A0A077YWW9_TRITR Loading...

Actin 5C

AlphaFold DB , UniProt , Accession A0A077YWW9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 369 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
1M44.7Very low77.7Confident242 Ų24280.3 Ų80.3100%1.19243%0.43SS*.  0117.30-83.3171.5166.900105.7
2C51.4Low79.5Confident49 Ų4973.9 Ų73.933%0.33140%0.396SS..  trans-64.9138.7173.5-57.10000108E4 P103C2-E4 PolarHBondContact O-N 3.04Å; C2-P103 HydrophobicContact CB-CG 4.27Å
3D53.8Low80.8Confident127 Ų12769 Ų6968%0.67937%0.37SS*.  trans-55.1129.3170.7-83.7-35.2000108.3D5 V6D3-D5 PolarHBondContact O-N 2.96Å; D3-V6 HydrophobicContact CB-CG2 4.08Å; D3-V6 PolarHBondContact O-N 3.43Å
4E59.7Low81.9Confident202 Ų20264.9 Ų64.994%0.94435%0.352SS*.THydrogen-bonded Turntrans-57.9-15.2-177-71-175.2158.400112.8C2C2-E4 PolarHBondContact O-N 3.04Å
5D73.1Confident82.9Confident164 Ų16461.1 Ų61.188%0.87733%0.332SS*.THydrogen-bonded Turntrans-88.3-7.3179.9-66.9-34.5000114.4D3D3-D5 PolarHBondContact O-N 2.96Å
6V86.5Confident83.7Confident51 Ų5157.9 Ų57.931%0.30932%0.317SS..  trans-92.8113.2-177.7-172.70000111.9D3 A8 E101 H102D3-V6 HydrophobicContact CB-CG2 4.08Å; D3-V6 PolarHBondContact O-N 3.43Å; V6-A8 PolarHBondContact O-N 2.88Å; V6-E101 VanDerWaalsContact CG1-O 3.28Å; V6-E101 WeakPolarHBondContact CG1-O 3.4Å; V6-H102 VanDerWaalsContact CG1-ND1 3.34Å; V6-H102 WeakPolarHBondContact CG1-ND1 3.39Å
7A92.7Very high84.5Confident42 Ų4258.1 Ų58.135%0.34732%0.317SS..PPolyproline II helixtrans-64.2132.1177.100000111.7F22 H102A7-F22 HydrophobicContact CB-CB 4.34Å; A7-F22 HydrophobicContact CB-CD1 4.05Å; A7-H102 PolarHBondContact O-ND1 3.11Å
8A97.3Very high85.3Confident6 Ų654.9 Ų54.95%0.0530%0.299CS..PPolyproline II helixtrans-68.4150.3172.400000111.3V6 F22 A23 P103 A341 W350V6-A8 PolarHBondContact O-N 2.88Å; A8-F22 CarbonylContact O-C 3.6Å; A8-F22 WeakPolarHBondContact O-CA 3.3Å; A8-A23 HydrophobicContact CB-CB 4.13Å; A8-A23 WeakPolarHBondContact O-CB 3.24Å; A8-A23 PolarHBondContact O-N 3.46Å; A8-P103 CarbonylContact C-O 3.58Å; A8-P103 VanDerWaalsContact CA-O 3.3Å; A8-P103 WeakPolarHBondContact CA-O 3.33Å; A8-P103 HydrophobicContact CB-CB 3.99Å; A8-A341 HydrophobicContact CB-CB 4.15Å; A8-W350 HydrophobicContact CB-CH2 3.91Å; A8-W350 HydrophobicContact CB-CZ2 3.72Å
9L98.4Very high86Confident0 Ų053.3 Ų53.30%029%0.289CS..EExtended strand (participates in β ladder)trans-93.2138.8172.3-58.6176.3000109.8G21 F22 F91 L95 V97 H102 P103 V104 L105L9-G21 WeakPolarHBondContact CA-O 3.44Å; L9-F22 HydrophobicContact CD2-CD1 3.51Å; L9-F22 HydrophobicContact CD2-CE1 3.46Å; L9-F22 VanDerWaalsContact CD2-CE1 3.46Å; L9-F22 HydrophobicContact CD2-CG 4.18Å; L9-F22 HydrophobicContact CD2-CZ 4.08Å; L9-F91 HydrophobicContact CD1-CD1 3.79Å; L9-F91 HydrophobicContact CD1-CE1 3.66Å; L9-L95 HydrophobicContact CD1-CD1 4.33Å; L9-L95 HydrophobicContact CD2-CD1 4.01Å; L9-V97 HydrophobicContact CD1-CG2 3.68Å; L9-V97 HydrophobicContact CD2-CG2 4.48Å; L9-H102 HydrophobicContact CD1-CB 3.8Å; L9-H102 HydrophobicContact CG-CB 3.75Å; L9-P103 PolarHBondContact N-O 2.88Å; L9-V104 HydrophobicContact CB-CG2 4.34Å; L9-V104 HydrophobicContact CD1-CG2 4.41Å; L9-V104 CarbonylContact O-C 3.5Å; L9-V104 WeakPolarHBondContact O-CA 3.29Å; L9-L105 PolarHBondContact O-N 2.87Å
10V98.7Very high86.6Confident0 Ų050.6 Ų50.60%027%0.274CS..EExtended strand (participates in β ladder)trans-116122175.41790000108.3A20 G21 A23 L105 W334 A341V10-A20 VanDerWaalsContact O-CA 3.26Å; V10-A20 WeakPolarHBondContact O-CA 3.21Å; V10-G21 PolarHBondContact N-O 3.4Å; V10-G21 PolarHBondContact O-N 3.46Å; V10-G21 VanDerWaalsContact O-N 3.17Å; V10-A23 HydrophobicContact CG2-CB 4.27Å; V10-L105 WeakPolarHBondContact CA-O 3.08Å; V10-L105 HydrophobicContact CG1-CD2 4.16Å; V10-L105 HydrophobicContact CG2-CB 4.38Å; V10-W334 HydrophobicContact CG1-CG 4.3Å; V10-W334 PolarHBondContact O-NE1 2.88Å; V10-A341 HydrophobicContact CG2-CB 4.11Å
11I98.7Very high87.2Confident0 Ų048.2 Ų48.20%026%0.261CS..EExtended strand (participates in β ladder)trans-122.6108.7-179.8-56.4177000109.1N13 K19 A20 T90 F91 V104 L105 L106 T107I11-N13 WeakPolarHBondContact CG2-OD1 3.24Å; I11-K19 WeakPolarHBondContact CA-O 3.38Å; I11-A20 HydrophobicContact CG1-CB 4.25Å; I11-T90 HydrophobicContact CD1-CG2 3.95Å; I11-T90 HydrophobicContact CG1-CG2 4.16Å; I11-F91 HydrophobicContact CD1-CD1 4.44Å; I11-F91 HydrophobicContact CD1-CE1 3.6Å; I11-F91 HydrophobicContact CD1-CE2 4.45Å; I11-F91 HydrophobicContact CD1-CZ 3.6Å; I11-V104 HydrophobicContact CD1-CG1 3.95Å; I11-V104 HydrophobicContact CG1-CG1 4.37Å; I11-L105 PolarHBondContact N-O 3.2Å; I11-L106 HydrophobicContact CB-CD2 3.98Å; I11-L106 HydrophobicContact CD1-CD2 4.39Å; I11-L106 HydrophobicContact CG2-CD2 4.23Å; I11-T107 PolarHBondContact O-N 2.81Å
12D98.5Very high89.7Confident4 Ų438.9 Ų38.92%0.02121%0.214CC..EExtended strand (participates in β ladder)trans-86.9107.7172.9175.431.4000111.3G14 C18 K19 T107 Q138 V333 W334D12-G14 PolarHBondContact O-N 3.46Å; D12-G14 VanDerWaalsContact O-N 3.11Å; D12-C18 WeakPolarHBondContact O-CA 3.3Å; D12-K19 HydrophobicContact CB-CB 4.17Å; D12-K19 PolarHBondContact N-O 3.11Å; D12-K19 PolarHBondContact O-N 3.04Å; D12-K19 VanDerWaalsContact O-N 3.11Å; D12-K19 IonicContact OD2-NZ 3.46Å; D12-K19 PolarHBondContact OD2-NZ 2.76Å; D12-T107 VanDerWaalsContact CA-OG1 3.24Å; D12-T107 WeakPolarHBondContact CA-OG1 3.44Å; D12-T107 HydrophobicContact CB-CG2 4.11Å; D12-T107 PolarHBondContact OD1-OG1 3.45Å; D12-Q138 PolarHBondContact OD1-NE2 2.81Å; D12-V333 HydrophobicContact CB-CG1 4.17Å; D12-V333 VanDerWaalsContact CG-CG1 3.5Å; D12-V333 VanDerWaalsContact OD1-CG1 3.29Å; D12-V333 WeakPolarHBondContact OD1-CG1 3.29Å; D12-W334 HydrophobicContact CB-CB 4.19Å
13N97.1Very high91.9Very high10 Ų1037.2 Ų37.25%0.05320%0.204CC..EExtended strand (participates in β ladder)trans-8573.1-175.3-59.1-57.2000111.8I11 I72 M83 W87 T107 Q138I11-N13 WeakPolarHBondContact CG2-OD1 3.24Å; N13-I72 HydrophobicContact CB-CD1 4.17Å; N13-M83 HydrophobicContact CB-CE 4.23Å; N13-M83 WeakPolarHBondContact OD1-CE 3.26Å; N13-W87 PolarHBondContact OD1-NE1 3.18Å; N13-T107 PolarHBondContact N-OG1 2.81Å; N13-T107 PolarHBondContact ND2-O 3.38Å; N13-Q138 PolarHBondContact O-NE2 2.93Å
14G96.7Very high93.8Very high12 Ų1233.7 Ų33.712%0.12420%0.198CC..  trans-80.6147.8176.600000113.6D12 G16 M17 S34D12-G14 PolarHBondContact O-N 3.46Å; D12-G14 VanDerWaalsContact O-N 3.11Å; G14-G16 VanDerWaalsContact C-N 3.28Å; G14-G16 PolarHBondContact O-N 2.94Å; G14-M17 WeakPolarHBondContact CA-O 3.31Å; G14-M17 PolarHBondContact N-O 3.06Å; G14-S34 VanDerWaalsContact O-CB 3.28Å; G14-S34 WeakPolarHBondContact O-CB 3.26Å; G14-S34 PolarHBondContact O-OG 2.84Å
15S96.5Very high95.6Very high7 Ų726 Ų265%0.04916%0.163CC..SBendtrans-64.2-29.8179-50.20000114.9I72 G75 R184S15-I72 WeakPolarHBondContact OG-CG2 3.49Å; S15-G75 WeakPolarHBondContact OG-CA 3.48Å; S15-G75 PolarHBondContact OG-N 3.07Å; S15-R184 PolarHBondContact O-NH2 3.35Å; S15-R184 VanDerWaalsContact O-NH2 3.16Å
16G95.8Very high96.6Very high10 Ų1025.6 Ų25.610%0.10316%0.161CC..SBendtrans-98.9-39.5177.100000112.6G14 P33 S34 D158G14-G16 VanDerWaalsContact C-N 3.28Å; G14-G16 PolarHBondContact O-N 2.94Å; G16-P33 WeakPolarHBondContact O-CA 3.28Å; G16-S34 PolarHBondContact O-N 3.46Å; G16-D158 WeakPolarHBondContact CA-OD2 3.43Å
17M97.4Very high97Very high62 Ų6225.6 Ų25.631%0.30517%0.166SC..EExtended strand (participates in β ladder)trans-138.4132.3-173-57.2-61.9-68.100110.9G14 V31 F32 P33G14-M17 WeakPolarHBondContact CA-O 3.31Å; G14-M17 PolarHBondContact N-O 3.06Å; M17-V31 HydrophobicContact CE-CG1 3.73Å; M17-F32 CarbonylContact C-O 3.56Å; M17-F32 WeakPolarHBondContact CA-O 3.35Å; M17-F32 VanDerWaalsContact CE-C 3.4Å; M17-P33 HydrophobicContact CE-CG 4.3Å; M17-P33 HydrophobicContact SD-CB 4.29Å; M17-P33 HydrophobicContact SD-CG 4.1Å
18C98.4Very high97.3Very high0 Ų024.4 Ų24.40%016%0.155CC..EExtended strand (participates in β ladder)trans-89.2138.1166.7-179.20000108.5D12 V31 F32 S34 I86D12-C18 WeakPolarHBondContact O-CA 3.3Å; C18-V31 WeakPolarHBondContact O-CA 3.38Å; C18-F32 HydrophobicContact CB-CD1 4.48Å; C18-F32 HydrophobicContact CB-CD2 4.34Å; C18-F32 HydrophobicContact CB-CE1 3.95Å; C18-F32 HydrophobicContact CB-CE2 3.8Å; C18-F32 HydrophobicContact CB-CZ 3.58Å; C18-F32 PolarHBondContact N-O 3.21Å; C18-F32 PolarHBondContact O-N 3.5Å; C18-S34 PolarHBondContact N-OG 2.84Å; C18-I86 HydrophobicContact CB-CG2 4.44Å
19K98.6Very high97.3Very high24 Ų2432 Ų3210%0.10418%0.182CC..EExtended strand (participates in β ladder)trans-127.3130.6175.8-44.1177-165.268.20109I11 D12 P28 A30 V31 K330 Y331 W334I11-K19 WeakPolarHBondContact CA-O 3.38Å; D12-K19 HydrophobicContact CB-CB 4.17Å; D12-K19 PolarHBondContact N-O 3.11Å; D12-K19 PolarHBondContact O-N 3.04Å; D12-K19 VanDerWaalsContact O-N 3.11Å; D12-K19 IonicContact OD2-NZ 3.46Å; D12-K19 PolarHBondContact OD2-NZ 2.76Å; K19-P28 HydrophobicContact CB-CB 4.02Å; K19-P28 HydrophobicContact CB-CG 4.29Å; K19-A30 CarbonylContact C-O 3.57Å; K19-A30 WeakPolarHBondContact CA-O 3.2Å; K19-V31 HydrophobicContact CB-CG2 4.25Å; K19-V31 HydrophobicContact CG-CG1 4.21Å; K19-V31 HydrophobicContact CG-CG2 4.12Å; K19-K330 WeakPolarHBondContact CE-O 3.26Å; K19-Y331 HydrophobicContact CD-CD1 3.75Å; K19-Y331 HydrophobicContact CD-CE1 4.34Å; K19-W334 HydrophobicContact CB-CB 4.41Å; K19-W334 HydrophobicContact CB-CG 4.35Å
20A98.8Very high97.3Very high0 Ų032.3 Ų32.30%019%0.185CC..EExtended strand (participates in β ladder)trans-141.4150.8-17500000112.1V10 I11 P28 R29 A30 T90 L95V10-A20 VanDerWaalsContact O-CA 3.26Å; V10-A20 WeakPolarHBondContact O-CA 3.21Å; I11-A20 HydrophobicContact CG1-CB 4.25Å; A20-P28 CarbonylContact O-C 3.53Å; A20-R29 PolarHBondContact O-N 2.91Å; A20-A30 PolarHBondContact N-O 2.87Å; A20-A30 PolarHBondContact O-N 2.9Å; A20-T90 HydrophobicContact CB-CG2 3.29Å; A20-L95 HydrophobicContact CB-CD1 4.04Å; A20-L95 HydrophobicContact CB-CD2 4.26Å; A20-L95 HydrophobicContact CB-CG 4.28Å
21G98.5Very high97.3Very high0 Ų034.6 Ų34.60%020%0.199CC..EExtended strand (participates in β ladder)trans176.2-171.7177.700000111.7L9 V10L9-G21 WeakPolarHBondContact CA-O 3.44Å; V10-G21 PolarHBondContact N-O 3.4Å; V10-G21 PolarHBondContact O-N 3.46Å; V10-G21 VanDerWaalsContact O-N 3.17Å
22F98Very high97.3Very high46 Ų4634.6 Ų34.620%0.20220%0.199CC..EExtended strand (participates in β ladder)trans-92.4144.1-179.7-61.1-92.5000110.9A7 A8 L9 D25 R29 V97 H102A7-F22 HydrophobicContact CB-CB 4.34Å; A7-F22 HydrophobicContact CB-CD1 4.05Å; A8-F22 CarbonylContact O-C 3.6Å; A8-F22 WeakPolarHBondContact O-CA 3.3Å; L9-F22 HydrophobicContact CD2-CD1 3.51Å; L9-F22 HydrophobicContact CD2-CE1 3.46Å; L9-F22 VanDerWaalsContact CD2-CE1 3.46Å; L9-F22 HydrophobicContact CD2-CG 4.18Å; L9-F22 HydrophobicContact CD2-CZ 4.08Å; F22-D25 WeakPolarHBondContact O-CB 3.28Å; F22-D25 PolarHBondContact O-N 3.09Å; F22-R29 HydrophobicContact CD2-CG 4.04Å; F22-R29 HydrophobicContact CE2-CG 4.39Å; F22-V97 HydrophobicContact CE1-CG1 4.07Å; F22-V97 HydrophobicContact CZ-CG1 3.62Å; F22-H102 AromaticContact CE1-CE1 3.96Å
23A96.7Very high97.3Very high15 Ų1535.1 Ų35.112%0.12420%0.202CC..THydrogen-bonded Turntrans-60136.7169.900000110.3A8 V10 A341A8-A23 HydrophobicContact CB-CB 4.13Å; A8-A23 WeakPolarHBondContact O-CB 3.24Å; A8-A23 PolarHBondContact O-N 3.46Å; V10-A23 HydrophobicContact CG2-CB 4.27Å; A23-A341 HydrophobicContact CB-CB 3.61Å
24G94.5Very high97.3Very high52 Ų5234.7 Ų34.754%0.53620%0.2SC..THydrogen-bonded Turntrans90.6-13.5-174.200000114.8S338G24-S338 PolarHBondContact N-O 3.1Å; G24-S338 PolarHBondContact N-OG 2.93Å
25D96.2Very high97.4Very high41 Ų4134.1 Ų34.122%0.21919%0.194CC..  trans-73.7145.6169.2-75.2-26.3000110.3F22 A27 R29 W334 S338F22-D25 WeakPolarHBondContact O-CB 3.28Å; F22-D25 PolarHBondContact O-N 3.09Å; D25-A27 VanDerWaalsContact C-N 3.31Å; D25-A27 PolarHBondContact O-N 3.04Å; D25-R29 IonicContact OD1-CZ 2.87Å; D25-R29 IonicContact OD1-NE 2.72Å; D25-R29 IonicContact OD1-NH2 3.46Å; D25-R29 PolarHBondContact OD1-NH2 2.96Å; D25-R29 IonicContact OD2-CZ 3.53Å; D25-R29 IonicContact OD2-NE 3.29Å; D25-R29 PolarHBondContact OD2-NE 3.06Å; D25-R29 IonicContact OD2-NH2 3.5Å; D25-R29 PolarHBondContact OD2-NH2 3.33Å; D25-R29 VanDerWaalsContact OD2-NH2 3.14Å; D25-W334 HydrophobicContact CB-CH2 3.86Å; D25-W334 WeakPolarHBondContact O-CH2 3.32Å; D25-W334 WeakPolarHBondContact O-CZ3 3.45Å; D25-S338 PolarHBondContact N-OG 3.27Å; D25-S338 PolarHBondContact O-OG 3.03Å
26D94.1Very high97.4Very high155 Ų15533.8 Ų33.883%0.82919%0.192SC*.SBendtrans-74.1-18-179.8-67.2-40.5000113.9
27A96.4Very high97.5Very high51 Ų5133.3 Ų33.342%0.42119%0.187SC..SBendtrans-151.3153.9-177.600000110.9D25 R29 W334D25-A27 VanDerWaalsContact C-N 3.31Å; D25-A27 PolarHBondContact O-N 3.04Å; A27-R29 PolarHBondContact O-N 3.04Å; A27-W334 VanDerWaalsContact C-CH2 3.42Å; A27-W334 VanDerWaalsContact O-CH2 3.29Å; A27-W334 WeakPolarHBondContact O-CH2 3.39Å
28P98.1Very high97.4Very high18 Ų1834.1 Ų34.112%0.11719%0.187CC..  trans-60.9138.2176.325.5-34.2000110.9K19 A20 A30 V31 Y331 W334K19-P28 HydrophobicContact CB-CB 4.02Å; K19-P28 HydrophobicContact CB-CG 4.29Å; A20-P28 CarbonylContact O-C 3.53Å; P28-A30 VanDerWaalsContact C-N 3.29Å; P28-V31 HydrophobicContact CB-CG2 3.98Å; P28-V31 HydrophobicContact CG-CG2 3.5Å; P28-V31 VanDerWaalsContact CG-CG2 3.5Å; P28-Y331 HydrophobicContact CG-CD1 4.39Å; P28-Y331 HydrophobicContact CG-CG 4.41Å; P28-W334 HydrophobicContact CB-CD2 3.76Å; P28-W334 HydrophobicContact CB-CE3 4.22Å; P28-W334 HydrophobicContact CB-CG 4.04Å; P28-W334 HydrophobicContact CB-CZ2 4.42Å; P28-W334 HydrophobicContact CG-CD2 4.3Å; P28-W334 HydrophobicContact CG-CE3 4.4Å
29R97.9Very high97.1Very high165 Ų16536.2 Ų36.262%0.62320%0.2SC*.SBendtrans-67.4-32174-67.4-79.2176.5162.2-3.1111.9A20 F22 D25 A27 L95A20-R29 PolarHBondContact O-N 2.91Å; F22-R29 HydrophobicContact CD2-CG 4.04Å; F22-R29 HydrophobicContact CE2-CG 4.39Å; D25-R29 IonicContact OD1-CZ 2.87Å; D25-R29 IonicContact OD1-NE 2.72Å; D25-R29 IonicContact OD1-NH2 3.46Å; D25-R29 PolarHBondContact OD1-NH2 2.96Å; D25-R29 IonicContact OD2-CZ 3.53Å; D25-R29 IonicContact OD2-NE 3.29Å; D25-R29 PolarHBondContact OD2-NE 3.06Å; D25-R29 IonicContact OD2-NH2 3.5Å; D25-R29 PolarHBondContact OD2-NH2 3.33Å; D25-R29 VanDerWaalsContact OD2-NH2 3.14Å; A27-R29 PolarHBondContact O-N 3.04Å; R29-L95 HydrophobicContact CB-CD2 3.81Å; R29-L95 HydrophobicContact CG-CD2 4.42Å
30A98.3Very high96.7Very high6 Ų641.7 Ų41.75%0.0522%0.22CC..EExtended strand (participates in β ladder)trans-136138.3-178.400000111.1K19 A20 P28 F32 E94K19-A30 CarbonylContact C-O 3.57Å; K19-A30 WeakPolarHBondContact CA-O 3.2Å; A20-A30 PolarHBondContact N-O 2.87Å; A20-A30 PolarHBondContact O-N 2.9Å; P28-A30 VanDerWaalsContact C-N 3.29Å; A30-F32 HydrophobicContact CB-CD1 4.38Å; A30-E94 HydrophobicContact CB-CB 3.66Å; A30-E94 HydrophobicContact CB-CG 4.21Å
31V98.3Very high95.9Very high49 Ų4948.1 Ų48.130%0.29725%0.25SS..EExtended strand (participates in β ladder)trans-140.3109.2174.21790000107.5M17 C18 K19 P28 Y331M17-V31 HydrophobicContact CE-CG1 3.73Å; C18-V31 WeakPolarHBondContact O-CA 3.38Å; K19-V31 HydrophobicContact CB-CG2 4.25Å; K19-V31 HydrophobicContact CG-CG1 4.21Å; K19-V31 HydrophobicContact CG-CG2 4.12Å; P28-V31 HydrophobicContact CB-CG2 3.98Å; P28-V31 HydrophobicContact CG-CG2 3.5Å; P28-V31 VanDerWaalsContact CG-CG2 3.5Å; V31-Y331 HydrophobicContact CG2-CE1 4.23Å
32F98.3Very high94.8Very high0 Ų057.9 Ų57.90%030%0.296CS..EExtended strand (participates in β ladder)trans-141.3157.6-173.664.3-90000111.7M17 C18 A30 V55 I86 H89 T90 E94M17-F32 CarbonylContact C-O 3.56Å; M17-F32 WeakPolarHBondContact CA-O 3.35Å; M17-F32 VanDerWaalsContact CE-C 3.4Å; C18-F32 HydrophobicContact CB-CD1 4.48Å; C18-F32 HydrophobicContact CB-CD2 4.34Å; C18-F32 HydrophobicContact CB-CE1 3.95Å; C18-F32 HydrophobicContact CB-CE2 3.8Å; C18-F32 HydrophobicContact CB-CZ 3.58Å; C18-F32 PolarHBondContact N-O 3.21Å; C18-F32 PolarHBondContact O-N 3.5Å; A30-F32 HydrophobicContact CB-CD1 4.38Å; F32-V55 HydrophobicContact CE2-CG1 4.4Å; F32-I86 HydrophobicContact CE2-CG2 4.13Å; F32-I86 HydrophobicContact CZ-CG2 4.22Å; F32-H89 AromaticContact CE2-CD2 3.75Å; F32-H89 AromaticContact CZ-CD2 3.96Å; F32-T90 VanDerWaalsContact CZ-OG1 3.31Å; F32-T90 WeakPolarHBondContact CZ-OG1 3.38Å; F32-E94 HydrophobicContact CD1-CG 3.79Å; F32-E94 HydrophobicContact CE1-CB 4.49Å; F32-E94 HydrophobicContact CE1-CG 3.78Å
33P97.9Very high93.6Very high14 Ų1457.6 Ų57.69%0.09131%0.305CS..EExtended strand (participates in β ladder)trans-61.3134.7-179.6-2635.6000113.7G16 M17 I35 G56 D57 Q60G16-P33 WeakPolarHBondContact O-CA 3.28Å; M17-P33 HydrophobicContact CE-CG 4.3Å; M17-P33 HydrophobicContact SD-CB 4.29Å; M17-P33 HydrophobicContact SD-CG 4.1Å; P33-I35 HydrophobicContact CB-CD1 3.98Å; P33-I35 HydrophobicContact CB-CG1 3.97Å; P33-I35 HydrophobicContact CB-CG2 4.4Å; P33-I35 PolarHBondContact O-N 2.55Å; P33-G56 WeakPolarHBondContact O-CA 3.23Å; P33-D57 WeakPolarHBondContact CD-OD1 3.28Å; P33-Q60 HydrophobicContact CG-CB 4.41Å
34S97.9Very high92.2Very high1 Ų159.7 Ų59.71%0.00732%0.317CS..  trans-78.563.6177.4-61.20000111.7G14 G16 C18 P71G14-S34 VanDerWaalsContact O-CB 3.28Å; G14-S34 WeakPolarHBondContact O-CB 3.26Å; G14-S34 PolarHBondContact O-OG 2.84Å; G16-S34 PolarHBondContact O-N 3.46Å; C18-S34 PolarHBondContact N-OG 2.84Å; S34-P71 WeakPolarHBondContact O-CD 3.41Å
35I97.8Very high90.9Very high0 Ų057.9 Ų57.90%029%0.294CS..  trans-132.5150.2-174.865.8-178.7000112.6P33 V55 G56 A59 Q60 L68 K69 Y70P33-I35 HydrophobicContact CB-CD1 3.98Å; P33-I35 HydrophobicContact CB-CG1 3.97Å; P33-I35 HydrophobicContact CB-CG2 4.4Å; P33-I35 PolarHBondContact O-N 2.55Å; I35-V55 WeakPolarHBondContact O-CA 3.45Å; I35-G56 PolarHBondContact O-N 2.72Å; I35-G56 VanDerWaalsContact O-N 3.17Å; I35-A59 HydrophobicContact CD1-CB 3.93Å; I35-A59 HydrophobicContact CG1-CB 3.92Å; I35-Q60 HydrophobicContact CD1-CB 3.96Å; I35-L68 HydrophobicContact CD1-CD1 4.13Å; I35-L68 HydrophobicContact CD1-CD2 4.25Å; I35-K69 WeakPolarHBondContact CA-O 3.22Å; I35-Y70 HydrophobicContact CG2-CD1 3.46Å; I35-Y70 VanDerWaalsContact CG2-CD1 3.46Å; I35-Y70 HydrophobicContact CG2-CE1 3.17Å; I35-Y70 HydrophobicContact CG2-CE2 4.31Å; I35-Y70 HydrophobicContact CG2-CG 4.14Å
36V98.3Very high89.3Confident0 Ų062 Ų620%032%0.321CS..EExtended strand (participates in β ladder)trans-121.5122.8168.7-177.20000109Y54 V55 K69 D82 K85 I86V36-Y54 CarbonylContact C-O 3.57Å; V36-Y54 WeakPolarHBondContact CA-O 3.45Å; V36-V55 HydrophobicContact CG2-CG2 4.38Å; V36-K69 PolarHBondContact N-O 2.98Å; V36-K69 PolarHBondContact O-N 3.25Å; V36-D82 HydrophobicContact CB-CB 4.23Å; V36-D82 HydrophobicContact CG2-CB 3.74Å; V36-K85 HydrophobicContact CG1-CD 4.06Å; V36-K85 HydrophobicContact CG2-CB 4.39Å; V36-I86 HydrophobicContact CG2-CG1 4.12Å
37G97.1Very high88Confident0 Ų058.6 Ų58.60%032%0.322CS..EExtended strand (participates in β ladder)trans-104.3136.7177.500000112.2S53 Y54 T67G37-S53 CarbonylContact O-C 3.49Å; G37-S53 WeakPolarHBondContact O-CA 3.42Å; G37-Y54 PolarHBondContact N-O 2.89Å; G37-Y54 PolarHBondContact O-N 3.34Å; G37-T67 WeakPolarHBondContact CA-O 3.49Å
38R95.3Very high86.4Confident80 Ų8063.1 Ų63.130%0.30234%0.336SS..EExtended strand (participates in β ladder)trans-125142.8173.9-66.5179.6176.482.3-11111.2R40 L66 T67 D82R38-R40 PolarHBondContact O-N 3.33Å; R38-L66 VanDerWaalsContact C-CD2 3.47Å; R38-L66 CarbonylContact O-C 3.51Å; R38-L66 WeakPolarHBondContact O-CA 3.32Å; R38-T67 PolarHBondContact N-O 3.34Å; R38-T67 PolarHBondContact O-N 2.92Å; R38-D82 IonicContact CZ-OD1 2.79Å; R38-D82 VanDerWaalsContact CZ-OD1 3.31Å; R38-D82 IonicContact CZ-OD2 3.14Å; R38-D82 IonicContact NH1-OD1 3.97Å; R38-D82 PolarHBondContact NH1-OD1 3.31Å; R38-D82 IonicContact NH1-OD2 3.51Å; R38-D82 PolarHBondContact NH1-OD2 2.93Å; R38-D82 IonicContact NH2-OD1 2.75Å; R38-D82 PolarHBondContact NH2-OD1 2.99Å; R38-D82 IonicContact NH2-OD2 3.17Å
39P92.8Very high84.8Confident44 Ų4464.7 Ų64.729%0.28636%0.355SS..EExtended strand (participates in β ladder)trans-56.9133.1-179.4-24.334.1000112.7M45 Y54 L66P39-M45 HydrophobicContact CB-CE 4.38Å; P39-M45 HydrophobicContact CB-SD 4.36Å; P39-M45 HydrophobicContact CG-CE 3.91Å; P39-M45 HydrophobicContact CG-SD 3.69Å; P39-Y54 HydrophobicContact CG-CE2 4.33Å; P39-L66 HydrophobicContact CB-CD2 4.5Å; P39-L66 HydrophobicContact CG-CD2 4.25Å
40R88.8Confident83.5Confident139 Ų13964 Ų6453%0.52536%0.359SS..SBendtrans-67.2-35.2-179.7-74.5-179.7-175.4-169.24.2113.6R38 I65 L66 T67R38-R40 PolarHBondContact O-N 3.33Å; R40-I65 PolarHBondContact N-O 2.89Å; R40-L66 PolarHBondContact NE-O 3.14Å; R40-L66 PolarHBondContact NH2-O 3.43Å; R40-T67 WeakPolarHBondContact CG-OG1 3.37Å
41H82.9Confident82.8Confident135 Ų13568.4 Ų68.463%0.62538%0.377SS*.SBendtrans-135.8149.2177.3-45.2-71.8000110.2V44H41-V44 HydrophobicContact CB-CG2 3.61Å; H41-V44 VanDerWaalsContact O-CG2 3.3Å; H41-V44 WeakPolarHBondContact O-CG2 3.06Å; H41-V44 PolarHBondContact O-N 3.34Å
42Q74.9Confident82.3Confident205 Ų20573 Ų7396%0.95840%0.4SS*.THydrogen-bonded Turntrans-61.4137.4170.2-71179.3-13.400109.5V44Q42-V44 PolarHBondContact O-N 3.02Å
43G72.4Confident82.1Confident39 Ų3974.5 Ų74.540%0.40241%0.411SS..THydrogen-bonded Turntrans82.6-2.3178.800000116.1M45 V46G43-M45 PolarHBondContact O-N 2.88Å; G43-M45 VanDerWaalsContact O-N 3.09Å; G43-V46 VanDerWaalsContact O-CG2 3.24Å; G43-V46 WeakPolarHBondContact O-CG2 3.33Å; G43-V46 PolarHBondContact O-N 2.87Å
44V67.8Low82Confident60 Ų6074 Ų7436%0.36441%0.407SS..THydrogen-bonded Turntrans-62.4-20.1175.5177.10000112.2H41 Q42 I65H41-V44 HydrophobicContact CB-CG2 3.61Å; H41-V44 VanDerWaalsContact O-CG2 3.3Å; H41-V44 WeakPolarHBondContact O-CG2 3.06Å; H41-V44 PolarHBondContact O-N 3.34Å; Q42-V44 PolarHBondContact O-N 3.02Å; V44-I65 HydrophobicContact CG1-CB 3.76Å; V44-I65 HydrophobicContact CG1-CD1 4.33Å; V44-I65 HydrophobicContact CG1-CG2 3.89Å
45M67.5Low82Confident13 Ų1374.5 Ų74.56%0.06441%0.41CS..THydrogen-bonded Turntrans-107.631-175.3-61.3-173.1161.100114P39 G43 G47 M48 Y54 I65 L66P39-M45 HydrophobicContact CB-CE 4.38Å; P39-M45 HydrophobicContact CB-SD 4.36Å; P39-M45 HydrophobicContact CG-CE 3.91Å; P39-M45 HydrophobicContact CG-SD 3.69Å; G43-M45 PolarHBondContact O-N 2.88Å; G43-M45 VanDerWaalsContact O-N 3.09Å; M45-G47 PolarHBondContact O-N 2.71Å; M45-G47 VanDerWaalsContact O-N 3.11Å; M45-M48 PolarHBondContact O-N 2.78Å; M45-Y54 HydrophobicContact CE-CD2 4.08Å; M45-Y54 HydrophobicContact CE-CE2 3.36Å; M45-Y54 HydrophobicContact SD-CE2 3.5Å; M45-Y54 WeakPolarHBondContact SD-CE2 3.22Å; M45-Y54 VanDerWaalsContact SD-CZ 3.57Å; M45-Y54 PolarHBondContact SD-OH 2.98Å; M45-I65 HydrophobicContact CE-CD1 4.01Å; M45-L66 HydrophobicContact CE-CD2 3.44Å; M45-L66 VanDerWaalsContact CE-CD2 3.44Å; M45-L66 HydrophobicContact CE-CG 4.39Å
46V63.3Low82Confident128 Ų12874.5 Ų74.578%0.77641%0.41SS*.THydrogen-bonded Turntrans-56.3117.9173.81710000109.3G43G43-V46 VanDerWaalsContact O-CG2 3.24Å; G43-V46 WeakPolarHBondContact O-CG2 3.33Å; G43-V46 PolarHBondContact O-N 2.87Å
47G66Low81.9Confident83 Ų8378.7 Ų78.786%0.85643%0.433SS*.THydrogen-bonded Turntrans95.9-9.3176.400000117.1M45M45-G47 PolarHBondContact O-N 2.71Å; M45-G47 VanDerWaalsContact O-N 3.11Å
48M63.1Low81.8Confident147 Ų14781.5 Ų81.572%0.72445%0.446SS*.SBendtrans-105.24.9-175.7-76.7-169.4151.400115.6M45M45-M48 PolarHBondContact O-N 2.78Å
49G64.8Low81.9Confident50 Ų5077.7 Ų77.752%0.51543%0.431SS..  trans76.2116.3-170.100000110.7K51 Y54G49-K51 PolarHBondContact O-N 2.8Å; G49-K51 VanDerWaalsContact O-N 3.16Å; G49-Y54 PolarHBondContact O-OH 3.2Å
50Q69.3Low81.9Confident151 Ų15177.1 Ų77.171%0.70643%0.425SS*.  trans-77.8100.5179.9-72.5-178.1-17.400109.3
51K83.3Confident82.1Confident99 Ų9975 Ų7543%0.4343%0.431SS..  trans-91.5143.1158.9-60.5-178.1-174.8171.20108.2G49 S53 Y54 E58G49-K51 PolarHBondContact O-N 2.8Å; G49-K51 VanDerWaalsContact O-N 3.16Å; K51-S53 PolarHBondContact O-N 3.43Å; K51-Y54 HydrophobicContact CB-CE1 4.04Å; K51-Y54 HydrophobicContact CB-CE2 4.12Å; K51-Y54 HydrophobicContact CD-CD1 4.28Å; K51-Y54 HydrophobicContact CD-CE1 3.9Å; K51-Y54 HydrophobicContact CG-CE1 4.23Å; K51-Y54 PolarHBondContact N-OH 3.17Å; K51-Y54 WeakPolarHBondContact O-CE2 3.38Å; K51-E58 IonicContact NZ-OE1 2.95Å; K51-E58 IonicContact NZ-OE2 3.66Å; K51-E58 PolarHBondContact NZ-OE2 3.32Å
52D88.1Confident82.6Confident145 Ų14570.6 Ų70.678%0.77541%0.41SS*.SBendtrans-69-26.9175.7-66.1-32.3000112.4
53S94.4Very high83.3Confident32 Ų3263.9 Ų63.922%0.22438%0.376CS..  trans-148.9152.3179.456.60000112.6G37 K51 K85G37-S53 CarbonylContact O-C 3.49Å; G37-S53 WeakPolarHBondContact O-CA 3.42Å; K51-S53 PolarHBondContact O-N 3.43Å; S53-K85 WeakPolarHBondContact OG-CD 3.22Å
54Y96Very high84.1Confident3 Ų365 Ų651%0.01239%0.387CS..EExtended strand (participates in β ladder)trans-122.6148.5177-61.4-88.2000108.4V36 G37 P39 M45 G49 K51 E58 K62 L66V36-Y54 CarbonylContact C-O 3.57Å; V36-Y54 WeakPolarHBondContact CA-O 3.45Å; G37-Y54 PolarHBondContact N-O 2.89Å; G37-Y54 PolarHBondContact O-N 3.34Å; P39-Y54 HydrophobicContact CG-CE2 4.33Å; M45-Y54 HydrophobicContact CE-CD2 4.08Å; M45-Y54 HydrophobicContact CE-CE2 3.36Å; M45-Y54 HydrophobicContact SD-CE2 3.5Å; M45-Y54 WeakPolarHBondContact SD-CE2 3.22Å; M45-Y54 VanDerWaalsContact SD-CZ 3.57Å; M45-Y54 PolarHBondContact SD-OH 2.98Å; G49-Y54 PolarHBondContact O-OH 3.2Å; K51-Y54 HydrophobicContact CB-CE1 4.04Å; K51-Y54 HydrophobicContact CB-CE2 4.12Å; K51-Y54 HydrophobicContact CD-CD1 4.28Å; K51-Y54 HydrophobicContact CD-CE1 3.9Å; K51-Y54 HydrophobicContact CG-CE1 4.23Å; K51-Y54 PolarHBondContact N-OH 3.17Å; K51-Y54 WeakPolarHBondContact O-CE2 3.38Å; Y54-E58 HydrophobicContact CD1-CG 3.79Å; Y54-E58 WeakPolarHBondContact CD1-OE1 3.19Å; Y54-E58 WeakPolarHBondContact CE1-OE1 3.4Å; Y54-K62 HydrophobicContact CD1-CD 4.22Å; Y54-K62 HydrophobicContact CE1-CD 4.29Å; Y54-K62 VanDerWaalsContact CE1-NZ 3.29Å; Y54-L66 HydrophobicContact CD2-CD1 3.96Å; Y54-L66 HydrophobicContact CD2-CD2 3.86Å; Y54-L66 HydrophobicContact CE2-CD2 4.28Å; Y54-L66 HydrophobicContact CG-CD1 4.07Å
55V98.1Very high85.2Confident12 Ų1265 Ų657%0.07339%0.385CS..EExtended strand (participates in β ladder)trans-129150.6-176.8-177.40000109.5F32 I35 V36 E58 A59 K85 I86 H89F32-V55 HydrophobicContact CE2-CG1 4.4Å; I35-V55 WeakPolarHBondContact O-CA 3.45Å; V36-V55 HydrophobicContact CG2-CG2 4.38Å; V55-E58 PolarHBondContact O-N 3.16Å; V55-A59 PolarHBondContact O-N 3.05Å; V55-K85 HydrophobicContact CG2-CB 4.14Å; V55-I86 HydrophobicContact CG1-CG1 3.97Å; V55-H89 HydrophobicContact CB-CB 3.92Å; V55-H89 HydrophobicContact CG1-CB 3.64Å; V55-H89 HydrophobicContact CG2-CB 4.31Å
56G97.6Very high86.4Confident0 Ų064.5 Ų64.50%038%0.382CS..Hα-helixtrans62.8-137.3169.300000114P33 I35 E58 A59 Q60P33-G56 WeakPolarHBondContact O-CA 3.23Å; I35-G56 PolarHBondContact O-N 2.72Å; I35-G56 VanDerWaalsContact O-N 3.17Å; G56-E58 PolarHBondContact O-N 3.31Å; G56-A59 WeakPolarHBondContact O-CB 3.5Å; G56-A59 PolarHBondContact O-N 3.1Å; G56-Q60 PolarHBondContact O-N 3.2Å
57D97Very high87.9Confident88 Ų8861.7 Ų61.747%0.47137%0.365SS..Hα-helixtrans-62.7-29.9-178.5-66.4-44.3000112.5P33 A59 Q60 S61P33-D57 WeakPolarHBondContact CD-OD1 3.28Å; D57-A59 VanDerWaalsContact C-N 3.34Å; D57-Q60 PolarHBondContact O-N 3.21Å; D57-S61 WeakPolarHBondContact O-CB 3.48Å; D57-S61 PolarHBondContact O-N 2.92Å; D57-S61 PolarHBondContact O-OG 3.32Å
58E95.2Very high89.3Confident58 Ų5859.5 Ų59.527%0.27133%0.334SS..Hα-helixtrans-65.7-39.4174.6-163.3-175.8175.800111.2K51 Y54 V55 G56 S61 K62K51-E58 IonicContact NZ-OE1 2.95Å; K51-E58 IonicContact NZ-OE2 3.66Å; K51-E58 PolarHBondContact NZ-OE2 3.32Å; Y54-E58 HydrophobicContact CD1-CG 3.79Å; Y54-E58 WeakPolarHBondContact CD1-OE1 3.19Å; Y54-E58 WeakPolarHBondContact CE1-OE1 3.4Å; V55-E58 PolarHBondContact O-N 3.16Å; G56-E58 PolarHBondContact O-N 3.31Å; E58-S61 PolarHBondContact O-OG 3.23Å; E58-S61 VanDerWaalsContact O-OG 3.07Å; E58-K62 IonicContact OE1-NZ 2.98Å; E58-K62 PolarHBondContact OE1-NZ 3.35Å
59A96.1Very high91Very high0 Ų057.7 Ų57.70%032%0.322CS..Hα-helixtrans-69.9-41.7173.400000111.4I35 V55 G56 D57 K62 R63 L66 L68I35-A59 HydrophobicContact CD1-CB 3.93Å; I35-A59 HydrophobicContact CG1-CB 3.92Å; V55-A59 PolarHBondContact O-N 3.05Å; G56-A59 WeakPolarHBondContact O-CB 3.5Å; G56-A59 PolarHBondContact O-N 3.1Å; D57-A59 VanDerWaalsContact C-N 3.34Å; A59-K62 CarbonylContact O-C 3.36Å; A59-K62 PolarHBondContact O-N 3.27Å; A59-R63 PolarHBondContact O-N 2.78Å; A59-L66 HydrophobicContact CB-CD1 4.35Å; A59-L68 HydrophobicContact CB-CD2 3.99Å
60Q94.2Very high92.5Very high32 Ų3258 Ų5815%0.1531%0.308CS..Hα-helixtrans-63-46.2-177.4-170.861.717.500112.3P33 I35 G56 D57 K62 R63 E201P33-Q60 HydrophobicContact CG-CB 4.41Å; I35-Q60 HydrophobicContact CD1-CB 3.96Å; G56-Q60 PolarHBondContact O-N 3.2Å; D57-Q60 PolarHBondContact O-N 3.21Å; Q60-K62 PolarHBondContact O-N 3.07Å; Q60-R63 VanDerWaalsContact NE2-NH1 3.18Å; Q60-R63 WeakPolarHBondContact O-CB 3.33Å; Q60-R63 PolarHBondContact O-N 3.07Å; Q60-E201 PolarHBondContact NE2-OE1 2.88Å; Q60-E201 VanDerWaalsContact NE2-OE1 3.15Å; Q60-E201 PolarHBondContact NE2-OE2 2.9Å
61S92.6Very high93.9Very high94 Ų9450.9 Ų50.966%0.65728%0.275SS*.Hα-helixtrans-62.6-23177.756.90000113.4D57 E58D57-S61 WeakPolarHBondContact O-CB 3.48Å; D57-S61 PolarHBondContact O-N 2.92Å; D57-S61 PolarHBondContact O-OG 3.32Å; E58-S61 PolarHBondContact O-OG 3.23Å; E58-S61 VanDerWaalsContact O-OG 3.07Å
62K91.9Very high94.6Very high43 Ų4346.2 Ų46.219%0.18726%0.255CS..THydrogen-bonded Turntrans-104.816.1-179.8-65.4171.1-174.11650113.1Y54 E58 A59 Q60 G64 I65 L66Y54-K62 HydrophobicContact CD1-CD 4.22Å; Y54-K62 HydrophobicContact CE1-CD 4.29Å; Y54-K62 VanDerWaalsContact CE1-NZ 3.29Å; E58-K62 IonicContact OE1-NZ 2.98Å; E58-K62 PolarHBondContact OE1-NZ 3.35Å; A59-K62 CarbonylContact O-C 3.36Å; A59-K62 PolarHBondContact O-N 3.27Å; Q60-K62 PolarHBondContact O-N 3.07Å; K62-G64 PolarHBondContact O-N 3.2Å; K62-I65 HydrophobicContact CB-CD1 4.47Å; K62-I65 HydrophobicContact CB-CG1 4.17Å; K62-I65 VanDerWaalsContact O-CG1 3.28Å; K62-I65 WeakPolarHBondContact O-CG1 3.4Å; K62-I65 PolarHBondContact O-N 2.91Å; K62-L66 HydrophobicContact CB-CD1 3.52Å; K62-L66 HydrophobicContact CB-CG 3.84Å; K62-L66 WeakPolarHBondContact O-CG 3.4Å; K62-L66 PolarHBondContact O-N 3.4Å; K62-L66 VanDerWaalsContact O-N 3.1Å
63R90Very high94.9Very high65 Ų6544.2 Ų44.225%0.24524%0.24CC..THydrogen-bonded Turntrans-52.2-32.3-175.671.9-178-72.1118-7.6115.1A59 Q60 I65 L66 L68 E199 E201A59-R63 PolarHBondContact O-N 2.78Å; Q60-R63 VanDerWaalsContact NE2-NH1 3.18Å; Q60-R63 WeakPolarHBondContact O-CB 3.33Å; Q60-R63 PolarHBondContact O-N 3.07Å; R63-I65 PolarHBondContact O-N 3.15Å; R63-L66 VanDerWaalsContact O-O 3.12Å; R63-L68 HydrophobicContact CB-CD1 3.71Å; R63-L68 HydrophobicContact CB-CG 4.43Å; R63-E199 IonicContact NE-OE2 3.8Å; R63-E201 VanDerWaalsContact CZ-CG 3.42Å; R63-E201 IonicContact CZ-OE1 3.72Å; R63-E201 IonicContact NH1-OE1 2.76Å; R63-E201 PolarHBondContact NH1-OE1 3.17Å
64G88.6Confident95Very high61 Ų6145.6 Ų45.663%0.62924%0.243SC*.THydrogen-bonded Turntrans-65.6-26.2-178.900000113.7K62K62-G64 PolarHBondContact O-N 3.2Å
65I91.2Very high94.9Very high62 Ų6246 Ų4632%0.31825%0.248SC..THydrogen-bonded Turntrans-115.4-5.3-178.159.7169.1000113.5R40 V44 M45 K62 R63R40-I65 PolarHBondContact N-O 2.89Å; V44-I65 HydrophobicContact CG1-CB 3.76Å; V44-I65 HydrophobicContact CG1-CD1 4.33Å; V44-I65 HydrophobicContact CG1-CG2 3.89Å; M45-I65 HydrophobicContact CE-CD1 4.01Å; K62-I65 HydrophobicContact CB-CD1 4.47Å; K62-I65 HydrophobicContact CB-CG1 4.17Å; K62-I65 VanDerWaalsContact O-CG1 3.28Å; K62-I65 WeakPolarHBondContact O-CG1 3.4Å; K62-I65 PolarHBondContact O-N 2.91Å; R63-I65 PolarHBondContact O-N 3.15Å
66L93.8Very high94.9Very high1 Ų147 Ų471%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-105.7151.1178.5-63-177000111.7R38 P39 R40 M45 Y54 A59 K62 R63 L68R38-L66 VanDerWaalsContact C-CD2 3.47Å; R38-L66 CarbonylContact O-C 3.51Å; R38-L66 WeakPolarHBondContact O-CA 3.32Å; P39-L66 HydrophobicContact CB-CD2 4.5Å; P39-L66 HydrophobicContact CG-CD2 4.25Å; R40-L66 PolarHBondContact NE-O 3.14Å; R40-L66 PolarHBondContact NH2-O 3.43Å; M45-L66 HydrophobicContact CE-CD2 3.44Å; M45-L66 VanDerWaalsContact CE-CD2 3.44Å; M45-L66 HydrophobicContact CE-CG 4.39Å; Y54-L66 HydrophobicContact CD2-CD1 3.96Å; Y54-L66 HydrophobicContact CD2-CD2 3.86Å; Y54-L66 HydrophobicContact CE2-CD2 4.28Å; Y54-L66 HydrophobicContact CG-CD1 4.07Å; A59-L66 HydrophobicContact CB-CD1 4.35Å; K62-L66 HydrophobicContact CB-CD1 3.52Å; K62-L66 HydrophobicContact CB-CG 3.84Å; K62-L66 WeakPolarHBondContact O-CG 3.4Å; K62-L66 PolarHBondContact O-N 3.4Å; K62-L66 VanDerWaalsContact O-N 3.1Å; R63-L66 VanDerWaalsContact O-O 3.12Å; L66-L68 HydrophobicContact CB-CD2 4.02Å; L66-L68 HydrophobicContact CD1-CD2 4.46Å
67T94.9Very high95Very high69 Ų6947.7 Ų47.742%0.42326%0.257SS..EExtended strand (participates in β ladder)trans-89.5112.5157.6-58.20000107G37 R38 R40G37-T67 WeakPolarHBondContact CA-O 3.49Å; R38-T67 PolarHBondContact N-O 3.34Å; R38-T67 PolarHBondContact O-N 2.92Å; R40-T67 WeakPolarHBondContact CG-OG1 3.37Å
68L95.7Very high95Very high38 Ų3847 Ų4720%0.19926%0.257CS..EExtended strand (participates in β ladder)trans-87.4135.9177.7-59.4-175.8000110.6I35 A59 R63 L66I35-L68 HydrophobicContact CD1-CD1 4.13Å; I35-L68 HydrophobicContact CD1-CD2 4.25Å; A59-L68 HydrophobicContact CB-CD2 3.99Å; R63-L68 HydrophobicContact CB-CD1 3.71Å; R63-L68 HydrophobicContact CB-CG 4.43Å; L66-L68 HydrophobicContact CB-CD2 4.02Å; L66-L68 HydrophobicContact CD1-CD2 4.46Å
69K97.3Very high95.1Very high109 Ų10946.7 Ų46.747%0.47426%0.256SS..EExtended strand (participates in β ladder)trans-125.8147.3172.4-68.9-168.5174.8-172.60110.5I35 V36I35-K69 WeakPolarHBondContact CA-O 3.22Å; V36-K69 PolarHBondContact N-O 2.98Å; V36-K69 PolarHBondContact O-N 3.25Å
70Y97.1Very high95.2Very high57 Ų5748.8 Ų48.822%0.22427%0.265CS..  trans-109.3111175.8-63.2-97.2000107.6I35 I72I35-Y70 HydrophobicContact CG2-CD1 3.46Å; I35-Y70 VanDerWaalsContact CG2-CD1 3.46Å; I35-Y70 HydrophobicContact CG2-CE1 3.17Å; I35-Y70 HydrophobicContact CG2-CE2 4.31Å; I35-Y70 HydrophobicContact CG2-CG 4.14Å; Y70-I72 PolarHBondContact O-N 3.43Å
71P98Very high95.4Very high0 Ų052.5 Ų52.50%029%0.285CS..SBendtrans-74.6-8.1179.827.9-32.2000113.7S34 V77 T78 N79 D82 M83 I86S34-P71 WeakPolarHBondContact O-CD 3.41Å; P71-V77 CarbonylContact O-C 3.6Å; P71-V77 WeakPolarHBondContact O-CA 3.18Å; P71-T78 PolarHBondContact O-N 3.29Å; P71-T78 PolarHBondContact O-OG1 3.21Å; P71-N79 HydrophobicContact CB-CB 4.1Å; P71-N79 WeakPolarHBondContact CB-O 3.47Å; P71-N79 PolarHBondContact O-N 2.93Å; P71-D82 HydrophobicContact CB-CB 3.76Å; P71-D82 HydrophobicContact CG-CB 4.19Å; P71-M83 HydrophobicContact CB-CB 4.47Å; P71-M83 HydrophobicContact CG-SD 4.43Å; P71-I86 HydrophobicContact CG-CD1 3.31Å; P71-I86 HydrophobicContact CG-CG1 4.35Å
72I98Very high95.7Very high2 Ų248.1 Ų48.11%0.0125%0.254CS..EExtended strand (participates in β ladder)trans-118117.7176.7-52.3175.4000108.5N13 S15 Y70 I76 V77 M83N13-I72 HydrophobicContact CB-CD1 4.17Å; S15-I72 WeakPolarHBondContact OG-CG2 3.49Å; Y70-I72 PolarHBondContact O-N 3.43Å; I72-I76 CarbonylContact C-O 3.59Å; I72-I76 VanDerWaalsContact CA-O 3.32Å; I72-I76 WeakPolarHBondContact CA-O 3.35Å; I72-V77 HydrophobicContact CG1-CG2 4.16Å; I72-M83 HydrophobicContact CD1-CE 4.07Å; I72-M83 HydrophobicContact CD1-SD 3.78Å; I72-M83 HydrophobicContact CG1-SD 3.82Å
73E95.7Very high96Very high102 Ų10246.1 Ų46.148%0.47725%0.246SC..EExtended strand (participates in β ladder)trans-114.1125.5176.2-67.6174.3-139.700109.1G75 I76 T78E73-G75 PolarHBondContact O-N 3.27Å; E73-G75 VanDerWaalsContact O-N 3.13Å; E73-I76 PolarHBondContact N-O 3.23Å; E73-I76 PolarHBondContact O-N 2.96Å; E73-T78 HydrophobicContact CB-CG2 3.9Å; E73-T78 HydrophobicContact CG-CG2 4.18Å; E73-T78 PolarHBondContact OE1-OG1 3.47Å
74H95.4Very high96.4Very high61 Ų6145.3 Ų45.328%0.28225%0.245SC..THydrogen-bonded Turntrans4546.8-177.5-48.3157.8000113.5I76 G159 V160 R178 D180H74-I76 VanDerWaalsContact C-N 3.28Å; H74-I76 PolarHBondContact O-N 3.28Å; H74-G159 WeakPolarHBondContact CA-O 3.29Å; H74-G159 PolarHBondContact CD2-O 3.28Å; H74-V160 HydrophobicContact CB-CB 4.18Å; H74-R178 VanDerWaalsContact O-CZ 3.22Å; H74-R178 PolarHBondContact O-NH1 2.93Å; H74-R178 PolarHBondContact O-NH2 3.48Å; H74-D180 IonicContact CE1-OD2 3.59Å; H74-D180 IonicContact CG-OD2 3.57Å; H74-D180 IonicContact ND1-OD2 3.58Å; H74-D180 PolarHBondContact ND1-OD2 3.25Å
75G95.4Very high96.9Very high12 Ų1245.1 Ų45.112%0.12423%0.227CC..THydrogen-bonded Turntrans76.9-0.4-179.700000116.2S15 E73S15-G75 WeakPolarHBondContact OG-CA 3.48Å; S15-G75 PolarHBondContact OG-N 3.07Å; E73-G75 PolarHBondContact O-N 3.27Å; E73-G75 VanDerWaalsContact O-N 3.13Å
76I97.6Very high97.2Very high32 Ų3242.1 Ų42.116%0.16421%0.212CC..EExtended strand (participates in β ladder)trans-110.6130.4-178.8-55-55.8000109.9I72 E73 H74 T78 P113 N116I72-I76 CarbonylContact C-O 3.59Å; I72-I76 VanDerWaalsContact CA-O 3.32Å; I72-I76 WeakPolarHBondContact CA-O 3.35Å; E73-I76 PolarHBondContact N-O 3.23Å; E73-I76 PolarHBondContact O-N 2.96Å; H74-I76 VanDerWaalsContact C-N 3.28Å; H74-I76 PolarHBondContact O-N 3.28Å; I76-T78 PolarHBondContact O-N 3.33Å; I76-P113 HydrophobicContact CG2-CG 4.48Å; I76-N116 WeakPolarHBondContact CG2-ND2 3.49Å
77V98.3Very high97.4Very high16 Ų1642.1 Ų42.110%0.09721%0.211CC..EExtended strand (participates in β ladder)trans-67.2119172-177.30000109.2P71 I72 W80 M83 N116P71-V77 CarbonylContact O-C 3.6Å; P71-V77 WeakPolarHBondContact O-CA 3.18Å; I72-V77 HydrophobicContact CG1-CG2 4.16Å; V77-W80 HydrophobicContact CB-CH2 3.97Å; V77-W80 HydrophobicContact CB-CZ2 3.86Å; V77-W80 HydrophobicContact CB-CZ3 4.38Å; V77-W80 HydrophobicContact CG1-CD2 3.75Å; V77-W80 HydrophobicContact CG1-CE3 3.86Å; V77-W80 HydrophobicContact CG1-CG 4.32Å; V77-W80 HydrophobicContact CG1-CH2 4.07Å; V77-W80 HydrophobicContact CG1-CZ2 3.94Å; V77-W80 HydrophobicContact CG1-CZ3 4.04Å; V77-W80 HydrophobicContact CG2-CH2 4.09Å; V77-W80 HydrophobicContact CG2-CZ2 4.46Å; V77-W80 HydrophobicContact CG2-CZ3 4.37Å; V77-M83 HydrophobicContact CG1-CB 3.85Å; V77-M83 HydrophobicContact CG1-CG 4.04Å; V77-M83 HydrophobicContact CG2-CG 4.18Å; V77-M83 HydrophobicContact CG2-SD 4.14Å; V77-N116 PolarHBondContact O-ND2 2.94Å
78T97.6Very high97.6Very high74 Ų7443.4 Ų43.445%0.45421%0.212SC..  trans-107.1-18177.558.80000112.7P71 E73 I76P71-T78 PolarHBondContact O-N 3.29Å; P71-T78 PolarHBondContact O-OG1 3.21Å; E73-T78 HydrophobicContact CB-CG2 3.9Å; E73-T78 HydrophobicContact CG-CG2 4.18Å; E73-T78 PolarHBondContact OE1-OG1 3.47Å; I76-T78 PolarHBondContact O-N 3.33Å
79N98.2Very high97.7Very high50 Ų5042.3 Ų42.327%0.26721%0.206SC..  trans-135102.6178-170.4-48.8000111.5P71 D81 D82 M83P71-N79 HydrophobicContact CB-CB 4.1Å; P71-N79 WeakPolarHBondContact CB-O 3.47Å; P71-N79 PolarHBondContact O-N 2.93Å; N79-D81 PolarHBondContact OD1-N 3.28Å; N79-D82 HydrophobicContact CB-CB 4.29Å; N79-D82 PolarHBondContact O-N 2.89Å; N79-D82 WeakPolarHBondContact OD1-CB 3.33Å; N79-D82 PolarHBondContact OD1-N 3.45Å; N79-M83 WeakPolarHBondContact O-CB 3.36Å; N79-M83 PolarHBondContact O-N 2.9Å
80W98.3Very high97.8Very high45 Ų4537.1 Ų37.117%0.1718%0.184CC..Hα-helixtrans-70.6-37.4-177.5-70.8102.8000113.4V77 D82 M83 E84 W87 N116 K119 M120 I123V77-W80 HydrophobicContact CB-CH2 3.97Å; V77-W80 HydrophobicContact CB-CZ2 3.86Å; V77-W80 HydrophobicContact CB-CZ3 4.38Å; V77-W80 HydrophobicContact CG1-CD2 3.75Å; V77-W80 HydrophobicContact CG1-CE3 3.86Å; V77-W80 HydrophobicContact CG1-CG 4.32Å; V77-W80 HydrophobicContact CG1-CH2 4.07Å; V77-W80 HydrophobicContact CG1-CZ2 3.94Å; V77-W80 HydrophobicContact CG1-CZ3 4.04Å; V77-W80 HydrophobicContact CG2-CH2 4.09Å; V77-W80 HydrophobicContact CG2-CZ2 4.46Å; V77-W80 HydrophobicContact CG2-CZ3 4.37Å; W80-D82 PolarHBondContact O-N 3.05Å; W80-M83 HydrophobicContact CE3-CB 4.39Å; W80-M83 PolarHBondContact O-N 3.35Å; W80-M83 VanDerWaalsContact O-N 3.15Å; W80-E84 WeakPolarHBondContact O-CG 3.41Å; W80-E84 PolarHBondContact O-N 2.94Å; W80-W87 AromaticContact CZ3-CH2 3.81Å; W80-W87 HydrophobicContact CZ3-CH2 3.81Å; W80-W87 HydrophobicContact CZ3-CZ3 4.19Å; W80-N116 HydrophobicContact CH2-CB 4.32Å; W80-N116 WeakPolarHBondContact CH2-O 3.45Å; W80-N116 HydrophobicContact CZ2-CB 3.78Å; W80-K119 HydrophobicContact CD2-CB 4.15Å; W80-K119 HydrophobicContact CD2-CG 3.35Å; W80-K119 VanDerWaalsContact CE2-CG 3.46Å; W80-K119 HydrophobicContact CE3-CB 4.39Å; W80-K119 HydrophobicContact CE3-CG 3.67Å; W80-K119 HydrophobicContact CG-CG 3.79Å; W80-K119 HydrophobicContact CH2-CB 3.97Å; W80-K119 HydrophobicContact CH2-CG 4.17Å; W80-K119 HydrophobicContact CZ2-CB 3.71Å; W80-K119 HydrophobicContact CZ2-CG 3.9Å; W80-K119 HydrophobicContact CZ3-CB 4.29Å; W80-K119 HydrophobicContact CZ3-CG 4.05Å; W80-M120 HydrophobicContact CH2-CG 3.53Å; W80-M120 HydrophobicContact CZ3-CG 3.83Å; W80-I123 HydrophobicContact CD2-CD1 4.26Å; W80-I123 HydrophobicContact CE3-CD1 3.42Å; W80-I123 VanDerWaalsContact CE3-CD1 3.42Å; W80-I123 HydrophobicContact CZ3-CD1 3.97Å
81D98.1Very high97.9Very high110 Ų11034.4 Ų34.459%0.58817%0.173SC*.Hα-helixtrans-61.5-34177.2-60.6-14.5000112.2N79 K85N79-D81 PolarHBondContact OD1-N 3.28Å; D81-K85 WeakPolarHBondContact O-CG 3.39Å; D81-K85 PolarHBondContact O-NZ 2.84Å
82D98.4Very high97.9Very high1 Ų139 Ų391%0.00519%0.191CC..Hα-helixtrans-84-30.9176.7-77.9-5.8000111.8V36 R38 P71 N79 W80 K85 I86V36-D82 HydrophobicContact CB-CB 4.23Å; V36-D82 HydrophobicContact CG2-CB 3.74Å; R38-D82 IonicContact CZ-OD1 2.79Å; R38-D82 VanDerWaalsContact CZ-OD1 3.31Å; R38-D82 IonicContact CZ-OD2 3.14Å; R38-D82 IonicContact NH1-OD1 3.97Å; R38-D82 PolarHBondContact NH1-OD1 3.31Å; R38-D82 IonicContact NH1-OD2 3.51Å; R38-D82 PolarHBondContact NH1-OD2 2.93Å; R38-D82 IonicContact NH2-OD1 2.75Å; R38-D82 PolarHBondContact NH2-OD1 2.99Å; R38-D82 IonicContact NH2-OD2 3.17Å; P71-D82 HydrophobicContact CB-CB 3.76Å; P71-D82 HydrophobicContact CG-CB 4.19Å; N79-D82 HydrophobicContact CB-CB 4.29Å; N79-D82 PolarHBondContact O-N 2.89Å; N79-D82 WeakPolarHBondContact OD1-CB 3.33Å; N79-D82 PolarHBondContact OD1-N 3.45Å; W80-D82 PolarHBondContact O-N 3.05Å; D82-K85 PolarHBondContact O-N 3.41Å; D82-K85 IonicContact OD1-NZ 3.84Å; D82-K85 PolarHBondContact OD1-NZ 3.23Å; D82-I86 PolarHBondContact O-N 3.32Å; D82-I86 VanDerWaalsContact O-N 3.07Å
83M98.5Very high97.9Very high1 Ų142.5 Ų42.51%0.00521%0.21CC..Hα-helixtrans-64.7-41.7171.1-164.566.1-15200112.1N13 P71 I72 V77 N79 W80 K85 I86 W87N13-M83 HydrophobicContact CB-CE 4.23Å; N13-M83 WeakPolarHBondContact OD1-CE 3.26Å; P71-M83 HydrophobicContact CB-CB 4.47Å; P71-M83 HydrophobicContact CG-SD 4.43Å; I72-M83 HydrophobicContact CD1-CE 4.07Å; I72-M83 HydrophobicContact CD1-SD 3.78Å; I72-M83 HydrophobicContact CG1-SD 3.82Å; V77-M83 HydrophobicContact CG1-CB 3.85Å; V77-M83 HydrophobicContact CG1-CG 4.04Å; V77-M83 HydrophobicContact CG2-CG 4.18Å; V77-M83 HydrophobicContact CG2-SD 4.14Å; N79-M83 WeakPolarHBondContact O-CB 3.36Å; N79-M83 PolarHBondContact O-N 2.9Å; W80-M83 HydrophobicContact CE3-CB 4.39Å; W80-M83 PolarHBondContact O-N 3.35Å; W80-M83 VanDerWaalsContact O-N 3.15Å; M83-K85 VanDerWaalsContact C-N 3.29Å; M83-K85 PolarHBondContact O-N 3.5Å; M83-I86 HydrophobicContact CE-CG2 4.24Å; M83-I86 WeakPolarHBondContact O-CA 3.27Å; M83-I86 WeakPolarHBondContact O-CB 3Å; M83-I86 PolarHBondContact O-N 3.03Å; M83-I86 VanDerWaalsContact O-N 3.08Å; M83-W87 HydrophobicContact CE-CD2 4.16Å; M83-W87 VanDerWaalsContact CE-CE2 3.41Å; M83-W87 HydrophobicContact CE-CG 4.4Å; M83-W87 HydrophobicContact CE-CZ2 3.8Å; M83-W87 HydrophobicContact CG-CD2 4.18Å; M83-W87 HydrophobicContact CG-CE3 4.26Å; M83-W87 HydrophobicContact CG-CH2 4.1Å; M83-W87 HydrophobicContact CG-CZ2 3.94Å; M83-W87 HydrophobicContact CG-CZ3 4.23Å; M83-W87 PolarHBondContact O-N 3.45Å
84E98.3Very high98Very high49 Ų4940.9 Ų40.923%0.22920%0.202CC..Hα-helixtrans-59.3-39.4174-77-179.6-146.200111.8W80 I86 W87 H88 I123W80-E84 WeakPolarHBondContact O-CG 3.41Å; W80-E84 PolarHBondContact O-N 2.94Å; E84-I86 VanDerWaalsContact C-N 3.35Å; E84-W87 PolarHBondContact O-N 3.31Å; E84-H88 WeakPolarHBondContact O-CB 3.38Å; E84-H88 PolarHBondContact O-N 3.45Å; E84-I123 HydrophobicContact CG-CD1 3.76Å; E84-I123 HydrophobicContact CG-CG1 4.17Å; E84-I123 HydrophobicContact CG-CG2 3.8Å; E84-I123 WeakPolarHBondContact OE1-CD1 3.43Å; E84-I123 WeakPolarHBondContact OE1-CG1 3.34Å
85K98.3Very high98.1Very high56 Ų5638.8 Ų38.824%0.24319%0.193CC..Hα-helixtrans-64.8-38.4173.5-68.8-179.8-162.276.90112.4V36 S53 V55 D81 D82 M83 H89V36-K85 HydrophobicContact CG1-CD 4.06Å; V36-K85 HydrophobicContact CG2-CB 4.39Å; S53-K85 WeakPolarHBondContact OG-CD 3.22Å; V55-K85 HydrophobicContact CG2-CB 4.14Å; D81-K85 WeakPolarHBondContact O-CG 3.39Å; D81-K85 PolarHBondContact O-NZ 2.84Å; D82-K85 PolarHBondContact O-N 3.41Å; D82-K85 IonicContact OD1-NZ 3.84Å; D82-K85 PolarHBondContact OD1-NZ 3.23Å; M83-K85 VanDerWaalsContact C-N 3.29Å; M83-K85 PolarHBondContact O-N 3.5Å; K85-H89 WeakPolarHBondContact O-CB 3.43Å; K85-H89 PolarHBondContact O-N 3.18Å
86I98.6Very high98.2Very high0 Ų048.1 Ų48.10%022%0.224CC..Hα-helixtrans-61.3-49.4174.2-72.2179.5000110C18 F32 V36 V55 P71 D82 M83 E84 H88 H89 T90C18-I86 HydrophobicContact CB-CG2 4.44Å; F32-I86 HydrophobicContact CE2-CG2 4.13Å; F32-I86 HydrophobicContact CZ-CG2 4.22Å; V36-I86 HydrophobicContact CG2-CG1 4.12Å; V55-I86 HydrophobicContact CG1-CG1 3.97Å; P71-I86 HydrophobicContact CG-CD1 3.31Å; P71-I86 HydrophobicContact CG-CG1 4.35Å; D82-I86 PolarHBondContact O-N 3.32Å; D82-I86 VanDerWaalsContact O-N 3.07Å; M83-I86 HydrophobicContact CE-CG2 4.24Å; M83-I86 WeakPolarHBondContact O-CA 3.27Å; M83-I86 WeakPolarHBondContact O-CB 3Å; M83-I86 PolarHBondContact O-N 3.03Å; M83-I86 VanDerWaalsContact O-N 3.08Å; E84-I86 VanDerWaalsContact C-N 3.35Å; I86-H88 PolarHBondContact O-N 2.92Å; I86-H89 WeakPolarHBondContact O-CB 3.35Å; I86-H89 PolarHBondContact O-N 3Å; I86-T90 PolarHBondContact O-N 3Å; I86-T90 PolarHBondContact O-OG1 3.12Å
87W98.7Very high98.3Very high0 Ų047.6 Ų47.60%022%0.223CC..Hα-helixtrans-65.2-40.2178.9-68.9-33.2000113.1N13 W80 M83 E84 H89 T90 F91 L106 M120 I123 M124 F128N13-W87 PolarHBondContact OD1-NE1 3.18Å; W80-W87 AromaticContact CZ3-CH2 3.81Å; W80-W87 HydrophobicContact CZ3-CH2 3.81Å; W80-W87 HydrophobicContact CZ3-CZ3 4.19Å; M83-W87 HydrophobicContact CE-CD2 4.16Å; M83-W87 VanDerWaalsContact CE-CE2 3.41Å; M83-W87 HydrophobicContact CE-CG 4.4Å; M83-W87 HydrophobicContact CE-CZ2 3.8Å; M83-W87 HydrophobicContact CG-CD2 4.18Å; M83-W87 HydrophobicContact CG-CE3 4.26Å; M83-W87 HydrophobicContact CG-CH2 4.1Å; M83-W87 HydrophobicContact CG-CZ2 3.94Å; M83-W87 HydrophobicContact CG-CZ3 4.23Å; M83-W87 PolarHBondContact O-N 3.45Å; E84-W87 PolarHBondContact O-N 3.31Å; W87-H89 VanDerWaalsContact C-N 3.29Å; W87-H89 PolarHBondContact O-N 3.35Å; W87-T90 WeakPolarHBondContact O-CB 3.08Å; W87-T90 PolarHBondContact O-N 3.41Å; W87-T90 VanDerWaalsContact O-N 3.16Å; W87-F91 HydrophobicContact CB-CD2 4.47Å; W87-F91 HydrophobicContact CB-CE2 4.14Å; W87-F91 WeakPolarHBondContact O-CD2 3.07Å; W87-F91 PolarHBondContact O-N 2.94Å; W87-L106 HydrophobicContact CH2-CD1 4.46Å; W87-L106 HydrophobicContact CZ2-CD1 4.2Å; W87-L106 HydrophobicContact CZ2-CD2 3.93Å; W87-M120 HydrophobicContact CH2-CB 4.2Å; W87-M120 HydrophobicContact CH2-CG 3.93Å; W87-M120 HydrophobicContact CZ2-CG 4.42Å; W87-I123 HydrophobicContact CE3-CG2 3.78Å; W87-I123 HydrophobicContact CZ3-CB 4Å; W87-I123 HydrophobicContact CZ3-CD1 3.84Å; W87-I123 HydrophobicContact CZ3-CG2 3.63Å; W87-M124 HydrophobicContact CB-CE 4.3Å; W87-M124 HydrophobicContact CD2-CE 3.35Å; W87-M124 HydrophobicContact CE3-CE 3.35Å; W87-M124 HydrophobicContact CG-CE 3.82Å; W87-M124 HydrophobicContact CH2-CE 3.98Å; W87-M124 HydrophobicContact CZ2-CE 4.05Å; W87-M124 HydrophobicContact CZ3-CE 3.67Å; W87-F128 HydrophobicContact CB-CE2 3.75Å; W87-F128 HydrophobicContact CB-CZ 3.73Å; W87-F128 HydrophobicContact CE3-CE2 4.05Å
88H98.4Very high98.2Very high96 Ų9648 Ų4844%0.44423%0.228SC..Hα-helixtrans-57.3-45.4172.1-176.7-68.7000111E84 I86 F91 Y92 F128E84-H88 WeakPolarHBondContact O-CB 3.38Å; E84-H88 PolarHBondContact O-N 3.45Å; I86-H88 PolarHBondContact O-N 2.92Å; H88-F91 PolarHBondContact O-N 3.37Å; H88-Y92 HydrophobicContact CB-CD2 4.42Å; H88-Y92 AromaticContact CD2-CD2 3.57Å; H88-Y92 AromaticContact CD2-CE2 3.57Å; H88-Y92 AromaticContact CE1-CD2 3.46Å; H88-Y92 VanDerWaalsContact CE1-CD2 3.46Å; H88-Y92 WeakPolarHBondContact CE1-CD2 3.23Å; H88-Y92 AromaticContact CG-CD2 3.64Å; H88-Y92 AromaticContact ND1-CD2 3.58Å; H88-Y92 AromaticContact NE2-CD2 3.48Å; H88-Y92 WeakPolarHBondContact NE2-CD2 3.39Å; H88-Y92 AromaticContact NE2-CE2 3.68Å; H88-Y92 WeakPolarHBondContact O-CB 3.36Å; H88-Y92 VanDerWaalsContact O-CD2 3.22Å; H88-Y92 WeakPolarHBondContact O-CD2 3.41Å; H88-Y92 PolarHBondContact O-N 3.29Å; H88-F128 HydrophobicContact CB-CE1 4.14Å; H88-F128 HydrophobicContact CB-CZ 4.25Å
89H98.5Very high98.2Very high15 Ų1544.4 Ų44.47%0.06921%0.206CC..Hα-helixtrans-62-43.9175-176.870.3000112F32 V55 K85 I86 W87 F91 N93 E94F32-H89 AromaticContact CE2-CD2 3.75Å; F32-H89 AromaticContact CZ-CD2 3.96Å; V55-H89 HydrophobicContact CB-CB 3.92Å; V55-H89 HydrophobicContact CG1-CB 3.64Å; V55-H89 HydrophobicContact CG2-CB 4.31Å; K85-H89 WeakPolarHBondContact O-CB 3.43Å; K85-H89 PolarHBondContact O-N 3.18Å; I86-H89 WeakPolarHBondContact O-CB 3.35Å; I86-H89 PolarHBondContact O-N 3Å; W87-H89 VanDerWaalsContact C-N 3.29Å; W87-H89 PolarHBondContact O-N 3.35Å; H89-F91 PolarHBondContact O-N 3.46Å; H89-N93 WeakPolarHBondContact ND1-CB 3.5Å; H89-N93 PolarHBondContact ND1-OD1 3.03Å; H89-N93 WeakPolarHBondContact O-CA 3.45Å; H89-N93 VanDerWaalsContact O-CB 3.27Å; H89-N93 WeakPolarHBondContact O-CB 3.43Å; H89-N93 PolarHBondContact O-N 2.86Å; H89-E94 IonicContact CE1-OE1 3.66Å; H89-E94 IonicContact NE2-OE1 2.85Å; H89-E94 PolarHBondContact NE2-OE1 2.92Å; H89-E94 PolarHBondContact O-N 2.87Å; H89-E94 VanDerWaalsContact O-N 3.1Å
90T98.7Very high98.2Very high0 Ų046.7 Ų46.70%022%0.215CC..Iπ-helixtrans-54.6-52.2175.1-56.40000111.8I11 A20 F32 I86 W87 L95I11-T90 HydrophobicContact CD1-CG2 3.95Å; I11-T90 HydrophobicContact CG1-CG2 4.16Å; A20-T90 HydrophobicContact CB-CG2 3.29Å; F32-T90 VanDerWaalsContact CZ-OG1 3.31Å; F32-T90 WeakPolarHBondContact CZ-OG1 3.38Å; I86-T90 PolarHBondContact O-N 3Å; I86-T90 PolarHBondContact O-OG1 3.12Å; W87-T90 WeakPolarHBondContact O-CB 3.08Å; W87-T90 PolarHBondContact O-N 3.41Å; W87-T90 VanDerWaalsContact O-N 3.16Å; T90-L95 HydrophobicContact CG2-CD1 4.09Å; T90-L95 HydrophobicContact CG2-CG 4.37Å; T90-L95 WeakPolarHBondContact O-CB 3.41Å; T90-L95 WeakPolarHBondContact O-CG 3.37Å; T90-L95 PolarHBondContact O-N 3Å
91F98.6Very high98.2Very high0 Ų050.6 Ų50.60%024%0.235CC..Iπ-helixtrans-69.9-51.8-176.2-65.4-55.4000112.3L9 I11 W87 H88 H89 R96 V97 P99 V104 M124 F128L9-F91 HydrophobicContact CD1-CD1 3.79Å; L9-F91 HydrophobicContact CD1-CE1 3.66Å; I11-F91 HydrophobicContact CD1-CD1 4.44Å; I11-F91 HydrophobicContact CD1-CE1 3.6Å; I11-F91 HydrophobicContact CD1-CE2 4.45Å; I11-F91 HydrophobicContact CD1-CZ 3.6Å; W87-F91 HydrophobicContact CB-CD2 4.47Å; W87-F91 HydrophobicContact CB-CE2 4.14Å; W87-F91 WeakPolarHBondContact O-CD2 3.07Å; W87-F91 PolarHBondContact O-N 2.94Å; H88-F91 PolarHBondContact O-N 3.37Å; H89-F91 PolarHBondContact O-N 3.46Å; F91-R96 VanDerWaalsContact O-CA 3.31Å; F91-R96 WeakPolarHBondContact O-CA 3.35Å; F91-R96 PolarHBondContact O-N 2.84Å; F91-V97 HydrophobicContact CD1-CG2 4.31Å; F91-V97 PolarHBondContact O-N 2.78Å; F91-P99 HydrophobicContact CB-CG 4.36Å; F91-P99 HydrophobicContact CD1-CB 3.91Å; F91-P99 HydrophobicContact CD2-CB 3.93Å; F91-P99 HydrophobicContact CD2-CG 4.08Å; F91-P99 HydrophobicContact CE1-CB 4Å; F91-P99 HydrophobicContact CE2-CB 4.03Å; F91-P99 HydrophobicContact CG-CB 3.89Å; F91-P99 HydrophobicContact CG-CG 4.12Å; F91-P99 HydrophobicContact CZ-CB 4.06Å; F91-V104 HydrophobicContact CE1-CG1 4.47Å; F91-V104 HydrophobicContact CE1-CG2 4.03Å; F91-V104 HydrophobicContact CZ-CG1 4.24Å; F91-V104 HydrophobicContact CZ-CG2 4.06Å; F91-M124 HydrophobicContact CE2-CE 4.31Å; F91-M124 HydrophobicContact CE2-SD 4.36Å; F91-M124 HydrophobicContact CZ-CE 4.42Å; F91-M124 HydrophobicContact CZ-SD 4.12Å; F91-F128 AromaticContact CD2-CD1 3.76Å; F91-F128 HydrophobicContact CD2-CD1 3.76Å; F91-F128 AromaticContact CD2-CE1 3.86Å; F91-F128 HydrophobicContact CD2-CE1 3.86Å; F91-F128 HydrophobicContact CD2-CG 4.19Å; F91-F128 HydrophobicContact CD2-CZ 4.37Å; F91-F128 HydrophobicContact CE2-CB 4.37Å; F91-F128 AromaticContact CE2-CD1 3.9Å; F91-F128 HydrophobicContact CE2-CD1 3.9Å; F91-F128 HydrophobicContact CE2-CD2 4.06Å; F91-F128 HydrophobicContact CE2-CE1 4.18Å; F91-F128 HydrophobicContact CE2-CE2 4.33Å; F91-F128 AromaticContact CE2-CG 3.84Å; F91-F128 HydrophobicContact CE2-CG 3.84Å; F91-F128 HydrophobicContact CE2-CZ 4.39Å
92Y98.2Very high98.1Very high96 Ų9646.4 Ų46.438%0.37621%0.212SC..Iπ-helixtrans-93.2-27.7-166.5-61-70.2000114.5H88 F128H88-Y92 HydrophobicContact CB-CD2 4.42Å; H88-Y92 AromaticContact CD2-CD2 3.57Å; H88-Y92 AromaticContact CD2-CE2 3.57Å; H88-Y92 AromaticContact CE1-CD2 3.46Å; H88-Y92 VanDerWaalsContact CE1-CD2 3.46Å; H88-Y92 WeakPolarHBondContact CE1-CD2 3.23Å; H88-Y92 AromaticContact CG-CD2 3.64Å; H88-Y92 AromaticContact ND1-CD2 3.58Å; H88-Y92 AromaticContact NE2-CD2 3.48Å; H88-Y92 WeakPolarHBondContact NE2-CD2 3.39Å; H88-Y92 AromaticContact NE2-CE2 3.68Å; H88-Y92 WeakPolarHBondContact O-CB 3.36Å; H88-Y92 VanDerWaalsContact O-CD2 3.22Å; H88-Y92 WeakPolarHBondContact O-CD2 3.41Å; H88-Y92 PolarHBondContact O-N 3.29Å; Y92-F128 HydrophobicContact CE2-CE1 4.41Å
93N97.5Very high98.1Very high76 Ų7646.5 Ų46.541%0.40621%0.213SC..Iπ-helixtrans-98.5-50.5-178.4-64.693.5000112.1H89 R96H89-N93 WeakPolarHBondContact ND1-CB 3.5Å; H89-N93 PolarHBondContact ND1-OD1 3.03Å; H89-N93 WeakPolarHBondContact O-CA 3.45Å; H89-N93 VanDerWaalsContact O-CB 3.27Å; H89-N93 WeakPolarHBondContact O-CB 3.43Å; H89-N93 PolarHBondContact O-N 2.86Å; N93-R96 WeakPolarHBondContact O-CG 3.35Å; N93-R96 PolarHBondContact O-NE 2.85Å
94E98.3Very high98.1Very high68 Ų6846.5 Ų46.532%0.31821%0.212SC..Iπ-helixtrans-81.7-56.3-172.6-63.8-57.7129.100111.6A30 F32 H89A30-E94 HydrophobicContact CB-CB 3.66Å; A30-E94 HydrophobicContact CB-CG 4.21Å; F32-E94 HydrophobicContact CD1-CG 3.79Å; F32-E94 HydrophobicContact CE1-CB 4.49Å; F32-E94 HydrophobicContact CE1-CG 3.78Å; H89-E94 IonicContact CE1-OE1 3.66Å; H89-E94 IonicContact NE2-OE1 2.85Å; H89-E94 PolarHBondContact NE2-OE1 2.92Å; H89-E94 PolarHBondContact O-N 2.87Å; H89-E94 VanDerWaalsContact O-N 3.1Å
95L98.1Very high98.1Very high18 Ų1844.1 Ų44.19%0.09420%0.202CC..Iπ-helixtrans-84.3-27.9179.7-61.6-178.3000113.2L9 A20 R29 T90 V97L9-L95 HydrophobicContact CD1-CD1 4.33Å; L9-L95 HydrophobicContact CD2-CD1 4.01Å; A20-L95 HydrophobicContact CB-CD1 4.04Å; A20-L95 HydrophobicContact CB-CD2 4.26Å; A20-L95 HydrophobicContact CB-CG 4.28Å; R29-L95 HydrophobicContact CB-CD2 3.81Å; R29-L95 HydrophobicContact CG-CD2 4.42Å; T90-L95 HydrophobicContact CG2-CD1 4.09Å; T90-L95 HydrophobicContact CG2-CG 4.37Å; T90-L95 WeakPolarHBondContact O-CB 3.41Å; T90-L95 WeakPolarHBondContact O-CG 3.37Å; T90-L95 PolarHBondContact O-N 3Å; L95-V97 HydrophobicContact CB-CG1 4.35Å; L95-V97 HydrophobicContact CB-CG2 3.86Å; L95-V97 HydrophobicContact CD1-CG2 4.48Å
96R98.1Very high98.1Very high207 Ų20741.5 Ų41.578%0.78119%0.19SC*.  trans56.747.9-178.1-53.1-179.5-177.3-172.41.5113F91 N93F91-R96 VanDerWaalsContact O-CA 3.31Å; F91-R96 WeakPolarHBondContact O-CA 3.35Å; F91-R96 PolarHBondContact O-N 2.84Å; N93-R96 WeakPolarHBondContact O-CG 3.35Å; N93-R96 PolarHBondContact O-NE 2.85Å
97V98Very high98.1Very high21 Ų2141.5 Ų41.513%0.12719%0.19CC..  trans-122.3159.6-179.4-63.70000111.3L9 F22 F91 L95L9-V97 HydrophobicContact CD1-CG2 3.68Å; L9-V97 HydrophobicContact CD2-CG2 4.48Å; F22-V97 HydrophobicContact CE1-CG1 4.07Å; F22-V97 HydrophobicContact CZ-CG1 3.62Å; F91-V97 HydrophobicContact CD1-CG2 4.31Å; F91-V97 PolarHBondContact O-N 2.78Å; L95-V97 HydrophobicContact CB-CG1 4.35Å; L95-V97 HydrophobicContact CB-CG2 3.86Å; L95-V97 HydrophobicContact CD1-CG2 4.48Å
98A97.7Very high98Very high24 Ų2442.1 Ų42.120%0.19819%0.193CC..  trans-89.3110.616900000109E100 E101 H102A98-E100 HydrophobicContact CB-CG 4.32Å; A98-E100 PolarHBondContact O-N 3.01Å; A98-E100 VanDerWaalsContact O-N 3.14Å; A98-E101 HydrophobicContact CB-CG 4.04Å; A98-E101 PolarHBondContact O-N 3.44Å; A98-H102 PolarHBondContact O-CD2 3.44Å
99P97.8Very high97.9Very high0 Ų037.6 Ų37.60%017%0.172CC..G310 helixtrans-60-25.4-175.923.3-32.6000113.8F91 E101 H102 F128 T130F91-P99 HydrophobicContact CB-CG 4.36Å; F91-P99 HydrophobicContact CD1-CB 3.91Å; F91-P99 HydrophobicContact CD2-CB 3.93Å; F91-P99 HydrophobicContact CD2-CG 4.08Å; F91-P99 HydrophobicContact CE1-CB 4Å; F91-P99 HydrophobicContact CE2-CB 4.03Å; F91-P99 HydrophobicContact CG-CB 3.89Å; F91-P99 HydrophobicContact CG-CG 4.12Å; F91-P99 HydrophobicContact CZ-CB 4.06Å; P99-E101 PolarHBondContact O-N 2.78Å; P99-H102 PolarHBondContact O-N 3.29Å; P99-F128 HydrophobicContact CB-CB 4.07Å; P99-F128 HydrophobicContact CG-CB 4.02Å; P99-F128 HydrophobicContact CG-CD1 3.99Å; P99-F128 HydrophobicContact CG-CG 4.44Å; P99-T130 HydrophobicContact CB-CG2 4.24Å
100E97.7Very high97.7Very high97 Ų9737 Ų3745%0.45317%0.169SC..G310 helixtrans-66.1-13.2174.862.7-94-137.400114.4A98 N129 P131A98-E100 HydrophobicContact CB-CG 4.32Å; A98-E100 PolarHBondContact O-N 3.01Å; A98-E100 VanDerWaalsContact O-N 3.14Å; E100-N129 WeakPolarHBondContact CA-O 3.33Å; E100-N129 HydrophobicContact CB-CB 4.02Å; E100-P131 WeakPolarHBondContact O-CD 3.35Å
101E97.1Very high97.4Very high128 Ų12841.9 Ų41.960%0.59820%0.195SC*.G310 helixtrans-93.3-17176.9-62.5-178.7165.900112.3V6 A98 P99V6-E101 VanDerWaalsContact CG1-O 3.28Å; V6-E101 WeakPolarHBondContact CG1-O 3.4Å; A98-E101 HydrophobicContact CB-CG 4.04Å; A98-E101 PolarHBondContact O-N 3.44Å; P99-E101 PolarHBondContact O-N 2.78Å
102H97.4Very high97.3Very high22 Ų2242.8 Ų42.810%0.10220%0.2CC..SBendtrans-124.9134.7-168-63.7-91.5000114V6 A7 L9 F22 A98 P99 P131V6-H102 VanDerWaalsContact CG1-ND1 3.34Å; V6-H102 WeakPolarHBondContact CG1-ND1 3.39Å; A7-H102 PolarHBondContact O-ND1 3.11Å; L9-H102 HydrophobicContact CD1-CB 3.8Å; L9-H102 HydrophobicContact CG-CB 3.75Å; F22-H102 AromaticContact CE1-CE1 3.96Å; A98-H102 PolarHBondContact O-CD2 3.44Å; P99-H102 PolarHBondContact O-N 3.29Å; H102-P131 VanDerWaalsContact O-CD 3.28Å; H102-P131 WeakPolarHBondContact O-CD 3.26Å
103P97.4Very high97.2Very high3 Ų341 Ų412%0.01920%0.2CC..  trans-58.5143.9163.8-21.633.3000111.4C2 A8 L9 A132 W350C2-P103 HydrophobicContact CB-CG 4.27Å; A8-P103 CarbonylContact C-O 3.58Å; A8-P103 VanDerWaalsContact CA-O 3.3Å; A8-P103 WeakPolarHBondContact CA-O 3.33Å; A8-P103 HydrophobicContact CB-CB 3.99Å; L9-P103 PolarHBondContact N-O 2.88Å; P103-A132 CarbonylContact C-O 3.55Å; P103-A132 VanDerWaalsContact CA-O 3.26Å; P103-A132 WeakPolarHBondContact CA-O 3.24Å; P103-A132 HydrophobicContact CB-CB 4.21Å; P103-W350 HydrophobicContact CB-CD2 4.42Å; P103-W350 HydrophobicContact CB-CE3 4.45Å; P103-W350 HydrophobicContact CB-CH2 4.17Å; P103-W350 HydrophobicContact CB-CZ2 4.13Å; P103-W350 HydrophobicContact CB-CZ3 4.34Å
104V98.5Very high97.1Very high0 Ų044.3 Ų44.30%021%0.211CC..EExtended strand (participates in β ladder)trans-124.8119-177.9-174.60000112.2L9 I11 F91 L106 M124 T130 A132 M133 Y134L9-V104 HydrophobicContact CB-CG2 4.34Å; L9-V104 HydrophobicContact CD1-CG2 4.41Å; L9-V104 CarbonylContact O-C 3.5Å; L9-V104 WeakPolarHBondContact O-CA 3.29Å; I11-V104 HydrophobicContact CD1-CG1 3.95Å; I11-V104 HydrophobicContact CG1-CG1 4.37Å; F91-V104 HydrophobicContact CE1-CG1 4.47Å; F91-V104 HydrophobicContact CE1-CG2 4.03Å; F91-V104 HydrophobicContact CZ-CG1 4.24Å; F91-V104 HydrophobicContact CZ-CG2 4.06Å; V104-L106 HydrophobicContact CG1-CD2 4.39Å; V104-L106 HydrophobicContact CG1-CG 4.24Å; V104-M124 HydrophobicContact CG1-SD 4.22Å; V104-T130 HydrophobicContact CB-CG2 4.3Å; V104-T130 HydrophobicContact CG2-CG2 3.55Å; V104-A132 PolarHBondContact N-O 3.32Å; V104-M133 CarbonylContact O-C 3.57Å; V104-M133 WeakPolarHBondContact O-CA 3.4Å; V104-M133 VanDerWaalsContact O-CB 3.31Å; V104-M133 WeakPolarHBondContact O-CB 3.46Å; V104-Y134 PolarHBondContact O-N 3.33Å
105L98.5Very high97.1Very high0 Ų044.2 Ų44.20%022%0.221CC..EExtended strand (participates in β ladder)trans-91.7118.1166.6-170.7151.7000109.6L9 V10 I11 T107 Y134 A136 L141 L340 A341 F346 W350L9-L105 PolarHBondContact O-N 2.87Å; V10-L105 WeakPolarHBondContact CA-O 3.08Å; V10-L105 HydrophobicContact CG1-CD2 4.16Å; V10-L105 HydrophobicContact CG2-CB 4.38Å; I11-L105 PolarHBondContact N-O 3.2Å; L105-T107 HydrophobicContact CD2-CG2 4.21Å; L105-Y134 WeakPolarHBondContact CA-O 3.31Å; L105-Y134 HydrophobicContact CD1-CD1 4.42Å; L105-A136 HydrophobicContact CD2-CB 4.23Å; L105-L141 HydrophobicContact CD2-CD1 4.1Å; L105-L340 HydrophobicContact CD1-CD2 4.2Å; L105-A341 HydrophobicContact CD1-CB 4.19Å; L105-F346 HydrophobicContact CD1-CE1 4.2Å; L105-F346 HydrophobicContact CD1-CZ 4.16Å; L105-W350 HydrophobicContact CB-CH2 3.85Å; L105-W350 HydrophobicContact CB-CZ3 4.1Å
106L98.6Very high97.1Very high0 Ų044.3 Ų44.30%022%0.222CC..EExtended strand (participates in β ladder)trans-100.2146.5171.8-68.7165.6000110.2I11 W87 V104 M120 M124 M133 Y134 V135 A136I11-L106 HydrophobicContact CB-CD2 3.98Å; I11-L106 HydrophobicContact CD1-CD2 4.39Å; I11-L106 HydrophobicContact CG2-CD2 4.23Å; W87-L106 HydrophobicContact CH2-CD1 4.46Å; W87-L106 HydrophobicContact CZ2-CD1 4.2Å; W87-L106 HydrophobicContact CZ2-CD2 3.93Å; V104-L106 HydrophobicContact CG1-CD2 4.39Å; V104-L106 HydrophobicContact CG1-CG 4.24Å; L106-M120 HydrophobicContact CD1-CB 4.14Å; L106-M120 HydrophobicContact CD1-SD 4.45Å; L106-M124 HydrophobicContact CD1-CE 3.95Å; L106-M124 HydrophobicContact CD1-CG 3.61Å; L106-M124 HydrophobicContact CD1-SD 4.07Å; L106-M124 HydrophobicContact CD2-CE 4.12Å; L106-M133 HydrophobicContact CD1-CE 4.08Å; L106-Y134 PolarHBondContact N-O 2.76Å; L106-V135 CarbonylContact O-C 3.57Å; L106-V135 WeakPolarHBondContact O-CA 3.31Å; L106-A136 PolarHBondContact O-N 3.15Å
107T98.1Very high97.1Very high1 Ų135.8 Ų35.81%0.00619%0.19CC..EExtended strand (participates in β ladder)trans-99.7151.1171.3770000111.9I11 D12 N13 L105 A136 Q138 L141 V333I11-T107 PolarHBondContact O-N 2.81Å; D12-T107 VanDerWaalsContact CA-OG1 3.24Å; D12-T107 WeakPolarHBondContact CA-OG1 3.44Å; D12-T107 HydrophobicContact CB-CG2 4.11Å; D12-T107 PolarHBondContact OD1-OG1 3.45Å; N13-T107 PolarHBondContact N-OG1 2.81Å; N13-T107 PolarHBondContact ND2-O 3.38Å; L105-T107 HydrophobicContact CD2-CG2 4.21Å; T107-A136 CarbonylContact C-O 3.57Å; T107-A136 VanDerWaalsContact CA-O 3.28Å; T107-A136 WeakPolarHBondContact CA-O 3.36Å; T107-Q138 PolarHBondContact OG1-NE2 3.17Å; T107-L141 HydrophobicContact CG2-CD1 3.63Å; T107-V333 HydrophobicContact CG2-CG1 3.8Å
108E97.1Very high97.1Very high13 Ų1338 Ų386%0.06120%0.199CC..EExtended strand (participates in β ladder)trans-135.5150.9172.669.1176-172.100112.8N112 R117 M120 V135 A136 I137 Q138E108-N112 HydrophobicContact CB-CB 4.25Å; E108-N112 HydrophobicContact CG-CB 4.38Å; E108-N112 WeakPolarHBondContact OE2-CB 3.35Å; E108-N112 PolarHBondContact OE2-ND2 3.03Å; E108-R117 WeakPolarHBondContact OE1-CD 3.19Å; E108-R117 IonicContact OE1-CZ 3.37Å; E108-R117 IonicContact OE1-NE 2.72Å; E108-R117 IonicContact OE1-NH1 3.85Å; E108-R117 WeakPolarHBondContact OE2-CD 3.43Å; E108-R117 WeakPolarHBondContact OE2-CG 3.31Å; E108-M120 HydrophobicContact CB-CE 4.23Å; E108-M120 WeakPolarHBondContact OE2-CE 3.43Å; E108-V135 HydrophobicContact CB-CG1 3.98Å; E108-V135 HydrophobicContact CG-CG1 3.63Å; E108-V135 WeakPolarHBondContact OE2-CG1 3.36Å; E108-A136 PolarHBondContact N-O 3.1Å; E108-I137 WeakPolarHBondContact O-CA 3.34Å; E108-Q138 VanDerWaalsContact O-CG 3.32Å; E108-Q138 WeakPolarHBondContact O-CG 3.38Å; E108-Q138 PolarHBondContact O-N 3.08Å
109A95.6Very high97.1Very high1 Ų139.9 Ų39.91%0.00820%0.203CC..  trans-64.2149.4168.800000110.4N112A109-N112 WeakPolarHBondContact O-CB 3.48Å; A109-N112 PolarHBondContact O-N 2.77Å
110P94.6Very high97.1Very high1 Ų140.1 Ų40.11%0.00620%0.204CC..THydrogen-bonded Turntrans-60.6148.6172.429.5-37.2000110.8N112 I137 H162 V164 I176P110-N112 PolarHBondContact O-N 2.72Å; P110-I137 HydrophobicContact CB-CG2 4.07Å; P110-H162 HydrophobicContact CG-CB 3.77Å; P110-H162 VanDerWaalsContact CG-CD2 3.41Å; P110-H162 WeakPolarHBondContact CG-CD2 3.17Å; P110-H162 VanDerWaalsContact CG-CG 3.43Å; P110-V164 HydrophobicContact CB-CG2 4.04Å; P110-V164 HydrophobicContact CG-CG2 3.76Å; P110-I176 HydrophobicContact CB-CD1 3.97Å; P110-I176 HydrophobicContact CB-CG2 4.04Å; P110-I176 HydrophobicContact CG-CG2 4.29Å
111L92.7Very high97.2Very high104 Ų10435.5 Ų35.555%0.54518%0.182SC..THydrogen-bonded Turntrans6323.8-176.8-47.7174.9000114.3I176L111-I176 HydrophobicContact CD1-CB 4.4Å; L111-I176 HydrophobicContact CD1-CG2 3.96Å; L111-I176 HydrophobicContact CD2-CD1 4.34Å; L111-I176 HydrophobicContact CG-CG2 4.1Å
112N95.6Very high97.2Very high19 Ų1932.1 Ų32.110%0.10217%0.167CC..  trans-57.1136.2173.6-169.634.9000111.1E108 A109 P110 K114E108-N112 HydrophobicContact CB-CB 4.25Å; E108-N112 HydrophobicContact CG-CB 4.38Å; E108-N112 WeakPolarHBondContact OE2-CB 3.35Å; E108-N112 PolarHBondContact OE2-ND2 3.03Å; A109-N112 WeakPolarHBondContact O-CB 3.48Å; A109-N112 PolarHBondContact O-N 2.77Å; P110-N112 PolarHBondContact O-N 2.72Å; N112-K114 PolarHBondContact O-N 3.21Å
113P96.6Very high97.3Very high58 Ų5831.1 Ų31.138%0.37716%0.162SC..  trans-54.8138.9177.7-29.436.3000112.8I76 A115 N116 R117I76-P113 HydrophobicContact CG2-CG 4.48Å; P113-A115 PolarHBondContact O-N 3.25Å; P113-N116 HydrophobicContact CB-CB 4.33Å; P113-N116 WeakPolarHBondContact O-CA 3.48Å; P113-N116 WeakPolarHBondContact O-CB 3.08Å; P113-N116 PolarHBondContact O-N 3.49Å; P113-R117 PolarHBondContact O-N 3.17Å
114K96.6Very high97.3Very high146 Ų14631 Ų3164%0.63516%0.161SC*.Hα-helixtrans-56-39.7177.4-74.3-170.4175.8-175.30112.9N112 N116 R117 E118 H365N112-K114 PolarHBondContact O-N 3.21Å; K114-N116 PolarHBondContact O-N 3.44Å; K114-R117 WeakPolarHBondContact O-CB 3.27Å; K114-R117 PolarHBondContact O-N 2.77Å; K114-R117 VanDerWaalsContact O-N 3.17Å; K114-E118 PolarHBondContact O-N 3.35Å; K114-H365 VanDerWaalsContact CB-CE1 3.47Å; K114-H365 WeakPolarHBondContact CB-CE1 3.35Å; K114-H365 PolarHBondContact O-CE1 3.19Å
115A97.7Very high97.4Very high65 Ų6531.1 Ų31.154%0.53716%0.162SC..Hα-helixtrans-60.9-34.6175.900000112.2P113 E118 K119P113-A115 PolarHBondContact O-N 3.25Å; A115-E118 PolarHBondContact O-N 3.49Å; A115-K119 WeakPolarHBondContact O-CB 3.33Å; A115-K119 PolarHBondContact O-N 3.5Å
116N98Very high97.3Very high20 Ų2036 Ų3611%0.10719%0.185CC..Hα-helixtrans-68.7-41176.3-76.422000111.1I76 V77 W80 P113 K114 K119 M120I76-N116 WeakPolarHBondContact CG2-ND2 3.49Å; V77-N116 PolarHBondContact O-ND2 2.94Å; W80-N116 HydrophobicContact CH2-CB 4.32Å; W80-N116 WeakPolarHBondContact CH2-O 3.45Å; W80-N116 HydrophobicContact CZ2-CB 3.78Å; P113-N116 HydrophobicContact CB-CB 4.33Å; P113-N116 WeakPolarHBondContact O-CA 3.48Å; P113-N116 WeakPolarHBondContact O-CB 3.08Å; P113-N116 PolarHBondContact O-N 3.49Å; K114-N116 PolarHBondContact O-N 3.44Å; N116-K119 PolarHBondContact O-N 3.05Å; N116-M120 WeakPolarHBondContact O-CG 3.1Å; N116-M120 PolarHBondContact O-N 3.18Å
117R97.4Very high97.3Very high28 Ų2839.4 Ų39.411%0.10621%0.205CC..Hα-helixtrans-58.1-48.5174-69.5179.557.6174.5-8.2112.1E108 P113 K114 K119 M120 T121 V364 C368E108-R117 WeakPolarHBondContact OE1-CD 3.19Å; E108-R117 IonicContact OE1-CZ 3.37Å; E108-R117 IonicContact OE1-NE 2.72Å; E108-R117 IonicContact OE1-NH1 3.85Å; E108-R117 WeakPolarHBondContact OE2-CD 3.43Å; E108-R117 WeakPolarHBondContact OE2-CG 3.31Å; P113-R117 PolarHBondContact O-N 3.17Å; K114-R117 WeakPolarHBondContact O-CB 3.27Å; K114-R117 PolarHBondContact O-N 2.77Å; K114-R117 VanDerWaalsContact O-N 3.17Å; R117-K119 VanDerWaalsContact C-N 3.3Å; R117-K119 PolarHBondContact O-N 3.09Å; R117-M120 HydrophobicContact CB-CE 4.44Å; R117-M120 HydrophobicContact CG-CE 4.07Å; R117-M120 PolarHBondContact O-N 2.91Å; R117-T121 PolarHBondContact O-N 2.91Å; R117-T121 PolarHBondContact O-OG1 2.93Å; R117-T121 VanDerWaalsContact O-OG1 3.13Å; R117-V364 HydrophobicContact CB-CG1 3.82Å; R117-V364 HydrophobicContact CB-CG2 4.38Å; R117-V364 PolarHBondContact NH2-O 3.24Å; R117-C368 PolarHBondContact NH2-O 3.35Å
118E98.4Very high97.4Very high69 Ų6939.8 Ų39.832%0.32221%0.207SC..Hα-helixtrans-59.5-42.1175.5-71.6172.6-156.900111.6K114 A115 T121 Q122 P361 V364 H365K114-E118 PolarHBondContact O-N 3.35Å; A115-E118 PolarHBondContact O-N 3.49Å; E118-T121 WeakPolarHBondContact O-CB 3.24Å; E118-T121 PolarHBondContact O-N 2.81Å; E118-Q122 WeakPolarHBondContact O-CB 3.35Å; E118-Q122 PolarHBondContact O-N 3.4Å; E118-P361 HydrophobicContact CB-CB 3.76Å; E118-P361 HydrophobicContact CG-CB 4.1Å; E118-V364 HydrophobicContact CG-CG1 4.38Å; E118-H365 WeakPolarHBondContact CG-NE2 3.46Å; E118-H365 IonicContact OE1-CD2 3.9Å; E118-H365 PolarHBondContact OE1-CD2 3.31Å; E118-H365 IonicContact OE1-CE1 2.74Å; E118-H365 IonicContact OE1-NE2 2.7Å; E118-H365 PolarHBondContact OE1-NE2 3.49Å
119K98.5Very high97.4Very high63 Ų6342.8 Ų42.827%0.27422%0.223SC..Hα-helixtrans-68-39-179.8-17060.1-178.1172.90112.9W80 A115 N116 R117 T121 Q122 I123W80-K119 HydrophobicContact CD2-CB 4.15Å; W80-K119 HydrophobicContact CD2-CG 3.35Å; W80-K119 VanDerWaalsContact CE2-CG 3.46Å; W80-K119 HydrophobicContact CE3-CB 4.39Å; W80-K119 HydrophobicContact CE3-CG 3.67Å; W80-K119 HydrophobicContact CG-CG 3.79Å; W80-K119 HydrophobicContact CH2-CB 3.97Å; W80-K119 HydrophobicContact CH2-CG 4.17Å; W80-K119 HydrophobicContact CZ2-CB 3.71Å; W80-K119 HydrophobicContact CZ2-CG 3.9Å; W80-K119 HydrophobicContact CZ3-CB 4.29Å; W80-K119 HydrophobicContact CZ3-CG 4.05Å; A115-K119 WeakPolarHBondContact O-CB 3.33Å; A115-K119 PolarHBondContact O-N 3.5Å; N116-K119 PolarHBondContact O-N 3.05Å; R117-K119 VanDerWaalsContact C-N 3.3Å; R117-K119 PolarHBondContact O-N 3.09Å; K119-T121 VanDerWaalsContact C-N 3.29Å; K119-T121 PolarHBondContact O-N 2.83Å; K119-Q122 VanDerWaalsContact NZ-OE1 3.08Å; K119-Q122 PolarHBondContact O-N 2.63Å; K119-I123 HydrophobicContact CD-CD1 4.27Å; K119-I123 HydrophobicContact CD-CG1 4.44Å; K119-I123 HydrophobicContact CG-CD1 3.99Å; K119-I123 WeakPolarHBondContact O-CD1 3.49Å; K119-I123 VanDerWaalsContact O-CG1 3.3Å; K119-I123 WeakPolarHBondContact O-CG1 3.47Å; K119-I123 PolarHBondContact O-N 2.87Å
120M98.1Very high97.5Very high4 Ų442.7 Ų42.72%0.0222%0.223CC..Hα-helixtrans-56.9-46.8170.3-64.3-168.4-77.500110.6W80 W87 L106 E108 N116 R117 I123 M124 V135W80-M120 HydrophobicContact CH2-CG 3.53Å; W80-M120 HydrophobicContact CZ3-CG 3.83Å; W87-M120 HydrophobicContact CH2-CB 4.2Å; W87-M120 HydrophobicContact CH2-CG 3.93Å; W87-M120 HydrophobicContact CZ2-CG 4.42Å; L106-M120 HydrophobicContact CD1-CB 4.14Å; L106-M120 HydrophobicContact CD1-SD 4.45Å; E108-M120 HydrophobicContact CB-CE 4.23Å; E108-M120 WeakPolarHBondContact OE2-CE 3.43Å; N116-M120 WeakPolarHBondContact O-CG 3.1Å; N116-M120 PolarHBondContact O-N 3.18Å; R117-M120 HydrophobicContact CB-CE 4.44Å; R117-M120 HydrophobicContact CG-CE 4.07Å; R117-M120 PolarHBondContact O-N 2.91Å; M120-I123 PolarHBondContact O-N 3.16Å; M120-M124 WeakPolarHBondContact O-CG 3.48Å; M120-M124 PolarHBondContact O-N 2.85Å; M120-M124 VanDerWaalsContact O-N 3.07Å; M120-V135 HydrophobicContact CE-CG1 3.61Å; M120-V135 HydrophobicContact CE-CG2 4.04Å
121T98.3Very high97.7Very high0 Ų044.3 Ų44.30%023%0.233CC..Hα-helixtrans-62.5-46.8-180-61.20000112.6R117 E118 K119 I123 M124 F125 M133 Y356 I363 V364R117-T121 PolarHBondContact O-N 2.91Å; R117-T121 PolarHBondContact O-OG1 2.93Å; R117-T121 VanDerWaalsContact O-OG1 3.13Å; E118-T121 WeakPolarHBondContact O-CB 3.24Å; E118-T121 PolarHBondContact O-N 2.81Å; K119-T121 VanDerWaalsContact C-N 3.29Å; K119-T121 PolarHBondContact O-N 2.83Å; T121-I123 PolarHBondContact O-N 3.29Å; T121-M124 PolarHBondContact O-N 3.23Å; T121-F125 HydrophobicContact CG2-CD2 3.81Å; T121-F125 HydrophobicContact CG2-CE2 3.86Å; T121-F125 WeakPolarHBondContact O-CD2 3.46Å; T121-F125 PolarHBondContact O-N 3.18Å; T121-M133 VanDerWaalsContact CA-SD 3.5Å; T121-M133 HydrophobicContact CG2-SD 3.9Å; T121-Y356 HydrophobicContact CG2-CD2 3.73Å; T121-Y356 HydrophobicContact CG2-CE2 3.89Å; T121-I363 HydrophobicContact CG2-CG2 4.45Å; T121-V364 WeakPolarHBondContact OG1-CB 3.32Å
122Q98.5Very high97.9Very high58 Ų5839.6 Ų39.627%0.27121%0.209SC..Hα-helixtrans-56.4-49.5176.3-170.8-168.36.600111.4E118 K119 F125 E126 P361E118-Q122 WeakPolarHBondContact O-CB 3.35Å; E118-Q122 PolarHBondContact O-N 3.4Å; K119-Q122 VanDerWaalsContact NZ-OE1 3.08Å; K119-Q122 PolarHBondContact O-N 2.63Å; Q122-F125 PolarHBondContact O-N 2.93Å; Q122-E126 HydrophobicContact CG-CG 4.15Å; Q122-E126 VanDerWaalsContact CG-OE2 3.26Å; Q122-E126 WeakPolarHBondContact CG-OE2 3.5Å; Q122-E126 PolarHBondContact NE2-OE2 2.85Å; Q122-E126 VanDerWaalsContact O-CB 3.24Å; Q122-E126 WeakPolarHBondContact O-CB 3.22Å; Q122-E126 WeakPolarHBondContact O-CG 3.18Å; Q122-E126 PolarHBondContact O-N 3.17Å; Q122-P361 HydrophobicContact CB-CG 4.13Å; Q122-P361 HydrophobicContact CG-CG 4.49Å
123I98.6Very high98Very high1 Ų138.7 Ų38.71%0.00520%0.204CC..Iπ-helixtrans-64.1-45.7-176.4-70.2164.9000111.4W80 E84 W87 K119 M120 T121 F125 T127 F128W80-I123 HydrophobicContact CD2-CD1 4.26Å; W80-I123 HydrophobicContact CE3-CD1 3.42Å; W80-I123 VanDerWaalsContact CE3-CD1 3.42Å; W80-I123 HydrophobicContact CZ3-CD1 3.97Å; E84-I123 HydrophobicContact CG-CD1 3.76Å; E84-I123 HydrophobicContact CG-CG1 4.17Å; E84-I123 HydrophobicContact CG-CG2 3.8Å; E84-I123 WeakPolarHBondContact OE1-CD1 3.43Å; E84-I123 WeakPolarHBondContact OE1-CG1 3.34Å; W87-I123 HydrophobicContact CE3-CG2 3.78Å; W87-I123 HydrophobicContact CZ3-CB 4Å; W87-I123 HydrophobicContact CZ3-CD1 3.84Å; W87-I123 HydrophobicContact CZ3-CG2 3.63Å; K119-I123 HydrophobicContact CD-CD1 4.27Å; K119-I123 HydrophobicContact CD-CG1 4.44Å; K119-I123 HydrophobicContact CG-CD1 3.99Å; K119-I123 WeakPolarHBondContact O-CD1 3.49Å; K119-I123 VanDerWaalsContact O-CG1 3.3Å; K119-I123 WeakPolarHBondContact O-CG1 3.47Å; K119-I123 PolarHBondContact O-N 2.87Å; M120-I123 PolarHBondContact O-N 3.16Å; T121-I123 PolarHBondContact O-N 3.29Å; I123-F125 VanDerWaalsContact C-N 3.33Å; I123-F125 PolarHBondContact O-N 3.02Å; I123-T127 WeakPolarHBondContact O-CA 3.4Å; I123-T127 VanDerWaalsContact O-CB 3.23Å; I123-T127 WeakPolarHBondContact O-CB 3.28Å; I123-T127 PolarHBondContact O-N 3.45Å; I123-F128 HydrophobicContact CG2-CD2 3.7Å; I123-F128 HydrophobicContact CG2-CE2 3.55Å; I123-F128 PolarHBondContact O-N 3.16Å; I123-F128 VanDerWaalsContact O-N 3.09Å
124M98.6Very high98.1Very high0 Ų036.9 Ų36.90%019%0.19CC..Iπ-helixtrans-60.3-43.1-179.1-71.4-65.413500111.9W87 F91 V104 L106 M120 T121 F128 N129 T130 M133W87-M124 HydrophobicContact CB-CE 4.3Å; W87-M124 HydrophobicContact CD2-CE 3.35Å; W87-M124 HydrophobicContact CE3-CE 3.35Å; W87-M124 HydrophobicContact CG-CE 3.82Å; W87-M124 HydrophobicContact CH2-CE 3.98Å; W87-M124 HydrophobicContact CZ2-CE 4.05Å; W87-M124 HydrophobicContact CZ3-CE 3.67Å; F91-M124 HydrophobicContact CE2-CE 4.31Å; F91-M124 HydrophobicContact CE2-SD 4.36Å; F91-M124 HydrophobicContact CZ-CE 4.42Å; F91-M124 HydrophobicContact CZ-SD 4.12Å; V104-M124 HydrophobicContact CG1-SD 4.22Å; L106-M124 HydrophobicContact CD1-CE 3.95Å; L106-M124 HydrophobicContact CD1-CG 3.61Å; L106-M124 HydrophobicContact CD1-SD 4.07Å; L106-M124 HydrophobicContact CD2-CE 4.12Å; M120-M124 WeakPolarHBondContact O-CG 3.48Å; M120-M124 PolarHBondContact O-N 2.85Å; M120-M124 VanDerWaalsContact O-N 3.07Å; T121-M124 PolarHBondContact O-N 3.23Å; M124-F128 HydrophobicContact CE-CD2 3.93Å; M124-F128 HydrophobicContact CE-CE2 4.18Å; M124-F128 CarbonylContact O-C 3.59Å; M124-F128 HydrophobicContact SD-CD2 4.27Å; M124-N129 PolarHBondContact O-N 3.4Å; M124-T130 HydrophobicContact CB-CG2 4.24Å; M124-T130 PolarHBondContact O-N 3.2Å; M124-T130 PolarHBondContact O-OG1 2.93Å; M124-T130 HydrophobicContact SD-CG2 4.11Å; M124-M133 HydrophobicContact CB-SD 3.65Å; M124-M133 HydrophobicContact CG-CE 4.34Å; M124-M133 HydrophobicContact CG-SD 4.09Å
125F98.6Very high98.2Very high3 Ų330.1 Ų30.11%0.01316%0.161CC..Iπ-helixtrans-80.5-44.4179.5-73.6-61.5000114.4T121 Q122 I123 N129 T130 M133 I351 K353 Y356T121-F125 HydrophobicContact CG2-CD2 3.81Å; T121-F125 HydrophobicContact CG2-CE2 3.86Å; T121-F125 WeakPolarHBondContact O-CD2 3.46Å; T121-F125 PolarHBondContact O-N 3.18Å; Q122-F125 PolarHBondContact O-N 2.93Å; I123-F125 VanDerWaalsContact C-N 3.33Å; I123-F125 PolarHBondContact O-N 3.02Å; F125-N129 VanDerWaalsContact O-CA 3.28Å; F125-N129 WeakPolarHBondContact O-CA 3.4Å; F125-N129 PolarHBondContact O-N 3.19Å; F125-N129 PolarHBondContact O-OD1 2.67Å; F125-T130 WeakPolarHBondContact CD1-O 3.43Å; F125-T130 WeakPolarHBondContact CE1-O 3.33Å; F125-M133 HydrophobicContact CD2-CG 4.34Å; F125-M133 HydrophobicContact CD2-SD 4.04Å; F125-M133 HydrophobicContact CE2-CG 3.51Å; F125-M133 HydrophobicContact CE2-SD 3.71Å; F125-M133 HydrophobicContact CZ-CG 3.63Å; F125-M133 HydrophobicContact CZ-SD 4.38Å; F125-I351 HydrophobicContact CE2-CG2 3.87Å; F125-I351 HydrophobicContact CZ-CB 4.39Å; F125-I351 HydrophobicContact CZ-CG2 3.9Å; F125-I351 WeakPolarHBondContact CZ-O 3.34Å; F125-K353 HydrophobicContact CD1-CB 4.02Å; F125-K353 HydrophobicContact CD1-CG 4.12Å; F125-K353 VanDerWaalsContact CE1-CA 3.43Å; F125-K353 HydrophobicContact CE1-CB 3.9Å; F125-K353 HydrophobicContact CE1-CG 4.49Å; F125-Y356 HydrophobicContact CB-CD1 3.64Å; F125-Y356 HydrophobicContact CB-CD2 4.33Å; F125-Y356 HydrophobicContact CB-CE1 3.73Å; F125-Y356 HydrophobicContact CB-CE2 4.37Å; F125-Y356 HydrophobicContact CB-CG 3.96Å; F125-Y356 HydrophobicContact CD1-CG 4.45Å; F125-Y356 AromaticContact CD2-CD1 3.96Å; F125-Y356 HydrophobicContact CD2-CD1 3.96Å; F125-Y356 AromaticContact CD2-CD2 3.33Å; F125-Y356 HydrophobicContact CD2-CD2 3.33Å; F125-Y356 AromaticContact CD2-CE2 3.94Å; F125-Y356 HydrophobicContact CD2-CE2 3.94Å; F125-Y356 AromaticContact CD2-CG 3.32Å; F125-Y356 HydrophobicContact CD2-CG 3.32Å; F125-Y356 AromaticContact CE2-CD2 3.87Å; F125-Y356 HydrophobicContact CE2-CD2 3.87Å; F125-Y356 AromaticContact CE2-CG 3.84Å; F125-Y356 HydrophobicContact CE2-CG 3.84Å; F125-Y356 AromaticContact CG-CD1 3.83Å; F125-Y356 HydrophobicContact CG-CD1 3.83Å; F125-Y356 HydrophobicContact CG-CD2 4.07Å; F125-Y356 HydrophobicContact CG-CE1 4.37Å; F125-Y356 AromaticContact CG-CG 3.67Å; F125-Y356 HydrophobicContact CG-CG 3.67Å
126E98.4Very high98.1Very high103 Ų10327.4 Ų27.448%0.48114%0.138SC..Iπ-helixtrans-85.5-37.7-172.6-63.3-178.8-175.400112.7Q122 Y356Q122-E126 HydrophobicContact CG-CG 4.15Å; Q122-E126 VanDerWaalsContact CG-OE2 3.26Å; Q122-E126 WeakPolarHBondContact CG-OE2 3.5Å; Q122-E126 PolarHBondContact NE2-OE2 2.85Å; Q122-E126 VanDerWaalsContact O-CB 3.24Å; Q122-E126 WeakPolarHBondContact O-CB 3.22Å; Q122-E126 WeakPolarHBondContact O-CG 3.18Å; Q122-E126 PolarHBondContact O-N 3.17Å; E126-Y356 HydrophobicContact CG-CE1 4.09Å; E126-Y356 PolarHBondContact OE1-OH 2.97Å
127T98.3Very high98.1Very high71 Ų7127.2 Ų27.244%0.43614%0.137SC..Iπ-helixtrans-93-50.2-177-53.50000111.4I123I123-T127 WeakPolarHBondContact O-CA 3.4Å; I123-T127 VanDerWaalsContact O-CB 3.23Å; I123-T127 WeakPolarHBondContact O-CB 3.28Å; I123-T127 PolarHBondContact O-N 3.45Å
128F98.4Very high98.1Very high8 Ų826.6 Ų26.64%0.03514%0.136CC..SBendtrans-93.6-5.1-177.3-65.2-67.4000114.2W87 H88 F91 Y92 P99 I123 M124 T130W87-F128 HydrophobicContact CB-CE2 3.75Å; W87-F128 HydrophobicContact CB-CZ 3.73Å; W87-F128 HydrophobicContact CE3-CE2 4.05Å; H88-F128 HydrophobicContact CB-CE1 4.14Å; H88-F128 HydrophobicContact CB-CZ 4.25Å; F91-F128 AromaticContact CD2-CD1 3.76Å; F91-F128 HydrophobicContact CD2-CD1 3.76Å; F91-F128 AromaticContact CD2-CE1 3.86Å; F91-F128 HydrophobicContact CD2-CE1 3.86Å; F91-F128 HydrophobicContact CD2-CG 4.19Å; F91-F128 HydrophobicContact CD2-CZ 4.37Å; F91-F128 HydrophobicContact CE2-CB 4.37Å; F91-F128 AromaticContact CE2-CD1 3.9Å; F91-F128 HydrophobicContact CE2-CD1 3.9Å; F91-F128 HydrophobicContact CE2-CD2 4.06Å; F91-F128 HydrophobicContact CE2-CE1 4.18Å; F91-F128 HydrophobicContact CE2-CE2 4.33Å; F91-F128 AromaticContact CE2-CG 3.84Å; F91-F128 HydrophobicContact CE2-CG 3.84Å; F91-F128 HydrophobicContact CE2-CZ 4.39Å; Y92-F128 HydrophobicContact CE2-CE1 4.41Å; P99-F128 HydrophobicContact CB-CB 4.07Å; P99-F128 HydrophobicContact CG-CB 4.02Å; P99-F128 HydrophobicContact CG-CD1 3.99Å; P99-F128 HydrophobicContact CG-CG 4.44Å; I123-F128 HydrophobicContact CG2-CD2 3.7Å; I123-F128 HydrophobicContact CG2-CE2 3.55Å; I123-F128 PolarHBondContact O-N 3.16Å; I123-F128 VanDerWaalsContact O-N 3.09Å; M124-F128 HydrophobicContact CE-CD2 3.93Å; M124-F128 HydrophobicContact CE-CE2 4.18Å; M124-F128 CarbonylContact O-C 3.59Å; M124-F128 HydrophobicContact SD-CD2 4.27Å; F128-T130 HydrophobicContact CB-CG2 4.12Å; F128-T130 PolarHBondContact O-N 2.83Å; F128-T130 VanDerWaalsContact O-N 3.09Å
129N98.1Very high98.1Very high76 Ų7623.3 Ų23.341%0.40612%0.12SC..  trans5428.2177.1-71.4-71.5000115E100 M124 F125 K353E100-N129 WeakPolarHBondContact CA-O 3.33Å; E100-N129 HydrophobicContact CB-CB 4.02Å; M124-N129 PolarHBondContact O-N 3.4Å; F125-N129 VanDerWaalsContact O-CA 3.28Å; F125-N129 WeakPolarHBondContact O-CA 3.4Å; F125-N129 PolarHBondContact O-N 3.19Å; F125-N129 PolarHBondContact O-OD1 2.67Å; N129-K353 PolarHBondContact OD1-NZ 3.01Å
130T98.3Very high98Very high0 Ų022 Ų220%012%0.117CC..  trans-57.4136.3-178.560.60000110.6P99 V104 M124 F125 F128 A132P99-T130 HydrophobicContact CB-CG2 4.24Å; V104-T130 HydrophobicContact CB-CG2 4.3Å; V104-T130 HydrophobicContact CG2-CG2 3.55Å; M124-T130 HydrophobicContact CB-CG2 4.24Å; M124-T130 PolarHBondContact O-N 3.2Å; M124-T130 PolarHBondContact O-OG1 2.93Å; M124-T130 HydrophobicContact SD-CG2 4.11Å; F125-T130 WeakPolarHBondContact CD1-O 3.43Å; F125-T130 WeakPolarHBondContact CE1-O 3.33Å; F128-T130 HydrophobicContact CB-CG2 4.12Å; F128-T130 PolarHBondContact O-N 2.83Å; F128-T130 VanDerWaalsContact O-N 3.09Å; T130-A132 VanDerWaalsContact C-N 3.28Å; T130-A132 PolarHBondContact O-N 2.95Å
131P97.4Very high98Very high35 Ų3521.9 Ų21.923%0.22712%0.117CC..SBendtrans-68.4-29.9-177.726.9-34.9000112.4E100 H102 K353E100-P131 WeakPolarHBondContact O-CD 3.35Å; H102-P131 VanDerWaalsContact O-CD 3.28Å; H102-P131 WeakPolarHBondContact O-CD 3.26Å; P131-K353 PolarHBondContact O-N 3.16Å
132A97.7Very high98Very high4 Ų421.9 Ų21.93%0.03312%0.117CC..EExtended strand (participates in β ladder)trans-156.4156.9176.800000111.1P103 V104 T130 W350 I351P103-A132 CarbonylContact C-O 3.55Å; P103-A132 VanDerWaalsContact CA-O 3.26Å; P103-A132 WeakPolarHBondContact CA-O 3.24Å; P103-A132 HydrophobicContact CB-CB 4.21Å; V104-A132 PolarHBondContact N-O 3.32Å; T130-A132 VanDerWaalsContact C-N 3.28Å; T130-A132 PolarHBondContact O-N 2.95Å; A132-W350 HydrophobicContact CB-CB 4.09Å; A132-W350 HydrophobicContact CB-CG 4.45Å; A132-I351 CarbonylContact C-O 3.54Å; A132-I351 WeakPolarHBondContact CA-O 3.46Å; A132-I351 WeakPolarHBondContact CB-O 3.37Å
133M97.9Very high97.9Very high0 Ų019.2 Ų19.20%010%0.104CC..EExtended strand (participates in β ladder)trans-150.9163.9176.168.1164.2-6900113.7V104 L106 T121 M124 F125 V135 I351V104-M133 CarbonylContact O-C 3.57Å; V104-M133 WeakPolarHBondContact O-CA 3.4Å; V104-M133 VanDerWaalsContact O-CB 3.31Å; V104-M133 WeakPolarHBondContact O-CB 3.46Å; L106-M133 HydrophobicContact CD1-CE 4.08Å; T121-M133 VanDerWaalsContact CA-SD 3.5Å; T121-M133 HydrophobicContact CG2-SD 3.9Å; M124-M133 HydrophobicContact CB-SD 3.65Å; M124-M133 HydrophobicContact CG-CE 4.34Å; M124-M133 HydrophobicContact CG-SD 4.09Å; F125-M133 HydrophobicContact CD2-CG 4.34Å; F125-M133 HydrophobicContact CD2-SD 4.04Å; F125-M133 HydrophobicContact CE2-CG 3.51Å; F125-M133 HydrophobicContact CE2-SD 3.71Å; F125-M133 HydrophobicContact CZ-CG 3.63Å; F125-M133 HydrophobicContact CZ-SD 4.38Å; M133-V135 HydrophobicContact CE-CG2 3.6Å; M133-I351 HydrophobicContact CG-CB 4.48Å; M133-I351 PolarHBondContact N-O 2.72Å; M133-I351 WeakPolarHBondContact O-CB 3.4Å; M133-I351 PolarHBondContact O-N 3.22Å
134Y98.1Very high97.7Very high21 Ų2122.9 Ų22.98%0.08212%0.119CC..EExtended strand (participates in β ladder)trans-147147.9173.2-168.2-92000110.1V104 L105 L106 A136 F346 M349 K367 C368V104-Y134 PolarHBondContact O-N 3.33Å; L105-Y134 WeakPolarHBondContact CA-O 3.31Å; L105-Y134 HydrophobicContact CD1-CD1 4.42Å; L106-Y134 PolarHBondContact N-O 2.76Å; Y134-A136 HydrophobicContact CD1-CB 4.05Å; Y134-A136 HydrophobicContact CE1-CB 3.91Å; Y134-F346 HydrophobicContact CD1-CE2 4.31Å; Y134-F346 AromaticContact CD1-CZ 3.63Å; Y134-F346 HydrophobicContact CD1-CZ 3.63Å; Y134-F346 HydrophobicContact CD2-CE2 4.41Å; Y134-F346 AromaticContact CD2-CZ 3.89Å; Y134-F346 HydrophobicContact CD2-CZ 3.89Å; Y134-F346 HydrophobicContact CE1-CE2 4.21Å; Y134-F346 AromaticContact CE1-CZ 3.99Å; Y134-F346 HydrophobicContact CE1-CZ 3.99Å; Y134-F346 HydrophobicContact CE2-CE2 4.32Å; Y134-F346 HydrophobicContact CE2-CZ 4.24Å; Y134-F346 HydrophobicContact CG-CE1 4.39Å; Y134-F346 HydrophobicContact CG-CE2 4.41Å; Y134-F346 AromaticContact CG-CZ 3.58Å; Y134-F346 HydrophobicContact CG-CZ 3.58Å; Y134-M349 HydrophobicContact CD2-CB 4.39Å; Y134-M349 WeakPolarHBondContact CD2-O 3.36Å; Y134-M349 HydrophobicContact CE2-CB 4.12Å; Y134-M349 HydrophobicContact CE2-CE 4.39Å; Y134-K367 WeakPolarHBondContact CE2-O 3.36Å; Y134-C368 WeakPolarHBondContact CD2-SG 3.08Å; Y134-C368 HydrophobicContact CE1-CB 4.49Å; Y134-C368 HydrophobicContact CE2-CB 4.13Å; Y134-C368 WeakPolarHBondContact CE2-SG 3.34Å
135V98Very high97.6Very high3 Ų324 Ų242%0.01813%0.128CC..EExtended strand (participates in β ladder)trans-114.8124.7174.3-179.60000108.7L106 E108 M120 M133 V364 C368L106-V135 CarbonylContact O-C 3.57Å; L106-V135 WeakPolarHBondContact O-CA 3.31Å; E108-V135 HydrophobicContact CB-CG1 3.98Å; E108-V135 HydrophobicContact CG-CG1 3.63Å; E108-V135 WeakPolarHBondContact OE2-CG1 3.36Å; M120-V135 HydrophobicContact CE-CG1 3.61Å; M120-V135 HydrophobicContact CE-CG2 4.04Å; M133-V135 HydrophobicContact CE-CG2 3.6Å; V135-V364 HydrophobicContact CB-CG2 4.33Å; V135-V364 HydrophobicContact CG2-CG2 4.01Å; V135-C368 HydrophobicContact CB-CB 4.47Å; V135-C368 PolarHBondContact N-SG 3.03Å; V135-C368 VanDerWaalsContact N-SG 3.38Å; V135-C368 VanDerWaalsContact O-CB 3.31Å; V135-C368 WeakPolarHBondContact O-CB 3.29Å
136A97.3Very high97.5Very high8 Ų825 Ų257%0.06614%0.135CC..EExtended strand (participates in β ladder)trans-124.4143.3-17800000112.4L105 L106 T107 E108 Y134 Q138 L141L105-A136 HydrophobicContact CD2-CB 4.23Å; L106-A136 PolarHBondContact O-N 3.15Å; T107-A136 CarbonylContact C-O 3.57Å; T107-A136 VanDerWaalsContact CA-O 3.28Å; T107-A136 WeakPolarHBondContact CA-O 3.36Å; E108-A136 PolarHBondContact N-O 3.1Å; Y134-A136 HydrophobicContact CD1-CB 4.05Å; Y134-A136 HydrophobicContact CE1-CB 3.91Å; A136-Q138 PolarHBondContact O-N 3.06Å; A136-L141 HydrophobicContact CB-CD1 3.84Å; A136-L141 HydrophobicContact CB-CD2 3.87Å; A136-L141 HydrophobicContact CB-CG 3.92Å
137I97Very high97.3Very high17 Ų1723.4 Ų23.49%0.08715%0.147CC..EExtended strand (participates in β ladder)trans-70.4126.3177.9-60.7172.2000109.7E108 P110 A139 V140 L141 A171E108-I137 WeakPolarHBondContact O-CA 3.34Å; P110-I137 HydrophobicContact CB-CG2 4.07Å; I137-A139 VanDerWaalsContact C-N 3.29Å; I137-A139 HydrophobicContact CG2-CB 4.38Å; I137-A139 PolarHBondContact O-N 3.09Å; I137-V140 HydrophobicContact CB-CB 4.31Å; I137-V140 HydrophobicContact CB-CG2 3.9Å; I137-V140 HydrophobicContact CG2-CG2 4.14Å; I137-V140 PolarHBondContact O-N 3.17Å; I137-L141 PolarHBondContact O-N 2.8Å; I137-A171 HydrophobicContact CD1-CB 4.25Å
138Q97.8Very high97.2Very high15 Ų1523 Ų237%0.0714%0.137CC..Hα-helixtrans-51.7-44.8-176.7-72.4174.3-40.200113.3D12 N13 T107 E108 A136 L141 S142 V333D12-Q138 PolarHBondContact OD1-NE2 2.81Å; N13-Q138 PolarHBondContact O-NE2 2.93Å; T107-Q138 PolarHBondContact OG1-NE2 3.17Å; E108-Q138 VanDerWaalsContact O-CG 3.32Å; E108-Q138 WeakPolarHBondContact O-CG 3.38Å; E108-Q138 PolarHBondContact O-N 3.08Å; A136-Q138 PolarHBondContact O-N 3.06Å; Q138-L141 PolarHBondContact O-N 3.13Å; Q138-S142 PolarHBondContact O-N 3.04Å; Q138-S142 PolarHBondContact O-OG 3.1Å; Q138-V333 HydrophobicContact CB-CG1 3.9Å; Q138-V333 HydrophobicContact CB-CG2 3.94Å; Q138-V333 HydrophobicContact CG-CG1 3.78Å; Q138-V333 HydrophobicContact CG-CG2 4.46Å
139A97.5Very high97Very high0 Ų026.3 Ų26.30%016%0.158CC..Hα-helixtrans-66.4-37.2179.600000113I137 S142 L143 V153 V164I137-A139 VanDerWaalsContact C-N 3.29Å; I137-A139 HydrophobicContact CG2-CB 4.38Å; I137-A139 PolarHBondContact O-N 3.09Å; A139-S142 PolarHBondContact O-N 3.44Å; A139-L143 PolarHBondContact O-N 3.37Å; A139-V153 HydrophobicContact CB-CB 4.09Å; A139-V153 HydrophobicContact CB-CG1 4.08Å; A139-V153 WeakPolarHBondContact O-CG2 3.24Å; A139-V164 HydrophobicContact CB-CB 3.56Å; A139-V164 HydrophobicContact CB-CG1 3.97Å; A139-V164 HydrophobicContact CB-CG2 3.47Å; A139-V164 VanDerWaalsContact CB-CG2 3.47Å
140V97.4Very high97Very high35 Ų3523.7 Ų23.721%0.21215%0.145CC..Hα-helixtrans-64.4-45.2177.7178.40000110.3I137 S142 L143 Y144 I166 A171I137-V140 HydrophobicContact CB-CB 4.31Å; I137-V140 HydrophobicContact CB-CG2 3.9Å; I137-V140 HydrophobicContact CG2-CG2 4.14Å; I137-V140 PolarHBondContact O-N 3.17Å; V140-S142 VanDerWaalsContact C-N 3.31Å; V140-S142 PolarHBondContact O-N 2.93Å; V140-L143 PolarHBondContact O-N 2.93Å; V140-Y144 WeakPolarHBondContact O-CB 3.41Å; V140-Y144 PolarHBondContact O-N 3.45Å; V140-I166 HydrophobicContact CB-CD1 4.46Å; V140-I166 HydrophobicContact CG2-CD1 4.08Å; V140-I166 HydrophobicContact CG2-CG1 4.18Å; V140-A171 HydrophobicContact CG2-CB 3.97Å
141L97.8Very high97Very high2 Ų223.7 Ų23.71%0.0115%0.145CC..Hα-helixtrans-60.7-41.3174.4-61.8-179.1000111.7L105 T107 A136 I137 Q138 L143 Y144 A145 V333 G336 L340L105-L141 HydrophobicContact CD2-CD1 4.1Å; T107-L141 HydrophobicContact CG2-CD1 3.63Å; A136-L141 HydrophobicContact CB-CD1 3.84Å; A136-L141 HydrophobicContact CB-CD2 3.87Å; A136-L141 HydrophobicContact CB-CG 3.92Å; I137-L141 PolarHBondContact O-N 2.8Å; Q138-L141 PolarHBondContact O-N 3.13Å; L141-L143 VanDerWaalsContact C-N 3.35Å; L141-L143 PolarHBondContact O-N 2.81Å; L141-Y144 WeakPolarHBondContact O-CB 3.46Å; L141-Y144 PolarHBondContact O-N 2.95Å; L141-Y144 VanDerWaalsContact O-N 3.12Å; L141-A145 PolarHBondContact O-N 2.9Å; L141-V333 WeakPolarHBondContact CB-O 3.42Å; L141-V333 HydrophobicContact CD1-CG1 4.33Å; L141-G336 VanDerWaalsContact O-CA 3.28Å; L141-G336 WeakPolarHBondContact O-CA 3.42Å; L141-L340 HydrophobicContact CD2-CB 4.33Å; L141-L340 HydrophobicContact CD2-CD2 3.6Å
142S97.9Very high97.1Very high0 Ų022 Ų220%013%0.134CC..Hα-helixtrans-64.5-38.3179.4-58.50000113.1Q138 A139 V140 Y144 S146 S294 V333Q138-S142 PolarHBondContact O-N 3.04Å; Q138-S142 PolarHBondContact O-OG 3.1Å; A139-S142 PolarHBondContact O-N 3.44Å; V140-S142 VanDerWaalsContact C-N 3.31Å; V140-S142 PolarHBondContact O-N 2.93Å; S142-Y144 VanDerWaalsContact C-N 3.33Å; S142-S146 PolarHBondContact O-N 2.83Å; S142-S294 WeakPolarHBondContact CB-OG 3.43Å; S142-S294 PolarHBondContact OG-OG 3.38Å; S142-V333 WeakPolarHBondContact OG-CA 3.49Å; S142-V333 WeakPolarHBondContact OG-CG2 3.33Å; S142-V333 PolarHBondContact OG-N 3.46Å
143L97.6Very high97.1Very high2 Ų221.9 Ų21.91%0.0113%0.133CC..Hα-helixtrans-63.1-44.4171.9-172.171.9000110.6A139 V140 L141 A145 S146 R148 V153 I166 V292A139-L143 PolarHBondContact O-N 3.37Å; V140-L143 PolarHBondContact O-N 2.93Å; L141-L143 VanDerWaalsContact C-N 3.35Å; L141-L143 PolarHBondContact O-N 2.81Å; L143-A145 VanDerWaalsContact C-N 3.35Å; L143-A145 PolarHBondContact O-N 3.34Å; L143-S146 WeakPolarHBondContact O-CA 3.32Å; L143-S146 WeakPolarHBondContact O-CB 3.21Å; L143-S146 PolarHBondContact O-N 2.72Å; L143-S146 PolarHBondContact O-OG 3.46Å; L143-R148 CarbonylContact C-O 3.56Å; L143-R148 HydrophobicContact CD1-CB 3.83Å; L143-R148 HydrophobicContact CG-CB 3.89Å; L143-R148 WeakPolarHBondContact CG-O 3.27Å; L143-R148 PolarHBondContact O-N 3.32Å; L143-V153 HydrophobicContact CB-CG2 3.73Å; L143-V153 HydrophobicContact CD1-CG2 4.05Å; L143-V153 HydrophobicContact CG-CG2 4.45Å; L143-I166 HydrophobicContact CB-CD1 3.84Å; L143-I166 HydrophobicContact CD2-CB 3.68Å; L143-I166 HydrophobicContact CD2-CD1 3.79Å; L143-I166 HydrophobicContact CD2-CG1 4.35Å; L143-I166 HydrophobicContact CD2-CG2 3.59Å; L143-I166 HydrophobicContact CG-CD1 4.39Å; L143-V292 HydrophobicContact CD1-CB 4.44Å; L143-V292 HydrophobicContact CD1-CG2 3.77Å
144Y94.5Very high97.2Very high78 Ų7822 Ų2231%0.30613%0.133SC..Hα-helixtrans-61.5-41.3-179.4-163.6-117.7000112.3V140 L141 S142 S146 G147 I339 L340 L343V140-Y144 WeakPolarHBondContact O-CB 3.41Å; V140-Y144 PolarHBondContact O-N 3.45Å; L141-Y144 WeakPolarHBondContact O-CB 3.46Å; L141-Y144 PolarHBondContact O-N 2.95Å; L141-Y144 VanDerWaalsContact O-N 3.12Å; S142-Y144 VanDerWaalsContact C-N 3.33Å; Y144-S146 PolarHBondContact O-N 2.84Å; Y144-S146 VanDerWaalsContact O-N 3.15Å; Y144-G147 WeakPolarHBondContact O-CA 3.38Å; Y144-G147 PolarHBondContact O-N 3.26Å; Y144-I339 HydrophobicContact CD1-CB 4.31Å; Y144-I339 HydrophobicContact CD1-CG2 4.19Å; Y144-I339 HydrophobicContact CE1-CB 4.06Å; Y144-I339 HydrophobicContact CE1-CG2 3.51Å; Y144-L340 HydrophobicContact CD1-CB 4.34Å; Y144-L340 HydrophobicContact CE1-CB 4.31Å; Y144-L343 HydrophobicContact CE1-CD1 4.26Å; Y144-L343 VanDerWaalsContact OH-CD1 3.24Å; Y144-L343 WeakPolarHBondContact OH-CD1 3.5Å
145A96.3Very high97.2Very high24 Ų2421.4 Ų21.420%0.19813%0.132CC..Hα-helixtrans-57.6-27.8173.300000113.2L141 L143 G147 S332 I335L141-A145 PolarHBondContact O-N 2.9Å; L143-A145 VanDerWaalsContact C-N 3.35Å; L143-A145 PolarHBondContact O-N 3.34Å; A145-G147 VanDerWaalsContact C-N 3.25Å; A145-G147 PolarHBondContact O-N 2.69Å; A145-S332 VanDerWaalsContact CB-O 3.27Å; A145-S332 WeakPolarHBondContact CB-O 3.47Å; A145-I335 HydrophobicContact CB-CB 4.17Å; A145-I335 HydrophobicContact CB-CG2 3.95Å
146S95.1Very high97.2Very high23 Ų2321.4 Ų21.416%0.16113%0.132CC..THydrogen-bonded Turntrans-82.61.7175.684.70000113.9S142 L143 Y144 R148S142-S146 PolarHBondContact O-N 2.83Å; L143-S146 WeakPolarHBondContact O-CA 3.32Å; L143-S146 WeakPolarHBondContact O-CB 3.21Å; L143-S146 PolarHBondContact O-N 2.72Å; L143-S146 PolarHBondContact O-OG 3.46Å; Y144-S146 PolarHBondContact O-N 2.84Å; Y144-S146 VanDerWaalsContact O-N 3.15Å; S146-R148 PolarHBondContact O-NH1 2.9Å; S146-R148 PolarHBondContact OG-NH1 2.78Å
147G94.4Very high97.2Very high70 Ų7022 Ų2272%0.72214%0.139SC*.THydrogen-bonded Turntrans73.631.4-176.600000113.5Y144 A145Y144-G147 WeakPolarHBondContact O-CA 3.38Å; Y144-G147 PolarHBondContact O-N 3.26Å; A145-G147 VanDerWaalsContact C-N 3.25Å; A145-G147 PolarHBondContact O-N 2.69Å
148R95.8Very high97.2Very high61 Ų6122.8 Ų22.823%0.2314%0.144CC..  trans-127.5148.9-176.7-69174.8177.268.413.6111.5L143 S146 N290 I324L143-R148 CarbonylContact C-O 3.56Å; L143-R148 HydrophobicContact CD1-CB 3.83Å; L143-R148 HydrophobicContact CG-CB 3.89Å; L143-R148 WeakPolarHBondContact CG-O 3.27Å; L143-R148 PolarHBondContact O-N 3.32Å; S146-R148 PolarHBondContact O-NH1 2.9Å; S146-R148 PolarHBondContact OG-NH1 2.78Å; R148-N290 WeakPolarHBondContact CD-OD1 3.4Å; R148-N290 PolarHBondContact NE-OD1 2.92Å; R148-I324 VanDerWaalsContact CZ-CD1 3.43Å; R148-I324 VanDerWaalsContact NE-CD1 3.25Å
149T95.2Very high97.2Very high78 Ų7822.1 Ų22.148%0.47914%0.141SC..SBendtrans-114-17.5173.253.50000112.5E168 G169T149-E168 PolarHBondContact O-N 2.9Å; T149-E168 VanDerWaalsContact O-N 3.12Å; T149-G169 PolarHBondContact O-N 3.46Å
150T98Very high97.2Very high22 Ų2222.5 Ų22.514%0.13514%0.143CC..SBendtrans-126.9132.5176.2-620000110I166 Y167 E168 D286 N290T150-I166 WeakPolarHBondContact CA-O 3.37Å; T150-Y167 HydrophobicContact CG2-CD2 3.64Å; T150-Y167 HydrophobicContact CG2-CE2 4.21Å; T150-E168 PolarHBondContact OG1-N 2.72Å; T150-D286 HydrophobicContact CG2-CB 3.84Å; T150-N290 WeakPolarHBondContact O-CB 3.2Å
151G98.5Very high97.3Very high0 Ų021 Ų210%013%0.134CC..EExtended strand (participates in β ladder)trans161.9-178.9-179.100000111.7I166 L287 N290G151-I166 PolarHBondContact N-O 2.73Å; G151-I166 PolarHBondContact O-N 3.19Å; G151-L287 VanDerWaalsContact C-CD2 3.45Å; G151-L287 VanDerWaalsContact O-CD2 3.29Å; G151-L287 WeakPolarHBondContact O-CD2 3.35Å; G151-N290 VanDerWaalsContact CA-O 3.29Å; G151-N290 WeakPolarHBondContact CA-O 3.13Å
152I98.8Very high97.3Very high0 Ų020.9 Ų20.90%013%0.133CC..EExtended strand (participates in β ladder)trans-117.6134.8171.2-174.3166.8000109.2P165 T272 S275 I276 L287 N290 T291 V292I152-P165 HydrophobicContact CD1-CB 4.35Å; I152-P165 HydrophobicContact CG1-CB 4.35Å; I152-T272 HydrophobicContact CD1-CG2 3.91Å; I152-T272 HydrophobicContact CG1-CG2 4.44Å; I152-T272 HydrophobicContact CG2-CG2 4.26Å; I152-S275 WeakPolarHBondContact CD1-OG 3.33Å; I152-I276 HydrophobicContact CD1-CD1 4.36Å; I152-I276 HydrophobicContact CD1-CG1 3.64Å; I152-I276 HydrophobicContact CG2-CD1 4.06Å; I152-I276 HydrophobicContact CG2-CG1 4.25Å; I152-L287 HydrophobicContact CG2-CB 4.47Å; I152-N290 PolarHBondContact N-O 2.93Å; I152-T291 HydrophobicContact CG2-CG2 4.1Å; I152-T291 WeakPolarHBondContact CG2-OG1 3.45Å; I152-T291 CarbonylContact O-C 3.55Å; I152-T291 WeakPolarHBondContact O-CA 3.34Å; I152-V292 PolarHBondContact O-N 2.63Å
153V98.8Very high97.3Very high0 Ų021 Ų210%013%0.134CC..EExtended strand (participates in β ladder)trans-105.3124.2177.3178.50000109.1A139 L143 D155 T163 V164 I166 V292A139-V153 HydrophobicContact CB-CB 4.09Å; A139-V153 HydrophobicContact CB-CG1 4.08Å; A139-V153 WeakPolarHBondContact O-CG2 3.24Å; L143-V153 HydrophobicContact CB-CG2 3.73Å; L143-V153 HydrophobicContact CD1-CG2 4.05Å; L143-V153 HydrophobicContact CG-CG2 4.45Å; V153-D155 HydrophobicContact CG1-CB 4.07Å; V153-T163 CarbonylContact O-C 3.25Å; V153-T163 VanDerWaalsContact O-CA 3.29Å; V153-T163 WeakPolarHBondContact O-CA 3.42Å; V153-V164 PolarHBondContact N-O 2.86Å; V153-V164 PolarHBondContact O-N 3.48Å; V153-I166 HydrophobicContact CG2-CD1 3.92Å; V153-V292 CarbonylContact C-O 3.59Å; V153-V292 WeakPolarHBondContact CA-O 3.25Å; V153-V292 HydrophobicContact CG2-CB 4.26Å
154L98.8Very high97.4Very high2 Ų220.9 Ų20.91%0.0113%0.133CC..EExtended strand (participates in β ladder)trans-91.899.6159.3170.960.4000107.1H162 T163 V268 V292 L293 S294 M307L154-H162 WeakPolarHBondContact CA-O 3.48Å; L154-T163 HydrophobicContact CD1-CG2 3.88Å; L154-V268 HydrophobicContact CD1-CB 4.04Å; L154-V268 HydrophobicContact CD1-CG1 4.22Å; L154-V268 HydrophobicContact CD2-CB 3.94Å; L154-V268 HydrophobicContact CD2-CG2 4.13Å; L154-V292 PolarHBondContact N-O 2.95Å; L154-L293 HydrophobicContact CB-CD2 4Å; L154-L293 HydrophobicContact CD2-CD2 3.93Å; L154-L293 HydrophobicContact CG-CD2 4.33Å; L154-S294 PolarHBondContact O-N 3.31Å; L154-M307 HydrophobicContact CD2-CE 3.58Å; L154-M307 HydrophobicContact CD2-SD 3.99Å
155D98.3Very high97.6Very high10 Ų1017.2 Ų17.25%0.05312%0.119CC..EExtended strand (participates in β ladder)trans-97.3118.3174-171.648.8000108.9V153 S161 H162 S294 G295V153-D155 HydrophobicContact CG1-CB 4.07Å; D155-S161 CarbonylContact O-C 3.52Å; D155-S161 VanDerWaalsContact O-CA 3.26Å; D155-S161 WeakPolarHBondContact O-CA 3.47Å; D155-H162 PolarHBondContact N-O 2.87Å; D155-H162 PolarHBondContact O-N 2.86Å; D155-S294 WeakPolarHBondContact CA-O 3.31Å; D155-S294 VanDerWaalsContact OD1-C 3.28Å; D155-S294 WeakPolarHBondContact OD1-CB 3.44Å; D155-S294 PolarHBondContact OD1-OG 2.79Å; D155-G295 PolarHBondContact OD1-N 3.49Å
156S98.5Very high97.7Very high2 Ų216 Ų161%0.01411%0.109CC..EExtended strand (participates in β ladder)trans-129102.9-179.8-170.30000110.1S161 S294 G295 G296 S297S156-S161 WeakPolarHBondContact CB-OG 3.16Å; S156-S161 PolarHBondContact OG-OG 2.85Å; S156-S294 PolarHBondContact N-O 2.84Å; S156-G295 CarbonylContact O-C 3.52Å; S156-G295 WeakPolarHBondContact O-CA 3.38Å; S156-G296 PolarHBondContact O-N 2.77Å; S156-S297 WeakPolarHBondContact O-CB 3.31Å; S156-S297 PolarHBondContact O-N 3.21Å; S156-S297 VanDerWaalsContact OG-CB 3.27Å; S156-S297 WeakPolarHBondContact OG-CB 3.43Å
157G97.8Very high97.8Very high22 Ų2219 Ų1923%0.22712%0.117CC..  trans-91.4-148.9-174.900000113.7V160 A182 G183 S297G157-V160 PolarHBondContact N-O 2.76Å; G157-A182 WeakPolarHBondContact O-CB 3.44Å; G157-G183 PolarHBondContact O-N 3.15Å; G157-G183 VanDerWaalsContact O-N 3.13Å; G157-S297 PolarHBondContact O-OG 3.23Å
158D97.5Very high97.8Very high33 Ų3321.6 Ų21.618%0.17611%0.111CC..SBendtrans-83.4-40.5170.1-177.861.3000111.7G16 A182 G183 R184G16-D158 WeakPolarHBondContact CA-OD2 3.43Å; D158-A182 CarbonylContact O-C 3.51Å; D158-A182 WeakPolarHBondContact O-CB 3.44Å; D158-G183 PolarHBondContact O-N 3.03Å; D158-G183 VanDerWaalsContact O-N 3.1Å; D158-R184 WeakPolarHBondContact O-CB 3.48Å; D158-R184 PolarHBondContact O-N 3.14Å; D158-R184 PolarHBondContact OD1-N 3.08Å; D158-R184 IonicContact OD2-CZ 3.2Å; D158-R184 IonicContact OD2-NE 3.17Å; D158-R184 PolarHBondContact OD2-NE 2.84Å; D158-R184 IonicContact OD2-NH2 3.5Å; D158-R184 PolarHBondContact OD2-NH2 2.83Å
159G96.7Very high97.7Very high1 Ų120.3 Ų20.31%0.0112%0.117CC..SBendtrans-101.3-21.2-172.300000115.7H74H74-G159 WeakPolarHBondContact CA-O 3.29Å; H74-G159 PolarHBondContact CD2-O 3.28Å
160V97.9Very high97.7Very high8 Ų824.4 Ų24.45%0.04812%0.124CC..  trans-159.3153.8-171.259.90000111H74 G157 H162 R178H74-V160 HydrophobicContact CB-CB 4.18Å; G157-V160 PolarHBondContact N-O 2.76Å; V160-H162 WeakPolarHBondContact CG1-CE1 3.35Å; V160-H162 WeakPolarHBondContact CG2-CE1 3.46Å; V160-R178 HydrophobicContact CG2-CG 3.93Å
161S98.5Very high97.6Very high2 Ų224.1 Ų24.11%0.01413%0.125CC..EExtended strand (participates in β ladder)trans-116.2138.5169.2-58.80000110.8D155 S156 L179 L181D155-S161 CarbonylContact O-C 3.52Å; D155-S161 VanDerWaalsContact O-CA 3.26Å; D155-S161 WeakPolarHBondContact O-CA 3.47Å; S156-S161 WeakPolarHBondContact CB-OG 3.16Å; S156-S161 PolarHBondContact OG-OG 2.85Å; S161-L179 PolarHBondContact N-O 3.08Å; S161-L179 PolarHBondContact O-N 3.28Å; S161-L181 WeakPolarHBondContact CB-O 3.44Å; S161-L181 PolarHBondContact OG-O 3.39Å
162H98.1Very high97.6Very high1 Ų125.7 Ų25.71%0.00513%0.133CC..EExtended strand (participates in β ladder)trans-131.7144.7177.1-59.2103.4000111.2P110 L154 D155 V160 V164 L177P110-H162 HydrophobicContact CG-CB 3.77Å; P110-H162 VanDerWaalsContact CG-CD2 3.41Å; P110-H162 WeakPolarHBondContact CG-CD2 3.17Å; P110-H162 VanDerWaalsContact CG-CG 3.43Å; L154-H162 WeakPolarHBondContact CA-O 3.48Å; D155-H162 PolarHBondContact N-O 2.87Å; D155-H162 PolarHBondContact O-N 2.86Å; V160-H162 WeakPolarHBondContact CG1-CE1 3.35Å; V160-H162 WeakPolarHBondContact CG2-CE1 3.46Å; H162-V164 HydrophobicContact CB-CG2 4.03Å; H162-L177 WeakPolarHBondContact CA-O 3.37Å
163T98.7Very high97.5Very high2 Ų229.9 Ų29.91%0.01216%0.16CC..EExtended strand (participates in β ladder)trans-114114166.563.10000108.3V153 L154 I176 L177 T271 T272 S275V153-T163 CarbonylContact O-C 3.25Å; V153-T163 VanDerWaalsContact O-CA 3.29Å; V153-T163 WeakPolarHBondContact O-CA 3.42Å; L154-T163 HydrophobicContact CD1-CG2 3.88Å; T163-I176 WeakPolarHBondContact O-CA 3.45Å; T163-L177 PolarHBondContact N-O 3.44Å; T163-L177 PolarHBondContact O-N 3.28Å; T163-L177 VanDerWaalsContact O-N 3.1Å; T163-L177 WeakPolarHBondContact OG1-CB 3.32Å; T163-T271 HydrophobicContact CG2-CG2 3.85Å; T163-T272 VanDerWaalsContact CG2-OG1 3.32Å; T163-T272 WeakPolarHBondContact CG2-OG1 3.47Å; T163-S275 VanDerWaalsContact OG1-CB 3.29Å; T163-S275 WeakPolarHBondContact OG1-CB 3.3Å
164V98.6Very high97.4Very high0 Ų035.2 Ų35.20%019%0.185CC..EExtended strand (participates in β ladder)trans-121105-172.2-173.20000109P110 A139 V153 H162 I166 A171 I176P110-V164 HydrophobicContact CB-CG2 4.04Å; P110-V164 HydrophobicContact CG-CG2 3.76Å; A139-V164 HydrophobicContact CB-CB 3.56Å; A139-V164 HydrophobicContact CB-CG1 3.97Å; A139-V164 HydrophobicContact CB-CG2 3.47Å; A139-V164 VanDerWaalsContact CB-CG2 3.47Å; V153-V164 PolarHBondContact N-O 2.86Å; V153-V164 PolarHBondContact O-N 3.48Å; H162-V164 HydrophobicContact CB-CG2 4.03Å; V164-I166 HydrophobicContact CG1-CD1 4.31Å; V164-I166 HydrophobicContact CG1-CG1 3.97Å; V164-A171 HydrophobicContact CG1-CB 3.86Å; V164-I176 HydrophobicContact CG1-CD1 4.08Å; V164-I176 HydrophobicContact CG1-CG1 4.08Å; V164-I176 HydrophobicContact CG2-CG2 4.27Å
165P98.7Very high97.3Very high0 Ų035.1 Ų35.10%018%0.184CC..EExtended strand (participates in β ladder)trans-77.9133.817227.7-23.2000109.1I152 L172 A175 S275 C279 L287I152-P165 HydrophobicContact CD1-CB 4.35Å; I152-P165 HydrophobicContact CG1-CB 4.35Å; P165-L172 HydrophobicContact CB-CD1 4.3Å; P165-L172 HydrophobicContact CG-CB 4.2Å; P165-L172 PolarHBondContact O-N 3.29Å; P165-A175 HydrophobicContact CG-CB 3.52Å; P165-S275 VanDerWaalsContact CD-OG 3.31Å; P165-S275 WeakPolarHBondContact CD-OG 3.47Å; P165-S275 WeakPolarHBondContact CG-OG 3.34Å; P165-C279 VanDerWaalsContact CB-SG 3.56Å; P165-L287 HydrophobicContact CB-CD1 4.08Å; P165-L287 HydrophobicContact CB-CD2 4.25Å
166I98.5Very high97.3Very high0 Ų035.3 Ų35.30%019%0.185CC..EExtended strand (participates in β ladder)trans-131.4132.7-173.6-60.3154.6000107.5V140 L143 T150 G151 V153 V164 Y170 A171V140-I166 HydrophobicContact CB-CD1 4.46Å; V140-I166 HydrophobicContact CG2-CD1 4.08Å; V140-I166 HydrophobicContact CG2-CG1 4.18Å; L143-I166 HydrophobicContact CB-CD1 3.84Å; L143-I166 HydrophobicContact CD2-CB 3.68Å; L143-I166 HydrophobicContact CD2-CD1 3.79Å; L143-I166 HydrophobicContact CD2-CG1 4.35Å; L143-I166 HydrophobicContact CD2-CG2 3.59Å; L143-I166 HydrophobicContact CG-CD1 4.39Å; T150-I166 WeakPolarHBondContact CA-O 3.37Å; G151-I166 PolarHBondContact N-O 2.73Å; G151-I166 PolarHBondContact O-N 3.19Å; V153-I166 HydrophobicContact CG2-CD1 3.92Å; V164-I166 HydrophobicContact CG1-CD1 4.31Å; V164-I166 HydrophobicContact CG1-CG1 3.97Å; I166-Y170 CarbonylContact C-O 3.16Å; I166-Y170 VanDerWaalsContact CA-O 3.29Å; I166-Y170 WeakPolarHBondContact CA-O 3.33Å; I166-A171 HydrophobicContact CG1-CB 4.39Å
167Y97.7Very high97.3Very high84 Ų8436.8 Ų36.833%0.32919%0.192SC..EExtended strand (participates in β ladder)trans-130123.6178.8-174.6-101000109.3T150 G169 Y170 I283T150-Y167 HydrophobicContact CG2-CD2 3.64Å; T150-Y167 HydrophobicContact CG2-CE2 4.21Å; Y167-G169 PolarHBondContact O-N 2.95Å; Y167-G169 VanDerWaalsContact O-N 3.1Å; Y167-Y170 PolarHBondContact N-O 3.1Å; Y167-Y170 PolarHBondContact O-N 3.45Å; Y167-I283 HydrophobicContact CD2-CB 4.08Å; Y167-I283 HydrophobicContact CD2-CD1 4.37Å; Y167-I283 HydrophobicContact CD2-CG2 3.65Å; Y167-I283 HydrophobicContact CE2-CB 4.19Å; Y167-I283 HydrophobicContact CE2-CG2 3.42Å; Y167-I283 VanDerWaalsContact CE2-CG2 3.42Å; Y167-I283 HydrophobicContact CG-CG2 4.4Å
168E95.3Very high97.3Very high126 Ų12639.6 Ų39.659%0.58920%0.196SC*.THydrogen-bonded Turntrans50.436-179-61.3-17115400114T149 T150 Y170T149-E168 PolarHBondContact O-N 2.9Å; T149-E168 VanDerWaalsContact O-N 3.12Å; T150-E168 PolarHBondContact OG1-N 2.72Å; E168-Y170 WeakPolarHBondContact O-CD2 3.41Å
169G93.4Very high97.3Very high34 Ų3438.5 Ų38.535%0.35119%0.19SC..THydrogen-bonded Turntrans89.7-7.7-179.900000115.1T149 Y167T149-G169 PolarHBondContact O-N 3.46Å; Y167-G169 PolarHBondContact O-N 2.95Å; Y167-G169 VanDerWaalsContact O-N 3.1Å
170Y94.4Very high97.2Very high163 Ų16341.4 Ų41.464%0.63921%0.206SC*.EExtended strand (participates in β ladder)trans-100.8124.6179.8-60.7-85.3000111.3I166 Y167 E168I166-Y170 CarbonylContact C-O 3.16Å; I166-Y170 VanDerWaalsContact CA-O 3.29Å; I166-Y170 WeakPolarHBondContact CA-O 3.33Å; Y167-Y170 PolarHBondContact N-O 3.1Å; Y167-Y170 PolarHBondContact O-N 3.45Å; E168-Y170 WeakPolarHBondContact O-CD2 3.41Å
171A97Very high97.2Very high17 Ų1741 Ų4114%0.1420%0.203CC..EExtended strand (participates in β ladder)trans-65.3140.716900000110I137 V140 V164 I166 P173 I176I137-A171 HydrophobicContact CD1-CB 4.25Å; V140-A171 HydrophobicContact CG2-CB 3.97Å; V164-A171 HydrophobicContact CG1-CB 3.86Å; I166-A171 HydrophobicContact CG1-CB 4.39Å; A171-P173 WeakPolarHBondContact O-CD 3.49Å; A171-I176 HydrophobicContact CB-CD1 4.41Å
172L97.4Very high97.2Very high33 Ų3340.9 Ų40.917%0.17320%0.203CC..  trans-96.195.4179.5-57.3176.7000110P165 H174 A175 I176 I283P165-L172 HydrophobicContact CB-CD1 4.3Å; P165-L172 HydrophobicContact CG-CB 4.2Å; P165-L172 PolarHBondContact O-N 3.29Å; L172-H174 VanDerWaalsContact C-N 3.3Å; L172-H174 PolarHBondContact O-N 2.91Å; L172-A175 HydrophobicContact CB-CB 4.44Å; L172-A175 PolarHBondContact O-N 2.92Å; L172-I176 PolarHBondContact O-N 3.3Å; L172-I283 HydrophobicContact CD1-CD1 3.48Å; L172-I283 VanDerWaalsContact CD1-CD1 3.48Å
173P96.2Very high97.2Very high87 Ų8740.9 Ų40.957%0.56520%0.203SC*.G310 helixtrans-65.4-32-162.5-23.437.2000113.8A171 A175 I176A171-P173 WeakPolarHBondContact O-CD 3.49Å; P173-A175 PolarHBondContact O-N 3.32Å; P173-I176 PolarHBondContact O-N 2.97Å
174H96.9Very high97.1Very high112 Ų11242.4 Ų42.452%0.51921%0.208SC..G310 helixtrans-66.4-20.6178.765.9-86.2000113.4L172L172-H174 VanDerWaalsContact C-N 3.3Å; L172-H174 PolarHBondContact O-N 2.91Å
175A98.2Very high97.1Very high0 Ų044.1 Ų44.10%022%0.218CC..G310 helixtrans-109.72.1-177.100000113.1P165 L172 P173 L177 S275 K278 C279P165-A175 HydrophobicContact CG-CB 3.52Å; L172-A175 HydrophobicContact CB-CB 4.44Å; L172-A175 PolarHBondContact O-N 2.92Å; P173-A175 PolarHBondContact O-N 3.32Å; A175-L177 PolarHBondContact O-N 2.93Å; A175-S275 WeakPolarHBondContact O-CB 3.43Å; A175-S275 PolarHBondContact O-OG 2.82Å; A175-K278 HydrophobicContact CB-CB 3.68Å; A175-C279 VanDerWaalsContact CB-SG 3.5Å
176I98.5Very high97.1Very high14 Ų1444.1 Ų44.17%0.07222%0.218CC..  trans-69.5129.8171.2-61.6178.3000109.1P110 L111 T163 V164 A171 L172 P173P110-I176 HydrophobicContact CB-CD1 3.97Å; P110-I176 HydrophobicContact CB-CG2 4.04Å; P110-I176 HydrophobicContact CG-CG2 4.29Å; L111-I176 HydrophobicContact CD1-CB 4.4Å; L111-I176 HydrophobicContact CD1-CG2 3.96Å; L111-I176 HydrophobicContact CD2-CD1 4.34Å; L111-I176 HydrophobicContact CG-CG2 4.1Å; T163-I176 WeakPolarHBondContact O-CA 3.45Å; V164-I176 HydrophobicContact CG1-CD1 4.08Å; V164-I176 HydrophobicContact CG1-CG1 4.08Å; V164-I176 HydrophobicContact CG2-CG2 4.27Å; A171-I176 HydrophobicContact CB-CD1 4.41Å; L172-I176 PolarHBondContact O-N 3.3Å; P173-I176 PolarHBondContact O-N 2.97Å
177L98.3Very high97Very high33 Ų3344.1 Ų44.117%0.17322%0.218CC..EExtended strand (participates in β ladder)trans-118.8144.2170.4-58.8177.1000109.9H162 T163 A175 T271 N274 K278H162-L177 WeakPolarHBondContact CA-O 3.37Å; T163-L177 PolarHBondContact N-O 3.44Å; T163-L177 PolarHBondContact O-N 3.28Å; T163-L177 VanDerWaalsContact O-N 3.1Å; T163-L177 WeakPolarHBondContact OG1-CB 3.32Å; A175-L177 PolarHBondContact O-N 2.93Å; L177-T271 HydrophobicContact CB-CG2 3.63Å; L177-T271 HydrophobicContact CD1-CG2 4.01Å; L177-T271 WeakPolarHBondContact CD1-O 3.35Å; L177-T271 HydrophobicContact CG-CG2 4.48Å; L177-N274 HydrophobicContact CD1-CB 3.68Å; L177-K278 HydrophobicContact CD2-CD 4.22Å; L177-K278 VanDerWaalsContact CD2-NZ 3.33Å
178R96.5Very high97Very high81 Ų8143 Ų4331%0.30622%0.217SC..EExtended strand (participates in β ladder)trans-123.9136.3-176.8174.8176.9169.5117.75.6108.8H74 V160 D180H74-R178 VanDerWaalsContact O-CZ 3.22Å; H74-R178 PolarHBondContact O-NH1 2.93Å; H74-R178 PolarHBondContact O-NH2 3.48Å; V160-R178 HydrophobicContact CG2-CG 3.93Å; R178-D180 IonicContact CZ-OD1 2.78Å; R178-D180 IonicContact NE-OD1 2.73Å; R178-D180 PolarHBondContact NE-OD1 2.82Å; R178-D180 IonicContact NH2-OD1 3.19Å; R178-D180 PolarHBondContact NH2-OD1 3.27Å; R178-D180 IonicContact NH2-OD2 3.32Å
179L97Very high97Very high10 Ų1038 Ų385%0.05219%0.193CC..EExtended strand (participates in β ladder)trans-130114.3175.2-179.770000108S161 L181 M263 V268S161-L179 PolarHBondContact N-O 3.08Å; S161-L179 PolarHBondContact O-N 3.28Å; L179-L181 HydrophobicContact CD1-CB 4.37Å; L179-L181 HydrophobicContact CD2-CB 3.92Å; L179-L181 HydrophobicContact CD2-CD2 4.2Å; L179-L181 HydrophobicContact CD2-CG 4.47Å; L179-L181 HydrophobicContact CG-CB 3.76Å; L179-L181 PolarHBondContact O-N 2.99Å; L179-M263 HydrophobicContact CD1-CE 4.43Å; L179-V268 HydrophobicContact CD2-CG1 4.18Å
180D96.3Very high97.2Very high62 Ų6236.3 Ų36.333%0.33218%0.176SC..SBendtrans-7758.9175.3-75.18.7000109.8H74 R178 M263H74-D180 IonicContact CE1-OD2 3.59Å; H74-D180 IonicContact CG-OD2 3.57Å; H74-D180 IonicContact ND1-OD2 3.58Å; H74-D180 PolarHBondContact ND1-OD2 3.25Å; R178-D180 IonicContact CZ-OD1 2.78Å; R178-D180 IonicContact NE-OD1 2.73Å; R178-D180 PolarHBondContact NE-OD1 2.82Å; R178-D180 IonicContact NH2-OD1 3.19Å; R178-D180 PolarHBondContact NH2-OD1 3.27Å; R178-D180 IonicContact NH2-OD2 3.32Å; D180-M263 WeakPolarHBondContact O-CE 3.37Å
181L98Very high97.3Very high0 Ų031.8 Ų31.80%016%0.162CC..  trans-144117.5175.8171.954.6000108.4S161 L179 D185 A254 L255 P258 L261 M263S161-L181 WeakPolarHBondContact CB-O 3.44Å; S161-L181 PolarHBondContact OG-O 3.39Å; L179-L181 HydrophobicContact CD1-CB 4.37Å; L179-L181 HydrophobicContact CD2-CB 3.92Å; L179-L181 HydrophobicContact CD2-CD2 4.2Å; L179-L181 HydrophobicContact CD2-CG 4.47Å; L179-L181 HydrophobicContact CG-CB 3.76Å; L179-L181 PolarHBondContact O-N 2.99Å; L181-D185 WeakPolarHBondContact CA-OD2 3.21Å; L181-D185 HydrophobicContact CD1-CB 3.61Å; L181-A254 VanDerWaalsContact CD2-O 3.24Å; L181-A254 WeakPolarHBondContact CD2-O 3.22Å; L181-L255 HydrophobicContact CG-CD2 4.26Å; L181-P258 HydrophobicContact CD2-CB 3.88Å; L181-P258 HydrophobicContact CD2-CG 3.84Å; L181-L261 HydrophobicContact CD1-CD1 3.26Å; L181-L261 HydrophobicContact CD2-CD1 4.4Å; L181-L261 HydrophobicContact CG-CD1 4.46Å; L181-M263 HydrophobicContact CB-CE 4.02Å; L181-M263 HydrophobicContact CB-SD 4.06Å; L181-M263 HydrophobicContact CD1-SD 4.25Å; L181-M263 HydrophobicContact CD2-SD 4.17Å; L181-M263 HydrophobicContact CG-SD 4.38Å
182A98.2Very high97.1Very high0 Ų038.7 Ų38.70%019%0.189CC..SBendtrans-158.4-156-179.800000112.4G157 D158 R184 D185 L186G157-A182 WeakPolarHBondContact O-CB 3.44Å; D158-A182 CarbonylContact O-C 3.51Å; D158-A182 WeakPolarHBondContact O-CB 3.44Å; A182-R184 VanDerWaalsContact C-N 3.25Å; A182-R184 PolarHBondContact O-N 3.07Å; A182-R184 VanDerWaalsContact O-N 3.15Å; A182-D185 PolarHBondContact N-OD2 2.87Å; A182-D185 PolarHBondContact O-N 2.93Å; A182-L186 WeakPolarHBondContact O-CG 3.34Å; A182-L186 PolarHBondContact O-N 3.05Å
183G98.2Very high97Very high1 Ų138.4 Ų38.41%0.0119%0.187CC..Hα-helixtrans-56.8-32.7-170.900000115.2G157 D158 T187 K207 S297G157-G183 PolarHBondContact O-N 3.15Å; G157-G183 VanDerWaalsContact O-N 3.13Å; D158-G183 PolarHBondContact O-N 3.03Å; D158-G183 VanDerWaalsContact O-N 3.1Å; G183-T187 PolarHBondContact O-N 2.84Å; G183-T187 PolarHBondContact O-OG1 2.98Å; G183-K207 PolarHBondContact O-NZ 2.92Å; G183-S297 VanDerWaalsContact CA-OG 3.26Å; G183-S297 WeakPolarHBondContact CA-OG 3.34Å; G183-S297 PolarHBondContact N-OG 3.32Å; G183-S297 VanDerWaalsContact N-OG 3.08Å
184R96.9Very high96.8Very high34 Ų3435 Ų3513%0.12816%0.164CC..Hα-helixtrans-66.6-51.4178.9177162.5-51.917810.2111S15 D158 A182 L186 T187 D188S15-R184 PolarHBondContact O-NH2 3.35Å; S15-R184 VanDerWaalsContact O-NH2 3.16Å; D158-R184 WeakPolarHBondContact O-CB 3.48Å; D158-R184 PolarHBondContact O-N 3.14Å; D158-R184 PolarHBondContact OD1-N 3.08Å; D158-R184 IonicContact OD2-CZ 3.2Å; D158-R184 IonicContact OD2-NE 3.17Å; D158-R184 PolarHBondContact OD2-NE 2.84Å; D158-R184 IonicContact OD2-NH2 3.5Å; D158-R184 PolarHBondContact OD2-NH2 2.83Å; A182-R184 VanDerWaalsContact C-N 3.25Å; A182-R184 PolarHBondContact O-N 3.07Å; A182-R184 VanDerWaalsContact O-N 3.15Å; R184-L186 VanDerWaalsContact C-N 3.31Å; R184-L186 PolarHBondContact O-N 3.38Å; R184-T187 WeakPolarHBondContact O-CB 3.07Å; R184-T187 PolarHBondContact O-N 3.34Å; R184-T187 VanDerWaalsContact O-N 3.11Å; R184-D188 PolarHBondContact O-N 3.5Å
185D98Very high95.9Very high36 Ų3636.1 Ų36.119%0.19318%0.179CC..Hα-helixtrans-64.1-39.1179.1-45.4-75000111.2L181 A182 T187 D188 Y189 L261L181-D185 WeakPolarHBondContact CA-OD2 3.21Å; L181-D185 HydrophobicContact CD1-CB 3.61Å; A182-D185 PolarHBondContact N-OD2 2.87Å; A182-D185 PolarHBondContact O-N 2.93Å; D185-T187 VanDerWaalsContact C-N 3.31Å; D185-T187 PolarHBondContact O-N 3.15Å; D185-D188 PolarHBondContact O-N 2.91Å; D185-Y189 WeakPolarHBondContact O-CB 3.36Å; D185-Y189 PolarHBondContact O-N 2.99Å; D185-L261 HydrophobicContact CB-CD1 4.23Å
186L98.4Very high94.7Very high0 Ų040.6 Ų40.60%020%0.199CC..Hα-helixtrans-63.5-37.1174.5-66.2-176.7000112.3A182 R184 L190 K207 C251 A254 L255 F300A182-L186 WeakPolarHBondContact O-CG 3.34Å; A182-L186 PolarHBondContact O-N 3.05Å; R184-L186 VanDerWaalsContact C-N 3.31Å; R184-L186 PolarHBondContact O-N 3.38Å; L186-L190 WeakPolarHBondContact O-CB 3.48Å; L186-L190 PolarHBondContact O-N 3.45Å; L186-K207 HydrophobicContact CB-CD 3.92Å; L186-C251 WeakPolarHBondContact CD2-O 3.39Å; L186-C251 PolarHBondContact O-SG 2.95Å; L186-A254 HydrophobicContact CD2-CB 3.82Å; L186-L255 HydrophobicContact CD1-CD1 3.98Å; L186-L255 HydrophobicContact CD1-CD2 4.08Å; L186-L255 HydrophobicContact CD1-CG 3.88Å; L186-L255 HydrophobicContact CD2-CG 4.33Å; L186-F300 HydrophobicContact CD1-CE2 3.64Å; L186-F300 HydrophobicContact CD1-CZ 3.91Å
187T97.4Very high93.5Very high0 Ų052.1 Ų52.10%024%0.242CC..Hα-helixtrans-65.2-46.9175.4-53.60000110G183 R184 D185 Y189 L190 M191 R200 V203 R204 K207G183-T187 PolarHBondContact O-N 2.84Å; G183-T187 PolarHBondContact O-OG1 2.98Å; R184-T187 WeakPolarHBondContact O-CB 3.07Å; R184-T187 PolarHBondContact O-N 3.34Å; R184-T187 VanDerWaalsContact O-N 3.11Å; D185-T187 VanDerWaalsContact C-N 3.31Å; D185-T187 PolarHBondContact O-N 3.15Å; T187-Y189 VanDerWaalsContact C-N 3.3Å; T187-Y189 PolarHBondContact O-N 3.4Å; T187-L190 PolarHBondContact O-N 3.16Å; T187-M191 WeakPolarHBondContact O-CG 3.41Å; T187-M191 PolarHBondContact O-N 3Å; T187-R200 HydrophobicContact CG2-CG 4.01Å; T187-V203 HydrophobicContact CG2-CB 4.39Å; T187-V203 HydrophobicContact CG2-CG1 4.26Å; T187-R204 HydrophobicContact CG2-CB 3.89Å; T187-K207 VanDerWaalsContact OG1-CE 3.31Å; T187-K207 WeakPolarHBondContact OG1-CE 3.2Å; T187-K207 PolarHBondContact OG1-NZ 2.86Å; T187-K207 VanDerWaalsContact OG1-NZ 3.17Å
188D95.7Very high92.7Very high59 Ų5951.4 Ų51.432%0.31624%0.241SC..Hα-helixtrans-68.4-32.1-179.4-61.7-11.1000111.4R184 D185 K192 R200R184-D188 PolarHBondContact O-N 3.5Å; D185-D188 PolarHBondContact O-N 2.91Å; D188-K192 WeakPolarHBondContact O-CG 3.46Å; D188-K192 PolarHBondContact O-N 2.68Å; D188-R200 IonicContact OD1-CZ 3.79Å; D188-R200 IonicContact OD1-NE 2.93Å; D188-R200 PolarHBondContact OD1-NE 2.98Å; D188-R200 IonicContact OD1-NH2 3.47Å
189Y96.9Very high92.4Very high21 Ų2153.1 Ų53.18%0.08225%0.253CS..Hα-helixtrans-66.1-47.3170.6-177.3-141.6000111.7D185 T187 M191 K192 I193 R250 A254 F260 L261D185-Y189 WeakPolarHBondContact O-CB 3.36Å; D185-Y189 PolarHBondContact O-N 2.99Å; T187-Y189 VanDerWaalsContact C-N 3.3Å; T187-Y189 PolarHBondContact O-N 3.4Å; Y189-M191 PolarHBondContact O-N 2.68Å; Y189-K192 WeakPolarHBondContact O-CA 3.35Å; Y189-K192 WeakPolarHBondContact O-CB 3.21Å; Y189-K192 PolarHBondContact O-N 2.89Å; Y189-I193 HydrophobicContact CD2-CG2 3.95Å; Y189-I193 HydrophobicContact CE1-CD1 4.25Å; Y189-I193 HydrophobicContact CE2-CG2 3.38Å; Y189-I193 PolarHBondContact O-N 3.11Å; Y189-I193 VanDerWaalsContact O-N 3.07Å; Y189-R250 WeakPolarHBondContact CE1-O 3.41Å; Y189-A254 HydrophobicContact CD1-CB 4.09Å; Y189-A254 HydrophobicContact CE1-CB 4.19Å; Y189-F260 HydrophobicContact CE1-CB 4.39Å; Y189-L261 HydrophobicContact CD1-CD2 4.49Å; Y189-L261 HydrophobicContact CD2-CD2 3.88Å; Y189-L261 HydrophobicContact CG-CD2 3.72Å; Y189-L261 HydrophobicContact CG-CG 4.37Å
190L97.3Very high92.1Very high0 Ų054.8 Ų54.80%026%0.258CS..Hα-helixtrans-59-40.9177.6-174.859.4000110.4L186 T187 K192 I193 L194 V203 I206 K207 E247 C251L186-L190 WeakPolarHBondContact O-CB 3.48Å; L186-L190 PolarHBondContact O-N 3.45Å; T187-L190 PolarHBondContact O-N 3.16Å; L190-K192 PolarHBondContact O-N 3.29Å; L190-I193 HydrophobicContact CD1-CD1 4.09Å; L190-I193 HydrophobicContact CD1-CG1 4.06Å; L190-I193 WeakPolarHBondContact O-CG1 3.29Å; L190-I193 PolarHBondContact O-N 3.11Å; L190-L194 HydrophobicContact CD1-CD1 4.18Å; L190-L194 HydrophobicContact CD1-CD2 4.28Å; L190-L194 HydrophobicContact CD1-CG 3.92Å; L190-L194 HydrophobicContact CD2-CD1 4.44Å; L190-L194 HydrophobicContact CG-CD1 3.82Å; L190-L194 HydrophobicContact CG-CG 4.06Å; L190-L194 WeakPolarHBondContact O-CB 3.24Å; L190-L194 WeakPolarHBondContact O-CG 3.39Å; L190-L194 PolarHBondContact O-N 3.01Å; L190-V203 HydrophobicContact CB-CG1 3.69Å; L190-V203 HydrophobicContact CD2-CG1 3.68Å; L190-V203 HydrophobicContact CG-CG1 3.59Å; L190-I206 HydrophobicContact CD2-CG2 4.1Å; L190-K207 HydrophobicContact CD2-CB 3.66Å; L190-K207 HydrophobicContact CD2-CG 4.39Å; L190-E247 HydrophobicContact CD1-CB 3.79Å; L190-C251 HydrophobicContact CB-CB 4.27Å; L190-C251 HydrophobicContact CD1-CB 3.99Å
191M95.5Very high91.9Very high68 Ų6853.1 Ų53.134%0.33525%0.248SC..Hα-helixtrans-57.6-35.4173.8-71.9179.868.500112.8T187 Y189 R200 V203T187-M191 WeakPolarHBondContact O-CG 3.41Å; T187-M191 PolarHBondContact O-N 3Å; Y189-M191 PolarHBondContact O-N 2.68Å; M191-R200 HydrophobicContact CE-CB 4.19Å; M191-R200 HydrophobicContact SD-CB 3.67Å; M191-R200 HydrophobicContact SD-CG 3.67Å; M191-V203 HydrophobicContact CB-CG1 4.43Å; M191-V203 HydrophobicContact CG-CB 3.69Å; M191-V203 HydrophobicContact CG-CG1 3.62Å; M191-V203 HydrophobicContact CG-CG2 3.69Å
192K93.8Very high91.7Very high162 Ų16254.6 Ų54.670%0.70426%0.256SS*.Hα-helixtrans-75.7-35.6179.5-70.3171-176.8174.30112.9D188 Y189 L190D188-K192 WeakPolarHBondContact O-CG 3.46Å; D188-K192 PolarHBondContact O-N 2.68Å; Y189-K192 WeakPolarHBondContact O-CA 3.35Å; Y189-K192 WeakPolarHBondContact O-CB 3.21Å; Y189-K192 PolarHBondContact O-N 2.89Å; L190-K192 PolarHBondContact O-N 3.29Å
193I94.2Very high91.6Very high27 Ų2754.6 Ų54.614%0.13826%0.256CS..Hα-helixtrans-89.4-18-177.965.8177000112.8Y189 L190 E247 R250 C251Y189-I193 HydrophobicContact CD2-CG2 3.95Å; Y189-I193 HydrophobicContact CE1-CD1 4.25Å; Y189-I193 HydrophobicContact CE2-CG2 3.38Å; Y189-I193 PolarHBondContact O-N 3.11Å; Y189-I193 VanDerWaalsContact O-N 3.07Å; L190-I193 HydrophobicContact CD1-CD1 4.09Å; L190-I193 HydrophobicContact CD1-CG1 4.06Å; L190-I193 WeakPolarHBondContact O-CG1 3.29Å; L190-I193 PolarHBondContact O-N 3.11Å; I193-E247 HydrophobicContact CB-CG 4.41Å; I193-E247 HydrophobicContact CD1-CB 3.85Å; I193-E247 HydrophobicContact CD1-CG 4.02Å; I193-E247 HydrophobicContact CG1-CB 4.14Å; I193-E247 HydrophobicContact CG1-CG 3.92Å; I193-R250 HydrophobicContact CD1-CB 4.28Å; I193-C251 HydrophobicContact CD1-CB 4.31Å
194L92.9Very high91.5Very high16 Ų1657.8 Ų57.88%0.08427%0.268CS..  trans-72127.6165.8-71175.5000109.4L190 E196 V203 I206 I244 E247L190-L194 HydrophobicContact CD1-CD1 4.18Å; L190-L194 HydrophobicContact CD1-CD2 4.28Å; L190-L194 HydrophobicContact CD1-CG 3.92Å; L190-L194 HydrophobicContact CD2-CD1 4.44Å; L190-L194 HydrophobicContact CG-CD1 3.82Å; L190-L194 HydrophobicContact CG-CG 4.06Å; L190-L194 WeakPolarHBondContact O-CB 3.24Å; L190-L194 WeakPolarHBondContact O-CG 3.39Å; L190-L194 PolarHBondContact O-N 3.01Å; L194-E196 PolarHBondContact O-N 2.77Å; L194-V203 HydrophobicContact CD1-CG1 3.95Å; L194-V203 HydrophobicContact CD1-CG2 3.93Å; L194-I206 HydrophobicContact CD1-CD1 4.36Å; L194-I244 HydrophobicContact CD2-CD1 3.84Å; L194-I244 HydrophobicContact CD2-CG2 4.22Å; L194-E247 HydrophobicContact CD2-CB 4.33Å; L194-E247 HydrophobicContact CD2-CG 4.18Å
195T77.3Confident91.5Very high135 Ų13557.9 Ų57.983%0.82827%0.271SS*.SBendtrans-69.3-27175.2-53.50000111.3
196E74.2Confident91.5Very high93 Ų9356.2 Ų56.244%0.43526%0.262SS..SBendtrans-78.2132.9-178.5-65.4-62.6162.200112.1L194 A198 I242L194-E196 PolarHBondContact O-N 2.77Å; E196-A198 PolarHBondContact O-N 3.03Å; E196-I242 HydrophobicContact CG-CG2 4.15Å
197R72.8Confident91.4Very high256 Ų25656.6 Ų56.697%0.96626%0.264SS*.  trans-78.372.5174.7-69.3-173.2176.8-174.40110.6
198A82.3Confident91.5Very high19 Ų1961.9 Ų61.916%0.15729%0.288CS..  trans-85.9150.5175.200000111.9E196 I202 V203E196-A198 PolarHBondContact O-N 3.03Å; A198-I202 HydrophobicContact CB-CB 4.4Å; A198-I202 HydrophobicContact CB-CG2 4.27Å; A198-V203 HydrophobicContact CB-CG2 3.64Å
199E88.6Confident91.6Very high117 Ų11765.5 Ų65.555%0.54730%0.301SS..  trans-63.6146.3170.1-65.5-164.917800111R63 E201 I202 V203R63-E199 IonicContact NE-OE2 3.8Å; E199-E201 PolarHBondContact O-N 2.79Å; E199-I202 HydrophobicContact CB-CD1 4.1Å; E199-I202 HydrophobicContact CB-CG1 4.3Å; E199-I202 HydrophobicContact CG-CD1 4.49Å; E199-I202 WeakPolarHBondContact O-CB 3.34Å; E199-I202 PolarHBondContact O-N 2.76Å; E199-V203 PolarHBondContact O-N 3.21Å
200R91.3Very high91.6Very high45 Ų4565.7 Ų65.717%0.1730%0.304CS..Hα-helixtrans-50.8-36.1-177-175.6172.8-177.2-74.6-13.5114.5T187 D188 M191 V203 R204T187-R200 HydrophobicContact CG2-CG 4.01Å; D188-R200 IonicContact OD1-CZ 3.79Å; D188-R200 IonicContact OD1-NE 2.93Å; D188-R200 PolarHBondContact OD1-NE 2.98Å; D188-R200 IonicContact OD1-NH2 3.47Å; M191-R200 HydrophobicContact CE-CB 4.19Å; M191-R200 HydrophobicContact SD-CB 3.67Å; M191-R200 HydrophobicContact SD-CG 3.67Å; R200-V203 PolarHBondContact O-N 2.91Å; R200-R204 PolarHBondContact O-N 2.81Å
201E91.5Very high91.7Very high26 Ų2665.9 Ų65.912%0.12131%0.305CS..Hα-helixtrans-74.2-35.5179.4-62.8-58.7146.900113.5Q60 R63 E199 V203 R204 D205Q60-E201 PolarHBondContact NE2-OE1 2.88Å; Q60-E201 VanDerWaalsContact NE2-OE1 3.15Å; Q60-E201 PolarHBondContact NE2-OE2 2.9Å; R63-E201 VanDerWaalsContact CZ-CG 3.42Å; R63-E201 IonicContact CZ-OE1 3.72Å; R63-E201 IonicContact NH1-OE1 2.76Å; R63-E201 PolarHBondContact NH1-OE1 3.17Å; E199-E201 PolarHBondContact O-N 2.79Å; E201-V203 PolarHBondContact O-N 3.17Å; E201-R204 WeakPolarHBondContact O-CB 3.5Å; E201-R204 PolarHBondContact O-N 3.45Å; E201-R204 IonicContact OE2-CZ 2.78Å; E201-R204 IonicContact OE2-NE 2.91Å; E201-R204 PolarHBondContact OE2-NE 3.29Å; E201-R204 IonicContact OE2-NH2 3.82Å; E201-R204 PolarHBondContact OE2-NH2 3.48Å; E201-D205 WeakPolarHBondContact O-CB 3.48Å; E201-D205 PolarHBondContact O-N 3.2Å
202I93.9Very high91.8Very high31 Ų3164.2 Ų64.216%0.15930%0.296CS..Hα-helixtrans-62.6-43.2172.8-61.4172.6000108A198 E199 R204 D205 I206 Y234 L236 P237A198-I202 HydrophobicContact CB-CB 4.4Å; A198-I202 HydrophobicContact CB-CG2 4.27Å; E199-I202 HydrophobicContact CB-CD1 4.1Å; E199-I202 HydrophobicContact CB-CG1 4.3Å; E199-I202 HydrophobicContact CG-CD1 4.49Å; E199-I202 WeakPolarHBondContact O-CB 3.34Å; E199-I202 PolarHBondContact O-N 2.76Å; I202-R204 PolarHBondContact O-N 3.48Å; I202-D205 PolarHBondContact O-N 2.99Å; I202-I206 HydrophobicContact CG2-CD1 3.97Å; I202-I206 HydrophobicContact CG2-CG1 4.47Å; I202-I206 VanDerWaalsContact O-CG1 3.28Å; I202-I206 WeakPolarHBondContact O-CG1 3.26Å; I202-I206 PolarHBondContact O-N 3.35Å; I202-Y234 HydrophobicContact CG2-CE1 3.81Å; I202-L236 HydrophobicContact CG2-CD2 3.59Å; I202-P237 HydrophobicContact CD1-CG 3.93Å; I202-P237 HydrophobicContact CG1-CG 4.26Å
203V96.5Very high92.1Very high1 Ų156.7 Ų56.71%0.00626%0.263CS..Hα-helixtrans-65.5-37.7176.5-178.10000112.5T187 L190 M191 L194 A198 E199 R200 E201 D205 I206 K207T187-V203 HydrophobicContact CG2-CB 4.39Å; T187-V203 HydrophobicContact CG2-CG1 4.26Å; L190-V203 HydrophobicContact CB-CG1 3.69Å; L190-V203 HydrophobicContact CD2-CG1 3.68Å; L190-V203 HydrophobicContact CG-CG1 3.59Å; M191-V203 HydrophobicContact CB-CG1 4.43Å; M191-V203 HydrophobicContact CG-CB 3.69Å; M191-V203 HydrophobicContact CG-CG1 3.62Å; M191-V203 HydrophobicContact CG-CG2 3.69Å; L194-V203 HydrophobicContact CD1-CG1 3.95Å; L194-V203 HydrophobicContact CD1-CG2 3.93Å; A198-V203 HydrophobicContact CB-CG2 3.64Å; E199-V203 PolarHBondContact O-N 3.21Å; R200-V203 PolarHBondContact O-N 2.91Å; E201-V203 PolarHBondContact O-N 3.17Å; V203-D205 VanDerWaalsContact C-N 3.34Å; V203-I206 PolarHBondContact O-N 3.1Å; V203-K207 WeakPolarHBondContact O-CB 3.43Å; V203-K207 PolarHBondContact O-N 3.32Å
204R95.9Very high92.3Very high67 Ų6755.4 Ų55.425%0.25326%0.257SS..Hα-helixtrans-60.6-44172.1-172.7-177.166.983.10.2111.5T187 R200 E201 I202 K207 E208T187-R204 HydrophobicContact CG2-CB 3.89Å; R200-R204 PolarHBondContact O-N 2.81Å; E201-R204 WeakPolarHBondContact O-CB 3.5Å; E201-R204 PolarHBondContact O-N 3.45Å; E201-R204 IonicContact OE2-CZ 2.78Å; E201-R204 IonicContact OE2-NE 2.91Å; E201-R204 PolarHBondContact OE2-NE 3.29Å; E201-R204 IonicContact OE2-NH2 3.82Å; E201-R204 PolarHBondContact OE2-NH2 3.48Å; I202-R204 PolarHBondContact O-N 3.48Å; R204-K207 WeakPolarHBondContact O-CB 3.35Å; R204-K207 PolarHBondContact O-N 2.69Å; R204-E208 WeakPolarHBondContact CG-OE1 3.21Å; R204-E208 IonicContact CZ-OE1 3.52Å; R204-E208 VanDerWaalsContact NH1-CD 3.31Å; R204-E208 IonicContact NH1-OE1 2.87Å; R204-E208 PolarHBondContact NH1-OE1 3.49Å; R204-E208 IonicContact NH1-OE2 3.54Å; R204-E208 PolarHBondContact NH1-OE2 2.9Å; R204-E208 WeakPolarHBondContact O-CG 3.06Å; R204-E208 PolarHBondContact O-N 3.02Å
205D96.6Very high92.5Very high37 Ų3759 Ų5920%0.19828%0.276CS..Hα-helixtrans-67.4-41.5178.6-174.373.7000112E201 I202 V203 K207 E208 K209 Y234E201-D205 WeakPolarHBondContact O-CB 3.48Å; E201-D205 PolarHBondContact O-N 3.2Å; I202-D205 PolarHBondContact O-N 2.99Å; V203-D205 VanDerWaalsContact C-N 3.34Å; D205-K207 VanDerWaalsContact C-N 3.32Å; D205-K207 PolarHBondContact O-N 3.36Å; D205-E208 PolarHBondContact O-N 2.95Å; D205-K209 VanDerWaalsContact CG-NZ 3.25Å; D205-K209 WeakPolarHBondContact O-CB 3.47Å; D205-K209 WeakPolarHBondContact O-CG 3.34Å; D205-K209 PolarHBondContact O-N 3.14Å; D205-K209 WeakPolarHBondContact OD1-CE 3.49Å; D205-K209 IonicContact OD1-NZ 2.72Å; D205-K209 PolarHBondContact OD1-NZ 3.09Å; D205-K209 WeakPolarHBondContact OD2-CD 3.39Å; D205-K209 VanDerWaalsContact OD2-CE 3.32Å; D205-K209 WeakPolarHBondContact OD2-CE 3.41Å; D205-K209 IonicContact OD2-NZ 3.88Å; D205-K209 PolarHBondContact OD2-NZ 3.35Å; D205-Y234 VanDerWaalsContact OD2-CE2 3.26Å; D205-Y234 WeakPolarHBondContact OD2-CE2 3.49Å; D205-Y234 VanDerWaalsContact OD2-CZ 3.3Å; D205-Y234 PolarHBondContact OD2-OH 3.43Å
206I97.8Very high93.5Very high0 Ų055.4 Ų55.40%025%0.252CS..Hα-helixtrans-56-48.8170.5-70.3165.7000110.1L190 L194 I202 V203 E208 K209 L210 Y234 I242 I244L190-I206 HydrophobicContact CD2-CG2 4.1Å; L194-I206 HydrophobicContact CD1-CD1 4.36Å; I202-I206 HydrophobicContact CG2-CD1 3.97Å; I202-I206 HydrophobicContact CG2-CG1 4.47Å; I202-I206 VanDerWaalsContact O-CG1 3.28Å; I202-I206 WeakPolarHBondContact O-CG1 3.26Å; I202-I206 PolarHBondContact O-N 3.35Å; V203-I206 PolarHBondContact O-N 3.1Å; I206-E208 PolarHBondContact O-N 2.61Å; I206-K209 PolarHBondContact O-N 3.1Å; I206-L210 HydrophobicContact CG2-CD1 4.34Å; I206-L210 WeakPolarHBondContact O-CB 3.43Å; I206-L210 PolarHBondContact O-N 3.21Å; I206-Y234 HydrophobicContact CB-CD2 4.5Å; I206-Y234 HydrophobicContact CB-CE2 4.48Å; I206-Y234 HydrophobicContact CD1-CD1 4.04Å; I206-Y234 HydrophobicContact CD1-CE1 4.19Å; I206-Y234 HydrophobicContact CD1-CG 4.28Å; I206-Y234 HydrophobicContact CG1-CD1 3.79Å; I206-Y234 HydrophobicContact CG1-CD2 3.6Å; I206-Y234 HydrophobicContact CG1-CE1 3.82Å; I206-Y234 HydrophobicContact CG1-CE2 3.61Å; I206-Y234 HydrophobicContact CG1-CG 3.68Å; I206-I242 HydrophobicContact CD1-CD1 4Å; I206-I244 HydrophobicContact CD1-CD1 4.46Å; I206-I244 HydrophobicContact CG2-CD1 4.36Å; I206-I244 HydrophobicContact CG2-CG1 4Å; I206-I244 HydrophobicContact CG2-CG2 4.41Å
207K98.1Very high94.7Very high8 Ų851.9 Ų51.94%0.03524%0.235CC..Hα-helixtrans-57.3-51.9178.8-178-168.961.21520111.1G183 L186 T187 L190 V203 R204 D205 K209 C211 F300G183-K207 PolarHBondContact O-NZ 2.92Å; L186-K207 HydrophobicContact CB-CD 3.92Å; T187-K207 VanDerWaalsContact OG1-CE 3.31Å; T187-K207 WeakPolarHBondContact OG1-CE 3.2Å; T187-K207 PolarHBondContact OG1-NZ 2.86Å; T187-K207 VanDerWaalsContact OG1-NZ 3.17Å; L190-K207 HydrophobicContact CD2-CB 3.66Å; L190-K207 HydrophobicContact CD2-CG 4.39Å; V203-K207 WeakPolarHBondContact O-CB 3.43Å; V203-K207 PolarHBondContact O-N 3.32Å; R204-K207 WeakPolarHBondContact O-CB 3.35Å; R204-K207 PolarHBondContact O-N 2.69Å; D205-K207 VanDerWaalsContact C-N 3.32Å; D205-K207 PolarHBondContact O-N 3.36Å; K207-K209 VanDerWaalsContact C-N 3.35Å; K207-K209 PolarHBondContact O-N 2.89Å; K207-C211 HydrophobicContact CG-CB 4.48Å; K207-C211 WeakPolarHBondContact O-CB 3.3Å; K207-C211 PolarHBondContact O-N 3.43Å; K207-F300 HydrophobicContact CD-CZ 4.09Å; K207-F300 HydrophobicContact CG-CE1 3.89Å; K207-F300 HydrophobicContact CG-CZ 3.89Å
208E97.9Very high95.9Very high112 Ų11245.7 Ų45.752%0.52322%0.217SC..Hα-helixtrans-67.4-33.1-176.5-72.4173.5-159.700113R204 D205 I206R204-E208 WeakPolarHBondContact CG-OE1 3.21Å; R204-E208 IonicContact CZ-OE1 3.52Å; R204-E208 VanDerWaalsContact NH1-CD 3.31Å; R204-E208 IonicContact NH1-OE1 2.87Å; R204-E208 PolarHBondContact NH1-OE1 3.49Å; R204-E208 IonicContact NH1-OE2 3.54Å; R204-E208 PolarHBondContact NH1-OE2 2.9Å; R204-E208 WeakPolarHBondContact O-CG 3.06Å; R204-E208 PolarHBondContact O-N 3.02Å; D205-E208 PolarHBondContact O-N 2.95Å; I206-E208 PolarHBondContact O-N 2.61Å
209K97.9Very high96.6Very high134 Ų13451 Ų5158%0.58324%0.238SC*.Hα-helixtrans-87.6-36.7-178.2-72.3177.7179.1160.20114.3D205 I206 K207 Y234D205-K209 VanDerWaalsContact CG-NZ 3.25Å; D205-K209 WeakPolarHBondContact O-CB 3.47Å; D205-K209 WeakPolarHBondContact O-CG 3.34Å; D205-K209 PolarHBondContact O-N 3.14Å; D205-K209 WeakPolarHBondContact OD1-CE 3.49Å; D205-K209 IonicContact OD1-NZ 2.72Å; D205-K209 PolarHBondContact OD1-NZ 3.09Å; D205-K209 WeakPolarHBondContact OD2-CD 3.39Å; D205-K209 VanDerWaalsContact OD2-CE 3.32Å; D205-K209 WeakPolarHBondContact OD2-CE 3.41Å; D205-K209 IonicContact OD2-NZ 3.88Å; D205-K209 PolarHBondContact OD2-NZ 3.35Å; I206-K209 PolarHBondContact O-N 3.1Å; K207-K209 VanDerWaalsContact C-N 3.35Å; K207-K209 PolarHBondContact O-N 2.89Å; K209-Y234 HydrophobicContact CD-CE2 4.37Å
210L98.2Very high97Very high26 Ų2647.5 Ų47.514%0.13622%0.222CC..Hα-helixtrans-114-25.8-165.6-57.7-172.7000114.1I206 K232 Y234 I244 R248I206-L210 HydrophobicContact CG2-CD1 4.34Å; I206-L210 WeakPolarHBondContact O-CB 3.43Å; I206-L210 PolarHBondContact O-N 3.21Å; L210-K232 HydrophobicContact CD1-CB 4.17Å; L210-K232 HydrophobicContact CD2-CB 4.13Å; L210-Y234 HydrophobicContact CD1-CD2 4Å; L210-Y234 HydrophobicContact CD1-CG 4.41Å; L210-I244 HydrophobicContact CD1-CB 4.37Å; L210-I244 HydrophobicContact CD1-CG1 3.9Å; L210-R248 HydrophobicContact CB-CG 4.42Å; L210-R248 VanDerWaalsContact O-CZ 3.24Å; L210-R248 PolarHBondContact O-NE 2.99Å; L210-R248 PolarHBondContact O-NH2 2.96Å
211C98.6Very high97.3Very high3 Ų347.9 Ų47.92%0.0223%0.226CC..  trans-75.2152.9-177.6-69.20000112.9K207 R248 P252 F300K207-C211 HydrophobicContact CG-CB 4.48Å; K207-C211 WeakPolarHBondContact O-CB 3.3Å; K207-C211 PolarHBondContact O-N 3.43Å; C211-R248 CarbonylContact C-O 3.6Å; C211-R248 WeakPolarHBondContact CA-O 3.45Å; C211-R248 WeakPolarHBondContact CB-O 3.3Å; C211-R248 PolarHBondContact SG-O 2.84Å; C211-P252 HydrophobicContact CB-CG 4.36Å; C211-F300 HydrophobicContact CB-CD1 3.94Å; C211-F300 HydrophobicContact CB-CE1 3.65Å
212F98.7Very high97.6Very high33 Ų3349.6 Ų49.615%0.14525%0.245CC..  trans-153.3157.6178.567.5-82.4000110E220 R248 F249 P252 P301F212-E220 HydrophobicContact CE2-CG 4.45Å; F212-E220 HydrophobicContact CZ-CG 4.46Å; F212-R248 HydrophobicContact CD1-CB 4.1Å; F212-R248 HydrophobicContact CE1-CB 3.86Å; F212-R248 PolarHBondContact N-O 3.44Å; F212-F249 HydrophobicContact CD2-CB 4.33Å; F212-F249 HydrophobicContact CE1-CB 4.15Å; F212-F249 HydrophobicContact CE1-CD1 4.21Å; F212-F249 HydrophobicContact CE2-CB 3.94Å; F212-F249 HydrophobicContact CZ-CB 3.85Å; F212-F249 AromaticContact CZ-CD1 3.78Å; F212-F249 HydrophobicContact CZ-CD1 3.78Å; F212-F249 HydrophobicContact CZ-CG 4.19Å; F212-F249 VanDerWaalsContact O-CA 3.23Å; F212-F249 WeakPolarHBondContact O-CA 3.46Å; F212-F249 WeakPolarHBondContact O-CB 3.5Å; F212-P252 WeakPolarHBondContact O-CG 3.34Å; F212-P301 HydrophobicContact CB-CB 4.07Å; F212-P301 HydrophobicContact CB-CG 4.4Å
213V98.8Very high97.7Very high4 Ų450.4 Ų50.42%0.02425%0.251CS..  trans-91123.8176.2173.30000109.2P252 F256 F300 P301 I303 R306V213-P252 HydrophobicContact CG2-CB 3.86Å; V213-P252 HydrophobicContact CG2-CG 4.23Å; V213-F256 HydrophobicContact CG1-CD2 4.39Å; V213-F256 HydrophobicContact CG1-CE2 3.67Å; V213-F256 HydrophobicContact CG1-CZ 4.11Å; V213-F256 HydrophobicContact CG2-CE2 4.09Å; V213-F300 HydrophobicContact CG2-CB 3.87Å; V213-F300 HydrophobicContact CG2-CG 4.43Å; V213-P301 PolarHBondContact N-O 2.87Å; V213-I303 HydrophobicContact CB-CB 4.28Å; V213-I303 HydrophobicContact CG2-CB 3.92Å; V213-I303 HydrophobicContact CG2-CG1 4.07Å; V213-R306 HydrophobicContact CG1-CB 3.49Å; V213-R306 VanDerWaalsContact CG1-CB 3.49Å; V213-R306 HydrophobicContact CG1-CG 3.66Å
214A98.4Very high97.7Very high1 Ų151.4 Ų51.41%0.00826%0.259CS..  trans-71.9140.717300000110.8E220 F249 R306A214-E220 HydrophobicContact CB-CB 3.75Å; A214-E220 HydrophobicContact CB-CG 3.88Å; A214-F249 HydrophobicContact CB-CB 4.22Å; A214-F249 HydrophobicContact CB-CD2 4.23Å; A214-F249 HydrophobicContact CB-CG 4.43Å; A214-R306 WeakPolarHBondContact O-CD 3.39Å; A214-R306 PolarHBondContact O-NH1 3.43Å
215L98.4Very high97.7Very high92 Ų9252.5 Ų52.548%0.48228%0.283SS..SBendtrans-70.5-35.5174.2-176.365.1000111.6D305 R306 K309L215-D305 HydrophobicContact CD1-CB 4.21Å; L215-R306 WeakPolarHBondContact O-CD 3.28Å; L215-K309 HydrophobicContact CD1-CB 4.07Å; L215-K309 HydrophobicContact CD1-CD 3.83Å; L215-K309 HydrophobicContact CG-CD 4.14Å; L215-K309 WeakPolarHBondContact O-CD 3.44Å; L215-K309 PolarHBondContact O-NZ 2.93Å
216D98.2Very high97.6Very high59 Ų5955.5 Ų55.532%0.31631%0.307SS..SBendtrans-134.6107.6173.3-166.1-62.8000108.8E218 Q219 E220 K309D216-E218 PolarHBondContact O-N 3.46Å; D216-E218 PolarHBondContact OD1-N 3.33Å; D216-Q219 HydrophobicContact CB-CB 3.92Å; D216-Q219 PolarHBondContact O-N 2.87Å; D216-Q219 PolarHBondContact OD1-N 2.8Å; D216-Q219 VanDerWaalsContact OD1-N 3.09Å; D216-E220 WeakPolarHBondContact O-CB 3.21Å; D216-E220 PolarHBondContact O-N 3.28Å; D216-K309 IonicContact OD2-NZ 3.18Å; D216-K309 PolarHBondContact OD2-NZ 3.41Å
217F97.9Very high97.3Very high18 Ų1857.8 Ų57.88%0.07932%0.323CS..Hα-helixtrans-62.8-44.2-172177.3-102.6000112.4E220 M221 F249 R250 E253 F260F217-E220 PolarHBondContact O-N 3.44Å; F217-M221 HydrophobicContact CD1-CG 4.3Å; F217-M221 HydrophobicContact CE1-CG 3.84Å; F217-M221 HydrophobicContact CE2-CG 4.15Å; F217-M221 HydrophobicContact CE2-SD 4.36Å; F217-M221 HydrophobicContact CZ-CG 3.76Å; F217-M221 HydrophobicContact CZ-SD 4.04Å; F217-M221 WeakPolarHBondContact O-CG 3.36Å; F217-M221 PolarHBondContact O-N 2.88Å; F217-F249 AromaticContact CD2-CD2 3.98Å; F217-F249 HydrophobicContact CD2-CD2 3.98Å; F217-F249 HydrophobicContact CD2-CE2 4.22Å; F217-F249 AromaticContact CE2-CD2 3.94Å; F217-F249 HydrophobicContact CE2-CD2 3.94Å; F217-F249 HydrophobicContact CE2-CE2 4.02Å; F217-R250 HydrophobicContact CE2-CB 4.44Å; F217-R250 HydrophobicContact CE2-CG 3.82Å; F217-R250 HydrophobicContact CZ-CG 3.98Å; F217-E253 HydrophobicContact CB-CG 4.47Å; F217-E253 HydrophobicContact CD1-CG 4.43Å; F217-E253 HydrophobicContact CD2-CB 3.83Å; F217-E253 HydrophobicContact CD2-CG 3.46Å; F217-E253 VanDerWaalsContact CD2-CG 3.46Å; F217-E253 HydrophobicContact CE2-CB 3.84Å; F217-E253 HydrophobicContact CE2-CG 3.72Å; F217-E253 HydrophobicContact CG-CG 3.86Å; F217-E253 HydrophobicContact CZ-CG 4.3Å; F217-F260 HydrophobicContact CE1-CE2 4.15Å; F217-F260 AromaticContact CE1-CZ 3.8Å; F217-F260 HydrophobicContact CE1-CZ 3.8Å; F217-F260 HydrophobicContact CE2-CE2 4.19Å; F217-F260 AromaticContact CZ-CE2 3.7Å; F217-F260 HydrophobicContact CZ-CE2 3.7Å; F217-F260 AromaticContact CZ-CZ 3.82Å; F217-F260 HydrophobicContact CZ-CZ 3.82Å
218E97.7Very high97.1Very high127 Ų12761.1 Ų61.159%0.59335%0.347SS*.Hα-helixtrans-69-40-177.6-63.2-57.2148.200111.6D216 M221 A222D216-E218 PolarHBondContact O-N 3.46Å; D216-E218 PolarHBondContact OD1-N 3.33Å; E218-M221 WeakPolarHBondContact O-CB 3.31Å; E218-M221 PolarHBondContact O-N 3.31Å; E218-A222 PolarHBondContact O-N 2.86Å
219Q97.4Very high96.9Very high130 Ų13059.6 Ų59.661%0.60735%0.349SS*.Hα-helixtrans-63.9-41.5174.5-173.3-179.5-2.200112D216 M221 A222 T223D216-Q219 HydrophobicContact CB-CB 3.92Å; D216-Q219 PolarHBondContact O-N 2.87Å; D216-Q219 PolarHBondContact OD1-N 2.8Å; D216-Q219 VanDerWaalsContact OD1-N 3.09Å; Q219-M221 VanDerWaalsContact C-N 3.35Å; Q219-A222 PolarHBondContact O-N 2.72Å; Q219-T223 PolarHBondContact O-N 2.98Å; Q219-T223 PolarHBondContact O-OG1 2.75Å
220E97.5Very high96.7Very high44 Ų4454.4 Ų54.421%0.20633%0.327CS..Hα-helixtrans-66.4-38.6177.6-156.177.1-129.300111F212 A214 D216 F217 T223 A224 L230 F249F212-E220 HydrophobicContact CE2-CG 4.45Å; F212-E220 HydrophobicContact CZ-CG 4.46Å; A214-E220 HydrophobicContact CB-CB 3.75Å; A214-E220 HydrophobicContact CB-CG 3.88Å; D216-E220 WeakPolarHBondContact O-CB 3.21Å; D216-E220 PolarHBondContact O-N 3.28Å; F217-E220 PolarHBondContact O-N 3.44Å; E220-T223 PolarHBondContact O-N 3.19Å; E220-A224 WeakPolarHBondContact O-CB 3.23Å; E220-A224 PolarHBondContact O-N 3.09Å; E220-L230 HydrophobicContact CG-CD1 4.03Å; E220-L230 WeakPolarHBondContact OE1-CD1 3.49Å; E220-L230 VanDerWaalsContact OE1-CD2 3.23Å; E220-L230 WeakPolarHBondContact OE1-CD2 3.45Å; E220-F249 HydrophobicContact CB-CD2 4.07Å; E220-F249 HydrophobicContact CB-CE1 4.43Å; E220-F249 HydrophobicContact CB-CE2 3.79Å; E220-F249 HydrophobicContact CB-CZ 3.99Å; E220-F249 HydrophobicContact CG-CD1 3.74Å; E220-F249 HydrophobicContact CG-CD2 3.92Å; E220-F249 HydrophobicContact CG-CE1 3.68Å; E220-F249 HydrophobicContact CG-CE2 3.87Å; E220-F249 HydrophobicContact CG-CG 3.86Å; E220-F249 HydrophobicContact CG-CZ 3.75Å
221M97.4Very high96.6Very high53 Ų5357.7 Ų57.726%0.26134%0.342SS..Hα-helixtrans-59.4-46171.9-78.2-58.9-66.800112.3F217 E218 Q219 T223 A224 A225 N246 F249 R250F217-M221 HydrophobicContact CD1-CG 4.3Å; F217-M221 HydrophobicContact CE1-CG 3.84Å; F217-M221 HydrophobicContact CE2-CG 4.15Å; F217-M221 HydrophobicContact CE2-SD 4.36Å; F217-M221 HydrophobicContact CZ-CG 3.76Å; F217-M221 HydrophobicContact CZ-SD 4.04Å; F217-M221 WeakPolarHBondContact O-CG 3.36Å; F217-M221 PolarHBondContact O-N 2.88Å; E218-M221 WeakPolarHBondContact O-CB 3.31Å; E218-M221 PolarHBondContact O-N 3.31Å; Q219-M221 VanDerWaalsContact C-N 3.35Å; M221-T223 VanDerWaalsContact C-N 3.32Å; M221-T223 PolarHBondContact O-N 3.13Å; M221-A224 PolarHBondContact O-N 2.96Å; M221-A225 PolarHBondContact O-N 2.84Å; M221-N246 HydrophobicContact SD-CB 4.27Å; M221-F249 HydrophobicContact CG-CE2 3.82Å; M221-F249 HydrophobicContact CG-CZ 4.29Å; M221-F249 HydrophobicContact SD-CE2 3.53Å; M221-F249 VanDerWaalsContact SD-CE2 3.53Å; M221-F249 HydrophobicContact SD-CZ 3.72Å; M221-R250 HydrophobicContact SD-CG 3.75Å
222A97.5Very high96.5Very high61 Ų6162.5 Ų62.550%0.50436%0.363SS..Hα-helixtrans-63.9-37.517700000112.4E218 Q219 A225 S226E218-A222 PolarHBondContact O-N 2.86Å; Q219-A222 PolarHBondContact O-N 2.72Å; A222-A225 PolarHBondContact O-N 2.77Å; A222-S226 PolarHBondContact O-N 3.14Å; A222-S226 PolarHBondContact O-OG 2.79Å
223T96.9Very high96.4Very high49 Ų4964.9 Ų64.930%0.30138%0.383SS..Hα-helixtrans-65.8-45.5175.6-56.40000110.9Q219 E220 M221 A225 S226 S227 L230Q219-T223 PolarHBondContact O-N 2.98Å; Q219-T223 PolarHBondContact O-OG1 2.75Å; E220-T223 PolarHBondContact O-N 3.19Å; M221-T223 VanDerWaalsContact C-N 3.32Å; M221-T223 PolarHBondContact O-N 3.13Å; T223-A225 VanDerWaalsContact C-N 3.27Å; T223-A225 PolarHBondContact O-N 3.4Å; T223-S226 PolarHBondContact O-N 3.14Å; T223-S226 VanDerWaalsContact O-N 3.14Å; T223-S226 PolarHBondContact O-OG 3.09Å; T223-S227 WeakPolarHBondContact O-CB 3.41Å; T223-S227 PolarHBondContact O-N 3.24Å; T223-L230 HydrophobicContact CG2-CD1 3.97Å; T223-L230 HydrophobicContact CG2-CG 4.37Å
224A95.7Very high96.2Very high21 Ų2166 Ų6617%0.17439%0.387CS..Hα-helixtrans-63.9-30.9177.500000113.2E220 M221 S226 L230 N246 F249E220-A224 WeakPolarHBondContact O-CB 3.23Å; E220-A224 PolarHBondContact O-N 3.09Å; M221-A224 PolarHBondContact O-N 2.96Å; A224-S226 VanDerWaalsContact C-N 3.3Å; A224-L230 HydrophobicContact CB-CD1 3.91Å; A224-N246 HydrophobicContact CB-CB 3.85Å; A224-F249 HydrophobicContact CB-CE1 4.03Å; A224-F249 HydrophobicContact CB-CZ 3.98Å
225A95.5Very high96.1Very high91 Ų9172.4 Ų72.475%0.75242%0.417SS*.Hα-helixtrans-73.6-22.2176.700000113.3M221 A222 T223M221-A225 PolarHBondContact O-N 2.84Å; A222-A225 PolarHBondContact O-N 2.77Å; T223-A225 VanDerWaalsContact C-N 3.27Å; T223-A225 PolarHBondContact O-N 3.4Å
226S94.9Very high95.8Very high100 Ų10069 Ų6970%0.69940%0.399SS*.Hα-helixtrans-110.9-11.7-174.555.20000114.1A222 T223 A224A222-S226 PolarHBondContact O-N 3.14Å; A222-S226 PolarHBondContact O-OG 2.79Å; T223-S226 PolarHBondContact O-N 3.14Å; T223-S226 VanDerWaalsContact O-N 3.14Å; T223-S226 PolarHBondContact O-OG 3.09Å; A224-S226 VanDerWaalsContact C-N 3.3Å
227S92.8Very high95.4Very high48 Ų4871.5 Ų71.534%0.33642%0.419SS..  trans-147.6139.8-173.9179.40000111.7T223 S229T223-S227 WeakPolarHBondContact O-CB 3.41Å; T223-S227 PolarHBondContact O-N 3.24Å; S227-S229 PolarHBondContact O-N 3.23Å; S227-S229 WeakPolarHBondContact OG-CB 3.37Å; S227-S229 PolarHBondContact OG-N 3.01Å; S227-S229 PolarHBondContact OG-OG 3.06Å
228S93Very high95.1Very high78 Ų7876.4 Ų76.455%0.54545%0.446SS..G310 helixtrans-82.64.2169.357.60000113.2L230 E231S228-L230 PolarHBondContact O-N 3.35Å; S228-E231 WeakPolarHBondContact CB-OE2 3.39Å; S228-E231 VanDerWaalsContact O-CB 3.3Å; S228-E231 WeakPolarHBondContact O-CB 3.4Å; S228-E231 PolarHBondContact O-N 2.92Å
229S93.4Very high94.9Very high80 Ų8072.2 Ų72.256%0.55944%0.437SS*.G310 helixtrans-59.6-22.1-178.757.50000114.1S227S227-S229 PolarHBondContact O-N 3.23Å; S227-S229 WeakPolarHBondContact OG-CB 3.37Å; S227-S229 PolarHBondContact OG-N 3.01Å; S227-S229 PolarHBondContact OG-OG 3.06Å
230L93.6Very high94.6Very high24 Ų2470.5 Ų70.513%0.12643%0.429CS..G310 helixtrans-91.1-8.6178.2-59.1177.9000112.9E220 T223 A224 S228 R248 F249E220-L230 HydrophobicContact CG-CD1 4.03Å; E220-L230 WeakPolarHBondContact OE1-CD1 3.49Å; E220-L230 VanDerWaalsContact OE1-CD2 3.23Å; E220-L230 WeakPolarHBondContact OE1-CD2 3.45Å; T223-L230 HydrophobicContact CG2-CD1 3.97Å; T223-L230 HydrophobicContact CG2-CG 4.37Å; A224-L230 HydrophobicContact CB-CD1 3.91Å; S228-L230 PolarHBondContact O-N 3.35Å; L230-R248 WeakPolarHBondContact O-CD 3.28Å; L230-R248 PolarHBondContact O-NH1 2.91Å; L230-F249 HydrophobicContact CD1-CE1 4.09Å
231E96.2Very high94.5Very high95 Ų9572.6 Ų72.644%0.44444%0.444SS..  trans-71.8144.7178.1-65.6177.9-179.400111.2S228 T243 I244S228-E231 WeakPolarHBondContact CB-OE2 3.39Å; S228-E231 VanDerWaalsContact O-CB 3.3Å; S228-E231 WeakPolarHBondContact O-CB 3.4Å; S228-E231 PolarHBondContact O-N 2.92Å; E231-T243 HydrophobicContact CB-CG2 3.71Å; E231-T243 HydrophobicContact CG-CG2 3.99Å; E231-I244 WeakPolarHBondContact CA-O 3.43Å
232K97Very high94.3Very high105 Ų10570.4 Ų70.446%0.45743%0.434SS..EExtended strand (participates in β ladder)trans-133.9138.4170.2-69-66.3177.6-171.70110.3L210 I244 R248L210-K232 HydrophobicContact CD1-CB 4.17Å; L210-K232 HydrophobicContact CD2-CB 4.13Å; K232-I244 PolarHBondContact N-O 2.8Å; K232-I244 PolarHBondContact O-N 3.01Å; K232-R248 VanDerWaalsContact CG-NH1 3.33Å
233S95.9Very high94.2Very high82 Ų8271.4 Ų71.457%0.57343%0.434SS*.EExtended strand (participates in β ladder)trans-80.5145.2171.9-56.30000110.8I242S233-I242 CarbonylContact C-O 3.59Å; S233-I242 VanDerWaalsContact CA-O 3.31Å; S233-I242 WeakPolarHBondContact CA-O 3.44Å
234Y95.9Very high94.2Very high27 Ų2769.2 Ų69.211%0.10642%0.42CS..EExtended strand (participates in β ladder)trans-132.2131.9173.9-176.2-86.7000108.9I202 D205 I206 K209 L210 L236 V241 I242I202-Y234 HydrophobicContact CG2-CE1 3.81Å; D205-Y234 VanDerWaalsContact OD2-CE2 3.26Å; D205-Y234 WeakPolarHBondContact OD2-CE2 3.49Å; D205-Y234 VanDerWaalsContact OD2-CZ 3.3Å; D205-Y234 PolarHBondContact OD2-OH 3.43Å; I206-Y234 HydrophobicContact CB-CD2 4.5Å; I206-Y234 HydrophobicContact CB-CE2 4.48Å; I206-Y234 HydrophobicContact CD1-CD1 4.04Å; I206-Y234 HydrophobicContact CD1-CE1 4.19Å; I206-Y234 HydrophobicContact CD1-CG 4.28Å; I206-Y234 HydrophobicContact CG1-CD1 3.79Å; I206-Y234 HydrophobicContact CG1-CD2 3.6Å; I206-Y234 HydrophobicContact CG1-CE1 3.82Å; I206-Y234 HydrophobicContact CG1-CE2 3.61Å; I206-Y234 HydrophobicContact CG1-CG 3.68Å; K209-Y234 HydrophobicContact CD-CE2 4.37Å; L210-Y234 HydrophobicContact CD1-CD2 4Å; L210-Y234 HydrophobicContact CD1-CG 4.41Å; Y234-L236 HydrophobicContact CD1-CD2 4.09Å; Y234-L236 HydrophobicContact CE1-CD2 4.06Å; Y234-V241 CarbonylContact O-C 3.47Å; Y234-V241 WeakPolarHBondContact O-CA 3.44Å; Y234-I242 HydrophobicContact CD1-CG1 4.4Å; Y234-I242 PolarHBondContact N-O 2.92Å; Y234-I242 PolarHBondContact O-N 3.27Å
235E95.6Very high94.2Very high137 Ų13768.8 Ų68.864%0.6442%0.418SS*.EExtended strand (participates in β ladder)trans-92.6118.1177.5-171.7177.7165.400109.9V241E235-V241 HydrophobicContact CB-CG2 4.45Å; E235-V241 HydrophobicContact CG-CG2 4.39Å
236L92.6Very high94.2Very high19 Ų1966.5 Ų66.510%0.09939%0.393CS..  trans-71.6158.6174.8-65.1178000110.7I202 Y234 D238 G239 Q240 I242I202-L236 HydrophobicContact CG2-CD2 3.59Å; Y234-L236 HydrophobicContact CD1-CD2 4.09Å; Y234-L236 HydrophobicContact CE1-CD2 4.06Å; L236-D238 VanDerWaalsContact CB-OD1 3.24Å; L236-D238 WeakPolarHBondContact CB-OD1 3.39Å; L236-D238 PolarHBondContact O-N 3.27Å; L236-G239 PolarHBondContact O-N 2.68Å; L236-Q240 HydrophobicContact CB-CB 4.41Å; L236-Q240 VanDerWaalsContact CB-O 3.29Å; L236-Q240 WeakPolarHBondContact CB-O 3.41Å; L236-Q240 HydrophobicContact CD1-CB 4.09Å; L236-Q240 HydrophobicContact CD1-CG 4.24Å; L236-Q240 WeakPolarHBondContact CG-O 3.26Å; L236-Q240 PolarHBondContact N-O 2.96Å; L236-I242 HydrophobicContact CD1-CG2 3.76Å; L236-I242 HydrophobicContact CD2-CD1 3.96Å; L236-I242 HydrophobicContact CD2-CG1 4.45Å; L236-I242 HydrophobicContact CG-CD1 4.35Å; L236-I242 HydrophobicContact CG-CG1 4.39Å; L236-I242 HydrophobicContact CG-CG2 4.23Å
237P90Very high94.3Very high112 Ų11263.4 Ų63.473%0.72737%0.367SS*.THydrogen-bonded Turntrans-58.8-19.3-179.8-26.735.9000115.6I202 G239I202-P237 HydrophobicContact CD1-CG 3.93Å; I202-P237 HydrophobicContact CG1-CG 4.26Å; P237-G239 VanDerWaalsContact C-N 3.34Å
238D90.8Very high94.6Very high121 Ų12162.5 Ų62.565%0.64736%0.357SS*.THydrogen-bonded Turntrans-88.91.5175.362.71.5000113.5L236 Q240L236-D238 VanDerWaalsContact CB-OD1 3.24Å; L236-D238 WeakPolarHBondContact CB-OD1 3.39Å; L236-D238 PolarHBondContact O-N 3.27Å; D238-Q240 VanDerWaalsContact OD1-CB 3.29Å; D238-Q240 WeakPolarHBondContact OD1-CB 3.31Å; D238-Q240 PolarHBondContact OD1-N 3.37Å
239G92.6Very high94.8Very high40 Ų4058.8 Ų58.841%0.41233%0.331SS..SBendtrans86.4-2.7-177.800000114.4L236 P237 V241L236-G239 PolarHBondContact O-N 2.68Å; P237-G239 VanDerWaalsContact C-N 3.34Å; G239-V241 PolarHBondContact O-N 2.84Å
240Q92.8Very high95Very high93 Ų9358.3 Ų58.344%0.43532%0.317SS..  trans-68.8129.1174.5178.7-179-6.300110L236 D238 I242L236-Q240 HydrophobicContact CB-CB 4.41Å; L236-Q240 VanDerWaalsContact CB-O 3.29Å; L236-Q240 WeakPolarHBondContact CB-O 3.41Å; L236-Q240 HydrophobicContact CD1-CB 4.09Å; L236-Q240 HydrophobicContact CD1-CG 4.24Å; L236-Q240 WeakPolarHBondContact CG-O 3.26Å; L236-Q240 PolarHBondContact N-O 2.96Å; D238-Q240 VanDerWaalsContact OD1-CB 3.29Å; D238-Q240 WeakPolarHBondContact OD1-CB 3.31Å; D238-Q240 PolarHBondContact OD1-N 3.37Å; Q240-I242 HydrophobicContact CG-CG2 4.33Å
241V94.1Very high95.2Very high88 Ų8857.1 Ų57.153%0.53331%0.311SS..EExtended strand (participates in β ladder)trans-95.2122.8175.6-178.50000109.7Y234 E235 G239Y234-V241 CarbonylContact O-C 3.47Å; Y234-V241 WeakPolarHBondContact O-CA 3.44Å; E235-V241 HydrophobicContact CB-CG2 4.45Å; E235-V241 HydrophobicContact CG-CG2 4.39Å; G239-V241 PolarHBondContact O-N 2.84Å
242I94.1Very high95.3Very high8 Ų852.6 Ų52.64%0.04129%0.29CS..EExtended strand (participates in β ladder)trans-109.6151.217563.5171.8000110.4E196 I206 S233 Y234 L236 Q240 I244E196-I242 HydrophobicContact CG-CG2 4.15Å; I206-I242 HydrophobicContact CD1-CD1 4Å; S233-I242 CarbonylContact C-O 3.59Å; S233-I242 VanDerWaalsContact CA-O 3.31Å; S233-I242 WeakPolarHBondContact CA-O 3.44Å; Y234-I242 HydrophobicContact CD1-CG1 4.4Å; Y234-I242 PolarHBondContact N-O 2.92Å; Y234-I242 PolarHBondContact O-N 3.27Å; L236-I242 HydrophobicContact CD1-CG2 3.76Å; L236-I242 HydrophobicContact CD2-CD1 3.96Å; L236-I242 HydrophobicContact CD2-CG1 4.45Å; L236-I242 HydrophobicContact CG-CD1 4.35Å; L236-I242 HydrophobicContact CG-CG1 4.39Å; L236-I242 HydrophobicContact CG-CG2 4.23Å; Q240-I242 HydrophobicContact CG-CG2 4.33Å; I242-I244 HydrophobicContact CD1-CD1 3.64Å; I242-I244 HydrophobicContact CG1-CD1 3.88Å
243T95Very high95.4Very high81 Ų8147.6 Ų47.650%0.49727%0.268SS..EExtended strand (participates in β ladder)trans-104126.8177.1-61.20000109.7E231E231-T243 HydrophobicContact CB-CG2 3.71Å; E231-T243 HydrophobicContact CG-CG2 3.99Å
244I96.2Very high95.5Very high3 Ų343.7 Ų43.72%0.01524%0.24CC..EExtended strand (participates in β ladder)trans-106.7120.5176.1-42.7-52.9000108.1L194 I206 L210 E231 K232 I242 E247 R248L194-I244 HydrophobicContact CD2-CD1 3.84Å; L194-I244 HydrophobicContact CD2-CG2 4.22Å; I206-I244 HydrophobicContact CD1-CD1 4.46Å; I206-I244 HydrophobicContact CG2-CD1 4.36Å; I206-I244 HydrophobicContact CG2-CG1 4Å; I206-I244 HydrophobicContact CG2-CG2 4.41Å; L210-I244 HydrophobicContact CD1-CB 4.37Å; L210-I244 HydrophobicContact CD1-CG1 3.9Å; E231-I244 WeakPolarHBondContact CA-O 3.43Å; K232-I244 PolarHBondContact N-O 2.8Å; K232-I244 PolarHBondContact O-N 3.01Å; I242-I244 HydrophobicContact CD1-CD1 3.64Å; I242-I244 HydrophobicContact CG1-CD1 3.88Å; I244-E247 HydrophobicContact CG2-CB 4.13Å; I244-R248 HydrophobicContact CB-CG 4.13Å; I244-R248 HydrophobicContact CG2-CG 3.62Å; I244-R248 WeakPolarHBondContact O-CD 3.3Å
245G95.9Very high95.7Very high13 Ų1342.5 Ų42.513%0.13424%0.236CC..  trans-102.5-119.4-174.700000112.3E247 R248G245-E247 VanDerWaalsContact CA-OE2 3.28Å; G245-E247 WeakPolarHBondContact CA-OE2 3.4Å; G245-E247 PolarHBondContact N-OE2 3.05Å; G245-E247 PolarHBondContact O-N 2.78Å; G245-R248 WeakPolarHBondContact O-CB 3.28Å; G245-R248 VanDerWaalsContact O-CG 3.22Å; G245-R248 WeakPolarHBondContact O-CG 3.32Å; G245-R248 PolarHBondContact O-N 3.39Å
246N96.6Very high95.8Very high43 Ų4336.2 Ų36.223%0.2321%0.206CC..THydrogen-bonded Turntrans-68.6-14.2-177.563.542000114M221 A224 R248 F249 R250M221-N246 HydrophobicContact SD-CB 4.27Å; A224-N246 HydrophobicContact CB-CB 3.85Å; N246-R248 PolarHBondContact O-N 3.39Å; N246-R248 VanDerWaalsContact O-N 3.12Å; N246-F249 HydrophobicContact CB-CE1 3.64Å; N246-F249 HydrophobicContact CB-CZ 3.61Å; N246-F249 PolarHBondContact O-N 3.11Å; N246-R250 HydrophobicContact CB-CG 4.49Å; N246-R250 WeakPolarHBondContact O-CB 3.41Å; N246-R250 VanDerWaalsContact O-CG 3.26Å; N246-R250 WeakPolarHBondContact O-CG 3.47Å; N246-R250 PolarHBondContact O-N 3.3Å; N246-R250 WeakPolarHBondContact OD1-CD 3.34Å; N246-R250 PolarHBondContact OD1-NH1 3.41Å
247E96.7Very high96.1Very high34 Ų3438.5 Ų38.516%0.15922%0.216CC..Hα-helixtrans-56.2-28.9172.8-56.582.5179.900111.5L190 I193 L194 I244 G245 F249 C251L190-E247 HydrophobicContact CD1-CB 3.79Å; I193-E247 HydrophobicContact CB-CG 4.41Å; I193-E247 HydrophobicContact CD1-CB 3.85Å; I193-E247 HydrophobicContact CD1-CG 4.02Å; I193-E247 HydrophobicContact CG1-CB 4.14Å; I193-E247 HydrophobicContact CG1-CG 3.92Å; L194-E247 HydrophobicContact CD2-CB 4.33Å; L194-E247 HydrophobicContact CD2-CG 4.18Å; I244-E247 HydrophobicContact CG2-CB 4.13Å; G245-E247 VanDerWaalsContact CA-OE2 3.28Å; G245-E247 WeakPolarHBondContact CA-OE2 3.4Å; G245-E247 PolarHBondContact N-OE2 3.05Å; G245-E247 PolarHBondContact O-N 2.78Å; E247-F249 VanDerWaalsContact C-N 3.3Å; E247-F249 PolarHBondContact O-N 2.79Å; E247-C251 VanDerWaalsContact O-CB 3.27Å; E247-C251 WeakPolarHBondContact O-CB 3.32Å; E247-C251 PolarHBondContact O-N 2.87Å
248R98Very high96.5Very high30 Ų3033.3 Ų33.311%0.11318%0.183CC..Hα-helixtrans-55.8-40178-65.2178.865.5-138.1-9.9113L210 C211 F212 L230 K232 I244 G245 N246 P252L210-R248 HydrophobicContact CB-CG 4.42Å; L210-R248 VanDerWaalsContact O-CZ 3.24Å; L210-R248 PolarHBondContact O-NE 2.99Å; L210-R248 PolarHBondContact O-NH2 2.96Å; C211-R248 CarbonylContact C-O 3.6Å; C211-R248 WeakPolarHBondContact CA-O 3.45Å; C211-R248 WeakPolarHBondContact CB-O 3.3Å; C211-R248 PolarHBondContact SG-O 2.84Å; F212-R248 HydrophobicContact CD1-CB 4.1Å; F212-R248 HydrophobicContact CE1-CB 3.86Å; F212-R248 PolarHBondContact N-O 3.44Å; L230-R248 WeakPolarHBondContact O-CD 3.28Å; L230-R248 PolarHBondContact O-NH1 2.91Å; K232-R248 VanDerWaalsContact CG-NH1 3.33Å; I244-R248 HydrophobicContact CB-CG 4.13Å; I244-R248 HydrophobicContact CG2-CG 3.62Å; I244-R248 WeakPolarHBondContact O-CD 3.3Å; G245-R248 WeakPolarHBondContact O-CB 3.28Å; G245-R248 VanDerWaalsContact O-CG 3.22Å; G245-R248 WeakPolarHBondContact O-CG 3.32Å; G245-R248 PolarHBondContact O-N 3.39Å; N246-R248 PolarHBondContact O-N 3.39Å; N246-R248 VanDerWaalsContact O-N 3.12Å; R248-P252 WeakPolarHBondContact O-CD 3.33Å
249F98.2Very high96.8Very high0 Ų031.3 Ų31.30%018%0.178CC..Hα-helixtrans-108.7-21.8179.364.3-93.2000113.7F212 A214 F217 E220 M221 A224 L230 N246 E247 P252 E253F212-F249 HydrophobicContact CD2-CB 4.33Å; F212-F249 HydrophobicContact CE1-CB 4.15Å; F212-F249 HydrophobicContact CE1-CD1 4.21Å; F212-F249 HydrophobicContact CE2-CB 3.94Å; F212-F249 HydrophobicContact CZ-CB 3.85Å; F212-F249 AromaticContact CZ-CD1 3.78Å; F212-F249 HydrophobicContact CZ-CD1 3.78Å; F212-F249 HydrophobicContact CZ-CG 4.19Å; F212-F249 VanDerWaalsContact O-CA 3.23Å; F212-F249 WeakPolarHBondContact O-CA 3.46Å; F212-F249 WeakPolarHBondContact O-CB 3.5Å; A214-F249 HydrophobicContact CB-CB 4.22Å; A214-F249 HydrophobicContact CB-CD2 4.23Å; A214-F249 HydrophobicContact CB-CG 4.43Å; F217-F249 AromaticContact CD2-CD2 3.98Å; F217-F249 HydrophobicContact CD2-CD2 3.98Å; F217-F249 HydrophobicContact CD2-CE2 4.22Å; F217-F249 AromaticContact CE2-CD2 3.94Å; F217-F249 HydrophobicContact CE2-CD2 3.94Å; F217-F249 HydrophobicContact CE2-CE2 4.02Å; E220-F249 HydrophobicContact CB-CD2 4.07Å; E220-F249 HydrophobicContact CB-CE1 4.43Å; E220-F249 HydrophobicContact CB-CE2 3.79Å; E220-F249 HydrophobicContact CB-CZ 3.99Å; E220-F249 HydrophobicContact CG-CD1 3.74Å; E220-F249 HydrophobicContact CG-CD2 3.92Å; E220-F249 HydrophobicContact CG-CE1 3.68Å; E220-F249 HydrophobicContact CG-CE2 3.87Å; E220-F249 HydrophobicContact CG-CG 3.86Å; E220-F249 HydrophobicContact CG-CZ 3.75Å; M221-F249 HydrophobicContact CG-CE2 3.82Å; M221-F249 HydrophobicContact CG-CZ 4.29Å; M221-F249 HydrophobicContact SD-CE2 3.53Å; M221-F249 VanDerWaalsContact SD-CE2 3.53Å; M221-F249 HydrophobicContact SD-CZ 3.72Å; A224-F249 HydrophobicContact CB-CE1 4.03Å; A224-F249 HydrophobicContact CB-CZ 3.98Å; L230-F249 HydrophobicContact CD1-CE1 4.09Å; N246-F249 HydrophobicContact CB-CE1 3.64Å; N246-F249 HydrophobicContact CB-CZ 3.61Å; N246-F249 PolarHBondContact O-N 3.11Å; E247-F249 VanDerWaalsContact C-N 3.3Å; E247-F249 PolarHBondContact O-N 2.79Å; F249-P252 WeakPolarHBondContact O-CD 3.47Å; F249-E253 PolarHBondContact O-N 3.46Å
250R97.7Very high96.8Very high69 Ų6932.5 Ų32.526%0.2617%0.172SC..Hα-helixtrans-65.5-36.8171.5-71.7171.967.6-157.3-3.2113.3Y189 I193 F217 M221 N246 E253Y189-R250 WeakPolarHBondContact CE1-O 3.41Å; I193-R250 HydrophobicContact CD1-CB 4.28Å; F217-R250 HydrophobicContact CE2-CB 4.44Å; F217-R250 HydrophobicContact CE2-CG 3.82Å; F217-R250 HydrophobicContact CZ-CG 3.98Å; M221-R250 HydrophobicContact SD-CG 3.75Å; N246-R250 HydrophobicContact CB-CG 4.49Å; N246-R250 WeakPolarHBondContact O-CB 3.41Å; N246-R250 VanDerWaalsContact O-CG 3.26Å; N246-R250 WeakPolarHBondContact O-CG 3.47Å; N246-R250 PolarHBondContact O-N 3.3Å; N246-R250 WeakPolarHBondContact OD1-CD 3.34Å; N246-R250 PolarHBondContact OD1-NH1 3.41Å; R250-E253 WeakPolarHBondContact O-CB 3.07Å; R250-E253 PolarHBondContact O-N 3.19Å
251C98.3Very high97Very high0 Ų030.2 Ų30.20%016%0.163CC..Hα-helixtrans-58.5-61.8177.91690000111.8L186 L190 I193 E247 E253 A254L186-C251 WeakPolarHBondContact CD2-O 3.39Å; L186-C251 PolarHBondContact O-SG 2.95Å; L190-C251 HydrophobicContact CB-CB 4.27Å; L190-C251 HydrophobicContact CD1-CB 3.99Å; I193-C251 HydrophobicContact CD1-CB 4.31Å; E247-C251 VanDerWaalsContact O-CB 3.27Å; E247-C251 WeakPolarHBondContact O-CB 3.32Å; E247-C251 PolarHBondContact O-N 2.87Å; C251-E253 PolarHBondContact O-N 2.86Å; C251-A254 WeakPolarHBondContact O-CB 3.43Å; C251-A254 PolarHBondContact O-N 2.79Å
252P98.5Very high97Very high0 Ų029.2 Ų29.20%017%0.171CC..Hα-helixtrans-70.2-15.7-17829.7-37.2000113.8C211 F212 V213 R248 F249 A254 L255 F300C211-P252 HydrophobicContact CB-CG 4.36Å; F212-P252 WeakPolarHBondContact O-CG 3.34Å; V213-P252 HydrophobicContact CG2-CB 3.86Å; V213-P252 HydrophobicContact CG2-CG 4.23Å; R248-P252 WeakPolarHBondContact O-CD 3.33Å; F249-P252 WeakPolarHBondContact O-CD 3.47Å; P252-A254 PolarHBondContact O-N 3.17Å; P252-A254 VanDerWaalsContact O-N 3.17Å; P252-L255 WeakPolarHBondContact O-CB 3.26Å; P252-L255 PolarHBondContact O-N 3.14Å; P252-F300 HydrophobicContact CB-CD1 4.26Å; P252-F300 HydrophobicContact CB-CD2 3.84Å; P252-F300 HydrophobicContact CB-CE1 4.29Å; P252-F300 HydrophobicContact CB-CE2 3.89Å; P252-F300 HydrophobicContact CB-CG 4.06Å; P252-F300 HydrophobicContact CB-CZ 4.11Å
253E98.6Very high97.1Very high0 Ų031.2 Ų31.20%018%0.18CC..Hα-helixtrans-56.5-28.6171.1-172.362.2-157.100111.9F217 F249 R250 C251 L255 F256 Q257 F260 R306F217-E253 HydrophobicContact CB-CG 4.47Å; F217-E253 HydrophobicContact CD1-CG 4.43Å; F217-E253 HydrophobicContact CD2-CB 3.83Å; F217-E253 HydrophobicContact CD2-CG 3.46Å; F217-E253 VanDerWaalsContact CD2-CG 3.46Å; F217-E253 HydrophobicContact CE2-CB 3.84Å; F217-E253 HydrophobicContact CE2-CG 3.72Å; F217-E253 HydrophobicContact CG-CG 3.86Å; F217-E253 HydrophobicContact CZ-CG 4.3Å; F249-E253 PolarHBondContact O-N 3.46Å; R250-E253 WeakPolarHBondContact O-CB 3.07Å; R250-E253 PolarHBondContact O-N 3.19Å; C251-E253 PolarHBondContact O-N 2.86Å; E253-L255 PolarHBondContact O-N 2.92Å; E253-L255 VanDerWaalsContact O-N 3.09Å; E253-F256 CarbonylContact O-C 3.55Å; E253-F256 WeakPolarHBondContact O-CA 3.43Å; E253-F256 PolarHBondContact O-N 2.9Å; E253-Q257 HydrophobicContact CG-CG 4.39Å; E253-Q257 PolarHBondContact O-N 3.43Å; E253-F260 HydrophobicContact CB-CD2 4.32Å; E253-F260 HydrophobicContact CB-CE2 3.97Å; E253-F260 HydrophobicContact CG-CD2 4.26Å; E253-F260 HydrophobicContact CG-CE2 3.62Å; E253-F260 HydrophobicContact CG-CZ 4.31Å; E253-R306 IonicContact OE1-CZ 3.57Å; E253-R306 IonicContact OE1-NH1 3.67Å; E253-R306 PolarHBondContact OE1-NH1 3.12Å; E253-R306 IonicContact OE1-NH2 3.31Å; E253-R306 PolarHBondContact OE1-NH2 2.93Å; E253-R306 IonicContact OE2-CZ 3.72Å; E253-R306 IonicContact OE2-NH1 2.77Å; E253-R306 PolarHBondContact OE2-NH1 3.39Å; E253-R306 IonicContact OE2-NH2 3.85Å
254A98.2Very high97.1Very high0 Ų036.9 Ų36.90%020%0.201CC..THydrogen-bonded Turntrans-57.9-26176.400000113.2L181 L186 Y189 C251 P252 F256 Q257 P258 F260 L261L181-A254 VanDerWaalsContact CD2-O 3.24Å; L181-A254 WeakPolarHBondContact CD2-O 3.22Å; L186-A254 HydrophobicContact CD2-CB 3.82Å; Y189-A254 HydrophobicContact CD1-CB 4.09Å; Y189-A254 HydrophobicContact CE1-CB 4.19Å; C251-A254 WeakPolarHBondContact O-CB 3.43Å; C251-A254 PolarHBondContact O-N 2.79Å; P252-A254 PolarHBondContact O-N 3.17Å; P252-A254 VanDerWaalsContact O-N 3.17Å; A254-F256 PolarHBondContact O-N 2.82Å; A254-Q257 CarbonylContact O-C 3.51Å; A254-Q257 PolarHBondContact O-N 3.41Å; A254-P258 WeakPolarHBondContact O-CA 3.28Å; A254-P258 VanDerWaalsContact O-N 3.11Å; A254-F260 HydrophobicContact CB-CB 4.32Å; A254-L261 HydrophobicContact CB-CD1 3.85Å; A254-L261 HydrophobicContact CB-CG 4.16Å
255L98.6Very high97.1Very high1 Ų139.8 Ų39.81%0.00522%0.222CC..THydrogen-bonded Turntrans-63.6-30.6171.7-67.4174.6000112.5L181 L186 P252 E253 G267 V268 F300 I303L181-L255 HydrophobicContact CG-CD2 4.26Å; L186-L255 HydrophobicContact CD1-CD1 3.98Å; L186-L255 HydrophobicContact CD1-CD2 4.08Å; L186-L255 HydrophobicContact CD1-CG 3.88Å; L186-L255 HydrophobicContact CD2-CG 4.33Å; P252-L255 WeakPolarHBondContact O-CB 3.26Å; P252-L255 PolarHBondContact O-N 3.14Å; E253-L255 PolarHBondContact O-N 2.92Å; E253-L255 VanDerWaalsContact O-N 3.09Å; L255-G267 CarbonylContact O-C 3.55Å; L255-G267 WeakPolarHBondContact O-CA 3.17Å; L255-V268 HydrophobicContact CB-CG1 4.29Å; L255-V268 HydrophobicContact CB-CG2 4.22Å; L255-V268 HydrophobicContact CD2-CG1 4.38Å; L255-V268 PolarHBondContact O-N 2.81Å; L255-F300 HydrophobicContact CD1-CD2 4.31Å; L255-F300 HydrophobicContact CD1-CE2 4.23Å; L255-I303 HydrophobicContact CD1-CD1 4.33Å
256F98.7Very high97.2Very high6 Ų641.5 Ų41.53%0.02623%0.231CC..THydrogen-bonded Turntrans-93.8-30.3177.9-63.2-95000111.3V213 E253 A254 G267 V268 H269 I303 R306 M307 E310V213-F256 HydrophobicContact CG1-CD2 4.39Å; V213-F256 HydrophobicContact CG1-CE2 3.67Å; V213-F256 HydrophobicContact CG1-CZ 4.11Å; V213-F256 HydrophobicContact CG2-CE2 4.09Å; E253-F256 CarbonylContact O-C 3.55Å; E253-F256 WeakPolarHBondContact O-CA 3.43Å; E253-F256 PolarHBondContact O-N 2.9Å; A254-F256 PolarHBondContact O-N 2.82Å; F256-G267 WeakPolarHBondContact O-CA 3.32Å; F256-V268 HydrophobicContact CD1-CG2 4.46Å; F256-V268 HydrophobicContact CE1-CG2 4.2Å; F256-V268 HydrophobicContact CZ-CG2 4.25Å; F256-H269 HydrophobicContact CD1-CB 4.22Å; F256-H269 AromaticContact CD1-CG 3.91Å; F256-H269 AromaticContact CD1-ND1 3.34Å; F256-H269 VanDerWaalsContact CD1-ND1 3.34Å; F256-H269 WeakPolarHBondContact CD1-ND1 3.41Å; F256-H269 HydrophobicContact CE1-CB 4.24Å; F256-H269 PolarHBondContact O-CE1 3.41Å; F256-H269 VanDerWaalsContact O-CE1 3.29Å; F256-I303 HydrophobicContact CE2-CG1 4.25Å; F256-I303 HydrophobicContact CZ-CG1 3.98Å; F256-R306 HydrophobicContact CD1-CG 3.93Å; F256-R306 HydrophobicContact CE1-CB 4.26Å; F256-R306 HydrophobicContact CE1-CG 3.44Å; F256-R306 VanDerWaalsContact CE1-CG 3.44Å; F256-R306 HydrophobicContact CE2-CG 4.09Å; F256-R306 HydrophobicContact CG-CG 4.47Å; F256-R306 HydrophobicContact CZ-CB 4.01Å; F256-R306 HydrophobicContact CZ-CG 3.53Å; F256-M307 HydrophobicContact CE1-CG 4.29Å; F256-M307 HydrophobicContact CE1-SD 3.79Å; F256-M307 HydrophobicContact CZ-CG 4.21Å; F256-M307 HydrophobicContact CZ-SD 4.13Å; F256-E310 HydrophobicContact CD1-CG 4.33Å; F256-E310 HydrophobicContact CE1-CG 4.46Å
257Q98Very high97.2Very high66 Ų6639.5 Ų39.531%0.30822%0.22SC..  trans-128.278.4178.9-60-1720.200111.1E253 A254 S259 F260E253-Q257 HydrophobicContact CG-CG 4.39Å; E253-Q257 PolarHBondContact O-N 3.43Å; A254-Q257 CarbonylContact O-C 3.51Å; A254-Q257 PolarHBondContact O-N 3.41Å; Q257-S259 PolarHBondContact O-N 2.88Å; Q257-F260 HydrophobicContact CB-CD1 4.38Å; Q257-F260 HydrophobicContact CB-CE1 4.42Å; Q257-F260 WeakPolarHBondContact O-CB 3.32Å; Q257-F260 PolarHBondContact O-N 2.92Å
258P98.2Very high97.3Very high4 Ų438 Ų383%0.02621%0.214CC..G310 helixtrans-58.1-18.8-179.5-27.537.1000114.3L181 A254 F260 L261 M263 S265L181-P258 HydrophobicContact CD2-CB 3.88Å; L181-P258 HydrophobicContact CD2-CG 3.84Å; A254-P258 WeakPolarHBondContact O-CA 3.28Å; A254-P258 VanDerWaalsContact O-N 3.11Å; P258-F260 PolarHBondContact O-N 2.87Å; P258-L261 WeakPolarHBondContact O-CA 3.27Å; P258-L261 WeakPolarHBondContact O-CB 3.38Å; P258-L261 PolarHBondContact O-N 3.45Å; P258-M263 CarbonylContact C-O 3.22Å; P258-M263 HydrophobicContact CB-CB 3.79Å; P258-M263 HydrophobicContact CB-SD 4.41Å; P258-M263 WeakPolarHBondContact O-CB 3.46Å; P258-M263 PolarHBondContact O-N 3.44Å; P258-M263 VanDerWaalsContact O-N 3.14Å; P258-S265 WeakPolarHBondContact CG-O 3.45Å
259S97.1Very high97.4Very high79 Ų7937.3 Ų37.355%0.55221%0.212SC*.G310 helixtrans-58.1-24.7173.260.20000113.6Q257 L261 G262 M263Q257-S259 PolarHBondContact O-N 2.88Å; S259-L261 PolarHBondContact O-N 3.42Å; S259-G262 PolarHBondContact O-N 3.12Å; S259-M263 PolarHBondContact N-O 3.32Å
260F94Very high97.4Very high65 Ų6540.8 Ų40.829%0.28523%0.228SC..G310 helixtrans-61.7-23.2172.1-766.4000112.9Y189 F217 E253 A254 Q257 P258Y189-F260 HydrophobicContact CE1-CB 4.39Å; F217-F260 HydrophobicContact CE1-CE2 4.15Å; F217-F260 AromaticContact CE1-CZ 3.8Å; F217-F260 HydrophobicContact CE1-CZ 3.8Å; F217-F260 HydrophobicContact CE2-CE2 4.19Å; F217-F260 AromaticContact CZ-CE2 3.7Å; F217-F260 HydrophobicContact CZ-CE2 3.7Å; F217-F260 AromaticContact CZ-CZ 3.82Å; F217-F260 HydrophobicContact CZ-CZ 3.82Å; E253-F260 HydrophobicContact CB-CD2 4.32Å; E253-F260 HydrophobicContact CB-CE2 3.97Å; E253-F260 HydrophobicContact CG-CD2 4.26Å; E253-F260 HydrophobicContact CG-CE2 3.62Å; E253-F260 HydrophobicContact CG-CZ 4.31Å; A254-F260 HydrophobicContact CB-CB 4.32Å; Q257-F260 HydrophobicContact CB-CD1 4.38Å; Q257-F260 HydrophobicContact CB-CE1 4.42Å; Q257-F260 WeakPolarHBondContact O-CB 3.32Å; Q257-F260 PolarHBondContact O-N 2.92Å; P258-F260 PolarHBondContact O-N 2.87Å
261L95.6Very high97.4Very high44 Ų4438.1 Ų38.123%0.2322%0.22CC..G310 helixtrans-98.93.6174.3-75.3168.7000112.9L181 D185 Y189 A254 P258 S259 M263L181-L261 HydrophobicContact CD1-CD1 3.26Å; L181-L261 HydrophobicContact CD2-CD1 4.4Å; L181-L261 HydrophobicContact CG-CD1 4.46Å; D185-L261 HydrophobicContact CB-CD1 4.23Å; Y189-L261 HydrophobicContact CD1-CD2 4.49Å; Y189-L261 HydrophobicContact CD2-CD2 3.88Å; Y189-L261 HydrophobicContact CG-CD2 3.72Å; Y189-L261 HydrophobicContact CG-CG 4.37Å; A254-L261 HydrophobicContact CB-CD1 3.85Å; A254-L261 HydrophobicContact CB-CG 4.16Å; P258-L261 WeakPolarHBondContact O-CA 3.27Å; P258-L261 WeakPolarHBondContact O-CB 3.38Å; P258-L261 PolarHBondContact O-N 3.45Å; S259-L261 PolarHBondContact O-N 3.42Å; L261-M263 VanDerWaalsContact C-N 3.31Å; L261-M263 HydrophobicContact CB-CG 4.07Å; L261-M263 HydrophobicContact CB-SD 4.22Å; L261-M263 HydrophobicContact CD1-SD 4.47Å
262G95.5Very high97.4Very high68 Ų6838.1 Ų38.170%0.70122%0.22SC*.THydrogen-bonded Turntrans74.819.2-173.300000113.6S259S259-G262 PolarHBondContact O-N 3.12Å
263M96.1Very high97.4Very high49 Ų4940.8 Ų40.824%0.24123%0.23CC..  trans-91.7129.8178.8-58.217670.700111L179 D180 L181 P258 S259 L261 S265L179-M263 HydrophobicContact CD1-CE 4.43Å; D180-M263 WeakPolarHBondContact O-CE 3.37Å; L181-M263 HydrophobicContact CB-CE 4.02Å; L181-M263 HydrophobicContact CB-SD 4.06Å; L181-M263 HydrophobicContact CD1-SD 4.25Å; L181-M263 HydrophobicContact CD2-SD 4.17Å; L181-M263 HydrophobicContact CG-SD 4.38Å; P258-M263 CarbonylContact C-O 3.22Å; P258-M263 HydrophobicContact CB-CB 3.79Å; P258-M263 HydrophobicContact CB-SD 4.41Å; P258-M263 WeakPolarHBondContact O-CB 3.46Å; P258-M263 PolarHBondContact O-N 3.44Å; P258-M263 VanDerWaalsContact O-N 3.14Å; S259-M263 PolarHBondContact N-O 3.32Å; L261-M263 VanDerWaalsContact C-N 3.31Å; L261-M263 HydrophobicContact CB-CG 4.07Å; L261-M263 HydrophobicContact CB-SD 4.22Å; L261-M263 HydrophobicContact CD1-SD 4.47Å; M263-S265 VanDerWaalsContact C-N 3.31Å; M263-S265 PolarHBondContact O-N 3.49Å; M263-S265 VanDerWaalsContact O-N 3.16Å
264E94.8Very high97.4Very high201 Ų20143.6 Ų43.694%0.93925%0.245SC*.  trans-86.571.9171-64.3-175.2172.700109.5
265S95.6Very high97.5Very high63 Ų6343.6 Ų43.644%0.44125%0.245SC..SBendtrans-147.3154.1-178.7-63.20000111.3P258 M263P258-S265 WeakPolarHBondContact CG-O 3.45Å; M263-S265 VanDerWaalsContact C-N 3.31Å; M263-S265 PolarHBondContact O-N 3.49Å; M263-S265 VanDerWaalsContact O-N 3.16Å
266C97.5Very high97.5Very high49 Ų4943.6 Ų43.633%0.33125%0.245SC..  trans-67148.3173.8-68.60000111.2E270 T271C266-E270 HydrophobicContact CB-CB 3.78Å; C266-E270 WeakPolarHBondContact CB-OE2 3.34Å; C266-E270 PolarHBondContact SG-OE2 3.46Å; C266-T271 PolarHBondContact O-OG1 3.31Å
267G98.4Very high97.4Very high1 Ų145.5 Ų45.51%0.0125%0.254CS..  trans-65.6170.4169.300000112.7L255 F256 H269 E270 T271L255-G267 CarbonylContact O-C 3.55Å; L255-G267 WeakPolarHBondContact O-CA 3.17Å; F256-G267 WeakPolarHBondContact O-CA 3.32Å; G267-H269 VanDerWaalsContact C-N 3.27Å; G267-H269 PolarHBondContact O-N 2.78Å; G267-E270 PolarHBondContact O-N 3.2Å; G267-T271 VanDerWaalsContact O-CB 3.3Å; G267-T271 WeakPolarHBondContact O-CB 3.49Å; G267-T271 PolarHBondContact O-N 3.32Å; G267-T271 PolarHBondContact O-OG1 2.69Å
268V98.6Very high97.4Very high4 Ų447.5 Ų47.52%0.02426%0.262CS..Hα-helixtrans-61.5-31.9-178.2-660000113.6L154 L179 L255 F256 T272 M307L154-V268 HydrophobicContact CD1-CB 4.04Å; L154-V268 HydrophobicContact CD1-CG1 4.22Å; L154-V268 HydrophobicContact CD2-CB 3.94Å; L154-V268 HydrophobicContact CD2-CG2 4.13Å; L179-V268 HydrophobicContact CD2-CG1 4.18Å; L255-V268 HydrophobicContact CB-CG1 4.29Å; L255-V268 HydrophobicContact CB-CG2 4.22Å; L255-V268 HydrophobicContact CD2-CG1 4.38Å; L255-V268 PolarHBondContact O-N 2.81Å; F256-V268 HydrophobicContact CD1-CG2 4.46Å; F256-V268 HydrophobicContact CE1-CG2 4.2Å; F256-V268 HydrophobicContact CZ-CG2 4.25Å; V268-T272 WeakPolarHBondContact O-CB 3.48Å; V268-T272 PolarHBondContact O-N 2.88Å; V268-T272 PolarHBondContact O-OG1 3.32Å; V268-M307 HydrophobicContact CG2-SD 3.9Å
269H98.6Very high97.4Very high14 Ų1447.4 Ų47.47%0.06526%0.262CS..Hα-helixtrans-68.6-51.1177.361.6-69.8000112.1F256 G267 T271 T272 Y273 M307 E310F256-H269 HydrophobicContact CD1-CB 4.22Å; F256-H269 AromaticContact CD1-CG 3.91Å; F256-H269 AromaticContact CD1-ND1 3.34Å; F256-H269 VanDerWaalsContact CD1-ND1 3.34Å; F256-H269 WeakPolarHBondContact CD1-ND1 3.41Å; F256-H269 HydrophobicContact CE1-CB 4.24Å; F256-H269 PolarHBondContact O-CE1 3.41Å; F256-H269 VanDerWaalsContact O-CE1 3.29Å; G267-H269 VanDerWaalsContact C-N 3.27Å; G267-H269 PolarHBondContact O-N 2.78Å; H269-T271 VanDerWaalsContact C-N 3.35Å; H269-T272 PolarHBondContact O-N 3.43Å; H269-Y273 PolarHBondContact O-N 3.37Å; H269-M307 HydrophobicContact CB-CE 4.45Å; H269-M307 HydrophobicContact CB-SD 3.86Å; H269-E310 HydrophobicContact CB-CB 3.66Å; H269-E310 HydrophobicContact CB-CG 4.26Å
270E98.4Very high97.5Very high73 Ų7349.2 Ų49.234%0.34127%0.265SS..Hα-helixtrans-62.8-40.7173.3-81.4178.6-158.100111.8C266 G267 T272 Y273 N274 L314C266-E270 HydrophobicContact CB-CB 3.78Å; C266-E270 WeakPolarHBondContact CB-OE2 3.34Å; C266-E270 PolarHBondContact SG-OE2 3.46Å; G267-E270 PolarHBondContact O-N 3.2Å; E270-T272 VanDerWaalsContact C-N 3.31Å; E270-T272 PolarHBondContact O-N 3.17Å; E270-Y273 PolarHBondContact O-N 3.41Å; E270-N274 VanDerWaalsContact O-CB 3.28Å; E270-N274 WeakPolarHBondContact O-CB 3.24Å; E270-N274 PolarHBondContact O-N 2.68Å; E270-N274 PolarHBondContact O-ND2 3.01Å; E270-N274 VanDerWaalsContact O-ND2 3.16Å; E270-L314 HydrophobicContact CG-CD1 3.95Å
271T98.6Very high97.6Very high14 Ų1450.8 Ų50.89%0.08628%0.28CS..Hα-helixtrans-60.3-43.1175.6-57.80000110.5T163 L177 C266 G267 H269 N274 S275T163-T271 HydrophobicContact CG2-CG2 3.85Å; L177-T271 HydrophobicContact CB-CG2 3.63Å; L177-T271 HydrophobicContact CD1-CG2 4.01Å; L177-T271 WeakPolarHBondContact CD1-O 3.35Å; L177-T271 HydrophobicContact CG-CG2 4.48Å; C266-T271 PolarHBondContact O-OG1 3.31Å; G267-T271 VanDerWaalsContact O-CB 3.3Å; G267-T271 WeakPolarHBondContact O-CB 3.49Å; G267-T271 PolarHBondContact O-N 3.32Å; G267-T271 PolarHBondContact O-OG1 2.69Å; H269-T271 VanDerWaalsContact C-N 3.35Å; T271-N274 PolarHBondContact O-N 3.02Å; T271-S275 WeakPolarHBondContact O-CB 3.39Å; T271-S275 PolarHBondContact O-N 2.97Å
272T98.8Very high97.6Very high0 Ų055.5 Ų55.50%031%0.305CS..Hα-helixtrans-64.2-46.4177-57.70000110.8I152 T163 V268 H269 E270 N274 S275 I276 T291 I311I152-T272 HydrophobicContact CD1-CG2 3.91Å; I152-T272 HydrophobicContact CG1-CG2 4.44Å; I152-T272 HydrophobicContact CG2-CG2 4.26Å; T163-T272 VanDerWaalsContact CG2-OG1 3.32Å; T163-T272 WeakPolarHBondContact CG2-OG1 3.47Å; V268-T272 WeakPolarHBondContact O-CB 3.48Å; V268-T272 PolarHBondContact O-N 2.88Å; V268-T272 PolarHBondContact O-OG1 3.32Å; H269-T272 PolarHBondContact O-N 3.43Å; E270-T272 VanDerWaalsContact C-N 3.31Å; E270-T272 PolarHBondContact O-N 3.17Å; T272-N274 PolarHBondContact O-N 3.39Å; T272-S275 WeakPolarHBondContact O-CB 3.39Å; T272-S275 PolarHBondContact O-N 2.97Å; T272-I276 HydrophobicContact CG2-CD1 4.49Å; T272-I276 WeakPolarHBondContact O-CG1 3.36Å; T272-I276 PolarHBondContact O-N 3.45Å; T272-I276 VanDerWaalsContact O-N 3.11Å; T272-T291 HydrophobicContact CG2-CG2 4.19Å; T272-I311 HydrophobicContact CG2-CD1 3.79Å
273Y98.5Very high97.7Very high56 Ų5653.2 Ų53.222%0.2228%0.277CS..Hα-helixtrans-57.9-47.6174.6168.4-96.2000112.5H269 E270 S275 I276 M277 Y288 L314H269-Y273 PolarHBondContact O-N 3.37Å; E270-Y273 PolarHBondContact O-N 3.41Å; Y273-S275 VanDerWaalsContact C-N 3.29Å; Y273-S275 PolarHBondContact O-N 2.93Å; Y273-I276 PolarHBondContact O-N 2.87Å; Y273-I276 VanDerWaalsContact O-N 3.15Å; Y273-M277 HydrophobicContact CD1-CG 4.15Å; Y273-M277 HydrophobicContact CD2-CE 4.36Å; Y273-M277 HydrophobicContact CD2-CG 4.34Å; Y273-M277 HydrophobicContact CE1-CG 3.64Å; Y273-M277 HydrophobicContact CE2-CE 3.73Å; Y273-M277 HydrophobicContact CE2-CG 3.88Å; Y273-M277 HydrophobicContact CE2-SD 4.27Å; Y273-M277 HydrophobicContact CG-CG 4.48Å; Y273-M277 VanDerWaalsContact CZ-CG 3.5Å; Y273-M277 WeakPolarHBondContact O-CG 3.44Å; Y273-M277 PolarHBondContact O-N 3.15Å; Y273-Y288 VanDerWaalsContact CD2-OH 3.28Å; Y273-Y288 WeakPolarHBondContact CD2-OH 3.4Å; Y273-Y288 WeakPolarHBondContact CE2-OH 3.39Å; Y273-L314 HydrophobicContact CD1-CB 4.5Å; Y273-L314 HydrophobicContact CD2-CB 3.66Å; Y273-L314 HydrophobicContact CE2-CB 4.01Å; Y273-L314 WeakPolarHBondContact CE2-O 3.5Å; Y273-L314 HydrophobicContact CG-CB 3.92Å; Y273-L314 HydrophobicContact CG-CD1 4.15Å
274N98.6Very high97.8Very high59 Ų5953.4 Ų53.432%0.31628%0.275SS..Hα-helixtrans-62.4-37.4179.8-73.2-27.5000111.7L177 E270 T271 T272 M277 K278L177-N274 HydrophobicContact CD1-CB 3.68Å; E270-N274 VanDerWaalsContact O-CB 3.28Å; E270-N274 WeakPolarHBondContact O-CB 3.24Å; E270-N274 PolarHBondContact O-N 2.68Å; E270-N274 PolarHBondContact O-ND2 3.01Å; E270-N274 VanDerWaalsContact O-ND2 3.16Å; T271-N274 PolarHBondContact O-N 3.02Å; T272-N274 PolarHBondContact O-N 3.39Å; N274-M277 PolarHBondContact O-N 2.78Å; N274-K278 WeakPolarHBondContact O-CG 3.44Å; N274-K278 PolarHBondContact O-N 3.42Å
275S98.6Very high97.9Very high0 Ų050.5 Ų50.50%026%0.259CS..Hα-helixtrans-62.9-43.8173.9178.30000111.8I152 T163 P165 A175 T271 T272 Y273 M277 K278 C279I152-S275 WeakPolarHBondContact CD1-OG 3.33Å; T163-S275 VanDerWaalsContact OG1-CB 3.29Å; T163-S275 WeakPolarHBondContact OG1-CB 3.3Å; P165-S275 VanDerWaalsContact CD-OG 3.31Å; P165-S275 WeakPolarHBondContact CD-OG 3.47Å; P165-S275 WeakPolarHBondContact CG-OG 3.34Å; A175-S275 WeakPolarHBondContact O-CB 3.43Å; A175-S275 PolarHBondContact O-OG 2.82Å; T271-S275 WeakPolarHBondContact O-CB 3.39Å; T271-S275 PolarHBondContact O-N 2.97Å; T272-S275 WeakPolarHBondContact O-CB 3.39Å; T272-S275 PolarHBondContact O-N 2.97Å; Y273-S275 VanDerWaalsContact C-N 3.29Å; Y273-S275 PolarHBondContact O-N 2.93Å; S275-M277 VanDerWaalsContact C-N 3.34Å; S275-M277 PolarHBondContact O-N 3.43Å; S275-K278 PolarHBondContact O-N 3.38Å; S275-C279 PolarHBondContact O-SG 3.03Å
276I98.5Very high98Very high0 Ų050.7 Ų50.70%026%0.255CS..Hα-helixtrans-63.8-39.3173.4-61.1170.2000111.1I152 T272 Y273 K278 C279 R284 L287 Y288I152-I276 HydrophobicContact CD1-CD1 4.36Å; I152-I276 HydrophobicContact CD1-CG1 3.64Å; I152-I276 HydrophobicContact CG2-CD1 4.06Å; I152-I276 HydrophobicContact CG2-CG1 4.25Å; T272-I276 HydrophobicContact CG2-CD1 4.49Å; T272-I276 WeakPolarHBondContact O-CG1 3.36Å; T272-I276 PolarHBondContact O-N 3.45Å; T272-I276 VanDerWaalsContact O-N 3.11Å; Y273-I276 PolarHBondContact O-N 2.87Å; Y273-I276 VanDerWaalsContact O-N 3.15Å; I276-K278 VanDerWaalsContact C-N 3.25Å; I276-K278 PolarHBondContact O-N 3.2Å; I276-C279 VanDerWaalsContact O-CB 3.31Å; I276-C279 WeakPolarHBondContact O-CB 3.28Å; I276-C279 PolarHBondContact O-N 3.46Å; I276-R284 HydrophobicContact CG2-CB 3.89Å; I276-R284 HydrophobicContact CG2-CG 3.87Å; I276-R284 PolarHBondContact O-NE 2.91Å; I276-L287 HydrophobicContact CD1-CB 4.41Å; I276-L287 HydrophobicContact CG1-CB 4.12Å; I276-L287 HydrophobicContact CG1-CD1 4.4Å; I276-L287 HydrophobicContact CG2-CB 4.29Å; I276-L287 HydrophobicContact CG2-CD1 4.25Å; I276-Y288 HydrophobicContact CB-CE1 4.46Å; I276-Y288 HydrophobicContact CD1-CD1 3.43Å; I276-Y288 VanDerWaalsContact CD1-CD1 3.43Å; I276-Y288 HydrophobicContact CD1-CE1 3.38Å; I276-Y288 HydrophobicContact CD1-CG 4.17Å; I276-Y288 HydrophobicContact CG2-CD2 4.18Å; I276-Y288 HydrophobicContact CG2-CE1 4.14Å; I276-Y288 HydrophobicContact CG2-CE2 3.72Å
277M98Very high98.1Very high46 Ų4648.4 Ų48.423%0.22724%0.24CC..Hα-helixtrans-67.6-23.2178.5-75-60.1122.300113.8Y273 N274 S275 C279 R284 Y288Y273-M277 HydrophobicContact CD1-CG 4.15Å; Y273-M277 HydrophobicContact CD2-CE 4.36Å; Y273-M277 HydrophobicContact CD2-CG 4.34Å; Y273-M277 HydrophobicContact CE1-CG 3.64Å; Y273-M277 HydrophobicContact CE2-CE 3.73Å; Y273-M277 HydrophobicContact CE2-CG 3.88Å; Y273-M277 HydrophobicContact CE2-SD 4.27Å; Y273-M277 HydrophobicContact CG-CG 4.48Å; Y273-M277 VanDerWaalsContact CZ-CG 3.5Å; Y273-M277 WeakPolarHBondContact O-CG 3.44Å; Y273-M277 PolarHBondContact O-N 3.15Å; N274-M277 PolarHBondContact O-N 2.78Å; S275-M277 VanDerWaalsContact C-N 3.34Å; S275-M277 PolarHBondContact O-N 3.43Å; M277-C279 VanDerWaalsContact C-N 3.29Å; M277-R284 PolarHBondContact O-NH2 3.36Å; M277-R284 PolarHBondContact SD-NH1 3.45Å; M277-Y288 HydrophobicContact CE-CE2 4.23Å; M277-Y288 WeakPolarHBondContact CE-OH 3.44Å
278K98.5Very high98.1Very high109 Ų10948.3 Ų48.347%0.47424%0.239SC..THydrogen-bonded Turntrans-76.8-15.4171.5-74.4-176.9173.8-163.80113.5A175 L177 N274 S275 I276A175-K278 HydrophobicContact CB-CB 3.68Å; L177-K278 HydrophobicContact CD2-CD 4.22Å; L177-K278 VanDerWaalsContact CD2-NZ 3.33Å; N274-K278 WeakPolarHBondContact O-CG 3.44Å; N274-K278 PolarHBondContact O-N 3.42Å; S275-K278 PolarHBondContact O-N 3.38Å; I276-K278 VanDerWaalsContact C-N 3.25Å; I276-K278 PolarHBondContact O-N 3.2Å
279C98.2Very high98.1Very high2 Ų249.4 Ų49.41%0.01425%0.249CC..SBendtrans-84.6159.6178.1-61.10000112P165 A175 S275 I276 M277 I283 R284 L287P165-C279 VanDerWaalsContact CB-SG 3.56Å; A175-C279 VanDerWaalsContact CB-SG 3.5Å; S275-C279 PolarHBondContact O-SG 3.03Å; I276-C279 VanDerWaalsContact O-CB 3.31Å; I276-C279 WeakPolarHBondContact O-CB 3.28Å; I276-C279 PolarHBondContact O-N 3.46Å; M277-C279 VanDerWaalsContact C-N 3.29Å; C279-I283 HydrophobicContact CB-CD1 3.97Å; C279-I283 HydrophobicContact CB-CG1 4.12Å; C279-R284 VanDerWaalsContact O-CZ 3.31Å; C279-R284 PolarHBondContact O-NE 2.99Å; C279-R284 PolarHBondContact O-NH2 3.07Å; C279-L287 HydrophobicContact CB-CD1 3.77Å
280D97.3Very high98Very high117 Ų11750.5 Ų50.563%0.62626%0.255SS*.  trans-59.8143.6175.1-68.6-36.3000112.2D282 I283 R284D280-D282 PolarHBondContact O-N 3.05Å; D280-I283 VanDerWaalsContact O-CG1 3.29Å; D280-I283 WeakPolarHBondContact O-CG1 3.39Å; D280-I283 PolarHBondContact O-N 3.49Å; D280-R284 WeakPolarHBondContact O-CG 3.03Å
281V96.4Very high98Very high97 Ų9747 Ų4759%0.58824%0.238SC*.Hα-helixtrans-56.4-37.5-173.3176.20000112.2I283 R284V281-I283 VanDerWaalsContact C-N 3.27Å; V281-I283 PolarHBondContact O-N 3.4Å; V281-R284 PolarHBondContact O-N 3.21Å
282D96.5Very high98Very high144 Ų14446.3 Ų46.377%0.7723%0.234SC*.Hα-helixtrans-65.1-29.1-174.2-64-21.6000113D280D280-D282 PolarHBondContact O-N 3.05Å
283I97.3Very high98Very high20 Ų2046.3 Ų46.310%0.10323%0.234CC..Hα-helixtrans-96.3-13.8-177.867.3166.3000113.3Y167 L172 C279 D280 V281 K285 D286 L287Y167-I283 HydrophobicContact CD2-CB 4.08Å; Y167-I283 HydrophobicContact CD2-CD1 4.37Å; Y167-I283 HydrophobicContact CD2-CG2 3.65Å; Y167-I283 HydrophobicContact CE2-CB 4.19Å; Y167-I283 HydrophobicContact CE2-CG2 3.42Å; Y167-I283 VanDerWaalsContact CE2-CG2 3.42Å; Y167-I283 HydrophobicContact CG-CG2 4.4Å; L172-I283 HydrophobicContact CD1-CD1 3.48Å; L172-I283 VanDerWaalsContact CD1-CD1 3.48Å; C279-I283 HydrophobicContact CB-CD1 3.97Å; C279-I283 HydrophobicContact CB-CG1 4.12Å; D280-I283 VanDerWaalsContact O-CG1 3.29Å; D280-I283 WeakPolarHBondContact O-CG1 3.39Å; D280-I283 PolarHBondContact O-N 3.49Å; V281-I283 VanDerWaalsContact C-N 3.27Å; V281-I283 PolarHBondContact O-N 3.4Å; I283-K285 PolarHBondContact O-N 3.01Å; I283-D286 PolarHBondContact O-N 3.4Å; I283-L287 HydrophobicContact CD1-CD1 4.22Å; I283-L287 HydrophobicContact CG1-CD1 4.27Å; I283-L287 WeakPolarHBondContact O-CG 3.43Å; I283-L287 PolarHBondContact O-N 3.46Å; I283-L287 VanDerWaalsContact O-N 3.09Å
284R98.1Very high98Very high52 Ų5243.7 Ų43.720%0.19622%0.224CC..Hα-helixtrans-58.1-36.4-174.9-63.9-176.4-171.5179.5-0.1112.8I276 M277 C279 D280 V281 D286 L287 Y288I276-R284 HydrophobicContact CG2-CB 3.89Å; I276-R284 HydrophobicContact CG2-CG 3.87Å; I276-R284 PolarHBondContact O-NE 2.91Å; M277-R284 PolarHBondContact O-NH2 3.36Å; M277-R284 PolarHBondContact SD-NH1 3.45Å; C279-R284 VanDerWaalsContact O-CZ 3.31Å; C279-R284 PolarHBondContact O-NE 2.99Å; C279-R284 PolarHBondContact O-NH2 3.07Å; D280-R284 WeakPolarHBondContact O-CG 3.03Å; V281-R284 PolarHBondContact O-N 3.21Å; R284-D286 VanDerWaalsContact C-N 3.29Å; R284-D286 PolarHBondContact O-N 3.15Å; R284-L287 PolarHBondContact O-N 3.06Å; R284-Y288 HydrophobicContact CB-CD2 4.38Å; R284-Y288 HydrophobicContact CB-CE2 4.3Å; R284-Y288 WeakPolarHBondContact O-CB 3.43Å; R284-Y288 WeakPolarHBondContact O-CD2 3.41Å; R284-Y288 PolarHBondContact O-N 3.38Å
285K97.7Very high98Very high140 Ų14041.2 Ų41.261%0.60921%0.213SC*.Hα-helixtrans-58.7-43.1176.9-178.5-174.5173.6-1710111.4I283 A289 M319I283-K285 PolarHBondContact O-N 3.01Å; K285-A289 WeakPolarHBondContact O-CB 3.33Å; K285-A289 PolarHBondContact O-N 2.91Å; K285-A289 VanDerWaalsContact O-N 3.08Å; K285-M319 HydrophobicContact CB-SD 4.03Å; K285-M319 HydrophobicContact CG-SD 4.41Å
286D97.8Very high97.9Very high68 Ų6843.3 Ų43.336%0.36423%0.234SC..Hα-helixtrans-72.7-35.8179.8-63-38.7000111.7T150 I283 R284 A289 N290T150-D286 HydrophobicContact CG2-CB 3.84Å; I283-D286 PolarHBondContact O-N 3.4Å; R284-D286 VanDerWaalsContact C-N 3.29Å; R284-D286 PolarHBondContact O-N 3.15Å; D286-A289 PolarHBondContact O-N 3.16Å; D286-N290 WeakPolarHBondContact O-CB 3.31Å; D286-N290 PolarHBondContact O-N 2.86Å; D286-N290 VanDerWaalsContact O-N 3.12Å; D286-N290 PolarHBondContact O-ND2 3.42Å
287L98.4Very high97.9Very high0 Ų043.5 Ų43.50%024%0.235CC..Hα-helixtrans-63.2-47.4174.3-60-179.8000111.5G151 I152 P165 I276 C279 I283 R284 A289 N290 T291G151-L287 VanDerWaalsContact C-CD2 3.45Å; G151-L287 VanDerWaalsContact O-CD2 3.29Å; G151-L287 WeakPolarHBondContact O-CD2 3.35Å; I152-L287 HydrophobicContact CG2-CB 4.47Å; P165-L287 HydrophobicContact CB-CD1 4.08Å; P165-L287 HydrophobicContact CB-CD2 4.25Å; I276-L287 HydrophobicContact CD1-CB 4.41Å; I276-L287 HydrophobicContact CG1-CB 4.12Å; I276-L287 HydrophobicContact CG1-CD1 4.4Å; I276-L287 HydrophobicContact CG2-CB 4.29Å; I276-L287 HydrophobicContact CG2-CD1 4.25Å; C279-L287 HydrophobicContact CB-CD1 3.77Å; I283-L287 HydrophobicContact CD1-CD1 4.22Å; I283-L287 HydrophobicContact CG1-CD1 4.27Å; I283-L287 WeakPolarHBondContact O-CG 3.43Å; I283-L287 PolarHBondContact O-N 3.46Å; I283-L287 VanDerWaalsContact O-N 3.09Å; R284-L287 PolarHBondContact O-N 3.06Å; L287-A289 VanDerWaalsContact C-N 3.34Å; L287-A289 PolarHBondContact O-N 2.77Å; L287-N290 CarbonylContact O-C 3.46Å; L287-N290 VanDerWaalsContact O-C 3.25Å; L287-N290 PolarHBondContact O-N 3.36Å; L287-T291 PolarHBondContact O-N 2.91Å; L287-T291 PolarHBondContact O-OG1 2.9Å
288Y98.4Very high98Very high0 Ų041.4 Ų41.40%023%0.225CC..Hα-helixtrans-63-38.1176.6-79.3-53000113.5Y273 I276 M277 R284 N290 I311 A315 M319 K320 I321 K322Y273-Y288 VanDerWaalsContact CD2-OH 3.28Å; Y273-Y288 WeakPolarHBondContact CD2-OH 3.4Å; Y273-Y288 WeakPolarHBondContact CE2-OH 3.39Å; I276-Y288 HydrophobicContact CB-CE1 4.46Å; I276-Y288 HydrophobicContact CD1-CD1 3.43Å; I276-Y288 VanDerWaalsContact CD1-CD1 3.43Å; I276-Y288 HydrophobicContact CD1-CE1 3.38Å; I276-Y288 HydrophobicContact CD1-CG 4.17Å; I276-Y288 HydrophobicContact CG2-CD2 4.18Å; I276-Y288 HydrophobicContact CG2-CE1 4.14Å; I276-Y288 HydrophobicContact CG2-CE2 3.72Å; M277-Y288 HydrophobicContact CE-CE2 4.23Å; M277-Y288 WeakPolarHBondContact CE-OH 3.44Å; R284-Y288 HydrophobicContact CB-CD2 4.38Å; R284-Y288 HydrophobicContact CB-CE2 4.3Å; R284-Y288 WeakPolarHBondContact O-CB 3.43Å; R284-Y288 WeakPolarHBondContact O-CD2 3.41Å; R284-Y288 PolarHBondContact O-N 3.38Å; Y288-N290 PolarHBondContact O-N 3.01Å; Y288-I311 HydrophobicContact CD1-CG2 3.91Å; Y288-I311 HydrophobicContact CE1-CG2 3.86Å; Y288-A315 HydrophobicContact CD1-CB 4.26Å; Y288-A315 HydrophobicContact CE1-CB 3.66Å; Y288-A315 HydrophobicContact CE2-CB 4.25Å; Y288-M319 HydrophobicContact CD2-CB 3.88Å; Y288-M319 HydrophobicContact CD2-CG 3.68Å; Y288-M319 HydrophobicContact CD2-SD 3.97Å; Y288-M319 HydrophobicContact CE2-CB 4.37Å; Y288-M319 HydrophobicContact CE2-CG 3.89Å; Y288-M319 HydrophobicContact CE2-SD 4.47Å; Y288-M319 HydrophobicContact CG-CB 4.33Å; Y288-K320 CarbonylContact C-O 3.55Å; Y288-I321 HydrophobicContact CD1-CD1 3.37Å; Y288-I321 HydrophobicContact CD2-CD1 4.35Å; Y288-I321 HydrophobicContact CE1-CD1 4.07Å; Y288-I321 HydrophobicContact CG-CD1 3.53Å; Y288-K322 PolarHBondContact O-N 3.38Å
289A97.9Very high98Very high27 Ų2739.3 Ų39.322%0.22322%0.218CC..Hα-helixtrans-75.8-9.7178.200000113.3K285 D286 L287 K320 K322K285-A289 WeakPolarHBondContact O-CB 3.33Å; K285-A289 PolarHBondContact O-N 2.91Å; K285-A289 VanDerWaalsContact O-N 3.08Å; D286-A289 PolarHBondContact O-N 3.16Å; L287-A289 VanDerWaalsContact C-N 3.34Å; L287-A289 PolarHBondContact O-N 2.77Å; A289-K320 PolarHBondContact N-O 3.39Å; A289-K322 WeakPolarHBondContact O-CB 3.1Å
290N98.1Very high98Very high36 Ų3639.9 Ų39.919%0.19322%0.22CC..THydrogen-bonded Turntrans-137.355.7-177.7-62.4-65.8000111.7R148 T150 G151 I152 D286 L287 Y288 V292 I324R148-N290 WeakPolarHBondContact CD-OD1 3.4Å; R148-N290 PolarHBondContact NE-OD1 2.92Å; T150-N290 WeakPolarHBondContact O-CB 3.2Å; G151-N290 VanDerWaalsContact CA-O 3.29Å; G151-N290 WeakPolarHBondContact CA-O 3.13Å; I152-N290 PolarHBondContact N-O 2.93Å; D286-N290 WeakPolarHBondContact O-CB 3.31Å; D286-N290 PolarHBondContact O-N 2.86Å; D286-N290 VanDerWaalsContact O-N 3.12Å; D286-N290 PolarHBondContact O-ND2 3.42Å; L287-N290 CarbonylContact O-C 3.46Å; L287-N290 VanDerWaalsContact O-C 3.25Å; L287-N290 PolarHBondContact O-N 3.36Å; Y288-N290 PolarHBondContact O-N 3.01Å; N290-V292 PolarHBondContact O-N 2.96Å; N290-I324 HydrophobicContact CB-CD1 4.36Å
291T98.6Very high98Very high0 Ų038.3 Ų38.30%022%0.216CC..EExtended strand (participates in β ladder)trans-84.9107171.6-59.60000109.6I152 T272 L287 I311 K322 I323 I324I152-T291 HydrophobicContact CG2-CG2 4.1Å; I152-T291 WeakPolarHBondContact CG2-OG1 3.45Å; I152-T291 CarbonylContact O-C 3.55Å; I152-T291 WeakPolarHBondContact O-CA 3.34Å; T272-T291 HydrophobicContact CG2-CG2 4.19Å; L287-T291 PolarHBondContact O-N 2.91Å; L287-T291 PolarHBondContact O-OG1 2.9Å; T291-I311 HydrophobicContact CG2-CD1 4.24Å; T291-K322 PolarHBondContact N-O 3.1Å; T291-I323 HydrophobicContact CG2-CD1 3.69Å; T291-I323 CarbonylContact O-C 3.54Å; T291-I323 WeakPolarHBondContact O-CA 3.5Å; T291-I324 PolarHBondContact O-N 3.48Å
292V98.7Very high98.1Very high0 Ų035 Ų350%020%0.201CC..EExtended strand (participates in β ladder)trans-99.5130.3-176.9179.80000110.4L143 I152 V153 L154 N290 I324L143-V292 HydrophobicContact CD1-CB 4.44Å; L143-V292 HydrophobicContact CD1-CG2 3.77Å; I152-V292 PolarHBondContact O-N 2.63Å; V153-V292 CarbonylContact C-O 3.59Å; V153-V292 WeakPolarHBondContact CA-O 3.25Å; V153-V292 HydrophobicContact CG2-CB 4.26Å; L154-V292 PolarHBondContact N-O 2.95Å; N290-V292 PolarHBondContact O-N 2.96Å; V292-I324 WeakPolarHBondContact CA-O 3.35Å; V292-I324 HydrophobicContact CG2-CB 4.09Å; V292-I324 HydrophobicContact CG2-CD1 3.91Å; V292-I324 HydrophobicContact CG2-CG2 4.32Å
293L98.8Very high98.2Very high0 Ų028.2 Ų28.20%017%0.165CC..EExtended strand (participates in β ladder)trans-90.7131.6172.6-56.8-170.2000110.3L154 T298 I303 A304 I323 I324 R329L154-L293 HydrophobicContact CB-CD2 4Å; L154-L293 HydrophobicContact CD2-CD2 3.93Å; L154-L293 HydrophobicContact CG-CD2 4.33Å; L293-T298 HydrophobicContact CB-CG2 4.27Å; L293-I303 HydrophobicContact CD1-CG2 4.02Å; L293-A304 HydrophobicContact CD1-CB 4.13Å; L293-I323 HydrophobicContact CD1-CG2 3.76Å; L293-I323 HydrophobicContact CD2-CG2 4.14Å; L293-I323 HydrophobicContact CG-CG2 3.73Å; L293-I324 PolarHBondContact N-O 3.27Å; L293-R329 WeakPolarHBondContact O-CB 3.49Å
294S98.4Very high98.3Very high1 Ų128.2 Ų28.21%0.00717%0.168CC..EExtended strand (participates in β ladder)trans-136154177.7174.80000111.5S142 L154 D155 S156 T298S142-S294 WeakPolarHBondContact CB-OG 3.43Å; S142-S294 PolarHBondContact OG-OG 3.38Å; L154-S294 PolarHBondContact O-N 3.31Å; D155-S294 WeakPolarHBondContact CA-O 3.31Å; D155-S294 VanDerWaalsContact OD1-C 3.28Å; D155-S294 WeakPolarHBondContact OD1-CB 3.44Å; D155-S294 PolarHBondContact OD1-OG 2.79Å; S156-S294 PolarHBondContact N-O 2.84Å; S294-T298 WeakPolarHBondContact O-CG2 3.29Å; S294-T298 PolarHBondContact O-OG1 3.38Å
295G97.7Very high98.3Very high7 Ų730.9 Ų30.97%0.07219%0.186CC..SBendtrans91.3160172.500000114.1D155 S156 S297 T298 R329D155-G295 PolarHBondContact OD1-N 3.49Å; S156-G295 CarbonylContact O-C 3.52Å; S156-G295 WeakPolarHBondContact O-CA 3.38Å; G295-S297 VanDerWaalsContact C-N 3.35Å; G295-S297 PolarHBondContact O-N 2.99Å; G295-T298 PolarHBondContact O-N 3.29Å; G295-T298 VanDerWaalsContact O-N 3.08Å; G295-T298 PolarHBondContact O-OG1 2.95Å; G295-R329 PolarHBondContact N-O 3.37Å; G295-R329 VanDerWaalsContact N-O 3.1Å
296G97.3Very high98.4Very high44 Ų4424.7 Ų24.745%0.45416%0.159SC..G310 helixtrans-62.6-34.5-170.400000114.6S156 T298 M299S156-G296 PolarHBondContact O-N 2.77Å; G296-T298 PolarHBondContact O-N 3.18Å; G296-M299 WeakPolarHBondContact O-CB 3.38Å; G296-M299 WeakPolarHBondContact O-CG 3.46Å; G296-M299 PolarHBondContact O-N 3.02Å
297S98.4Very high98.4Very high4 Ų421.4 Ų21.43%0.02814%0.142CC..G310 helixtrans-75.3-8.4178.7-63.80000112.8S156 G157 G183 G295 M299 F300S156-S297 WeakPolarHBondContact O-CB 3.31Å; S156-S297 PolarHBondContact O-N 3.21Å; S156-S297 VanDerWaalsContact OG-CB 3.27Å; S156-S297 WeakPolarHBondContact OG-CB 3.43Å; G157-S297 PolarHBondContact O-OG 3.23Å; G183-S297 VanDerWaalsContact CA-OG 3.26Å; G183-S297 WeakPolarHBondContact CA-OG 3.34Å; G183-S297 PolarHBondContact N-OG 3.32Å; G183-S297 VanDerWaalsContact N-OG 3.08Å; G295-S297 VanDerWaalsContact C-N 3.35Å; G295-S297 PolarHBondContact O-N 2.99Å; S297-M299 VanDerWaalsContact C-N 3.32Å; S297-F300 WeakPolarHBondContact O-CD2 3.43Å; S297-F300 WeakPolarHBondContact O-CE2 3.28Å
298T98.6Very high98.4Very high1 Ų124.3 Ų24.31%0.00616%0.155CC..G310 helixtrans-89.64.2167.5750000113.2L293 S294 G295 G296 F300 I303 R329L293-T298 HydrophobicContact CB-CG2 4.27Å; S294-T298 WeakPolarHBondContact O-CG2 3.29Å; S294-T298 PolarHBondContact O-OG1 3.38Å; G295-T298 PolarHBondContact O-N 3.29Å; G295-T298 VanDerWaalsContact O-N 3.08Å; G295-T298 PolarHBondContact O-OG1 2.95Å; G296-T298 PolarHBondContact O-N 3.18Å; T298-F300 VanDerWaalsContact C-N 3.32Å; T298-I303 VanDerWaalsContact O-CG2 3.25Å; T298-I303 WeakPolarHBondContact O-CG2 3.43Å; T298-R329 VanDerWaalsContact O-CZ 3.28Å; T298-R329 PolarHBondContact O-NE 3.24Å; T298-R329 PolarHBondContact O-NH2 2.95Å; T298-R329 WeakPolarHBondContact OG1-CD 3.29Å; T298-R329 PolarHBondContact OG1-NE 3.11Å
299M98.4Very high98.4Very high66 Ų6628.1 Ų28.133%0.32517%0.172SC..  trans-81.5-9177.7-64.1-63.5-63.400113.5G296 S297 R329 K330G296-M299 WeakPolarHBondContact O-CB 3.38Å; G296-M299 WeakPolarHBondContact O-CG 3.46Å; G296-M299 PolarHBondContact O-N 3.02Å; S297-M299 VanDerWaalsContact C-N 3.32Å; M299-R329 HydrophobicContact SD-CG 3.48Å; M299-R329 WeakPolarHBondContact SD-CG 3.36Å; M299-K330 HydrophobicContact CE-CG 4.43Å; M299-K330 HydrophobicContact CG-CB 3.99Å; M299-K330 HydrophobicContact SD-CB 4Å; M299-K330 HydrophobicContact SD-CG 4.29Å
300F98.6Very high98.5Very high14 Ų1428.8 Ų28.86%0.06117%0.17CC..SBendtrans-56.2128.5176.3-67.8-63.4000110.9L186 K207 C211 V213 P252 L255 S297 T298 G302 I303L186-F300 HydrophobicContact CD1-CE2 3.64Å; L186-F300 HydrophobicContact CD1-CZ 3.91Å; K207-F300 HydrophobicContact CD-CZ 4.09Å; K207-F300 HydrophobicContact CG-CE1 3.89Å; K207-F300 HydrophobicContact CG-CZ 3.89Å; C211-F300 HydrophobicContact CB-CD1 3.94Å; C211-F300 HydrophobicContact CB-CE1 3.65Å; V213-F300 HydrophobicContact CG2-CB 3.87Å; V213-F300 HydrophobicContact CG2-CG 4.43Å; P252-F300 HydrophobicContact CB-CD1 4.26Å; P252-F300 HydrophobicContact CB-CD2 3.84Å; P252-F300 HydrophobicContact CB-CE1 4.29Å; P252-F300 HydrophobicContact CB-CE2 3.89Å; P252-F300 HydrophobicContact CB-CG 4.06Å; P252-F300 HydrophobicContact CB-CZ 4.11Å; L255-F300 HydrophobicContact CD1-CD2 4.31Å; L255-F300 HydrophobicContact CD1-CE2 4.23Å; S297-F300 WeakPolarHBondContact O-CD2 3.43Å; S297-F300 WeakPolarHBondContact O-CE2 3.28Å; T298-F300 VanDerWaalsContact C-N 3.32Å; F300-G302 PolarHBondContact O-N 2.87Å; F300-I303 HydrophobicContact CB-CB 4.47Å; F300-I303 VanDerWaalsContact O-CG2 3.24Å; F300-I303 WeakPolarHBondContact O-CG2 3.28Å; F300-I303 PolarHBondContact O-N 3.15Å
301P98.5Very high98.5Very high83 Ų8327 Ų2754%0.53916%0.161SC..THydrogen-bonded Turntrans-54.3140.6169.8-24.734.3000110.7F212 V213 I303F212-P301 HydrophobicContact CB-CB 4.07Å; F212-P301 HydrophobicContact CB-CG 4.4Å; V213-P301 PolarHBondContact N-O 2.87Å; P301-I303 VanDerWaalsContact C-N 3.31Å; P301-I303 PolarHBondContact O-N 3.37Å
302G98.5Very high98.5Very high27 Ų2730.6 Ų30.628%0.27818%0.183SC..THydrogen-bonded Turntrans83.2-11.1179.500000115.9F300 A304 D305 R306F300-G302 PolarHBondContact O-N 2.87Å; G302-A304 VanDerWaalsContact C-N 3.31Å; G302-A304 PolarHBondContact O-N 3.03Å; G302-D305 PolarHBondContact O-N 2.99Å; G302-R306 PolarHBondContact O-N 3.45Å
303I98.8Very high98.4Very high3 Ų334.4 Ų34.42%0.01521%0.214CC..Hα-helixtrans-63.7-36.6-177-162.6175.4000112.7V213 L255 F256 L293 T298 F300 P301 R306 M307V213-I303 HydrophobicContact CB-CB 4.28Å; V213-I303 HydrophobicContact CG2-CB 3.92Å; V213-I303 HydrophobicContact CG2-CG1 4.07Å; L255-I303 HydrophobicContact CD1-CD1 4.33Å; F256-I303 HydrophobicContact CE2-CG1 4.25Å; F256-I303 HydrophobicContact CZ-CG1 3.98Å; L293-I303 HydrophobicContact CD1-CG2 4.02Å; T298-I303 VanDerWaalsContact O-CG2 3.25Å; T298-I303 WeakPolarHBondContact O-CG2 3.43Å; F300-I303 HydrophobicContact CB-CB 4.47Å; F300-I303 VanDerWaalsContact O-CG2 3.24Å; F300-I303 WeakPolarHBondContact O-CG2 3.28Å; F300-I303 PolarHBondContact O-N 3.15Å; P301-I303 VanDerWaalsContact C-N 3.31Å; P301-I303 PolarHBondContact O-N 3.37Å; I303-R306 PolarHBondContact O-N 3.25Å; I303-M307 HydrophobicContact CG1-CG 4.34Å; I303-M307 VanDerWaalsContact O-CB 3.31Å; I303-M307 WeakPolarHBondContact O-CB 3.26Å; I303-M307 VanDerWaalsContact O-CG 3.24Å; I303-M307 WeakPolarHBondContact O-CG 3.47Å; I303-M307 PolarHBondContact O-N 3.33Å
304A98.6Very high98.4Very high20 Ų2037.2 Ų37.217%0.16523%0.229CC..Hα-helixtrans-65.3-42.6179.200000111.6L293 G302 M307 Q308 I323L293-A304 HydrophobicContact CD1-CB 4.13Å; G302-A304 VanDerWaalsContact C-N 3.31Å; G302-A304 PolarHBondContact O-N 3.03Å; A304-M307 PolarHBondContact O-N 3.39Å; A304-Q308 VanDerWaalsContact O-CB 3.31Å; A304-Q308 WeakPolarHBondContact O-CB 3.14Å; A304-Q308 PolarHBondContact O-N 3.12Å; A304-I323 HydrophobicContact CB-CG2 4.09Å
305D98.7Very high98.3Very high107 Ų10737.7 Ų37.757%0.57223%0.233SC*.Hα-helixtrans-68.4-41.4178-58.9-54.9000111.5L215 G302 Q308 K309L215-D305 HydrophobicContact CD1-CB 4.21Å; G302-D305 PolarHBondContact O-N 2.99Å; D305-Q308 WeakPolarHBondContact O-CB 3.41Å; D305-Q308 PolarHBondContact O-N 2.93Å; D305-K309 PolarHBondContact O-N 3.17Å
306R98.8Very high98.2Very high10 Ų1040.2 Ų40.24%0.03825%0.248CC..Hα-helixtrans-62.1-48.4174-176.363.6176.4-72.5-8.9111.3V213 A214 L215 E253 F256 G302 I303 Q308 K309 E310V213-R306 HydrophobicContact CG1-CB 3.49Å; V213-R306 VanDerWaalsContact CG1-CB 3.49Å; V213-R306 HydrophobicContact CG1-CG 3.66Å; A214-R306 WeakPolarHBondContact O-CD 3.39Å; A214-R306 PolarHBondContact O-NH1 3.43Å; L215-R306 WeakPolarHBondContact O-CD 3.28Å; E253-R306 IonicContact OE1-CZ 3.57Å; E253-R306 IonicContact OE1-NH1 3.67Å; E253-R306 PolarHBondContact OE1-NH1 3.12Å; E253-R306 IonicContact OE1-NH2 3.31Å; E253-R306 PolarHBondContact OE1-NH2 2.93Å; E253-R306 IonicContact OE2-CZ 3.72Å; E253-R306 IonicContact OE2-NH1 2.77Å; E253-R306 PolarHBondContact OE2-NH1 3.39Å; E253-R306 IonicContact OE2-NH2 3.85Å; F256-R306 HydrophobicContact CD1-CG 3.93Å; F256-R306 HydrophobicContact CE1-CB 4.26Å; F256-R306 HydrophobicContact CE1-CG 3.44Å; F256-R306 VanDerWaalsContact CE1-CG 3.44Å; F256-R306 HydrophobicContact CE2-CG 4.09Å; F256-R306 HydrophobicContact CG-CG 4.47Å; F256-R306 HydrophobicContact CZ-CB 4.01Å; F256-R306 HydrophobicContact CZ-CG 3.53Å; G302-R306 PolarHBondContact O-N 3.45Å; I303-R306 PolarHBondContact O-N 3.25Å; R306-Q308 VanDerWaalsContact C-N 3.29Å; R306-Q308 PolarHBondContact O-N 2.9Å; R306-K309 PolarHBondContact O-N 2.99Å; R306-E310 HydrophobicContact CG-CG 4.32Å; R306-E310 IonicContact CZ-OE1 2.83Å; R306-E310 IonicContact NE-OE1 2.91Å; R306-E310 PolarHBondContact NE-OE1 2.93Å; R306-E310 IonicContact NH2-OE1 2.63Å; R306-E310 PolarHBondContact NH2-OE1 2.97Å; R306-E310 WeakPolarHBondContact O-CG 2.98Å; R306-E310 PolarHBondContact O-N 3.47Å
307M98.7Very high98.1Very high0 Ų044.3 Ų44.30%027%0.27CS..Hα-helixtrans-58.1-40.7174.7-76.5-65-65.700112.3L154 F256 V268 H269 I303 A304 I311 I323L154-M307 HydrophobicContact CD2-CE 3.58Å; L154-M307 HydrophobicContact CD2-SD 3.99Å; F256-M307 HydrophobicContact CE1-CG 4.29Å; F256-M307 HydrophobicContact CE1-SD 3.79Å; F256-M307 HydrophobicContact CZ-CG 4.21Å; F256-M307 HydrophobicContact CZ-SD 4.13Å; V268-M307 HydrophobicContact CG2-SD 3.9Å; H269-M307 HydrophobicContact CB-CE 4.45Å; H269-M307 HydrophobicContact CB-SD 3.86Å; I303-M307 HydrophobicContact CG1-CG 4.34Å; I303-M307 VanDerWaalsContact O-CB 3.31Å; I303-M307 WeakPolarHBondContact O-CB 3.26Å; I303-M307 VanDerWaalsContact O-CG 3.24Å; I303-M307 WeakPolarHBondContact O-CG 3.47Å; I303-M307 PolarHBondContact O-N 3.33Å; A304-M307 PolarHBondContact O-N 3.39Å; M307-I311 HydrophobicContact CE-CD1 3.58Å; M307-I311 HydrophobicContact CE-CG1 4.27Å; M307-I311 WeakPolarHBondContact O-CB 3.44Å; M307-I311 WeakPolarHBondContact O-CG1 3.5Å; M307-I311 PolarHBondContact O-N 3.49Å; M307-I323 HydrophobicContact CB-CD1 4.18Å; M307-I323 HydrophobicContact CB-CG1 4.14Å; M307-I323 HydrophobicContact CB-CG2 4.47Å
308Q98.7Very high97.9Very high61 Ų6150 Ų5029%0.28530%0.304SS..Hα-helixtrans-61.6-47176.5-178.670.760.200110.9A304 D305 R306 T312 I321 I323A304-Q308 VanDerWaalsContact O-CB 3.31Å; A304-Q308 WeakPolarHBondContact O-CB 3.14Å; A304-Q308 PolarHBondContact O-N 3.12Å; D305-Q308 WeakPolarHBondContact O-CB 3.41Å; D305-Q308 PolarHBondContact O-N 2.93Å; R306-Q308 VanDerWaalsContact C-N 3.29Å; R306-Q308 PolarHBondContact O-N 2.9Å; Q308-T312 PolarHBondContact NE2-OG1 3.03Å; Q308-T312 WeakPolarHBondContact O-CB 3.38Å; Q308-T312 PolarHBondContact O-N 3.45Å; Q308-T312 VanDerWaalsContact O-N 3.1Å; Q308-T312 PolarHBondContact O-OG1 3.08Å; Q308-I321 PolarHBondContact NE2-O 3.13Å; Q308-I321 PolarHBondContact OE1-O 3.49Å; Q308-I323 HydrophobicContact CB-CG1 3.76Å
309K98.6Very high97.7Very high80 Ų8052.2 Ų52.235%0.34832%0.315SS..Hα-helixtrans-59.3-53.9176.8175.9-177.2169.5-176.60111.3L215 D216 D305 R306 T312 A313L215-K309 HydrophobicContact CD1-CB 4.07Å; L215-K309 HydrophobicContact CD1-CD 3.83Å; L215-K309 HydrophobicContact CG-CD 4.14Å; L215-K309 WeakPolarHBondContact O-CD 3.44Å; L215-K309 PolarHBondContact O-NZ 2.93Å; D216-K309 IonicContact OD2-NZ 3.18Å; D216-K309 PolarHBondContact OD2-NZ 3.41Å; D305-K309 PolarHBondContact O-N 3.17Å; R306-K309 PolarHBondContact O-N 2.99Å; K309-T312 PolarHBondContact O-N 2.83Å; K309-A313 PolarHBondContact O-N 2.6Å; K309-A313 VanDerWaalsContact O-N 3.09Å
310E98.6Very high97.6Very high40 Ų4056.9 Ų56.919%0.18733%0.334CS..Hα-helixtrans-67.5-45-173.4-62.1-60.4175.800112.6F256 H269 R306 T312 A313 L314F256-E310 HydrophobicContact CD1-CG 4.33Å; F256-E310 HydrophobicContact CE1-CG 4.46Å; H269-E310 HydrophobicContact CB-CB 3.66Å; H269-E310 HydrophobicContact CB-CG 4.26Å; R306-E310 HydrophobicContact CG-CG 4.32Å; R306-E310 IonicContact CZ-OE1 2.83Å; R306-E310 IonicContact NE-OE1 2.91Å; R306-E310 PolarHBondContact NE-OE1 2.93Å; R306-E310 IonicContact NH2-OE1 2.63Å; R306-E310 PolarHBondContact NH2-OE1 2.97Å; R306-E310 WeakPolarHBondContact O-CG 2.98Å; R306-E310 PolarHBondContact O-N 3.47Å; E310-T312 VanDerWaalsContact C-N 3.31Å; E310-T312 PolarHBondContact O-N 3.21Å; E310-A313 PolarHBondContact O-N 2.83Å; E310-L314 WeakPolarHBondContact O-CG 3.29Å; E310-L314 PolarHBondContact O-N 3.2Å; E310-L314 VanDerWaalsContact O-N 3.11Å
311I98.4Very high97.6Very high0 Ų057 Ų570%034%0.335CS..Hα-helixtrans-66.2-36.2177.7-66.5-178.4000110.9T272 Y288 T291 M307 A313 L314 A315 I321 I323T272-I311 HydrophobicContact CG2-CD1 3.79Å; Y288-I311 HydrophobicContact CD1-CG2 3.91Å; Y288-I311 HydrophobicContact CE1-CG2 3.86Å; T291-I311 HydrophobicContact CG2-CD1 4.24Å; M307-I311 HydrophobicContact CE-CD1 3.58Å; M307-I311 HydrophobicContact CE-CG1 4.27Å; M307-I311 WeakPolarHBondContact O-CB 3.44Å; M307-I311 WeakPolarHBondContact O-CG1 3.5Å; M307-I311 PolarHBondContact O-N 3.49Å; I311-A313 VanDerWaalsContact C-N 3.28Å; I311-A313 PolarHBondContact O-N 3.17Å; I311-L314 PolarHBondContact O-N 3.35Å; I311-A315 WeakPolarHBondContact O-CB 3.23Å; I311-A315 PolarHBondContact O-N 2.92Å; I311-I321 HydrophobicContact CB-CG2 4.01Å; I311-I321 HydrophobicContact CG2-CD1 4.09Å; I311-I321 HydrophobicContact CG2-CG1 4.18Å; I311-I321 HydrophobicContact CG2-CG2 3.58Å; I311-I323 HydrophobicContact CD1-CD1 4.07Å
312T98.2Very high97.6Very high74 Ų7457.8 Ų57.845%0.45433%0.33SS..Hα-helixtrans-63.7-34.5175.7-57.90000112Q308 K309 E310Q308-T312 PolarHBondContact NE2-OG1 3.03Å; Q308-T312 WeakPolarHBondContact O-CB 3.38Å; Q308-T312 PolarHBondContact O-N 3.45Å; Q308-T312 VanDerWaalsContact O-N 3.1Å; Q308-T312 PolarHBondContact O-OG1 3.08Å; K309-T312 PolarHBondContact O-N 2.83Å; E310-T312 VanDerWaalsContact C-N 3.31Å; E310-T312 PolarHBondContact O-N 3.21Å
313A98.1Very high97.6Very high80 Ų8057.5 Ų57.566%0.66132%0.322SS*.Hα-helixtrans-71.7-34.5176.600000113K309 E310 I311K309-A313 PolarHBondContact O-N 2.6Å; K309-A313 VanDerWaalsContact O-N 3.09Å; E310-A313 PolarHBondContact O-N 2.83Å; I311-A313 VanDerWaalsContact C-N 3.28Å; I311-A313 PolarHBondContact O-N 3.17Å
314L98.1Very high97.6Very high60 Ų6058.4 Ų58.431%0.31433%0.326SS..Hα-helixtrans-83.3-34-179.6-66.2172.6000113.4E270 Y273 E310 I311E270-L314 HydrophobicContact CG-CD1 3.95Å; Y273-L314 HydrophobicContact CD1-CB 4.5Å; Y273-L314 HydrophobicContact CD2-CB 3.66Å; Y273-L314 HydrophobicContact CE2-CB 4.01Å; Y273-L314 WeakPolarHBondContact CE2-O 3.5Å; Y273-L314 HydrophobicContact CG-CB 3.92Å; Y273-L314 HydrophobicContact CG-CD1 4.15Å; E310-L314 WeakPolarHBondContact O-CG 3.29Å; E310-L314 PolarHBondContact O-N 3.2Å; E310-L314 VanDerWaalsContact O-N 3.11Å; I311-L314 PolarHBondContact O-N 3.35Å
315A97.1Very high97.5Very high11 Ų1159.6 Ų59.69%0.09133%0.334CS..SBendtrans-76.1154.4-174.800000112.8Y288 I311 S317 I321Y288-A315 HydrophobicContact CD1-CB 4.26Å; Y288-A315 HydrophobicContact CE1-CB 3.66Å; Y288-A315 HydrophobicContact CE2-CB 4.25Å; I311-A315 WeakPolarHBondContact O-CB 3.23Å; I311-A315 PolarHBondContact O-N 2.92Å; A315-S317 PolarHBondContact O-N 3.24Å; A315-I321 HydrophobicContact CB-CD1 3.64Å; A315-I321 HydrophobicContact CB-CG1 4.26Å
316P95.6Very high97.4Very high60 Ų6055.2 Ų55.239%0.3931%0.311SS..  trans-56.4139.3170.9-22.632.7000111.7T318 M319P316-T318 PolarHBondContact O-N 3.38Å; P316-M319 HydrophobicContact CB-CG 4.15Å; P316-M319 HydrophobicContact CG-CG 4.28Å; P316-M319 WeakPolarHBondContact O-CB 3.29Å; P316-M319 PolarHBondContact O-N 3.46Å
317S94.2Very high97.3Very high129 Ų12959.7 Ų59.790%0.90234%0.341SS*.THydrogen-bonded Turntrans-61.3-15.9-175.157.60000115.3A315 M319A315-S317 PolarHBondContact O-N 3.24Å; S317-M319 VanDerWaalsContact C-N 3.34Å
318T93.9Very high97.2Very high124 Ų12463.8 Ų63.876%0.76136%0.361SS*.THydrogen-bonded Turntrans-80.9-13.1174.753.80000113.5P316P316-T318 PolarHBondContact O-N 3.38Å
319M95.1Very high97.1Very high47 Ų4762.2 Ų62.223%0.23235%0.352CS..SBendtrans-84.9133.5-178.2-62.8-63.4177.800110.9K285 Y288 P316 S317 I321K285-M319 HydrophobicContact CB-SD 4.03Å; K285-M319 HydrophobicContact CG-SD 4.41Å; Y288-M319 HydrophobicContact CD2-CB 3.88Å; Y288-M319 HydrophobicContact CD2-CG 3.68Å; Y288-M319 HydrophobicContact CD2-SD 3.97Å; Y288-M319 HydrophobicContact CE2-CB 4.37Å; Y288-M319 HydrophobicContact CE2-CG 3.89Å; Y288-M319 HydrophobicContact CE2-SD 4.47Å; Y288-M319 HydrophobicContact CG-CB 4.33Å; P316-M319 HydrophobicContact CB-CG 4.15Å; P316-M319 HydrophobicContact CG-CG 4.28Å; P316-M319 WeakPolarHBondContact O-CB 3.29Å; P316-M319 PolarHBondContact O-N 3.46Å; S317-M319 VanDerWaalsContact C-N 3.34Å; M319-I321 HydrophobicContact CB-CD1 3.96Å
320K96.4Very high97Very high164 Ų16462.6 Ų62.671%0.71335%0.353SS*.  trans-88.9110.9170.9-176.8177.8-179.6176.90109.1Y288 A289Y288-K320 CarbonylContact C-O 3.55Å; A289-K320 PolarHBondContact N-O 3.39Å
321I98.1Very high97Very high17 Ų1763.4 Ų63.49%0.08736%0.355CS..  trans-87.9130.1178.6-48.2-46.4000109.3Y288 Q308 I311 A315 M319 I323Y288-I321 HydrophobicContact CD1-CD1 3.37Å; Y288-I321 HydrophobicContact CD2-CD1 4.35Å; Y288-I321 HydrophobicContact CE1-CD1 4.07Å; Y288-I321 HydrophobicContact CG-CD1 3.53Å; Q308-I321 PolarHBondContact NE2-O 3.13Å; Q308-I321 PolarHBondContact OE1-O 3.49Å; I311-I321 HydrophobicContact CB-CG2 4.01Å; I311-I321 HydrophobicContact CG2-CD1 4.09Å; I311-I321 HydrophobicContact CG2-CG1 4.18Å; I311-I321 HydrophobicContact CG2-CG2 3.58Å; A315-I321 HydrophobicContact CB-CD1 3.64Å; A315-I321 HydrophobicContact CB-CG1 4.26Å; M319-I321 HydrophobicContact CB-CD1 3.96Å; I321-I323 HydrophobicContact CG2-CD1 4.25Å
322K98.4Very high97Very high99 Ų9963.4 Ų63.443%0.4336%0.356SS..  trans-137.1114.7173.4-179.2-175.7179.2-178.70110.2Y288 A289 T291 I324Y288-K322 PolarHBondContact O-N 3.38Å; A289-K322 WeakPolarHBondContact O-CB 3.1Å; T291-K322 PolarHBondContact N-O 3.1Å; K322-I324 HydrophobicContact CD-CG1 4.34Å; K322-I324 HydrophobicContact CG-CG1 4.25Å
323I98.6Very high97Very high21 Ų2160.3 Ų60.311%0.10834%0.336CS..EExtended strand (participates in β ladder)trans-86.1128170.4-50.1-52.7000109.6T291 L293 A304 M307 Q308 I311 I321T291-I323 HydrophobicContact CG2-CD1 3.69Å; T291-I323 CarbonylContact O-C 3.54Å; T291-I323 WeakPolarHBondContact O-CA 3.5Å; L293-I323 HydrophobicContact CD1-CG2 3.76Å; L293-I323 HydrophobicContact CD2-CG2 4.14Å; L293-I323 HydrophobicContact CG-CG2 3.73Å; A304-I323 HydrophobicContact CB-CG2 4.09Å; M307-I323 HydrophobicContact CB-CD1 4.18Å; M307-I323 HydrophobicContact CB-CG1 4.14Å; M307-I323 HydrophobicContact CB-CG2 4.47Å; Q308-I323 HydrophobicContact CB-CG1 3.76Å; I311-I323 HydrophobicContact CD1-CD1 4.07Å; I321-I323 HydrophobicContact CG2-CD1 4.25Å
324I98.3Very high97Very high22 Ų2256.5 Ų56.511%0.11331%0.305CS..EExtended strand (participates in β ladder)trans-112.6118.2179-61.2151.8000107.2R148 N290 T291 V292 L293 K322 P326R148-I324 VanDerWaalsContact CZ-CD1 3.43Å; R148-I324 VanDerWaalsContact NE-CD1 3.25Å; N290-I324 HydrophobicContact CB-CD1 4.36Å; T291-I324 PolarHBondContact O-N 3.48Å; V292-I324 WeakPolarHBondContact CA-O 3.35Å; V292-I324 HydrophobicContact CG2-CB 4.09Å; V292-I324 HydrophobicContact CG2-CD1 3.91Å; V292-I324 HydrophobicContact CG2-CG2 4.32Å; L293-I324 PolarHBondContact N-O 3.27Å; K322-I324 HydrophobicContact CD-CG1 4.34Å; K322-I324 HydrophobicContact CG-CG1 4.25Å; I324-P326 HydrophobicContact CG2-CG 4.44Å
325S97.7Very high97Very high46 Ų4654.9 Ų54.932%0.32230%0.296SS..  trans-126.884.1-177.648.10000110.1
326P96.7Very high97Very high15 Ų1554.3 Ų54.310%0.09729%0.292CS..  trans-53.3138.7176.4-23.633.9000110.8I324 E328 R329I324-P326 HydrophobicContact CG2-CG 4.44Å; P326-E328 PolarHBondContact O-N 2.97Å; P326-R329 HydrophobicContact CB-CB 4.17Å; P326-R329 HydrophobicContact CG-CB 4.46Å; P326-R329 WeakPolarHBondContact O-CB 3.45Å; P326-R329 WeakPolarHBondContact O-CD 3.24Å; P326-R329 WeakPolarHBondContact O-CG 3.34Å; P326-R329 PolarHBondContact O-N 2.68Å; P326-R329 VanDerWaalsContact O-N 3.1Å; P326-R329 PolarHBondContact O-NH1 2.88Å
327P96.6Very high97.1Very high104 Ų10451.5 Ų51.568%0.67527%0.273SS*.THydrogen-bonded Turntrans-56.6-38.4179.5-26.634.8000113R329P327-R329 VanDerWaalsContact C-N 3.31Å; P327-R329 PolarHBondContact O-N 2.8Å
328E95.3Very high97.3Very high86 Ų8645.5 Ų45.540%0.40223%0.231SC..THydrogen-bonded Turntrans-88.815.9179.565.8-69.3156.900113.7P326 K330 Y331 I335P326-E328 PolarHBondContact O-N 2.97Å; E328-K330 PolarHBondContact O-N 3.38Å; E328-Y331 WeakPolarHBondContact O-CA 3.41Å; E328-Y331 PolarHBondContact O-N 3.17Å; E328-I335 HydrophobicContact CB-CD1 4.24Å; E328-I335 HydrophobicContact CG-CD1 3.49Å; E328-I335 VanDerWaalsContact CG-CD1 3.49Å
329R97.2Very high97.4Very high28 Ų2842.5 Ų42.511%0.10621%0.21CC..G310 helixtrans-58.6-17.3-172.566.4-170.5172.6-78.40.4116.8L293 G295 T298 M299 P326 P327 Y331 S332L293-R329 WeakPolarHBondContact O-CB 3.49Å; G295-R329 PolarHBondContact N-O 3.37Å; G295-R329 VanDerWaalsContact N-O 3.1Å; T298-R329 VanDerWaalsContact O-CZ 3.28Å; T298-R329 PolarHBondContact O-NE 3.24Å; T298-R329 PolarHBondContact O-NH2 2.95Å; T298-R329 WeakPolarHBondContact OG1-CD 3.29Å; T298-R329 PolarHBondContact OG1-NE 3.11Å; M299-R329 HydrophobicContact SD-CG 3.48Å; M299-R329 WeakPolarHBondContact SD-CG 3.36Å; P326-R329 HydrophobicContact CB-CB 4.17Å; P326-R329 HydrophobicContact CG-CB 4.46Å; P326-R329 WeakPolarHBondContact O-CB 3.45Å; P326-R329 WeakPolarHBondContact O-CD 3.24Å; P326-R329 WeakPolarHBondContact O-CG 3.34Å; P326-R329 PolarHBondContact O-N 2.68Å; P326-R329 VanDerWaalsContact O-N 3.1Å; P326-R329 PolarHBondContact O-NH1 2.88Å; P327-R329 VanDerWaalsContact C-N 3.31Å; P327-R329 PolarHBondContact O-N 2.8Å; R329-Y331 PolarHBondContact O-N 3.29Å; R329-S332 VanDerWaalsContact CA-OG 3.3Å; R329-S332 WeakPolarHBondContact CA-OG 3.41Å; R329-S332 PolarHBondContact O-N 3.01Å
330K96.8Very high97.4Very high87 Ų8741.9 Ų41.938%0.37821%0.208SC..G310 helixtrans-61-20.5166.857.9168.5175.1168.20113.4K19 M299 E328K19-K330 WeakPolarHBondContact CE-O 3.26Å; M299-K330 HydrophobicContact CE-CG 4.43Å; M299-K330 HydrophobicContact CG-CB 3.99Å; M299-K330 HydrophobicContact SD-CB 4Å; M299-K330 HydrophobicContact SD-CG 4.29Å; E328-K330 PolarHBondContact O-N 3.38Å
331Y97.7Very high97.4Very high57 Ų5734.2 Ų34.222%0.22418%0.175CC..G310 helixtrans-115.73.5-179.9-52.7-34.4000113K19 P28 V31 E328 R329 V333 W334 I335K19-Y331 HydrophobicContact CD-CD1 3.75Å; K19-Y331 HydrophobicContact CD-CE1 4.34Å; P28-Y331 HydrophobicContact CG-CD1 4.39Å; P28-Y331 HydrophobicContact CG-CG 4.41Å; V31-Y331 HydrophobicContact CG2-CE1 4.23Å; E328-Y331 WeakPolarHBondContact O-CA 3.41Å; E328-Y331 PolarHBondContact O-N 3.17Å; R329-Y331 PolarHBondContact O-N 3.29Å; Y331-V333 VanDerWaalsContact C-N 3.26Å; Y331-V333 PolarHBondContact O-N 3.26Å; Y331-W334 PolarHBondContact O-N 3.28Å; Y331-I335 WeakPolarHBondContact O-CG1 3.42Å; Y331-I335 PolarHBondContact O-N 2.89Å
332S98.1Very high97.1Very high1 Ų136.4 Ų36.41%0.00719%0.192CC..Hα-helixtrans-52-42.3-175.8-82.50000113.5A145 R329 W334 I335 G336A145-S332 VanDerWaalsContact CB-O 3.27Å; A145-S332 WeakPolarHBondContact CB-O 3.47Å; R329-S332 VanDerWaalsContact CA-OG 3.3Å; R329-S332 WeakPolarHBondContact CA-OG 3.41Å; R329-S332 PolarHBondContact O-N 3.01Å; S332-W334 PolarHBondContact O-N 2.91Å; S332-I335 PolarHBondContact O-N 2.81Å; S332-G336 PolarHBondContact O-N 3.07Å
333V98.3Very high96.9Very high8 Ų834.2 Ų34.25%0.04818%0.184CC..Hα-helixtrans-55.5-52.5175.9176.70000111.3D12 T107 Q138 L141 S142 Y331 G336 G337D12-V333 HydrophobicContact CB-CG1 4.17Å; D12-V333 VanDerWaalsContact CG-CG1 3.5Å; D12-V333 VanDerWaalsContact OD1-CG1 3.29Å; D12-V333 WeakPolarHBondContact OD1-CG1 3.29Å; T107-V333 HydrophobicContact CG2-CG1 3.8Å; Q138-V333 HydrophobicContact CB-CG1 3.9Å; Q138-V333 HydrophobicContact CB-CG2 3.94Å; Q138-V333 HydrophobicContact CG-CG1 3.78Å; Q138-V333 HydrophobicContact CG-CG2 4.46Å; L141-V333 WeakPolarHBondContact CB-O 3.42Å; L141-V333 HydrophobicContact CD1-CG1 4.33Å; S142-V333 WeakPolarHBondContact OG-CA 3.49Å; S142-V333 WeakPolarHBondContact OG-CG2 3.33Å; S142-V333 PolarHBondContact OG-N 3.46Å; Y331-V333 VanDerWaalsContact C-N 3.26Å; Y331-V333 PolarHBondContact O-N 3.26Å; V333-G336 PolarHBondContact O-N 3.04Å; V333-G337 PolarHBondContact O-N 3.35Å
334W98.6Very high96.4Very high0 Ų038.1 Ų38.10%021%0.213CC..Hα-helixtrans-67.5-42.4-177.3-176.191.3000111.2V10 D12 K19 D25 A27 P28 Y331 S332 G336 G337 S338V10-W334 HydrophobicContact CG1-CG 4.3Å; V10-W334 PolarHBondContact O-NE1 2.88Å; D12-W334 HydrophobicContact CB-CB 4.19Å; K19-W334 HydrophobicContact CB-CB 4.41Å; K19-W334 HydrophobicContact CB-CG 4.35Å; D25-W334 HydrophobicContact CB-CH2 3.86Å; D25-W334 WeakPolarHBondContact O-CH2 3.32Å; D25-W334 WeakPolarHBondContact O-CZ3 3.45Å; A27-W334 VanDerWaalsContact C-CH2 3.42Å; A27-W334 VanDerWaalsContact O-CH2 3.29Å; A27-W334 WeakPolarHBondContact O-CH2 3.39Å; P28-W334 HydrophobicContact CB-CD2 3.76Å; P28-W334 HydrophobicContact CB-CE3 4.22Å; P28-W334 HydrophobicContact CB-CG 4.04Å; P28-W334 HydrophobicContact CB-CZ2 4.42Å; P28-W334 HydrophobicContact CG-CD2 4.3Å; P28-W334 HydrophobicContact CG-CE3 4.4Å; Y331-W334 PolarHBondContact O-N 3.28Å; S332-W334 PolarHBondContact O-N 2.91Å; W334-G336 VanDerWaalsContact C-N 3.31Å; W334-G336 PolarHBondContact O-N 3.26Å; W334-G337 CarbonylContact O-C 3.58Å; W334-G337 PolarHBondContact O-N 3.32Å; W334-G337 VanDerWaalsContact O-N 3.14Å; W334-S338 PolarHBondContact O-N 2.93Å
335I98.2Very high95.9Very high26 Ų2642.1 Ų42.113%0.13324%0.239CC..Hα-helixtrans-59.3-44.6176.4-67.1168000110.2A145 E328 Y331 S332 G337 S338 I339A145-I335 HydrophobicContact CB-CB 4.17Å; A145-I335 HydrophobicContact CB-CG2 3.95Å; E328-I335 HydrophobicContact CB-CD1 4.24Å; E328-I335 HydrophobicContact CG-CD1 3.49Å; E328-I335 VanDerWaalsContact CG-CD1 3.49Å; Y331-I335 WeakPolarHBondContact O-CG1 3.42Å; Y331-I335 PolarHBondContact O-N 2.89Å; S332-I335 PolarHBondContact O-N 2.81Å; I335-G337 VanDerWaalsContact C-N 3.31Å; I335-G337 PolarHBondContact O-N 3.46Å; I335-S338 WeakPolarHBondContact O-CB 3.48Å; I335-S338 PolarHBondContact O-N 2.83Å; I335-I339 HydrophobicContact CG2-CD1 3.92Å; I335-I339 HydrophobicContact CG2-CG1 4.46Å; I335-I339 WeakPolarHBondContact O-CG1 3.45Å; I335-I339 PolarHBondContact O-N 3.47Å
336G97.6Very high95.5Very high0 Ų040.5 Ų40.50%023%0.226CC..Hα-helixtrans-61-40.5176.400000112.8L141 S332 V333 W334 L340L141-G336 VanDerWaalsContact O-CA 3.28Å; L141-G336 WeakPolarHBondContact O-CA 3.42Å; S332-G336 PolarHBondContact O-N 3.07Å; V333-G336 PolarHBondContact O-N 3.04Å; W334-G336 VanDerWaalsContact C-N 3.31Å; W334-G336 PolarHBondContact O-N 3.26Å; G336-L340 VanDerWaalsContact O-CB 3.26Å; G336-L340 WeakPolarHBondContact O-CB 3.12Å; G336-L340 PolarHBondContact O-N 3.3Å
337G97.7Very high95Very high0 Ų044.2 Ų44.20%024%0.242CC..Hα-helixtrans-64.1-41.5172.900000112.8V333 W334 I335 L340 A341V333-G337 PolarHBondContact O-N 3.35Å; W334-G337 CarbonylContact O-C 3.58Å; W334-G337 PolarHBondContact O-N 3.32Å; W334-G337 VanDerWaalsContact O-N 3.14Å; I335-G337 VanDerWaalsContact C-N 3.31Å; I335-G337 PolarHBondContact O-N 3.46Å; G337-L340 PolarHBondContact O-N 2.89Å; G337-A341 VanDerWaalsContact O-CB 3.22Å; G337-A341 WeakPolarHBondContact O-CB 3.44Å; G337-A341 PolarHBondContact O-N 3.03Å
338S97.7Very high94.6Very high3 Ų347.2 Ų47.22%0.02125%0.247CC..Hα-helixtrans-60.8-48.1176.8-179.70000111.3G24 D25 W334 I335 S342G24-S338 PolarHBondContact N-O 3.1Å; G24-S338 PolarHBondContact N-OG 2.93Å; D25-S338 PolarHBondContact N-OG 3.27Å; D25-S338 PolarHBondContact O-OG 3.03Å; W334-S338 PolarHBondContact O-N 2.93Å; I335-S338 WeakPolarHBondContact O-CB 3.48Å; I335-S338 PolarHBondContact O-N 2.83Å; S338-S342 VanDerWaalsContact O-CB 3.32Å; S338-S342 WeakPolarHBondContact O-CB 3.4Å; S338-S342 PolarHBondContact O-N 3.12Å; S338-S342 VanDerWaalsContact O-N 3.17Å; S338-S342 PolarHBondContact O-OG 3.43Å
339I95.9Very high94.5Very high62 Ų6246.4 Ų46.432%0.31825%0.245SC..Hα-helixtrans-62.7-53.6176-60166000109.6Y144 I335 A341 S342 L343Y144-I339 HydrophobicContact CD1-CB 4.31Å; Y144-I339 HydrophobicContact CD1-CG2 4.19Å; Y144-I339 HydrophobicContact CE1-CB 4.06Å; Y144-I339 HydrophobicContact CE1-CG2 3.51Å; I335-I339 HydrophobicContact CG2-CD1 3.92Å; I335-I339 HydrophobicContact CG2-CG1 4.46Å; I335-I339 WeakPolarHBondContact O-CG1 3.45Å; I335-I339 PolarHBondContact O-N 3.47Å; I339-A341 PolarHBondContact O-N 3Å; I339-S342 PolarHBondContact O-N 3.18Å; I339-S342 VanDerWaalsContact O-N 3.12Å; I339-S342 PolarHBondContact O-OG 3.41Å; I339-L343 WeakPolarHBondContact O-CG 3.43Å; I339-L343 PolarHBondContact O-N 3.04Å
340L95.2Very high94.5Very high34 Ų3445.7 Ų45.718%0.17824%0.242CC..Hα-helixtrans-56.5-48-177.1-17865.3000112.7L105 L141 Y144 G336 G337 S342 L343 F346L105-L340 HydrophobicContact CD1-CD2 4.2Å; L141-L340 HydrophobicContact CD2-CB 4.33Å; L141-L340 HydrophobicContact CD2-CD2 3.6Å; Y144-L340 HydrophobicContact CD1-CB 4.34Å; Y144-L340 HydrophobicContact CE1-CB 4.31Å; G336-L340 VanDerWaalsContact O-CB 3.26Å; G336-L340 WeakPolarHBondContact O-CB 3.12Å; G336-L340 PolarHBondContact O-N 3.3Å; G337-L340 PolarHBondContact O-N 2.89Å; L340-S342 PolarHBondContact O-N 3.09Å; L340-L343 HydrophobicContact CD1-CD1 4.23Å; L340-L343 PolarHBondContact O-N 3.3Å; L340-F346 HydrophobicContact CD1-CD2 3.54Å; L340-F346 HydrophobicContact CD1-CE2 3.87Å; L340-F346 HydrophobicContact CD1-CG 4.17Å; L340-F346 HydrophobicContact CD2-CD2 4.22Å; L340-F346 HydrophobicContact CD2-CE2 3.68Å; L340-F346 HydrophobicContact CD2-CZ 3.98Å; L340-F346 HydrophobicContact CG-CD1 4.47Å; L340-F346 HydrophobicContact CG-CD2 3.66Å; L340-F346 HydrophobicContact CG-CE1 4.44Å; L340-F346 HydrophobicContact CG-CE2 3.63Å; L340-F346 HydrophobicContact CG-CG 4.09Å; L340-F346 HydrophobicContact CG-CZ 4.02Å; L340-F346 VanDerWaalsContact O-CB 3.23Å; L340-F346 WeakPolarHBondContact O-CB 3.42Å; L340-F346 WeakPolarHBondContact O-CG 3.31Å
341A95.7Very high94.5Very high3 Ų341.6 Ų41.63%0.02522%0.224CC..Hα-helixtrans-70.5-19.2-178.300000113.4A8 V10 A23 L105 G337 I339 W350A8-A341 HydrophobicContact CB-CB 4.15Å; V10-A341 HydrophobicContact CG2-CB 4.11Å; A23-A341 HydrophobicContact CB-CB 3.61Å; L105-A341 HydrophobicContact CD1-CB 4.19Å; G337-A341 VanDerWaalsContact O-CB 3.22Å; G337-A341 WeakPolarHBondContact O-CB 3.44Å; G337-A341 PolarHBondContact O-N 3.03Å; I339-A341 PolarHBondContact O-N 3Å; A341-W350 HydrophobicContact CB-CH2 4.21Å; A341-W350 HydrophobicContact CB-CZ2 4.05Å
342S93.7Very high94.5Very high63 Ų6340.7 Ų40.744%0.44123%0.226SC..Hα-helixtrans-82.2-13.5175.673.90000113.8S338 I339 L340S338-S342 VanDerWaalsContact O-CB 3.32Å; S338-S342 WeakPolarHBondContact O-CB 3.4Å; S338-S342 PolarHBondContact O-N 3.12Å; S338-S342 VanDerWaalsContact O-N 3.17Å; S338-S342 PolarHBondContact O-OG 3.43Å; I339-S342 PolarHBondContact O-N 3.18Å; I339-S342 VanDerWaalsContact O-N 3.12Å; I339-S342 PolarHBondContact O-OG 3.41Å; L340-S342 PolarHBondContact O-N 3.09Å
343L92.6Very high94.5Very high52 Ų5244 Ų4427%0.27224%0.24SC..  trans-73.8131.1-178.8-59.1172.3000111.4Y144 I339 L340 T345 F346Y144-L343 HydrophobicContact CE1-CD1 4.26Å; Y144-L343 VanDerWaalsContact OH-CD1 3.24Å; Y144-L343 WeakPolarHBondContact OH-CD1 3.5Å; I339-L343 WeakPolarHBondContact O-CG 3.43Å; I339-L343 PolarHBondContact O-N 3.04Å; L340-L343 HydrophobicContact CD1-CD1 4.23Å; L340-L343 PolarHBondContact O-N 3.3Å; L343-T345 PolarHBondContact O-N 3.04Å; L343-F346 HydrophobicContact CB-CB 4.01Å; L343-F346 WeakPolarHBondContact O-CB 3.45Å; L343-F346 PolarHBondContact O-N 3.5Å
344S88.6Confident94.5Very high103 Ų10349.9 Ų49.972%0.7227%0.267SS*.G310 helixtrans-60.6-33.6173.556.60000112.6F346 Q347S344-F346 VanDerWaalsContact C-N 3.27Å; S344-F346 PolarHBondContact O-N 3.29Å; S344-Q347 WeakPolarHBondContact O-CB 3.31Å; S344-Q347 WeakPolarHBondContact O-CG 3.36Å; S344-Q347 PolarHBondContact O-N 2.88Å
345T88.2Confident94.4Very high107 Ų10752.3 Ų52.366%0.65628%0.278SS*.G310 helixtrans-69.3-23.7176.151.50000113.2L343 Q347L343-T345 PolarHBondContact O-N 3.04Å; T345-Q347 VanDerWaalsContact C-N 3.26Å; T345-Q347 PolarHBondContact O-N 3.27Å
346F89.8Confident94.4Very high11 Ų1151.5 Ų51.55%0.04827%0.274CS..G310 helixtrans-75.7-16.7178-172.1-105.8000112.4L105 Y134 L340 L343 S344 Q348 M349 W350L105-F346 HydrophobicContact CD1-CE1 4.2Å; L105-F346 HydrophobicContact CD1-CZ 4.16Å; Y134-F346 HydrophobicContact CD1-CE2 4.31Å; Y134-F346 AromaticContact CD1-CZ 3.63Å; Y134-F346 HydrophobicContact CD1-CZ 3.63Å; Y134-F346 HydrophobicContact CD2-CE2 4.41Å; Y134-F346 AromaticContact CD2-CZ 3.89Å; Y134-F346 HydrophobicContact CD2-CZ 3.89Å; Y134-F346 HydrophobicContact CE1-CE2 4.21Å; Y134-F346 AromaticContact CE1-CZ 3.99Å; Y134-F346 HydrophobicContact CE1-CZ 3.99Å; Y134-F346 HydrophobicContact CE2-CE2 4.32Å; Y134-F346 HydrophobicContact CE2-CZ 4.24Å; Y134-F346 HydrophobicContact CG-CE1 4.39Å; Y134-F346 HydrophobicContact CG-CE2 4.41Å; Y134-F346 AromaticContact CG-CZ 3.58Å; Y134-F346 HydrophobicContact CG-CZ 3.58Å; L340-F346 HydrophobicContact CD1-CD2 3.54Å; L340-F346 HydrophobicContact CD1-CE2 3.87Å; L340-F346 HydrophobicContact CD1-CG 4.17Å; L340-F346 HydrophobicContact CD2-CD2 4.22Å; L340-F346 HydrophobicContact CD2-CE2 3.68Å; L340-F346 HydrophobicContact CD2-CZ 3.98Å; L340-F346 HydrophobicContact CG-CD1 4.47Å; L340-F346 HydrophobicContact CG-CD2 3.66Å; L340-F346 HydrophobicContact CG-CE1 4.44Å; L340-F346 HydrophobicContact CG-CE2 3.63Å; L340-F346 HydrophobicContact CG-CG 4.09Å; L340-F346 HydrophobicContact CG-CZ 4.02Å; L340-F346 VanDerWaalsContact O-CB 3.23Å; L340-F346 WeakPolarHBondContact O-CB 3.42Å; L340-F346 WeakPolarHBondContact O-CG 3.31Å; L343-F346 HydrophobicContact CB-CB 4.01Å; L343-F346 WeakPolarHBondContact O-CB 3.45Å; L343-F346 PolarHBondContact O-N 3.5Å; S344-F346 VanDerWaalsContact C-N 3.27Å; S344-F346 PolarHBondContact O-N 3.29Å; F346-Q348 PolarHBondContact O-N 2.74Å; F346-M349 HydrophobicContact CD2-CB 3.89Å; F346-M349 HydrophobicContact CD2-CG 4.04Å; F346-M349 HydrophobicContact CE2-CB 3.8Å; F346-M349 HydrophobicContact CE2-CG 4.27Å; F346-M349 HydrophobicContact CG-CB 4.48Å; F346-M349 HydrophobicContact CZ-CB 4.33Å; F346-M349 WeakPolarHBondContact O-CB 3.29Å; F346-M349 PolarHBondContact O-N 3.23Å; F346-W350 HydrophobicContact CD1-CD2 4.46Å; F346-W350 AromaticContact CD1-CE2 3.82Å; F346-W350 AromaticContact CD1-CZ2 3.92Å; F346-W350 HydrophobicContact CD1-CZ2 3.92Å; F346-W350 AromaticContact CD1-NE1 3.96Å; F346-W350 HydrophobicContact CE1-CD2 4.03Å; F346-W350 AromaticContact CE1-CE2 3.69Å; F346-W350 HydrophobicContact CE1-CE3 4.29Å; F346-W350 AromaticContact CE1-CH2 3.96Å; F346-W350 HydrophobicContact CE1-CH2 3.96Å; F346-W350 AromaticContact CE1-CZ2 3.65Å; F346-W350 HydrophobicContact CE1-CZ2 3.65Å; F346-W350 HydrophobicContact CE1-CZ3 4.26Å
347Q86Confident94.4Very high93 Ų9356.9 Ų56.944%0.43530%0.303SS..G310 helixtrans-59-24.9-177-61.9-57.9-3200113.8S344 T345 M349 W350S344-Q347 WeakPolarHBondContact O-CB 3.31Å; S344-Q347 WeakPolarHBondContact O-CG 3.36Å; S344-Q347 PolarHBondContact O-N 2.88Å; T345-Q347 VanDerWaalsContact C-N 3.26Å; T345-Q347 PolarHBondContact O-N 3.27Å; Q347-M349 VanDerWaalsContact C-N 3.35Å; Q347-W350 VanDerWaalsContact OE1-NE1 3.1Å
348Q88.7Confident94.4Very high168 Ų16863.4 Ų63.479%0.78533%0.333SS*.G310 helixtrans-80.9-14.5177.6-60.9-178.80.200113.8F346F346-Q348 PolarHBondContact O-N 2.74Å
349M93.1Very high94.4Very high69 Ų6965.3 Ų65.334%0.3435%0.346SS..THydrogen-bonded Turntrans-87.1-21.5-176.5-64.7-57.9-62.100113Y134 F346 Q347Y134-M349 HydrophobicContact CD2-CB 4.39Å; Y134-M349 WeakPolarHBondContact CD2-O 3.36Å; Y134-M349 HydrophobicContact CE2-CB 4.12Å; Y134-M349 HydrophobicContact CE2-CE 4.39Å; F346-M349 HydrophobicContact CD2-CB 3.89Å; F346-M349 HydrophobicContact CD2-CG 4.04Å; F346-M349 HydrophobicContact CE2-CB 3.8Å; F346-M349 HydrophobicContact CE2-CG 4.27Å; F346-M349 HydrophobicContact CG-CB 4.48Å; F346-M349 HydrophobicContact CZ-CB 4.33Å; F346-M349 WeakPolarHBondContact O-CB 3.29Å; F346-M349 PolarHBondContact O-N 3.23Å; Q347-M349 VanDerWaalsContact C-N 3.35Å
350W96.4Very high94.5Very high13 Ų1363.4 Ų63.45%0.04934%0.342CS..SBendtrans-53.9142.5176.6-66.4119.1000111.6A8 P103 L105 A132 A341 F346 Q347A8-W350 HydrophobicContact CB-CH2 3.91Å; A8-W350 HydrophobicContact CB-CZ2 3.72Å; P103-W350 HydrophobicContact CB-CD2 4.42Å; P103-W350 HydrophobicContact CB-CE3 4.45Å; P103-W350 HydrophobicContact CB-CH2 4.17Å; P103-W350 HydrophobicContact CB-CZ2 4.13Å; P103-W350 HydrophobicContact CB-CZ3 4.34Å; L105-W350 HydrophobicContact CB-CH2 3.85Å; L105-W350 HydrophobicContact CB-CZ3 4.1Å; A132-W350 HydrophobicContact CB-CB 4.09Å; A132-W350 HydrophobicContact CB-CG 4.45Å; A341-W350 HydrophobicContact CB-CH2 4.21Å; A341-W350 HydrophobicContact CB-CZ2 4.05Å; F346-W350 HydrophobicContact CD1-CD2 4.46Å; F346-W350 AromaticContact CD1-CE2 3.82Å; F346-W350 AromaticContact CD1-CZ2 3.92Å; F346-W350 HydrophobicContact CD1-CZ2 3.92Å; F346-W350 AromaticContact CD1-NE1 3.96Å; F346-W350 HydrophobicContact CE1-CD2 4.03Å; F346-W350 AromaticContact CE1-CE2 3.69Å; F346-W350 HydrophobicContact CE1-CE3 4.29Å; F346-W350 AromaticContact CE1-CH2 3.96Å; F346-W350 HydrophobicContact CE1-CH2 3.96Å; F346-W350 AromaticContact CE1-CZ2 3.65Å; F346-W350 HydrophobicContact CE1-CZ2 3.65Å; F346-W350 HydrophobicContact CE1-CZ3 4.26Å; Q347-W350 VanDerWaalsContact OE1-NE1 3.1Å
351I97.8Very high94.6Very high0 Ų063.4 Ų63.40%034%0.344CS..EExtended strand (participates in β ladder)trans-84.8117.2163.2-58.5161.6000105.5F125 A132 M133 E355 I363 V364 K367F125-I351 HydrophobicContact CE2-CG2 3.87Å; F125-I351 HydrophobicContact CZ-CB 4.39Å; F125-I351 HydrophobicContact CZ-CG2 3.9Å; F125-I351 WeakPolarHBondContact CZ-O 3.34Å; A132-I351 CarbonylContact C-O 3.54Å; A132-I351 WeakPolarHBondContact CA-O 3.46Å; A132-I351 WeakPolarHBondContact CB-O 3.37Å; M133-I351 HydrophobicContact CG-CB 4.48Å; M133-I351 PolarHBondContact N-O 2.72Å; M133-I351 WeakPolarHBondContact O-CB 3.4Å; M133-I351 PolarHBondContact O-N 3.22Å; I351-E355 HydrophobicContact CG2-CB 4.48Å; I351-I363 HydrophobicContact CD1-CG2 4.37Å; I351-I363 HydrophobicContact CG2-CG1 4.14Å; I351-I363 HydrophobicContact CG2-CG2 3.6Å; I351-V364 HydrophobicContact CD1-CB 4.17Å; I351-V364 HydrophobicContact CD1-CG2 4.17Å; I351-K367 HydrophobicContact CD1-CB 4.14Å; I351-K367 HydrophobicContact CG1-CB 3.67Å; I351-K367 HydrophobicContact CG1-CG 4.02Å
352S97.4Very high94.6Very high38 Ų3865.6 Ų65.627%0.26636%0.359SS..EExtended strand (participates in β ladder)trans-82.4157.9174.762.60000111.8Q354 E355 Y356S352-Q354 PolarHBondContact O-N 3.15Å; S352-E355 PolarHBondContact N-OE2 3.43Å; S352-E355 PolarHBondContact O-N 3.33Å; S352-E355 VanDerWaalsContact O-N 3.12Å; S352-E355 WeakPolarHBondContact OG-CG 3.4Å; S352-E355 PolarHBondContact OG-N 3.11Å; S352-E355 PolarHBondContact OG-OE2 3.22Å; S352-Y356 PolarHBondContact O-N 3.36Å
353K97.3Very high94.8Very high72 Ų7263.1 Ų63.131%0.31334%0.341SS..Hα-helixtrans-55.2-37.2172.8-172.4168.5-1721650112.5F125 N129 P131 Y356 D357F125-K353 HydrophobicContact CD1-CB 4.02Å; F125-K353 HydrophobicContact CD1-CG 4.12Å; F125-K353 VanDerWaalsContact CE1-CA 3.43Å; F125-K353 HydrophobicContact CE1-CB 3.9Å; F125-K353 HydrophobicContact CE1-CG 4.49Å; N129-K353 PolarHBondContact OD1-NZ 3.01Å; P131-K353 PolarHBondContact O-N 3.16Å; K353-Y356 WeakPolarHBondContact O-CB 3.47Å; K353-Y356 PolarHBondContact O-N 3.31Å; K353-D357 PolarHBondContact O-N 3.28Å
354Q97.4Very high95Very high131 Ų13160.6 Ų60.661%0.61233%0.328SS*.Hα-helixtrans-62.6-47.5175.3-176.4-175.5-12.600112.2S352 Y356 D357 E358S352-Q354 PolarHBondContact O-N 3.15Å; Q354-Y356 PolarHBondContact O-N 3.01Å; Q354-D357 PolarHBondContact O-N 2.95Å; Q354-E358 PolarHBondContact NE2-OE1 3.15Å; Q354-E358 WeakPolarHBondContact O-CG 3.33Å; Q354-E358 PolarHBondContact O-N 3.05Å
355E97.8Very high95.4Very high50 Ų5057.8 Ų57.823%0.23430%0.303CS..Hα-helixtrans-62.8-35177.6-73.4166.5121.300111.8I351 S352 S359 I363 K367I351-E355 HydrophobicContact CG2-CB 4.48Å; S352-E355 PolarHBondContact N-OE2 3.43Å; S352-E355 PolarHBondContact O-N 3.33Å; S352-E355 VanDerWaalsContact O-N 3.12Å; S352-E355 WeakPolarHBondContact OG-CG 3.4Å; S352-E355 PolarHBondContact OG-N 3.11Å; S352-E355 PolarHBondContact OG-OE2 3.22Å; E355-S359 WeakPolarHBondContact O-CB 3.42Å; E355-S359 PolarHBondContact O-N 3.4Å; E355-I363 HydrophobicContact CB-CG1 4.47Å; E355-K367 WeakPolarHBondContact OE1-CE 3.2Å; E355-K367 IonicContact OE1-NZ 2.93Å; E355-K367 PolarHBondContact OE1-NZ 3.02Å; E355-K367 IonicContact OE2-NZ 3.92Å
356Y98.1Very high95.6Very high10 Ų1060.8 Ų60.84%0.03930%0.302CS..Hα-helixtrans-64-49.1172.3175.8-97.5000112T121 F125 E126 S352 K353 Q354 E358 S359 G360 P361T121-Y356 HydrophobicContact CG2-CD2 3.73Å; T121-Y356 HydrophobicContact CG2-CE2 3.89Å; F125-Y356 HydrophobicContact CB-CD1 3.64Å; F125-Y356 HydrophobicContact CB-CD2 4.33Å; F125-Y356 HydrophobicContact CB-CE1 3.73Å; F125-Y356 HydrophobicContact CB-CE2 4.37Å; F125-Y356 HydrophobicContact CB-CG 3.96Å; F125-Y356 HydrophobicContact CD1-CG 4.45Å; F125-Y356 AromaticContact CD2-CD1 3.96Å; F125-Y356 HydrophobicContact CD2-CD1 3.96Å; F125-Y356 AromaticContact CD2-CD2 3.33Å; F125-Y356 HydrophobicContact CD2-CD2 3.33Å; F125-Y356 AromaticContact CD2-CE2 3.94Å; F125-Y356 HydrophobicContact CD2-CE2 3.94Å; F125-Y356 AromaticContact CD2-CG 3.32Å; F125-Y356 HydrophobicContact CD2-CG 3.32Å; F125-Y356 AromaticContact CE2-CD2 3.87Å; F125-Y356 HydrophobicContact CE2-CD2 3.87Å; F125-Y356 AromaticContact CE2-CG 3.84Å; F125-Y356 HydrophobicContact CE2-CG 3.84Å; F125-Y356 AromaticContact CG-CD1 3.83Å; F125-Y356 HydrophobicContact CG-CD1 3.83Å; F125-Y356 HydrophobicContact CG-CD2 4.07Å; F125-Y356 HydrophobicContact CG-CE1 4.37Å; F125-Y356 AromaticContact CG-CG 3.67Å; F125-Y356 HydrophobicContact CG-CG 3.67Å; E126-Y356 HydrophobicContact CG-CE1 4.09Å; E126-Y356 PolarHBondContact OE1-OH 2.97Å; S352-Y356 PolarHBondContact O-N 3.36Å; K353-Y356 WeakPolarHBondContact O-CB 3.47Å; K353-Y356 PolarHBondContact O-N 3.31Å; Q354-Y356 PolarHBondContact O-N 3.01Å; Y356-E358 PolarHBondContact O-N 3.12Å; Y356-S359 PolarHBondContact O-N 3.25Å; Y356-G360 WeakPolarHBondContact O-CA 3.24Å; Y356-G360 PolarHBondContact O-N 3.26Å; Y356-P361 HydrophobicContact CE2-CB 4.3Å; Y356-P361 HydrophobicContact CE2-CG 3.84Å
357D97.9Very high95.8Very high113 Ų11362.7 Ų62.760%0.60431%0.31SS*.Hα-helixtrans-60.3-31.4179.7-67.2-23.8000111.7K353 Q354K353-D357 PolarHBondContact O-N 3.28Å; Q354-D357 PolarHBondContact O-N 2.95Å
358E97.6Very high96.1Very high137 Ų13758.3 Ų58.364%0.6429%0.29SS*.Hα-helixtrans-79.9-37.4177.9-70.7174.7-16600114.1Q354 Y356Q354-E358 PolarHBondContact NE2-OE1 3.15Å; Q354-E358 WeakPolarHBondContact O-CG 3.33Å; Q354-E358 PolarHBondContact O-N 3.05Å; Y356-E358 PolarHBondContact O-N 3.12Å
359S97.3Very high95.8Very high43 Ų4358 Ų5830%0.30129%0.287SS..Hα-helixtrans-114.8-8.8-169.9-660000115E355 Y356 S362E355-S359 WeakPolarHBondContact O-CB 3.42Å; E355-S359 PolarHBondContact O-N 3.4Å; Y356-S359 PolarHBondContact O-N 3.25Å; S359-S362 PolarHBondContact O-OG 2.83Å
360G97.5Very high95.9Very high21 Ų2157.5 Ų57.522%0.21628%0.284CS..  trans62-168.1-170.800000113.8Y356 S362 I363Y356-G360 WeakPolarHBondContact O-CA 3.24Å; Y356-G360 PolarHBondContact O-N 3.26Å; G360-S362 PolarHBondContact O-N 2.83Å; G360-I363 VanDerWaalsContact O-CG2 3.24Å; G360-I363 WeakPolarHBondContact O-CG2 3.4Å; G360-I363 PolarHBondContact O-N 2.87Å
361P97.2Very high95.9Very high35 Ų3559.8 Ų59.823%0.22730%0.296CS..G310 helixtrans-55.4-27.9-176.6-27.934000115.5E118 Q122 Y356 I363 V364E118-P361 HydrophobicContact CB-CB 3.76Å; E118-P361 HydrophobicContact CG-CB 4.1Å; Q122-P361 HydrophobicContact CB-CG 4.13Å; Q122-P361 HydrophobicContact CG-CG 4.49Å; Y356-P361 HydrophobicContact CE2-CB 4.3Å; Y356-P361 HydrophobicContact CE2-CG 3.84Å; P361-I363 PolarHBondContact O-N 2.84Å; P361-I363 VanDerWaalsContact O-N 3.11Å; P361-V364 WeakPolarHBondContact O-CG1 3.18Å; P361-V364 PolarHBondContact O-N 3.01Å
362S97.3Very high95.8Very high48 Ų4863.2 Ų63.234%0.33631%0.313SS..G310 helixtrans-64.1-15.7-177.174.80000114.4S359 G360 V364 H365S359-S362 PolarHBondContact O-OG 2.83Å; G360-S362 PolarHBondContact O-N 2.83Å; S362-V364 PolarHBondContact O-N 3.33Å; S362-V364 VanDerWaalsContact O-N 3.15Å; S362-H365 PolarHBondContact O-CD2 2.7Å; S362-H365 PolarHBondContact O-N 3.23Å; S362-H365 VanDerWaalsContact O-N 3.16Å
363I97.3Very high95.7Very high11 Ų1164.6 Ų64.66%0.05632%0.316CS..G310 helixtrans-55.6-29.9176.3-170.157.3000112.6T121 I351 E355 G360 P361 H365 R366 K367T121-I363 HydrophobicContact CG2-CG2 4.45Å; I351-I363 HydrophobicContact CD1-CG2 4.37Å; I351-I363 HydrophobicContact CG2-CG1 4.14Å; I351-I363 HydrophobicContact CG2-CG2 3.6Å; E355-I363 HydrophobicContact CB-CG1 4.47Å; G360-I363 VanDerWaalsContact O-CG2 3.24Å; G360-I363 WeakPolarHBondContact O-CG2 3.4Å; G360-I363 PolarHBondContact O-N 2.87Å; P361-I363 PolarHBondContact O-N 2.84Å; P361-I363 VanDerWaalsContact O-N 3.11Å; I363-H365 PolarHBondContact O-N 3.3Å; I363-H365 VanDerWaalsContact O-N 3.15Å; I363-R366 HydrophobicContact CD1-CB 4.45Å; I363-R366 PolarHBondContact O-N 2.9Å; I363-K367 HydrophobicContact CD1-CG 4.36Å; I363-K367 HydrophobicContact CG1-CG 4.37Å; I363-K367 PolarHBondContact O-N 3.19Å
364V97.2Very high95.6Very high0 Ų064.2 Ų64.20%032%0.316CS..Hα-helixtrans-56.8-32.8179.773.40000112.6R117 E118 T121 V135 I351 P361 S362 R366 C368R117-V364 HydrophobicContact CB-CG1 3.82Å; R117-V364 HydrophobicContact CB-CG2 4.38Å; R117-V364 PolarHBondContact NH2-O 3.24Å; E118-V364 HydrophobicContact CG-CG1 4.38Å; T121-V364 WeakPolarHBondContact OG1-CB 3.32Å; V135-V364 HydrophobicContact CB-CG2 4.33Å; V135-V364 HydrophobicContact CG2-CG2 4.01Å; I351-V364 HydrophobicContact CD1-CB 4.17Å; I351-V364 HydrophobicContact CD1-CG2 4.17Å; P361-V364 WeakPolarHBondContact O-CG1 3.18Å; P361-V364 PolarHBondContact O-N 3.01Å; S362-V364 PolarHBondContact O-N 3.33Å; S362-V364 VanDerWaalsContact O-N 3.15Å; V364-R366 VanDerWaalsContact C-N 3.27Å; V364-R366 PolarHBondContact O-N 3.18Å; V364-C368 HydrophobicContact CG2-CB 4.26Å; V364-C368 WeakPolarHBondContact O-CB 3.38Å; V364-C368 PolarHBondContact O-N 3.07Å
365H95.8Very high95.5Very high44 Ų4459.7 Ų59.720%0.20430%0.296CS..Hα-helixtrans-75.6-14.8179.7-55-52.3000113.7K114 E118 S362 I363K114-H365 VanDerWaalsContact CB-CE1 3.47Å; K114-H365 WeakPolarHBondContact CB-CE1 3.35Å; K114-H365 PolarHBondContact O-CE1 3.19Å; E118-H365 WeakPolarHBondContact CG-NE2 3.46Å; E118-H365 IonicContact OE1-CD2 3.9Å; E118-H365 PolarHBondContact OE1-CD2 3.31Å; E118-H365 IonicContact OE1-CE1 2.74Å; E118-H365 IonicContact OE1-NE2 2.7Å; E118-H365 PolarHBondContact OE1-NE2 3.49Å; S362-H365 PolarHBondContact O-CD2 2.7Å; S362-H365 PolarHBondContact O-N 3.23Å; S362-H365 VanDerWaalsContact O-N 3.16Å; I363-H365 PolarHBondContact O-N 3.3Å; I363-H365 VanDerWaalsContact O-N 3.15Å
366R93.4Very high95.3Very high169 Ų16960.4 Ų60.464%0.63830%0.301SS*.Hα-helixtrans-97.2-25.5179.1-61-176.1-174167.73.8112.8I363 V364 F369I363-R366 HydrophobicContact CD1-CB 4.45Å; I363-R366 PolarHBondContact O-N 2.9Å; V364-R366 VanDerWaalsContact C-N 3.27Å; V364-R366 PolarHBondContact O-N 3.18Å; R366-F369 WeakPolarHBondContact O-CE2 3.06Å; R366-F369 WeakPolarHBondContact O-CZ 3.4Å
367K93.2Very high95.1Very high51 Ų5164.3 Ų64.322%0.22232%0.321CS..Hα-helixtrans-106.5-34.1-173-77.2-80.3-167.6139.90113.5Y134 I351 E355 I363Y134-K367 WeakPolarHBondContact CE2-O 3.36Å; I351-K367 HydrophobicContact CD1-CB 4.14Å; I351-K367 HydrophobicContact CG1-CB 3.67Å; I351-K367 HydrophobicContact CG1-CG 4.02Å; E355-K367 WeakPolarHBondContact OE1-CE 3.2Å; E355-K367 IonicContact OE1-NZ 2.93Å; E355-K367 PolarHBondContact OE1-NZ 3.02Å; E355-K367 IonicContact OE2-NZ 3.92Å; I363-K367 HydrophobicContact CD1-CG 4.36Å; I363-K367 HydrophobicContact CG1-CG 4.37Å; I363-K367 PolarHBondContact O-N 3.19Å
368C92.3Very high94.9Very high2 Ų260.3 Ų60.31%0.01430%0.297CS..  trans-104.1117.4-179.3-55.50000109.3R117 Y134 V135 V364R117-C368 PolarHBondContact NH2-O 3.35Å; Y134-C368 WeakPolarHBondContact CD2-SG 3.08Å; Y134-C368 HydrophobicContact CE1-CB 4.49Å; Y134-C368 HydrophobicContact CE2-CB 4.13Å; Y134-C368 WeakPolarHBondContact CE2-SG 3.34Å; V135-C368 HydrophobicContact CB-CB 4.47Å; V135-C368 PolarHBondContact N-SG 3.03Å; V135-C368 VanDerWaalsContact N-SG 3.38Å; V135-C368 VanDerWaalsContact O-CB 3.31Å; V135-C368 WeakPolarHBondContact O-CB 3.29Å; V364-C368 HydrophobicContact CG2-CB 4.26Å; V364-C368 WeakPolarHBondContact O-CB 3.38Å; V364-C368 PolarHBondContact O-N 3.07Å
369F82.2Confident94.6Very high162 Ų16253.3 Ų53.371%0.71127%0.266SS*.  trans-107.50-177.6-64.6-77.7000112.5R366R366-F369 WeakPolarHBondContact O-CE2 3.06Å; R366-F369 WeakPolarHBondContact O-CZ 3.4Å

Retrieved 369 of 369 residues in 366.1 ms (Link to these results)

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