hα-helixtrans-56.5-44.8173.7-73.20000111.4F40 K41 F47 N48 V49 A51F40-C44 PolarHBondContact O-N 2.93Å; F40-C44 PolarHBondContact O-SG 3.27Å; F40-C44 VanDerWaalsContact O-SG 3.37Å; K41-C44 PolarHBondContact O-N 2.93Å; C44-F47 PolarHBondContact O-N 3.32Å; C44-N48 PolarHBondContact O-N 3.2Å; C44-V49 CarbonylContact C-O 3.58Å; C44-V49 HydrophobicContact CB-CG2 4.07Å; C44-V49 WeakPolarHBondContact CB-O 3.41Å; C44-V49 PolarHBondContact O-N 2.94Å; C44-V49 VanDerWaalsContact O-O 3.08Å; C44-A51 HydrophobicContact CB-CB 4.06Å
45K93.5Very high92.2Very high176 Ų17688.4 Ų88.477%0.76542%0.419SS*.Hα-helixtrans-62.7-44.9174.2-175.8179.5179.8179.60112.1K41 W42 F43 F47 N48K41-K45 PolarHBondContact O-N 3.37Å; W42-K45 WeakPolarHBondContact O-CB 3.06Å; W42-K45 PolarHBondContact O-N 3.1Å; F43-K45 VanDerWaalsContact C-N 3.29Å; F43-K45 PolarHBondContact O-N 2.86Å; K45-F47 VanDerWaalsContact C-N 3.35Å; K45-F47 PolarHBondContact O-N 3.03Å; K45-N48 PolarHBondContact O-N 3.08Å
46Y95.7Very high91.9Very high157 Ų15781.3 Ų81.362%0.61639%0.393SS*.Hα-helixtrans-59.9-43.4179.4179.1-92.8000112.2W42 F43 N48W42-Y46 AromaticContact CH2-CD2 3.81Å; W42-Y46 HydrophobicContact CH2-CD2 3.81Å; W42-Y46 HydrophobicContact CH2-CE2 4.47Å; W42-Y46 HydrophobicContact CH2-CG 4.16Å; W42-Y46 HydrophobicContact CZ2-CD2 4.42Å; W42-Y46 HydrophobicContact CZ3-CD2 4.24Å; W42-Y46 HydrophobicContact CZ3-CG 4.12Å; W42-Y46 WeakPolarHBondContact O-CB 3.41Å; W42-Y46 PolarHBondContact O-N 3.03Å; F43-Y46 PolarHBondContact O-N 3.4Å; F43-Y46 VanDerWaalsContact O-N 3.15Å; Y46-N48 VanDerWaalsContact C-N 3.3Å; Y46-N48 PolarHBondContact O-N 2.85Å
47F95.7Very high91.8Very high136 Ų13679 Ų7960%0.59638%0.384SS*.THydrogen-bonded Turntrans-86.74.2178.7-64.8-64.2000114F43 C44 K45 V49F43-F47 HydrophobicContact CB-CD2 4.33Å; F43-F47 HydrophobicContact CB-CE2 4.33Å; F43-F47 HydrophobicContact CD1-CE2 4.03Å; F43-F47 WeakPolarHBondContact O-CD2 3.4Å; F43-F47 PolarHBondContact O-N 3.38Å; C44-F47 PolarHBondContact O-N 3.32Å; K45-F47 VanDerWaalsContact C-N 3.35Å; K45-F47 PolarHBondContact O-N 3.03Å; F47-V49 VanDerWaalsContact C-N 3.31Å; F47-V49 HydrophobicContact CB-CG2 4.35Å; F47-V49 PolarHBondContact O-N 3.43Å
48N93.3Very high91.7Very high151 Ų15180 Ų8081%0.80739%0.39SS*.THydrogen-bonded Turntrans52.844.5-177.6-165.242.5000113.6C44 K45 Y46C44-N48 PolarHBondContact O-N 3.2Å; K45-N48 PolarHBondContact O-N 3.08Å; Y46-N48 VanDerWaalsContact C-N 3.3Å; Y46-N48 PolarHBondContact O-N 2.85Å
49V93.1Very high91.4Very high78 Ų7878.3 Ų78.347%0.47338%0.383SS..  trans-117147.6173.7-63.30000110.1C44 F47C44-V49 CarbonylContact C-O 3.58Å; C44-V49 HydrophobicContact CB-CG2 4.07Å; C44-V49 WeakPolarHBondContact CB-O 3.41Å; C44-V49 PolarHBondContact O-N 2.94Å; C44-V49 VanDerWaalsContact O-O 3.08Å; F47-V49 VanDerWaalsContact C-N 3.31Å; F47-V49 HydrophobicContact CB-CG2 4.35Å; F47-V49 PolarHBondContact O-N 3.43Å
50P91.4Very high91.1Very high99 Ų9982.7 Ų82.764%0.64340%0.395SS*.  trans-63.2144.8175.126.8-34000110.4P7P7-P50 WeakPolarHBondContact CG-O 3.04Å
51A90.4Very high90.5Very high24 Ų2483.5 Ų83.520%0.19842%0.416CS..  trans-79.5-19.7174.100000112.8P7 F40 K41 C44 L57P7-A51 WeakPolarHBondContact CB-O 3.19Å; F40-A51 HydrophobicContact CE1-CB 4.28Å; F40-A51 WeakPolarHBondContact CE1-O 3.34Å; K41-A51 HydrophobicContact CG-CB 4.3Å; C44-A51 HydrophobicContact CB-CB 4.06Å; A51-L57 HydrophobicContact CB-CD1 4.48Å; A51-L57 WeakPolarHBondContact O-CD2 3.18Å
52G88.8Confident89.8Confident38 Ų3883.3 Ų83.339%0.39242%0.416SS..  trans92.1-172.8-173.800000112.8
53E87.7Confident89Confident99 Ų9980.6 Ų80.646%0.46342%0.418SS..  trans-76.2140-178.3-64.9177.4-163.400111.6R55 H56 L57E53-R55 HydrophobicContact CB-CG 4.12Å; E53-R55 PolarHBondContact O-N 2.98Å; E53-R55 VanDerWaalsContact O-N 3.12Å; E53-R55 IonicContact OE1-NH2 3.87Å; E53-R55 IonicContact OE2-CZ 2.76Å; E53-R55 IonicContact OE2-NE 3.85Å; E53-R55 PolarHBondContact OE2-NE 3.47Å; E53-R55 IonicContact OE2-NH2 2.85Å; E53-R55 PolarHBondContact OE2-NH2 2.85Å; E53-H56 WeakPolarHBondContact O-CB 3.37Å; E53-H56 PolarHBondContact O-N 2.81Å; E53-H56 IonicContact OE2-CE1 3.85Å; E53-L57 PolarHBondContact O-N 3.34Å
54E87.4Confident88.1Confident112 Ų11279.1 Ų79.152%0.52342%0.418SS..Hα-helixtrans-52.6-38.7-179.3-68-63.5161.500113.4K41 H56 L57K41-E54 WeakPolarHBondContact CE-OE1 3.5Å; K41-E54 WeakPolarHBondContact CE-OE2 3.41Å; K41-E54 IonicContact NZ-OE1 3.19Å; K41-E54 PolarHBondContact NZ-OE1 3.07Å; K41-E54 IonicContact NZ-OE2 2.68Å; K41-E54 PolarHBondContact NZ-OE2 2.67Å; E54-H56 PolarHBondContact O-N 2.97Å; E54-H56 VanDerWaalsContact O-N 3.15Å; E54-L57 PolarHBondContact O-N 3.36Å
55R86.1Confident87.1Confident145 Ų14580.6 Ų80.655%0.54743%0.428SS..Hα-helixtrans-63.7-19.2178.163.6164.9-178.1123.65.2113.9E53E53-R55 HydrophobicContact CB-CG 4.12Å; E53-R55 PolarHBondContact O-N 2.98Å; E53-R55 VanDerWaalsContact O-N 3.12Å; E53-R55 IonicContact OE1-NH2 3.87Å; E53-R55 IonicContact OE2-CZ 2.76Å; E53-R55 IonicContact OE2-NE 3.85Å; E53-R55 PolarHBondContact OE2-NE 3.47Å; E53-R55 IonicContact OE2-NH2 2.85Å; E53-R55 PolarHBondContact OE2-NH2 2.85Å
56H87.3Confident86.1Confident4 Ų475 Ų752%0.01941%0.407CS..Hα-helixtrans-96.3-6.6177.5-61.5166.5000112.6Y4 I8 F9 G10 E53 E54Y4-H56 AromaticContact CD1-CD2 3.28Å; Y4-H56 WeakPolarHBondContact CD1-CD2 2.97Å; Y4-H56 AromaticContact CD1-CE1 3.95Å; Y4-H56 AromaticContact CD1-CG 3.79Å; Y4-H56 AromaticContact CD1-NE2 3.37Å; Y4-H56 WeakPolarHBondContact CD1-NE2 3.47Å; Y4-H56 AromaticContact CE1-CD2 3.39Å; Y4-H56 WeakPolarHBondContact CE1-CD2 3.4Å; Y4-H56 AromaticContact CE1-NE2 3.74Å; I8-H56 HydrophobicContact CG2-CB 4.48Å; F9-H56 PolarHBondContact N-O 2.84Å; G10-H56 PolarHBondContact N-O 3.11Å; E53-H56 WeakPolarHBondContact O-CB 3.37Å; E53-H56 PolarHBondContact O-N 2.81Å; E53-H56 IonicContact OE2-CE1 3.85Å; E54-H56 PolarHBondContact O-N 2.97Å; E54-H56 VanDerWaalsContact O-N 3.15Å
57L90.1Very high84.9Confident1 Ų172.5 Ų72.51%0.00540%0.404CS..Hα-helixtrans-87.8-24.2178.4-60.2-174.8000112.9F9 G10 I37 F40 K41 A51 E53 E54F9-L57 HydrophobicContact CB-CD2 3.88Å; F9-L57 WeakPolarHBondContact CD1-O 3.38Å; G10-L57 WeakPolarHBondContact CA-O 3.18Å; G10-L57 PolarHBondContact N-O 2.74Å; I37-L57 WeakPolarHBondContact CD1-O 3.41Å; I37-L57 HydrophobicContact CG1-CB 4.43Å; I37-L57 VanDerWaalsContact CG1-O 3.32Å; I37-L57 WeakPolarHBondContact CG1-O 3.32Å; I37-L57 HydrophobicContact CG2-CB 4.19Å; I37-L57 HydrophobicContact CG2-CD1 4.34Å; F40-L57 HydrophobicContact CD1-CD2 3.78Å; F40-L57 HydrophobicContact CE1-CD2 3.54Å; K41-L57 HydrophobicContact CD-CD1 4.38Å; K41-L57 HydrophobicContact CG-CD1 4.22Å; A51-L57 HydrophobicContact CB-CD1 4.48Å; A51-L57 WeakPolarHBondContact O-CD2 3.18Å; E53-L57 PolarHBondContact O-N 3.34Å; E54-L57 PolarHBondContact O-N 3.36Å
58T90.3Very high83.6Confident23 Ų2371.9 Ų71.914%0.14140%0.404CS..  trans-107.7151.7178.5177.30000111.9G22 E33 K60G22-T58 WeakPolarHBondContact CA-OG1 3.43Å; E33-T58 WeakPolarHBondContact OE1-CA 3.44Å; E33-T58 PolarHBondContact OE2-OG1 3.24Å; T58-K60 HydrophobicContact CG2-CB 4.11Å; T58-K60 WeakPolarHBondContact OG1-CB 3.23Å; T58-K60 WeakPolarHBondContact OG1-CG 3.47Å; T58-K60 PolarHBondContact OG1-N 3.32Å
59C88.4Confident82.6Confident3 Ų369 Ų692%0.0239%0.388CS..SBendtrans-85.9-2.2168.462.80000114.7G10 F14 C20 E33 G61 M62G10-C59 WeakPolarHBondContact O-CB 3.42Å; F14-C59 HydrophobicContact CB-CB 3.64Å; F14-C59 HydrophobicContact CD2-CB 3.66Å; F14-C59 HydrophobicContact CG-CB 4.03Å; C20-C59 WeakPolarHBondContact CA-SG 3.4Å; C20-C59 HydrophobicContact CB-CB 4.08Å; C20-C59 WeakPolarHBondContact CB-SG 3.27Å; C20-C59 WeakPolarHBondContact SG-CB 3.31Å; C20-C59 CovalentContact SG-SG 2.04Å; C20-C59 PolarHBondContact SG-SG 2.83Å; E33-C59 PolarHBondContact OE1-N 2.95Å; E33-C59 PolarHBondContact OE1-SG 3.18Å; E33-C59 VanDerWaalsContact OE1-SG 3.32Å; C59-G61 VanDerWaalsContact C-N 3.25Å; C59-G61 PolarHBondContact O-N 2.95Å; C59-G61 VanDerWaalsContact O-N 3.15Å; C59-M62 HydrophobicContact CB-CE 4.32Å; C59-M62 HydrophobicContact CB-CG 4.24Å; C59-M62 HydrophobicContact CB-SD 3.89Å; C59-M62 WeakPolarHBondContact O-CB 3.36Å; C59-M62 WeakPolarHBondContact O-CG 3.17Å; C59-M62 PolarHBondContact O-N 3.34Å; C59-M62 VanDerWaalsContact O-N 3.17Å
60K86.9Confident81.6Confident134 Ų13467 Ų6758%0.58338%0.383SS*.THydrogen-bonded Turntrans-49.9-40.9179.5-89-177.8165.2165.20114.7C20 N21 T58C20-K60 HydrophobicContact CB-CG 4.42Å; C20-K60 WeakPolarHBondContact O-CE 2.93Å; C20-K60 WeakPolarHBondContact O-CG 3.04Å; N21-K60 VanDerWaalsContact C-NZ 3.33Å; N21-K60 WeakPolarHBondContact O-CE 3.48Å; N21-K60 PolarHBondContact O-NZ 2.66Å; T58-K60 HydrophobicContact CG2-CB 4.11Å; T58-K60 WeakPolarHBondContact OG1-CB 3.23Å; T58-K60 WeakPolarHBondContact OG1-CG 3.47Å; T58-K60 PolarHBondContact OG1-N 3.32Å
61G79.4Confident80.8Confident64 Ų6463.3 Ų63.366%0.6636%0.363SS*.THydrogen-bonded Turntrans-97.214.5-173.300000114.3C59C59-G61 VanDerWaalsContact C-N 3.25Å; C59-G61 PolarHBondContact O-N 2.95Å; C59-G61 VanDerWaalsContact O-N 3.15Å
62M79.4Confident80.3Confident42 Ų4265.4 Ų65.421%0.20737%0.367CS..  trans-70.9129.1-174.8-73.5-164163.700112.3P11 F14 C59 T64P11-M62 HydrophobicContact CB-CE 3.68Å; P11-M62 HydrophobicContact CG-CE 3.42Å; P11-M62 VanDerWaalsContact CG-CE 3.42Å; F14-M62 HydrophobicContact CB-SD 3.93Å; F14-M62 HydrophobicContact CD1-SD 4.08Å; F14-M62 HydrophobicContact CD2-SD 4.43Å; F14-M62 HydrophobicContact CG-SD 3.91Å; C59-M62 HydrophobicContact CB-CE 4.32Å; C59-M62 HydrophobicContact CB-CG 4.24Å; C59-M62 HydrophobicContact CB-SD 3.89Å; C59-M62 WeakPolarHBondContact O-CB 3.36Å; C59-M62 WeakPolarHBondContact O-CG 3.17Å; C59-M62 PolarHBondContact O-N 3.34Å; C59-M62 VanDerWaalsContact O-N 3.17Å; M62-T64 PolarHBondContact O-N 2.82Å
63P76.3Confident80.5Confident93 Ų9366 Ų6660%0.60436%0.359SS*.SBendtrans-71.6-16.1-17829.5-36000113.2
64T74.5Confident80.8Confident73 Ų7361.3 Ų61.345%0.44834%0.337SS..SBendtrans-131.4116.3-177.4-52.40000108.8M62 M68 I69M62-T64 PolarHBondContact O-N 2.82Å; T64-M68 HydrophobicContact CG2-CB 3.7Å; T64-I69 HydrophobicContact CG2-CG1 4.46Å
65S73.8Confident81.3Confident41 Ų4156.3 Ų56.329%0.28731%0.314SS..  trans-81.5166171.973.90000111.5D67 M68 I69S65-D67 PolarHBondContact O-N 3.29Å; S65-D67 PolarHBondContact OG-N 3.18Å; S65-M68 WeakPolarHBondContact O-CB 3.41Å; S65-M68 PolarHBondContact O-N 3.43Å; S65-M68 WeakPolarHBondContact OG-CG 3.39Å; S65-M68 PolarHBondContact OG-N 2.98Å; S65-I69 PolarHBondContact O-N 3.04Å
66L73.1Confident81.7Confident59 Ų5950.1 Ų50.131%0.30929%0.291SS..G310 helixtrans-57.9-33.3174.9-74.3-177.1000110.5F14 I15 M68 I69F14-L66 HydrophobicContact CD1-CD2 4.11Å; F14-L66 HydrophobicContact CD1-CG 4.01Å; F14-L66 HydrophobicContact CE1-CB 4.12Å; F14-L66 HydrophobicContact CE1-CD2 3.78Å; F14-L66 HydrophobicContact CE1-CG 3.43Å; F14-L66 VanDerWaalsContact CE1-CG 3.43Å; F14-L66 HydrophobicContact CZ-CB 4.21Å; F14-L66 HydrophobicContact CZ-CG 3.81Å; I15-L66 HydrophobicContact CD1-CD2 3.64Å; L66-M68 PolarHBondContact O-N 2.76Å; L66-I69 HydrophobicContact CD2-CD1 3.74Å; L66-I69 WeakPolarHBondContact O-CB 3Å; L66-I69 PolarHBondContact O-N 2.7Å; L66-I69 VanDerWaalsContact O-N 3.1Å
67D68.8Low82.2Confident103 Ų10350 Ų5055%0.55129%0.291SS*.G310 helixtrans-68.3-24.7177.2-71.6-48000114S65 I69 K72S65-D67 PolarHBondContact O-N 3.29Å; S65-D67 PolarHBondContact OG-N 3.18Å; D67-I69 VanDerWaalsContact C-N 3.31Å; D67-K72 WeakPolarHBondContact O-CE 3.36Å; D67-K72 PolarHBondContact O-NZ 3.24Å; D67-K72 IonicContact OD1-NZ 2.82Å; D67-K72 PolarHBondContact OD1-NZ 2.98Å
68M69.6Low82.5Confident123 Ų12351.6 Ų51.661%0.60630%0.299SS*.G310 helixtrans-81.6-11.9174.3-63.4176.372.300112.4T64 S65 L66 G70T64-M68 HydrophobicContact CG2-CB 3.7Å; S65-M68 WeakPolarHBondContact O-CB 3.41Å; S65-M68 PolarHBondContact O-N 3.43Å; S65-M68 WeakPolarHBondContact OG-CG 3.39Å; S65-M68 PolarHBondContact OG-N 2.98Å; L66-M68 PolarHBondContact O-N 2.76Å; M68-G70 PolarHBondContact O-N 3.35Å
69I71.5Confident82.8Confident91 Ų9156 Ų5647%0.46731%0.313SS..SBendtrans-73.498.4172.7-55.5178.3000107.8T64 S65 L66 D67T64-I69 HydrophobicContact CG2-CG1 4.46Å; S65-I69 PolarHBondContact O-N 3.04Å; L66-I69 HydrophobicContact CD2-CD1 3.74Å; L66-I69 WeakPolarHBondContact O-CB 3Å; L66-I69 PolarHBondContact O-N 2.7Å; L66-I69 VanDerWaalsContact O-N 3.1Å; D67-I69 VanDerWaalsContact C-N 3.31Å
70G71.7Confident83.1Confident37 Ų3759.2 Ų59.238%0.38134%0.336SS..THydrogen-bonded Turntrans-60.9157.217400000111.9M68 R106M68-G70 PolarHBondContact O-N 3.35Å; G70-R106 VanDerWaalsContact C-CZ 3.46Å; G70-R106 PolarHBondContact O-NH2 3.46Å
71G75.6Confident83.5Confident20 Ų2052.9 Ų52.921%0.20631%0.309CS..THydrogen-bonded Turntrans84.111.7-175.400000113.9K73 Y107G71-K73 PolarHBondContact O-N 3.24Å; G71-K73 VanDerWaalsContact O-N 3.15Å; G71-Y107 WeakPolarHBondContact CA-OH 3.2Å; G71-Y107 PolarHBondContact O-OH 2.93Å; G71-Y107 VanDerWaalsContact O-OH 3.07Å
72K80.7Confident84.2Confident68 Ų6850.5 Ų50.530%0.29628%0.281SS..  trans-73.510.6172.162173167.6161.30114.3D67 S74 D94 Y95 G96D67-K72 WeakPolarHBondContact O-CE 3.36Å; D67-K72 PolarHBondContact O-NZ 3.24Å; D67-K72 IonicContact OD1-NZ 2.82Å; D67-K72 PolarHBondContact OD1-NZ 2.98Å; K72-S74 PolarHBondContact O-N 3.29Å; K72-D94 WeakPolarHBondContact CD-O 3.2Å; K72-D94 WeakPolarHBondContact CE-O 3.38Å; K72-D94 PolarHBondContact NZ-O 2.94Å; K72-Y95 CarbonylContact O-C 3.43Å; K72-G96 WeakPolarHBondContact O-CA 3.41Å; K72-G96 PolarHBondContact O-N 2.84Å
73K91.9Very high85Confident50 Ų5056 Ų5622%0.21730%0.3CS..  trans-67.7136.2-175.3-64.7-168.8-173.2-1650110.6G71 A93 D94 Y101 E103G71-K73 PolarHBondContact O-N 3.24Å; G71-K73 VanDerWaalsContact O-N 3.15Å; K73-A93 WeakPolarHBondContact CA-O 3.25Å; K73-D94 WeakPolarHBondContact CE-OD1 3.39Å; K73-D94 IonicContact NZ-OD1 2.62Å; K73-Y101 HydrophobicContact CB-CD1 3.66Å; K73-Y101 HydrophobicContact CB-CG 4.36Å; K73-Y101 HydrophobicContact CD-CD1 3.84Å; K73-Y101 HydrophobicContact CD-CE1 4.01Å; K73-Y101 HydrophobicContact CG-CD1 4.38Å; K73-Y101 PolarHBondContact O-N 3.45Å; K73-E103 WeakPolarHBondContact CE-OE1 3.19Å; K73-E103 IonicContact NZ-OE1 2.99Å; K73-E103 PolarHBondContact NZ-OE1 3.48Å
74S94.2Very high85.8Confident1 Ų155.2 Ų55.21%0.00729%0.287CS..EExtended strand (participates in β ladder)trans-132.6151.7175.864.50000110.3K72 Q76 P92 A93 Y95 G97 I99K72-S74 PolarHBondContact O-N 3.29Å; S74-Q76 PolarHBondContact O-N 2.62Å; S74-Q76 PolarHBondContact OG-NE2 3.1Å; S74-P92 WeakPolarHBondContact O-CA 3.43Å; S74-A93 PolarHBondContact N-O 3.32Å; S74-A93 PolarHBondContact O-N 3.31Å; S74-Y95 PolarHBondContact OG-O 2.96Å; S74-G97 VanDerWaalsContact CB-N 3.29Å; S74-G97 VanDerWaalsContact OG-CA 3.28Å; S74-G97 WeakPolarHBondContact OG-CA 3.43Å; S74-G97 PolarHBondContact OG-N 3.15Å; S74-G97 VanDerWaalsContact OG-N 3.07Å; S74-I99 CarbonylContact C-O 3.08Å; S74-I99 WeakPolarHBondContact CA-O 3.47Å; S74-I99 WeakPolarHBondContact CB-O 3.27Å
75F97.1Very high86.6Confident7 Ų755.4 Ų55.43%0.03130%0.296CS..EExtended strand (participates in β ladder)trans-71126.5166.1-81.2-71.8000109.5C90 P92 I99 Y101 N115 A118 E119 C122F75-C90 HydrophobicContact CB-CB 4.45Å; F75-C90 HydrophobicContact CD1-CB 4.15Å; F75-P92 HydrophobicContact CE1-CG 4.16Å; F75-I99 HydrophobicContact CB-CB 4.41Å; F75-I99 HydrophobicContact CB-CG2 4.12Å; F75-I99 HydrophobicContact CD2-CG2 4.27Å; F75-I99 PolarHBondContact N-O 3.06Å; F75-Y101 HydrophobicContact CD2-CD2 4.33Å; F75-Y101 HydrophobicContact CE1-CD2 4.15Å; F75-Y101 AromaticContact CE2-CD2 3.65Å; F75-Y101 HydrophobicContact CE2-CD2 3.65Å; F75-Y101 HydrophobicContact CE2-CG 4.44Å; F75-Y101 AromaticContact CZ-CD2 3.56Å; F75-Y101 HydrophobicContact CZ-CD2 3.56Å; F75-Y101 HydrophobicContact CZ-CE2 4.14Å; F75-N115 HydrophobicContact CE2-CB 4.03Å; F75-N115 WeakPolarHBondContact CE2-O 3.43Å; F75-N115 HydrophobicContact CZ-CB 4.18Å; F75-A118 HydrophobicContact CD2-CB 3.82Å; F75-A118 HydrophobicContact CE2-CB 3.86Å; F75-E119 HydrophobicContact CD1-CB 4.23Å; F75-E119 HydrophobicContact CD1-CG 4.19Å; F75-E119 HydrophobicContact CE1-CB 3.75Å; F75-E119 HydrophobicContact CE1-CG 3.78Å; F75-E119 HydrophobicContact CE2-CB 4.14Å; F75-E119 HydrophobicContact CZ-CB 3.68Å; F75-E119 HydrophobicContact CZ-CG 4.21Å; F75-C122 HydrophobicContact CB-CB 3.79Å
76Q96.3Very high87.6Confident16 Ų1656 Ų568%0.07529%0.294CS..EExtended strand (participates in β ladder)trans-129.5164.1180-66.9-68-1800109.2S74 D78 C90 A91 A93 Y95 G97S74-Q76 PolarHBondContact O-N 2.62Å; S74-Q76 PolarHBondContact OG-NE2 3.1Å; Q76-D78 PolarHBondContact O-N 3.34Å; Q76-C90 CarbonylContact O-C 3.38Å; Q76-C90 WeakPolarHBondContact O-CA 3.45Å; Q76-C90 WeakPolarHBondContact O-CB 3.2Å; Q76-A91 PolarHBondContact N-O 3Å; Q76-A91 PolarHBondContact O-N 3.37Å; Q76-A93 HydrophobicContact CB-CB 3.96Å; Q76-A93 HydrophobicContact CG-CB 3.64Å; Q76-Y95 VanDerWaalsContact CD-CE2 3.48Å; Q76-Y95 HydrophobicContact CG-CE2 3.62Å; Q76-Y95 WeakPolarHBondContact CG-OH 3.32Å; Q76-G97 VanDerWaalsContact NE2-CA 3.33Å
77P96.7Very high88.6Confident2 Ų256.4 Ų56.41%0.01330%0.3CS..EExtended strand (participates in β ladder)trans-48.9132.2165.5-22.531.8000109.5W79 T82 I126 Y133 M135P77-W79 HydrophobicContact CB-CD2 4.23Å; P77-W79 HydrophobicContact CB-CE3 4.08Å; P77-W79 HydrophobicContact CB-CH2 3.97Å; P77-W79 HydrophobicContact CB-CZ2 4.11Å; P77-W79 HydrophobicContact CB-CZ3 3.95Å; P77-W79 HydrophobicContact CG-CH2 3.68Å; P77-W79 HydrophobicContact CG-CZ2 3.84Å; P77-W79 HydrophobicContact CG-CZ3 4.12Å; P77-W79 PolarHBondContact O-N 3.09Å; P77-W79 PolarHBondContact O-NE1 3.36Å; P77-T82 HydrophobicContact CB-CG2 3.81Å; P77-I126 HydrophobicContact CB-CD1 3.79Å; P77-I126 HydrophobicContact CG-CD1 3.71Å; P77-I126 HydrophobicContact CG-CG1 3.99Å; P77-Y133 VanDerWaalsContact CD-CD1 3.47Å; P77-Y133 HydrophobicContact CG-CD1 3.57Å; P77-Y133 HydrophobicContact CG-CE1 4.19Å; P77-Y133 HydrophobicContact CG-CG 3.78Å; P77-M135 HydrophobicContact CB-CE 4.44Å; P77-M135 HydrophobicContact CB-SD 3.74Å; P77-M135 HydrophobicContact CG-SD 3.55Å; P77-M135 VanDerWaalsContact CG-SD 3.55Å
78D97Very high89.9Confident33 Ų3351.9 Ų51.918%0.17628%0.276CS..  trans-69.491171.5172.118.8000108.5Q76 S80 S81 T82 K89 A91Q76-D78 PolarHBondContact O-N 3.34Å; D78-S80 PolarHBondContact O-N 2.74Å; D78-S80 WeakPolarHBondContact OD1-CB 3.22Å; D78-S80 PolarHBondContact OD1-N 2.99Å; D78-S80 VanDerWaalsContact OD1-N 3.16Å; D78-S80 PolarHBondContact OD1-OG 3.38Å; D78-S80 PolarHBondContact OD2-OG 3.23Å; D78-S81 WeakPolarHBondContact CB-OG 3.49Å; D78-S81 PolarHBondContact O-N 2.95Å; D78-S81 PolarHBondContact O-OG 3.44Å; D78-S81 VanDerWaalsContact O-OG 3.06Å; D78-S81 WeakPolarHBondContact OD2-CB 3.41Å; D78-S81 PolarHBondContact OD2-OG 3.22Å; D78-T82 WeakPolarHBondContact O-CG2 3.43Å; D78-T82 PolarHBondContact O-N 3.29Å; D78-K89 HydrophobicContact CB-CB 4.03Å; D78-K89 PolarHBondContact N-O 3.33Å; D78-A91 HydrophobicContact CB-CB 4.01Å
79W95.1Very high91.2Very high115 Ų11550.2 Ų50.244%0.43627%0.266SS..THydrogen-bonded Turntrans-57.6-20.9-177-55.4116.2000113.1P77 S81 T82 Y95 Y133 M135P77-W79 HydrophobicContact CB-CD2 4.23Å; P77-W79 HydrophobicContact CB-CE3 4.08Å; P77-W79 HydrophobicContact CB-CH2 3.97Å; P77-W79 HydrophobicContact CB-CZ2 4.11Å; P77-W79 HydrophobicContact CB-CZ3 3.95Å; P77-W79 HydrophobicContact CG-CH2 3.68Å; P77-W79 HydrophobicContact CG-CZ2 3.84Å; P77-W79 HydrophobicContact CG-CZ3 4.12Å; P77-W79 PolarHBondContact O-N 3.09Å; P77-W79 PolarHBondContact O-NE1 3.36Å; W79-S81 VanDerWaalsContact C-N 3.25Å; W79-S81 PolarHBondContact O-N 3.39Å; W79-T82 HydrophobicContact CE3-CG2 3.98Å; W79-T82 HydrophobicContact CZ3-CG2 4.42Å; W79-T82 PolarHBondContact O-OG1 3.43Å; W79-Y95 PolarHBondContact NE1-OH 2.77Å; W79-Y133 WeakPolarHBondContact CH2-O 3.28Å; W79-M135 HydrophobicContact CH2-CG 4.43Å; W79-M135 HydrophobicContact CZ3-CG 4.07Å; W79-M135 HydrophobicContact CZ3-SD 4.28Å
80S95.2Very high92.4Very high72 Ų7246.2 Ų46.250%0.50325%0.246SC..THydrogen-bonded Turntrans-75.2-13.4175.482.30000113.6D78 W83 K84D78-S80 PolarHBondContact O-N 2.74Å; D78-S80 WeakPolarHBondContact OD1-CB 3.22Å; D78-S80 PolarHBondContact OD1-N 2.99Å; D78-S80 VanDerWaalsContact OD1-N 3.16Å; D78-S80 PolarHBondContact OD1-OG 3.38Å; D78-S80 PolarHBondContact OD2-OG 3.23Å; S80-W83 PolarHBondContact O-NE1 2.66Å; S80-K84 VanDerWaalsContact O-CE 3.27Å; S80-K84 WeakPolarHBondContact O-CE 2.87Å; S80-K84 PolarHBondContact O-NZ 3.37Å; S80-K84 VanDerWaalsContact O-NZ 3.16Å
81S95.4Very high93.6Very high1 Ų145.9 Ų45.91%0.00724%0.24CC..THydrogen-bonded Turntrans-123.6-11.9179.858.50000115.1D78 W79 W83 K84 E86D78-S81 WeakPolarHBondContact CB-OG 3.49Å; D78-S81 PolarHBondContact O-N 2.95Å; D78-S81 PolarHBondContact O-OG 3.44Å; D78-S81 VanDerWaalsContact O-OG 3.06Å; D78-S81 WeakPolarHBondContact OD2-CB 3.41Å; D78-S81 PolarHBondContact OD2-OG 3.22Å; W79-S81 VanDerWaalsContact C-N 3.25Å; W79-S81 PolarHBondContact O-N 3.39Å; S81-W83 PolarHBondContact O-N 3Å; S81-W83 VanDerWaalsContact O-N 3.1Å; S81-K84 WeakPolarHBondContact O-CB 3.42Å; S81-K84 PolarHBondContact O-N 3.49Å; S81-E86 WeakPolarHBondContact CB-OE1 3.35Å
82T95.5Very high94.6Very high13 Ų1347.8 Ų47.88%0.0825%0.249CC..THydrogen-bonded Turntrans-57.2-30.7-178.754.10000114.4P77 D78 W79 K84 M135 S140 L141 C142P77-T82 HydrophobicContact CB-CG2 3.81Å; D78-T82 WeakPolarHBondContact O-CG2 3.43Å; D78-T82 PolarHBondContact O-N 3.29Å; W79-T82 HydrophobicContact CE3-CG2 3.98Å; W79-T82 HydrophobicContact CZ3-CG2 4.42Å; W79-T82 PolarHBondContact O-OG1 3.43Å; T82-K84 VanDerWaalsContact C-N 3.34Å; T82-M135 HydrophobicContact CG2-CE 3.67Å; T82-M135 HydrophobicContact CG2-SD 4.43Å; T82-S140 CarbonylContact O-C 3.54Å; T82-S140 VanDerWaalsContact O-C 3.29Å; T82-S140 VanDerWaalsContact O-CA 3.3Å; T82-S140 WeakPolarHBondContact O-CA 3.37Å; T82-L141 PolarHBondContact O-N 3.19Å; T82-C142 PolarHBondContact O-N 3.47Å; T82-C142 VanDerWaalsContact O-N 3.12Å
83W94.3Very high95.2Very high159 Ų15945.3 Ų45.360%0.60224%0.24SC*.THydrogen-bonded Turntrans-82.6-7.2178.261.9-91.8000113.8S80 S81 L141S80-W83 PolarHBondContact O-NE1 2.66Å; S81-W83 PolarHBondContact O-N 3Å; S81-W83 VanDerWaalsContact O-N 3.1Å; W83-L141 VanDerWaalsContact O-CD1 3.23Å; W83-L141 WeakPolarHBondContact O-CD1 3.46Å; W83-L141 WeakPolarHBondContact O-CG 3.04Å
84K94.7Very high95Very high76 Ų7648 Ų4833%0.3326%0.257SS..SBendtrans-90151.4-179.5-62.5174.6-173.2160.60110.5S80 S81 T82 E86 L141 C142S80-K84 VanDerWaalsContact O-CE 3.27Å; S80-K84 WeakPolarHBondContact O-CE 2.87Å; S80-K84 PolarHBondContact O-NZ 3.37Å; S80-K84 VanDerWaalsContact O-NZ 3.16Å; S81-K84 WeakPolarHBondContact O-CB 3.42Å; S81-K84 PolarHBondContact O-N 3.49Å; T82-K84 VanDerWaalsContact C-N 3.34Å; K84-E86 HydrophobicContact CB-CG 3.91Å; K84-E86 PolarHBondContact O-N 3.47Å; K84-L141 CarbonylContact O-C 3.51Å; K84-C142 PolarHBondContact O-N 3.42Å
85A91.5Very high94.6Very high77 Ų7752.6 Ų52.664%0.63628%0.275SS*.SBendtrans-78.958.1173.600000111.5I145A85-I145 VanDerWaalsContact C-CD1 3.43Å; A85-I145 HydrophobicContact CB-CD1 3.98Å; A85-I145 WeakPolarHBondContact O-CD1 3.5Å
86E92.9Very high93.9Very high54 Ų5455 Ų5525%0.25230%0.302SS..SBendtrans-135.6160.2174.863.1176.7178.200110.3S81 K84 C88 K89 C142S81-E86 WeakPolarHBondContact CB-OE1 3.35Å; K84-E86 HydrophobicContact CB-CG 3.91Å; K84-E86 PolarHBondContact O-N 3.47Å; E86-C88 PolarHBondContact O-N 2.97Å; E86-K89 IonicContact OE1-NZ 2.95Å; E86-K89 PolarHBondContact OE1-NZ 3.37Å; E86-K89 IonicContact OE2-NZ 2.75Å; E86-K89 PolarHBondContact OE2-NZ 3.1Å; E86-C142 WeakPolarHBondContact O-CA 3.48Å; E86-C142 WeakPolarHBondContact O-CB 3.36Å
87P95Very high93.4Very high67 Ų6756.1 Ų56.144%0.43532%0.317SS..  trans-55.3136.6178.6-2534.6000111.8K89 Y127 I145P87-K89 PolarHBondContact O-N 3.21Å; P87-Y127 WeakPolarHBondContact CA-OH 3.46Å; P87-I145 HydrophobicContact CG-CG2 3.92Å
88C96.1Very high93Very high7 Ų761.8 Ų61.85%0.04735%0.345CS..  trans-55.3135.5177.7-580000111.5E86 I126 Y127 C142 L143E86-C88 PolarHBondContact O-N 2.97Å; C88-I126 HydrophobicContact CB-CG2 3.95Å; C88-Y127 HydrophobicContact CB-CE2 4.03Å; C88-Y127 PolarHBondContact N-OH 3.23Å; C88-C142 VanDerWaalsContact CA-SG 3.54Å; C88-C142 HydrophobicContact CB-CB 3.9Å; C88-C142 WeakPolarHBondContact CB-SG 3.14Å; C88-C142 WeakPolarHBondContact SG-CB 3.42Å; C88-C142 PolarHBondContact SG-O 3.49Å; C88-C142 VanDerWaalsContact SG-O 3.41Å; C88-C142 CovalentContact SG-SG 2.05Å; C88-C142 PolarHBondContact SG-SG 3.49Å; C88-L143 PolarHBondContact SG-N 2.68Å
89K96.9Very high92.9Very high88 Ų8861 Ų6138%0.38334%0.341SS..  trans-114161.9177.1-66.6164-170.9161.70109.7D78 E86 P87D78-K89 HydrophobicContact CB-CB 4.03Å; D78-K89 PolarHBondContact N-O 3.33Å; E86-K89 IonicContact OE1-NZ 2.95Å; E86-K89 PolarHBondContact OE1-NZ 3.37Å; E86-K89 IonicContact OE2-NZ 2.75Å; E86-K89 PolarHBondContact OE2-NZ 3.1Å; P87-K89 PolarHBondContact O-N 3.21Å
90C97.4Very high92.8Very high8 Ų857.7 Ų57.75%0.05434%0.338CS..EExtended strand (participates in β ladder)trans-115.7147.8167.2-71.20000110.6F75 Q76 E119 C122 V123 I126F75-C90 HydrophobicContact CB-CB 4.45Å; F75-C90 HydrophobicContact CD1-CB 4.15Å; Q76-C90 CarbonylContact O-C 3.38Å; Q76-C90 WeakPolarHBondContact O-CA 3.45Å; Q76-C90 WeakPolarHBondContact O-CB 3.2Å; C90-E119 HydrophobicContact CB-CG 4.34Å; C90-C122 HydrophobicContact CB-CB 3.69Å; C90-C122 WeakPolarHBondContact CB-SG 3.27Å; C90-C122 WeakPolarHBondContact SG-CB 3.39Å; C90-C122 CovalentContact SG-SG 2.03Å; C90-C122 PolarHBondContact SG-SG 2.7Å; C90-V123 HydrophobicContact CB-CG2 4.33Å; C90-V123 PolarHBondContact SG-N 2.73Å; C90-V123 VanDerWaalsContact SG-N 3.37Å; C90-I126 WeakPolarHBondContact SG-CD1 3.41Å
91A97.3Very high92.9Very high30 Ų3056.3 Ų56.325%0.24832%0.322CS..EExtended strand (participates in β ladder)trans-135.8154.4174.400000109.9Q76 D78 A93Q76-A91 PolarHBondContact N-O 3Å; Q76-A91 PolarHBondContact O-N 3.37Å; D78-A91 HydrophobicContact CB-CB 4.01Å; A91-A93 PolarHBondContact O-N 2.71Å
92P96Very high92.8Very high60 Ų6058.8 Ų58.839%0.3933%0.332SS..EExtended strand (participates in β ladder)trans-62.7130.7169.9-20.733.9000110.6S74 F75 Y101S74-P92 WeakPolarHBondContact O-CA 3.43Å; F75-P92 HydrophobicContact CE1-CG 4.16Å; P92-Y101 HydrophobicContact CB-CD1 3.71Å; P92-Y101 HydrophobicContact CB-CD2 4Å; P92-Y101 HydrophobicContact CB-CE1 3.9Å; P92-Y101 HydrophobicContact CB-CE2 4.19Å; P92-Y101 HydrophobicContact CB-CG 3.73Å; P92-Y101 HydrophobicContact CG-CD1 4.09Å; P92-Y101 HydrophobicContact CG-CD2 3.55Å; P92-Y101 HydrophobicContact CG-CE1 4Å; P92-Y101 HydrophobicContact CG-CE2 3.46Å; P92-Y101 VanDerWaalsContact CG-CE2 3.46Å; P92-Y101 HydrophobicContact CG-CG 3.84Å
93A93.5Very high92.8Very high15 Ų1560.8 Ų60.812%0.12434%0.34CS..EExtended strand (participates in β ladder)trans-117.4150.7172.400000110.7K73 S74 Q76 A91 Y95K73-A93 WeakPolarHBondContact CA-O 3.25Å; S74-A93 PolarHBondContact N-O 3.32Å; S74-A93 PolarHBondContact O-N 3.31Å; Q76-A93 HydrophobicContact CB-CB 3.96Å; Q76-A93 HydrophobicContact CG-CB 3.64Å; A91-A93 PolarHBondContact O-N 2.71Å; A93-Y95 HydrophobicContact CB-CD1 3.78Å; A93-Y95 HydrophobicContact CB-CE1 3.43Å; A93-Y95 VanDerWaalsContact CB-CE1 3.43Å; A93-Y95 HydrophobicContact CB-CE2 4.48Å; A93-Y95 HydrophobicContact CB-CG 4.45Å; A93-Y95 PolarHBondContact O-N 2.04Å
94D88.1Confident92.8Very high108 Ų10857 Ų5758%0.57834%0.336SS*.SBendtrans-79.822.8-176.5-65.8-48.4000114.3K72 K73K72-D94 WeakPolarHBondContact CD-O 3.2Å; K72-D94 WeakPolarHBondContact CE-O 3.38Å; K72-D94 PolarHBondContact NZ-O 2.94Å; K73-D94 WeakPolarHBondContact CE-OD1 3.39Å; K73-D94 IonicContact NZ-OD1 2.62Å
95Y84.2Confident92.7Very high97 Ų9757.6 Ų57.638%0.3836%0.364SS..SBendtrans-133.715417760.9-95.6000111.3K72 S74 Q76 W79 A93K72-Y95 CarbonylContact O-C 3.43Å; S74-Y95 PolarHBondContact OG-O 2.96Å; Q76-Y95 VanDerWaalsContact CD-CE2 3.48Å; Q76-Y95 HydrophobicContact CG-CE2 3.62Å; Q76-Y95 WeakPolarHBondContact CG-OH 3.32Å; W79-Y95 PolarHBondContact NE1-OH 2.77Å; A93-Y95 HydrophobicContact CB-CD1 3.78Å; A93-Y95 HydrophobicContact CB-CE1 3.43Å; A93-Y95 VanDerWaalsContact CB-CE1 3.43Å; A93-Y95 HydrophobicContact CB-CE2 4.48Å; A93-Y95 HydrophobicContact CB-CG 4.45Å; A93-Y95 PolarHBondContact O-N 2.04Å
96G82.3Confident92.7Very high58 Ų5860.5 Ų60.560%0.59836%0.358SS*.  trans-65.4140.8-177.600000112.1K72K72-G96 WeakPolarHBondContact O-CA 3.41Å; K72-G96 PolarHBondContact O-N 2.84Å
97G87Confident92.7Very high38 Ų3861.1 Ų61.139%0.39236%0.359SS..  trans-153.9175.7-177.900000111.6S74 Q76 I99S74-G97 VanDerWaalsContact CB-N 3.29Å; S74-G97 VanDerWaalsContact OG-CA 3.28Å; S74-G97 WeakPolarHBondContact OG-CA 3.43Å; S74-G97 PolarHBondContact OG-N 3.15Å; S74-G97 VanDerWaalsContact OG-N 3.07Å; Q76-G97 VanDerWaalsContact NE2-CA 3.33Å; G97-I99 PolarHBondContact O-N 3.04Å
98M87.6Confident92.7Very high122 Ų12261.3 Ų61.360%0.60136%0.36SS*.SBendtrans-66.2-24.9-172.7-167.9174.265.600113.6T125 M132M98-T125 HydrophobicContact CE-CG2 3.94Å; M98-M132 HydrophobicContact CE-CE 3.34Å; M98-M132 HydrophobicContact CE-SD 3.74Å; M98-M132 HydrophobicContact SD-CE 4.25Å; M98-M132 HydrophobicContact SD-SD 3.85Å
99I94.4Very high92.8Very high17 Ų1767.6 Ų67.69%0.08739%0.393CS..SBendtrans-121.3110.4-175.2-61.5171.2000108.2S74 F75 G97 A118 R121 C122 T125S74-I99 CarbonylContact C-O 3.08Å; S74-I99 WeakPolarHBondContact CA-O 3.47Å; S74-I99 WeakPolarHBondContact CB-O 3.27Å; F75-I99 HydrophobicContact CB-CB 4.41Å; F75-I99 HydrophobicContact CB-CG2 4.12Å; F75-I99 HydrophobicContact CD2-CG2 4.27Å; F75-I99 PolarHBondContact N-O 3.06Å; G97-I99 PolarHBondContact O-N 3.04Å; I99-A118 HydrophobicContact CG2-CB 3.69Å; I99-A118 WeakPolarHBondContact CG2-O 3.44Å; I99-R121 HydrophobicContact CD1-CB 4.35Å; I99-R121 HydrophobicContact CD1-CG 4.04Å; I99-C122 HydrophobicContact CD1-CB 3.7Å; I99-T125 HydrophobicContact CD1-CG2 4.39Å
100A93.7Very high92.8Very high45 Ų4572 Ų7237%0.37241%0.407SS..BIsolated β-bridgetrans-62.9145-178.800000112Y102A100-Y102 HydrophobicContact CB-CE1 4.38Å; A100-Y102 HydrophobicContact CB-CE2 4.31Å
101Y96.4Very high92.7Very high42 Ų4274.7 Ų74.717%0.16542%0.418CS..  trans-111.9121.1163.8170-99.9000108.9K73 F75 P92 E103 P104K73-Y101 HydrophobicContact CB-CD1 3.66Å; K73-Y101 HydrophobicContact CB-CG 4.36Å; K73-Y101 HydrophobicContact CD-CD1 3.84Å; K73-Y101 HydrophobicContact CD-CE1 4.01Å; K73-Y101 HydrophobicContact CG-CD1 4.38Å; K73-Y101 PolarHBondContact O-N 3.45Å; F75-Y101 HydrophobicContact CD2-CD2 4.33Å; F75-Y101 HydrophobicContact CE1-CD2 4.15Å; F75-Y101 AromaticContact CE2-CD2 3.65Å; F75-Y101 HydrophobicContact CE2-CD2 3.65Å; F75-Y101 HydrophobicContact CE2-CG 4.44Å; F75-Y101 AromaticContact CZ-CD2 3.56Å; F75-Y101 HydrophobicContact CZ-CD2 3.56Å; F75-Y101 HydrophobicContact CZ-CE2 4.14Å; P92-Y101 HydrophobicContact CB-CD1 3.71Å; P92-Y101 HydrophobicContact CB-CD2 4Å; P92-Y101 HydrophobicContact CB-CE1 3.9Å; P92-Y101 HydrophobicContact CB-CE2 4.19Å; P92-Y101 HydrophobicContact CB-CG 3.73Å; P92-Y101 HydrophobicContact CG-CD1 4.09Å; P92-Y101 HydrophobicContact CG-CD2 3.55Å; P92-Y101 HydrophobicContact CG-CE1 4Å; P92-Y101 HydrophobicContact CG-CE2 3.46Å; P92-Y101 VanDerWaalsContact CG-CE2 3.46Å; P92-Y101 HydrophobicContact CG-CG 3.84Å; Y101-E103 HydrophobicContact CD1-CB 4.4Å; Y101-E103 HydrophobicContact CE1-CB 3.95Å; Y101-E103 HydrophobicContact CE1-CG 4.45Å; Y101-E103 PolarHBondContact O-N 3.07Å; Y101-P104 WeakPolarHBondContact OH-CD 3.45Å
102Y95.1Very high92.7Very high53 Ų5374.8 Ų74.821%0.20842%0.416CS..  trans-91.399.2179.4-60.1-73000110A100 P104 Y107 F111 M114 N115A100-Y102 HydrophobicContact CB-CE1 4.38Å; A100-Y102 HydrophobicContact CB-CE2 4.31Å; Y102-P104 WeakPolarHBondContact O-CD 3.22Å; Y102-Y107 AromaticContact CD1-CD1 3.78Å; Y102-Y107 HydrophobicContact CD1-CD1 3.78Å; Y102-Y107 HydrophobicContact CD1-CD2 4.23Å; Y102-Y107 HydrophobicContact CD1-CE1 4.06Å; Y102-Y107 HydrophobicContact CD1-CE2 4.48Å; Y102-Y107 AromaticContact CD1-CG 3.86Å; Y102-Y107 HydrophobicContact CD1-CG 3.86Å; Y102-Y107 HydrophobicContact CE1-CD1 4.44Å; Y102-Y107 HydrophobicContact CG-CG 4.49Å; Y102-F111 HydrophobicContact CD1-CB 3.72Å; Y102-F111 HydrophobicContact CD1-CG 4.34Å; Y102-F111 HydrophobicContact CD2-CB 4.05Å; Y102-F111 WeakPolarHBondContact CD2-O 3.05Å; Y102-F111 HydrophobicContact CE1-CB 4.08Å; Y102-F111 HydrophobicContact CE1-CG 4.28Å; Y102-F111 HydrophobicContact CE2-CB 4.37Å; Y102-F111 HydrophobicContact CG-CB 3.69Å; Y102-M114 HydrophobicContact CD2-CB 4.34Å; Y102-M114 HydrophobicContact CE2-CB 4.2Å; Y102-M114 HydrophobicContact CE2-SD 4.31Å; Y102-N115 PolarHBondContact N-OD1 3.43Å; Y102-N115 PolarHBondContact O-ND2 2.91Å
103E93.9Very high92.8Very high55 Ų5575.5 Ų75.526%0.25743%0.427SS..  trans-60.1124-178.5-177166.7-126.400112.6K73 Y101 G105 R106 Y107K73-E103 WeakPolarHBondContact CE-OE1 3.19Å; K73-E103 IonicContact NZ-OE1 2.99Å; K73-E103 PolarHBondContact NZ-OE1 3.48Å; Y101-E103 HydrophobicContact CD1-CB 4.4Å; Y101-E103 HydrophobicContact CE1-CB 3.95Å; Y101-E103 HydrophobicContact CE1-CG 4.45Å; Y101-E103 PolarHBondContact O-N 3.07Å; E103-G105 PolarHBondContact O-N 2.76Å; E103-R106 HydrophobicContact CB-CB 4.12Å; E103-R106 HydrophobicContact CG-CB 4.4Å; E103-R106 PolarHBondContact O-N 3.34Å; E103-R106 VanDerWaalsContact O-N 3.07Å; E103-Y107 HydrophobicContact CB-CD2 4.47Å; E103-Y107 PolarHBondContact O-N 2.95Å
104P94.4Very high93Very high79 Ų7978.9 Ų78.951%0.51344%0.441SS..THydrogen-bonded Turntrans-55.1136.5172.9-24.433.2000111.7Y101 Y102 R106 V112Y101-P104 WeakPolarHBondContact OH-CD 3.45Å; Y102-P104 WeakPolarHBondContact O-CD 3.22Å; P104-R106 PolarHBondContact O-N 2.82Å; P104-V112 HydrophobicContact CB-CG1 4.38Å; P104-V112 HydrophobicContact CG-CG1 3.92Å
105G92.9Very high93.5Very high89 Ų8974.5 Ų74.592%0.91842%0.418SS*.THydrogen-bonded Turntrans82.3-12.1-176.300000114.9E103E103-G105 PolarHBondContact O-N 2.76Å
106R91.4Very high94.1Very high139 Ų13975.8 Ų75.853%0.52543%0.427SS..THydrogen-bonded Turntrans-102.6-39.2172.6-171.5177.1-173.590.23.5112.8G70 E103 P104G70-R106 VanDerWaalsContact C-CZ 3.46Å; G70-R106 PolarHBondContact O-NH2 3.46Å; E103-R106 HydrophobicContact CB-CB 4.12Å; E103-R106 HydrophobicContact CG-CB 4.4Å; E103-R106 PolarHBondContact O-N 3.34Å; E103-R106 VanDerWaalsContact O-N 3.07Å; P104-R106 PolarHBondContact O-N 2.82Å
107Y93.1Very high94.8Very high66 Ų6680 Ų8026%0.25943%0.431SS..SBendtrans-109.9151.9-177.8-67.3-88.8000111.8G71 Y102 E103 F111G71-Y107 WeakPolarHBondContact CA-OH 3.2Å; G71-Y107 PolarHBondContact O-OH 2.93Å; G71-Y107 VanDerWaalsContact O-OH 3.07Å; Y102-Y107 AromaticContact CD1-CD1 3.78Å; Y102-Y107 HydrophobicContact CD1-CD1 3.78Å; Y102-Y107 HydrophobicContact CD1-CD2 4.23Å; Y102-Y107 HydrophobicContact CD1-CE1 4.06Å; Y102-Y107 HydrophobicContact CD1-CE2 4.48Å; Y102-Y107 AromaticContact CD1-CG 3.86Å; Y102-Y107 HydrophobicContact CD1-CG 3.86Å; Y102-Y107 HydrophobicContact CE1-CD1 4.44Å; Y102-Y107 HydrophobicContact CG-CG 4.49Å; E103-Y107 HydrophobicContact CB-CD2 4.47Å; E103-Y107 PolarHBondContact O-N 2.95Å; Y107-F111 HydrophobicContact CD1-CD2 4.35Å
108P96.1Very high95.3Very high72 Ų7278.9 Ų78.947%0.46842%0.418SS..  trans-50.6143.6168.9-29.133000113.2R110 F111 V112P108-R110 HydrophobicContact CB-CG 4.05Å; P108-R110 PolarHBondContact O-N 3.3Å; P108-F111 HydrophobicContact CB-CD2 4.29Å; P108-F111 HydrophobicContact CG-CD2 4.14Å; P108-F111 HydrophobicContact CG-CE2 4.34Å; P108-F111 WeakPolarHBondContact O-CB 3.36Å; P108-F111 PolarHBondContact O-N 2.84Å; P108-V112 PolarHBondContact O-N 2.98Å
109D96.9Very high95.7Very high139 Ų13977.1 Ų77.174%0.74341%0.409SS*.Hα-helixtrans-53-35-177.3-63.7-18.9000113.3F111 V112 A113D109-F111 PolarHBondContact O-N 3.36Å; D109-V112 PolarHBondContact O-N 3.35Å; D109-A113 WeakPolarHBondContact O-CB 3.35Å; D109-A113 PolarHBondContact O-N 3.26Å
110R97.1Very high95.9Very high180 Ų18081.8 Ų81.868%0.67943%0.429SS*.Hα-helixtrans-57.8-31.5175.667.9176.8-175.9173.3-1.4113.6P108 M114P108-R110 HydrophobicContact CB-CG 4.05Å; P108-R110 PolarHBondContact O-N 3.3Å; R110-M114 WeakPolarHBondContact O-CG 3.37Å
111F96.3Very high96Very high64 Ų6487.5 Ų87.528%0.28144%0.44SS..Hα-helixtrans-85.6-40.2176.4-65.7-39.8000110.9Y102 Y107 P108 D109 A113 M114Y102-F111 HydrophobicContact CD1-CB 3.72Å; Y102-F111 HydrophobicContact CD1-CG 4.34Å; Y102-F111 HydrophobicContact CD2-CB 4.05Å; Y102-F111 WeakPolarHBondContact CD2-O 3.05Å; Y102-F111 HydrophobicContact CE1-CB 4.08Å; Y102-F111 HydrophobicContact CE1-CG 4.28Å; Y102-F111 HydrophobicContact CE2-CB 4.37Å; Y102-F111 HydrophobicContact CG-CB 3.69Å; Y107-F111 HydrophobicContact CD1-CD2 4.35Å; P108-F111 HydrophobicContact CB-CD2 4.29Å; P108-F111 HydrophobicContact CG-CD2 4.14Å; P108-F111 HydrophobicContact CG-CE2 4.34Å; P108-F111 WeakPolarHBondContact O-CB 3.36Å; P108-F111 PolarHBondContact O-N 2.84Å; D109-F111 PolarHBondContact O-N 3.36Å; F111-A113 PolarHBondContact O-N 3.05Å; F111-M114 HydrophobicContact CD1-SD 3.87Å; F111-M114 WeakPolarHBondContact O-CA 3.24Å; F111-M114 VanDerWaalsContact O-CB 3.24Å; F111-M114 WeakPolarHBondContact O-CB 3.49Å; F111-M114 PolarHBondContact O-N 3.33Å
112V97.2Very high96Very high32 Ų3285.5 Ų85.519%0.19443%0.432CS..Hα-helixtrans-57.6-39.4174.4-178.10000110.9P104 P108 D109 M114 N115P104-V112 HydrophobicContact CB-CG1 4.38Å; P104-V112 HydrophobicContact CG-CG1 3.92Å; P108-V112 PolarHBondContact O-N 2.98Å; D109-V112 PolarHBondContact O-N 3.35Å; V112-M114 PolarHBondContact O-N 2.82Å; V112-N115 VanDerWaalsContact O-CB 3.23Å; V112-N115 WeakPolarHBondContact O-CB 3.1Å; V112-N115 PolarHBondContact O-N 3.21Å; V112-N115 PolarHBondContact O-ND2 3.3Å
113A97.5Very high96.1Very high76 Ų7684.8 Ų84.863%0.62843%0.434SS*.THydrogen-bonded Turntrans-60.9-22.1174.500000113.7D109 F111 N115D109-A113 WeakPolarHBondContact O-CB 3.35Å; D109-A113 PolarHBondContact O-N 3.26Å; F111-A113 PolarHBondContact O-N 3.05Å; A113-N115 VanDerWaalsContact C-N 3.28Å; A113-N115 PolarHBondContact O-N 2.93Å
114M97.3Very high96.2Very high85 Ų8586.8 Ų86.842%0.41944%0.443SS..THydrogen-bonded Turntrans-76.3-14.6175.6-58.7173.16300112.8Y102 R110 F111 V112 E116 Q117 A118Y102-M114 HydrophobicContact CD2-CB 4.34Å; Y102-M114 HydrophobicContact CE2-CB 4.2Å; Y102-M114 HydrophobicContact CE2-SD 4.31Å; R110-M114 WeakPolarHBondContact O-CG 3.37Å; F111-M114 HydrophobicContact CD1-SD 3.87Å; F111-M114 WeakPolarHBondContact O-CA 3.24Å; F111-M114 VanDerWaalsContact O-CB 3.24Å; F111-M114 WeakPolarHBondContact O-CB 3.49Å; F111-M114 PolarHBondContact O-N 3.33Å; V112-M114 PolarHBondContact O-N 2.82Å; M114-E116 VanDerWaalsContact C-N 3.26Å; M114-E116 PolarHBondContact O-N 3.17Å; M114-Q117 PolarHBondContact O-N 2.82Å; M114-A118 WeakPolarHBondContact O-CB 3.31Å; M114-A118 PolarHBondContact O-N 3.23Å
115N97.7Very high96.2Very high16 Ų1684 Ų849%0.08643%0.425CS..Hα-helixtrans-59.7-36-177.8-74.8-22.9000112.6F75 Y102 V112 A113 Q117 A118 E119F75-N115 HydrophobicContact CE2-CB 4.03Å; F75-N115 WeakPolarHBondContact CE2-O 3.43Å; F75-N115 HydrophobicContact CZ-CB 4.18Å; Y102-N115 PolarHBondContact N-OD1 3.43Å; Y102-N115 PolarHBondContact O-ND2 2.91Å; V112-N115 VanDerWaalsContact O-CB 3.23Å; V112-N115 WeakPolarHBondContact O-CB 3.1Å; V112-N115 PolarHBondContact O-N 3.21Å; V112-N115 PolarHBondContact O-ND2 3.3Å; A113-N115 VanDerWaalsContact C-N 3.28Å; A113-N115 PolarHBondContact O-N 2.93Å; N115-Q117 PolarHBondContact O-N 3.19Å; N115-A118 PolarHBondContact O-N 2.93Å; N115-E119 WeakPolarHBondContact O-CB 3.41Å; N115-E119 PolarHBondContact O-N 3.4Å
116E96.8Very high96.4Very high125 Ų12579.8 Ų79.858%0.58438%0.381SS*.Hα-helixtrans-62.2-43.8179.5-167.5-163.715200111.6M114 K120M114-E116 VanDerWaalsContact C-N 3.26Å; M114-E116 PolarHBondContact O-N 3.17Å; E116-K120 WeakPolarHBondContact O-CG 3.44Å; E116-K120 PolarHBondContact O-N 3.2Å; E116-K120 IonicContact OE1-NZ 2.66Å; E116-K120 PolarHBondContact OE1-NZ 2.97Å
117Q97.4Very high96.5Very high145 Ų14576.4 Ų76.468%0.67837%0.369SS*.Hα-helixtrans-71.2-36.7176.3-170.1179.726.100111.5M114 N115 R121M114-Q117 PolarHBondContact O-N 2.82Å; N115-Q117 PolarHBondContact O-N 3.19Å; Q117-R121 WeakPolarHBondContact O-CB 3.49Å; Q117-R121 PolarHBondContact O-N 3.26Å
118A97.2Very high96.6Very high15 Ų1582.5 Ų82.512%0.12439%0.391CS..Hα-helixtrans-63.7-4417800000111.8F75 I99 M114 N115 R121 C122F75-A118 HydrophobicContact CD2-CB 3.82Å; F75-A118 HydrophobicContact CE2-CB 3.86Å; I99-A118 HydrophobicContact CG2-CB 3.69Å; I99-A118 WeakPolarHBondContact CG2-O 3.44Å; M114-A118 WeakPolarHBondContact O-CB 3.31Å; M114-A118 PolarHBondContact O-N 3.23Å; N115-A118 PolarHBondContact O-N 2.93Å; A118-R121 PolarHBondContact O-N 2.9Å; A118-C122 PolarHBondContact O-N 2.93Å
119E97.4Very high96.5Very high86 Ų8682.5 Ų82.540%0.40239%0.387SS..Hα-helixtrans-60.3-48.5176.4-170.6-179.6172.900111.4F75 C90 N115 R121 C122 V123F75-E119 HydrophobicContact CD1-CB 4.23Å; F75-E119 HydrophobicContact CD1-CG 4.19Å; F75-E119 HydrophobicContact CE1-CB 3.75Å; F75-E119 HydrophobicContact CE1-CG 3.78Å; F75-E119 HydrophobicContact CE2-CB 4.14Å; F75-E119 HydrophobicContact CZ-CB 3.68Å; F75-E119 HydrophobicContact CZ-CG 4.21Å; C90-E119 HydrophobicContact CB-CG 4.34Å; N115-E119 WeakPolarHBondContact O-CB 3.41Å; N115-E119 PolarHBondContact O-N 3.4Å; E119-R121 VanDerWaalsContact C-N 3.28Å; E119-R121 PolarHBondContact O-N 3.5Å; E119-C122 WeakPolarHBondContact O-CB 3.41Å; E119-C122 PolarHBondContact O-N 2.87Å; E119-C122 VanDerWaalsContact O-N 3.08Å; E119-V123 PolarHBondContact O-N 3.05Å
120K97.1Very high96.4Very high115 Ų11577.7 Ų77.750%0.536%0.364SS..Hα-helixtrans-58.4-41.5174.9-69.7173-170168.90111.5E116 C122 V123 Q124E116-K120 WeakPolarHBondContact O-CG 3.44Å; E116-K120 PolarHBondContact O-N 3.2Å; E116-K120 IonicContact OE1-NZ 2.66Å; E116-K120 PolarHBondContact OE1-NZ 2.97Å; K120-C122 VanDerWaalsContact C-N 3.32Å; K120-V123 PolarHBondContact O-N 3.17Å; K120-Q124 VanDerWaalsContact O-CG 3.32Å; K120-Q124 WeakPolarHBondContact O-CG 3.38Å; K120-Q124 PolarHBondContact O-N 3.01Å
121R96.6Very high96.3Very high164 Ų16473.4 Ų73.462%0.61936%0.361SS*.Hα-helixtrans-65.5-36.6177-174.9152.5179.6155-3.5111.8I99 Q117 A118 E119 Q124 T125I99-R121 HydrophobicContact CD1-CB 4.35Å; I99-R121 HydrophobicContact CD1-CG 4.04Å; Q117-R121 WeakPolarHBondContact O-CB 3.49Å; Q117-R121 PolarHBondContact O-N 3.26Å; A118-R121 PolarHBondContact O-N 2.9Å; E119-R121 VanDerWaalsContact C-N 3.28Å; E119-R121 PolarHBondContact O-N 3.5Å; R121-Q124 WeakPolarHBondContact O-CB 3.49Å; R121-Q124 PolarHBondContact O-N 2.95Å; R121-T125 HydrophobicContact CG-CG2 4.49Å; R121-T125 WeakPolarHBondContact O-CG2 3.5Å; R121-T125 PolarHBondContact O-N 3.07Å; R121-T125 PolarHBondContact O-OG1 3.48Å; R121-T125 VanDerWaalsContact O-OG1 3.1Å
122C97.3Very high96.1Very high0 Ų074.3 Ų74.30%037%0.367CS..Hα-helixtrans-63.1-46.2175.41740000111.7F75 C90 I99 A118 E119 K120 Q124 T125 I126F75-C122 HydrophobicContact CB-CB 3.79Å; C90-C122 HydrophobicContact CB-CB 3.69Å; C90-C122 WeakPolarHBondContact CB-SG 3.27Å; C90-C122 WeakPolarHBondContact SG-CB 3.39Å; C90-C122 CovalentContact SG-SG 2.03Å; C90-C122 PolarHBondContact SG-SG 2.7Å; I99-C122 HydrophobicContact CD1-CB 3.7Å; A118-C122 PolarHBondContact O-N 2.93Å; E119-C122 WeakPolarHBondContact O-CB 3.41Å; E119-C122 PolarHBondContact O-N 2.87Å; E119-C122 VanDerWaalsContact O-N 3.08Å; K120-C122 VanDerWaalsContact C-N 3.32Å; C122-Q124 VanDerWaalsContact C-N 3.3Å; C122-Q124 PolarHBondContact O-N 3.35Å; C122-T125 WeakPolarHBondContact CA-OG1 3.47Å; C122-T125 PolarHBondContact O-N 3.15Å; C122-T125 PolarHBondContact O-OG1 2.76Å; C122-I126 WeakPolarHBondContact O-CG1 3.48Å; C122-I126 PolarHBondContact O-N 3.04Å
123V96.6Very high96Very high39 Ų3974.2 Ų74.224%0.23636%0.364CS..Hα-helixtrans-60.7-43.3175.2176.50000110.6C90 E119 K120 T125 I126 Y127C90-V123 HydrophobicContact CB-CG2 4.33Å; C90-V123 PolarHBondContact SG-N 2.73Å; C90-V123 VanDerWaalsContact SG-N 3.37Å; E119-V123 PolarHBondContact O-N 3.05Å; K120-V123 PolarHBondContact O-N 3.17Å; V123-T125 VanDerWaalsContact C-N 3.34Å; V123-T125 PolarHBondContact O-N 3.27Å; V123-I126 PolarHBondContact O-N 3.49Å; V123-Y127 HydrophobicContact CG1-CD2 3.99Å; V123-Y127 HydrophobicContact CG1-CE2 3.73Å; V123-Y127 VanDerWaalsContact O-CD2 3.28Å; V123-Y127 WeakPolarHBondContact O-CD2 3.34Å; V123-Y127 PolarHBondContact O-N 3.15Å
124Q95.7Very high95.8Very high97 Ų9773.8 Ų73.845%0.45337%0.366SS..Hα-helixtrans-60.2-40.6176.7-72.8174.76.600113K120 R121 C122 R128K120-Q124 VanDerWaalsContact O-CG 3.32Å; K120-Q124 WeakPolarHBondContact O-CG 3.38Å; K120-Q124 PolarHBondContact O-N 3.01Å; R121-Q124 WeakPolarHBondContact O-CB 3.49Å; R121-Q124 PolarHBondContact O-N 2.95Å; C122-Q124 VanDerWaalsContact C-N 3.3Å; C122-Q124 PolarHBondContact O-N 3.35Å; Q124-R128 WeakPolarHBondContact O-CB 3.48Å; Q124-R128 VanDerWaalsContact O-CG 3.23Å; Q124-R128 WeakPolarHBondContact O-CG 3.48Å; Q124-R128 PolarHBondContact O-N 3.37Å
125T95.2Very high95.6Very high20 Ų2070.1 Ų70.112%0.12335%0.348CS..Hα-helixtrans-71.8-33.7-179.847.60000112.3M98 I99 R121 C122 V123 R128 N129 Y133M98-T125 HydrophobicContact CE-CG2 3.94Å; I99-T125 HydrophobicContact CD1-CG2 4.39Å; R121-T125 HydrophobicContact CG-CG2 4.49Å; R121-T125 WeakPolarHBondContact O-CG2 3.5Å; R121-T125 PolarHBondContact O-N 3.07Å; R121-T125 PolarHBondContact O-OG1 3.48Å; R121-T125 VanDerWaalsContact O-OG1 3.1Å; C122-T125 WeakPolarHBondContact CA-OG1 3.47Å; C122-T125 PolarHBondContact O-N 3.15Å; C122-T125 PolarHBondContact O-OG1 2.76Å; V123-T125 VanDerWaalsContact C-N 3.34Å; V123-T125 PolarHBondContact O-N 3.27Å; T125-R128 PolarHBondContact O-N 2.8Å; T125-N129 CarbonylContact O-C 3.45Å; T125-N129 PolarHBondContact O-N 2.99Å; T125-Y133 WeakPolarHBondContact CB-OH 3.39Å; T125-Y133 PolarHBondContact OG1-OH 3.43Å
126I95.7Very high95.5Very high1 Ų171.4 Ų71.41%0.00536%0.359CS..Hα-helixtrans-56.7-50.2172.4-70.7172.1000110.7P77 C88 C90 C122 V123 P130 Y133 M135 L143P77-I126 HydrophobicContact CB-CD1 3.79Å; P77-I126 HydrophobicContact CG-CD1 3.71Å; P77-I126 HydrophobicContact CG-CG1 3.99Å; C88-I126 HydrophobicContact CB-CG2 3.95Å; C90-I126 WeakPolarHBondContact SG-CD1 3.41Å; C122-I126 WeakPolarHBondContact O-CG1 3.48Å; C122-I126 PolarHBondContact O-N 3.04Å; V123-I126 PolarHBondContact O-N 3.49Å; I126-P130 VanDerWaalsContact O-CA 3.23Å; I126-P130 WeakPolarHBondContact O-CA 3.14Å; I126-P130 WeakPolarHBondContact O-CB 3.49Å; I126-P130 VanDerWaalsContact O-CD 3.32Å; I126-P130 WeakPolarHBondContact O-CD 3.45Å; I126-P130 VanDerWaalsContact O-N 3.1Å; I126-Y133 HydrophobicContact CB-CE2 4.44Å; I126-Y133 HydrophobicContact CG1-CD2 4.03Å; I126-Y133 HydrophobicContact CG1-CE2 3.8Å; I126-M135 HydrophobicContact CG2-CE 3.94Å; I126-M135 HydrophobicContact CG2-SD 4.04Å; I126-L143 HydrophobicContact CG2-CD2 3.73Å
127Y95Very high95.2Very high67 Ų6767 Ų6726%0.26335%0.347SS..Hα-helixtrans-73.3-33.5-179.8-72.4-72.6000113.6P87 C88 V123 C142 L143 N146P87-Y127 WeakPolarHBondContact CA-OH 3.46Å; C88-Y127 HydrophobicContact CB-CE2 4.03Å; C88-Y127 PolarHBondContact N-OH 3.23Å; V123-Y127 HydrophobicContact CG1-CD2 3.99Å; V123-Y127 HydrophobicContact CG1-CE2 3.73Å; V123-Y127 VanDerWaalsContact O-CD2 3.28Å; V123-Y127 WeakPolarHBondContact O-CD2 3.34Å; V123-Y127 PolarHBondContact O-N 3.15Å; Y127-C142 PolarHBondContact OH-O 3.47Å; Y127-L143 HydrophobicContact CD1-CD2 4.18Å; Y127-L143 HydrophobicContact CE1-CD2 4.41Å; Y127-N146 HydrophobicContact CE1-CB 4.18Å; Y127-N146 PolarHBondContact OH-ND2 2.62Å
128R94.9Very high94.9Very high195 Ų19565.3 Ų65.374%0.73635%0.351SS*.Hα-helixtrans-74.7-33.4-179.5-76.1177.5-179.6-175.11.6113.1Q124 T125Q124-R128 WeakPolarHBondContact O-CB 3.48Å; Q124-R128 VanDerWaalsContact O-CG 3.23Å; Q124-R128 WeakPolarHBondContact O-CG 3.48Å; Q124-R128 PolarHBondContact O-N 3.37Å; T125-R128 PolarHBondContact O-N 2.8Å
129N94.5Very high94.7Very high72 Ų7268.7 Ų68.739%0.38537%0.371SS..  trans-150.673.2-178.2-170.10000111T125 S131 M132T125-N129 CarbonylContact O-C 3.45Å; T125-N129 PolarHBondContact O-N 2.99Å; N129-S131 PolarHBondContact O-N 3.39Å; N129-S131 PolarHBondContact OD1-OG 2.83Å; N129-M132 HydrophobicContact CB-CB 4.46Å; N129-M132 WeakPolarHBondContact O-CB 3.45Å; N129-M132 PolarHBondContact O-N 3.05Å
130P94.7Very high94.6Very high38 Ų3864.9 Ų64.925%0.24735%0.353CS..G310 helixtrans-62.8-28.5-17824.9-34.1000112.5I126 M132 Y133 G134 M135 L143I126-P130 VanDerWaalsContact O-CA 3.23Å; I126-P130 WeakPolarHBondContact O-CA 3.14Å; I126-P130 WeakPolarHBondContact O-CB 3.49Å; I126-P130 VanDerWaalsContact O-CD 3.32Å; I126-P130 WeakPolarHBondContact O-CD 3.45Å; I126-P130 VanDerWaalsContact O-N 3.1Å; P130-M132 PolarHBondContact O-N 3.21Å; P130-Y133 PolarHBondContact O-N 3.36Å; P130-G134 PolarHBondContact O-N 3.37Å; P130-M135 CarbonylContact C-O 3.29Å; P130-M135 HydrophobicContact CB-CB 4.01Å; P130-M135 PolarHBondContact O-N 3.2Å; P130-L143 HydrophobicContact CB-CD1 3.67Å; P130-L143 HydrophobicContact CB-CD2 4.01Å; P130-L143 HydrophobicContact CG-CD1 4.33Å
131S94.1Very high94.5Very high89 Ų8963.2 Ų63.262%0.62235%0.349SS*.G310 helixtrans-60.8-29.1179.175.80000113.4N129 Y133 G134N129-S131 PolarHBondContact O-N 3.39Å; N129-S131 PolarHBondContact OD1-OG 2.83Å; S131-Y133 PolarHBondContact O-N 2.98Å; S131-G134 PolarHBondContact O-N 2.89Å
132M92.8Very high94.5Very high84 Ų8455.4 Ų55.441%0.41432%0.32SS..G310 helixtrans-62.4-23.2175.6-172.217764.200112.8M98 N129 P130M98-M132 HydrophobicContact CE-CE 3.34Å; M98-M132 HydrophobicContact CE-SD 3.74Å; M98-M132 HydrophobicContact SD-CE 4.25Å; M98-M132 HydrophobicContact SD-SD 3.85Å; N129-M132 HydrophobicContact CB-CB 4.46Å; N129-M132 WeakPolarHBondContact O-CB 3.45Å; N129-M132 PolarHBondContact O-N 3.05Å; P130-M132 PolarHBondContact O-N 3.21Å
133Y93.7Very high94.4Very high30 Ų3056.6 Ų56.612%0.11833%0.326CS..G310 helixtrans-104.16.8177.1-59.2-81.7000112.6P77 W79 T125 I126 P130 S131 M135P77-Y133 VanDerWaalsContact CD-CD1 3.47Å; P77-Y133 HydrophobicContact CG-CD1 3.57Å; P77-Y133 HydrophobicContact CG-CE1 4.19Å; P77-Y133 HydrophobicContact CG-CG 3.78Å; W79-Y133 WeakPolarHBondContact CH2-O 3.28Å; T125-Y133 WeakPolarHBondContact CB-OH 3.39Å; T125-Y133 PolarHBondContact OG1-OH 3.43Å; I126-Y133 HydrophobicContact CB-CE2 4.44Å; I126-Y133 HydrophobicContact CG1-CD2 4.03Å; I126-Y133 HydrophobicContact CG1-CE2 3.8Å; P130-Y133 PolarHBondContact O-N 3.36Å; S131-Y133 PolarHBondContact O-N 2.98Å; Y133-M135 PolarHBondContact O-N 3.15Å
134G93.2Very high94.2Very high66 Ų6659 Ų5968%0.6834%0.338SS*.THydrogen-bonded Turntrans6720.4-171.300000113.7P130 S131P130-G134 PolarHBondContact O-N 3.37Å; S131-G134 PolarHBondContact O-N 2.89Å
135M94.7Very high93.5Very high8 Ų857.9 Ų57.94%0.03933%0.334CS..  trans-97149.3-179.3-60.817368.900111.4P77 W79 T82 I126 P130 Y133 S140 L143P77-M135 HydrophobicContact CB-CE 4.44Å; P77-M135 HydrophobicContact CB-SD 3.74Å; P77-M135 HydrophobicContact CG-SD 3.55Å; P77-M135 VanDerWaalsContact CG-SD 3.55Å; W79-M135 HydrophobicContact CH2-CG 4.43Å; W79-M135 HydrophobicContact CZ3-CG 4.07Å; W79-M135 HydrophobicContact CZ3-SD 4.28Å; T82-M135 HydrophobicContact CG2-CE 3.67Å; T82-M135 HydrophobicContact CG2-SD 4.43Å; I126-M135 HydrophobicContact CG2-CE 3.94Å; I126-M135 HydrophobicContact CG2-SD 4.04Å; P130-M135 CarbonylContact C-O 3.29Å; P130-M135 HydrophobicContact CB-CB 4.01Å; P130-M135 PolarHBondContact O-N 3.2Å; Y133-M135 PolarHBondContact O-N 3.15Å; M135-S140 VanDerWaalsContact CE-CB 3.5Å; M135-S140 WeakPolarHBondContact CE-OG 3.5Å; M135-L143 HydrophobicContact CB-CD1 4.01Å; M135-L143 HydrophobicContact CE-CD1 4.42Å; M135-L143 HydrophobicContact CE-CD2 4.41Å; M135-L143 HydrophobicContact CE-CG 4.25Å
136S94.6Very high92Very high43 Ų4361.5 Ų61.530%0.30135%0.353SS..  trans-149.2162.6174.570.20000109.7S138 T139 S140S136-S138 PolarHBondContact O-N 2.91Å; S136-S138 VanDerWaalsContact O-N 3.11Å; S136-S138 PolarHBondContact OG-OG 3.27Å; S136-T139 PolarHBondContact N-OG1 3.12Å; S136-T139 PolarHBondContact O-N 2.68Å; S136-T139 PolarHBondContact O-OG1 3.03Å; S136-T139 PolarHBondContact OG-N 2.87Å; S136-T139 PolarHBondContact OG-OG1 2.87Å; S136-S140 PolarHBondContact O-N 3.35Å
137G91.7Very high89.9Confident34 Ų3465 Ų6535%0.35139%0.389SS..THydrogen-bonded Turntrans-60-22.5179.100000114.1N144G137-N144 PolarHBondContact O-ND2 3.38Å
138S91.4Very high87.4Confident109 Ų10976.8 Ų76.876%0.76243%0.433SS*.THydrogen-bonded Turntrans-85.4-2717557.20000113.6S136S136-S138 PolarHBondContact O-N 2.91Å; S136-S138 VanDerWaalsContact O-N 3.11Å; S136-S138 PolarHBondContact OG-OG 3.27Å
139T92.3Very high87.1Confident86 Ų8670.9 Ų70.953%0.52842%0.418SS..THydrogen-bonded Turntrans-99.3-13.6-179.6580000113.4S136S136-T139 PolarHBondContact N-OG1 3.12Å; S136-T139 PolarHBondContact O-N 2.68Å; S136-T139 PolarHBondContact O-OG1 3.03Å; S136-T139 PolarHBondContact OG-N 2.87Å; S136-T139 PolarHBondContact OG-OG1 2.87Å
140S95.2Very high86.7Confident5 Ų570.8 Ų70.84%0.03542%0.42CS..  trans-143.793.8-174.7-59.40000110.6T82 M135 S136 C142 L143T82-S140 CarbonylContact O-C 3.54Å; T82-S140 VanDerWaalsContact O-C 3.29Å; T82-S140 VanDerWaalsContact O-CA 3.3Å; T82-S140 WeakPolarHBondContact O-CA 3.37Å; M135-S140 VanDerWaalsContact CE-CB 3.5Å; M135-S140 WeakPolarHBondContact CE-OG 3.5Å; S136-S140 PolarHBondContact O-N 3.35Å; S140-C142 PolarHBondContact O-N 2.91Å; S140-C142 VanDerWaalsContact O-N 3.13Å; S140-L143 WeakPolarHBondContact O-CB 3.38Å; S140-L143 PolarHBondContact O-N 3.37Å; S140-L143 VanDerWaalsContact O-N 3.11Å
141L94.9Very high86.2Confident80 Ų8072.7 Ų72.742%0.41943%0.429SS..G310 helixtrans-58.5-26.1-178.7-64.3-169.7000113.1T82 W83 K84 L143 N144T82-L141 PolarHBondContact O-N 3.19Å; W83-L141 VanDerWaalsContact O-CD1 3.23Å; W83-L141 WeakPolarHBondContact O-CD1 3.46Å; W83-L141 WeakPolarHBondContact O-CG 3.04Å; K84-L141 CarbonylContact O-C 3.51Å; L141-L143 PolarHBondContact O-N 3.05Å; L141-L143 VanDerWaalsContact O-N 3.15Å; L141-N144 WeakPolarHBondContact O-CB 3.48Å; L141-N144 PolarHBondContact O-N 2.85Å
142C95.8Very high85.8Confident0 Ų071.7 Ų71.70%042%0.418CS..G310 helixtrans-60.8-25.7178.978.50000113.3T82 K84 E86 C88 Y127 S140 N144T82-C142 PolarHBondContact O-N 3.47Å; T82-C142 VanDerWaalsContact O-N 3.12Å; K84-C142 PolarHBondContact O-N 3.42Å; E86-C142 WeakPolarHBondContact O-CA 3.48Å; E86-C142 WeakPolarHBondContact O-CB 3.36Å; C88-C142 VanDerWaalsContact CA-SG 3.54Å; C88-C142 HydrophobicContact CB-CB 3.9Å; C88-C142 WeakPolarHBondContact CB-SG 3.14Å; C88-C142 WeakPolarHBondContact SG-CB 3.42Å; C88-C142 PolarHBondContact SG-O 3.49Å; C88-C142 VanDerWaalsContact SG-O 3.41Å; C88-C142 CovalentContact SG-SG 2.05Å; C88-C142 PolarHBondContact SG-SG 3.49Å; Y127-C142 PolarHBondContact OH-O 3.47Å; S140-C142 PolarHBondContact O-N 2.91Å; S140-C142 VanDerWaalsContact O-N 3.13Å; C142-N144 PolarHBondContact O-N 3.36Å
143L95.6Very high85.3Confident25 Ų2570.9 Ų70.913%0.13142%0.418CS..G310 helixtrans-68.6-23.9177.7-67.5173.4000112.4C88 I126 Y127 P130 M135 S140 L141C88-L143 PolarHBondContact SG-N 2.68Å; I126-L143 HydrophobicContact CG2-CD2 3.73Å; Y127-L143 HydrophobicContact CD1-CD2 4.18Å; Y127-L143 HydrophobicContact CE1-CD2 4.41Å; P130-L143 HydrophobicContact CB-CD1 3.67Å; P130-L143 HydrophobicContact CB-CD2 4.01Å; P130-L143 HydrophobicContact CG-CD1 4.33Å; M135-L143 HydrophobicContact CB-CD1 4.01Å; M135-L143 HydrophobicContact CE-CD1 4.42Å; M135-L143 HydrophobicContact CE-CD2 4.41Å; M135-L143 HydrophobicContact CE-CG 4.25Å; S140-L143 WeakPolarHBondContact O-CB 3.38Å; S140-L143 PolarHBondContact O-N 3.37Å; S140-L143 VanDerWaalsContact O-N 3.11Å; L141-L143 PolarHBondContact O-N 3.05Å; L141-L143 VanDerWaalsContact O-N 3.15Å
144N92.2Very high84.8Confident91 Ų9173.7 Ų73.749%0.48744%0.438SS..G310 helixtrans-87.4-5.2-172.7-58.1-29.4000113.2G137 L141 C142G137-N144 PolarHBondContact O-ND2 3.38Å; L141-N144 WeakPolarHBondContact O-CB 3.48Å; L141-N144 PolarHBondContact O-N 2.85Å; C142-N144 PolarHBondContact O-N 3.36Å
145I82.2Confident84.2Confident73 Ų7374.2 Ų74.237%0.37442%0.421SS..G310 helixtrans-80.3-19.4-173.5-59-61000113A85 P87A85-I145 VanDerWaalsContact C-CD1 3.43Å; A85-I145 HydrophobicContact CB-CD1 3.98Å; A85-I145 WeakPolarHBondContact O-CD1 3.5Å; P87-I145 HydrophobicContact CG-CG2 3.92Å
146N63Low83.3Confident96 Ų9679.3 Ų79.351%0.51345%0.45SS..G310 helixtrans-108.317.2-175.2-78.5-22.5000115.4Y127 R148Y127-N146 HydrophobicContact CE1-CB 4.18Å; Y127-N146 PolarHBondContact OH-ND2 2.62Å; N146-R148 PolarHBondContact O-N 2.8Å
147G50.8Low82.4Confident74 Ų7482.3 Ų82.376%0.76346%0.463SS*.  trans40.753.2159.400000116.7
148R43.9Very low81.6Confident315 Ų31586.7 Ų86.7100%1.18947%0.473SS*.  trans-98.80153.1-79.8-172.2-179.9174.1-1.1108.9N146N146-R148 PolarHBondContact O-N 2.8Å

Retrieved 148 of 148 residues in 42.4 ms (Link to these results)

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