A0A077ZHT7_TRITR Loading...

Aminotran 3 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZHT7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 169 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
1M95.3Very high96.9Very high34 Ų3436.4 Ų36.417%0.16719%0.191CC..  089.30-66.9-170.468.400108.9R3 F7 A25 L26 V68M1-R3 PolarHBondContact O-N 3.29Å; M1-F7 CarbonylContact C-O 3.45Å; M1-F7 WeakPolarHBondContact CA-O 3.42Å; M1-F7 HydrophobicContact CE-CE2 3.94Å; M1-F7 HydrophobicContact CE-CZ 3.84Å; M1-F7 HydrophobicContact CG-CZ 4.39Å; M1-F7 PolarHBondContact N-O 3.43Å; M1-A25 HydrophobicContact CB-CB 4.05Å; M1-L26 HydrophobicContact CE-CD1 4.42Å; M1-L26 VanDerWaalsContact SD-CA 3.58Å; M1-L26 HydrophobicContact SD-CB 4.04Å; M1-L26 HydrophobicContact SD-CD1 4.1Å; M1-V68 HydrophobicContact CE-CB 4.29Å; M1-V68 HydrophobicContact CE-CG2 3.45Å; M1-V68 VanDerWaalsContact CE-CG2 3.45Å
2G97.7Very high96.7Very high0 Ų037 Ų370%021%0.205CC..  trans74.1-31.2172.500000116.6T4 G5 T6 F7 V80G2-T4 PolarHBondContact O-N 2.91Å; G2-G5 PolarHBondContact O-N 2.94Å; G2-T6 CarbonylContact C-O 3.53Å; G2-T6 WeakPolarHBondContact CA-O 3.36Å; G2-T6 PolarHBondContact N-O 2.7Å; G2-T6 VanDerWaalsContact N-O 3.12Å; G2-F7 PolarHBondContact N-O 3.43Å; G2-V80 VanDerWaalsContact O-CG1 3.29Å; G2-V80 WeakPolarHBondContact O-CG1 3.35Å
3R98.3Very high96.6Very high58 Ų5845.5 Ų45.522%0.21923%0.234CC..THydrogen-bonded Turntrans-45.9-38.1-173.6177.85555.6-171.8-2115.7M1 L109 M110 P147M1-R3 PolarHBondContact O-N 3.29Å; R3-L109 VanDerWaalsContact CD-O 3.31Å; R3-L109 WeakPolarHBondContact CD-O 3.31Å; R3-L109 VanDerWaalsContact NH1-CB 3.27Å; R3-L109 PolarHBondContact NH1-O 2.69Å; R3-L109 PolarHBondContact O-N 3.09Å; R3-M110 HydrophobicContact CG-CB 3.78Å; R3-M110 HydrophobicContact CG-SD 4.34Å; R3-P147 PolarHBondContact NH1-O 3.44Å; R3-P147 PolarHBondContact NH2-O 3.18Å
4T98Very high96.2Very high24 Ų2455.9 Ų55.915%0.14728%0.281CS..THydrogen-bonded Turntrans-96.310.5-176.652.10000113.8G2 T6 A9 K107G2-T4 PolarHBondContact O-N 2.91Å; T4-T6 PolarHBondContact O-N 3.43Å; T4-T6 PolarHBondContact OG1-OG1 3.41Å; T4-A9 HydrophobicContact CG2-CB 4.04Å; T4-A9 WeakPolarHBondContact OG1-CA 3.44Å; T4-K107 HydrophobicContact CG2-CB 4.26Å; T4-K107 HydrophobicContact CG2-CG 4.46Å
5G97.1Very high96.2Very high14 Ų1458.5 Ų58.514%0.14430%0.295CS..SBendtrans82.2-1.2-172.800000114.3G2G2-G5 PolarHBondContact O-N 2.94Å
6T96.7Very high96.1Very high31 Ų3164.4 Ų64.419%0.1932%0.321CS..SBendtrans-123.5161.1170.954.40000109.3G2 T4 Y8 A12G2-T6 CarbonylContact C-O 3.53Å; G2-T6 WeakPolarHBondContact CA-O 3.36Å; G2-T6 PolarHBondContact N-O 2.7Å; G2-T6 VanDerWaalsContact N-O 3.12Å; T4-T6 PolarHBondContact O-N 3.43Å; T4-T6 PolarHBondContact OG1-OG1 3.41Å; T6-Y8 WeakPolarHBondContact CB-O 3.44Å; T6-Y8 PolarHBondContact OG1-O 3.22Å; T6-A12 HydrophobicContact CG2-CB 4.04Å
7F97.2Very high96.2Very high15 Ų1563.1 Ų63.17%0.06632%0.319CS..SBendtrans-65-53.8-178-174.3-109000109.7M1 G2 E11 V68 I71 N72 L77M1-F7 CarbonylContact C-O 3.45Å; M1-F7 WeakPolarHBondContact CA-O 3.42Å; M1-F7 HydrophobicContact CE-CE2 3.94Å; M1-F7 HydrophobicContact CE-CZ 3.84Å; M1-F7 HydrophobicContact CG-CZ 4.39Å; M1-F7 PolarHBondContact N-O 3.43Å; G2-F7 PolarHBondContact N-O 3.43Å; F7-E11 PolarHBondContact N-OE2 3.36Å; F7-V68 HydrophobicContact CE2-CG1 4.48Å; F7-V68 HydrophobicContact CZ-CG1 4.01Å; F7-I71 HydrophobicContact CD2-CG2 4.12Å; F7-I71 HydrophobicContact CE2-CG2 4.13Å; F7-N72 HydrophobicContact CD2-CB 3.8Å; F7-N72 WeakPolarHBondContact CD2-OD1 3.5Å; F7-N72 HydrophobicContact CE2-CB 3.65Å; F7-N72 WeakPolarHBondContact CG-OD1 3.4Å; F7-N72 HydrophobicContact CZ-CB 4.33Å; F7-L77 HydrophobicContact CB-CD1 4.07Å
8Y97.4Very high96.3Very high46 Ų4664.7 Ų64.718%0.1833%0.328CS..SBendtrans-106.1143.5162.9-55.7-62.5000112.1T6 F10 E11 I20 I22T6-Y8 WeakPolarHBondContact CB-O 3.44Å; T6-Y8 PolarHBondContact OG1-O 3.22Å; Y8-F10 VanDerWaalsContact CB-CD1 3.47Å; Y8-F10 HydrophobicContact CD1-CE1 4.14Å; Y8-F10 AromaticContact CD2-CE1 3.58Å; Y8-F10 HydrophobicContact CD2-CE1 3.58Å; Y8-F10 HydrophobicContact CD2-CE2 4.36Å; Y8-F10 AromaticContact CD2-CZ 3.39Å; Y8-F10 HydrophobicContact CD2-CZ 3.39Å; Y8-F10 HydrophobicContact CE2-CE1 4.45Å; Y8-F10 HydrophobicContact CE2-CZ 4.23Å; Y8-F10 HydrophobicContact CG-CD1 4.15Å; Y8-F10 AromaticContact CG-CE1 3.37Å; Y8-F10 HydrophobicContact CG-CE1 3.37Å; Y8-F10 AromaticContact CG-CZ 3.69Å; Y8-F10 HydrophobicContact CG-CZ 3.69Å; Y8-F10 PolarHBondContact O-N 2.97Å; Y8-E11 WeakPolarHBondContact CB-OE1 3.4Å; Y8-E11 WeakPolarHBondContact CD2-OE1 3.43Å; Y8-E11 PolarHBondContact N-OE1 2.96Å; Y8-E11 WeakPolarHBondContact O-CB 3.41Å; Y8-E11 PolarHBondContact O-N 3.12Å; Y8-I20 HydrophobicContact CD1-CD1 4.24Å; Y8-I20 HydrophobicContact CD2-CD1 4.49Å; Y8-I20 HydrophobicContact CE1-CD1 3.86Å; Y8-I20 HydrophobicContact CE2-CD1 4.09Å; Y8-I22 HydrophobicContact CE1-CG2 3.87Å
9A96.7Very high96.4Very high47 Ų4765.5 Ų65.539%0.38833%0.332SS..G310 helixtrans-62.7-31.7-179.400000112.6T4 E11 A12 Y13T4-A9 HydrophobicContact CG2-CB 4.04Å; T4-A9 WeakPolarHBondContact OG1-CA 3.44Å; A9-E11 VanDerWaalsContact C-N 3.27Å; A9-E11 PolarHBondContact O-N 3.35Å; A9-A12 PolarHBondContact O-N 3.08Å; A9-Y13 VanDerWaalsContact O-CD2 3.23Å; A9-Y13 WeakPolarHBondContact O-CD2 3.35Å; A9-Y13 WeakPolarHBondContact O-CE2 3.28Å
10F96.7Very high96.4Very high51 Ų5163.7 Ų63.722%0.22432%0.323CS..G310 helixtrans-66.4-25.9-178.469-111.9000113.4Y8 A12 Y13 Q14 I15 P17 I20Y8-F10 VanDerWaalsContact CB-CD1 3.47Å; Y8-F10 HydrophobicContact CD1-CE1 4.14Å; Y8-F10 AromaticContact CD2-CE1 3.58Å; Y8-F10 HydrophobicContact CD2-CE1 3.58Å; Y8-F10 HydrophobicContact CD2-CE2 4.36Å; Y8-F10 AromaticContact CD2-CZ 3.39Å; Y8-F10 HydrophobicContact CD2-CZ 3.39Å; Y8-F10 HydrophobicContact CE2-CE1 4.45Å; Y8-F10 HydrophobicContact CE2-CZ 4.23Å; Y8-F10 HydrophobicContact CG-CD1 4.15Å; Y8-F10 AromaticContact CG-CE1 3.37Å; Y8-F10 HydrophobicContact CG-CE1 3.37Å; Y8-F10 AromaticContact CG-CZ 3.69Å; Y8-F10 HydrophobicContact CG-CZ 3.69Å; Y8-F10 PolarHBondContact O-N 2.97Å; F10-A12 PolarHBondContact O-N 2.67Å; F10-Y13 PolarHBondContact O-N 3.36Å; F10-Q14 PolarHBondContact O-N 3.37Å; F10-I15 HydrophobicContact CB-CD1 3.77Å; F10-I15 HydrophobicContact CB-CG1 3.61Å; F10-I15 WeakPolarHBondContact CD2-O 3.24Å; F10-I15 HydrophobicContact CG-CG1 4.46Å; F10-P17 HydrophobicContact CB-CG 4.27Å; F10-P17 HydrophobicContact CD1-CG 3.89Å; F10-P17 HydrophobicContact CD2-CG 4.2Å; F10-P17 HydrophobicContact CE1-CG 4.27Å; F10-P17 HydrophobicContact CG-CG 3.88Å; F10-I20 HydrophobicContact CD1-CG2 4.16Å; F10-I20 HydrophobicContact CE1-CD1 3.97Å; F10-I20 HydrophobicContact CE1-CG2 3.76Å
11E95.1Very high96.5Very high80 Ų8065.9 Ų65.937%0.37434%0.34SS..G310 helixtrans-56.5-37.7179.5-69.3163.5-156.500111.2F7 Y8 A9 Y13 Q14F7-E11 PolarHBondContact N-OE2 3.36Å; Y8-E11 WeakPolarHBondContact CB-OE1 3.4Å; Y8-E11 WeakPolarHBondContact CD2-OE1 3.43Å; Y8-E11 PolarHBondContact N-OE1 2.96Å; Y8-E11 WeakPolarHBondContact O-CB 3.41Å; Y8-E11 PolarHBondContact O-N 3.12Å; A9-E11 VanDerWaalsContact C-N 3.27Å; A9-E11 PolarHBondContact O-N 3.35Å; E11-Y13 PolarHBondContact O-N 3.19Å; E11-Q14 PolarHBondContact O-N 3.2Å
12A94Very high96.6Very high44 Ų4465.5 Ų65.536%0.36434%0.338SS..G310 helixtrans-76.2-0.5179.900000114.1T6 A9 F10T6-A12 HydrophobicContact CG2-CB 4.04Å; A9-A12 PolarHBondContact O-N 3.08Å; F10-A12 PolarHBondContact O-N 2.67Å
13Y95.7Very high96.6Very high147 Ų14767.7 Ų67.758%0.57636%0.356SS*.G310 helixtrans-114.24.4175.9-63.4-86.3000112.5A9 F10 E11 I15A9-Y13 VanDerWaalsContact O-CD2 3.23Å; A9-Y13 WeakPolarHBondContact O-CD2 3.35Å; A9-Y13 WeakPolarHBondContact O-CE2 3.28Å; F10-Y13 PolarHBondContact O-N 3.36Å; E11-Y13 PolarHBondContact O-N 3.19Å; Y13-I15 WeakPolarHBondContact O-CG2 3.4Å; Y13-I15 PolarHBondContact O-N 3.39Å
14Q91.4Very high96.6Very high191 Ų19173.9 Ų73.989%0.89339%0.385SS*.THydrogen-bonded Turntrans53.835.3179.9-53.8175.725.700112.7F10 E11F10-Q14 PolarHBondContact O-N 3.37Å; E11-Q14 PolarHBondContact O-N 3.2Å
15I95.5Very high96.5Very high96 Ų9674.3 Ų74.349%0.49239%0.391SS..  trans-106148173.867.7179.6000109.5F10 Y13F10-I15 HydrophobicContact CB-CD1 3.77Å; F10-I15 HydrophobicContact CB-CG1 3.61Å; F10-I15 WeakPolarHBondContact CD2-O 3.24Å; F10-I15 HydrophobicContact CG-CG1 4.46Å; Y13-I15 WeakPolarHBondContact O-CG2 3.4Å; Y13-I15 PolarHBondContact O-N 3.39Å
16E95.7Very high96.6Very high152 Ų15274.2 Ų74.271%0.7139%0.387SS*.  trans-119.295.8175.5-170-172.815600109.2K38E16-K38 WeakPolarHBondContact OE1-CE 3.41Å; E16-K38 IonicContact OE1-NZ 2.79Å
17P97.4Very high96.6Very high43 Ų4372.8 Ų72.828%0.27938%0.378SS..  trans-69.5142.3-178.9-1630.1000111.8F10 I19 I20F10-P17 HydrophobicContact CB-CG 4.27Å; F10-P17 HydrophobicContact CD1-CG 3.89Å; F10-P17 HydrophobicContact CD2-CG 4.2Å; F10-P17 HydrophobicContact CE1-CG 4.27Å; F10-P17 HydrophobicContact CG-CG 3.88Å; P17-I19 VanDerWaalsContact C-N 3.32Å; P17-I20 HydrophobicContact CB-CG2 3.59Å; P17-I20 HydrophobicContact CG-CG2 3.71Å
18D97.6Very high96.5Very high92 Ų9278.2 Ų78.249%0.49241%0.408SS..SBendtrans-70.9-32.1173.9-55.6-53.6000112.5G37 K38 L41D18-G37 WeakPolarHBondContact O-CA 3.01Å; D18-K38 HydrophobicContact CB-CD 4.41Å; D18-K38 PolarHBondContact O-N 2.98Å; D18-K38 WeakPolarHBondContact OD1-CE 3.02Å; D18-K38 IonicContact OD1-NZ 2.61Å; D18-K38 PolarHBondContact OD1-NZ 3.47Å; D18-L41 HydrophobicContact CB-CD1 4.13Å
19I97.5Very high96.4Very high79 Ų7979.3 Ų79.341%0.40543%0.433SS..EExtended strand (participates in β ladder)trans-137135.7175.8-58.7177.8000109P17 M35 L36 L41P17-I19 VanDerWaalsContact C-N 3.32Å; I19-M35 HydrophobicContact CG2-CE 4.47Å; I19-M35 HydrophobicContact CG2-CG 3.47Å; I19-M35 VanDerWaalsContact CG2-CG 3.47Å; I19-M35 HydrophobicContact CG2-SD 3.85Å; I19-L36 CarbonylContact C-O 3.55Å; I19-L36 VanDerWaalsContact CA-O 3.29Å; I19-L36 WeakPolarHBondContact CA-O 3.28Å; I19-L41 HydrophobicContact CD1-CD1 3.91Å; I19-L41 HydrophobicContact CG1-CD1 3.57Å
20I97.5Very high96.4Very high29 Ų2980.2 Ų80.215%0.14943%0.431CS..EExtended strand (participates in β ladder)trans-123.8153.7167.465.5172.1000111Y8 F10 P17 I22 M35 L36Y8-I20 HydrophobicContact CD1-CD1 4.24Å; Y8-I20 HydrophobicContact CD2-CD1 4.49Å; Y8-I20 HydrophobicContact CE1-CD1 3.86Å; Y8-I20 HydrophobicContact CE2-CD1 4.09Å; F10-I20 HydrophobicContact CD1-CG2 4.16Å; F10-I20 HydrophobicContact CE1-CD1 3.97Å; F10-I20 HydrophobicContact CE1-CG2 3.76Å; P17-I20 HydrophobicContact CB-CG2 3.59Å; P17-I20 HydrophobicContact CG-CG2 3.71Å; I20-I22 HydrophobicContact CD1-CG2 4.43Å; I20-M35 WeakPolarHBondContact O-CA 3.48Å; I20-L36 HydrophobicContact CD1-CB 4.31Å; I20-L36 HydrophobicContact CD1-CD2 4.4Å; I20-L36 HydrophobicContact CG1-CB 3.75Å; I20-L36 HydrophobicContact CG1-CD1 4.31Å; I20-L36 HydrophobicContact CG1-CG 4.46Å; I20-L36 PolarHBondContact N-O 3.17Å; I20-L36 PolarHBondContact O-N 3.42Å
21T97.9Very high96.4Very high110 Ų11083.2 Ų83.268%0.67546%0.456SS*.EExtended strand (participates in β ladder)trans-118.7138.2172.756.20000110.1A34 M35T21-A34 WeakPolarHBondContact CA-O 3.28Å; T21-M35 HydrophobicContact CG2-CE 4.48Å
22I97.9Very high96.5Very high27 Ų2780.8 Ų80.814%0.13845%0.446CS..EExtended strand (participates in β ladder)trans-136.6147.7-178.759.6170.2000110.3Y8 I20 L26 G33 A34 L36Y8-I22 HydrophobicContact CE1-CG2 3.87Å; I20-I22 HydrophobicContact CD1-CG2 4.43Å; I22-L26 HydrophobicContact CD1-CD1 3.91Å; I22-L26 HydrophobicContact CD1-CD2 4Å; I22-L26 HydrophobicContact CG1-CD2 4.03Å; I22-G33 CarbonylContact O-C 3.55Å; I22-G33 WeakPolarHBondContact O-CA 3.43Å; I22-A34 HydrophobicContact CD1-CB 4.15Å; I22-A34 HydrophobicContact CG1-CB 3.77Å; I22-A34 PolarHBondContact N-O 3.08Å; I22-A34 PolarHBondContact O-N 3.07Å; I22-L36 HydrophobicContact CD1-CD1 3.46Å; I22-L36 VanDerWaalsContact CD1-CD1 3.46Å; I22-L36 HydrophobicContact CG1-CD1 3.65Å
23A97.6Very high96.7Very high46 Ų4681.2 Ų81.238%0.3846%0.455SS..  trans-165.9-149.3-179.800000107.6A25 L26 V32A23-A25 PolarHBondContact O-N 2.79Å; A23-L26 WeakPolarHBondContact O-CB 3.44Å; A23-L26 PolarHBondContact O-N 2.79Å; A23-V32 WeakPolarHBondContact CA-O 3.19Å; A23-V32 WeakPolarHBondContact CB-O 3.38Å
24K97.1Very high96.7Very high188 Ų18876.1 Ų76.182%0.81744%0.443SS*.G310 helixtrans50.8-98.6171.1-62.9-172.3177.9740112.4L26 N28K24-L26 PolarHBondContact O-N 2.85Å; K24-N28 PolarHBondContact O-N 2.89Å
25A97.2Very high96.9Very high32 Ų3272 Ų7226%0.26443%0.425SS..G310 helixtrans-61.7-18.9177.800000113.1M1 A23 A27 N28 V67M1-A25 HydrophobicContact CB-CB 4.05Å; A23-A25 PolarHBondContact O-N 2.79Å; A25-A27 VanDerWaalsContact C-N 3.27Å; A25-A27 PolarHBondContact O-N 3.13Å; A25-N28 PolarHBondContact O-N 3.41Å; A25-V67 WeakPolarHBondContact O-CG1 3.38Å
26L97.8Very high96.9Very high13 Ų1370.9 Ų70.97%0.06842%0.42CS..G310 helixtrans-49.8-44-179.2177.857.4000113.2M1 I22 A23 K24 V32 A34 A64 V68M1-L26 HydrophobicContact CE-CD1 4.42Å; M1-L26 VanDerWaalsContact SD-CA 3.58Å; M1-L26 HydrophobicContact SD-CB 4.04Å; M1-L26 HydrophobicContact SD-CD1 4.1Å; I22-L26 HydrophobicContact CD1-CD1 3.91Å; I22-L26 HydrophobicContact CD1-CD2 4Å; I22-L26 HydrophobicContact CG1-CD2 4.03Å; A23-L26 WeakPolarHBondContact O-CB 3.44Å; A23-L26 PolarHBondContact O-N 2.79Å; K24-L26 PolarHBondContact O-N 2.85Å; L26-V32 HydrophobicContact CB-CG1 3.9Å; L26-V32 HydrophobicContact CD2-CB 4.39Å; L26-V32 HydrophobicContact CD2-CG1 3.73Å; L26-V32 HydrophobicContact CD2-CG2 3.83Å; L26-V32 HydrophobicContact CG-CG1 3.65Å; L26-V32 HydrophobicContact CG-CG2 4.48Å; L26-A34 HydrophobicContact CD2-CB 4.13Å; L26-A64 HydrophobicContact CD1-CB 4.04Å; L26-A64 HydrophobicContact CG-CB 4.1Å; L26-A64 WeakPolarHBondContact O-CA 3.31Å; L26-V68 HydrophobicContact CD1-CG2 3.84Å
27A97.6Very high96.9Very high1 Ų166 Ų661%0.00841%0.41CS..G310 helixtrans-128.930.3171.600000112.6A25 G29 I30 V32 V63 A64A25-A27 VanDerWaalsContact C-N 3.27Å; A25-A27 PolarHBondContact O-N 3.13Å; A27-G29 VanDerWaalsContact C-N 3.25Å; A27-G29 PolarHBondContact O-N 3.34Å; A27-I30 HydrophobicContact CB-CB 3.89Å; A27-I30 PolarHBondContact O-N 3.25Å; A27-V32 HydrophobicContact CB-CB 4.44Å; A27-V32 HydrophobicContact CB-CG1 3.37Å; A27-V63 HydrophobicContact CB-CB 4.23Å; A27-V63 HydrophobicContact CB-CG1 3.84Å; A27-A64 HydrophobicContact CB-CB 4.14Å
28N95.4Very high96.9Very high129 Ų12966.5 Ų66.569%0.6941%0.408SS*.THydrogen-bonded Turntrans38.745.8171.6-158.131.9000116.1K24 A25 V67K24-N28 PolarHBondContact O-N 2.89Å; A25-N28 PolarHBondContact O-N 3.41Å; N28-V67 HydrophobicContact CB-CG1 4.11Å; N28-V67 HydrophobicContact CB-CG2 3.86Å
29G94.9Very high96.8Very high69 Ų6968 Ų6871%0.71142%0.42SS*.THydrogen-bonded Turntrans118.2-2117900000114.8A27A27-G29 VanDerWaalsContact C-N 3.25Å; A27-G29 PolarHBondContact O-N 3.34Å
30I97.3Very high96.8Very high66 Ų6669.7 Ų69.734%0.33843%0.426SS..SBendtrans-78.6133170.3-58.6-57.8000109.7A27 V32 A60 V63A27-I30 HydrophobicContact CB-CB 3.89Å; A27-I30 PolarHBondContact O-N 3.25Å; I30-V32 PolarHBondContact O-N 3.39Å; I30-A60 HydrophobicContact CG2-CB 3.91Å; I30-V63 HydrophobicContact CB-CG1 4.46Å; I30-V63 HydrophobicContact CG1-CB 4.37Å; I30-V63 HydrophobicContact CG1-CG1 4.02Å; I30-V63 HydrophobicContact CG1-CG2 4.22Å
31P97Very high96.6Very high114 Ų11471.3 Ų71.374%0.7444%0.435SS*.  trans-62.2111.4-178.1-24.634.9000112.6
32V97Very high96.4Very high28 Ų2868.9 Ų68.917%0.1743%0.426CS..  trans-156.5144.2172.966.70000110.2A23 L26 A27 I30 A60 M61A23-V32 WeakPolarHBondContact CA-O 3.19Å; A23-V32 WeakPolarHBondContact CB-O 3.38Å; L26-V32 HydrophobicContact CB-CG1 3.9Å; L26-V32 HydrophobicContact CD2-CB 4.39Å; L26-V32 HydrophobicContact CD2-CG1 3.73Å; L26-V32 HydrophobicContact CD2-CG2 3.83Å; L26-V32 HydrophobicContact CG-CG1 3.65Å; L26-V32 HydrophobicContact CG-CG2 4.48Å; A27-V32 HydrophobicContact CB-CB 4.44Å; A27-V32 HydrophobicContact CB-CG1 3.37Å; I30-V32 PolarHBondContact O-N 3.39Å; V32-A60 HydrophobicContact CB-CB 4.34Å; V32-M61 HydrophobicContact CG2-CE 3.46Å; V32-M61 VanDerWaalsContact CG2-CE 3.46Å
33G97Very high96.2Very high54 Ų5476.1 Ų76.156%0.55746%0.459SS*.  trans-139.7154.1164.800000109.3I22I22-G33 CarbonylContact O-C 3.55Å; I22-G33 WeakPolarHBondContact O-CA 3.43Å
34A96.6Very high96Very high40 Ų4077.5 Ų77.533%0.33147%0.47SS..EExtended strand (participates in β ladder)trans-139.5149.7175.500000110.5T21 I22 L26 L36T21-A34 WeakPolarHBondContact CA-O 3.28Å; I22-A34 HydrophobicContact CD1-CB 4.15Å; I22-A34 HydrophobicContact CG1-CB 3.77Å; I22-A34 PolarHBondContact N-O 3.08Å; I22-A34 PolarHBondContact O-N 3.07Å; L26-A34 HydrophobicContact CD2-CB 4.13Å; A34-L36 HydrophobicContact CB-CD1 4.12Å
35M95.8Very high95.6Very high105 Ų10573.4 Ų73.452%0.51745%0.453SS..EExtended strand (participates in β ladder)trans-109.9126.9165.4-179.9-176-7100106.7I19 I20 T21 F45I19-M35 HydrophobicContact CG2-CE 4.47Å; I19-M35 HydrophobicContact CG2-CG 3.47Å; I19-M35 VanDerWaalsContact CG2-CG 3.47Å; I19-M35 HydrophobicContact CG2-SD 3.85Å; I20-M35 WeakPolarHBondContact O-CA 3.48Å; T21-M35 HydrophobicContact CG2-CE 4.48Å; M35-F45 HydrophobicContact SD-CE2 4.35Å; M35-F45 HydrophobicContact SD-CZ 3.87Å
36L95.8Very high95.2Very high71 Ų7173.5 Ų73.537%0.37246%0.457SS..EExtended strand (participates in β ladder)trans-110.1126.6172.9-66.676.8000106.2I19 I20 I22 A34I19-L36 CarbonylContact C-O 3.55Å; I19-L36 VanDerWaalsContact CA-O 3.29Å; I19-L36 WeakPolarHBondContact CA-O 3.28Å; I20-L36 HydrophobicContact CD1-CB 4.31Å; I20-L36 HydrophobicContact CD1-CD2 4.4Å; I20-L36 HydrophobicContact CG1-CB 3.75Å; I20-L36 HydrophobicContact CG1-CD1 4.31Å; I20-L36 HydrophobicContact CG1-CG 4.46Å; I20-L36 PolarHBondContact N-O 3.17Å; I20-L36 PolarHBondContact O-N 3.42Å; I22-L36 HydrophobicContact CD1-CD1 3.46Å; I22-L36 VanDerWaalsContact CD1-CD1 3.46Å; I22-L36 HydrophobicContact CG1-CD1 3.65Å; A34-L36 HydrophobicContact CB-CD1 4.12Å
37G95.2Very high94.9Very high49 Ų4980 Ų8051%0.50550%0.5SS..EExtended strand (participates in β ladder)trans-126.5155.6177.300000110.4D18D18-G37 WeakPolarHBondContact O-CA 3.01Å
38K97.1Very high94.7Very high54 Ų5484 Ų8424%0.23554%0.541CS..  trans-61.2152.5170.2-64.5-178.3177167.30111E16 D18 E40 L41E16-K38 WeakPolarHBondContact OE1-CE 3.41Å; E16-K38 IonicContact OE1-NZ 2.79Å; D18-K38 HydrophobicContact CB-CD 4.41Å; D18-K38 PolarHBondContact O-N 2.98Å; D18-K38 WeakPolarHBondContact OD1-CE 3.02Å; D18-K38 IonicContact OD1-NZ 2.61Å; D18-K38 PolarHBondContact OD1-NZ 3.47Å; K38-E40 VanDerWaalsContact C-N 3.26Å; K38-E40 VanDerWaalsContact CB-CD 3.41Å; K38-E40 HydrophobicContact CB-CG 4.3Å; K38-E40 WeakPolarHBondContact CB-OE1 3.22Å; K38-E40 WeakPolarHBondContact CB-OE2 3.48Å; K38-E40 WeakPolarHBondContact CD-OE1 3.43Å; K38-E40 PolarHBondContact O-N 3.23Å; K38-L41 WeakPolarHBondContact O-CB 3.3Å; K38-L41 PolarHBondContact O-N 3.25Å
39V95.9Very high94.5Very high123 Ų12381.1 Ų81.175%0.74553%0.531SS*.G310 helixtrans-62.2-33.5-171.365.20000112.6L41 A42V39-L41 PolarHBondContact O-N 3.35Å; V39-A42 WeakPolarHBondContact O-CB 3Å; V39-A42 PolarHBondContact O-N 3.43Å
40E96.3Very high94.3Very high115 Ų11584.6 Ų84.654%0.53753%0.528SS..G310 helixtrans-63.6-17.9176.560.5-91.1-152.500113.6K38K38-E40 VanDerWaalsContact C-N 3.26Å; K38-E40 VanDerWaalsContact CB-CD 3.41Å; K38-E40 HydrophobicContact CB-CG 4.3Å; K38-E40 WeakPolarHBondContact CB-OE1 3.22Å; K38-E40 WeakPolarHBondContact CB-OE2 3.48Å; K38-E40 WeakPolarHBondContact CD-OE1 3.43Å; K38-E40 PolarHBondContact O-N 3.23Å
41L95.1Very high94Very high63 Ų6384.6 Ų84.633%0.3355%0.545SS..G310 helixtrans-90.1-6.6176.4-56.5178.6000112.8D18 I19 K38 V39 E43 A44D18-L41 HydrophobicContact CB-CD1 4.13Å; I19-L41 HydrophobicContact CD1-CD1 3.91Å; I19-L41 HydrophobicContact CG1-CD1 3.57Å; K38-L41 WeakPolarHBondContact O-CB 3.3Å; K38-L41 PolarHBondContact O-N 3.25Å; V39-L41 PolarHBondContact O-N 3.35Å; L41-E43 VanDerWaalsContact C-N 3.26Å; L41-E43 PolarHBondContact O-N 3.26Å; L41-A44 WeakPolarHBondContact O-CB 3.26Å; L41-A44 PolarHBondContact O-N 2.61Å
42A92.7Very high93.8Very high59 Ų5983.9 Ų83.949%0.48854%0.539SS..G310 helixtrans-63.3-31-172.800000113V39 A44 F45V39-A42 WeakPolarHBondContact O-CB 3Å; V39-A42 PolarHBondContact O-N 3.43Å; A42-A44 PolarHBondContact O-N 3.21Å; A42-F45 PolarHBondContact O-N 3.2Å
43E93.4Very high93.7Very high180 Ų18088.7 Ų88.784%0.84157%0.568SS**G310 helixtrans-62.6-23.618064.5176.5178.200113.4L41 F45L41-E43 VanDerWaalsContact C-N 3.26Å; L41-E43 PolarHBondContact O-N 3.26Å; E43-F45 PolarHBondContact O-N 3.02Å
44A93.1Very high93.6Very high74 Ų7493.8 Ų93.861%0.61258%0.575SS**G310 helixtrans-68.2-18.8174.700000113L41 A42L41-A44 WeakPolarHBondContact O-CB 3.26Å; L41-A44 PolarHBondContact O-N 2.61Å; A42-A44 PolarHBondContact O-N 3.21Å
45F89.4Confident93.4Very high103 Ų10394.1 Ų94.145%0.45258%0.583SS.*SBendtrans-110.955.6-175.6-72.9-85.6000112.7M35 A42 E43 S49 H50M35-F45 HydrophobicContact SD-CE2 4.35Å; M35-F45 HydrophobicContact SD-CZ 3.87Å; A42-F45 PolarHBondContact O-N 3.2Å; E43-F45 PolarHBondContact O-N 3.02Å; F45-S49 VanDerWaalsContact C-OG 3.23Å; F45-S49 VanDerWaalsContact CA-OG 3.28Å; F45-S49 WeakPolarHBondContact CA-OG 3.45Å; F45-H50 HydrophobicContact CD1-CB 3.86Å; F45-H50 HydrophobicContact CE1-CB 4Å
46G89.3Confident93.3Very high34 Ų3491.3 Ų91.335%0.35158%0.58SS.*  trans-62.9165.2173.900000113.9G48 S49G46-G48 PolarHBondContact O-N 3.41Å; G46-S49 PolarHBondContact N-OG 2.92Å; G46-S49 WeakPolarHBondContact O-CB 3.45Å; G46-S49 PolarHBondContact O-N 2.98Å; G46-S49 PolarHBondContact O-OG 2.83Å
47P92.1Very high93.4Very high149 Ų14990.8 Ų90.897%0.96858%0.578SS**THydrogen-bonded Turntrans-51.3126.6179.4-27.735.4000112.8S49P47-S49 VanDerWaalsContact C-N 3.35Å
48G91.7Very high93.5Very high84 Ų8495.4 Ų95.487%0.86659%0.591SS**THydrogen-bonded Turntrans85-6.3-179.700000115.9G46G46-G48 PolarHBondContact O-N 3.41Å
49S91.8Very high93.5Very high69 Ų6998.4 Ų98.448%0.48361%0.609SS.*SBendtrans-64.9-39.9176.858.80000113.5F45 G46 P47F45-S49 VanDerWaalsContact C-OG 3.23Å; F45-S49 VanDerWaalsContact CA-OG 3.28Å; F45-S49 WeakPolarHBondContact CA-OG 3.45Å; G46-S49 PolarHBondContact N-OG 2.92Å; G46-S49 WeakPolarHBondContact O-CB 3.45Å; G46-S49 PolarHBondContact O-N 2.98Å; G46-S49 PolarHBondContact O-OG 2.83Å; P47-S49 VanDerWaalsContact C-N 3.35Å
50H91.9Very high93.6Very high142 Ų14292.5 Ų92.566%0.65757%0.574SS**SBendtrans-143.3125-179.5-174.254000109.1F45F45-H50 HydrophobicContact CD1-CB 3.86Å; F45-H50 HydrophobicContact CE1-CB 4Å
51G89.5Confident93.7Very high67 Ų6790.6 Ų90.669%0.69157%0.565SS**  trans-158157.8-177.200000111.9
52T92.4Very high93.9Very high99 Ų9994.8 Ų94.861%0.60758%0.577SS**  trans-153.3144173.5167.30000108.4F54 G55T52-F54 PolarHBondContact O-N 2.98Å; T52-G55 VanDerWaalsContact CG2-CA 3.44Å; T52-G55 PolarHBondContact O-N 2.63Å
53T95.1Very high94.1Very high129 Ų12994 Ų9479%0.79157%0.566SS**THydrogen-bonded Turntrans-58.4-34.2-176.8-52.80000113.1
54F94.8Very high94.4Very high160 Ų16085.8 Ų85.870%0.70253%0.529SS*.THydrogen-bonded Turntrans-110.24.4-175.1-61.1-70.8000113.6T52 N57T52-F54 PolarHBondContact O-N 2.98Å; F54-N57 PolarHBondContact O-N 3.12Å; F54-N57 PolarHBondContact O-ND2 2.98Å
55G94.1Very high94.6Very high47 Ų4786.5 Ų86.549%0.48552%0.523SS..THydrogen-bonded Turntrans-66.9139.8178.100000111.5T52 N57T52-G55 VanDerWaalsContact CG2-CA 3.44Å; T52-G55 PolarHBondContact O-N 2.63Å; G55-N57 PolarHBondContact O-N 3.43Å
56G93.8Very high95Very high46 Ų4684.2 Ų84.247%0.47452%0.517SS..THydrogen-bonded Turntrans66.818.2179.800000114.4M61G56-M61 WeakPolarHBondContact O-CG 3.39Å
57N97.2Very high95.5Very high61 Ų6183.6 Ų83.633%0.32651%0.506SS..  trans-60.6141.3179.173.983.9000111.7F54 G55 L59 A60 M61F54-N57 PolarHBondContact O-N 3.12Å; F54-N57 PolarHBondContact O-ND2 2.98Å; G55-N57 PolarHBondContact O-N 3.43Å; N57-L59 VanDerWaalsContact C-N 3.28Å; N57-L59 PolarHBondContact O-N 3.4Å; N57-A60 WeakPolarHBondContact ND2-CB 3.43Å; N57-A60 PolarHBondContact O-N 3.06Å; N57-A60 VanDerWaalsContact O-N 3.15Å; N57-A60 VanDerWaalsContact OD1-CB 3.31Å; N57-A60 WeakPolarHBondContact OD1-CB 3.42Å; N57-A60 PolarHBondContact OD1-N 3.4Å; N57-M61 WeakPolarHBondContact O-CG 3.5Å; N57-M61 PolarHBondContact O-N 3.04Å
58N97.5Very high95.8Very high145 Ų14578.4 Ų78.478%0.77547%0.472SS*.Hα-helixtrans-57.4-37.1-170.2-67.4-6.8000113.8R62N58-R62 WeakPolarHBondContact O-CB 3.41Å; N58-R62 PolarHBondContact O-N 3.23Å
59L97.5Very high96.1Very high117 Ų11777.1 Ų77.161%0.61345%0.45SS*.Hα-helixtrans-65-52.3178.5176.361.5000110.8N57 M61 R62 V63N57-L59 VanDerWaalsContact C-N 3.28Å; N57-L59 PolarHBondContact O-N 3.4Å; L59-M61 VanDerWaalsContact C-N 3.3Å; L59-M61 PolarHBondContact O-N 3.27Å; L59-R62 PolarHBondContact O-N 3.4Å; L59-V63 HydrophobicContact CD1-CG2 4.28Å; L59-V63 WeakPolarHBondContact O-CG2 3.47Å; L59-V63 PolarHBondContact O-N 3.02Å
60A97.7Very high96.3Very high0 Ų080 Ų800%046%0.456CS..Hα-helixtrans-61.4-39.5178.800000111.8I30 V32 N57 A64I30-A60 HydrophobicContact CG2-CB 3.91Å; V32-A60 HydrophobicContact CB-CB 4.34Å; N57-A60 WeakPolarHBondContact ND2-CB 3.43Å; N57-A60 PolarHBondContact O-N 3.06Å; N57-A60 VanDerWaalsContact O-N 3.15Å; N57-A60 VanDerWaalsContact OD1-CB 3.31Å; N57-A60 WeakPolarHBondContact OD1-CB 3.42Å; N57-A60 PolarHBondContact OD1-N 3.4Å; A60-A64 WeakPolarHBondContact O-CB 3.49Å; A60-A64 PolarHBondContact O-N 3.37Å
61M98Very high96.6Very high74 Ų7474 Ų7437%0.36543%0.428SS..Hα-helixtrans-65.6-41.5177.5-64.9-57.393.100112.1V32 G56 N57 L59 A64 D65V32-M61 HydrophobicContact CG2-CE 3.46Å; V32-M61 VanDerWaalsContact CG2-CE 3.46Å; G56-M61 WeakPolarHBondContact O-CG 3.39Å; N57-M61 WeakPolarHBondContact O-CG 3.5Å; N57-M61 PolarHBondContact O-N 3.04Å; L59-M61 VanDerWaalsContact C-N 3.3Å; L59-M61 PolarHBondContact O-N 3.27Å; M61-A64 PolarHBondContact O-N 3.12Å; M61-D65 VanDerWaalsContact O-CB 3.31Å; M61-D65 WeakPolarHBondContact O-CB 3.25Å; M61-D65 PolarHBondContact O-N 3.43Å
62R98.4Very high97Very high151 Ų15174.7 Ų74.757%0.5742%0.416SS*.Hα-helixtrans-68.2-39.1178.4-176.958.3-175.6123.39.6112.7N58 L59 D65 T66N58-R62 WeakPolarHBondContact O-CB 3.41Å; N58-R62 PolarHBondContact O-N 3.23Å; L59-R62 PolarHBondContact O-N 3.4Å; R62-D65 IonicContact CZ-OD2 3.74Å; R62-D65 IonicContact NH1-OD2 2.73Å; R62-D65 PolarHBondContact NH1-OD2 3.25Å; R62-T66 PolarHBondContact NH1-OG1 2.76Å; R62-T66 PolarHBondContact O-N 3Å; R62-T66 VanDerWaalsContact O-N 3.17Å; R62-T66 PolarHBondContact O-OG1 3.48Å
63V98.4Very high97.2Very high42 Ų4273.6 Ų73.626%0.25540%0.404SS..Hα-helixtrans-66.3-42.9173.9177.30000110.2A27 I30 L59 T66 V67A27-V63 HydrophobicContact CB-CB 4.23Å; A27-V63 HydrophobicContact CB-CG1 3.84Å; I30-V63 HydrophobicContact CB-CG1 4.46Å; I30-V63 HydrophobicContact CG1-CB 4.37Å; I30-V63 HydrophobicContact CG1-CG1 4.02Å; I30-V63 HydrophobicContact CG1-CG2 4.22Å; L59-V63 HydrophobicContact CD1-CG2 4.28Å; L59-V63 WeakPolarHBondContact O-CG2 3.47Å; L59-V63 PolarHBondContact O-N 3.02Å; V63-T66 PolarHBondContact O-N 3.33Å; V63-V67 HydrophobicContact CG1-CG2 4.14Å; V63-V67 WeakPolarHBondContact O-CB 3.24Å; V63-V67 VanDerWaalsContact O-CG2 3.3Å; V63-V67 WeakPolarHBondContact O-CG2 3.44Å; V63-V67 PolarHBondContact O-N 2.89Å
64A98.4Very high97.4Very high8 Ų872 Ų727%0.06640%0.396CS..Hα-helixtrans-61.7-47.217900000112.4L26 A27 A60 M61 T66 V67 V68L26-A64 HydrophobicContact CD1-CB 4.04Å; L26-A64 HydrophobicContact CG-CB 4.1Å; L26-A64 WeakPolarHBondContact O-CA 3.31Å; A27-A64 HydrophobicContact CB-CB 4.14Å; A60-A64 WeakPolarHBondContact O-CB 3.49Å; A60-A64 PolarHBondContact O-N 3.37Å; M61-A64 PolarHBondContact O-N 3.12Å; A64-T66 VanDerWaalsContact C-N 3.34Å; A64-T66 PolarHBondContact O-N 3.36Å; A64-V67 PolarHBondContact O-N 3.23Å; A64-V68 VanDerWaalsContact O-CB 3.3Å; A64-V68 WeakPolarHBondContact O-CB 3.23Å; A64-V68 WeakPolarHBondContact O-CG2 3.48Å; A64-V68 PolarHBondContact O-N 3.29Å
65D98.3Very high97.5Very high90 Ų9070.4 Ų70.448%0.48139%0.39SS..Hα-helixtrans-53.1-51.3174.5175.860.9000111.3M61 R62 V67 V68 S69M61-D65 VanDerWaalsContact O-CB 3.31Å; M61-D65 WeakPolarHBondContact O-CB 3.25Å; M61-D65 PolarHBondContact O-N 3.43Å; R62-D65 IonicContact CZ-OD2 3.74Å; R62-D65 IonicContact NH1-OD2 2.73Å; R62-D65 PolarHBondContact NH1-OD2 3.25Å; D65-V67 PolarHBondContact O-N 3.39Å; D65-V68 PolarHBondContact O-N 3Å; D65-S69 PolarHBondContact O-N 3.44Å; D65-S69 PolarHBondContact O-OG 3.12Å; D65-S69 VanDerWaalsContact O-OG 3.06Å
66T98.4Very high97.7Very high54 Ų5470.2 Ų70.233%0.33138%0.376SS..Hα-helixtrans-60.1-50.4178.2-52.30000111.7R62 V63 A64 V68 S69 E70R62-T66 PolarHBondContact NH1-OG1 2.76Å; R62-T66 PolarHBondContact O-N 3Å; R62-T66 VanDerWaalsContact O-N 3.17Å; R62-T66 PolarHBondContact O-OG1 3.48Å; V63-T66 PolarHBondContact O-N 3.33Å; A64-T66 VanDerWaalsContact C-N 3.34Å; A64-T66 PolarHBondContact O-N 3.36Å; T66-V68 PolarHBondContact O-N 3.48Å; T66-S69 PolarHBondContact O-N 2.99Å; T66-E70 WeakPolarHBondContact O-CG 3.17Å; T66-E70 PolarHBondContact O-N 3.25Å
67V98.2Very high97.9Very high21 Ų2169 Ų6913%0.12736%0.359CS..Hα-helixtrans-64.9-39.7-177.6171.60000111.9A25 N28 V63 A64 D65 E70 I71A25-V67 WeakPolarHBondContact O-CG1 3.38Å; N28-V67 HydrophobicContact CB-CG1 4.11Å; N28-V67 HydrophobicContact CB-CG2 3.86Å; V63-V67 HydrophobicContact CG1-CG2 4.14Å; V63-V67 WeakPolarHBondContact O-CB 3.24Å; V63-V67 VanDerWaalsContact O-CG2 3.3Å; V63-V67 WeakPolarHBondContact O-CG2 3.44Å; V63-V67 PolarHBondContact O-N 2.89Å; A64-V67 PolarHBondContact O-N 3.23Å; D65-V67 PolarHBondContact O-N 3.39Å; V67-E70 PolarHBondContact O-N 3.01Å; V67-I71 HydrophobicContact CG1-CD1 3.63Å; V67-I71 HydrophobicContact CG1-CG1 4.33Å; V67-I71 WeakPolarHBondContact O-CB 3.47Å; V67-I71 WeakPolarHBondContact O-CG1 3.43Å; V67-I71 PolarHBondContact O-N 3.22Å
68V98.1Very high97.9Very high41 Ų4168.6 Ų68.625%0.24836%0.364CS..Hα-helixtrans-61.2-47.5175.11680000110M1 F7 L26 A64 D65 T66 E70 I71 N72M1-V68 HydrophobicContact CE-CB 4.29Å; M1-V68 HydrophobicContact CE-CG2 3.45Å; M1-V68 VanDerWaalsContact CE-CG2 3.45Å; F7-V68 HydrophobicContact CE2-CG1 4.48Å; F7-V68 HydrophobicContact CZ-CG1 4.01Å; L26-V68 HydrophobicContact CD1-CG2 3.84Å; A64-V68 VanDerWaalsContact O-CB 3.3Å; A64-V68 WeakPolarHBondContact O-CB 3.23Å; A64-V68 WeakPolarHBondContact O-CG2 3.48Å; A64-V68 PolarHBondContact O-N 3.29Å; D65-V68 PolarHBondContact O-N 3Å; T66-V68 PolarHBondContact O-N 3.48Å; V68-E70 VanDerWaalsContact C-N 3.34Å; V68-E70 PolarHBondContact O-N 3.39Å; V68-I71 PolarHBondContact O-N 3.01Å; V68-N72 WeakPolarHBondContact O-CB 3.43Å; V68-N72 PolarHBondContact O-N 2.9Å
69S97.9Very high98Very high57 Ų5766.1 Ų66.140%0.39935%0.348SS..Hα-helixtrans-59.5-43.5178.3-62.50000112.3D65 T66 Q73D65-S69 PolarHBondContact O-N 3.44Å; D65-S69 PolarHBondContact O-OG 3.12Å; D65-S69 VanDerWaalsContact O-OG 3.06Å; T66-S69 PolarHBondContact O-N 2.99Å; S69-Q73 PolarHBondContact O-NE2 2.63Å
70E97.5Very high98Very high130 Ų13060.7 Ų60.761%0.60732%0.319SS*.Hα-helixtrans-66.5-42.8178.4-66.2-63.9153.100112.3T66 V67 V68T66-E70 WeakPolarHBondContact O-CG 3.17Å; T66-E70 PolarHBondContact O-N 3.25Å; V67-E70 PolarHBondContact O-N 3.01Å; V68-E70 VanDerWaalsContact C-N 3.34Å; V68-E70 PolarHBondContact O-N 3.39Å
71I97.9Very high98Very high16 Ų1662.7 Ų62.78%0.08234%0.336CS..Hα-helixtrans-74.3-34.2-178.1-67.9173.9000111.8F7 V67 V68 Q73 F76 L77F7-I71 HydrophobicContact CD2-CG2 4.12Å; F7-I71 HydrophobicContact CE2-CG2 4.13Å; V67-I71 HydrophobicContact CG1-CD1 3.63Å; V67-I71 HydrophobicContact CG1-CG1 4.33Å; V67-I71 WeakPolarHBondContact O-CB 3.47Å; V67-I71 WeakPolarHBondContact O-CG1 3.43Å; V67-I71 PolarHBondContact O-N 3.22Å; V68-I71 PolarHBondContact O-N 3.01Å; I71-Q73 PolarHBondContact O-N 3.45Å; I71-F76 HydrophobicContact CG1-CE1 4.31Å; I71-F76 HydrophobicContact CG2-CE1 4.49Å; I71-L77 HydrophobicContact CG2-CD2 4.36Å; I71-L77 WeakPolarHBondContact O-CD2 3.45Å
72N96.7Very high98Very high81 Ų8164 Ų6443%0.43335%0.348SS..THydrogen-bonded Turntrans-82.832.7-174.7-161.934.7000113.3F7 V68F7-N72 HydrophobicContact CD2-CB 3.8Å; F7-N72 WeakPolarHBondContact CD2-OD1 3.5Å; F7-N72 HydrophobicContact CE2-CB 3.65Å; F7-N72 WeakPolarHBondContact CG-OD1 3.4Å; F7-N72 HydrophobicContact CZ-CB 4.33Å; V68-N72 WeakPolarHBondContact O-CB 3.43Å; V68-N72 PolarHBondContact O-N 2.9Å
73Q98.2Very high98Very high76 Ų7657.5 Ų57.536%0.35532%0.324SS..  trans-96130.2172.1-60.2-52.8-39.700109.9S69 I71 E75 F76 L77S69-Q73 PolarHBondContact O-NE2 2.63Å; I71-Q73 PolarHBondContact O-N 3.45Å; Q73-E75 VanDerWaalsContact C-N 3.27Å; Q73-E75 HydrophobicContact CB-CG 4.37Å; Q73-E75 PolarHBondContact O-N 3.39Å; Q73-F76 HydrophobicContact CB-CB 4.02Å; Q73-F76 WeakPolarHBondContact O-CB 3.37Å; Q73-F76 PolarHBondContact O-N 3.25Å; Q73-F76 VanDerWaalsContact O-N 3.1Å; Q73-L77 WeakPolarHBondContact O-CG 3.2Å; Q73-L77 PolarHBondContact O-N 2.85Å
74P97.6Very high98Very high95 Ų9555.6 Ų55.662%0.61731%0.313SS*.Hα-helixtrans-53.2-42.2-179.5-2835.3000113.6L77 A78P74-L77 PolarHBondContact O-N 2.9Å; P74-A78 WeakPolarHBondContact O-CB 3.33Å; P74-A78 PolarHBondContact O-N 3.07Å
75E98Very high98Very high126 Ų12660.1 Ų60.159%0.58933%0.332SS*.Hα-helixtrans-64.8-39.9178.560.6-85.2-157.100112.4Q73 A78 E79Q73-E75 VanDerWaalsContact C-N 3.27Å; Q73-E75 HydrophobicContact CB-CG 4.37Å; Q73-E75 PolarHBondContact O-N 3.39Å; E75-A78 PolarHBondContact O-N 3.4Å; E75-E79 WeakPolarHBondContact O-CB 3.43Å; E75-E79 PolarHBondContact O-N 2.92Å
76F98.1Very high98Very high43 Ų4358.9 Ų58.919%0.18932%0.321CS..Hα-helixtrans-66.5-44.8177.8-174.4-86.6000110.8I71 Q73 E79 V80 L149 T150I71-F76 HydrophobicContact CG1-CE1 4.31Å; I71-F76 HydrophobicContact CG2-CE1 4.49Å; Q73-F76 HydrophobicContact CB-CB 4.02Å; Q73-F76 WeakPolarHBondContact O-CB 3.37Å; Q73-F76 PolarHBondContact O-N 3.25Å; Q73-F76 VanDerWaalsContact O-N 3.1Å; F76-E79 PolarHBondContact O-N 3.09Å; F76-V80 HydrophobicContact CD1-CG2 4.24Å; F76-V80 HydrophobicContact CE1-CG2 3.94Å; F76-V80 WeakPolarHBondContact O-CG2 3.15Å; F76-V80 PolarHBondContact O-N 3.45Å; F76-L149 HydrophobicContact CE1-CB 3.96Å; F76-L149 HydrophobicContact CE1-CD1 3.98Å; F76-L149 HydrophobicContact CZ-CB 3.74Å; F76-L149 HydrophobicContact CZ-CD1 4.45Å; F76-T150 HydrophobicContact CE2-CG2 4.45Å
77L98.3Very high98Very high21 Ų2156.7 Ų56.711%0.1131%0.308CS..Hα-helixtrans-64.4-41.3177.4-64.6175.9000111.8F7 I71 Q73 P74 V80 A81F7-L77 HydrophobicContact CB-CD1 4.07Å; I71-L77 HydrophobicContact CG2-CD2 4.36Å; I71-L77 WeakPolarHBondContact O-CD2 3.45Å; Q73-L77 WeakPolarHBondContact O-CG 3.2Å; Q73-L77 PolarHBondContact O-N 2.85Å; P74-L77 PolarHBondContact O-N 2.9Å; L77-V80 PolarHBondContact O-N 2.71Å; L77-A81 PolarHBondContact O-N 2.73Å
78A97.7Very high98Very high53 Ų5357 Ų5744%0.43831%0.309SS..Hα-helixtrans-61.8-4317500000111.6P74 E75 V80 A81 V82P74-A78 WeakPolarHBondContact O-CB 3.33Å; P74-A78 PolarHBondContact O-N 3.07Å; E75-A78 PolarHBondContact O-N 3.4Å; A78-V80 PolarHBondContact O-N 2.88Å; A78-A81 WeakPolarHBondContact O-CB 3.31Å; A78-A81 PolarHBondContact O-N 3.25Å; A78-V82 WeakPolarHBondContact O-CG2 3.39Å; A78-V82 PolarHBondContact O-N 3.26Å
79E98Very high98Very high93 Ų9358.3 Ų58.344%0.43531%0.314SS..Hα-helixtrans-61.2-43.2175.8-173.9-178.217800111.7E75 F76 A81 V82 K83E75-E79 WeakPolarHBondContact O-CB 3.43Å; E75-E79 PolarHBondContact O-N 2.92Å; F76-E79 PolarHBondContact O-N 3.09Å; E79-A81 VanDerWaalsContact C-N 3.31Å; E79-A81 PolarHBondContact O-N 3.1Å; E79-V82 PolarHBondContact O-N 3.36Å; E79-K83 HydrophobicContact CG-CD 4.19Å; E79-K83 WeakPolarHBondContact O-CB 3.46Å; E79-K83 WeakPolarHBondContact O-CG 3.4Å; E79-K83 PolarHBondContact O-N 3.44Å; E79-K83 WeakPolarHBondContact OE1-CE 3.42Å; E79-K83 IonicContact OE1-NZ 2.72Å; E79-K83 PolarHBondContact OE1-NZ 3.1Å
80V98.4Very high97.9Very high2 Ų258.1 Ų58.11%0.01231%0.307CS..Hα-helixtrans-61.9-39.9174.9173.40000111.6G2 F76 L77 A78 G84 L109 L149G2-V80 VanDerWaalsContact O-CG1 3.29Å; G2-V80 WeakPolarHBondContact O-CG1 3.35Å; F76-V80 HydrophobicContact CD1-CG2 4.24Å; F76-V80 HydrophobicContact CE1-CG2 3.94Å; F76-V80 WeakPolarHBondContact O-CG2 3.15Å; F76-V80 PolarHBondContact O-N 3.45Å; L77-V80 PolarHBondContact O-N 2.71Å; A78-V80 PolarHBondContact O-N 2.88Å; V80-G84 PolarHBondContact O-N 3.37Å; V80-L109 HydrophobicContact CG1-CB 4.48Å; V80-L109 HydrophobicContact CG1-CD1 4.11Å; V80-L109 HydrophobicContact CG1-CG 4.14Å; V80-L149 HydrophobicContact CG1-CD2 4.16Å; V80-L149 HydrophobicContact CG2-CB 4.04Å; V80-L149 HydrophobicContact CG2-CD2 4.28Å
81A97.7Very high97.9Very high42 Ų4251.9 Ų51.935%0.34728%0.278SS..Hα-helixtrans-63.4-46.9176.800000111.4L77 A78 E79 G84 Q85L77-A81 PolarHBondContact O-N 2.73Å; A78-A81 WeakPolarHBondContact O-CB 3.31Å; A78-A81 PolarHBondContact O-N 3.25Å; E79-A81 VanDerWaalsContact C-N 3.31Å; E79-A81 PolarHBondContact O-N 3.1Å; A81-G84 PolarHBondContact O-N 2.92Å; A81-Q85 PolarHBondContact O-N 2.93Å
82V98.2Very high97.9Very high102 Ų10254.4 Ų54.462%0.61829%0.291SS*.Hα-helixtrans-61.5-50.3178.2170.40000111.4A78 E79 G84 Q85 Y86A78-V82 WeakPolarHBondContact O-CG2 3.39Å; A78-V82 PolarHBondContact O-N 3.26Å; E79-V82 PolarHBondContact O-N 3.36Å; V82-G84 VanDerWaalsContact C-N 3.29Å; V82-G84 PolarHBondContact O-N 3.43Å; V82-Q85 PolarHBondContact O-N 3.33Å; V82-Y86 PolarHBondContact O-N 3.19Å
83K98.6Very high97.9Very high15 Ų1555.3 Ų55.37%0.06529%0.291CS..Hα-helixtrans-60.5-40177.2-73.9177.6-174.4169.20112.2E79 L87 L109 I151 L156E79-K83 HydrophobicContact CG-CD 4.19Å; E79-K83 WeakPolarHBondContact O-CB 3.46Å; E79-K83 WeakPolarHBondContact O-CG 3.4Å; E79-K83 PolarHBondContact O-N 3.44Å; E79-K83 WeakPolarHBondContact OE1-CE 3.42Å; E79-K83 IonicContact OE1-NZ 2.72Å; E79-K83 PolarHBondContact OE1-NZ 3.1Å; K83-L87 WeakPolarHBondContact O-CB 3.31Å; K83-L87 PolarHBondContact O-N 3.47Å; K83-L109 HydrophobicContact CB-CD2 4.1Å; K83-I151 HydrophobicContact CD-CG2 4.48Å; K83-I151 WeakPolarHBondContact CD-O 3.49Å; K83-I151 VanDerWaalsContact CE-O 3.22Å; K83-I151 WeakPolarHBondContact CE-O 3.46Å; K83-I151 PolarHBondContact NZ-O 3.41Å; K83-L156 HydrophobicContact CB-CD1 3.79Å; K83-L156 HydrophobicContact CD-CD1 4.09Å; K83-L156 HydrophobicContact CG-CD1 3.9Å
84G98.3Very high97.6Very high2 Ų252 Ų522%0.02128%0.275CS..Hα-helixtrans-62.9-44176.600000113V80 A81 V82 L87 L88 G108V80-G84 PolarHBondContact O-N 3.37Å; A81-G84 PolarHBondContact O-N 2.92Å; V82-G84 VanDerWaalsContact C-N 3.29Å; V82-G84 PolarHBondContact O-N 3.43Å; G84-L87 PolarHBondContact O-N 3.34Å; G84-L88 WeakPolarHBondContact O-CB 3.49Å; G84-L88 PolarHBondContact O-N 2.98Å; G84-G108 VanDerWaalsContact CA-C 3.42Å; G84-G108 WeakPolarHBondContact CA-O 3.36Å
85Q98.1Very high97.3Very high102 Ų10249.2 Ų49.248%0.47726%0.259SS..Hα-helixtrans-64.3-46.9176.9-170.361.551.700111.2A81 V82 L87 L88 D89A81-Q85 PolarHBondContact O-N 2.93Å; V82-Q85 PolarHBondContact O-N 3.33Å; Q85-L87 VanDerWaalsContact C-N 3.34Å; Q85-L87 PolarHBondContact O-N 2.99Å; Q85-L88 PolarHBondContact O-N 3.38Å; Q85-L88 VanDerWaalsContact O-N 3.16Å; Q85-D89 PolarHBondContact NE2-OD1 3.16Å; Q85-D89 WeakPolarHBondContact O-CB 3.41Å; Q85-D89 PolarHBondContact O-N 3.33Å
86Y98.2Very high97.1Very high64 Ų6450.5 Ų50.525%0.25127%0.265SS..Hα-helixtrans-54.7-49.4174.7169-99.4000112V82 L88 D89 E90 Q153 L156 T157 L160V82-Y86 PolarHBondContact O-N 3.19Å; Y86-L88 VanDerWaalsContact C-N 3.31Å; Y86-L88 PolarHBondContact O-N 2.92Å; Y86-D89 PolarHBondContact O-N 3.03Å; Y86-E90 HydrophobicContact CD2-CG 4.14Å; Y86-E90 HydrophobicContact CE1-CG 4.3Å; Y86-E90 HydrophobicContact CE2-CG 3.66Å; Y86-E90 WeakPolarHBondContact O-CG 3.29Å; Y86-E90 PolarHBondContact O-N 3.31Å; Y86-Q153 VanDerWaalsContact CZ-NE2 3.28Å; Y86-L156 HydrophobicContact CE1-CB 4.47Å; Y86-T157 PolarHBondContact OH-OG1 2.96Å; Y86-T157 VanDerWaalsContact OH-OG1 3.08Å; Y86-L160 HydrophobicContact CD1-CD1 4.41Å; Y86-L160 HydrophobicContact CE1-CD1 3.58Å
87L98.3Very high96.9Very high8 Ų855.4 Ų55.44%0.04229%0.286CS..Hα-helixtrans-58.5-44.4178.1175.862.7000111.6K83 G84 Q85 L91 L109 V111 L156 L160K83-L87 WeakPolarHBondContact O-CB 3.31Å; K83-L87 PolarHBondContact O-N 3.47Å; G84-L87 PolarHBondContact O-N 3.34Å; Q85-L87 VanDerWaalsContact C-N 3.34Å; Q85-L87 PolarHBondContact O-N 2.99Å; L87-L91 HydrophobicContact CD1-CD1 3.82Å; L87-L91 HydrophobicContact CD1-CG 4.21Å; L87-L91 HydrophobicContact CG-CD1 3.97Å; L87-L91 WeakPolarHBondContact O-CB 3.47Å; L87-L91 WeakPolarHBondContact O-CD1 3.49Å; L87-L91 WeakPolarHBondContact O-CG 3.22Å; L87-L91 PolarHBondContact O-N 3.06Å; L87-L91 VanDerWaalsContact O-N 3.12Å; L87-L109 HydrophobicContact CD2-CD2 4.19Å; L87-V111 HydrophobicContact CD2-CB 4.48Å; L87-V111 HydrophobicContact CD2-CG2 3.84Å; L87-V111 HydrophobicContact CG-CG2 4.25Å; L87-L156 HydrophobicContact CD1-CD2 4.39Å; L87-L156 HydrophobicContact CD2-CD2 4.35Å; L87-L160 HydrophobicContact CD1-CD1 4.34Å; L87-L160 HydrophobicContact CD1-CD2 3.81Å; L87-L160 HydrophobicContact CD1-CG 4.01Å
88L97.9Very high96.9Very high28 Ų2854.8 Ų54.815%0.14728%0.283CS..Hα-helixtrans-65.6-45.3-179.5-170.966.3000111.6G84 Q85 Y86 E90 L91 I92 I104 V111G84-L88 WeakPolarHBondContact O-CB 3.49Å; G84-L88 PolarHBondContact O-N 2.98Å; Q85-L88 PolarHBondContact O-N 3.38Å; Q85-L88 VanDerWaalsContact O-N 3.16Å; Y86-L88 VanDerWaalsContact C-N 3.31Å; Y86-L88 PolarHBondContact O-N 2.92Å; L88-E90 PolarHBondContact O-N 3.04Å; L88-L91 PolarHBondContact O-N 3.5Å; L88-I92 HydrophobicContact CG-CD1 4.01Å; L88-I92 VanDerWaalsContact O-CG1 3.31Å; L88-I92 WeakPolarHBondContact O-CG1 3.46Å; L88-I92 PolarHBondContact O-N 3.36Å; L88-I104 HydrophobicContact CD1-CG2 3.8Å; L88-V111 HydrophobicContact CD1-CG1 4.25Å
89D97.6Very high96.8Very high68 Ų6861.2 Ų61.236%0.36430%0.304SS..Hα-helixtrans-62.1-44-179.5-67.4-17.9000111.8Q85 Y86 I92 K93Q85-D89 PolarHBondContact NE2-OD1 3.16Å; Q85-D89 WeakPolarHBondContact O-CB 3.41Å; Q85-D89 PolarHBondContact O-N 3.33Å; Y86-D89 PolarHBondContact O-N 3.03Å; D89-I92 PolarHBondContact O-N 3.16Å; D89-K93 WeakPolarHBondContact O-CG 3.4Å; D89-K93 PolarHBondContact O-N 2.94Å
90E97.5Very high96.7Very high53 Ų5358.8 Ų58.825%0.24829%0.292CS..Hα-helixtrans-66.3-38.2177.6-69.6-54.7126.400112.3Y86 L88 K93 L94 L160Y86-E90 HydrophobicContact CD2-CG 4.14Å; Y86-E90 HydrophobicContact CE1-CG 4.3Å; Y86-E90 HydrophobicContact CE2-CG 3.66Å; Y86-E90 WeakPolarHBondContact O-CG 3.29Å; Y86-E90 PolarHBondContact O-N 3.31Å; L88-E90 PolarHBondContact O-N 3.04Å; E90-K93 PolarHBondContact O-N 2.84Å; E90-K93 IonicContact OE1-NZ 3.96Å; E90-K93 PolarHBondContact OE1-NZ 3.49Å; E90-K93 IonicContact OE2-NZ 3.77Å; E90-L94 PolarHBondContact O-N 2.95Å; E90-L160 HydrophobicContact CB-CD1 3.65Å; E90-L160 HydrophobicContact CB-CD2 3.88Å; E90-L160 HydrophobicContact CB-CG 4.41Å; E90-L160 HydrophobicContact CG-CD1 3.9Å
91L97.8Very high96.7Very high0 Ų059.4 Ų59.40%030%0.296CS..Hα-helixtrans-68.3-38.6175.9-74.6175000112L87 L88 K93 L94 S95 I104 V111 I113 L145 L160 I163L87-L91 HydrophobicContact CD1-CD1 3.82Å; L87-L91 HydrophobicContact CD1-CG 4.21Å; L87-L91 HydrophobicContact CG-CD1 3.97Å; L87-L91 WeakPolarHBondContact O-CB 3.47Å; L87-L91 WeakPolarHBondContact O-CD1 3.49Å; L87-L91 WeakPolarHBondContact O-CG 3.22Å; L87-L91 PolarHBondContact O-N 3.06Å; L87-L91 VanDerWaalsContact O-N 3.12Å; L88-L91 PolarHBondContact O-N 3.5Å; L91-K93 VanDerWaalsContact C-N 3.3Å; L91-K93 PolarHBondContact O-N 2.94Å; L91-L94 HydrophobicContact CD2-CD2 4.14Å; L91-L94 WeakPolarHBondContact O-CA 3.04Å; L91-L94 VanDerWaalsContact O-CB 3.26Å; L91-L94 WeakPolarHBondContact O-CB 3.3Å; L91-L94 PolarHBondContact O-N 3.16Å; L91-S95 PolarHBondContact O-N 2.92Å; L91-I104 VanDerWaalsContact C-CD1 3.42Å; L91-I104 HydrophobicContact CB-CD1 3.79Å; L91-I104 HydrophobicContact CB-CG2 4.04Å; L91-I104 WeakPolarHBondContact O-CD1 3.47Å; L91-V111 HydrophobicContact CD1-CG1 3.69Å; L91-I113 HydrophobicContact CD1-CD1 4.09Å; L91-I113 HydrophobicContact CD1-CG1 4.36Å; L91-I113 HydrophobicContact CD2-CD1 3.69Å; L91-I113 HydrophobicContact CG-CD1 4.46Å; L91-L145 HydrophobicContact CD1-CD1 3.73Å; L91-L160 HydrophobicContact CD2-CD2 3.71Å; L91-L160 HydrophobicContact CG-CD2 3.78Å; L91-I163 HydrophobicContact CD2-CG2 4Å
92I96.8Very high96.7Very high68 Ų6862.5 Ų62.535%0.34931%0.306SS..Hα-helixtrans-59.4-43.6175.7-72.5165.6000110.5L88 D89 L94 S95 E96L88-I92 HydrophobicContact CG-CD1 4.01Å; L88-I92 VanDerWaalsContact O-CG1 3.31Å; L88-I92 WeakPolarHBondContact O-CG1 3.46Å; L88-I92 PolarHBondContact O-N 3.36Å; D89-I92 PolarHBondContact O-N 3.16Å; I92-L94 PolarHBondContact O-N 2.93Å; I92-S95 WeakPolarHBondContact O-CB 3.15Å; I92-S95 PolarHBondContact O-N 3.44Å; I92-S95 PolarHBondContact O-OG 3.41Å; I92-E96 PolarHBondContact O-N 3.01Å
93K95.9Very high96.6Very high101 Ų10161 Ų6144%0.43930%0.295SS..Hα-helixtrans-60.2-30.7174.9-64.6168.9-168.8171.60113.1D89 E90 L91D89-K93 WeakPolarHBondContact O-CG 3.4Å; D89-K93 PolarHBondContact O-N 2.94Å; E90-K93 PolarHBondContact O-N 2.84Å; E90-K93 IonicContact OE1-NZ 3.96Å; E90-K93 PolarHBondContact OE1-NZ 3.49Å; E90-K93 IonicContact OE2-NZ 3.77Å; L91-K93 VanDerWaalsContact C-N 3.3Å; L91-K93 PolarHBondContact O-N 2.94Å
94L92.3Very high96.6Very high5 Ų561.1 Ų61.13%0.02630%0.296CS..Hα-helixtrans-70.1-40173.2167.567.5000111.5E90 L91 I92 E96 K97 S98 I163 N164 L167 L168E90-L94 PolarHBondContact O-N 2.95Å; L91-L94 HydrophobicContact CD2-CD2 4.14Å; L91-L94 WeakPolarHBondContact O-CA 3.04Å; L91-L94 VanDerWaalsContact O-CB 3.26Å; L91-L94 WeakPolarHBondContact O-CB 3.3Å; L91-L94 PolarHBondContact O-N 3.16Å; I92-L94 PolarHBondContact O-N 2.93Å; L94-E96 PolarHBondContact O-N 3.4Å; L94-K97 PolarHBondContact O-N 3.36Å; L94-S98 PolarHBondContact O-N 3.1Å; L94-I163 HydrophobicContact CD2-CG2 3.9Å; L94-N164 WeakPolarHBondContact CD1-OD1 3.34Å; L94-N164 VanDerWaalsContact CD2-OD1 3.3Å; L94-N164 WeakPolarHBondContact CD2-OD1 3.36Å; L94-L167 HydrophobicContact CD1-CB 4.28Å; L94-L167 HydrophobicContact CD2-CB 4.11Å; L94-L167 HydrophobicContact CD2-CD1 3.7Å; L94-L167 HydrophobicContact CD2-CG 4.49Å; L94-L168 HydrophobicContact CD1-CD1 4Å; L94-L168 HydrophobicContact CD1-CD2 3.52Å; L94-L168 HydrophobicContact CD1-CG 3.48Å; L94-L168 VanDerWaalsContact CD1-CG 3.48Å
95S92.2Very high96.5Very high38 Ų3866 Ų6627%0.26631%0.313SS..Hα-helixtrans-58.8-34.5-178.773.30000112.8L91 I92 K97 S98L91-S95 PolarHBondContact O-N 2.92Å; I92-S95 WeakPolarHBondContact O-CB 3.15Å; I92-S95 PolarHBondContact O-N 3.44Å; I92-S95 PolarHBondContact O-OG 3.41Å; S95-K97 PolarHBondContact O-N 2.81Å; S95-K97 VanDerWaalsContact O-N 3.12Å; S95-S98 PolarHBondContact O-N 2.66Å
96E93Very high96.5Very high153 Ų15363 Ų6372%0.71531%0.31SS*.THydrogen-bonded Turntrans-65-15.9177.8-62.7176.2167.700113.6I92 L94I92-E96 PolarHBondContact O-N 3.01Å; L94-E96 PolarHBondContact O-N 3.4Å
97K95Very high96.4Very high146 Ų14663.2 Ų63.264%0.63531%0.312SS*.THydrogen-bonded Turntrans-115.8-6.5-171.9-61174.5-172.11730113.7L94 S95 L168L94-K97 PolarHBondContact O-N 3.36Å; S95-K97 PolarHBondContact O-N 2.81Å; S95-K97 VanDerWaalsContact O-N 3.12Å; K97-L168 HydrophobicContact CB-CD2 3.58Å
98S96.7Very high96.4Very high8 Ų863.3 Ų63.36%0.05632%0.315CS..  trans-125.2111-170.8158.20000111.1L94 S95 K100 V101 L167L94-S98 PolarHBondContact O-N 3.1Å; S95-S98 PolarHBondContact O-N 2.66Å; S98-K100 PolarHBondContact O-N 3.2Å; S98-K100 PolarHBondContact OG-N 2.77Å; S98-V101 PolarHBondContact O-N 2.92Å; S98-V101 WeakPolarHBondContact OG-CG2 3.3Å; S98-L167 PolarHBondContact OG-O 2.62Å; S98-L167 VanDerWaalsContact OG-O 3.12Å
99E95.8Very high96.5Very high187 Ų18762 Ų6287%0.87431%0.308SS*.THydrogen-bonded Turntrans-62.4-15.3174.2-60.9-173.716900113.7V101 N116E99-V101 VanDerWaalsContact C-N 3.31Å; E99-N116 PolarHBondContact O-ND2 3.06Å
100K97.1Very high96.5Very high42 Ų4263.2 Ų63.218%0.18331%0.313CS..THydrogen-bonded Turntrans-72.6-24.3174.8-63.2178.2-171.6167.30112.9S98 L115 N116 T120 V166 K169S98-K100 PolarHBondContact O-N 3.2Å; S98-K100 PolarHBondContact OG-N 2.77Å; K100-L115 HydrophobicContact CB-CD2 4.43Å; K100-L115 CarbonylContact O-C 3.17Å; K100-L115 WeakPolarHBondContact O-CA 3.45Å; K100-L115 WeakPolarHBondContact O-CD2 3.26Å; K100-N116 PolarHBondContact O-N 2.85Å; K100-T120 HydrophobicContact CB-CG2 4.02Å; K100-T120 HydrophobicContact CD-CG2 4Å; K100-T120 HydrophobicContact CG-CG2 3.99Å; K100-V166 PolarHBondContact NZ-O 3.18Å; K100-K169 WeakPolarHBondContact CE-OXT 3.28Å; K100-K169 PolarHBondContact NZ-OXT 3.21Å
101V98.1Very high96.5Very high15 Ų1560.9 Ų60.99%0.09130%0.302CS..EExtended strand (participates in β ladder)trans-99.7123.4-170.9177.10000109.3S98 E99 I104 I113 L115 L167S98-V101 PolarHBondContact O-N 2.92Å; S98-V101 WeakPolarHBondContact OG-CG2 3.3Å; E99-V101 VanDerWaalsContact C-N 3.31Å; V101-I104 HydrophobicContact CG1-CD1 3.98Å; V101-I104 HydrophobicContact CG1-CG1 3.74Å; V101-I113 HydrophobicContact CB-CG2 4.5Å; V101-I113 HydrophobicContact CG1-CG2 3.88Å; V101-I113 HydrophobicContact CG2-CG2 3.87Å; V101-L115 HydrophobicContact CG2-CD2 3.89Å; V101-L167 HydrophobicContact CG2-CD1 4.05Å
102L97.2Very high96.6Very high107 Ų10761.4 Ų61.456%0.5631%0.307SS*.EExtended strand (participates in β ladder)trans-94.7-39178.1-63.1-175.5000112.7E114 N116L102-E114 HydrophobicContact CB-CB 4.46Å; L102-E114 HydrophobicContact CB-CG 4.24Å; L102-E114 HydrophobicContact CD1-CG 4.42Å; L102-E114 PolarHBondContact N-O 3.18Å; L102-N116 HydrophobicContact CD2-CB 4.11Å; L102-N116 HydrophobicContact CG-CB 4.23Å
103D97.1Very high96.7Very high71 Ų7158.1 Ų58.138%0.3829%0.291SS..EExtended strand (participates in β ladder)trans-158.2152.7-176.2-178.939.7000110.6R105 E114D103-R105 IonicContact OD2-CZ 2.87Å; D103-R105 IonicContact OD2-NH1 3.3Å; D103-R105 PolarHBondContact OD2-NH1 2.81Å; D103-E114 HydrophobicContact CB-CB 4.13Å; D103-E114 PolarHBondContact O-N 3.25Å
104I97.9Very high96.8Very high17 Ų1755.6 Ų55.69%0.08728%0.28CS..EExtended strand (participates in β ladder)trans-132.7125.9173.4-58.4-170.6000108.8L88 L91 V101 V111 I113L88-I104 HydrophobicContact CD1-CG2 3.8Å; L91-I104 VanDerWaalsContact C-CD1 3.42Å; L91-I104 HydrophobicContact CB-CD1 3.79Å; L91-I104 HydrophobicContact CB-CG2 4.04Å; L91-I104 WeakPolarHBondContact O-CD1 3.47Å; V101-I104 HydrophobicContact CG1-CD1 3.98Å; V101-I104 HydrophobicContact CG1-CG1 3.74Å; I104-V111 HydrophobicContact CG2-CG1 4.17Å; I104-I113 HydrophobicContact CD1-CG1 4.42Å; I104-I113 HydrophobicContact CD1-CG2 4.35Å; I104-I113 HydrophobicContact CG1-CG1 4.46Å; I104-I113 HydrophobicContact CG1-CG2 4.2Å
105R97.1Very high97.1Very high104 Ų10455.3 Ų55.339%0.39228%0.279SS..EExtended strand (participates in β ladder)trans-142147.6-177.457.6-172.8172.3-87.65.4111.2D103 G112 E114D103-R105 IonicContact OD2-CZ 2.87Å; D103-R105 IonicContact OD2-NH1 3.3Å; D103-R105 PolarHBondContact OD2-NH1 2.81Å; R105-G112 PolarHBondContact N-O 2.89Å; R105-G112 PolarHBondContact O-N 3.44Å; R105-E114 IonicContact CZ-OE2 3.95Å; R105-E114 VanDerWaalsContact CZ-OE2 3.3Å; R105-E114 IonicContact NH1-OE2 2.75Å; R105-E114 PolarHBondContact NH1-OE2 3.49Å; R105-E114 IonicContact NH2-OE2 2.78Å; R105-E114 PolarHBondContact NH2-OE2 2.98Å
106G97Very high97.3Very high39 Ų3957.1 Ų57.140%0.40229%0.286SS..EExtended strand (participates in β ladder)trans178.3173.2178.400000113.7M110G106-M110 CarbonylContact C-O 3.55Å; G106-M110 WeakPolarHBondContact CA-O 3.16Å
107K97Very high97.6Very high69 Ų6951.2 Ų51.230%0.326%0.261SS..EExtended strand (participates in β ladder)trans-148.6129.5171.8-165.7170.8-172.1158.30109.1T4 L109 M110T4-K107 HydrophobicContact CG2-CB 4.26Å; T4-K107 HydrophobicContact CG2-CG 4.46Å; K107-L109 PolarHBondContact O-N 2.97Å; K107-M110 PolarHBondContact N-O 3.05Å; K107-M110 PolarHBondContact O-N 3.26Å
108G97.9Very high97.7Very high10 Ų1046.2 Ų46.210%0.10324%0.244CC..THydrogen-bonded Turntrans54.4-137.5-169.900000111.1G84 M110G84-G108 VanDerWaalsContact CA-C 3.42Å; G84-G108 WeakPolarHBondContact CA-O 3.36Å; G108-M110 PolarHBondContact O-N 3.05Å
109L98.6Very high97.8Very high0 Ų051.3 Ų51.30%027%0.267CS..THydrogen-bonded Turntrans-8930.6178.1-68.2172.9000112.7R3 V80 K83 L87 K107 P147 L149 I151 L156R3-L109 VanDerWaalsContact CD-O 3.31Å; R3-L109 WeakPolarHBondContact CD-O 3.31Å; R3-L109 VanDerWaalsContact NH1-CB 3.27Å; R3-L109 PolarHBondContact NH1-O 2.69Å; R3-L109 PolarHBondContact O-N 3.09Å; V80-L109 HydrophobicContact CG1-CB 4.48Å; V80-L109 HydrophobicContact CG1-CD1 4.11Å; V80-L109 HydrophobicContact CG1-CG 4.14Å; K83-L109 HydrophobicContact CB-CD2 4.1Å; L87-L109 HydrophobicContact CD2-CD2 4.19Å; K107-L109 PolarHBondContact O-N 2.97Å; L109-P147 HydrophobicContact CB-CG 4.2Å; L109-P147 HydrophobicContact CD2-CG 4.01Å; L109-L149 HydrophobicContact CB-CD2 4.41Å; L109-L149 HydrophobicContact CD1-CD2 4.18Å; L109-I151 HydrophobicContact CD1-CG2 4.03Å; L109-L156 HydrophobicContact CD2-CD2 4.32Å
110M98.4Very high97.9Very high95 Ų9543.4 Ų43.447%0.46823%0.231SC..EExtended strand (participates in β ladder)trans-117.1100.2169.9179.7164.5176.500108.9R3 G106 K107 G108 L146R3-M110 HydrophobicContact CG-CB 3.78Å; R3-M110 HydrophobicContact CG-SD 4.34Å; G106-M110 CarbonylContact C-O 3.55Å; G106-M110 WeakPolarHBondContact CA-O 3.16Å; K107-M110 PolarHBondContact N-O 3.05Å; K107-M110 PolarHBondContact O-N 3.26Å; G108-M110 PolarHBondContact O-N 3.05Å; M110-L146 HydrophobicContact CB-CD2 4.1Å; M110-L146 HydrophobicContact CG-CD2 3.91Å; M110-L146 HydrophobicContact SD-CD2 4.49Å
111V98.4Very high98Very high4 Ų441.6 Ų41.62%0.02422%0.223CC..EExtended strand (participates in β ladder)trans-125.1140.6-174.8-176.50000110.3L87 L88 L91 I104 L145L87-V111 HydrophobicContact CD2-CB 4.48Å; L87-V111 HydrophobicContact CD2-CG2 3.84Å; L87-V111 HydrophobicContact CG-CG2 4.25Å; L88-V111 HydrophobicContact CD1-CG1 4.25Å; L91-V111 HydrophobicContact CD1-CG1 3.69Å; I104-V111 HydrophobicContact CG2-CG1 4.17Å; V111-L145 HydrophobicContact CB-CB 4.31Å; V111-L145 PolarHBondContact N-O 3.21Å; V111-L145 PolarHBondContact O-N 3.34Å
112G98.5Very high98Very high10 Ų1047.1 Ų47.110%0.10325%0.248CC..EExtended strand (participates in β ladder)trans-121.3133.6171.600000110.6R105 L143R105-G112 PolarHBondContact N-O 2.89Å; R105-G112 PolarHBondContact O-N 3.44Å; G112-L143 WeakPolarHBondContact CA-O 3.38Å
113I98.6Very high98Very high0 Ų047.8 Ų47.80%025%0.248CC..EExtended strand (participates in β ladder)trans-110.9110.5172.2-54.1173.9000106.7L91 V101 I104 L115 V142 L143 L145 I163 L167L91-I113 HydrophobicContact CD1-CD1 4.09Å; L91-I113 HydrophobicContact CD1-CG1 4.36Å; L91-I113 HydrophobicContact CD2-CD1 3.69Å; L91-I113 HydrophobicContact CG-CD1 4.46Å; V101-I113 HydrophobicContact CB-CG2 4.5Å; V101-I113 HydrophobicContact CG1-CG2 3.88Å; V101-I113 HydrophobicContact CG2-CG2 3.87Å; I104-I113 HydrophobicContact CD1-CG1 4.42Å; I104-I113 HydrophobicContact CD1-CG2 4.35Å; I104-I113 HydrophobicContact CG1-CG1 4.46Å; I104-I113 HydrophobicContact CG1-CG2 4.2Å; I113-L115 HydrophobicContact CG2-CD2 3.97Å; I113-V142 CarbonylContact O-C 3.44Å; I113-V142 WeakPolarHBondContact O-CA 3.33Å; I113-L143 HydrophobicContact CB-CB 4.3Å; I113-L143 HydrophobicContact CD1-CD2 4.38Å; I113-L143 PolarHBondContact N-O 2.83Å; I113-L143 PolarHBondContact O-N 2.9Å; I113-L145 HydrophobicContact CD1-CD1 4.01Å; I113-I163 HydrophobicContact CD1-CG2 4.25Å; I113-L167 HydrophobicContact CD1-CD1 4.27Å; I113-L167 HydrophobicContact CG2-CD1 4.28Å
114E98.4Very high98.1Very high47 Ų4744.5 Ų44.522%0.2223%0.231CC..EExtended strand (participates in β ladder)trans-80.6125.9176.3-172.7163.6169.200110.3L102 D103 R105 N141 V142L102-E114 HydrophobicContact CB-CB 4.46Å; L102-E114 HydrophobicContact CB-CG 4.24Å; L102-E114 HydrophobicContact CD1-CG 4.42Å; L102-E114 PolarHBondContact N-O 3.18Å; D103-E114 HydrophobicContact CB-CB 4.13Å; D103-E114 PolarHBondContact O-N 3.25Å; R105-E114 IonicContact CZ-OE2 3.95Å; R105-E114 VanDerWaalsContact CZ-OE2 3.3Å; R105-E114 IonicContact NH1-OE2 2.75Å; R105-E114 PolarHBondContact NH1-OE2 3.49Å; R105-E114 IonicContact NH2-OE2 2.78Å; R105-E114 PolarHBondContact NH2-OE2 2.98Å; E114-N141 WeakPolarHBondContact CG-ND2 3.46Å; E114-N141 PolarHBondContact OE1-ND2 3.34Å; E114-V142 HydrophobicContact CB-CG2 4.27Å; E114-V142 HydrophobicContact CG-CG2 4.29Å
115L98.5Very high98.1Very high0 Ų045.5 Ų45.50%024%0.236CC..EExtended strand (participates in β ladder)trans-105.7157-178.2-59.7175.7000111.1K100 V101 I113 S117 T120 L121 T124 N141 L143 L167K100-L115 HydrophobicContact CB-CD2 4.43Å; K100-L115 CarbonylContact O-C 3.17Å; K100-L115 WeakPolarHBondContact O-CA 3.45Å; K100-L115 WeakPolarHBondContact O-CD2 3.26Å; V101-L115 HydrophobicContact CG2-CD2 3.89Å; I113-L115 HydrophobicContact CG2-CD2 3.97Å; L115-S117 PolarHBondContact O-N 2.81Å; L115-S117 VanDerWaalsContact O-N 3.09Å; L115-T120 HydrophobicContact CB-CG2 4.32Å; L115-T120 HydrophobicContact CD1-CG2 4.45Å; L115-L121 HydrophobicContact CD1-CB 4.02Å; L115-L121 HydrophobicContact CD1-CD1 3.89Å; L115-T124 HydrophobicContact CD1-CG2 4.21Å; L115-N141 PolarHBondContact N-O 3.43Å; L115-N141 WeakPolarHBondContact O-CB 3.31Å; L115-N141 PolarHBondContact O-ND2 2.99Å; L115-L143 HydrophobicContact CD1-CB 4.47Å; L115-L167 HydrophobicContact CD1-CD2 4.5Å; L115-L167 HydrophobicContact CD2-CD2 3.78Å
116N97.4Very high98.2Very high76 Ų7645.4 Ų45.441%0.40624%0.24SC..SBendtrans-62.7-20.1-173.565.27.3000115E99 K100 L102 T120E99-N116 PolarHBondContact O-ND2 3.06Å; K100-N116 PolarHBondContact O-N 2.85Å; L102-N116 HydrophobicContact CD2-CB 4.11Å; L102-N116 HydrophobicContact CG-CB 4.23Å; N116-T120 WeakPolarHBondContact OD1-CB 3.49Å; N116-T120 WeakPolarHBondContact OD1-CG2 3.47Å; N116-T120 PolarHBondContact OD1-OG1 2.72Å
117S98.1Very high98.2Very high28 Ų2846.3 Ų46.320%0.19623%0.234CC..  trans-156.2160.417677.20000113.6L115 E119 T120 L121L115-S117 PolarHBondContact O-N 2.81Å; L115-S117 VanDerWaalsContact O-N 3.09Å; S117-E119 VanDerWaalsContact CB-OE2 3.31Å; S117-E119 WeakPolarHBondContact CB-OE2 3.39Å; S117-E119 PolarHBondContact O-N 2.8Å; S117-E119 PolarHBondContact OG-N 2.82Å; S117-E119 PolarHBondContact OG-OE2 2.72Å; S117-T120 PolarHBondContact O-N 2.93Å; S117-T120 WeakPolarHBondContact OG-CB 3.41Å; S117-T120 PolarHBondContact OG-N 3.49Å; S117-T120 PolarHBondContact OG-OG1 3.2Å; S117-L121 PolarHBondContact O-N 2.89Å; S117-L121 VanDerWaalsContact O-N 3.1Å
118P98.4Very high98.3Very high42 Ų4243 Ų4327%0.27322%0.219SC..Hα-helixtrans-57.2-35.7168.9-23.633.6000113.6L121 Q122 K140P118-L121 WeakPolarHBondContact O-CB 3.19Å; P118-L121 PolarHBondContact O-N 3.3Å; P118-Q122 PolarHBondContact O-N 3.48Å; P118-K140 HydrophobicContact CG-CD 4.36Å; P118-K140 HydrophobicContact CG-CG 3.72Å
119E98.3Very high98.3Very high115 Ų11548.5 Ų48.554%0.53724%0.24SC..Hα-helixtrans-68-45.6-179.2-62.770.6-152.100110.3S117 L121 Q122 Q123S117-E119 VanDerWaalsContact CB-OE2 3.31Å; S117-E119 WeakPolarHBondContact CB-OE2 3.39Å; S117-E119 PolarHBondContact O-N 2.8Å; S117-E119 PolarHBondContact OG-N 2.82Å; S117-E119 PolarHBondContact OG-OE2 2.72Å; E119-L121 VanDerWaalsContact C-N 3.28Å; E119-L121 PolarHBondContact O-N 2.91Å; E119-Q122 PolarHBondContact O-N 3.44Å; E119-Q122 VanDerWaalsContact O-N 3.16Å; E119-Q123 WeakPolarHBondContact O-CG 3.42Å; E119-Q123 PolarHBondContact O-N 3.25Å
120T98.1Very high98.3Very high20 Ų2053.9 Ų53.912%0.12327%0.273CS..Hα-helixtrans-59.4-41.4173.8-59.70000110.7K100 L115 N116 S117 Q123 T124K100-T120 HydrophobicContact CB-CG2 4.02Å; K100-T120 HydrophobicContact CD-CG2 4Å; K100-T120 HydrophobicContact CG-CG2 3.99Å; L115-T120 HydrophobicContact CB-CG2 4.32Å; L115-T120 HydrophobicContact CD1-CG2 4.45Å; N116-T120 WeakPolarHBondContact OD1-CB 3.49Å; N116-T120 WeakPolarHBondContact OD1-CG2 3.47Å; N116-T120 PolarHBondContact OD1-OG1 2.72Å; S117-T120 PolarHBondContact O-N 2.93Å; S117-T120 WeakPolarHBondContact OG-CB 3.41Å; S117-T120 PolarHBondContact OG-N 3.49Å; S117-T120 PolarHBondContact OG-OG1 3.2Å; T120-Q123 PolarHBondContact O-N 2.82Å; T120-T124 VanDerWaalsContact O-CB 3.25Å; T120-T124 WeakPolarHBondContact O-CB 3.34Å; T120-T124 PolarHBondContact O-N 3.41Å; T120-T124 PolarHBondContact O-OG1 3.36Å
121L98.5Very high98.3Very high4 Ų453.5 Ų53.52%0.02127%0.27CS..Hα-helixtrans-61.4-45.9174.3173.865.3000112.4L115 S117 P118 E119 T124 I125 K137 L143L115-L121 HydrophobicContact CD1-CB 4.02Å; L115-L121 HydrophobicContact CD1-CD1 3.89Å; S117-L121 PolarHBondContact O-N 2.89Å; S117-L121 VanDerWaalsContact O-N 3.1Å; P118-L121 WeakPolarHBondContact O-CB 3.19Å; P118-L121 PolarHBondContact O-N 3.3Å; E119-L121 VanDerWaalsContact C-N 3.28Å; E119-L121 PolarHBondContact O-N 2.91Å; L121-T124 PolarHBondContact O-N 3.06Å; L121-I125 HydrophobicContact CD1-CD1 3.83Å; L121-I125 HydrophobicContact CD1-CG1 4.11Å; L121-I125 HydrophobicContact CG-CD1 4Å; L121-I125 WeakPolarHBondContact O-CG1 3.46Å; L121-I125 PolarHBondContact O-N 2.99Å; L121-K137 HydrophobicContact CD2-CB 3.68Å; L121-K137 HydrophobicContact CG-CB 4.49Å; L121-L143 HydrophobicContact CD1-CB 3.72Å; L121-L143 HydrophobicContact CD1-CD1 4.01Å
122Q98.3Very high98.2Very high131 Ų13160.5 Ų60.561%0.61231%0.307SS*.Hα-helixtrans-62.1-45.6179.8-1761760.200111.3P118 E119 I125 Q126P118-Q122 PolarHBondContact O-N 3.48Å; E119-Q122 PolarHBondContact O-N 3.44Å; E119-Q122 VanDerWaalsContact O-N 3.16Å; Q122-I125 PolarHBondContact O-N 3.02Å; Q122-Q126 WeakPolarHBondContact O-CG 3.39Å; Q122-Q126 PolarHBondContact O-N 3.45Å; Q122-Q126 VanDerWaalsContact O-N 3.16Å
123Q98.1Very high98.2Very high121 Ų12161.2 Ų61.257%0.56531%0.309SS*.Hα-helixtrans-61-47.6175.9-71.1174.6-8.400111.2E119 T120 I125 Q126 E127E119-Q123 WeakPolarHBondContact O-CG 3.42Å; E119-Q123 PolarHBondContact O-N 3.25Å; T120-Q123 PolarHBondContact O-N 2.82Å; Q123-I125 VanDerWaalsContact C-N 3.35Å; Q123-I125 PolarHBondContact O-N 3.28Å; Q123-Q126 PolarHBondContact O-N 3.41Å; Q123-Q126 VanDerWaalsContact O-N 3.09Å; Q123-E127 PolarHBondContact O-N 2.78Å
124T98.3Very high98.2Very high3 Ų368.6 Ų68.62%0.01835%0.347CS..Hα-helixtrans-55.3-48.3177.2-61.10000111.3L115 T120 L121 Q126 E127 L128 L143 V166 L167L115-T124 HydrophobicContact CD1-CG2 4.21Å; T120-T124 VanDerWaalsContact O-CB 3.25Å; T120-T124 WeakPolarHBondContact O-CB 3.34Å; T120-T124 PolarHBondContact O-N 3.41Å; T120-T124 PolarHBondContact O-OG1 3.36Å; L121-T124 PolarHBondContact O-N 3.06Å; T124-Q126 VanDerWaalsContact C-N 3.31Å; T124-Q126 PolarHBondContact O-N 3.44Å; T124-E127 PolarHBondContact O-N 2.97Å; T124-L128 HydrophobicContact CG2-CD1 3.91Å; T124-L128 HydrophobicContact CG2-CG 4.26Å; T124-L128 WeakPolarHBondContact O-CB 3.38Å; T124-L128 VanDerWaalsContact O-CG 3.23Å; T124-L128 WeakPolarHBondContact O-CG 3.31Å; T124-L128 PolarHBondContact O-N 2.88Å; T124-L143 HydrophobicContact CG2-CD2 4.11Å; T124-V166 HydrophobicContact CG2-CG1 3.93Å; T124-L167 HydrophobicContact CG2-CD2 3.78Å
125I98.4Very high98.2Very high37 Ų3767 Ų6719%0.1934%0.342CS..Hα-helixtrans-60.7-39.8178.6-71.8171.4000111.7L121 Q122 Q123 K129 K137 L143L121-I125 HydrophobicContact CD1-CD1 3.83Å; L121-I125 HydrophobicContact CD1-CG1 4.11Å; L121-I125 HydrophobicContact CG-CD1 4Å; L121-I125 WeakPolarHBondContact O-CG1 3.46Å; L121-I125 PolarHBondContact O-N 2.99Å; Q122-I125 PolarHBondContact O-N 3.02Å; Q123-I125 VanDerWaalsContact C-N 3.35Å; Q123-I125 PolarHBondContact O-N 3.28Å; I125-K129 WeakPolarHBondContact O-CB 3.14Å; I125-K129 PolarHBondContact O-N 2.85Å; I125-K137 HydrophobicContact CD1-CB 4.09Å; I125-L143 HydrophobicContact CD1-CD1 4.25Å; I125-L143 HydrophobicContact CG1-CD1 3.6Å
126Q98.3Very high98.1Very high102 Ų10271.3 Ų71.348%0.47736%0.364SS..Hα-helixtrans-67.3-43.6177.4-65.2-54.8-34.500111.7Q122 Q123 T124 K129 V130Q122-Q126 WeakPolarHBondContact O-CG 3.39Å; Q122-Q126 PolarHBondContact O-N 3.45Å; Q122-Q126 VanDerWaalsContact O-N 3.16Å; Q123-Q126 PolarHBondContact O-N 3.41Å; Q123-Q126 VanDerWaalsContact O-N 3.09Å; T124-Q126 VanDerWaalsContact C-N 3.31Å; T124-Q126 PolarHBondContact O-N 3.44Å; Q126-K129 WeakPolarHBondContact O-CB 3.3Å; Q126-K129 PolarHBondContact O-N 2.82Å; Q126-V130 WeakPolarHBondContact O-CG2 3.21Å; Q126-V130 PolarHBondContact O-N 2.97Å
127E98.4Very high98.1Very high58 Ų5874.3 Ų74.327%0.27137%0.374SS..Hα-helixtrans-64-43.3178-72.7-170.6-141.200112.2Q123 T124 K129 V130 Q131 V166 K169Q123-E127 PolarHBondContact O-N 2.78Å; T124-E127 PolarHBondContact O-N 2.97Å; E127-K129 VanDerWaalsContact C-N 3.29Å; E127-K129 PolarHBondContact O-N 3.26Å; E127-V130 PolarHBondContact O-N 3.01Å; E127-Q131 WeakPolarHBondContact O-CG 3.2Å; E127-Q131 PolarHBondContact O-N 3.32Å; E127-V166 HydrophobicContact CB-CB 4.48Å; E127-V166 HydrophobicContact CB-CG1 3.7Å; E127-V166 HydrophobicContact CB-CG2 3.9Å; E127-K169 IonicContact OE2-NZ 2.67Å; E127-K169 PolarHBondContact OE2-NZ 3.43Å
128L98.5Very high98.1Very high0 Ų074.4 Ų74.40%038%0.377CS..Hα-helixtrans-58.9-42.7174.2-68.1174.1000111.2T124 V130 Q131 N132 L133 A135 L143 I162 I163 V166T124-L128 HydrophobicContact CG2-CD1 3.91Å; T124-L128 HydrophobicContact CG2-CG 4.26Å; T124-L128 WeakPolarHBondContact O-CB 3.38Å; T124-L128 VanDerWaalsContact O-CG 3.23Å; T124-L128 WeakPolarHBondContact O-CG 3.31Å; T124-L128 PolarHBondContact O-N 2.88Å; L128-V130 PolarHBondContact O-N 2.87Å; L128-Q131 CarbonylContact O-C 3.58Å; L128-Q131 WeakPolarHBondContact O-CA 2.87Å; L128-Q131 PolarHBondContact O-N 3.22Å; L128-Q131 VanDerWaalsContact O-N 3.08Å; L128-N132 PolarHBondContact O-N 2.66Å; L128-L133 CarbonylContact C-O 3.34Å; L128-L133 HydrophobicContact CB-CB 4.34Å; L128-L133 HydrophobicContact CB-CD2 4.14Å; L128-L133 WeakPolarHBondContact CB-O 3.42Å; L128-L133 HydrophobicContact CD1-CD2 4.03Å; L128-L133 HydrophobicContact CD2-CD2 4.15Å; L128-L133 HydrophobicContact CG-CD2 4.33Å; L128-L133 PolarHBondContact O-N 3.03Å; L128-A135 HydrophobicContact CD1-CB 4.16Å; L128-L143 HydrophobicContact CD1-CD1 4.06Å; L128-L143 HydrophobicContact CD1-CD2 3.65Å; L128-L143 HydrophobicContact CD1-CG 4.49Å; L128-I162 HydrophobicContact CD2-CG2 3.84Å; L128-I163 HydrophobicContact CD2-CG1 4.08Å; L128-V166 HydrophobicContact CD2-CB 4.05Å; L128-V166 HydrophobicContact CD2-CG1 4.42Å; L128-V166 HydrophobicContact CD2-CG2 3.82Å; L128-V166 HydrophobicContact CG-CG1 4.45Å; L128-V166 HydrophobicContact CG-CG2 4.41Å
129K98.2Very high97.9Very high125 Ų12575.7 Ų75.754%0.54340%0.397SS..Hα-helixtrans-62.1-41.5177.4-175.6-177.5177.2-173.50112.1I125 Q126 E127 Q131 N132 L133 L134I125-K129 WeakPolarHBondContact O-CB 3.14Å; I125-K129 PolarHBondContact O-N 2.85Å; Q126-K129 WeakPolarHBondContact O-CB 3.3Å; Q126-K129 PolarHBondContact O-N 2.82Å; E127-K129 VanDerWaalsContact C-N 3.29Å; E127-K129 PolarHBondContact O-N 3.26Å; K129-Q131 PolarHBondContact O-N 2.83Å; K129-N132 PolarHBondContact O-N 3.12Å; K129-L133 PolarHBondContact N-O 2.94Å; K129-L134 HydrophobicContact CG-CD2 4.26Å
130V98.1Very high97.8Very high113 Ų11377.7 Ų77.769%0.68540%0.404SS*.Hα-helixtrans-61.6-34.3174.81710000111.1Q126 E127 L128 N132Q126-V130 WeakPolarHBondContact O-CG2 3.21Å; Q126-V130 PolarHBondContact O-N 2.97Å; E127-V130 PolarHBondContact O-N 3.01Å; L128-V130 PolarHBondContact O-N 2.87Å; V130-N132 PolarHBondContact O-N 2.78Å
131Q97.9Very high97.8Very high88 Ų8877.9 Ų77.941%0.41140%0.404SS..THydrogen-bonded Turntrans-83.212.1174.5-61.4-66.6-14.200113.6E127 L128 K129 L133 I162E127-Q131 WeakPolarHBondContact O-CG 3.2Å; E127-Q131 PolarHBondContact O-N 3.32Å; L128-Q131 CarbonylContact O-C 3.58Å; L128-Q131 WeakPolarHBondContact O-CA 2.87Å; L128-Q131 PolarHBondContact O-N 3.22Å; L128-Q131 VanDerWaalsContact O-N 3.08Å; K129-Q131 PolarHBondContact O-N 2.83Å; Q131-L133 VanDerWaalsContact C-N 3.3Å; Q131-L133 PolarHBondContact O-N 3.22Å; Q131-I162 HydrophobicContact CB-CG2 3.53Å; Q131-I162 HydrophobicContact CG-CG2 4.29Å
132N97.7Very high97.8Very high150 Ų15078.4 Ų78.480%0.80241%0.408SS*.THydrogen-bonded Turntrans63.725.3-179.3-54.6-70.3000115.3L128 K129 V130L128-N132 PolarHBondContact O-N 2.66Å; K129-N132 PolarHBondContact O-N 3.12Å; V130-N132 PolarHBondContact O-N 2.78Å
133L98.4Very high97.9Very high26 Ų2672.2 Ų72.214%0.13638%0.379CS..  trans-107.3116.6170.3-170.4141.9000110.7L128 K129 Q131 A135 G159 I162 I163L128-L133 CarbonylContact C-O 3.34Å; L128-L133 HydrophobicContact CB-CB 4.34Å; L128-L133 HydrophobicContact CB-CD2 4.14Å; L128-L133 WeakPolarHBondContact CB-O 3.42Å; L128-L133 HydrophobicContact CD1-CD2 4.03Å; L128-L133 HydrophobicContact CD2-CD2 4.15Å; L128-L133 HydrophobicContact CG-CD2 4.33Å; L128-L133 PolarHBondContact O-N 3.03Å; K129-L133 PolarHBondContact N-O 2.94Å; Q131-L133 VanDerWaalsContact C-N 3.3Å; Q131-L133 PolarHBondContact O-N 3.22Å; L133-A135 HydrophobicContact CD2-CB 3.94Å; L133-G159 WeakPolarHBondContact CD1-O 3.42Å; L133-I162 HydrophobicContact CB-CD1 4.31Å; L133-I162 HydrophobicContact CB-CG2 3.82Å; L133-I162 HydrophobicContact CD1-CB 4.16Å; L133-I162 HydrophobicContact CD1-CD1 4.41Å; L133-I162 HydrophobicContact CD1-CG2 4.19Å; L133-I163 HydrophobicContact CD1-CD1 4.35Å; L133-I163 HydrophobicContact CD1-CG1 4.17Å; L133-I163 HydrophobicContact CD2-CG1 4.4Å
134L98.4Very high97.9Very high154 Ų15470.6 Ų70.681%0.80637%0.368SS*.  trans-89.5114.7176.6-63.9179.7000110.4K129K129-L134 HydrophobicContact CG-CD2 4.26Å
135A97.9Very high97.9Very high13 Ų1371.1 Ų71.111%0.10737%0.37CS..  trans-133.5156.9170.100000109.6L128 L133 L143 L145L128-A135 HydrophobicContact CD1-CB 4.16Å; L133-A135 HydrophobicContact CD2-CB 3.94Å; A135-L143 HydrophobicContact CB-CD1 3.66Å; A135-L143 HydrophobicContact CB-CG 4.28Å; A135-L145 HydrophobicContact CB-CD2 4.06Å
136I97Very high97.9Very high92 Ų9273 Ų7347%0.47238%0.38SS..EExtended strand (participates in β ladder)trans-129.2158.9-174.660-174.4000110.3R144I136-R144 WeakPolarHBondContact O-CA 3.49Å; I136-R144 VanDerWaalsContact O-CB 3.3Å; I136-R144 WeakPolarHBondContact O-CB 3.23Å; I136-R144 PolarHBondContact O-N 2.96Å
137K98Very high97.9Very high138 Ų13869.1 Ų69.160%0.636%0.364SS*.EExtended strand (participates in β ladder)trans-72.6154.6175.567.7176.1-175.8179.30113L121 I125 V142L121-K137 HydrophobicContact CD2-CB 3.68Å; L121-K137 HydrophobicContact CG-CB 4.49Å; I125-K137 HydrophobicContact CD1-CB 4.09Å; K137-V142 CarbonylContact C-O 3.41Å; K137-V142 WeakPolarHBondContact CA-O 3.41Å
138A96.9Very high97.8Very high31 Ų3170.1 Ų70.126%0.25638%0.375SS..EExtended strand (participates in β ladder)trans-129.8140.2156.200000109.2V142 R144A138-V142 HydrophobicContact CB-CB 4.42Å; A138-V142 PolarHBondContact N-O 3.17Å; A138-V142 VanDerWaalsContact O-CB 3.26Å; A138-V142 WeakPolarHBondContact O-CB 3.21Å; A138-V142 PolarHBondContact O-N 2.75Å; A138-R144 HydrophobicContact CB-CB 3.87Å; A138-R144 HydrophobicContact CB-CG 4.45Å
139G95.2Very high97.8Very high69 Ų6971.1 Ų71.171%0.71138%0.381SS*.THydrogen-bonded Turntrans56.8-143.4-178.100000113.3
140K95.9Very high97.8Very high157 Ų15770.2 Ų70.268%0.68339%0.386SS*.THydrogen-bonded Turntrans-80.5-49.9-173.4178.7175.5179-170.30112.9P118P118-K140 HydrophobicContact CG-CD 4.36Å; P118-K140 HydrophobicContact CG-CG 3.72Å
141N98.3Very high97.8Very high23 Ų2365.8 Ų65.812%0.12336%0.358CS..THydrogen-bonded Turntrans-141.421.4-16658.6-35000112.5E114 L115E114-N141 WeakPolarHBondContact CG-ND2 3.46Å; E114-N141 PolarHBondContact OE1-ND2 3.34Å; L115-N141 PolarHBondContact N-O 3.43Å; L115-N141 WeakPolarHBondContact O-CB 3.31Å; L115-N141 PolarHBondContact O-ND2 2.99Å
142V98.7Very high97.8Very high16 Ų1663.6 Ų63.610%0.09735%0.353CS..EExtended strand (participates in β ladder)trans-102.8124.7179.5-173.50000111.2I113 E114 K137 A138I113-V142 CarbonylContact O-C 3.44Å; I113-V142 WeakPolarHBondContact O-CA 3.33Å; E114-V142 HydrophobicContact CB-CG2 4.27Å; E114-V142 HydrophobicContact CG-CG2 4.29Å; K137-V142 CarbonylContact C-O 3.41Å; K137-V142 WeakPolarHBondContact CA-O 3.41Å; A138-V142 HydrophobicContact CB-CB 4.42Å; A138-V142 PolarHBondContact N-O 3.17Å; A138-V142 VanDerWaalsContact O-CB 3.26Å; A138-V142 WeakPolarHBondContact O-CB 3.21Å; A138-V142 PolarHBondContact O-N 2.75Å
143L98.7Very high97.8Very high0 Ų060.5 Ų60.50%033%0.333CS..EExtended strand (participates in β ladder)trans-78.8118.5165.6-176.669.9000108.6G112 I113 L115 L121 T124 I125 L128 A135 L145G112-L143 WeakPolarHBondContact CA-O 3.38Å; I113-L143 HydrophobicContact CB-CB 4.3Å; I113-L143 HydrophobicContact CD1-CD2 4.38Å; I113-L143 PolarHBondContact N-O 2.83Å; I113-L143 PolarHBondContact O-N 2.9Å; L115-L143 HydrophobicContact CD1-CB 4.47Å; L121-L143 HydrophobicContact CD1-CB 3.72Å; L121-L143 HydrophobicContact CD1-CD1 4.01Å; T124-L143 HydrophobicContact CG2-CD2 4.11Å; I125-L143 HydrophobicContact CD1-CD1 4.25Å; I125-L143 HydrophobicContact CG1-CD1 3.6Å; L128-L143 HydrophobicContact CD1-CD1 4.06Å; L128-L143 HydrophobicContact CD1-CD2 3.65Å; L128-L143 HydrophobicContact CD1-CG 4.49Å; A135-L143 HydrophobicContact CB-CD1 3.66Å; A135-L143 HydrophobicContact CB-CG 4.28Å; L143-L145 HydrophobicContact CD2-CD2 4.38Å; L143-L145 HydrophobicContact CG-CD2 4.39Å
144R98.6Very high97.8Very high87 Ų8766.9 Ų66.933%0.32836%0.362SS..EExtended strand (participates in β ladder)trans-99.6124.6-177.1177174.662.2-178.7-4110.8I136 A138 L146I136-R144 WeakPolarHBondContact O-CA 3.49Å; I136-R144 VanDerWaalsContact O-CB 3.3Å; I136-R144 WeakPolarHBondContact O-CB 3.23Å; I136-R144 PolarHBondContact O-N 2.96Å; A138-R144 HydrophobicContact CB-CB 3.87Å; A138-R144 HydrophobicContact CB-CG 4.45Å; R144-L146 HydrophobicContact CG-CD1 4Å; R144-L146 HydrophobicContact CG-CG 3.88Å
145L98.5Very high97.8Very high14 Ų1464.7 Ų64.77%0.07335%0.348CS..EExtended strand (participates in β ladder)trans-106.3120.2175.6-54-179.9000109.7L91 V111 I113 A135 L143 I163L91-L145 HydrophobicContact CD1-CD1 3.73Å; V111-L145 HydrophobicContact CB-CB 4.31Å; V111-L145 PolarHBondContact N-O 3.21Å; V111-L145 PolarHBondContact O-N 3.34Å; I113-L145 HydrophobicContact CD1-CD1 4.01Å; A135-L145 HydrophobicContact CB-CD2 4.06Å; L143-L145 HydrophobicContact CD2-CD2 4.38Å; L143-L145 HydrophobicContact CG-CD2 4.39Å; L145-I163 HydrophobicContact CD1-CD1 3.92Å; L145-I163 HydrophobicContact CD2-CD1 4.11Å
146L97.8Very high97.8Very high76 Ų7664.4 Ų64.440%0.39834%0.344SS..  trans-138.161.1179-69.2174.1000110.1M110 R144M110-L146 HydrophobicContact CB-CD2 4.1Å; M110-L146 HydrophobicContact CG-CD2 3.91Å; M110-L146 HydrophobicContact SD-CD2 4.49Å; R144-L146 HydrophobicContact CG-CD1 4Å; R144-L146 HydrophobicContact CG-CG 3.88Å
147P98.1Very high97.8Very high21 Ų2162.1 Ų62.114%0.13634%0.335CS..  trans-59.5159178.327.4-35.2000111.1R3 L109 I151R3-P147 PolarHBondContact NH1-O 3.44Å; R3-P147 PolarHBondContact NH2-O 3.18Å; L109-P147 HydrophobicContact CB-CG 4.2Å; L109-P147 HydrophobicContact CD2-CG 4.01Å; P147-I151 HydrophobicContact CB-CB 4.25Å; P147-I151 HydrophobicContact CB-CD1 3.51Å; P147-I151 HydrophobicContact CB-CG1 4.46Å; P147-I151 HydrophobicContact CB-CG2 4.13Å; P147-I151 HydrophobicContact CG-CD1 4.42Å; P147-I151 HydrophobicContact CG-CG2 4.42Å
148P97.5Very high97.9Very high79 Ų7962 Ų6251%0.51333%0.334SS..  trans-57.4149.5171.226-32.8000110.4T150 I151P148-T150 PolarHBondContact O-N 2.9Å; P148-I151 HydrophobicContact CG-CB 4.15Å; P148-I151 VanDerWaalsContact O-CB 3.31Å; P148-I151 WeakPolarHBondContact O-CB 3.45Å; P148-I151 VanDerWaalsContact O-CG2 3.24Å; P148-I151 WeakPolarHBondContact O-CG2 3.4Å; P148-I151 PolarHBondContact O-N 3.17Å; P148-I151 VanDerWaalsContact O-N 3.1Å
149L98.1Very high97.9Very high22 Ų2261.1 Ų61.112%0.11533%0.329CS..THydrogen-bonded Turntrans-65.3-24.8179.3-58.7-174000112.1F76 V80 L109 I151F76-L149 HydrophobicContact CE1-CB 3.96Å; F76-L149 HydrophobicContact CE1-CD1 3.98Å; F76-L149 HydrophobicContact CZ-CB 3.74Å; F76-L149 HydrophobicContact CZ-CD1 4.45Å; V80-L149 HydrophobicContact CG1-CD2 4.16Å; V80-L149 HydrophobicContact CG2-CB 4.04Å; V80-L149 HydrophobicContact CG2-CD2 4.28Å; L109-L149 HydrophobicContact CB-CD2 4.41Å; L109-L149 HydrophobicContact CD1-CD2 4.18Å; L149-I151 VanDerWaalsContact C-N 3.26Å; L149-I151 PolarHBondContact O-N 2.84Å
150T97.5Very high98.1Very high105 Ų10558.1 Ų58.164%0.64430%0.297SS*.THydrogen-bonded Turntrans-82.33.3176.858.30000113.6F76 P148 S152F76-T150 HydrophobicContact CE2-CG2 4.45Å; P148-T150 PolarHBondContact O-N 2.9Å; T150-S152 PolarHBondContact O-N 2.82Å
151I98.4Very high98.2Very high20 Ų2056.4 Ų56.410%0.10329%0.291CS..  trans-55132.9-179.9-167.4167.6000110.2K83 L109 P147 P148 L149 E155 L156K83-I151 HydrophobicContact CD-CG2 4.48Å; K83-I151 WeakPolarHBondContact CD-O 3.49Å; K83-I151 VanDerWaalsContact CE-O 3.22Å; K83-I151 WeakPolarHBondContact CE-O 3.46Å; K83-I151 PolarHBondContact NZ-O 3.41Å; L109-I151 HydrophobicContact CD1-CG2 4.03Å; P147-I151 HydrophobicContact CB-CB 4.25Å; P147-I151 HydrophobicContact CB-CD1 3.51Å; P147-I151 HydrophobicContact CB-CG1 4.46Å; P147-I151 HydrophobicContact CB-CG2 4.13Å; P147-I151 HydrophobicContact CG-CD1 4.42Å; P147-I151 HydrophobicContact CG-CG2 4.42Å; P148-I151 HydrophobicContact CG-CB 4.15Å; P148-I151 VanDerWaalsContact O-CB 3.31Å; P148-I151 WeakPolarHBondContact O-CB 3.45Å; P148-I151 VanDerWaalsContact O-CG2 3.24Å; P148-I151 WeakPolarHBondContact O-CG2 3.4Å; P148-I151 PolarHBondContact O-N 3.17Å; P148-I151 VanDerWaalsContact O-N 3.1Å; L149-I151 VanDerWaalsContact C-N 3.26Å; L149-I151 PolarHBondContact O-N 2.84Å; I151-E155 HydrophobicContact CD1-CB 4.08Å; I151-E155 HydrophobicContact CG1-CB 3.63Å; I151-L156 HydrophobicContact CD1-CD2 3.84Å; I151-L156 HydrophobicContact CD1-CG 3.91Å; I151-L156 HydrophobicContact CG1-CD2 4.45Å; I151-L156 HydrophobicContact CG1-CG 4.03Å; I151-L156 HydrophobicContact CG2-CD1 3.92Å; I151-L156 HydrophobicContact CG2-CD2 4.01Å; I151-L156 HydrophobicContact CG2-CG 3.8Å
152S98.2Very high98.2Very high43 Ų4356.5 Ų56.530%0.30129%0.291SS..  trans-75.8162.4177.964.70000111.7T150 E154 E155 L156T150-S152 PolarHBondContact O-N 2.82Å; S152-E154 VanDerWaalsContact C-N 3.26Å; S152-E154 PolarHBondContact O-N 3.27Å; S152-E155 WeakPolarHBondContact CB-OE2 3.49Å; S152-E155 PolarHBondContact N-OE2 2.92Å; S152-E155 PolarHBondContact O-N 3.29Å; S152-E155 WeakPolarHBondContact OG-CB 3.35Å; S152-E155 VanDerWaalsContact OG-CD 3.3Å; S152-E155 WeakPolarHBondContact OG-CG 3.49Å; S152-E155 PolarHBondContact OG-N 3.25Å; S152-E155 VanDerWaalsContact OG-N 3.13Å; S152-E155 PolarHBondContact OG-OE2 2.96Å; S152-L156 PolarHBondContact O-N 2.85Å
153Q97.6Very high98.1Very high85 Ų8556 Ų5640%0.39729%0.288SS..Hα-helixtrans-60.7-38.6173.1-177.157.657.300111.6Y86 L156 T157Y86-Q153 VanDerWaalsContact CZ-NE2 3.28Å; Q153-L156 PolarHBondContact O-N 3.42Å; Q153-T157 PolarHBondContact NE2-OG1 3.15Å; Q153-T157 PolarHBondContact O-N 3.36Å; Q153-T157 PolarHBondContact O-OG1 2.86Å; Q153-T157 VanDerWaalsContact O-OG1 3.12Å
154E98.3Very high98.1Very high159 Ų15958.1 Ų58.174%0.74330%0.299SS*.Hα-helixtrans-63.3-47.4177.7-174.6-176.1163.700111.8S152 L156 T157 K158S152-E154 VanDerWaalsContact C-N 3.26Å; S152-E154 PolarHBondContact O-N 3.27Å; E154-L156 VanDerWaalsContact C-N 3.31Å; E154-L156 PolarHBondContact O-N 3.19Å; E154-T157 PolarHBondContact O-N 2.9Å; E154-K158 WeakPolarHBondContact O-CB 3.37Å; E154-K158 PolarHBondContact O-N 3.2Å
155E98.4Very high98Very high109 Ų10956.4 Ų56.451%0.50930%0.301SS..Hα-helixtrans-64-36.9176.9-71.9165.6134.800112.1I151 S152 G159I151-E155 HydrophobicContact CD1-CB 4.08Å; I151-E155 HydrophobicContact CG1-CB 3.63Å; S152-E155 WeakPolarHBondContact CB-OE2 3.49Å; S152-E155 PolarHBondContact N-OE2 2.92Å; S152-E155 PolarHBondContact O-N 3.29Å; S152-E155 WeakPolarHBondContact OG-CB 3.35Å; S152-E155 VanDerWaalsContact OG-CD 3.3Å; S152-E155 WeakPolarHBondContact OG-CG 3.49Å; S152-E155 PolarHBondContact OG-N 3.25Å; S152-E155 VanDerWaalsContact OG-N 3.13Å; S152-E155 PolarHBondContact OG-OE2 2.96Å; E155-G159 PolarHBondContact O-N 3.46Å
156L98.1Very high97.9Very high6 Ų655.8 Ų55.83%0.03130%0.298CS..Hα-helixtrans-61.8-49.2173.7-82.7169.6000111.4K83 Y86 L87 L109 I151 S152 Q153 E154 G159 L160K83-L156 HydrophobicContact CB-CD1 3.79Å; K83-L156 HydrophobicContact CD-CD1 4.09Å; K83-L156 HydrophobicContact CG-CD1 3.9Å; Y86-L156 HydrophobicContact CE1-CB 4.47Å; L87-L156 HydrophobicContact CD1-CD2 4.39Å; L87-L156 HydrophobicContact CD2-CD2 4.35Å; L109-L156 HydrophobicContact CD2-CD2 4.32Å; I151-L156 HydrophobicContact CD1-CD2 3.84Å; I151-L156 HydrophobicContact CD1-CG 3.91Å; I151-L156 HydrophobicContact CG1-CD2 4.45Å; I151-L156 HydrophobicContact CG1-CG 4.03Å; I151-L156 HydrophobicContact CG2-CD1 3.92Å; I151-L156 HydrophobicContact CG2-CD2 4.01Å; I151-L156 HydrophobicContact CG2-CG 3.8Å; S152-L156 PolarHBondContact O-N 2.85Å; Q153-L156 PolarHBondContact O-N 3.42Å; E154-L156 VanDerWaalsContact C-N 3.31Å; E154-L156 PolarHBondContact O-N 3.19Å; L156-G159 PolarHBondContact O-N 2.79Å; L156-L160 WeakPolarHBondContact O-CG 3.37Å; L156-L160 PolarHBondContact O-N 3.17Å
157T98.1Very high97.9Very high44 Ų4452.2 Ų52.227%0.2728%0.279SS..Hα-helixtrans-61.5-45.6178.6-620000111.2Y86 Q153 E154 G159 L160 E161Y86-T157 PolarHBondContact OH-OG1 2.96Å; Y86-T157 VanDerWaalsContact OH-OG1 3.08Å; Q153-T157 PolarHBondContact NE2-OG1 3.15Å; Q153-T157 PolarHBondContact O-N 3.36Å; Q153-T157 PolarHBondContact O-OG1 2.86Å; Q153-T157 VanDerWaalsContact O-OG1 3.12Å; E154-T157 PolarHBondContact O-N 2.9Å; T157-G159 VanDerWaalsContact C-N 3.32Å; T157-G159 PolarHBondContact O-N 2.86Å; T157-L160 WeakPolarHBondContact O-CB 3.18Å; T157-L160 PolarHBondContact O-N 3.28Å; T157-E161 WeakPolarHBondContact O-CG 3.43Å; T157-E161 PolarHBondContact O-N 3.4Å
158K98.3Very high97.7Very high135 Ų13555.3 Ų55.359%0.58729%0.294SS*.Hα-helixtrans-61.3-40175.6-173.9176-177.6176.70112.5E154 E161 I162E154-K158 WeakPolarHBondContact O-CB 3.37Å; E154-K158 PolarHBondContact O-N 3.2Å; K158-E161 PolarHBondContact O-N 3.18Å; K158-I162 WeakPolarHBondContact O-CG1 3.38Å; K158-I162 PolarHBondContact O-N 3.05Å
159G98.3Very high97.1Very high14 Ų1459 Ų5914%0.14430%0.302CS..Hα-helixtrans-63.8-41.9175.600000112.4L133 E155 L156 T157 I162 I163L133-G159 WeakPolarHBondContact CD1-O 3.42Å; E155-G159 PolarHBondContact O-N 3.46Å; L156-G159 PolarHBondContact O-N 2.79Å; T157-G159 VanDerWaalsContact C-N 3.32Å; T157-G159 PolarHBondContact O-N 2.86Å; G159-I162 PolarHBondContact O-N 3.47Å; G159-I163 VanDerWaalsContact O-CG1 3.28Å; G159-I163 WeakPolarHBondContact O-CG1 3.29Å; G159-I163 PolarHBondContact O-N 3.23Å
160L98.1Very high97.1Very high6 Ų660.9 Ų60.93%0.03131%0.311CS..Hα-helixtrans-61.9-42.8174.6-81.6165.4000112.3Y86 L87 E90 L91 L156 T157 I162 I163 N164Y86-L160 HydrophobicContact CD1-CD1 4.41Å; Y86-L160 HydrophobicContact CE1-CD1 3.58Å; L87-L160 HydrophobicContact CD1-CD1 4.34Å; L87-L160 HydrophobicContact CD1-CD2 3.81Å; L87-L160 HydrophobicContact CD1-CG 4.01Å; E90-L160 HydrophobicContact CB-CD1 3.65Å; E90-L160 HydrophobicContact CB-CD2 3.88Å; E90-L160 HydrophobicContact CB-CG 4.41Å; E90-L160 HydrophobicContact CG-CD1 3.9Å; L91-L160 HydrophobicContact CD2-CD2 3.71Å; L91-L160 HydrophobicContact CG-CD2 3.78Å; L156-L160 WeakPolarHBondContact O-CG 3.37Å; L156-L160 PolarHBondContact O-N 3.17Å; T157-L160 WeakPolarHBondContact O-CB 3.18Å; T157-L160 PolarHBondContact O-N 3.28Å; L160-I162 VanDerWaalsContact C-N 3.33Å; L160-I162 PolarHBondContact O-N 2.85Å; L160-I163 PolarHBondContact O-N 3.34Å; L160-N164 WeakPolarHBondContact O-CB 3.39Å; L160-N164 PolarHBondContact O-N 3.27Å; L160-N164 PolarHBondContact O-ND2 3.01Å
161E97.9Very high97.1Very high120 Ų12058.6 Ų58.656%0.56129%0.294SS*.Hα-helixtrans-58-45.4175.4-72.1170.9-17900111.7T157 K158 N164 S165T157-E161 WeakPolarHBondContact O-CG 3.43Å; T157-E161 PolarHBondContact O-N 3.4Å; K158-E161 PolarHBondContact O-N 3.18Å; E161-N164 PolarHBondContact O-N 2.92Å; E161-S165 WeakPolarHBondContact O-CB 3.37Å; E161-S165 PolarHBondContact O-N 3.26Å
162I98.4Very high97Very high26 Ų2660.7 Ų60.713%0.13330%0.304CS..Hα-helixtrans-62.4-46.9176.5-67.1165.2000110.5L128 Q131 L133 K158 G159 L160 N164 S165 V166L128-I162 HydrophobicContact CD2-CG2 3.84Å; Q131-I162 HydrophobicContact CB-CG2 3.53Å; Q131-I162 HydrophobicContact CG-CG2 4.29Å; L133-I162 HydrophobicContact CB-CD1 4.31Å; L133-I162 HydrophobicContact CB-CG2 3.82Å; L133-I162 HydrophobicContact CD1-CB 4.16Å; L133-I162 HydrophobicContact CD1-CD1 4.41Å; L133-I162 HydrophobicContact CD1-CG2 4.19Å; K158-I162 WeakPolarHBondContact O-CG1 3.38Å; K158-I162 PolarHBondContact O-N 3.05Å; G159-I162 PolarHBondContact O-N 3.47Å; L160-I162 VanDerWaalsContact C-N 3.33Å; L160-I162 PolarHBondContact O-N 2.85Å; I162-N164 PolarHBondContact O-N 2.9Å; I162-S165 PolarHBondContact O-N 3.19Å; I162-S165 PolarHBondContact O-OG 3.3Å; I162-V166 PolarHBondContact O-N 2.73Å
163I98.3Very high96.9Very high5 Ų561.8 Ų61.83%0.02630%0.304CS..Hα-helixtrans-60.3-46.6179.1-69.7164.9000110.9L91 L94 I113 L128 L133 L145 G159 L160 S165 V166 L167L91-I163 HydrophobicContact CD2-CG2 4Å; L94-I163 HydrophobicContact CD2-CG2 3.9Å; I113-I163 HydrophobicContact CD1-CG2 4.25Å; L128-I163 HydrophobicContact CD2-CG1 4.08Å; L133-I163 HydrophobicContact CD1-CD1 4.35Å; L133-I163 HydrophobicContact CD1-CG1 4.17Å; L133-I163 HydrophobicContact CD2-CG1 4.4Å; L145-I163 HydrophobicContact CD1-CD1 3.92Å; L145-I163 HydrophobicContact CD2-CD1 4.11Å; G159-I163 VanDerWaalsContact O-CG1 3.28Å; G159-I163 WeakPolarHBondContact O-CG1 3.29Å; G159-I163 PolarHBondContact O-N 3.23Å; L160-I163 PolarHBondContact O-N 3.34Å; I163-S165 VanDerWaalsContact C-N 3.31Å; I163-S165 PolarHBondContact O-N 2.98Å; I163-V166 PolarHBondContact O-N 3.26Å; I163-L167 HydrophobicContact CG2-CD1 3.71Å; I163-L167 HydrophobicContact CG2-CG 4.38Å; I163-L167 PolarHBondContact O-N 3.24Å
164N97Very high96.9Very high44 Ų4460.3 Ų60.324%0.23530%0.299CS..Hα-helixtrans-57.8-45.4176.3-73-19.5000111L94 L160 E161 I162 V166 L167 L168L94-N164 WeakPolarHBondContact CD1-OD1 3.34Å; L94-N164 VanDerWaalsContact CD2-OD1 3.3Å; L94-N164 WeakPolarHBondContact CD2-OD1 3.36Å; L160-N164 WeakPolarHBondContact O-CB 3.39Å; L160-N164 PolarHBondContact O-N 3.27Å; L160-N164 PolarHBondContact O-ND2 3.01Å; E161-N164 PolarHBondContact O-N 2.92Å; I162-N164 PolarHBondContact O-N 2.9Å; N164-V166 PolarHBondContact O-N 3.04Å; N164-L167 PolarHBondContact O-N 3.02Å; N164-L168 HydrophobicContact CB-CD1 4.22Å; N164-L168 VanDerWaalsContact O-CB 3.24Å; N164-L168 WeakPolarHBondContact O-CB 3.16Å; N164-L168 VanDerWaalsContact O-CG 3.28Å; N164-L168 WeakPolarHBondContact O-CG 3.41Å; N164-L168 PolarHBondContact O-N 3.02Å
165S96.8Very high96.8Very high52 Ų5253.7 Ų53.736%0.36427%0.269SS..Hα-helixtrans-62.7-25.5-17979.90000114E161 I162 I163 K169E161-S165 WeakPolarHBondContact O-CB 3.37Å; E161-S165 PolarHBondContact O-N 3.26Å; I162-S165 PolarHBondContact O-N 3.19Å; I162-S165 PolarHBondContact O-OG 3.3Å; I163-S165 VanDerWaalsContact C-N 3.31Å; I163-S165 PolarHBondContact O-N 2.98Å; S165-K169 VanDerWaalsContact O-CE 3.28Å; S165-K169 WeakPolarHBondContact O-CE 3.2Å; S165-K169 WeakPolarHBondContact O-CG 3.2Å
166V97.6Very high96.7Very high1 Ų149.8 Ų49.81%0.00625%0.252CS..Hα-helixtrans-91.4-40.9179.91720000111.3K100 T124 E127 L128 I162 I163 N164K100-V166 PolarHBondContact NZ-O 3.18Å; T124-V166 HydrophobicContact CG2-CG1 3.93Å; E127-V166 HydrophobicContact CB-CB 4.48Å; E127-V166 HydrophobicContact CB-CG1 3.7Å; E127-V166 HydrophobicContact CB-CG2 3.9Å; L128-V166 HydrophobicContact CD2-CB 4.05Å; L128-V166 HydrophobicContact CD2-CG1 4.42Å; L128-V166 HydrophobicContact CD2-CG2 3.82Å; L128-V166 HydrophobicContact CG-CG1 4.45Å; L128-V166 HydrophobicContact CG-CG2 4.41Å; I162-V166 PolarHBondContact O-N 2.73Å; I163-V166 PolarHBondContact O-N 3.26Å; N164-V166 PolarHBondContact O-N 3.04Å
167L97.2Very high96.6Very high1 Ų153.2 Ų53.21%0.00527%0.269CS..Hα-helixtrans-80.4-24.2-175.5-68.7-179.1000113.3L94 S98 V101 I113 L115 T124 I163 N164L94-L167 HydrophobicContact CD1-CB 4.28Å; L94-L167 HydrophobicContact CD2-CB 4.11Å; L94-L167 HydrophobicContact CD2-CD1 3.7Å; L94-L167 HydrophobicContact CD2-CG 4.49Å; S98-L167 PolarHBondContact OG-O 2.62Å; S98-L167 VanDerWaalsContact OG-O 3.12Å; V101-L167 HydrophobicContact CG2-CD1 4.05Å; I113-L167 HydrophobicContact CD1-CD1 4.27Å; I113-L167 HydrophobicContact CG2-CD1 4.28Å; L115-L167 HydrophobicContact CD1-CD2 4.5Å; L115-L167 HydrophobicContact CD2-CD2 3.78Å; T124-L167 HydrophobicContact CG2-CD2 3.78Å; I163-L167 HydrophobicContact CG2-CD1 3.71Å; I163-L167 HydrophobicContact CG2-CG 4.38Å; I163-L167 PolarHBondContact O-N 3.24Å; N164-L167 PolarHBondContact O-N 3.02Å
168L94.8Very high96.4Very high86 Ų8653.9 Ų53.945%0.4527%0.269SS..THydrogen-bonded Turntrans-87-2.4178-66.4174000115.2L94 K97 N164L94-L168 HydrophobicContact CD1-CD1 4Å; L94-L168 HydrophobicContact CD1-CD2 3.52Å; L94-L168 HydrophobicContact CD1-CG 3.48Å; L94-L168 VanDerWaalsContact CD1-CG 3.48Å; K97-L168 HydrophobicContact CB-CD2 3.58Å; N164-L168 HydrophobicContact CB-CD1 4.22Å; N164-L168 VanDerWaalsContact O-CB 3.24Å; N164-L168 WeakPolarHBondContact O-CB 3.16Å; N164-L168 VanDerWaalsContact O-CG 3.28Å; N164-L168 WeakPolarHBondContact O-CG 3.41Å; N164-L168 PolarHBondContact O-N 3.02Å
169K84.6Confident96.3Very high157 Ų15746.5 Ų46.568%0.68324%0.24SC*.  trans-740173.2-71.7175.2-170.9170.60111.8K100 E127 S165K100-K169 WeakPolarHBondContact CE-OXT 3.28Å; K100-K169 PolarHBondContact NZ-OXT 3.21Å; E127-K169 IonicContact OE2-NZ 2.67Å; E127-K169 PolarHBondContact OE2-NZ 3.43Å; S165-K169 VanDerWaalsContact O-CE 3.28Å; S165-K169 WeakPolarHBondContact O-CE 3.2Å; S165-K169 WeakPolarHBondContact O-CG 3.2Å

Retrieved 169 of 169 residues in 590.3 ms (Link to these results)

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