A0A077ZJ47_TRITR Loading...

Single-stranded-DNA-specific exonuclease RecJ

AlphaFold DB , UniProt , Accession A0A077ZJ47, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 736 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
1M86.3Confident92.1Very high40 Ų4060 Ų6020%0.19735%0.352CS..  0-600-61.1-47.5-73.400113S3 Q4 Y6 F10 A11 L14 F25M1-S3 VanDerWaalsContact C-N 3.28Å; M1-S3 PolarHBondContact O-N 3.13Å; M1-Q4 WeakPolarHBondContact O-CA 3.44Å; M1-Q4 WeakPolarHBondContact O-CB 3.35Å; M1-Q4 PolarHBondContact O-N 3.33Å; M1-Y6 HydrophobicContact CE-CD1 4.44Å; M1-Y6 HydrophobicContact CE-CD2 3.38Å; M1-Y6 HydrophobicContact CE-CE2 3.46Å; M1-Y6 VanDerWaalsContact CE-CE2 3.46Å; M1-Y6 HydrophobicContact CE-CG 3.91Å; M1-Y6 HydrophobicContact SD-CD2 4.49Å; M1-F10 HydrophobicContact CE-CE1 4.28Å; M1-A11 HydrophobicContact CB-CB 3.89Å; M1-L14 HydrophobicContact CB-CD1 4.42Å; M1-L14 HydrophobicContact CE-CD1 3.62Å; M1-L14 HydrophobicContact CG-CD1 3.7Å; M1-L14 HydrophobicContact SD-CD1 4.31Å; M1-F25 HydrophobicContact CE-CB 4.37Å; M1-F25 HydrophobicContact CE-CD1 3.21Å; M1-F25 HydrophobicContact CE-CD2 3.99Å; M1-F25 HydrophobicContact CE-CE1 3.28Å; M1-F25 HydrophobicContact CE-CE2 4.06Å; M1-F25 HydrophobicContact CE-CG 3.58Å; M1-F25 HydrophobicContact CE-CZ 3.71Å; M1-F25 HydrophobicContact SD-CB 4.29Å; M1-F25 HydrophobicContact SD-CD1 3.95Å; M1-F25 HydrophobicContact SD-CG 4.13Å
2V88.8Confident92.3Very high72 Ų7263.8 Ų63.844%0.43636%0.364SS..G310 helixtrans-53.5-41.9180-177.60000113.3Q4 G5 E8 A11V2-Q4 PolarHBondContact O-N 3.07Å; V2-Q4 VanDerWaalsContact O-N 3.17Å; V2-G5 PolarHBondContact O-N 3.5Å; V2-E8 HydrophobicContact CG1-CG 4.28Å; V2-E8 HydrophobicContact CG2-CG 4.02Å; V2-A11 HydrophobicContact CG2-CB 3.84Å
3S89.9Confident92.5Very high120 Ų12058.9 Ų58.984%0.83934%0.336SS*.G310 helixtrans-62.7-19.6175.7570000114.8M1 G5M1-S3 VanDerWaalsContact C-N 3.28Å; M1-S3 PolarHBondContact O-N 3.13Å; S3-G5 VanDerWaalsContact C-N 3.34Å
4Q89.1Confident92.7Very high107 Ų10754.8 Ų54.850%0.531%0.312SS..G310 helixtrans-913.5175.2-62.8-178.9-6.400112.5M1 V2 Y6 T22M1-Q4 WeakPolarHBondContact O-CA 3.44Å; M1-Q4 WeakPolarHBondContact O-CB 3.35Å; M1-Q4 PolarHBondContact O-N 3.33Å; V2-Q4 PolarHBondContact O-N 3.07Å; V2-Q4 VanDerWaalsContact O-N 3.17Å; Q4-Y6 HydrophobicContact CB-CD2 4.07Å; Q4-Y6 HydrophobicContact CB-CE2 4.26Å; Q4-T22 VanDerWaalsContact NE2-CG2 3.31Å
5G92.3Very high92.8Very high45 Ų4561.4 Ų61.446%0.46433%0.33SS..THydrogen-bonded Turntrans96.80.617600000115.1V2 S3 K440V2-G5 PolarHBondContact O-N 3.5Å; S3-G5 VanDerWaalsContact C-N 3.34Å; G5-K440 WeakPolarHBondContact O-CE 3.49Å; G5-K440 PolarHBondContact O-NZ 3.23Å
6Y94.1Very high92.8Very high50 Ų5063.1 Ų63.120%0.19634%0.339CS..  trans-70152172.2-68.5-82.2000111.8M1 Q4 F10 F25 E444M1-Y6 HydrophobicContact CE-CD1 4.44Å; M1-Y6 HydrophobicContact CE-CD2 3.38Å; M1-Y6 HydrophobicContact CE-CE2 3.46Å; M1-Y6 VanDerWaalsContact CE-CE2 3.46Å; M1-Y6 HydrophobicContact CE-CG 3.91Å; M1-Y6 HydrophobicContact SD-CD2 4.49Å; Q4-Y6 HydrophobicContact CB-CD2 4.07Å; Q4-Y6 HydrophobicContact CB-CE2 4.26Å; Y6-F10 AromaticContact CD1-CD1 3.39Å; Y6-F10 HydrophobicContact CD1-CD1 3.39Å; Y6-F10 AromaticContact CD1-CE1 3.42Å; Y6-F10 HydrophobicContact CD1-CE1 3.42Å; Y6-F10 VanDerWaalsContact CD1-CE1 3.42Å; Y6-F10 HydrophobicContact CD1-CG 4.43Å; Y6-F10 HydrophobicContact CE1-CD1 4.18Å; Y6-F10 AromaticContact CE1-CE1 3.72Å; Y6-F10 HydrophobicContact CE1-CE1 3.72Å; Y6-F10 AromaticContact CG-CD1 3.84Å; Y6-F10 HydrophobicContact CG-CD1 3.84Å; Y6-F10 HydrophobicContact CG-CE1 4.1Å; Y6-F25 HydrophobicContact CE1-CE1 4.37Å; Y6-F25 HydrophobicContact CE1-CZ 4.12Å; Y6-F25 HydrophobicContact CE2-CE1 4.01Å; Y6-F25 AromaticContact CZ-CE1 3.68Å; Y6-F25 AromaticContact CZ-CZ 3.89Å; Y6-F25 WeakPolarHBondContact OH-CE1 3.41Å; Y6-E444 VanDerWaalsContact CA-OE1 3.27Å; Y6-E444 WeakPolarHBondContact CA-OE1 3.34Å; Y6-E444 HydrophobicContact CD1-CB 4.36Å; Y6-E444 HydrophobicContact CD1-CG 3.82Å; Y6-E444 HydrophobicContact CE1-CG 4.29Å
7S94.8Very high92.8Very high25 Ų2562.1 Ų62.118%0.17533%0.33CS..  trans-64.2155.8173.766.60000112.6T9 F10 A11 F441 E444S7-T9 VanDerWaalsContact C-N 3.34Å; S7-F10 PolarHBondContact O-N 3.06Å; S7-F10 WeakPolarHBondContact OG-CB 3.35Å; S7-F10 PolarHBondContact OG-N 3.2Å; S7-F10 VanDerWaalsContact OG-N 3.12Å; S7-A11 PolarHBondContact O-N 3.15Å; S7-A11 VanDerWaalsContact O-N 3.11Å; S7-F441 WeakPolarHBondContact OG-CD2 3.31Å; S7-E444 VanDerWaalsContact CB-OE2 3.26Å; S7-E444 WeakPolarHBondContact CB-OE2 3.31Å; S7-E444 PolarHBondContact N-OE1 2.83Å; S7-E444 PolarHBondContact N-OE2 3.37Å; S7-E444 PolarHBondContact OG-OE2 2.93Å
8E94Very high92.7Very high151 Ų15165.9 Ų65.971%0.70635%0.35SS*.Hα-helixtrans-62.2-43.8174.6-70-179.8174.800111.1V2 F10 A11 E12V2-E8 HydrophobicContact CG1-CG 4.28Å; V2-E8 HydrophobicContact CG2-CG 4.02Å; E8-F10 VanDerWaalsContact C-N 3.31Å; E8-F10 PolarHBondContact O-N 3.15Å; E8-A11 WeakPolarHBondContact O-CA 3.48Å; E8-A11 WeakPolarHBondContact O-CB 3.25Å; E8-A11 PolarHBondContact O-N 3.12Å; E8-E12 PolarHBondContact O-N 2.92Å
9T93.6Very high92.8Very high25 Ų2563.5 Ų63.515%0.15334%0.337CS..Hα-helixtrans-57.1-41.6175-50.60000112.6S7 E12 L13 L432 F441S7-T9 VanDerWaalsContact C-N 3.34Å; T9-E12 PolarHBondContact O-N 3.4Å; T9-L13 PolarHBondContact O-N 3.47Å; T9-L432 HydrophobicContact CG2-CD2 3.21Å; T9-F441 HydrophobicContact CG2-CD2 4.41Å; T9-F441 HydrophobicContact CG2-CE1 4.15Å; T9-F441 HydrophobicContact CG2-CE2 3.61Å; T9-F441 HydrophobicContact CG2-CZ 3.45Å; T9-F441 VanDerWaalsContact CG2-CZ 3.45Å
10F95.8Very high92.8Very high0 Ų065 Ų650%034%0.342CS..Hα-helixtrans-67.3-37.7175.6-175.3-111.1000112.1M1 Y6 S7 E8 E12 L13 L14 F25 F441 E444 L445 L448M1-F10 HydrophobicContact CE-CE1 4.28Å; Y6-F10 AromaticContact CD1-CD1 3.39Å; Y6-F10 HydrophobicContact CD1-CD1 3.39Å; Y6-F10 AromaticContact CD1-CE1 3.42Å; Y6-F10 HydrophobicContact CD1-CE1 3.42Å; Y6-F10 VanDerWaalsContact CD1-CE1 3.42Å; Y6-F10 HydrophobicContact CD1-CG 4.43Å; Y6-F10 HydrophobicContact CE1-CD1 4.18Å; Y6-F10 AromaticContact CE1-CE1 3.72Å; Y6-F10 HydrophobicContact CE1-CE1 3.72Å; Y6-F10 AromaticContact CG-CD1 3.84Å; Y6-F10 HydrophobicContact CG-CD1 3.84Å; Y6-F10 HydrophobicContact CG-CE1 4.1Å; S7-F10 PolarHBondContact O-N 3.06Å; S7-F10 WeakPolarHBondContact OG-CB 3.35Å; S7-F10 PolarHBondContact OG-N 3.2Å; S7-F10 VanDerWaalsContact OG-N 3.12Å; E8-F10 VanDerWaalsContact C-N 3.31Å; E8-F10 PolarHBondContact O-N 3.15Å; F10-E12 VanDerWaalsContact C-N 3.32Å; F10-E12 PolarHBondContact O-N 3.5Å; F10-L13 PolarHBondContact O-N 3Å; F10-L14 HydrophobicContact CD1-CD1 3.8Å; F10-L14 HydrophobicContact CD1-CG 4.29Å; F10-L14 HydrophobicContact CE1-CD1 3.53Å; F10-L14 HydrophobicContact CE1-CD2 4.4Å; F10-L14 HydrophobicContact CE1-CG 4.06Å; F10-L14 HydrophobicContact CZ-CD1 4.11Å; F10-L14 HydrophobicContact CZ-CD2 4.15Å; F10-L14 HydrophobicContact CZ-CG 4.19Å; F10-L14 VanDerWaalsContact O-CG 3.27Å; F10-L14 WeakPolarHBondContact O-CG 3.34Å; F10-L14 PolarHBondContact O-N 3.45Å; F10-F25 AromaticContact CE1-CE2 3.84Å; F10-F25 HydrophobicContact CE1-CE2 3.84Å; F10-F25 AromaticContact CE1-CZ 3.85Å; F10-F25 HydrophobicContact CE1-CZ 3.85Å; F10-F25 AromaticContact CZ-CE2 3.79Å; F10-F25 HydrophobicContact CZ-CE2 3.79Å; F10-F25 HydrophobicContact CZ-CZ 4.05Å; F10-F441 HydrophobicContact CB-CD2 4.17Å; F10-F441 HydrophobicContact CB-CE2 3.98Å; F10-E444 HydrophobicContact CB-CB 4.37Å; F10-E444 WeakPolarHBondContact CB-OE2 3.44Å; F10-E444 HydrophobicContact CD1-CB 4.2Å; F10-E444 HydrophobicContact CD2-CB 3.78Å; F10-E444 HydrophobicContact CE1-CB 4.4Å; F10-E444 HydrophobicContact CE2-CB 4.04Å; F10-E444 WeakPolarHBondContact CE2-O 3.29Å; F10-E444 HydrophobicContact CG-CB 3.86Å; F10-E444 HydrophobicContact CZ-CB 4.32Å; F10-E444 WeakPolarHBondContact CZ-O 3.48Å; F10-L445 HydrophobicContact CD2-CD2 4.16Å; F10-L445 HydrophobicContact CE2-CD2 4.48Å; F10-L448 HydrophobicContact CE2-CD1 4.12Å; F10-L448 HydrophobicContact CE2-CD2 4.37Å; F10-L448 HydrophobicContact CE2-CG 4.05Å; F10-L448 HydrophobicContact CZ-CD2 4.26Å; F10-L448 HydrophobicContact CZ-CG 4.36Å
11A94.7Very high92.8Very high25 Ų2565 Ų6521%0.20735%0.345CS..Hα-helixtrans-65.8-35.1176.300000112.6M1 V2 S7 E8 W15M1-A11 HydrophobicContact CB-CB 3.89Å; V2-A11 HydrophobicContact CG2-CB 3.84Å; S7-A11 PolarHBondContact O-N 3.15Å; S7-A11 VanDerWaalsContact O-N 3.11Å; E8-A11 WeakPolarHBondContact O-CA 3.48Å; E8-A11 WeakPolarHBondContact O-CB 3.25Å; E8-A11 PolarHBondContact O-N 3.12Å; A11-W15 PolarHBondContact O-N 3.2Å; A11-W15 VanDerWaalsContact O-N 3.07Å
12E94.3Very high93Very high106 Ų10666 Ų6650%0.49535%0.353SS..Hα-helixtrans-67.9-46.1174.7-166.1169.7-163.100111.6E8 T9 F10 L14 W15 N16E8-E12 PolarHBondContact O-N 2.92Å; T9-E12 PolarHBondContact O-N 3.4Å; F10-E12 VanDerWaalsContact C-N 3.32Å; F10-E12 PolarHBondContact O-N 3.5Å; E12-L14 VanDerWaalsContact C-N 3.32Å; E12-L14 PolarHBondContact O-N 2.98Å; E12-W15 WeakPolarHBondContact O-CA 3.31Å; E12-W15 VanDerWaalsContact O-CB 3.29Å; E12-W15 WeakPolarHBondContact O-CB 3.38Å; E12-W15 PolarHBondContact O-N 2.92Å; E12-N16 PolarHBondContact O-N 2.89Å
13L95.3Very high93.1Very high0 Ų067.7 Ų67.70%036%0.36CS..Hα-helixtrans-56-46.5173.3176.365.4000112T9 F10 W15 N16 R17 D429 L445 L448 P458 F460T9-L13 PolarHBondContact O-N 3.47Å; F10-L13 PolarHBondContact O-N 3Å; L13-W15 VanDerWaalsContact C-N 3.28Å; L13-W15 PolarHBondContact O-N 3.35Å; L13-N16 PolarHBondContact O-N 3.37Å; L13-R17 HydrophobicContact CD1-CG 4.42Å; L13-R17 WeakPolarHBondContact O-CG 3.23Å; L13-R17 PolarHBondContact O-N 2.94Å; L13-D429 HydrophobicContact CD1-CB 3.6Å; L13-D429 WeakPolarHBondContact CD1-OD1 3.49Å; L13-L445 HydrophobicContact CD2-CD2 3.31Å; L13-L448 HydrophobicContact CD2-CD1 3.79Å; L13-L448 HydrophobicContact CG-CD1 4.41Å; L13-P458 HydrophobicContact CD1-CB 4.08Å; L13-P458 HydrophobicContact CD2-CB 4.13Å; L13-P458 HydrophobicContact CD2-CG 4.13Å; L13-F460 HydrophobicContact CD2-CZ 4.35Å
14L95.4Very high93.1Very high1 Ų165 Ų651%0.00534%0.336CS..Hα-helixtrans-58.9-42.4175.8-73.4176.4000111.6M1 F10 E12 N16 R17 N18 I19 F25 L448M1-L14 HydrophobicContact CB-CD1 4.42Å; M1-L14 HydrophobicContact CE-CD1 3.62Å; M1-L14 HydrophobicContact CG-CD1 3.7Å; M1-L14 HydrophobicContact SD-CD1 4.31Å; F10-L14 HydrophobicContact CD1-CD1 3.8Å; F10-L14 HydrophobicContact CD1-CG 4.29Å; F10-L14 HydrophobicContact CE1-CD1 3.53Å; F10-L14 HydrophobicContact CE1-CD2 4.4Å; F10-L14 HydrophobicContact CE1-CG 4.06Å; F10-L14 HydrophobicContact CZ-CD1 4.11Å; F10-L14 HydrophobicContact CZ-CD2 4.15Å; F10-L14 HydrophobicContact CZ-CG 4.19Å; F10-L14 VanDerWaalsContact O-CG 3.27Å; F10-L14 WeakPolarHBondContact O-CG 3.34Å; F10-L14 PolarHBondContact O-N 3.45Å; E12-L14 VanDerWaalsContact C-N 3.32Å; E12-L14 PolarHBondContact O-N 2.98Å; L14-N16 VanDerWaalsContact C-N 3.34Å; L14-N16 PolarHBondContact O-N 3.27Å; L14-R17 CarbonylContact O-C 3.06Å; L14-R17 PolarHBondContact O-N 3.17Å; L14-N18 PolarHBondContact O-N 3.4Å; L14-I19 CarbonylContact C-O 3.55Å; L14-I19 HydrophobicContact CB-CB 4.18Å; L14-I19 HydrophobicContact CB-CG2 4.46Å; L14-I19 HydrophobicContact CD2-CB 4.13Å; L14-I19 HydrophobicContact CD2-CD1 3.56Å; L14-I19 HydrophobicContact CD2-CG1 4.47Å; L14-I19 HydrophobicContact CD2-CG2 4.05Å; L14-I19 WeakPolarHBondContact O-CA 3.47Å; L14-I19 WeakPolarHBondContact O-CB 3.39Å; L14-I19 PolarHBondContact O-N 3.3Å; L14-F25 HydrophobicContact CD1-CD2 3.84Å; L14-F25 HydrophobicContact CD1-CE2 4.02Å; L14-F25 HydrophobicContact CD1-CG 4.46Å; L14-F25 HydrophobicContact CD2-CD2 3.71Å; L14-F25 HydrophobicContact CD2-CE2 3.9Å; L14-F25 HydrophobicContact CG-CD2 4.47Å; L14-L448 HydrophobicContact CD2-CD2 3.68Å
15W94Very high93.3Very high154 Ų15460 Ų6058%0.58331%0.313SS*.Hα-helixtrans-60-45.3177.6-175.4-88.3000111.9A11 E12 L13 R17 N18 H20A11-W15 PolarHBondContact O-N 3.2Å; A11-W15 VanDerWaalsContact O-N 3.07Å; E12-W15 WeakPolarHBondContact O-CA 3.31Å; E12-W15 VanDerWaalsContact O-CB 3.29Å; E12-W15 WeakPolarHBondContact O-CB 3.38Å; E12-W15 PolarHBondContact O-N 2.92Å; L13-W15 VanDerWaalsContact C-N 3.28Å; L13-W15 PolarHBondContact O-N 3.35Å; W15-R17 VanDerWaalsContact C-N 3.28Å; W15-R17 PolarHBondContact O-N 3.03Å; W15-N18 PolarHBondContact O-N 3.09Å; W15-N18 VanDerWaalsContact O-N 3.1Å; W15-H20 AromaticContact CD2-CD2 3.7Å; W15-H20 AromaticContact CD2-NE2 3.76Å; W15-H20 AromaticContact CE2-NE2 3.95Å; W15-H20 HydrophobicContact CE3-CB 4.29Å; W15-H20 AromaticContact CE3-CD2 3.53Å; W15-H20 AromaticContact CE3-CG 3.89Å; W15-H20 HydrophobicContact CZ3-CB 4.05Å; W15-H20 AromaticContact CZ3-CD2 3.98Å; W15-H20 AromaticContact CZ3-CG 3.86Å; W15-H20 PolarHBondContact O-CD2 3.46Å; W15-H20 PolarHBondContact O-NE2 2.73Å
16N92.8Very high93.1Very high88 Ų8859.6 Ų59.647%0.47130%0.302SS..Hα-helixtrans-70.6-23.8179-73.5-15.7000113.1E12 L13 L14 N18 E430E12-N16 PolarHBondContact O-N 2.89Å; L13-N16 PolarHBondContact O-N 3.37Å; L14-N16 VanDerWaalsContact C-N 3.34Å; L14-N16 PolarHBondContact O-N 3.27Å; N16-N18 VanDerWaalsContact C-N 3.27Å; N16-N18 PolarHBondContact O-N 3Å; N16-E430 PolarHBondContact ND2-OE1 3.07Å
17R91.7Very high92.7Very high47 Ų4763.8 Ų63.818%0.17732%0.324CS..THydrogen-bonded Turntrans-86.316.4169.6-68.2-170174.5-149-4.3114.3L13 L14 W15 I19 D429 N455 P456 P458L13-R17 HydrophobicContact CD1-CG 4.42Å; L13-R17 WeakPolarHBondContact O-CG 3.23Å; L13-R17 PolarHBondContact O-N 2.94Å; L14-R17 CarbonylContact O-C 3.06Å; L14-R17 PolarHBondContact O-N 3.17Å; W15-R17 VanDerWaalsContact C-N 3.28Å; W15-R17 PolarHBondContact O-N 3.03Å; R17-I19 VanDerWaalsContact C-N 3.28Å; R17-I19 HydrophobicContact CB-CD1 4.03Å; R17-I19 PolarHBondContact O-N 3.15Å; R17-D429 IonicContact CZ-OD1 3.47Å; R17-D429 IonicContact NE-OD1 2.82Å; R17-D429 PolarHBondContact NE-OD1 3.4Å; R17-D429 VanDerWaalsContact NE-OD1 3.08Å; R17-D429 IonicContact NH2-OD1 3.62Å; R17-D429 PolarHBondContact NH2-OD1 2.89Å; R17-D429 IonicContact NH2-OD2 3.32Å; R17-N455 PolarHBondContact NH1-OD1 3.33Å; R17-P456 PolarHBondContact NH1-O 2.91Å; R17-P456 PolarHBondContact NH2-O 2.8Å; R17-P458 VanDerWaalsContact NH2-CA 3.29Å
18N92.3Very high92.3Very high130 Ų13064.1 Ų64.170%0.69532%0.324SS*.THydrogen-bonded Turntrans62.226.1180-57.8-60.9000115.1L14 W15 N16L14-N18 PolarHBondContact O-N 3.4Å; W15-N18 PolarHBondContact O-N 3.09Å; W15-N18 VanDerWaalsContact O-N 3.1Å; N16-N18 VanDerWaalsContact C-N 3.27Å; N16-N18 PolarHBondContact O-N 3Å
19I93.2Very high92.1Very high21 Ų2159.2 Ų59.211%0.10830%0.302CS..  trans-102.989.6176.4-59.1152.5000108L14 R17 D24 F25 L28L14-I19 CarbonylContact C-O 3.55Å; L14-I19 HydrophobicContact CB-CB 4.18Å; L14-I19 HydrophobicContact CB-CG2 4.46Å; L14-I19 HydrophobicContact CD2-CB 4.13Å; L14-I19 HydrophobicContact CD2-CD1 3.56Å; L14-I19 HydrophobicContact CD2-CG1 4.47Å; L14-I19 HydrophobicContact CD2-CG2 4.05Å; L14-I19 WeakPolarHBondContact O-CA 3.47Å; L14-I19 WeakPolarHBondContact O-CB 3.39Å; L14-I19 PolarHBondContact O-N 3.3Å; R17-I19 VanDerWaalsContact C-N 3.28Å; R17-I19 HydrophobicContact CB-CD1 4.03Å; R17-I19 PolarHBondContact O-N 3.15Å; I19-D24 HydrophobicContact CG2-CB 4.01Å; I19-F25 HydrophobicContact CG2-CB 3.76Å; I19-F25 HydrophobicContact CG2-CD2 4.31Å; I19-L28 HydrophobicContact CD1-CD1 3.51Å; I19-L28 HydrophobicContact CG1-CD1 4.19Å
20H93.9Very high91.6Very high92 Ų9263.6 Ų63.643%0.42632%0.318SS..  trans-101.9-19.8-168.6-62.6169.6000113.4W15 D24W15-H20 AromaticContact CD2-CD2 3.7Å; W15-H20 AromaticContact CD2-NE2 3.76Å; W15-H20 AromaticContact CE2-NE2 3.95Å; W15-H20 HydrophobicContact CE3-CB 4.29Å; W15-H20 AromaticContact CE3-CD2 3.53Å; W15-H20 AromaticContact CE3-CG 3.89Å; W15-H20 HydrophobicContact CZ3-CB 4.05Å; W15-H20 AromaticContact CZ3-CD2 3.98Å; W15-H20 AromaticContact CZ3-CG 3.86Å; W15-H20 PolarHBondContact O-CD2 3.46Å; W15-H20 PolarHBondContact O-NE2 2.73Å; H20-D24 PolarHBondContact N-OD2 2.91Å
21T92.5Very high91.1Very high67 Ų6764.7 Ų64.741%0.41133%0.327SS..SBendtrans-114.5159.9179.675.80000112.5D23 D24 F25T21-D23 PolarHBondContact O-N 3.02Å; T21-D23 PolarHBondContact OG1-N 3.36Å; T21-D24 WeakPolarHBondContact CB-OD2 3.42Å; T21-D24 PolarHBondContact N-OD2 2.89Å; T21-D24 PolarHBondContact OG1-N 3.41Å; T21-D24 PolarHBondContact OG1-OD1 2.78Å; T21-D24 PolarHBondContact OG1-OD2 3.34Å; T21-F25 PolarHBondContact O-N 3.44Å
22T90.6Very high90.8Very high59 Ų5967 Ų6736%0.36234%0.337SS..Hα-helixtrans-65.6-2517249.70000112.4Q4 S26Q4-T22 VanDerWaalsContact NE2-CG2 3.31Å; T22-S26 WeakPolarHBondContact O-CB 3.34Å; T22-S26 PolarHBondContact O-N 2.9Å; T22-S26 PolarHBondContact O-OG 3.38Å
23D90.5Very high90.6Very high109 Ų10964.9 Ų64.958%0.58333%0.328SS*.Hα-helixtrans-76.4-44.7179.8-66.4-10.3000109.8T21 F25 S26 Q27T21-D23 PolarHBondContact O-N 3.02Å; T21-D23 PolarHBondContact OG1-N 3.36Å; D23-F25 VanDerWaalsContact C-N 3.31Å; D23-F25 PolarHBondContact O-N 2.9Å; D23-S26 WeakPolarHBondContact O-CB 3.14Å; D23-S26 PolarHBondContact O-N 3.33Å; D23-S26 VanDerWaalsContact O-N 3.09Å; D23-Q27 WeakPolarHBondContact O-CG 3.45Å; D23-Q27 PolarHBondContact O-N 3.2Å
24D90.4Very high90.3Very high63 Ų6372.2 Ų72.234%0.33737%0.367SS..Hα-helixtrans-55.6-47.8172.2-54.1-33.2000110.6I19 H20 T21 S26 Q27 L28I19-D24 HydrophobicContact CG2-CB 4.01Å; H20-D24 PolarHBondContact N-OD2 2.91Å; T21-D24 WeakPolarHBondContact CB-OD2 3.42Å; T21-D24 PolarHBondContact N-OD2 2.89Å; T21-D24 PolarHBondContact OG1-N 3.41Å; T21-D24 PolarHBondContact OG1-OD1 2.78Å; T21-D24 PolarHBondContact OG1-OD2 3.34Å; D24-S26 PolarHBondContact O-N 2.97Å; D24-Q27 PolarHBondContact O-N 2.98Å; D24-L28 WeakPolarHBondContact O-CB 3.37Å; D24-L28 PolarHBondContact O-N 3.44Å
25F92.4Very high90Very high2 Ų275.8 Ų75.81%0.00939%0.386CS..Hα-helixtrans-64.8-40.3177.5-176.6-109.1000111.9M1 Y6 F10 L14 I19 T21 D23 L28 I29 Q447 L448M1-F25 HydrophobicContact CE-CB 4.37Å; M1-F25 HydrophobicContact CE-CD1 3.21Å; M1-F25 HydrophobicContact CE-CD2 3.99Å; M1-F25 HydrophobicContact CE-CE1 3.28Å; M1-F25 HydrophobicContact CE-CE2 4.06Å; M1-F25 HydrophobicContact CE-CG 3.58Å; M1-F25 HydrophobicContact CE-CZ 3.71Å; M1-F25 HydrophobicContact SD-CB 4.29Å; M1-F25 HydrophobicContact SD-CD1 3.95Å; M1-F25 HydrophobicContact SD-CG 4.13Å; Y6-F25 HydrophobicContact CE1-CE1 4.37Å; Y6-F25 HydrophobicContact CE1-CZ 4.12Å; Y6-F25 HydrophobicContact CE2-CE1 4.01Å; Y6-F25 AromaticContact CZ-CE1 3.68Å; Y6-F25 AromaticContact CZ-CZ 3.89Å; Y6-F25 WeakPolarHBondContact OH-CE1 3.41Å; F10-F25 AromaticContact CE1-CE2 3.84Å; F10-F25 HydrophobicContact CE1-CE2 3.84Å; F10-F25 AromaticContact CE1-CZ 3.85Å; F10-F25 HydrophobicContact CE1-CZ 3.85Å; F10-F25 AromaticContact CZ-CE2 3.79Å; F10-F25 HydrophobicContact CZ-CE2 3.79Å; F10-F25 HydrophobicContact CZ-CZ 4.05Å; L14-F25 HydrophobicContact CD1-CD2 3.84Å; L14-F25 HydrophobicContact CD1-CE2 4.02Å; L14-F25 HydrophobicContact CD1-CG 4.46Å; L14-F25 HydrophobicContact CD2-CD2 3.71Å; L14-F25 HydrophobicContact CD2-CE2 3.9Å; L14-F25 HydrophobicContact CG-CD2 4.47Å; I19-F25 HydrophobicContact CG2-CB 3.76Å; I19-F25 HydrophobicContact CG2-CD2 4.31Å; T21-F25 PolarHBondContact O-N 3.44Å; D23-F25 VanDerWaalsContact C-N 3.31Å; D23-F25 PolarHBondContact O-N 2.9Å; F25-L28 WeakPolarHBondContact O-CB 3.32Å; F25-L28 PolarHBondContact O-N 2.91Å; F25-I29 HydrophobicContact CD1-CD1 4.12Å; F25-I29 HydrophobicContact CD1-CG2 4.28Å; F25-I29 HydrophobicContact CD2-CG2 4.14Å; F25-I29 HydrophobicContact CE1-CD1 3.78Å; F25-I29 HydrophobicContact CE1-CG2 3.79Å; F25-I29 HydrophobicContact CE2-CG2 3.63Å; F25-I29 HydrophobicContact CG-CG2 4.46Å; F25-I29 HydrophobicContact CZ-CD1 4.45Å; F25-I29 HydrophobicContact CZ-CG2 3.44Å; F25-I29 VanDerWaalsContact CZ-CG2 3.44Å; F25-I29 WeakPolarHBondContact O-CG1 3.46Å; F25-I29 WeakPolarHBondContact O-CG2 3.34Å; F25-I29 PolarHBondContact O-N 3.45Å; F25-Q447 HydrophobicContact CZ-CB 4.35Å; F25-L448 HydrophobicContact CE2-CD2 4.47Å
26S89.2Confident90.1Very high36 Ų3669.5 Ų69.525%0.25236%0.364SS..Hα-helixtrans-63.7-42178.2-67.60000112.1T22 D23 D24 L28 I29 K30T22-S26 WeakPolarHBondContact O-CB 3.34Å; T22-S26 PolarHBondContact O-N 2.9Å; T22-S26 PolarHBondContact O-OG 3.38Å; D23-S26 WeakPolarHBondContact O-CB 3.14Å; D23-S26 PolarHBondContact O-N 3.33Å; D23-S26 VanDerWaalsContact O-N 3.09Å; D24-S26 PolarHBondContact O-N 2.97Å; S26-L28 VanDerWaalsContact C-N 3.3Å; S26-I29 WeakPolarHBondContact O-CG1 3.37Å; S26-I29 PolarHBondContact O-N 3.4Å; S26-K30 VanDerWaalsContact O-CB 3.24Å; S26-K30 WeakPolarHBondContact O-CB 3.35Å; S26-K30 VanDerWaalsContact O-CG 3.29Å; S26-K30 WeakPolarHBondContact O-CG 3.26Å; S26-K30 PolarHBondContact O-N 3.36Å
27Q85Confident90.2Very high139 Ų13968.2 Ų68.265%0.6536%0.355SS*.Hα-helixtrans-64.5-36.6173.4-72.9178.8-9.300111.2D23 D24D23-Q27 WeakPolarHBondContact O-CG 3.45Å; D23-Q27 PolarHBondContact O-N 3.2Å; D24-Q27 PolarHBondContact O-N 2.98Å
28L87.2Confident90.5Very high32 Ų3270 Ų7017%0.16837%0.368CS..Hα-helixtrans-69.5-37.3177.7-177.9144.4000113I19 D24 F25 S26 R217 K221 L448I19-L28 HydrophobicContact CD1-CD1 3.51Å; I19-L28 HydrophobicContact CG1-CD1 4.19Å; D24-L28 WeakPolarHBondContact O-CB 3.37Å; D24-L28 PolarHBondContact O-N 3.44Å; F25-L28 WeakPolarHBondContact O-CB 3.32Å; F25-L28 PolarHBondContact O-N 2.91Å; S26-L28 VanDerWaalsContact C-N 3.3Å; L28-R217 VanDerWaalsContact CD2-NH2 3.31Å; L28-R217 PolarHBondContact O-NE 3.35Å; L28-R217 VanDerWaalsContact O-NE 3.16Å; L28-R217 PolarHBondContact O-NH2 3.44Å; L28-R217 VanDerWaalsContact O-NH2 3.14Å; L28-K221 PolarHBondContact O-NZ 3.37Å; L28-L448 HydrophobicContact CD2-CD2 3.75Å
29I88.5Confident90.8Very high47 Ų4764.4 Ų64.424%0.24134%0.339CS..Hα-helixtrans-85.2-36.8-177.767.3179.2000113F25 S26 K221 Q447F25-I29 HydrophobicContact CD1-CD1 4.12Å; F25-I29 HydrophobicContact CD1-CG2 4.28Å; F25-I29 HydrophobicContact CD2-CG2 4.14Å; F25-I29 HydrophobicContact CE1-CD1 3.78Å; F25-I29 HydrophobicContact CE1-CG2 3.79Å; F25-I29 HydrophobicContact CE2-CG2 3.63Å; F25-I29 HydrophobicContact CG-CG2 4.46Å; F25-I29 HydrophobicContact CZ-CD1 4.45Å; F25-I29 HydrophobicContact CZ-CG2 3.44Å; F25-I29 VanDerWaalsContact CZ-CG2 3.44Å; F25-I29 WeakPolarHBondContact O-CG1 3.46Å; F25-I29 WeakPolarHBondContact O-CG2 3.34Å; F25-I29 PolarHBondContact O-N 3.45Å; S26-I29 WeakPolarHBondContact O-CG1 3.37Å; S26-I29 PolarHBondContact O-N 3.4Å; I29-K221 VanDerWaalsContact CA-NZ 3.31Å; I29-K221 PolarHBondContact O-NZ 2.86Å; I29-Q447 HydrophobicContact CG2-CB 4.14Å
30K84.6Confident91Very high117 Ų11768.5 Ų68.551%0.50936%0.356SS..  trans-84.4131.2179.6-65178-177176.90109.4S26S26-K30 VanDerWaalsContact O-CB 3.24Å; S26-K30 WeakPolarHBondContact O-CB 3.35Å; S26-K30 VanDerWaalsContact O-CG 3.29Å; S26-K30 WeakPolarHBondContact O-CG 3.26Å; S26-K30 PolarHBondContact O-N 3.36Å
31A84.4Confident91.2Very high23 Ų2368.2 Ų68.219%0.1936%0.357CS..  trans-115.4112.8163.800000106.8N218 K221 L222A31-N218 HydrophobicContact CB-CB 4.4Å; A31-K221 HydrophobicContact CB-CB 3.48Å; A31-K221 VanDerWaalsContact CB-CB 3.48Å; A31-K221 HydrophobicContact CB-CD 3.94Å; A31-K221 HydrophobicContact CB-CG 4.34Å; A31-L222 HydrophobicContact CB-CD2 4.35Å; A31-L222 HydrophobicContact CB-CG 4Å; A31-L222 WeakPolarHBondContact O-CD2 3.19Å
32N88Confident91.5Very high74 Ų7465.1 Ų65.140%0.39634%0.338SS..  trans-109.6146.1172.7-48.9-62.1000109D34 D35N32-D34 PolarHBondContact O-N 2.93Å; N32-D35 WeakPolarHBondContact CB-OD2 3.37Å; N32-D35 PolarHBondContact ND2-OD2 3.11Å; N32-D35 PolarHBondContact O-N 3.21Å; N32-D35 VanDerWaalsContact O-N 3.13Å
33I91Very high91.8Very high62 Ų6264.9 Ų64.932%0.31833%0.333SS..G310 helixtrans-60.6-34.6174.5-68153.7000110.5D35 L36 V193 L195 L222I33-D35 PolarHBondContact O-N 3.07Å; I33-L36 WeakPolarHBondContact O-CB 3.24Å; I33-L36 VanDerWaalsContact O-CG 3.29Å; I33-L36 WeakPolarHBondContact O-CG 3.47Å; I33-L36 PolarHBondContact O-N 3.44Å; I33-L36 VanDerWaalsContact O-N 3.16Å; I33-V193 HydrophobicContact CG2-CB 4.03Å; I33-V193 HydrophobicContact CG2-CG1 4.09Å; I33-V193 HydrophobicContact CG2-CG2 3.89Å; I33-L195 HydrophobicContact CD1-CD1 4.48Å; I33-L195 HydrophobicContact CD1-CD2 3.51Å; I33-L195 HydrophobicContact CG1-CD2 4.13Å; I33-L222 HydrophobicContact CG1-CD1 3.8Å; I33-L222 HydrophobicContact CG1-CD2 4.19Å
34D88.9Confident92.2Very high153 Ų15361.1 Ų61.182%0.81831%0.313SS*.G310 helixtrans-68-14.2178.8-59-28.4000113.9N32 L36N32-D34 PolarHBondContact O-N 2.93Å; D34-L36 VanDerWaalsContact C-N 3.33Å
35D89.6Confident92.6Very high77 Ų7758.1 Ų58.141%0.41230%0.297SS..G310 helixtrans-88-3.6177.4-62.8-41.8000112.1N32 I33N32-D35 WeakPolarHBondContact CB-OD2 3.37Å; N32-D35 PolarHBondContact ND2-OD2 3.11Å; N32-D35 PolarHBondContact O-N 3.21Å; N32-D35 VanDerWaalsContact O-N 3.13Å; I33-D35 PolarHBondContact O-N 3.07Å
36L94.9Very high92.9Very high22 Ų2263 Ų6312%0.11532%0.323CS..SBendtrans-72137.4173.3-60.5179.6000110I33 D34 F183 V193 E215 N218 L219I33-L36 WeakPolarHBondContact O-CB 3.24Å; I33-L36 VanDerWaalsContact O-CG 3.29Å; I33-L36 WeakPolarHBondContact O-CG 3.47Å; I33-L36 PolarHBondContact O-N 3.44Å; I33-L36 VanDerWaalsContact O-N 3.16Å; D34-L36 VanDerWaalsContact C-N 3.33Å; L36-F183 HydrophobicContact CD1-CE1 4.39Å; L36-V193 HydrophobicContact CD1-CG1 4.17Å; L36-E215 HydrophobicContact CD2-CG 3.98Å; L36-N218 HydrophobicContact CD2-CB 4.13Å; L36-L219 HydrophobicContact CD1-CD2 4.01Å; L36-L219 HydrophobicContact CD2-CD2 3.78Å; L36-L219 HydrophobicContact CD2-CG 3.95Å
37H96.5Very high93.3Very high61 Ų6165 Ų6528%0.28233%0.327SS..PPolyproline II helixtrans-69.1148.2-178.9-61.7-47.3000111.7Y171 K184 E215H37-Y171 HydrophobicContact CB-CE2 3.99Å; H37-K184 PolarHBondContact O-NZ 3.01Å; H37-E215 IonicContact CD2-OE1 2.87Å; H37-E215 IonicContact CD2-OE2 3.85Å; H37-E215 PolarHBondContact CD2-OE2 3.01Å; H37-E215 PolarHBondContact N-OE1 3.18Å
38D97.3Very high94Very high85 Ų8558.3 Ų58.346%0.45530%0.296SS..PPolyproline II helixtrans-61123.4175.2177.3-3.3000110.1F40 L41D38-F40 PolarHBondContact O-N 3.14Å; D38-F40 WeakPolarHBondContact OD1-CD2 3.07Å; D38-F40 PolarHBondContact OD1-N 2.93Å; D38-L41 HydrophobicContact CB-CD1 4.08Å; D38-L41 HydrophobicContact CB-CG 4.05Å; D38-L41 WeakPolarHBondContact O-CB 3.42Å; D38-L41 PolarHBondContact O-N 3.13Å; D38-L41 VanDerWaalsContact O-N 3.1Å
39P98Very high94.5Very high12 Ų1257.2 Ų57.28%0.07829%0.29CS..G310 helixtrans-59.2-29.118025.7-36.1000113.1L41 M42 M45 K184 T187 A188P39-L41 PolarHBondContact O-N 3.38Å; P39-L41 VanDerWaalsContact O-N 3.16Å; P39-M42 WeakPolarHBondContact O-CB 3.47Å; P39-M42 PolarHBondContact O-N 2.88Å; P39-M45 HydrophobicContact CB-CE 4.09Å; P39-M45 HydrophobicContact CB-CG 4.41Å; P39-M45 WeakPolarHBondContact O-CB 3.34Å; P39-M45 WeakPolarHBondContact O-CG 3.5Å; P39-K184 HydrophobicContact CB-CB 4.05Å; P39-K184 HydrophobicContact CB-CD 4.09Å; P39-K184 VanDerWaalsContact CB-O 3.31Å; P39-K184 WeakPolarHBondContact CB-O 3.2Å; P39-T187 HydrophobicContact CG-CG2 4.16Å; P39-A188 HydrophobicContact CB-CB 4.05Å; P39-A188 HydrophobicContact CG-CB 3.94Å
40F98.2Very high95Very high106 Ų10660.4 Ų60.447%0.46530%0.304SS..G310 helixtrans-71.3-5178.9-67.2-77000113.8D38 M42 M45 D46 V49 A188D38-F40 PolarHBondContact O-N 3.14Å; D38-F40 WeakPolarHBondContact OD1-CD2 3.07Å; D38-F40 PolarHBondContact OD1-N 2.93Å; F40-M42 VanDerWaalsContact C-N 3.28Å; F40-M45 HydrophobicContact CD1-CG 4.16Å; F40-M45 HydrophobicContact CE1-CG 4.5Å; F40-D46 HydrophobicContact CD1-CB 4.26Å; F40-V49 HydrophobicContact CE1-CG2 4.35Å; F40-A188 HydrophobicContact CE1-CB 4.43Å; F40-A188 HydrophobicContact CE2-CB 4.25Å; F40-A188 HydrophobicContact CZ-CB 4Å
41L98Very high95.6Very high86 Ų8655.8 Ų55.845%0.4528%0.283SS..G310 helixtrans-76.3-17.6168.1-63.4174000112.5D38 P39 Y171 P172D38-L41 HydrophobicContact CB-CD1 4.08Å; D38-L41 HydrophobicContact CB-CG 4.05Å; D38-L41 WeakPolarHBondContact O-CB 3.42Å; D38-L41 PolarHBondContact O-N 3.13Å; D38-L41 VanDerWaalsContact O-N 3.1Å; P39-L41 PolarHBondContact O-N 3.38Å; P39-L41 VanDerWaalsContact O-N 3.16Å; L41-Y171 HydrophobicContact CB-CD2 3.87Å; L41-Y171 HydrophobicContact CB-CE2 4.39Å; L41-P172 HydrophobicContact CD1-CG 4.03Å
42M98.1Very high96.3Very high2 Ų254.7 Ų54.71%0.0127%0.274CS..SBendtrans-76.9132175.8-154176.9-63.400108.7P39 F40 D44 M45 V162 P164 Y171 L176 V181 K184P39-M42 WeakPolarHBondContact O-CB 3.47Å; P39-M42 PolarHBondContact O-N 2.88Å; F40-M42 VanDerWaalsContact C-N 3.28Å; M42-D44 PolarHBondContact O-N 3.33Å; M42-M45 HydrophobicContact CB-CB 4.45Å; M42-M45 HydrophobicContact CB-CE 4.19Å; M42-M45 VanDerWaalsContact O-CB 3.31Å; M42-M45 WeakPolarHBondContact O-CB 3.39Å; M42-M45 PolarHBondContact O-N 3.49Å; M42-M45 HydrophobicContact SD-CE 4.35Å; M42-V162 HydrophobicContact CG-CG1 4.1Å; M42-V162 HydrophobicContact SD-CG1 3.45Å; M42-V162 WeakPolarHBondContact SD-CG1 3.49Å; M42-P164 HydrophobicContact CE-CB 4.32Å; M42-Y171 HydrophobicContact CB-CD2 3.87Å; M42-Y171 HydrophobicContact CB-CE2 4.35Å; M42-Y171 HydrophobicContact CB-CG 4.37Å; M42-Y171 HydrophobicContact CE-CD1 4.2Å; M42-Y171 HydrophobicContact CE-CD2 4.24Å; M42-Y171 HydrophobicContact CE-CE1 4.02Å; M42-Y171 HydrophobicContact CE-CE2 4.02Å; M42-Y171 HydrophobicContact CE-CG 4.32Å; M42-Y171 HydrophobicContact CG-CD2 4.33Å; M42-Y171 HydrophobicContact CG-CG 4.36Å; M42-L176 HydrophobicContact CE-CD1 3.72Å; M42-V181 HydrophobicContact SD-CG1 4.01Å; M42-K184 HydrophobicContact CE-CB 4.29Å; M42-K184 HydrophobicContact CE-CG 4.26Å
43H97.9Very high96.7Very high54 Ų5454.8 Ų54.825%0.2527%0.273CS..THydrogen-bonded Turntrans-54.5141.9-178.1-168.879.4000110.4M45 H166H43-M45 PolarHBondContact O-N 2.72Å; H43-H166 HydrophobicContact CB-CB 3.72Å; H43-H166 AromaticContact CD2-CD2 3.82Å; H43-H166 AromaticContact CD2-CE1 3.22Å; H43-H166 PolarHBondContact CD2-CE1 2.77Å; H43-H166 AromaticContact CD2-CG 3.59Å; H43-H166 AromaticContact CD2-ND1 3.19Å; H43-H166 PolarHBondContact CD2-ND1 3.09Å; H43-H166 AromaticContact CD2-NE2 3.63Å; H43-H166 AromaticContact CG-CE1 3.91Å; H43-H166 AromaticContact CG-CG 3.78Å; H43-H166 AromaticContact CG-ND1 3.4Å; H43-H166 AromaticContact ND1-ND1 3.95Å; H43-H166 AromaticContact NE2-CE1 3.35Å; H43-H166 PolarHBondContact NE2-CE1 2.89Å; H43-H166 VanDerWaalsContact NE2-CE1 3.35Å; H43-H166 AromaticContact NE2-ND1 3.63Å
44D98.3Very high97.1Very high31 Ų3154.7 Ų54.717%0.16627%0.273CS..THydrogen-bonded Turntrans635.4177.6-94.2-2.9000116.1M42 D46 K47 A48 C160 I161 V162M42-D44 PolarHBondContact O-N 3.33Å; D44-D46 PolarHBondContact O-N 3.47Å; D44-K47 WeakPolarHBondContact O-CB 3.44Å; D44-K47 PolarHBondContact O-N 3.02Å; D44-A48 WeakPolarHBondContact O-CB 3.24Å; D44-A48 PolarHBondContact O-N 3.5Å; D44-C160 HydrophobicContact CB-CB 3.86Å; D44-C160 VanDerWaalsContact OD2-CA 3.24Å; D44-C160 WeakPolarHBondContact OD2-CA 3.34Å; D44-C160 VanDerWaalsContact OD2-CB 3.26Å; D44-C160 WeakPolarHBondContact OD2-CB 3.31Å; D44-I161 PolarHBondContact OD2-N 3.31Å; D44-V162 HydrophobicContact CB-CG2 4.45Å
45M98.7Very high97.4Very high0 Ų047.4 Ų47.40%023%0.234CC..Hα-helixtrans-60.7-42.9178.4-177.466.17300112.2P39 F40 M42 H43 K47 A48 V49 V162 K184 L185 A188P39-M45 HydrophobicContact CB-CE 4.09Å; P39-M45 HydrophobicContact CB-CG 4.41Å; P39-M45 WeakPolarHBondContact O-CB 3.34Å; P39-M45 WeakPolarHBondContact O-CG 3.5Å; F40-M45 HydrophobicContact CD1-CG 4.16Å; F40-M45 HydrophobicContact CE1-CG 4.5Å; M42-M45 HydrophobicContact CB-CB 4.45Å; M42-M45 HydrophobicContact CB-CE 4.19Å; M42-M45 VanDerWaalsContact O-CB 3.31Å; M42-M45 WeakPolarHBondContact O-CB 3.39Å; M42-M45 PolarHBondContact O-N 3.49Å; M42-M45 HydrophobicContact SD-CE 4.35Å; H43-M45 PolarHBondContact O-N 2.72Å; M45-K47 VanDerWaalsContact C-N 3.34Å; M45-K47 PolarHBondContact O-N 3.26Å; M45-A48 PolarHBondContact O-N 3Å; M45-V49 VanDerWaalsContact O-CG2 3.29Å; M45-V49 WeakPolarHBondContact O-CG2 3.26Å; M45-V49 PolarHBondContact O-N 3.36Å; M45-V49 HydrophobicContact SD-CG2 4.43Å; M45-V162 HydrophobicContact CE-CG1 3.62Å; M45-V162 HydrophobicContact SD-CG1 4.35Å; M45-K184 HydrophobicContact CE-CB 4.06Å; M45-L185 HydrophobicContact CE-CB 4.45Å; M45-L185 HydrophobicContact SD-CB 4.24Å; M45-L185 HydrophobicContact SD-CD1 3.69Å; M45-A188 HydrophobicContact CG-CB 4.04Å; M45-A188 HydrophobicContact SD-CB 3.9Å
46D98.3Very high97.7Very high103 Ų10345.9 Ų45.955%0.55123%0.225SC*.Hα-helixtrans-59.5-45175.459.9-32.6000111.8F40 D44 V49 E50F40-D46 HydrophobicContact CD1-CB 4.26Å; D44-D46 PolarHBondContact O-N 3.47Å; D46-V49 PolarHBondContact O-N 3.5Å; D46-E50 WeakPolarHBondContact O-CB 3.28Å; D46-E50 PolarHBondContact O-N 3.13Å
47K98.5Very high97.8Very high78 Ų7852.4 Ų52.434%0.33926%0.257SS..Hα-helixtrans-64.5-40.3177.3-171.9175.6-176.8-162.80112.4D44 M45 R51 Y159 C160D44-K47 WeakPolarHBondContact O-CB 3.44Å; D44-K47 PolarHBondContact O-N 3.02Å; M45-K47 VanDerWaalsContact C-N 3.34Å; M45-K47 PolarHBondContact O-N 3.26Å; K47-R51 WeakPolarHBondContact O-CB 3.37Å; K47-R51 PolarHBondContact O-N 3.25Å; K47-R51 VanDerWaalsContact O-N 3.09Å; K47-Y159 HydrophobicContact CD-CE1 4.33Å; K47-Y159 WeakPolarHBondContact CE-O 3.38Å; K47-Y159 HydrophobicContact CG-CD1 4.26Å; K47-Y159 HydrophobicContact CG-CE1 3.62Å; K47-Y159 PolarHBondContact NZ-O 3.32Å; K47-C160 HydrophobicContact CB-CB 4.3Å; K47-C160 HydrophobicContact CD-CB 3.79Å; K47-C160 HydrophobicContact CG-CB 3.97Å
48A98.7Very high97.8Very high0 Ų056.1 Ų56.10%027%0.274CS..Hα-helixtrans-64.3-48.9175.400000111.5D44 M45 R51 I52 I144 V162 L185D44-A48 WeakPolarHBondContact O-CB 3.24Å; D44-A48 PolarHBondContact O-N 3.5Å; M45-A48 PolarHBondContact O-N 3Å; A48-R51 PolarHBondContact O-N 3.14Å; A48-I52 WeakPolarHBondContact O-CB 3.49Å; A48-I52 VanDerWaalsContact O-CG1 3.24Å; A48-I52 WeakPolarHBondContact O-CG1 3.37Å; A48-I52 PolarHBondContact O-N 3.41Å; A48-I144 HydrophobicContact CB-CD1 4.49Å; A48-I144 HydrophobicContact CB-CG2 4.05Å; A48-V162 HydrophobicContact CB-CG2 3.67Å; A48-L185 HydrophobicContact CB-CD1 4.34Å
49V98.6Very high97.7Very high9 Ų955 Ų556%0.05528%0.283CS..Hα-helixtrans-59.8-48.6178.41700000110.9F40 M45 D46 R51 I52 Q53 L185 A188 L189F40-V49 HydrophobicContact CE1-CG2 4.35Å; M45-V49 VanDerWaalsContact O-CG2 3.29Å; M45-V49 WeakPolarHBondContact O-CG2 3.26Å; M45-V49 PolarHBondContact O-N 3.36Å; M45-V49 HydrophobicContact SD-CG2 4.43Å; D46-V49 PolarHBondContact O-N 3.5Å; V49-R51 VanDerWaalsContact C-N 3.32Å; V49-R51 PolarHBondContact O-N 2.91Å; V49-I52 PolarHBondContact O-N 3.46Å; V49-Q53 HydrophobicContact CG1-CG 4.28Å; V49-Q53 WeakPolarHBondContact O-CB 3.47Å; V49-Q53 VanDerWaalsContact O-CG 3.28Å; V49-Q53 WeakPolarHBondContact O-CG 3.35Å; V49-Q53 PolarHBondContact O-N 2.96Å; V49-L185 HydrophobicContact CG2-CD1 4.1Å; V49-A188 HydrophobicContact CG2-CB 3.65Å; V49-L189 HydrophobicContact CB-CD2 4.47Å; V49-L189 HydrophobicContact CG1-CD2 4.23Å; V49-L189 HydrophobicContact CG2-CD2 4.3Å; V49-L189 HydrophobicContact CG2-CG 4.42Å
50E98.4Very high97.6Very high114 Ų11455.5 Ų55.553%0.53329%0.285SS..Hα-helixtrans-58.2-44.8178.2-177.4-179.5176.200111.2D46 Q53 N54D46-E50 WeakPolarHBondContact O-CB 3.28Å; D46-E50 PolarHBondContact O-N 3.13Å; E50-Q53 PolarHBondContact O-N 3.31Å; E50-N54 WeakPolarHBondContact O-CB 3.14Å; E50-N54 PolarHBondContact O-N 2.73Å; E50-N54 PolarHBondContact O-ND2 3.04Å; E50-N54 VanDerWaalsContact O-ND2 3.13Å
51R98.4Very high97.5Very high19 Ų1955.7 Ų55.77%0.07228%0.282CS..Hα-helixtrans-67.4-39.8-179179.358.3-172.687.9-2.3113.2K47 A48 V49 N54 A55 L119 D142 I144 Y159K47-R51 WeakPolarHBondContact O-CB 3.37Å; K47-R51 PolarHBondContact O-N 3.25Å; K47-R51 VanDerWaalsContact O-N 3.09Å; A48-R51 PolarHBondContact O-N 3.14Å; V49-R51 VanDerWaalsContact C-N 3.32Å; V49-R51 PolarHBondContact O-N 2.91Å; R51-N54 PolarHBondContact O-N 2.61Å; R51-A55 VanDerWaalsContact NH1-CB 3.32Å; R51-A55 PolarHBondContact O-N 3.43Å; R51-L119 HydrophobicContact CG-CD1 4.11Å; R51-D142 IonicContact CZ-OD2 3.79Å; R51-D142 VanDerWaalsContact CZ-OD2 3.27Å; R51-D142 IonicContact NE-OD2 2.6Å; R51-D142 PolarHBondContact NE-OD2 2.9Å; R51-D142 IonicContact NH2-OD2 3.26Å; R51-D142 PolarHBondContact NH2-OD2 3.29Å; R51-I144 HydrophobicContact CB-CD1 4.09Å; R51-I144 HydrophobicContact CG-CD1 3.96Å; R51-Y159 HydrophobicContact CB-CD1 3.99Å; R51-Y159 HydrophobicContact CB-CE1 3.4Å; R51-Y159 VanDerWaalsContact CB-CE1 3.4Å; R51-Y159 HydrophobicContact CG-CD1 3.88Å; R51-Y159 HydrophobicContact CG-CE1 3.66Å; R51-Y159 HydrophobicContact CG-CE2 4.45Å; R51-Y159 HydrophobicContact CG-CG 4.39Å
52I98.2Very high97.5Very high0 Ų051.6 Ų51.60%026%0.261CS..Hα-helixtrans-66.4-48176.3-67.9166.8000109.4A48 V49 N54 A55 I56 L83 L119 I121 I144 L185 L189A48-I52 WeakPolarHBondContact O-CB 3.49Å; A48-I52 VanDerWaalsContact O-CG1 3.24Å; A48-I52 WeakPolarHBondContact O-CG1 3.37Å; A48-I52 PolarHBondContact O-N 3.41Å; V49-I52 PolarHBondContact O-N 3.46Å; I52-N54 VanDerWaalsContact C-N 3.29Å; I52-N54 PolarHBondContact O-N 3.03Å; I52-A55 WeakPolarHBondContact O-CB 3.37Å; I52-A55 PolarHBondContact O-N 2.87Å; I52-A55 VanDerWaalsContact O-N 3.09Å; I52-I56 HydrophobicContact CG2-CD1 3.76Å; I52-I56 HydrophobicContact CG2-CG1 4.37Å; I52-I56 VanDerWaalsContact O-CG1 3.23Å; I52-I56 WeakPolarHBondContact O-CG1 3.23Å; I52-I56 PolarHBondContact O-N 2.71Å; I52-L83 HydrophobicContact CG2-CD2 3.97Å; I52-L119 HydrophobicContact CG1-CD2 4.21Å; I52-I121 HydrophobicContact CD1-CD1 3.74Å; I52-I121 HydrophobicContact CD1-CG1 4.47Å; I52-I121 HydrophobicContact CG1-CD1 3.88Å; I52-I144 HydrophobicContact CD1-CD1 3.99Å; I52-I144 HydrophobicContact CG1-CD1 3.57Å; I52-L185 HydrophobicContact CD1-CD1 4.13Å; I52-L185 HydrophobicContact CD1-CD2 3.99Å; I52-L185 HydrophobicContact CD1-CG 4.46Å; I52-L189 HydrophobicContact CB-CD2 4.01Å; I52-L189 HydrophobicContact CD1-CD1 4.14Å; I52-L189 HydrophobicContact CD1-CD2 4.39Å; I52-L189 HydrophobicContact CG2-CD1 4.24Å; I52-L189 HydrophobicContact CG2-CD2 3.7Å
53Q97.3Very high97.5Very high76 Ų7651.6 Ų51.636%0.35526%0.261SS..Hα-helixtrans-58.2-41.3176.4-73177.2-13.400112V49 E50 I56 M57V49-Q53 HydrophobicContact CG1-CG 4.28Å; V49-Q53 WeakPolarHBondContact O-CB 3.47Å; V49-Q53 VanDerWaalsContact O-CG 3.28Å; V49-Q53 WeakPolarHBondContact O-CG 3.35Å; V49-Q53 PolarHBondContact O-N 2.96Å; E50-Q53 PolarHBondContact O-N 3.31Å; Q53-I56 PolarHBondContact O-N 3Å; Q53-M57 WeakPolarHBondContact O-CB 3.37Å; Q53-M57 VanDerWaalsContact O-CG 3.31Å; Q53-M57 WeakPolarHBondContact O-CG 3.48Å; Q53-M57 PolarHBondContact O-N 3.4Å
54N97.5Very high97.6Very high60 Ų6049 Ų4932%0.32125%0.249SC..Hα-helixtrans-62.3-43.9174-74.2-30.4000112.3E50 R51 I52 I56 M57 E58E50-N54 WeakPolarHBondContact O-CB 3.14Å; E50-N54 PolarHBondContact O-N 2.73Å; E50-N54 PolarHBondContact O-ND2 3.04Å; E50-N54 VanDerWaalsContact O-ND2 3.13Å; R51-N54 PolarHBondContact O-N 2.61Å; I52-N54 VanDerWaalsContact C-N 3.29Å; I52-N54 PolarHBondContact O-N 3.03Å; N54-I56 VanDerWaalsContact C-N 3.3Å; N54-I56 PolarHBondContact O-N 2.87Å; N54-M57 PolarHBondContact O-N 3.04Å; N54-E58 WeakPolarHBondContact O-CB 3.32Å; N54-E58 WeakPolarHBondContact O-CG 3.42Å; N54-E58 PolarHBondContact O-N 3.46Å
55A97.1Very high97.6Very high0 Ų047.5 Ų47.50%024%0.241CC..Hα-helixtrans-57-45.1173.500000111.8R51 I52 E58 G59 Q60 I62 L119R51-A55 VanDerWaalsContact NH1-CB 3.32Å; R51-A55 PolarHBondContact O-N 3.43Å; I52-A55 WeakPolarHBondContact O-CB 3.37Å; I52-A55 PolarHBondContact O-N 2.87Å; I52-A55 VanDerWaalsContact O-N 3.09Å; A55-E58 PolarHBondContact O-N 3.46Å; A55-G59 PolarHBondContact O-N 2.92Å; A55-Q60 HydrophobicContact CB-CB 3.89Å; A55-Q60 HydrophobicContact CB-CG 4.34Å; A55-Q60 WeakPolarHBondContact O-CB 3.37Å; A55-Q60 PolarHBondContact O-N 2.97Å; A55-I62 HydrophobicContact CB-CD1 3.85Å; A55-I62 HydrophobicContact CB-CG1 4.15Å; A55-L119 HydrophobicContact CB-CB 4.47Å; A55-L119 HydrophobicContact CB-CD2 3.62Å
56I96Very high97.5Very high45 Ų4547.5 Ų47.523%0.23124%0.241CC..Hα-helixtrans-63.9-47.4-179.4-64.5172.5000110.6I52 Q53 N54 E58 G59 I62 L83 I86 V88I52-I56 HydrophobicContact CG2-CD1 3.76Å; I52-I56 HydrophobicContact CG2-CG1 4.37Å; I52-I56 VanDerWaalsContact O-CG1 3.23Å; I52-I56 WeakPolarHBondContact O-CG1 3.23Å; I52-I56 PolarHBondContact O-N 2.71Å; Q53-I56 PolarHBondContact O-N 3Å; N54-I56 VanDerWaalsContact C-N 3.3Å; N54-I56 PolarHBondContact O-N 2.87Å; I56-E58 VanDerWaalsContact C-N 3.26Å; I56-E58 PolarHBondContact O-N 2.89Å; I56-G59 PolarHBondContact O-N 2.96Å; I56-G59 VanDerWaalsContact O-N 3.13Å; I56-I62 HydrophobicContact CG1-CD1 4.13Å; I56-L83 HydrophobicContact CD1-CD2 4.16Å; I56-I86 HydrophobicContact CD1-CG2 3.9Å; I56-I86 HydrophobicContact CG2-CG2 4.22Å; I56-V88 HydrophobicContact CB-CG2 4.29Å; I56-V88 HydrophobicContact CD1-CG2 3.49Å; I56-V88 VanDerWaalsContact CD1-CG2 3.49Å; I56-V88 HydrophobicContact CG1-CG1 4.28Å; I56-V88 HydrophobicContact CG1-CG2 3.45Å; I56-V88 VanDerWaalsContact CG1-CG2 3.45Å; I56-V88 HydrophobicContact CG2-CG2 3.96Å
57M95.7Very high97.4Very high159 Ų15942.7 Ų42.778%0.78322%0.215SC*.Hα-helixtrans-61.8-33.2178.4-73.7177.358.300113Q53 N54Q53-M57 WeakPolarHBondContact O-CB 3.37Å; Q53-M57 VanDerWaalsContact O-CG 3.31Å; Q53-M57 WeakPolarHBondContact O-CG 3.48Å; Q53-M57 PolarHBondContact O-N 3.4Å; N54-M57 PolarHBondContact O-N 3.04Å
58E96Very high97.2Very high139 Ų13939.7 Ų39.765%0.6520%0.202SC*.Hα-helixtrans-87-4.9178.5-69.4-176.5177.400113.8N54 A55 I56 Q60N54-E58 WeakPolarHBondContact O-CB 3.32Å; N54-E58 WeakPolarHBondContact O-CG 3.42Å; N54-E58 PolarHBondContact O-N 3.46Å; A55-E58 PolarHBondContact O-N 3.46Å; I56-E58 VanDerWaalsContact C-N 3.26Å; I56-E58 PolarHBondContact O-N 2.89Å; E58-Q60 VanDerWaalsContact C-N 3.29Å; E58-Q60 HydrophobicContact CB-CG 4.01Å; E58-Q60 PolarHBondContact O-N 2.98Å; E58-Q60 PolarHBondContact OE2-NE2 3.48Å
59G95.3Very high97.1Very high62 Ų6241.4 Ų41.464%0.63921%0.211SC*.THydrogen-bonded Turntrans65.931.4-176.300000113.3A55 I56A55-G59 PolarHBondContact O-N 2.92Å; I56-G59 PolarHBondContact O-N 2.96Å; I56-G59 VanDerWaalsContact O-N 3.13Å
60Q95.9Very high97.1Very high23 Ų2341 Ų4111%0.10721%0.208CC..PPolyproline II helixtrans-69142.7175.9-66.3-175.74.800110.6A55 E58 I62 Q118A55-Q60 HydrophobicContact CB-CB 3.89Å; A55-Q60 HydrophobicContact CB-CG 4.34Å; A55-Q60 WeakPolarHBondContact O-CB 3.37Å; A55-Q60 PolarHBondContact O-N 2.97Å; E58-Q60 VanDerWaalsContact C-N 3.29Å; E58-Q60 HydrophobicContact CB-CG 4.01Å; E58-Q60 PolarHBondContact O-N 2.98Å; E58-Q60 PolarHBondContact OE2-NE2 3.48Å; Q60-I62 PolarHBondContact O-N 3.14Å; Q60-Q118 HydrophobicContact CB-CB 4.02Å; Q60-Q118 HydrophobicContact CG-CB 4.28Å
61R96.9Very high97.1Very high109 Ų10935.6 Ų35.641%0.41118%0.183SC..PPolyproline II helixtrans-76.1121.1171-70.3-176.1169.9-177.9-5.6110.7E115 I117 Q118 L119R61-E115 PolarHBondContact NH1-O 3.29Å; R61-E115 VanDerWaalsContact NH1-O 3.15Å; R61-I117 HydrophobicContact CB-CD1 4.06Å; R61-Q118 PolarHBondContact O-N 3.47Å; R61-L119 PolarHBondContact O-N 3.02Å
62I98.3Very high97.1Very high0 Ų034.7 Ų34.70%018%0.18CC..EExtended strand (participates in β ladder)trans-102.5136.3-178.6-53-175.4000109.5A55 I56 Q60 L83 V88 H91 L119 I121A55-I62 HydrophobicContact CB-CD1 3.85Å; A55-I62 HydrophobicContact CB-CG1 4.15Å; I56-I62 HydrophobicContact CG1-CD1 4.13Å; Q60-I62 PolarHBondContact O-N 3.14Å; I62-L83 HydrophobicContact CG2-CD1 4.13Å; I62-V88 HydrophobicContact CD1-CG1 3.92Å; I62-V88 HydrophobicContact CG1-CG1 4.3Å; I62-H91 PolarHBondContact O-N 2.9Å; I62-L119 WeakPolarHBondContact CA-O 3.48Å; I62-L119 HydrophobicContact CD1-CD2 4.11Å; I62-L119 HydrophobicContact CG1-CB 4.36Å; I62-L119 HydrophobicContact CG1-CD2 4.23Å; I62-L119 HydrophobicContact CG2-CD2 4.33Å; I62-L119 HydrophobicContact CG2-CG 4.41Å; I62-I121 HydrophobicContact CG2-CD1 3.64Å; I62-I121 HydrophobicContact CG2-CG1 4.03Å
63L98.4Very high97.1Very high2 Ų234.7 Ų34.71%0.0118%0.18CC..EExtended strand (participates in β ladder)trans-110.2125.4170.4179.871.3000110.4Y65 H91 V93 K112 I117 L119 I120 I121L63-Y65 HydrophobicContact CD2-CD2 4.32Å; L63-H91 CarbonylContact C-O 3.32Å; L63-H91 WeakPolarHBondContact CA-O 3.29Å; L63-H91 HydrophobicContact CD1-CB 4.02Å; L63-V93 HydrophobicContact CD1-CB 4.35Å; L63-V93 HydrophobicContact CD1-CG1 3.94Å; L63-V93 HydrophobicContact CD2-CG1 4.13Å; L63-V93 HydrophobicContact CG-CG1 4.35Å; L63-K112 HydrophobicContact CD1-CG 4.4Å; L63-K112 HydrophobicContact CD2-CB 3.73Å; L63-K112 HydrophobicContact CD2-CG 3.78Å; L63-I117 HydrophobicContact CB-CB 4.41Å; L63-I117 HydrophobicContact CB-CD1 3.96Å; L63-I117 HydrophobicContact CB-CG1 3.98Å; L63-I117 HydrophobicContact CB-CG2 3.54Å; L63-L119 PolarHBondContact N-O 3.48Å; L63-I120 HydrophobicContact CB-CG1 4.35Å; L63-I120 HydrophobicContact CD2-CG1 4.26Å; L63-I120 CarbonylContact O-C 3.5Å; L63-I120 WeakPolarHBondContact O-CA 3.34Å; L63-I121 PolarHBondContact O-N 3.07Å
64I98.6Very high97.2Very high0 Ų031.1 Ų31.10%016%0.163CC..EExtended strand (participates in β ladder)trans-87.1124.6162.4-55.9160.3000108.2T76 M79 L80 L83 V90 H91 Y92 V93 I121 V123I64-T76 HydrophobicContact CB-CG2 4.46Å; I64-T76 HydrophobicContact CG2-CG2 3.87Å; I64-M79 VanDerWaalsContact CD1-C 3.47Å; I64-M79 HydrophobicContact CD1-CB 3.66Å; I64-M79 HydrophobicContact CG1-CB 4.08Å; I64-M79 HydrophobicContact CG2-CB 4.2Å; I64-L80 VanDerWaalsContact CD1-CA 3.5Å; I64-L80 HydrophobicContact CD1-CB 3.99Å; I64-L80 VanDerWaalsContact CD1-N 3.27Å; I64-L83 HydrophobicContact CD1-CD1 4.16Å; I64-L83 HydrophobicContact CG1-CD1 4.21Å; I64-V90 HydrophobicContact CD1-CG2 3.54Å; I64-V90 HydrophobicContact CG1-CG2 3.91Å; I64-H91 PolarHBondContact N-O 2.94Å; I64-Y92 CarbonylContact O-C 3.54Å; I64-Y92 VanDerWaalsContact O-CA 3.22Å; I64-Y92 WeakPolarHBondContact O-CA 3.43Å; I64-V93 PolarHBondContact O-N 3.01Å; I64-I121 CarbonylContact C-O 3.46Å; I64-I121 WeakPolarHBondContact CA-O 3.44Å; I64-V123 HydrophobicContact CG2-CG1 4.1Å; I64-V123 HydrophobicContact CG2-CG2 3.8Å
65Y98.3Very high97.2Very high0 Ų028.2 Ų28.20%015%0.148CC..EExtended strand (participates in β ladder)trans-115.1102.3179.2-168.2-76.2000109.5L63 V93 P95 G103 N105 L108 F109 I121 T122 V123 N125L63-Y65 HydrophobicContact CD2-CD2 4.32Å; Y65-V93 WeakPolarHBondContact CA-O 3.26Å; Y65-V93 HydrophobicContact CD2-CG1 3.51Å; Y65-V93 HydrophobicContact CE2-CG1 3.98Å; Y65-V93 HydrophobicContact CG-CG1 4.3Å; Y65-P95 HydrophobicContact CE1-CB 4.48Å; Y65-P95 HydrophobicContact CE1-CG 4.01Å; Y65-G103 PolarHBondContact OH-O 2.9Å; Y65-N105 WeakPolarHBondContact OH-CB 3.3Å; Y65-N105 PolarHBondContact OH-N 2.81Å; Y65-L108 HydrophobicContact CE2-CB 4.39Å; Y65-L108 HydrophobicContact CE2-CD2 3.58Å; Y65-L108 HydrophobicContact CE2-CG 3.9Å; Y65-F109 HydrophobicContact CD1-CE1 4.27Å; Y65-F109 AromaticContact CD2-CD1 3.96Å; Y65-F109 HydrophobicContact CD2-CD1 3.96Å; Y65-F109 AromaticContact CD2-CE1 3.49Å; Y65-F109 HydrophobicContact CD2-CE1 3.49Å; Y65-F109 VanDerWaalsContact CD2-CE1 3.49Å; Y65-F109 HydrophobicContact CE1-CE1 4.34Å; Y65-F109 AromaticContact CE2-CD1 3.74Å; Y65-F109 HydrophobicContact CE2-CD1 3.74Å; Y65-F109 AromaticContact CE2-CE1 3.53Å; Y65-F109 HydrophobicContact CE2-CE1 3.53Å; Y65-F109 AromaticContact CG-CE1 3.86Å; Y65-F109 HydrophobicContact CG-CE1 3.86Å; Y65-F109 AromaticContact CZ-CE1 3.96Å; Y65-I121 PolarHBondContact N-O 3.43Å; Y65-T122 CarbonylContact O-C 3.57Å; Y65-T122 VanDerWaalsContact O-CA 3.24Å; Y65-T122 WeakPolarHBondContact O-CA 3.28Å; Y65-V123 PolarHBondContact O-N 2.81Å; Y65-N125 HydrophobicContact CD1-CB 4.48Å; Y65-N125 VanDerWaalsContact CD1-OD1 3.28Å; Y65-N125 WeakPolarHBondContact CD1-OD1 3.48Å; Y65-N125 WeakPolarHBondContact CE1-OD1 3.42Å
66G97.7Very high97.3Very high0 Ų028.2 Ų28.20%015%0.148CC..  trans-92.4-175.2-176.700000114.5T76 V93 P95 V123 N125G66-T76 WeakPolarHBondContact CA-OG1 3.49Å; G66-V93 PolarHBondContact N-O 2.87Å; G66-P95 WeakPolarHBondContact O-CD 3.49Å; G66-V123 WeakPolarHBondContact CA-O 3.22Å; G66-N125 PolarHBondContact O-ND2 3.46Å
67D95.9Very high97.5Very high2 Ų226.1 Ų26.11%0.01114%0.137CC..  trans-105.6165.1160.1-165.632.4000112.6D69 G72 L94 Y102 D124D67-D69 VanDerWaalsContact C-N 3.32Å; D67-D69 PolarHBondContact O-N 2.98Å; D67-G72 CarbonylContact O-C 3.5Å; D67-G72 WeakPolarHBondContact O-CA 3.44Å; D67-L94 VanDerWaalsContact O-CD2 3.22Å; D67-L94 WeakPolarHBondContact O-CD2 3.15Å; D67-L94 WeakPolarHBondContact O-CG 3.33Å; D67-Y102 WeakPolarHBondContact OD2-CE2 3.37Å; D67-D124 WeakPolarHBondContact CB-O 3.28Å
68Y95.1Very high97.6Very high15 Ų1518.5 Ų18.56%0.05910%0.099CC..SBendtrans-79.1-5.9-169.948.9-123.1000115.2R97 Y102 G266Y68-R97 HydrophobicContact CD1-CB 3.61Å; Y68-R97 HydrophobicContact CD1-CG 4.29Å; Y68-R97 HydrophobicContact CE1-CB 3.58Å; Y68-R97 HydrophobicContact CE1-CG 3.75Å; Y68-R97 HydrophobicContact CG-CB 4.35Å; Y68-R97 VanDerWaalsContact CZ-NH2 3.3Å; Y68-R97 PolarHBondContact OH-NH2 3.06Å; Y68-Y102 WeakPolarHBondContact OH-CD2 3.37Å; Y68-G266 WeakPolarHBondContact O-CA 3.37Å
69D96.3Very high97.7Very high36 Ų3611.9 Ų11.919%0.1937%0.068CC..SBendtrans-99.2-178.9-17673.517.2000111.8D67 D71 G72 I73 N263D67-D69 VanDerWaalsContact C-N 3.32Å; D67-D69 PolarHBondContact O-N 2.98Å; D69-D71 VanDerWaalsContact C-N 3.27Å; D69-D71 PolarHBondContact O-N 2.96Å; D69-D71 PolarHBondContact OD1-N 3.49Å; D69-G72 PolarHBondContact O-N 3.31Å; D69-G72 PolarHBondContact OD1-N 2.93Å; D69-G72 VanDerWaalsContact OD1-N 3.1Å; D69-I73 VanDerWaalsContact O-CB 3.3Å; D69-I73 WeakPolarHBondContact O-CB 3.25Å; D69-I73 VanDerWaalsContact O-CD1 3.26Å; D69-I73 WeakPolarHBondContact O-CD1 3.21Å; D69-I73 WeakPolarHBondContact O-CG1 3.49Å; D69-I73 PolarHBondContact O-N 3.29Å; D69-N263 WeakPolarHBondContact CB-OD1 3.35Å
70A98.1Very high97.9Very high0 Ų09.2 Ų9.20%04%0.039CC..Hα-helixtrans-63.4-33.4-172.400000112.9T74 A207 L262 N263A70-T74 WeakPolarHBondContact O-CB 3.5Å; A70-T74 VanDerWaalsContact O-CG2 3.28Å; A70-T74 WeakPolarHBondContact O-CG2 3.43Å; A70-T74 PolarHBondContact O-N 3.12Å; A70-T74 PolarHBondContact O-OG1 2.85Å; A70-A207 HydrophobicContact CB-CB 3.49Å; A70-A207 VanDerWaalsContact CB-CB 3.49Å; A70-L262 HydrophobicContact CB-CB 3.84Å; A70-L262 HydrophobicContact CB-CD1 4.15Å; A70-N263 VanDerWaalsContact CB-OD1 3.29Å; A70-N263 WeakPolarHBondContact CB-OD1 3.42Å; A70-N263 PolarHBondContact N-OD1 2.98Å
71D98.4Very high98Very high1 Ų19.1 Ų9.11%0.0054%0.039CC..Hα-helixtrans-72.5-43.7177.3-164.927.5000110D69 I73 T74 S75 D124 H148 A177 G178 A179 D208D69-D71 VanDerWaalsContact C-N 3.27Å; D69-D71 PolarHBondContact O-N 2.96Å; D69-D71 PolarHBondContact OD1-N 3.49Å; D71-I73 PolarHBondContact O-N 3.1Å; D71-T74 PolarHBondContact O-N 2.96Å; D71-T74 PolarHBondContact O-OG1 2.95Å; D71-T74 VanDerWaalsContact O-OG1 3.09Å; D71-S75 VanDerWaalsContact O-CB 3.24Å; D71-S75 WeakPolarHBondContact O-CB 3.17Å; D71-S75 PolarHBondContact O-N 3.2Å; D71-S75 PolarHBondContact O-OG 2.99Å; D71-D124 VanDerWaalsContact CB-OD2 3.25Å; D71-D124 WeakPolarHBondContact CB-OD2 3.4Å; D71-H148 IonicContact OD2-NE2 2.61Å; D71-A177 WeakPolarHBondContact OD2-CB 3.26Å; D71-G178 WeakPolarHBondContact OD2-CA 3.18Å; D71-G178 PolarHBondContact OD2-N 2.97Å; D71-A179 WeakPolarHBondContact OD1-CB 3.26Å; D71-A179 PolarHBondContact OD1-N 2.87Å; D71-D208 HydrophobicContact CB-CB 4.05Å
72G98.1Very high98.1Very high0 Ų03.9 Ų3.90%02%0.019CC..Hα-helixtrans-63.6-40.1174.600000113.9D67 D69 T76 D124D67-G72 CarbonylContact O-C 3.5Å; D67-G72 WeakPolarHBondContact O-CA 3.44Å; D69-G72 PolarHBondContact O-N 3.31Å; D69-G72 PolarHBondContact OD1-N 2.93Å; D69-G72 VanDerWaalsContact OD1-N 3.1Å; G72-T76 WeakPolarHBondContact O-CB 3.35Å; G72-T76 PolarHBondContact O-N 2.89Å; G72-T76 PolarHBondContact O-OG1 3.27Å; G72-D124 WeakPolarHBondContact CA-OD2 3.39Å; G72-D124 PolarHBondContact N-OD2 2.89Å
73I98.6Very high98.1Very high0 Ų03.9 Ų3.90%02%0.019CC..Hα-helixtrans-62.5-47.8175.1-70.9159000110.7D69 D71 S77 L94 L262 I265 A274 V275 M278D69-I73 VanDerWaalsContact O-CB 3.3Å; D69-I73 WeakPolarHBondContact O-CB 3.25Å; D69-I73 VanDerWaalsContact O-CD1 3.26Å; D69-I73 WeakPolarHBondContact O-CD1 3.21Å; D69-I73 WeakPolarHBondContact O-CG1 3.49Å; D69-I73 PolarHBondContact O-N 3.29Å; D71-I73 PolarHBondContact O-N 3.1Å; I73-S77 WeakPolarHBondContact O-CB 3.41Å; I73-S77 PolarHBondContact O-N 2.76Å; I73-S77 PolarHBondContact O-OG 3.18Å; I73-L94 HydrophobicContact CB-CD2 4.41Å; I73-L94 HydrophobicContact CG1-CD2 3.51Å; I73-L262 HydrophobicContact CD1-CB 4.16Å; I73-L262 HydrophobicContact CG2-CD2 4.43Å; I73-I265 HydrophobicContact CD1-CG2 4.33Å; I73-A274 HydrophobicContact CD1-CB 3.52Å; I73-A274 HydrophobicContact CG1-CB 3.98Å; I73-A274 HydrophobicContact CG2-CB 3.94Å; I73-V275 HydrophobicContact CG2-CG2 4.21Å; I73-M278 HydrophobicContact CG2-CG 4.32Å
74T98.8Very high97.9Very high0 Ų08.5 Ų8.50%04%0.041CC..Hα-helixtrans-72.7-38.7-17852.60000111.8A70 D71 T76 S77 I78 L200 I203 G204A70-T74 WeakPolarHBondContact O-CB 3.5Å; A70-T74 VanDerWaalsContact O-CG2 3.28Å; A70-T74 WeakPolarHBondContact O-CG2 3.43Å; A70-T74 PolarHBondContact O-N 3.12Å; A70-T74 PolarHBondContact O-OG1 2.85Å; D71-T74 PolarHBondContact O-N 2.96Å; D71-T74 PolarHBondContact O-OG1 2.95Å; D71-T74 VanDerWaalsContact O-OG1 3.09Å; T74-T76 VanDerWaalsContact C-N 3.34Å; T74-T76 PolarHBondContact O-N 2.89Å; T74-S77 PolarHBondContact O-N 2.94Å; T74-I78 VanDerWaalsContact O-CG1 3.25Å; T74-I78 WeakPolarHBondContact O-CG1 3.49Å; T74-I78 PolarHBondContact O-N 3.02Å; T74-L200 WeakPolarHBondContact CB-O 3.28Å; T74-L200 HydrophobicContact CG2-CD2 4.36Å; T74-I203 HydrophobicContact CG2-CB 3.94Å; T74-I203 HydrophobicContact CG2-CG2 3.8Å; T74-G204 WeakPolarHBondContact OG1-CA 3.45Å
75S98.9Very high97.8Very high0 Ų013 Ų130%06%0.063CC..Hα-helixtrans-58.4-45172.2-56.70000112.1D71 I78 M79 G178 A179D71-S75 VanDerWaalsContact O-CB 3.24Å; D71-S75 WeakPolarHBondContact O-CB 3.17Å; D71-S75 PolarHBondContact O-N 3.2Å; D71-S75 PolarHBondContact O-OG 2.99Å; S75-I78 PolarHBondContact O-N 3.26Å; S75-M79 PolarHBondContact O-N 3.42Å; S75-M79 VanDerWaalsContact O-N 3.11Å; S75-G178 PolarHBondContact OG-O 2.89Å; S75-A179 WeakPolarHBondContact OG-CA 3.45Å; S75-A179 PolarHBondContact OG-N 2.65Å
76T98.8Very high97.7Very high0 Ų016.1 Ų16.10%08%0.079CC..Hα-helixtrans-63.4-43.5175.7-58.30000111.2I64 G66 G72 T74 I78 M79 L80 Y92 L94 V123 V275I64-T76 HydrophobicContact CB-CG2 4.46Å; I64-T76 HydrophobicContact CG2-CG2 3.87Å; G66-T76 WeakPolarHBondContact CA-OG1 3.49Å; G72-T76 WeakPolarHBondContact O-CB 3.35Å; G72-T76 PolarHBondContact O-N 2.89Å; G72-T76 PolarHBondContact O-OG1 3.27Å; T74-T76 VanDerWaalsContact C-N 3.34Å; T74-T76 PolarHBondContact O-N 2.89Å; T76-I78 PolarHBondContact O-N 3.33Å; T76-M79 PolarHBondContact O-N 2.9Å; T76-L80 VanDerWaalsContact O-CB 3.23Å; T76-L80 WeakPolarHBondContact O-CB 3.49Å; T76-L80 PolarHBondContact O-N 2.85Å; T76-Y92 HydrophobicContact CG2-CD2 4Å; T76-Y92 HydrophobicContact CG2-CG 4.04Å; T76-L94 HydrophobicContact CG2-CD1 3.73Å; T76-V123 WeakPolarHBondContact OG1-CG2 3.42Å; T76-V275 HydrophobicContact CG2-CG1 4.13Å; T76-V275 HydrophobicContact CG2-CG2 4.01Å
77S98.8Very high97.3Very high0 Ų019.2 Ų19.20%011%0.111CC..Hα-helixtrans-62.9-41179.1-55.90000111.9I73 T74 L80 E81I73-S77 WeakPolarHBondContact O-CB 3.41Å; I73-S77 PolarHBondContact O-N 2.76Å; I73-S77 PolarHBondContact O-OG 3.18Å; T74-S77 PolarHBondContact O-N 2.94Å; S77-L80 PolarHBondContact O-N 2.86Å; S77-E81 PolarHBondContact O-N 3.3Å
78I98.9Very high97.1Very high0 Ų020 Ų200%012%0.116CC..Hα-helixtrans-59.9-51175.8-72.4164.6000110.6T74 S75 T76 L80 T82 A179 A182 F183 A186 M197 L200 V201T74-I78 VanDerWaalsContact O-CG1 3.25Å; T74-I78 WeakPolarHBondContact O-CG1 3.49Å; T74-I78 PolarHBondContact O-N 3.02Å; S75-I78 PolarHBondContact O-N 3.26Å; T76-I78 PolarHBondContact O-N 3.33Å; I78-L80 VanDerWaalsContact C-N 3.35Å; I78-L80 PolarHBondContact O-N 3.49Å; I78-T82 WeakPolarHBondContact O-CB 3.25Å; I78-T82 PolarHBondContact O-N 3.14Å; I78-T82 PolarHBondContact O-OG1 2.89Å; I78-A179 HydrophobicContact CD1-CB 4Å; I78-A179 WeakPolarHBondContact CD1-O 3.38Å; I78-A182 HydrophobicContact CB-CB 4.3Å; I78-A182 HydrophobicContact CG2-CB 4.04Å; I78-F183 HydrophobicContact CD1-CB 4.44Å; I78-A186 HydrophobicContact CG2-CB 4Å; I78-M197 HydrophobicContact CG1-CB 4.41Å; I78-M197 HydrophobicContact CG2-SD 3.89Å; I78-L200 HydrophobicContact CD1-CB 3.98Å; I78-L200 HydrophobicContact CG1-CB 3.68Å; I78-L200 HydrophobicContact CG1-CD1 3.83Å; I78-L200 HydrophobicContact CG1-CG 4.42Å; I78-V201 HydrophobicContact CD1-CB 4.18Å
79M98.8Very high96.6Very high0 Ų024.1 Ų24.10%014%0.139CC..Hα-helixtrans-68.6-35-179-74-52.2-56.500112.6I64 S75 T76 T82 L83 I121 V123 A182 L185 L189I64-M79 VanDerWaalsContact CD1-C 3.47Å; I64-M79 HydrophobicContact CD1-CB 3.66Å; I64-M79 HydrophobicContact CG1-CB 4.08Å; I64-M79 HydrophobicContact CG2-CB 4.2Å; S75-M79 PolarHBondContact O-N 3.42Å; S75-M79 VanDerWaalsContact O-N 3.11Å; T76-M79 PolarHBondContact O-N 2.9Å; M79-T82 PolarHBondContact O-N 2.95Å; M79-L83 HydrophobicContact CE-CG 4.46Å; M79-L83 WeakPolarHBondContact O-CB 3.42Å; M79-L83 WeakPolarHBondContact O-CG 3.35Å; M79-L83 PolarHBondContact O-N 3.29Å; M79-I121 HydrophobicContact CE-CD1 4.46Å; M79-V123 HydrophobicContact CB-CG1 4.47Å; M79-V123 HydrophobicContact CG-CG1 3.72Å; M79-A182 HydrophobicContact CG-CB 4.14Å; M79-L185 HydrophobicContact CE-CD2 3.7Å; M79-L185 HydrophobicContact CE-CG 4.06Å; M79-L185 HydrophobicContact SD-CB 4.23Å; M79-L185 HydrophobicContact SD-CD2 3.86Å; M79-L185 HydrophobicContact SD-CG 4.05Å; M79-L189 HydrophobicContact CE-CD1 3.94Å
80L98.6Very high96.6Very high5 Ų523.2 Ų23.23%0.02614%0.135CC..Hα-helixtrans-61.2-54.8176.8177.958.4000110.1I64 T76 S77 I78 T82 L83 E84 V90 Y92 V275 T279I64-L80 VanDerWaalsContact CD1-CA 3.5Å; I64-L80 HydrophobicContact CD1-CB 3.99Å; I64-L80 VanDerWaalsContact CD1-N 3.27Å; T76-L80 VanDerWaalsContact O-CB 3.23Å; T76-L80 WeakPolarHBondContact O-CB 3.49Å; T76-L80 PolarHBondContact O-N 2.85Å; S77-L80 PolarHBondContact O-N 2.86Å; I78-L80 VanDerWaalsContact C-N 3.35Å; I78-L80 PolarHBondContact O-N 3.49Å; L80-T82 VanDerWaalsContact C-N 3.31Å; L80-T82 PolarHBondContact O-N 3.03Å; L80-L83 PolarHBondContact O-N 3.45Å; L80-E84 HydrophobicContact CD1-CG 4.16Å; L80-E84 WeakPolarHBondContact O-CB 3.39Å; L80-E84 WeakPolarHBondContact O-CG 3.4Å; L80-E84 PolarHBondContact O-N 3.29Å; L80-V90 HydrophobicContact CD1-CG1 3.57Å; L80-V90 HydrophobicContact CD1-CG2 4.27Å; L80-Y92 HydrophobicContact CD1-CD1 4.17Å; L80-Y92 HydrophobicContact CD2-CD1 3.67Å; L80-Y92 HydrophobicContact CD2-CE1 3.77Å; L80-Y92 HydrophobicContact CD2-CG 4.5Å; L80-V275 HydrophobicContact CD2-CG1 3.95Å; L80-T279 HydrophobicContact CD2-CG2 4.1Å
81E98Very high96.5Very high21 Ų2126.7 Ų26.710%0.09815%0.15CC..Hα-helixtrans-61.4-39.6178.9-75.5-178-171.900112.1S77 L83 E84 M85 M197 R232 T279S77-E81 PolarHBondContact O-N 3.3Å; E81-L83 PolarHBondContact O-N 3.02Å; E81-E84 PolarHBondContact O-N 3.45Å; E81-M85 WeakPolarHBondContact O-CB 3.45Å; E81-M85 WeakPolarHBondContact O-CE 3.31Å; E81-M85 VanDerWaalsContact O-CG 3.25Å; E81-M85 WeakPolarHBondContact O-CG 3.46Å; E81-M85 PolarHBondContact O-N 3.35Å; E81-M197 HydrophobicContact CB-CE 3.71Å; E81-R232 IonicContact OE1-CZ 2.89Å; E81-R232 IonicContact OE1-NH1 3.49Å; E81-R232 PolarHBondContact OE1-NH1 3.06Å; E81-R232 IonicContact OE1-NH2 2.93Å; E81-R232 PolarHBondContact OE1-NH2 3.31Å; E81-R232 IonicContact OE2-CZ 3.58Å; E81-R232 IonicContact OE2-NH1 3.52Å; E81-R232 IonicContact OE2-NH2 3.63Å; E81-R232 PolarHBondContact OE2-NH2 2.55Å; E81-T279 HydrophobicContact CG-CG2 4.22Å
82T98.5Very high96.5Very high0 Ų029.9 Ų29.90%016%0.163CC..Hα-helixtrans-58.2-50.8176.4-60.30000111.6I78 M79 L80 M85 I86 A186 L189 L190 M197I78-T82 WeakPolarHBondContact O-CB 3.25Å; I78-T82 PolarHBondContact O-N 3.14Å; I78-T82 PolarHBondContact O-OG1 2.89Å; M79-T82 PolarHBondContact O-N 2.95Å; L80-T82 VanDerWaalsContact C-N 3.31Å; L80-T82 PolarHBondContact O-N 3.03Å; T82-M85 PolarHBondContact O-N 3.24Å; T82-I86 HydrophobicContact CG2-CD1 4.17Å; T82-I86 WeakPolarHBondContact O-CG1 3.46Å; T82-I86 PolarHBondContact O-N 3.27Å; T82-A186 HydrophobicContact CG2-CB 3.98Å; T82-A186 WeakPolarHBondContact OG1-CB 3.44Å; T82-L189 HydrophobicContact CG2-CB 4.23Å; T82-L189 HydrophobicContact CG2-CD1 4.11Å; T82-L190 HydrophobicContact CG2-CD1 4.26Å; T82-L190 HydrophobicContact CG2-CD2 4.36Å; T82-L190 HydrophobicContact CG2-CG 4.1Å; T82-M197 VanDerWaalsContact OG1-CE 3.26Å; T82-M197 WeakPolarHBondContact OG1-CE 3.46Å
83L98.1Very high96.5Very high0 Ų030.6 Ų30.60%017%0.167CC..Hα-helixtrans-71.7-35.6-177-69.1176.9000111.8I52 I56 I62 I64 M79 L80 E81 I86 G87 V88 V90 I121I52-L83 HydrophobicContact CG2-CD2 3.97Å; I56-L83 HydrophobicContact CD1-CD2 4.16Å; I62-L83 HydrophobicContact CG2-CD1 4.13Å; I64-L83 HydrophobicContact CD1-CD1 4.16Å; I64-L83 HydrophobicContact CG1-CD1 4.21Å; M79-L83 HydrophobicContact CE-CG 4.46Å; M79-L83 WeakPolarHBondContact O-CB 3.42Å; M79-L83 WeakPolarHBondContact O-CG 3.35Å; M79-L83 PolarHBondContact O-N 3.29Å; L80-L83 PolarHBondContact O-N 3.45Å; E81-L83 PolarHBondContact O-N 3.02Å; L83-I86 PolarHBondContact O-N 2.92Å; L83-G87 PolarHBondContact O-N 3.2Å; L83-G87 VanDerWaalsContact O-N 3.17Å; L83-V88 HydrophobicContact CB-CB 4.17Å; L83-V88 HydrophobicContact CB-CG2 4.35Å; L83-V88 HydrophobicContact CD2-CG2 4.25Å; L83-V88 WeakPolarHBondContact O-CB 3.45Å; L83-V88 VanDerWaalsContact O-CG2 3.31Å; L83-V88 WeakPolarHBondContact O-CG2 3.47Å; L83-V88 PolarHBondContact O-N 3.47Å; L83-V90 HydrophobicContact CB-CB 4.04Å; L83-V90 HydrophobicContact CB-CG1 4.04Å; L83-V90 HydrophobicContact CB-CG2 4.18Å; L83-V90 HydrophobicContact CD1-CB 4.28Å; L83-V90 HydrophobicContact CD1-CG2 3.69Å; L83-I121 HydrophobicContact CD1-CD1 4.2Å
84E95.7Very high96.4Very high99 Ų9930.7 Ų30.746%0.46317%0.168SC..Hα-helixtrans-63.2-41.1172.7-73.9-177.4161.400112L80 E81 I86 G87 V90L80-E84 HydrophobicContact CD1-CG 4.16Å; L80-E84 WeakPolarHBondContact O-CB 3.39Å; L80-E84 WeakPolarHBondContact O-CG 3.4Å; L80-E84 PolarHBondContact O-N 3.29Å; E81-E84 PolarHBondContact O-N 3.45Å; E84-I86 VanDerWaalsContact C-N 3.29Å; E84-I86 PolarHBondContact O-N 3.38Å; E84-G87 WeakPolarHBondContact O-CA 3.38Å; E84-G87 PolarHBondContact O-N 2.96Å; E84-V90 HydrophobicContact CG-CG1 3.75Å
85M95.2Very high96.3Very high94 Ų9430.7 Ų30.746%0.46317%0.168SC..Hα-helixtrans-63.2-34175.6-77.4-170.4-6700113E81 T82 G87 L190 M197E81-M85 WeakPolarHBondContact O-CB 3.45Å; E81-M85 WeakPolarHBondContact O-CE 3.31Å; E81-M85 VanDerWaalsContact O-CG 3.25Å; E81-M85 WeakPolarHBondContact O-CG 3.46Å; E81-M85 PolarHBondContact O-N 3.35Å; T82-M85 PolarHBondContact O-N 3.24Å; M85-G87 PolarHBondContact O-N 3.07Å; M85-L190 HydrophobicContact CE-CD1 3.91Å; M85-M197 HydrophobicContact CE-CE 3.14Å
86I95.6Very high96Very high65 Ų6531.8 Ų31.833%0.33317%0.174SC..Hα-helixtrans-74.3-16.4174.4-62.3164.2000111.4I56 T82 L83 E84 V88 L189 L190I56-I86 HydrophobicContact CD1-CG2 3.9Å; I56-I86 HydrophobicContact CG2-CG2 4.22Å; T82-I86 HydrophobicContact CG2-CD1 4.17Å; T82-I86 WeakPolarHBondContact O-CG1 3.46Å; T82-I86 PolarHBondContact O-N 3.27Å; L83-I86 PolarHBondContact O-N 2.92Å; E84-I86 VanDerWaalsContact C-N 3.29Å; E84-I86 PolarHBondContact O-N 3.38Å; I86-V88 HydrophobicContact CB-CG2 4.17Å; I86-V88 HydrophobicContact CG2-CG2 4.1Å; I86-L189 HydrophobicContact CD1-CB 4.12Å; I86-L190 HydrophobicContact CD1-CD2 4.18Å; I86-L190 HydrophobicContact CG1-CD2 3.91Å
87G91Very high95.6Very high66 Ų6635.3 Ų35.368%0.6819%0.187SC*.THydrogen-bonded Turntrans92.528.5177.800000114.2L83 E84 M85L83-G87 PolarHBondContact O-N 3.2Å; L83-G87 VanDerWaalsContact O-N 3.17Å; E84-G87 WeakPolarHBondContact O-CA 3.38Å; E84-G87 PolarHBondContact O-N 2.96Å; M85-G87 PolarHBondContact O-N 3.07Å
88V90.3Very high95Very high18 Ų1839.3 Ų39.311%0.10921%0.205CC..  trans-88.7141.1-178.3-171.50000110.9I56 I62 L83 I86 V90I56-V88 HydrophobicContact CB-CG2 4.29Å; I56-V88 HydrophobicContact CD1-CG2 3.49Å; I56-V88 VanDerWaalsContact CD1-CG2 3.49Å; I56-V88 HydrophobicContact CG1-CG1 4.28Å; I56-V88 HydrophobicContact CG1-CG2 3.45Å; I56-V88 VanDerWaalsContact CG1-CG2 3.45Å; I56-V88 HydrophobicContact CG2-CG2 3.96Å; I62-V88 HydrophobicContact CD1-CG1 3.92Å; I62-V88 HydrophobicContact CG1-CG1 4.3Å; L83-V88 HydrophobicContact CB-CB 4.17Å; L83-V88 HydrophobicContact CB-CG2 4.35Å; L83-V88 HydrophobicContact CD2-CG2 4.25Å; L83-V88 WeakPolarHBondContact O-CB 3.45Å; L83-V88 VanDerWaalsContact O-CG2 3.31Å; L83-V88 WeakPolarHBondContact O-CG2 3.47Å; L83-V88 PolarHBondContact O-N 3.47Å; I86-V88 HydrophobicContact CB-CG2 4.17Å; I86-V88 HydrophobicContact CG2-CG2 4.1Å; V88-V90 PolarHBondContact O-N 3.29Å; V88-V90 VanDerWaalsContact O-N 3.15Å
89D85.3Confident94.5Very high102 Ų10245.4 Ų45.455%0.54524%0.236SC..  trans-76.893.3164.3-174.423.7000108.7
90V95.3Very high94Very high17 Ų1747.7 Ų47.710%0.10325%0.246CC..EExtended strand (participates in β ladder)trans-107.4136.5-173.754.70000110.7I64 L80 L83 E84 V88I64-V90 HydrophobicContact CD1-CG2 3.54Å; I64-V90 HydrophobicContact CG1-CG2 3.91Å; L80-V90 HydrophobicContact CD1-CG1 3.57Å; L80-V90 HydrophobicContact CD1-CG2 4.27Å; L83-V90 HydrophobicContact CB-CB 4.04Å; L83-V90 HydrophobicContact CB-CG1 4.04Å; L83-V90 HydrophobicContact CB-CG2 4.18Å; L83-V90 HydrophobicContact CD1-CB 4.28Å; L83-V90 HydrophobicContact CD1-CG2 3.69Å; E84-V90 HydrophobicContact CG-CG1 3.75Å; V88-V90 PolarHBondContact O-N 3.29Å; V88-V90 VanDerWaalsContact O-N 3.15Å
91H97.4Very high93.3Very high72 Ų7248.7 Ų48.733%0.33326%0.258SS..EExtended strand (participates in β ladder)trans-108.3153.7170.6-61.8-82.4000109.4I62 L63 I64 I117I62-H91 PolarHBondContact O-N 2.9Å; L63-H91 CarbonylContact C-O 3.32Å; L63-H91 WeakPolarHBondContact CA-O 3.29Å; L63-H91 HydrophobicContact CD1-CB 4.02Å; I64-H91 PolarHBondContact N-O 2.94Å; H91-I117 HydrophobicContact CB-CD1 4.12Å
92Y98.2Very high92.6Very high69 Ų6953 Ų5327%0.27127%0.274SS..EExtended strand (participates in β ladder)trans-133.5156.5169.772.7-89.8000111.2I64 T76 L80 L94 N272 V275I64-Y92 CarbonylContact O-C 3.54Å; I64-Y92 VanDerWaalsContact O-CA 3.22Å; I64-Y92 WeakPolarHBondContact O-CA 3.43Å; T76-Y92 HydrophobicContact CG2-CD2 4Å; T76-Y92 HydrophobicContact CG2-CG 4.04Å; L80-Y92 HydrophobicContact CD1-CD1 4.17Å; L80-Y92 HydrophobicContact CD2-CD1 3.67Å; L80-Y92 HydrophobicContact CD2-CE1 3.77Å; L80-Y92 HydrophobicContact CD2-CG 4.5Å; Y92-L94 HydrophobicContact CD2-CD1 4.07Å; Y92-N272 HydrophobicContact CE2-CB 4.44Å; Y92-V275 HydrophobicContact CD1-CG1 4.45Å; Y92-V275 HydrophobicContact CD2-CB 4.23Å; Y92-V275 HydrophobicContact CD2-CG1 4.01Å; Y92-V275 HydrophobicContact CD2-CG2 4.31Å; Y92-V275 HydrophobicContact CE1-CG1 4.14Å; Y92-V275 HydrophobicContact CE2-CB 3.62Å; Y92-V275 HydrophobicContact CE2-CG1 3.68Å; Y92-V275 HydrophobicContact CE2-CG2 4.06Å; Y92-V275 HydrophobicContact CG-CG1 4.38Å
93V97.9Very high92Very high14 Ų1453.2 Ų53.29%0.08528%0.277CS..EExtended strand (participates in β ladder)trans-149.8136.2168.669.30000110.3L63 I64 Y65 G66 L108L63-V93 HydrophobicContact CD1-CB 4.35Å; L63-V93 HydrophobicContact CD1-CG1 3.94Å; L63-V93 HydrophobicContact CD2-CG1 4.13Å; L63-V93 HydrophobicContact CG-CG1 4.35Å; I64-V93 PolarHBondContact O-N 3.01Å; Y65-V93 WeakPolarHBondContact CA-O 3.26Å; Y65-V93 HydrophobicContact CD2-CG1 3.51Å; Y65-V93 HydrophobicContact CE2-CG1 3.98Å; Y65-V93 HydrophobicContact CG-CG1 4.3Å; G66-V93 PolarHBondContact N-O 2.87Å; V93-L108 HydrophobicContact CG1-CD2 4.37Å; V93-L108 HydrophobicContact CG2-CD1 4.44Å; V93-L108 HydrophobicContact CG2-CD2 4.14Å
94L97.5Very high91.7Very high2 Ų254.1 Ų54.11%0.0128%0.283CS..  trans-105.6130.4165.9-79.461000108.4D67 I73 T76 Y92 P271 N272 V275D67-L94 VanDerWaalsContact O-CD2 3.22Å; D67-L94 WeakPolarHBondContact O-CD2 3.15Å; D67-L94 WeakPolarHBondContact O-CG 3.33Å; I73-L94 HydrophobicContact CB-CD2 4.41Å; I73-L94 HydrophobicContact CG1-CD2 3.51Å; T76-L94 HydrophobicContact CG2-CD1 3.73Å; Y92-L94 HydrophobicContact CD2-CD1 4.07Å; L94-P271 HydrophobicContact CB-CB 4.17Å; L94-P271 HydrophobicContact CB-CG 3.53Å; L94-P271 HydrophobicContact CD2-CB 3.99Å; L94-P271 HydrophobicContact CD2-CG 4.28Å; L94-N272 PolarHBondContact N-OD1 2.71Å; L94-N272 PolarHBondContact O-ND2 3.46Å; L94-V275 HydrophobicContact CD1-CG2 3.56Å; L94-V275 HydrophobicContact CD2-CG2 3.77Å; L94-V275 HydrophobicContact CG-CG2 4.36Å
95P95.2Very high91.6Very high0 Ų050.5 Ų50.50%027%0.266CS..  trans-68.8136.9-17927.7-32.8000111.2Y65 G66 R97 H100 L108Y65-P95 HydrophobicContact CE1-CB 4.48Å; Y65-P95 HydrophobicContact CE1-CG 4.01Å; G66-P95 WeakPolarHBondContact O-CD 3.49Å; P95-R97 PolarHBondContact O-N 3.43Å; P95-H100 HydrophobicContact CB-CB 3.93Å; P95-L108 HydrophobicContact CB-CD2 4.29Å
96N92.7Very high91.6Very high24 Ų2449 Ų4913%0.12826%0.257CS..  trans-68.2119.5164.2-174.1-69.4000111.5F98 I99 H100 G269N96-F98 PolarHBondContact O-N 3.09Å; N96-F98 VanDerWaalsContact O-N 3.12Å; N96-F98 WeakPolarHBondContact OD1-CA 3.42Å; N96-F98 WeakPolarHBondContact OD1-CB 3.48Å; N96-F98 WeakPolarHBondContact OD1-CD2 3.25Å; N96-F98 PolarHBondContact OD1-N 2.76Å; N96-I99 HydrophobicContact CB-CB 4.22Å; N96-I99 HydrophobicContact CB-CD1 4.16Å; N96-I99 HydrophobicContact CB-CG1 4.27Å; N96-I99 PolarHBondContact O-N 3.23Å; N96-I99 VanDerWaalsContact O-N 3.16Å; N96-I99 PolarHBondContact OD1-N 3.17Å; N96-H100 PolarHBondContact N-ND1 3.1Å; N96-H100 PolarHBondContact O-N 3.1Å; N96-H100 PolarHBondContact O-ND1 2.86Å; N96-G269 PolarHBondContact ND2-O 3.25Å
97R89.9Confident91.6Very high73 Ų7351.9 Ų51.928%0.27527%0.269SS..THydrogen-bonded Turntrans-50.7-36.4179.2-177.3-176.3-73.5-110.35.9114.3Y68 P95 G101Y68-R97 HydrophobicContact CD1-CB 3.61Å; Y68-R97 HydrophobicContact CD1-CG 4.29Å; Y68-R97 HydrophobicContact CE1-CB 3.58Å; Y68-R97 HydrophobicContact CE1-CG 3.75Å; Y68-R97 HydrophobicContact CG-CB 4.35Å; Y68-R97 VanDerWaalsContact CZ-NH2 3.3Å; Y68-R97 PolarHBondContact OH-NH2 3.06Å; P95-R97 PolarHBondContact O-N 3.43Å; R97-G101 WeakPolarHBondContact O-CA 3.24Å; R97-G101 PolarHBondContact O-N 3.29Å
98F87Confident91.9Very high85 Ų8549 Ų4937%0.37324%0.238SC..THydrogen-bonded Turntrans-83.7-28.7-174.5-52.6-72.9000113.1N96 R267 P331N96-F98 PolarHBondContact O-N 3.09Å; N96-F98 VanDerWaalsContact O-N 3.12Å; N96-F98 WeakPolarHBondContact OD1-CA 3.42Å; N96-F98 WeakPolarHBondContact OD1-CB 3.48Å; N96-F98 WeakPolarHBondContact OD1-CD2 3.25Å; N96-F98 PolarHBondContact OD1-N 2.76Å; F98-R267 WeakPolarHBondContact CZ-O 3.39Å; F98-P331 HydrophobicContact CD1-CG 4.11Å; F98-P331 HydrophobicContact CE1-CG 3.87Å
99I88.4Confident92.2Very high127 Ų12748.2 Ų48.265%0.65123%0.233SC*.THydrogen-bonded Turntrans-94.6-49.3-176.5-57.2173.2000110.5N96N96-I99 HydrophobicContact CB-CB 4.22Å; N96-I99 HydrophobicContact CB-CD1 4.16Å; N96-I99 HydrophobicContact CB-CG1 4.27Å; N96-I99 PolarHBondContact O-N 3.23Å; N96-I99 VanDerWaalsContact O-N 3.16Å; N96-I99 PolarHBondContact OD1-N 3.17Å
100H88.4Confident92.8Very high48 Ų4844.4 Ų44.422%0.22222%0.216CC..THydrogen-bonded Turntrans-101.9-19.7-170.4-47.5113.8000113P95 N96 N105P95-H100 HydrophobicContact CB-CB 3.93Å; N96-H100 PolarHBondContact N-ND1 3.1Å; N96-H100 PolarHBondContact O-N 3.1Å; N96-H100 PolarHBondContact O-ND1 2.86Å; H100-N105 HydrophobicContact CB-CB 3.9Å; H100-N105 PolarHBondContact O-ND2 3.3Å
101G84.1Confident92.9Very high27 Ų2747.8 Ų47.828%0.27823%0.231SC..  trans81.6-159.8-174.100000112.8R97R97-G101 WeakPolarHBondContact O-CA 3.24Å; R97-G101 PolarHBondContact O-N 3.29Å
102Y82Confident93Very high111 Ų11146 Ų4644%0.43522%0.222SC..SBendtrans-96.4143.5173.3174.2-107.7000110.1D67 Y68 G126 H149D67-Y102 WeakPolarHBondContact OD2-CE2 3.37Å; Y68-Y102 WeakPolarHBondContact OH-CD2 3.37Å; Y102-G126 PolarHBondContact OH-N 2.89Å; Y102-H149 PolarHBondContact OH-CE1 3.43Å; Y102-H149 VanDerWaalsContact OH-CE1 3.28Å; Y102-H149 PolarHBondContact OH-ND1 3.49Å; Y102-H149 PolarHBondContact OH-NE2 3.34Å
103G86.9Confident92.9Very high5 Ų543.7 Ų43.75%0.05221%0.214CC..SBendtrans81.5-172.417800000115.9Y65 N105 N125Y65-G103 PolarHBondContact OH-O 2.9Å; G103-N105 PolarHBondContact O-N 3.4Å; G103-N125 WeakPolarHBondContact CA-O 3.47Å; G103-N125 WeakPolarHBondContact CA-OD1 3.42Å; G103-N125 PolarHBondContact O-OD1 3.43Å
104P91.3Very high92.9Very high19 Ų1949.6 Ų49.612%0.12325%0.245CC..  trans-62.5121.1-177-2837.8000111.2F109 N125 A128 A132P104-F109 HydrophobicContact CB-CE1 4.22Å; P104-F109 HydrophobicContact CB-CE2 4.29Å; P104-F109 HydrophobicContact CB-CZ 3.77Å; P104-N125 WeakPolarHBondContact CD-O 3.43Å; P104-N125 WeakPolarHBondContact CD-OD1 3.29Å; P104-N125 WeakPolarHBondContact CG-OD1 3.45Å; P104-A128 VanDerWaalsContact CD-O 3.26Å; P104-A128 WeakPolarHBondContact CD-O 3.44Å; P104-A128 WeakPolarHBondContact CG-O 3.3Å; P104-A132 HydrophobicContact CB-CB 3.82Å
105N93.7Very high92.9Very high22 Ų2254.3 Ų54.312%0.11827%0.267CS..  trans-104.4125.2179.5177.6-89.8000110.9Y65 H100 G103 E107 L108 F109Y65-N105 WeakPolarHBondContact OH-CB 3.3Å; Y65-N105 PolarHBondContact OH-N 2.81Å; H100-N105 HydrophobicContact CB-CB 3.9Å; H100-N105 PolarHBondContact O-ND2 3.3Å; G103-N105 PolarHBondContact O-N 3.4Å; N105-E107 PolarHBondContact ND2-OE2 3.29Å; N105-E107 PolarHBondContact O-N 3.29Å; N105-E107 WeakPolarHBondContact OD1-CB 3.43Å; N105-E107 PolarHBondContact OD1-N 3.48Å; N105-E107 VanDerWaalsContact OD1-N 3.13Å; N105-E107 PolarHBondContact OD1-OE2 2.93Å; N105-L108 HydrophobicContact CB-CB 4.19Å; N105-L108 PolarHBondContact O-N 3.37Å; N105-L108 PolarHBondContact OD1-N 3.11Å; N105-F109 WeakPolarHBondContact O-CB 3.4Å; N105-F109 WeakPolarHBondContact O-CD1 3.25Å; N105-F109 PolarHBondContact O-N 3.09Å
106K95.4Very high93Very high64 Ų6455.9 Ų55.928%0.27828%0.283SS..Hα-helixtrans-62.5-43.1-176.1-177.2-168.5-170.7174.50112.8F109 A110 E131 A132 F135K106-F109 PolarHBondContact O-N 2.88Å; K106-A110 WeakPolarHBondContact O-CB 3.3Å; K106-A110 PolarHBondContact O-N 3.19Å; K106-E131 HydrophobicContact CD-CG 4.04Å; K106-E131 WeakPolarHBondContact CD-OE1 3.29Å; K106-E131 IonicContact NZ-OE1 3.3Å; K106-E131 PolarHBondContact NZ-OE1 2.63Å; K106-A132 HydrophobicContact CB-CB 4.25Å; K106-F135 HydrophobicContact CG-CB 3.99Å; K106-F135 HydrophobicContact CG-CD1 4.26Å; K106-F135 HydrophobicContact CG-CG 3.99Å
107E96.2Very high93.2Very high124 Ų12455.1 Ų55.158%0.57928%0.279SS*.Hα-helixtrans-64.8-42.3-179.2-68.368.1-148.400111.1N105 A110 E111N105-E107 PolarHBondContact ND2-OE2 3.29Å; N105-E107 PolarHBondContact O-N 3.29Å; N105-E107 WeakPolarHBondContact OD1-CB 3.43Å; N105-E107 PolarHBondContact OD1-N 3.48Å; N105-E107 VanDerWaalsContact OD1-N 3.13Å; N105-E107 PolarHBondContact OD1-OE2 2.93Å; E107-A110 WeakPolarHBondContact O-CB 3.42Å; E107-A110 PolarHBondContact O-N 2.98Å; E107-E111 PolarHBondContact O-N 2.82Å
108L96.3Very high93.6Very high7 Ų755.9 Ų55.94%0.03729%0.286CS..Hα-helixtrans-68.8-39.1176.9-173.154.4000111.6Y65 V93 P95 N105 A110 E111 K112Y65-L108 HydrophobicContact CE2-CB 4.39Å; Y65-L108 HydrophobicContact CE2-CD2 3.58Å; Y65-L108 HydrophobicContact CE2-CG 3.9Å; V93-L108 HydrophobicContact CG1-CD2 4.37Å; V93-L108 HydrophobicContact CG2-CD1 4.44Å; V93-L108 HydrophobicContact CG2-CD2 4.14Å; P95-L108 HydrophobicContact CB-CD2 4.29Å; N105-L108 HydrophobicContact CB-CB 4.19Å; N105-L108 PolarHBondContact O-N 3.37Å; N105-L108 PolarHBondContact OD1-N 3.11Å; L108-A110 VanDerWaalsContact C-N 3.34Å; L108-A110 PolarHBondContact O-N 3.47Å; L108-E111 WeakPolarHBondContact O-CB 3.35Å; L108-E111 PolarHBondContact O-N 3.41Å; L108-K112 HydrophobicContact CD1-CG 4.45Å; L108-K112 WeakPolarHBondContact O-CG 3.24Å; L108-K112 PolarHBondContact O-N 3.36Å
109F97.4Very high94.1Very high0 Ų051.9 Ų51.90%027%0.268CS..Hα-helixtrans-58.7-47.1170.2-84.425.2000111Y65 P104 N105 K106 E111 K112 I113 I120 T122 A132 A136 V143Y65-F109 HydrophobicContact CD1-CE1 4.27Å; Y65-F109 AromaticContact CD2-CD1 3.96Å; Y65-F109 HydrophobicContact CD2-CD1 3.96Å; Y65-F109 AromaticContact CD2-CE1 3.49Å; Y65-F109 HydrophobicContact CD2-CE1 3.49Å; Y65-F109 VanDerWaalsContact CD2-CE1 3.49Å; Y65-F109 HydrophobicContact CE1-CE1 4.34Å; Y65-F109 AromaticContact CE2-CD1 3.74Å; Y65-F109 HydrophobicContact CE2-CD1 3.74Å; Y65-F109 AromaticContact CE2-CE1 3.53Å; Y65-F109 HydrophobicContact CE2-CE1 3.53Å; Y65-F109 AromaticContact CG-CE1 3.86Å; Y65-F109 HydrophobicContact CG-CE1 3.86Å; Y65-F109 AromaticContact CZ-CE1 3.96Å; P104-F109 HydrophobicContact CB-CE1 4.22Å; P104-F109 HydrophobicContact CB-CE2 4.29Å; P104-F109 HydrophobicContact CB-CZ 3.77Å; N105-F109 WeakPolarHBondContact O-CB 3.4Å; N105-F109 WeakPolarHBondContact O-CD1 3.25Å; N105-F109 PolarHBondContact O-N 3.09Å; K106-F109 PolarHBondContact O-N 2.88Å; F109-E111 VanDerWaalsContact C-N 3.34Å; F109-E111 PolarHBondContact O-N 3.06Å; F109-K112 PolarHBondContact O-N 3.4Å; F109-I113 WeakPolarHBondContact O-CB 3.47Å; F109-I113 WeakPolarHBondContact O-CG1 3.39Å; F109-I113 PolarHBondContact O-N 2.94Å; F109-I120 HydrophobicContact CD1-CD1 4.32Å; F109-I120 HydrophobicContact CD2-CD1 3.89Å; F109-I120 HydrophobicContact CE1-CD1 4.46Å; F109-I120 HydrophobicContact CE1-CG2 4.31Å; F109-I120 HydrophobicContact CE2-CD1 4.05Å; F109-I120 HydrophobicContact CG-CD1 4.03Å; F109-I120 HydrophobicContact CZ-CD1 4.32Å; F109-I120 HydrophobicContact CZ-CG2 4.02Å; F109-T122 HydrophobicContact CZ-CG2 4.2Å; F109-A132 HydrophobicContact CD2-CB 3.9Å; F109-A132 WeakPolarHBondContact CD2-O 3.42Å; F109-A132 HydrophobicContact CE2-CB 4.04Å; F109-A132 HydrophobicContact CG-CB 4.4Å; F109-A136 HydrophobicContact CD2-CB 4.11Å; F109-V143 HydrophobicContact CE2-CG2 4.12Å
110A97.9Very high94.6Very high22 Ų2245.8 Ų45.818%0.18224%0.237CC..Hα-helixtrans-60.5-41.9177.500000112.4K106 E107 L108 N114 F135K106-A110 WeakPolarHBondContact O-CB 3.3Å; K106-A110 PolarHBondContact O-N 3.19Å; E107-A110 WeakPolarHBondContact O-CB 3.42Å; E107-A110 PolarHBondContact O-N 2.98Å; L108-A110 VanDerWaalsContact C-N 3.34Å; L108-A110 PolarHBondContact O-N 3.47Å; A110-N114 WeakPolarHBondContact O-CB 3.39Å; A110-N114 PolarHBondContact O-N 2.7Å; A110-N114 PolarHBondContact O-ND2 3.46Å; A110-F135 HydrophobicContact CB-CD1 4.43Å; A110-F135 HydrophobicContact CB-CE1 3.47Å; A110-F135 VanDerWaalsContact CB-CE1 3.47Å; A110-F135 HydrophobicContact CB-CZ 3.58Å
111E98Very high95.1Very high89 Ų8943.5 Ų43.542%0.41623%0.226SC..Hα-helixtrans-56.8-53.4173.8-175.1-170.6122.600111E107 L108 F109 N114 E115E107-E111 PolarHBondContact O-N 2.82Å; L108-E111 WeakPolarHBondContact O-CB 3.35Å; L108-E111 PolarHBondContact O-N 3.41Å; F109-E111 VanDerWaalsContact C-N 3.34Å; F109-E111 PolarHBondContact O-N 3.06Å; E111-N114 WeakPolarHBondContact O-CB 3.3Å; E111-N114 PolarHBondContact O-N 2.72Å; E111-E115 WeakPolarHBondContact O-CG 3.26Å; E111-E115 PolarHBondContact O-N 3.04Å; E111-E115 VanDerWaalsContact O-N 3.07Å
112K97.8Very high95.8Very high33 Ų3342.2 Ų42.214%0.14321%0.213CC..Hα-helixtrans-68.9-36.8-176.3-62.3-44-178.4-1590113.4L63 L108 F109 N114 E115 G116 I117L63-K112 HydrophobicContact CD1-CG 4.4Å; L63-K112 HydrophobicContact CD2-CB 3.73Å; L63-K112 HydrophobicContact CD2-CG 3.78Å; L108-K112 HydrophobicContact CD1-CG 4.45Å; L108-K112 WeakPolarHBondContact O-CG 3.24Å; L108-K112 PolarHBondContact O-N 3.36Å; F109-K112 PolarHBondContact O-N 3.4Å; K112-N114 VanDerWaalsContact C-N 3.3Å; K112-N114 PolarHBondContact O-N 3.07Å; K112-E115 WeakPolarHBondContact CD-OE2 3.1Å; K112-E115 IonicContact NZ-OE1 2.96Å; K112-E115 PolarHBondContact NZ-OE1 3.28Å; K112-E115 IonicContact NZ-OE2 2.87Å; K112-E115 PolarHBondContact NZ-OE2 2.76Å; K112-E115 WeakPolarHBondContact O-CB 3.32Å; K112-E115 PolarHBondContact O-N 3.01Å; K112-E115 VanDerWaalsContact O-N 3.11Å; K112-G116 PolarHBondContact O-N 2.94Å; K112-I117 HydrophobicContact CB-CG1 3.98Å; K112-I117 WeakPolarHBondContact O-CB 3.35Å; K112-I117 VanDerWaalsContact O-CG1 3.24Å; K112-I117 WeakPolarHBondContact O-CG1 3.35Å; K112-I117 PolarHBondContact O-N 2.83Å
113I98Very high96.5Very high21 Ų2137 Ų3711%0.10819%0.192CC..Hα-helixtrans-62.9-39.9172.7-67.7170.7000110.5F109 E115 G116 I120 F135 A136 Q139 V141F109-I113 WeakPolarHBondContact O-CB 3.47Å; F109-I113 WeakPolarHBondContact O-CG1 3.39Å; F109-I113 PolarHBondContact O-N 2.94Å; I113-E115 VanDerWaalsContact C-N 3.26Å; I113-E115 PolarHBondContact O-N 3.19Å; I113-G116 WeakPolarHBondContact O-CA 3.22Å; I113-G116 PolarHBondContact O-N 3.05Å; I113-I120 HydrophobicContact CD1-CD1 4.32Å; I113-I120 HydrophobicContact CG1-CD1 4.36Å; I113-F135 HydrophobicContact CD1-CD1 4.49Å; I113-F135 HydrophobicContact CD1-CE1 4.14Å; I113-A136 HydrophobicContact CD1-CB 3.96Å; I113-Q139 HydrophobicContact CD1-CB 4.44Å; I113-Q139 HydrophobicContact CG2-CB 4.01Å; I113-Q139 HydrophobicContact CG2-CG 4.33Å; I113-V141 HydrophobicContact CD1-CB 4.05Å; I113-V141 HydrophobicContact CD1-CG1 4.25Å; I113-V141 HydrophobicContact CD1-CG2 4.12Å; I113-V141 HydrophobicContact CG1-CB 4.3Å; I113-V141 HydrophobicContact CG1-CG1 4.24Å; I113-V141 HydrophobicContact CG1-CG2 4Å; I113-V141 HydrophobicContact CG2-CG2 3.97Å
114N97.7Very high97Very high138 Ų13836.8 Ų36.874%0.73819%0.19SC*.Hα-helixtrans-66.9-24.8174.7-73.2-41.2000113.3A110 E111 K112 G116A110-N114 WeakPolarHBondContact O-CB 3.39Å; A110-N114 PolarHBondContact O-N 2.7Å; A110-N114 PolarHBondContact O-ND2 3.46Å; E111-N114 WeakPolarHBondContact O-CB 3.3Å; E111-N114 PolarHBondContact O-N 2.72Å; K112-N114 VanDerWaalsContact C-N 3.3Å; K112-N114 PolarHBondContact O-N 3.07Å; N114-G116 PolarHBondContact O-N 2.87Å
115E97.3Very high97Very high102 Ų10235.9 Ų35.948%0.47718%0.184SC..THydrogen-bonded Turntrans-76.5-4.5170.8-67.7173.2177.400113.2R61 E111 K112 I113R61-E115 PolarHBondContact NH1-O 3.29Å; R61-E115 VanDerWaalsContact NH1-O 3.15Å; E111-E115 WeakPolarHBondContact O-CG 3.26Å; E111-E115 PolarHBondContact O-N 3.04Å; E111-E115 VanDerWaalsContact O-N 3.07Å; K112-E115 WeakPolarHBondContact CD-OE2 3.1Å; K112-E115 IonicContact NZ-OE1 2.96Å; K112-E115 PolarHBondContact NZ-OE1 3.28Å; K112-E115 IonicContact NZ-OE2 2.87Å; K112-E115 PolarHBondContact NZ-OE2 2.76Å; K112-E115 WeakPolarHBondContact O-CB 3.32Å; K112-E115 PolarHBondContact O-N 3.01Å; K112-E115 VanDerWaalsContact O-N 3.11Å; I113-E115 VanDerWaalsContact C-N 3.26Å; I113-E115 PolarHBondContact O-N 3.19Å
116G96.8Very high96.7Very high32 Ų3235 Ų3533%0.3318%0.181SC..THydrogen-bonded Turntrans98.818.2174.200000114.9K112 I113 N114K112-G116 PolarHBondContact O-N 2.94Å; I113-G116 WeakPolarHBondContact O-CA 3.22Å; I113-G116 PolarHBondContact O-N 3.05Å; N114-G116 PolarHBondContact O-N 2.87Å
117I97.8Very high96.1Very high8 Ų832.1 Ų32.14%0.04117%0.169CC..  trans-64.3137.9170-64.1-55.1000110.4R61 L63 H91 K112 L119 I120R61-I117 HydrophobicContact CB-CD1 4.06Å; L63-I117 HydrophobicContact CB-CB 4.41Å; L63-I117 HydrophobicContact CB-CD1 3.96Å; L63-I117 HydrophobicContact CB-CG1 3.98Å; L63-I117 HydrophobicContact CB-CG2 3.54Å; H91-I117 HydrophobicContact CB-CD1 4.12Å; K112-I117 HydrophobicContact CB-CG1 3.98Å; K112-I117 WeakPolarHBondContact O-CB 3.35Å; K112-I117 VanDerWaalsContact O-CG1 3.24Å; K112-I117 WeakPolarHBondContact O-CG1 3.35Å; K112-I117 PolarHBondContact O-N 2.83Å; I117-L119 WeakPolarHBondContact CG2-O 2.9Å; I117-I120 HydrophobicContact CG2-CG1 3.88Å
118Q97.5Very high95.1Very high90 Ų9029 Ų2942%0.42116%0.164SC..  trans-123.7-13.1-174.8-66176.6-93.400113.8Q60 R61Q60-Q118 HydrophobicContact CB-CB 4.02Å; Q60-Q118 HydrophobicContact CG-CB 4.28Å; R61-Q118 PolarHBondContact O-N 3.47Å
119L98.3Very high94.4Very high0 Ų029.5 Ų29.50%017%0.171CC..EExtended strand (participates in β ladder)trans-143.8134.3172.1175.263.9000108.6R51 I52 A55 R61 I62 L63 I117 I121 D142 I144R51-L119 HydrophobicContact CG-CD1 4.11Å; I52-L119 HydrophobicContact CG1-CD2 4.21Å; A55-L119 HydrophobicContact CB-CB 4.47Å; A55-L119 HydrophobicContact CB-CD2 3.62Å; R61-L119 PolarHBondContact O-N 3.02Å; I62-L119 WeakPolarHBondContact CA-O 3.48Å; I62-L119 HydrophobicContact CD1-CD2 4.11Å; I62-L119 HydrophobicContact CG1-CB 4.36Å; I62-L119 HydrophobicContact CG1-CD2 4.23Å; I62-L119 HydrophobicContact CG2-CD2 4.33Å; I62-L119 HydrophobicContact CG2-CG 4.41Å; L63-L119 PolarHBondContact N-O 3.48Å; I117-L119 WeakPolarHBondContact CG2-O 2.9Å; L119-I121 HydrophobicContact CG-CG1 4.44Å; L119-D142 HydrophobicContact CD1-CB 3.95Å; L119-I144 HydrophobicContact CD1-CD1 4.02Å; L119-I144 HydrophobicContact CD1-CG1 4.1Å; L119-I144 HydrophobicContact CD2-CD1 4.37Å
120I98.3Very high94Very high0 Ų032.3 Ų32.30%019%0.186CC..EExtended strand (participates in β ladder)trans-113.6132174.2-60171.1000108.7L63 F109 I113 I117 T122 A136 V141 D142 V143 I144L63-I120 HydrophobicContact CB-CG1 4.35Å; L63-I120 HydrophobicContact CD2-CG1 4.26Å; L63-I120 CarbonylContact O-C 3.5Å; L63-I120 WeakPolarHBondContact O-CA 3.34Å; F109-I120 HydrophobicContact CD1-CD1 4.32Å; F109-I120 HydrophobicContact CD2-CD1 3.89Å; F109-I120 HydrophobicContact CE1-CD1 4.46Å; F109-I120 HydrophobicContact CE1-CG2 4.31Å; F109-I120 HydrophobicContact CE2-CD1 4.05Å; F109-I120 HydrophobicContact CG-CD1 4.03Å; F109-I120 HydrophobicContact CZ-CD1 4.32Å; F109-I120 HydrophobicContact CZ-CG2 4.02Å; I113-I120 HydrophobicContact CD1-CD1 4.32Å; I113-I120 HydrophobicContact CG1-CD1 4.36Å; I117-I120 HydrophobicContact CG2-CG1 3.88Å; I120-T122 HydrophobicContact CG2-CG2 4.18Å; I120-A136 HydrophobicContact CD1-CB 4.46Å; I120-V141 HydrophobicContact CD1-CG1 4.02Å; I120-V141 HydrophobicContact CG1-CG1 3.96Å; I120-D142 PolarHBondContact N-O 2.82Å; I120-V143 HydrophobicContact CB-CG1 4.38Å; I120-V143 HydrophobicContact CB-CG2 4.29Å; I120-V143 HydrophobicContact CD1-CG2 4.46Å; I120-V143 HydrophobicContact CG2-CG1 4.29Å; I120-V143 CarbonylContact O-C 3.19Å; I120-V143 WeakPolarHBondContact O-CA 3.47Å; I120-I144 PolarHBondContact O-N 3.25Å
121I98.5Very high93.7Very high0 Ų037.2 Ų37.20%021%0.205CC..EExtended strand (participates in β ladder)trans-116.7108.1172.1-53.5171.3000106.6I52 I62 L63 I64 Y65 M79 L83 L119 V123 I144 T146 L185I52-I121 HydrophobicContact CD1-CD1 3.74Å; I52-I121 HydrophobicContact CD1-CG1 4.47Å; I52-I121 HydrophobicContact CG1-CD1 3.88Å; I62-I121 HydrophobicContact CG2-CD1 3.64Å; I62-I121 HydrophobicContact CG2-CG1 4.03Å; L63-I121 PolarHBondContact O-N 3.07Å; I64-I121 CarbonylContact C-O 3.46Å; I64-I121 WeakPolarHBondContact CA-O 3.44Å; Y65-I121 PolarHBondContact N-O 3.43Å; M79-I121 HydrophobicContact CE-CD1 4.46Å; L83-I121 HydrophobicContact CD1-CD1 4.2Å; L119-I121 HydrophobicContact CG-CG1 4.44Å; I121-V123 HydrophobicContact CG2-CG1 4.39Å; I121-I144 CarbonylContact C-O 3.56Å; I121-I144 WeakPolarHBondContact CA-O 3.35Å; I121-I144 HydrophobicContact CG1-CB 4.42Å; I121-I144 HydrophobicContact CG1-CD1 4.48Å; I121-I144 HydrophobicContact CG2-CG2 4.36Å; I121-T146 HydrophobicContact CG2-CG2 4.26Å; I121-L185 HydrophobicContact CG2-CD2 4.44Å
122T98.2Very high93.6Very high0 Ų033 Ų330%019%0.186CC..EExtended strand (participates in β ladder)trans-82.2139.5173.574.30000109.6Y65 F109 I120 V143 I144 V145 T146Y65-T122 CarbonylContact O-C 3.57Å; Y65-T122 VanDerWaalsContact O-CA 3.24Å; Y65-T122 WeakPolarHBondContact O-CA 3.28Å; F109-T122 HydrophobicContact CZ-CG2 4.2Å; I120-T122 HydrophobicContact CG2-CG2 4.18Å; T122-V143 HydrophobicContact CG2-CG1 3.99Å; T122-I144 PolarHBondContact N-O 3.48Å; T122-V145 WeakPolarHBondContact OG1-CA 3.47Å; T122-T146 WeakPolarHBondContact O-CA 3.45Å; T122-T146 WeakPolarHBondContact O-CB 3.29Å; T122-T146 PolarHBondContact O-N 3.13Å; T122-T146 PolarHBondContact O-OG1 3.16Å
123V98.3Very high93.5Very high0 Ų031.5 Ų31.50%018%0.18CC..EExtended strand (participates in β ladder)trans-128.5125.9176.8-61.70000108.7I64 Y65 G66 T76 M79 I121 N125 T146I64-V123 HydrophobicContact CG2-CG1 4.1Å; I64-V123 HydrophobicContact CG2-CG2 3.8Å; Y65-V123 PolarHBondContact O-N 2.81Å; G66-V123 WeakPolarHBondContact CA-O 3.22Å; T76-V123 WeakPolarHBondContact OG1-CG2 3.42Å; M79-V123 HydrophobicContact CB-CG1 4.47Å; M79-V123 HydrophobicContact CG-CG1 3.72Å; I121-V123 HydrophobicContact CG2-CG1 4.39Å; V123-N125 VanDerWaalsContact C-N 3.27Å; V123-N125 PolarHBondContact O-N 2.89Å; V123-T146 WeakPolarHBondContact CA-O 3.33Å; V123-T146 WeakPolarHBondContact CG1-OG1 3.42Å
124D96.6Very high93.5Very high1 Ų134.4 Ų34.41%0.00520%0.195CC..SBendtrans50.445.8176.6-172.534.1000113.4D67 D71 G72 T146 H148 H149D67-D124 WeakPolarHBondContact CB-O 3.28Å; D71-D124 VanDerWaalsContact CB-OD2 3.25Å; D71-D124 WeakPolarHBondContact CB-OD2 3.4Å; G72-D124 WeakPolarHBondContact CA-OD2 3.39Å; G72-D124 PolarHBondContact N-OD2 2.89Å; D124-T146 PolarHBondContact N-O 3.34Å; D124-T146 VanDerWaalsContact N-O 3.07Å; D124-H148 IonicContact OD1-CD2 3.68Å; D124-H148 PolarHBondContact OD1-CD2 2.82Å; D124-H148 IonicContact OD1-NE2 3.49Å; D124-H148 PolarHBondContact OD1-NE2 2.8Å; D124-H149 IonicContact OD1-CE1 3.08Å; D124-H149 PolarHBondContact OD1-CE1 2.94Å; D124-H149 IonicContact OD1-ND1 2.65Å
125N90.9Very high93.5Very high0 Ų029.9 Ų29.90%017%0.169CC..SBendtrans-122.315.7-170.6-161.8-125.5000113Y65 G66 G103 P104 V123Y65-N125 HydrophobicContact CD1-CB 4.48Å; Y65-N125 VanDerWaalsContact CD1-OD1 3.28Å; Y65-N125 WeakPolarHBondContact CD1-OD1 3.48Å; Y65-N125 WeakPolarHBondContact CE1-OD1 3.42Å; G66-N125 PolarHBondContact O-ND2 3.46Å; G103-N125 WeakPolarHBondContact CA-O 3.47Å; G103-N125 WeakPolarHBondContact CA-OD1 3.42Å; G103-N125 PolarHBondContact O-OD1 3.43Å; P104-N125 WeakPolarHBondContact CD-O 3.43Å; P104-N125 WeakPolarHBondContact CD-OD1 3.29Å; P104-N125 WeakPolarHBondContact CG-OD1 3.45Å; V123-N125 VanDerWaalsContact C-N 3.27Å; V123-N125 PolarHBondContact O-N 2.89Å
126G86.8Confident93.5Very high5 Ų525 Ų255%0.05215%0.146CC..  trans78.6153.6-170.500000112.5Y102 A128 D147Y102-G126 PolarHBondContact OH-N 2.89Å; G126-A128 VanDerWaalsContact C-N 3.32Å; G126-D147 WeakPolarHBondContact CA-OD2 3.43Å; G126-D147 PolarHBondContact N-OD2 2.95Å; G126-D147 VanDerWaalsContact N-OD2 3.17Å
127V82.8Confident93.5Very high3 Ų325.6 Ų25.62%0.01814%0.142CC..SBendtrans-88.7-2.3170.7-169.40000112V145 D147 M151 L155 P156 I161V127-V145 HydrophobicContact CG2-CG1 4.45Å; V127-D147 HydrophobicContact CG2-CB 3.92Å; V127-D147 WeakPolarHBondContact CG2-OD2 3.18Å; V127-D147 PolarHBondContact N-OD2 3.23Å; V127-M151 HydrophobicContact CB-CG 4.05Å; V127-M151 HydrophobicContact CG1-CG 4.04Å; V127-M151 HydrophobicContact CG2-CG 3.83Å; V127-L155 HydrophobicContact CG1-CD2 4.02Å; V127-P156 HydrophobicContact CG1-CG 4.43Å; V127-P156 VanDerWaalsContact O-CD 3.24Å; V127-P156 WeakPolarHBondContact O-CD 3.34Å; V127-P156 VanDerWaalsContact O-CG 3.3Å; V127-P156 WeakPolarHBondContact O-CG 3.23Å; V127-I161 HydrophobicContact CG1-CD1 4.28Å; V127-I161 HydrophobicContact CG1-CG2 4.06Å
128A75.3Confident93.5Very high57 Ų5729 Ų2947%0.47117%0.166SC..  trans-79.6168.6173.700000111.4P104 G126P104-A128 VanDerWaalsContact CD-O 3.26Å; P104-A128 WeakPolarHBondContact CD-O 3.44Å; P104-A128 WeakPolarHBondContact CG-O 3.3Å; G126-A128 VanDerWaalsContact C-N 3.32Å
129G81.3Confident93.5Very high19 Ų1929.5 Ų29.520%0.19617%0.169CC..  trans118.730.8176.200000114.8E131 A132 I133G129-E131 PolarHBondContact O-N 3.32Å; G129-E131 VanDerWaalsContact O-N 3.1Å; G129-A132 PolarHBondContact O-N 3.11Å; G129-I133 PolarHBondContact O-N 3.09Å
130N89.4Confident93.5Very high58 Ų5832.5 Ų32.531%0.3120%0.2SC..Hα-helixtrans-46.6-43.2179-58.251.4000112.1A132 I133 D134N130-A132 PolarHBondContact O-N 2.97Å; N130-I133 PolarHBondContact O-N 3.24Å; N130-D134 WeakPolarHBondContact O-CB 3.34Å; N130-D134 PolarHBondContact O-N 2.95Å
131E93Very high93.5Very high125 Ų12532.9 Ų32.958%0.58420%0.202SC*.Hα-helixtrans-63.7-40.4-179.1-165.3-174.4172.100113.4K106 G129 F135K106-E131 HydrophobicContact CD-CG 4.04Å; K106-E131 WeakPolarHBondContact CD-OE1 3.29Å; K106-E131 IonicContact NZ-OE1 3.3Å; K106-E131 PolarHBondContact NZ-OE1 2.63Å; G129-E131 PolarHBondContact O-N 3.32Å; G129-E131 VanDerWaalsContact O-N 3.1Å; E131-F135 VanDerWaalsContact O-CB 3.26Å; E131-F135 WeakPolarHBondContact O-CB 3.2Å; E131-F135 PolarHBondContact O-N 3.03Å; E131-F135 VanDerWaalsContact O-N 3.08Å
132A95Very high93.5Very high2 Ų235 Ų352%0.01721%0.214CC..Hα-helixtrans-72-41.5179.200000111.1P104 K106 F109 G129 N130 F135 A136P104-A132 HydrophobicContact CB-CB 3.82Å; K106-A132 HydrophobicContact CB-CB 4.25Å; F109-A132 HydrophobicContact CD2-CB 3.9Å; F109-A132 WeakPolarHBondContact CD2-O 3.42Å; F109-A132 HydrophobicContact CE2-CB 4.04Å; F109-A132 HydrophobicContact CG-CB 4.4Å; G129-A132 PolarHBondContact O-N 3.11Å; N130-A132 PolarHBondContact O-N 2.97Å; A132-F135 PolarHBondContact O-N 3.15Å; A132-A136 PolarHBondContact O-N 2.94Å
133I96.5Very high93.5Very high1 Ų135 Ų351%0.00521%0.214CC..Hα-helixtrans-68.4-46.8178.7-65.9169000110.8G129 N130 F135 A136 N137 V143 V145 P156 A158G129-I133 PolarHBondContact O-N 3.09Å; N130-I133 PolarHBondContact O-N 3.24Å; I133-F135 PolarHBondContact O-N 3.48Å; I133-A136 PolarHBondContact O-N 3.2Å; I133-A136 VanDerWaalsContact O-N 3.11Å; I133-N137 VanDerWaalsContact O-CG 3.27Å; I133-N137 PolarHBondContact O-N 3.05Å; I133-V143 HydrophobicContact CG1-CB 4.44Å; I133-V143 HydrophobicContact CG1-CG1 4.21Å; I133-V143 HydrophobicContact CG1-CG2 4.47Å; I133-V143 HydrophobicContact CG2-CB 4.38Å; I133-V143 HydrophobicContact CG2-CG2 4.44Å; I133-V145 HydrophobicContact CD1-CG2 3.99Å; I133-P156 HydrophobicContact CB-CB 4.43Å; I133-P156 HydrophobicContact CD1-CB 3.49Å; I133-P156 VanDerWaalsContact CD1-CB 3.49Å; I133-P156 HydrophobicContact CD1-CG 3.69Å; I133-P156 HydrophobicContact CG2-CB 4.43Å; I133-A158 HydrophobicContact CD1-CB 4.49Å; I133-A158 HydrophobicContact CG2-CB 4.22Å
134D96.9Very high93.5Very high82 Ų8235 Ų3544%0.43921%0.214SC..Hα-helixtrans-58.3-38.5174.8-69.8-15.3000111.1N130 S138N130-D134 WeakPolarHBondContact O-CB 3.34Å; N130-D134 PolarHBondContact O-N 2.95Å; D134-S138 WeakPolarHBondContact O-CB 3.48Å; D134-S138 PolarHBondContact O-N 2.88Å
135F97.6Very high93.6Very high42 Ų4235 Ų3518%0.18421%0.214CC..Hα-helixtrans-64.6-48.8174.5172.9-95.5000111.7K106 A110 I113 E131 A132 I133 N137 S138 Q139K106-F135 HydrophobicContact CG-CB 3.99Å; K106-F135 HydrophobicContact CG-CD1 4.26Å; K106-F135 HydrophobicContact CG-CG 3.99Å; A110-F135 HydrophobicContact CB-CD1 4.43Å; A110-F135 HydrophobicContact CB-CE1 3.47Å; A110-F135 VanDerWaalsContact CB-CE1 3.47Å; A110-F135 HydrophobicContact CB-CZ 3.58Å; I113-F135 HydrophobicContact CD1-CD1 4.49Å; I113-F135 HydrophobicContact CD1-CE1 4.14Å; E131-F135 VanDerWaalsContact O-CB 3.26Å; E131-F135 WeakPolarHBondContact O-CB 3.2Å; E131-F135 PolarHBondContact O-N 3.03Å; E131-F135 VanDerWaalsContact O-N 3.08Å; A132-F135 PolarHBondContact O-N 3.15Å; I133-F135 PolarHBondContact O-N 3.48Å; F135-N137 VanDerWaalsContact C-N 3.33Å; F135-N137 PolarHBondContact O-N 3.39Å; F135-S138 WeakPolarHBondContact O-CB 3.45Å; F135-S138 PolarHBondContact O-N 3.5Å; F135-S138 VanDerWaalsContact O-N 3.09Å; F135-S138 PolarHBondContact O-OG 2.97Å; F135-Q139 HydrophobicContact CE1-CG 3.92Å; F135-Q139 HydrophobicContact CE2-CG 4.04Å; F135-Q139 HydrophobicContact CZ-CG 3.67Å; F135-Q139 WeakPolarHBondContact O-CG 3.49Å; F135-Q139 PolarHBondContact O-N 3.26Å; F135-Q139 VanDerWaalsContact O-N 3.15Å
136A97.9Very high93.9Very high0 Ų035.1 Ų35.10%021%0.214CC..Hα-helixtrans-57.3-46.4176.800000111.6F109 I113 I120 A132 I133 S138 Q139 G140 V141 V143F109-A136 HydrophobicContact CD2-CB 4.11Å; I113-A136 HydrophobicContact CD1-CB 3.96Å; I120-A136 HydrophobicContact CD1-CB 4.46Å; A132-A136 PolarHBondContact O-N 2.94Å; I133-A136 PolarHBondContact O-N 3.2Å; I133-A136 VanDerWaalsContact O-N 3.11Å; A136-S138 VanDerWaalsContact C-N 3.29Å; A136-S138 PolarHBondContact O-N 3.43Å; A136-Q139 CarbonylContact O-C 3.58Å; A136-Q139 WeakPolarHBondContact O-CA 3.26Å; A136-Q139 WeakPolarHBondContact O-CB 3.44Å; A136-Q139 PolarHBondContact O-N 2.94Å; A136-G140 PolarHBondContact O-N 2.92Å; A136-V141 CarbonylContact C-O 3.5Å; A136-V141 HydrophobicContact CB-CB 4.39Å; A136-V141 PolarHBondContact O-N 3.37Å; A136-V143 HydrophobicContact CB-CG2 3.54Å
137N97Very high94.4Very high45 Ų4534.9 Ų34.924%0.24121%0.211CC..Hα-helixtrans-56.8-42.6174.4-68.5-14.1000111.9I133 F135 Q139 G140 V141 D157I133-N137 VanDerWaalsContact O-CG 3.27Å; I133-N137 PolarHBondContact O-N 3.05Å; F135-N137 VanDerWaalsContact C-N 3.33Å; F135-N137 PolarHBondContact O-N 3.39Å; N137-Q139 PolarHBondContact O-N 3.47Å; N137-G140 PolarHBondContact O-N 3.18Å; N137-V141 PolarHBondContact N-O 3.4Å; N137-D157 PolarHBondContact ND2-O 3.06Å
138S97.7Very high95Very high79 Ų7935.6 Ų35.655%0.55222%0.215SC*.Hα-helixtrans-63.7-23.9177.2830000113.6D134 F135 A136D134-S138 WeakPolarHBondContact O-CB 3.48Å; D134-S138 PolarHBondContact O-N 2.88Å; F135-S138 WeakPolarHBondContact O-CB 3.45Å; F135-S138 PolarHBondContact O-N 3.5Å; F135-S138 VanDerWaalsContact O-N 3.09Å; F135-S138 PolarHBondContact O-OG 2.97Å; A136-S138 VanDerWaalsContact C-N 3.29Å; A136-S138 PolarHBondContact O-N 3.43Å
139Q98Very high95.8Very high101 Ų10135.4 Ų35.447%0.47220%0.204SC..THydrogen-bonded Turntrans-91.21174.3-57.9-50.1-66.500112.7I113 F135 A136 N137I113-Q139 HydrophobicContact CD1-CB 4.44Å; I113-Q139 HydrophobicContact CG2-CB 4.01Å; I113-Q139 HydrophobicContact CG2-CG 4.33Å; F135-Q139 HydrophobicContact CE1-CG 3.92Å; F135-Q139 HydrophobicContact CE2-CG 4.04Å; F135-Q139 HydrophobicContact CZ-CG 3.67Å; F135-Q139 WeakPolarHBondContact O-CG 3.49Å; F135-Q139 PolarHBondContact O-N 3.26Å; F135-Q139 VanDerWaalsContact O-N 3.15Å; A136-Q139 CarbonylContact O-C 3.58Å; A136-Q139 WeakPolarHBondContact O-CA 3.26Å; A136-Q139 WeakPolarHBondContact O-CB 3.44Å; A136-Q139 PolarHBondContact O-N 2.94Å; N137-Q139 PolarHBondContact O-N 3.47Å
140G97.4Very high96.1Very high63 Ų6340 Ų4065%0.64922%0.22SC*.THydrogen-bonded Turntrans73.326.9-177.200000113.6A136 N137A136-G140 PolarHBondContact O-N 2.92Å; N137-G140 PolarHBondContact O-N 3.18Å
141V98.2Very high96Very high7 Ų738.7 Ų38.74%0.04221%0.213CC..  trans-110.2117.71771750000108.5I113 I120 A136 N137I113-V141 HydrophobicContact CD1-CB 4.05Å; I113-V141 HydrophobicContact CD1-CG1 4.25Å; I113-V141 HydrophobicContact CD1-CG2 4.12Å; I113-V141 HydrophobicContact CG1-CB 4.3Å; I113-V141 HydrophobicContact CG1-CG1 4.24Å; I113-V141 HydrophobicContact CG1-CG2 4Å; I113-V141 HydrophobicContact CG2-CG2 3.97Å; I120-V141 HydrophobicContact CD1-CG1 4.02Å; I120-V141 HydrophobicContact CG1-CG1 3.96Å; A136-V141 CarbonylContact C-O 3.5Å; A136-V141 HydrophobicContact CB-CB 4.39Å; A136-V141 PolarHBondContact O-N 3.37Å; N137-V141 PolarHBondContact N-O 3.4Å
142D98.3Very high95.6Very high46 Ų4634.5 Ų34.525%0.24620%0.196CC..EExtended strand (participates in β ladder)trans-72.8144.5177.2-64.3-45000110.6R51 L119 I120 Y159R51-D142 IonicContact CZ-OD2 3.79Å; R51-D142 VanDerWaalsContact CZ-OD2 3.27Å; R51-D142 IonicContact NE-OD2 2.6Å; R51-D142 PolarHBondContact NE-OD2 2.9Å; R51-D142 IonicContact NH2-OD2 3.26Å; R51-D142 PolarHBondContact NH2-OD2 3.29Å; L119-D142 HydrophobicContact CD1-CB 3.95Å; I120-D142 PolarHBondContact N-O 2.82Å; D142-Y159 HydrophobicContact CB-CD2 4.13Å; D142-Y159 HydrophobicContact CB-CG 4.19Å
143V98.4Very high95Very high0 Ų041.2 Ų41.20%024%0.24CC..EExtended strand (participates in β ladder)trans-117.9123.7173.1-172.60000109.4F109 I120 T122 I133 A136 V145 Y159F109-V143 HydrophobicContact CE2-CG2 4.12Å; I120-V143 HydrophobicContact CB-CG1 4.38Å; I120-V143 HydrophobicContact CB-CG2 4.29Å; I120-V143 HydrophobicContact CD1-CG2 4.46Å; I120-V143 HydrophobicContact CG2-CG1 4.29Å; I120-V143 CarbonylContact O-C 3.19Å; I120-V143 WeakPolarHBondContact O-CA 3.47Å; T122-V143 HydrophobicContact CG2-CG1 3.99Å; I133-V143 HydrophobicContact CG1-CB 4.44Å; I133-V143 HydrophobicContact CG1-CG1 4.21Å; I133-V143 HydrophobicContact CG1-CG2 4.47Å; I133-V143 HydrophobicContact CG2-CB 4.38Å; I133-V143 HydrophobicContact CG2-CG2 4.44Å; A136-V143 HydrophobicContact CB-CG2 3.54Å; V143-V145 HydrophobicContact CG1-CG2 4.29Å; V143-Y159 WeakPolarHBondContact O-CB 3.29Å; V143-Y159 PolarHBondContact O-N 2.86Å
144I98.4Very high94.7Very high0 Ų046.3 Ų46.30%027%0.27CS..EExtended strand (participates in β ladder)trans-98.7119.7169.8-63.8177.8000107A48 R51 I52 L119 I120 I121 T122 T146A48-I144 HydrophobicContact CB-CD1 4.49Å; A48-I144 HydrophobicContact CB-CG2 4.05Å; R51-I144 HydrophobicContact CB-CD1 4.09Å; R51-I144 HydrophobicContact CG-CD1 3.96Å; I52-I144 HydrophobicContact CD1-CD1 3.99Å; I52-I144 HydrophobicContact CG1-CD1 3.57Å; L119-I144 HydrophobicContact CD1-CD1 4.02Å; L119-I144 HydrophobicContact CD1-CG1 4.1Å; L119-I144 HydrophobicContact CD2-CD1 4.37Å; I120-I144 PolarHBondContact O-N 3.25Å; I121-I144 CarbonylContact C-O 3.56Å; I121-I144 WeakPolarHBondContact CA-O 3.35Å; I121-I144 HydrophobicContact CG1-CB 4.42Å; I121-I144 HydrophobicContact CG1-CD1 4.48Å; I121-I144 HydrophobicContact CG2-CG2 4.36Å; T122-I144 PolarHBondContact N-O 3.48Å; I144-T146 HydrophobicContact CG2-CG2 4.02Å
145V98.1Very high94.4Very high1 Ų145 Ų451%0.00626%0.263CS..EExtended strand (participates in β ladder)trans-95.6122.5177.1176.50000109.2T122 V127 I133 V143 D147 A158 C160 I161 V162T122-V145 WeakPolarHBondContact OG1-CA 3.47Å; V127-V145 HydrophobicContact CG2-CG1 4.45Å; I133-V145 HydrophobicContact CD1-CG2 3.99Å; V143-V145 HydrophobicContact CG1-CG2 4.29Å; V145-D147 HydrophobicContact CG1-CB 4.35Å; V145-A158 HydrophobicContact CG2-CB 3.75Å; V145-C160 PolarHBondContact N-O 3.43Å; V145-I161 HydrophobicContact CB-CG1 4.28Å; V145-I161 HydrophobicContact CB-CG2 4.42Å; V145-I161 HydrophobicContact CG1-CG2 4.32Å; V145-V162 PolarHBondContact O-N 3.37Å
146T98.2Very high94.2Very high1 Ų143.3 Ų43.31%0.00626%0.257CS..EExtended strand (participates in β ladder)trans-122.3117.217075.60000109.2I121 T122 V123 D124 I144 V162 L185I121-T146 HydrophobicContact CG2-CG2 4.26Å; T122-T146 WeakPolarHBondContact O-CA 3.45Å; T122-T146 WeakPolarHBondContact O-CB 3.29Å; T122-T146 PolarHBondContact O-N 3.13Å; T122-T146 PolarHBondContact O-OG1 3.16Å; V123-T146 WeakPolarHBondContact CA-O 3.33Å; V123-T146 WeakPolarHBondContact CG1-OG1 3.42Å; D124-T146 PolarHBondContact N-O 3.34Å; D124-T146 VanDerWaalsContact N-O 3.07Å; I144-T146 HydrophobicContact CG2-CG2 4.02Å; T146-V162 WeakPolarHBondContact CA-O 3.32Å; T146-V162 HydrophobicContact CG2-CB 4.16Å; T146-L185 HydrophobicContact CG2-CD2 3.84Å
147D96.8Very high94Very high0 Ų049 Ų490%029%0.287CS..  trans-161.3173.3-171.4-169.229.4000111.3G126 V127 V145 H149 V162 H163 P164G126-D147 WeakPolarHBondContact CA-OD2 3.43Å; G126-D147 PolarHBondContact N-OD2 2.95Å; G126-D147 VanDerWaalsContact N-OD2 3.17Å; V127-D147 HydrophobicContact CG2-CB 3.92Å; V127-D147 WeakPolarHBondContact CG2-OD2 3.18Å; V127-D147 PolarHBondContact N-OD2 3.23Å; V145-D147 HydrophobicContact CG1-CB 4.35Å; D147-H149 IonicContact OD1-CE1 2.97Å; D147-H149 IonicContact OD1-CG 3.75Å; D147-H149 IonicContact OD1-ND1 2.71Å; D147-H149 PolarHBondContact OD1-ND1 3.49Å; D147-H149 WeakPolarHBondContact OD2-CB 3.46Å; D147-H149 IonicContact OD2-CG 3.98Å; D147-H149 PolarHBondContact OD2-N 3.09Å; D147-H149 IonicContact OD2-ND1 3Å; D147-H149 PolarHBondContact OD2-ND1 3.23Å; D147-V162 PolarHBondContact N-O 2.95Å; D147-H163 PolarHBondContact O-CD2 2.94Å; D147-P164 VanDerWaalsContact O-CD 3.29Å; D147-P164 WeakPolarHBondContact O-CD 3.31Å
148H96.4Very high94Very high19 Ų1947.6 Ų47.69%0.08828%0.281CS..  trans-135.5-3.9-179.775.9119000114.9D71 D124 H163 P164 L176 G178 V181 D208D71-H148 IonicContact OD2-NE2 2.61Å; D124-H148 IonicContact OD1-CD2 3.68Å; D124-H148 PolarHBondContact OD1-CD2 2.82Å; D124-H148 IonicContact OD1-NE2 3.49Å; D124-H148 PolarHBondContact OD1-NE2 2.8Å; H148-H163 VanDerWaalsContact C-CE1 3.45Å; H148-H163 WeakPolarHBondContact CA-NE2 3.37Å; H148-H163 PolarHBondContact N-NE2 2.98Å; H148-H163 PolarHBondContact O-CE1 3.31Å; H148-H163 PolarHBondContact O-NE2 3.12Å; H148-P164 HydrophobicContact CB-CG 4.17Å; H148-L176 WeakPolarHBondContact CB-O 3.31Å; H148-L176 PolarHBondContact ND1-O 3.01Å; H148-G178 PolarHBondContact CD2-N 3.15Å; H148-V181 HydrophobicContact CB-CG2 4.19Å; H148-D208 IonicContact CE1-OD2 3.71Å; H148-D208 PolarHBondContact CE1-OD2 3.48Å; H148-D208 VanDerWaalsContact CE1-OD2 3.23Å; H148-D208 IonicContact NE2-OD2 3.27Å
149H92.3Very high94Very high52 Ų5247 Ų4724%0.24127%0.268CS..SBendtrans-68.9169.2-178.5-69.491.6000114.4Y102 D124 D147 M151 H163Y102-H149 PolarHBondContact OH-CE1 3.43Å; Y102-H149 VanDerWaalsContact OH-CE1 3.28Å; Y102-H149 PolarHBondContact OH-ND1 3.49Å; Y102-H149 PolarHBondContact OH-NE2 3.34Å; D124-H149 IonicContact OD1-CE1 3.08Å; D124-H149 PolarHBondContact OD1-CE1 2.94Å; D124-H149 IonicContact OD1-ND1 2.65Å; D147-H149 IonicContact OD1-CE1 2.97Å; D147-H149 IonicContact OD1-CG 3.75Å; D147-H149 IonicContact OD1-ND1 2.71Å; D147-H149 PolarHBondContact OD1-ND1 3.49Å; D147-H149 WeakPolarHBondContact OD2-CB 3.46Å; D147-H149 IonicContact OD2-CG 3.98Å; D147-H149 PolarHBondContact OD2-N 3.09Å; D147-H149 IonicContact OD2-ND1 3Å; D147-H149 PolarHBondContact OD2-ND1 3.23Å; H149-M151 PolarHBondContact O-N 2.78Å; H149-H163 PolarHBondContact N-NE2 3.22Å; H149-H163 PolarHBondContact O-CE1 3.09Å; H149-H163 PolarHBondContact O-NE2 2.79Å
150E87.6Confident93.9Very high116 Ų11642.3 Ų42.354%0.54225%0.246SC..PPolyproline II helixtrans-62.5130.1175.2-166.665.5-151.400111.5R165E150-R165 IonicContact OE1-NH2 2.73Å; E150-R165 IonicContact OE2-CZ 3.09Å; E150-R165 IonicContact OE2-NH1 3.36Å; E150-R165 IonicContact OE2-NH2 3.95Å; E150-R165 PolarHBondContact OE2-NH2 3.25Å
151M86.6Confident93.9Very high31 Ų3139.8 Ų39.815%0.15322%0.217CC..PPolyproline II helixtrans-83.8143.8-175.4-73.9174.5-7700113V127 H149 L155 H163 R165 P167V127-M151 HydrophobicContact CB-CG 4.05Å; V127-M151 HydrophobicContact CG1-CG 4.04Å; V127-M151 HydrophobicContact CG2-CG 3.83Å; H149-M151 PolarHBondContact O-N 2.78Å; M151-L155 HydrophobicContact CB-CD2 3.92Å; M151-L155 HydrophobicContact CG-CD2 4.12Å; M151-L155 HydrophobicContact SD-CD2 3.99Å; M151-H163 HydrophobicContact SD-CB 4.49Å; M151-R165 HydrophobicContact CE-CB 4.24Å; M151-R165 WeakPolarHBondContact CE-O 3.48Å; M151-P167 HydrophobicContact CE-CG 4.22Å; M151-P167 HydrophobicContact SD-CG 4.5Å
152P84Confident93.9Very high37 Ų3739.4 Ų39.424%0.2422%0.215CC..PPolyproline II helixtrans-68.1154.8173.129.5-34.6000111.5V154P152-V154 WeakPolarHBondContact CG-O 3.4Å; P152-V154 PolarHBondContact O-N 2.95Å; P152-V154 VanDerWaalsContact O-N 3.13Å
153P83.7Confident93.9Very high143 Ų14337.3 Ų37.393%0.92920%0.204SC*.SBendtrans-59.4-25.9176.3-24.933.8000114.4
154V88.2Confident93.9Very high107 Ų10737.6 Ų37.665%0.64821%0.206SC*.SBendtrans-117.1109.1173.3-178.70000107.2P152P152-V154 WeakPolarHBondContact CG-O 3.4Å; P152-V154 PolarHBondContact O-N 2.95Å; P152-V154 VanDerWaalsContact O-N 3.13Å
155L91.9Very high93.8Very high55 Ų5542.8 Ų42.829%0.28823%0.225SC..  trans-68147.9176.4-61.7178.7000110.7V127 M151 I161V127-L155 HydrophobicContact CG1-CD2 4.02Å; M151-L155 HydrophobicContact CB-CD2 3.92Å; M151-L155 HydrophobicContact CG-CD2 4.12Å; M151-L155 HydrophobicContact SD-CD2 3.99Å; L155-I161 HydrophobicContact CB-CD1 3.92Å; L155-I161 HydrophobicContact CD1-CD1 4.25Å; L155-I161 HydrophobicContact CD2-CD1 4.47Å; L155-I161 HydrophobicContact CG-CD1 4.44Å
156P92.3Very high93.7Very high7 Ų743.3 Ų43.35%0.04523%0.228CC..  trans-67.3156174.230.8-36.7000111.2V127 I133 A158 I161V127-P156 HydrophobicContact CG1-CG 4.43Å; V127-P156 VanDerWaalsContact O-CD 3.24Å; V127-P156 WeakPolarHBondContact O-CD 3.34Å; V127-P156 VanDerWaalsContact O-CG 3.3Å; V127-P156 WeakPolarHBondContact O-CG 3.23Å; I133-P156 HydrophobicContact CB-CB 4.43Å; I133-P156 HydrophobicContact CD1-CB 3.49Å; I133-P156 VanDerWaalsContact CD1-CB 3.49Å; I133-P156 HydrophobicContact CD1-CG 3.69Å; I133-P156 HydrophobicContact CG2-CB 4.43Å; P156-A158 PolarHBondContact O-N 3.24Å; P156-I161 HydrophobicContact CG-CD1 4.08Å
157D94.3Very high93.5Very high119 Ų11947.6 Ų47.664%0.63626%0.256SS*.  trans-77.749.8175.7-166.231.7000111.2N137N137-D157 PolarHBondContact ND2-O 3.06Å
158A96.7Very high93.4Very high15 Ų1553 Ų5312%0.12428%0.284CS..  trans-68.9156175.500000110.5I133 V145 P156 C160 I161I133-A158 HydrophobicContact CD1-CB 4.49Å; I133-A158 HydrophobicContact CG2-CB 4.22Å; V145-A158 HydrophobicContact CG2-CB 3.75Å; P156-A158 PolarHBondContact O-N 3.24Å; A158-C160 PolarHBondContact O-N 2.88Å; A158-I161 HydrophobicContact CB-CG1 3.97Å
159Y97.5Very high93.4Very high67 Ų6753 Ų5326%0.26329%0.29SS..SBendtrans-56.7-42.4173.8-178.9-87.6000110.3K47 R51 D142 V143K47-Y159 HydrophobicContact CD-CE1 4.33Å; K47-Y159 WeakPolarHBondContact CE-O 3.38Å; K47-Y159 HydrophobicContact CG-CD1 4.26Å; K47-Y159 HydrophobicContact CG-CE1 3.62Å; K47-Y159 PolarHBondContact NZ-O 3.32Å; R51-Y159 HydrophobicContact CB-CD1 3.99Å; R51-Y159 HydrophobicContact CB-CE1 3.4Å; R51-Y159 VanDerWaalsContact CB-CE1 3.4Å; R51-Y159 HydrophobicContact CG-CD1 3.88Å; R51-Y159 HydrophobicContact CG-CE1 3.66Å; R51-Y159 HydrophobicContact CG-CE2 4.45Å; R51-Y159 HydrophobicContact CG-CG 4.39Å; D142-Y159 HydrophobicContact CB-CD2 4.13Å; D142-Y159 HydrophobicContact CB-CG 4.19Å; V143-Y159 WeakPolarHBondContact O-CB 3.29Å; V143-Y159 PolarHBondContact O-N 2.86Å
160C96.9Very high93.5Very high2 Ų258.5 Ų58.51%0.01432%0.315CS..EExtended strand (participates in β ladder)trans-156.8157.1170.764.80000111.3D44 K47 V145 A158D44-C160 HydrophobicContact CB-CB 3.86Å; D44-C160 VanDerWaalsContact OD2-CA 3.24Å; D44-C160 WeakPolarHBondContact OD2-CA 3.34Å; D44-C160 VanDerWaalsContact OD2-CB 3.26Å; D44-C160 WeakPolarHBondContact OD2-CB 3.31Å; K47-C160 HydrophobicContact CB-CB 4.3Å; K47-C160 HydrophobicContact CD-CB 3.79Å; K47-C160 HydrophobicContact CG-CB 3.97Å; V145-C160 PolarHBondContact N-O 3.43Å; A158-C160 PolarHBondContact O-N 2.88Å
161I97.6Very high94Very high10 Ų1053.8 Ų53.85%0.05129%0.293CS..EExtended strand (participates in β ladder)trans-125.9102.8179.8-56.1176.4000109.2D44 V127 V145 L155 P156 A158 H163D44-I161 PolarHBondContact OD2-N 3.31Å; V127-I161 HydrophobicContact CG1-CD1 4.28Å; V127-I161 HydrophobicContact CG1-CG2 4.06Å; V145-I161 HydrophobicContact CB-CG1 4.28Å; V145-I161 HydrophobicContact CB-CG2 4.42Å; V145-I161 HydrophobicContact CG1-CG2 4.32Å; L155-I161 HydrophobicContact CB-CD1 3.92Å; L155-I161 HydrophobicContact CD1-CD1 4.25Å; L155-I161 HydrophobicContact CD2-CD1 4.47Å; L155-I161 HydrophobicContact CG-CD1 4.44Å; P156-I161 HydrophobicContact CG-CD1 4.08Å; A158-I161 HydrophobicContact CB-CG1 3.97Å; I161-H163 HydrophobicContact CG2-CB 4.26Å
162V98.4Very high94.5Very high0 Ų055.9 Ų55.90%031%0.308CS..EExtended strand (participates in β ladder)trans-90.5108.3176.6179.90000108.6M42 D44 M45 A48 V145 T146 D147 V181M42-V162 HydrophobicContact CG-CG1 4.1Å; M42-V162 HydrophobicContact SD-CG1 3.45Å; M42-V162 WeakPolarHBondContact SD-CG1 3.49Å; D44-V162 HydrophobicContact CB-CG2 4.45Å; M45-V162 HydrophobicContact CE-CG1 3.62Å; M45-V162 HydrophobicContact SD-CG1 4.35Å; A48-V162 HydrophobicContact CB-CG2 3.67Å; V145-V162 PolarHBondContact O-N 3.37Å; T146-V162 WeakPolarHBondContact CA-O 3.32Å; T146-V162 HydrophobicContact CG2-CB 4.16Å; D147-V162 PolarHBondContact N-O 2.95Å; V162-V181 HydrophobicContact CG1-CG1 4.06Å
163H98.1Very high95.1Very high2 Ų255 Ų551%0.00930%0.301CS..  trans-148.8132.1-173.3-163.8-77000111.3D147 H148 H149 M151 I161 R165 H166D147-H163 PolarHBondContact O-CD2 2.94Å; H148-H163 VanDerWaalsContact C-CE1 3.45Å; H148-H163 WeakPolarHBondContact CA-NE2 3.37Å; H148-H163 PolarHBondContact N-NE2 2.98Å; H148-H163 PolarHBondContact O-CE1 3.31Å; H148-H163 PolarHBondContact O-NE2 3.12Å; H149-H163 PolarHBondContact N-NE2 3.22Å; H149-H163 PolarHBondContact O-CE1 3.09Å; H149-H163 PolarHBondContact O-NE2 2.79Å; M151-H163 HydrophobicContact SD-CB 4.49Å; I161-H163 HydrophobicContact CG2-CB 4.26Å; H163-R165 PolarHBondContact ND1-N 3.37Å; H163-R165 PolarHBondContact O-N 3.05Å; H163-H166 HydrophobicContact CB-CB 4.23Å; H163-H166 WeakPolarHBondContact O-CB 3.38Å; H163-H166 PolarHBondContact O-N 3.3Å; H163-H166 VanDerWaalsContact O-N 3.16Å
164P97.8Very high95.7Very high6 Ų649.3 Ų49.34%0.03927%0.268CS..THydrogen-bonded Turntrans-64.7-25.8-176.627.1-35.7000112.7M42 D147 H148 Y171 L176 V181M42-P164 HydrophobicContact CE-CB 4.32Å; D147-P164 VanDerWaalsContact O-CD 3.29Å; D147-P164 WeakPolarHBondContact O-CD 3.31Å; H148-P164 HydrophobicContact CB-CG 4.17Å; P164-Y171 HydrophobicContact CB-CD1 3.93Å; P164-L176 HydrophobicContact CB-CD1 4.5Å; P164-L176 HydrophobicContact CG-CB 4.34Å; P164-V181 HydrophobicContact CG-CG2 4.21Å
165R96.5Very high96.2Very high108 Ų10848 Ų4841%0.40825%0.254SS..THydrogen-bonded Turntrans-10414.7177.6-62.9174.459.2-168.4-16.5115E150 M151 H163 G174E150-R165 IonicContact OE1-NH2 2.73Å; E150-R165 IonicContact OE2-CZ 3.09Å; E150-R165 IonicContact OE2-NH1 3.36Å; E150-R165 IonicContact OE2-NH2 3.95Å; E150-R165 PolarHBondContact OE2-NH2 3.25Å; M151-R165 HydrophobicContact CE-CB 4.24Å; M151-R165 WeakPolarHBondContact CE-O 3.48Å; H163-R165 PolarHBondContact ND1-N 3.37Å; H163-R165 PolarHBondContact O-N 3.05Å; R165-G174 WeakPolarHBondContact CD-O 3.47Å; R165-G174 VanDerWaalsContact CG-O 3.23Å; R165-G174 WeakPolarHBondContact CG-O 3.2Å
166H96.4Very high96.5Very high13 Ų1345.3 Ų45.36%0.0624%0.241CC..  trans-49.5136.7-177.6-168.9-86.8000111.6H43 H163 D168 G169H43-H166 HydrophobicContact CB-CB 3.72Å; H43-H166 AromaticContact CD2-CD2 3.82Å; H43-H166 AromaticContact CD2-CE1 3.22Å; H43-H166 PolarHBondContact CD2-CE1 2.77Å; H43-H166 AromaticContact CD2-CG 3.59Å; H43-H166 AromaticContact CD2-ND1 3.19Å; H43-H166 PolarHBondContact CD2-ND1 3.09Å; H43-H166 AromaticContact CD2-NE2 3.63Å; H43-H166 AromaticContact CG-CE1 3.91Å; H43-H166 AromaticContact CG-CG 3.78Å; H43-H166 AromaticContact CG-ND1 3.4Å; H43-H166 AromaticContact ND1-ND1 3.95Å; H43-H166 AromaticContact NE2-CE1 3.35Å; H43-H166 PolarHBondContact NE2-CE1 2.89Å; H43-H166 VanDerWaalsContact NE2-CE1 3.35Å; H43-H166 AromaticContact NE2-ND1 3.63Å; H163-H166 HydrophobicContact CB-CB 4.23Å; H163-H166 WeakPolarHBondContact O-CB 3.38Å; H163-H166 PolarHBondContact O-N 3.3Å; H163-H166 VanDerWaalsContact O-N 3.16Å; H166-D168 VanDerWaalsContact C-N 3.26Å; H166-D168 IonicContact CE1-OD2 3.06Å; H166-D168 PolarHBondContact ND1-N 2.92Å; H166-D168 PolarHBondContact O-N 2.9Å; H166-G169 WeakPolarHBondContact O-CA 3.49Å; H166-G169 PolarHBondContact O-N 3.49Å
167P93.8Very high96.8Very high91 Ų9145 Ų4559%0.59124%0.239SC*.THydrogen-bonded Turntrans-63.3-30.4-171.7-23.536.5000114.1M151M151-P167 HydrophobicContact CE-CG 4.22Å; M151-P167 HydrophobicContact SD-CG 4.5Å
168D95.4Very high97Very high112 Ų11239.3 Ų39.360%0.59921%0.208SC*.THydrogen-bonded Turntrans-92.8-0.1174.2-60-47.7000113H166 H170H166-D168 VanDerWaalsContact C-N 3.26Å; H166-D168 IonicContact CE1-OD2 3.06Å; H166-D168 PolarHBondContact ND1-N 2.92Å; H166-D168 PolarHBondContact O-N 2.9Å; D168-H170 PolarHBondContact O-ND1 3.4Å
169G94.5Very high97.1Very high20 Ų2038.6 Ų38.621%0.20620%0.202CC..  trans-88.6158.8179.700000113.2H166H166-G169 WeakPolarHBondContact O-CA 3.49Å; H166-G169 PolarHBondContact O-N 3.49Å
170H94.8Very high97.1Very high168 Ų16835.4 Ų35.478%0.77819%0.19SC*.  trans-134.430179.5-56.675.1000111.1D168D168-H170 PolarHBondContact O-ND1 3.4Å
171Y98.1Very high97.2Very high16 Ų1635.3 Ų35.36%0.06319%0.189CC..  trans-61.2133.1-179.1-168.7-107.3000109.8H37 L41 M42 P164 F173 L176 K184 E215H37-Y171 HydrophobicContact CB-CE2 3.99Å; L41-Y171 HydrophobicContact CB-CD2 3.87Å; L41-Y171 HydrophobicContact CB-CE2 4.39Å; M42-Y171 HydrophobicContact CB-CD2 3.87Å; M42-Y171 HydrophobicContact CB-CE2 4.35Å; M42-Y171 HydrophobicContact CB-CG 4.37Å; M42-Y171 HydrophobicContact CE-CD1 4.2Å; M42-Y171 HydrophobicContact CE-CD2 4.24Å; M42-Y171 HydrophobicContact CE-CE1 4.02Å; M42-Y171 HydrophobicContact CE-CE2 4.02Å; M42-Y171 HydrophobicContact CE-CG 4.32Å; M42-Y171 HydrophobicContact CG-CD2 4.33Å; M42-Y171 HydrophobicContact CG-CG 4.36Å; P164-Y171 HydrophobicContact CB-CD1 3.93Å; Y171-F173 WeakPolarHBondContact CD1-O 3.49Å; Y171-F173 HydrophobicContact CE1-CB 4.26Å; Y171-F173 WeakPolarHBondContact CE1-O 3.43Å; Y171-F173 PolarHBondContact O-N 2.89Å; Y171-F173 VanDerWaalsContact O-N 3.16Å; Y171-L176 HydrophobicContact CE1-CD1 3.67Å; Y171-L176 HydrophobicContact CE1-CG 4.28Å; Y171-K184 WeakPolarHBondContact OH-CE 3.28Å; Y171-E215 WeakPolarHBondContact CE1-OE2 3.42Å; Y171-E215 PolarHBondContact OH-OE1 3.01Å; Y171-E215 PolarHBondContact OH-OE2 3.42Å
172P97.1Very high97.3Very high75 Ų7534.9 Ų34.949%0.48719%0.187SC..SBendtrans-67.7-17.6-169-23.634.5000115.7L41L41-P172 HydrophobicContact CD1-CG 4.03Å
173F97.3Very high97.3Very high20 Ų2034.9 Ų34.99%0.08819%0.187CC..  trans-135.2103.1-175.3-176.3-106.2000111.9Y171 E175 L176 T213 E215 N216Y171-F173 WeakPolarHBondContact CD1-O 3.49Å; Y171-F173 HydrophobicContact CE1-CB 4.26Å; Y171-F173 WeakPolarHBondContact CE1-O 3.43Å; Y171-F173 PolarHBondContact O-N 2.89Å; Y171-F173 VanDerWaalsContact O-N 3.16Å; F173-E175 VanDerWaalsContact C-N 3.32Å; F173-E175 HydrophobicContact CE1-CB 3.93Å; F173-E175 HydrophobicContact CE2-CB 4.13Å; F173-E175 HydrophobicContact CE2-CG 4.5Å; F173-E175 HydrophobicContact CZ-CB 3.65Å; F173-E175 HydrophobicContact CZ-CG 4.47Å; F173-E175 PolarHBondContact O-N 3.42Å; F173-L176 HydrophobicContact CD1-CD2 3.83Å; F173-L176 HydrophobicContact CD1-CG 3.98Å; F173-L176 HydrophobicContact CE1-CD2 4.05Å; F173-L176 HydrophobicContact CE1-CG 4.41Å; F173-T213 WeakPolarHBondContact CZ-O 3.34Å; F173-E215 HydrophobicContact CB-CB 4.22Å; F173-E215 HydrophobicContact CD1-CB 3.57Å; F173-E215 HydrophobicContact CE1-CB 4.06Å; F173-E215 HydrophobicContact CG-CB 3.91Å; F173-N216 HydrophobicContact CE1-CB 4.09Å; F173-N216 HydrophobicContact CZ-CB 4.18Å
174G97Very high97.3Very high22 Ų2234.9 Ų34.923%0.22719%0.187CC..THydrogen-bonded Turntrans-75.7-10.7-173.200000116.1R165R165-G174 WeakPolarHBondContact CD-O 3.47Å; R165-G174 VanDerWaalsContact CG-O 3.23Å; R165-G174 WeakPolarHBondContact CG-O 3.2Å
175E97.3Very high97.4Very high79 Ų7934.6 Ų34.637%0.36919%0.185SC..THydrogen-bonded Turntrans-102.317.2-165.3-55.8-61.4139.800113.7F173 V210 N216F173-E175 VanDerWaalsContact C-N 3.32Å; F173-E175 HydrophobicContact CE1-CB 3.93Å; F173-E175 HydrophobicContact CE2-CB 4.13Å; F173-E175 HydrophobicContact CE2-CG 4.5Å; F173-E175 HydrophobicContact CZ-CB 3.65Å; F173-E175 HydrophobicContact CZ-CG 4.47Å; F173-E175 PolarHBondContact O-N 3.42Å; E175-V210 WeakPolarHBondContact O-CB 3.31Å; E175-N216 PolarHBondContact O-ND2 3.19Å
176L98.5Very high97.5Very high0 Ų029.4 Ų29.40%017%0.166CC..  trans-56.1144.6175.1-69.7179.1000110.8M42 H148 P164 Y171 F173 V181 K184 E215 N216 L219M42-L176 HydrophobicContact CE-CD1 3.72Å; H148-L176 WeakPolarHBondContact CB-O 3.31Å; H148-L176 PolarHBondContact ND1-O 3.01Å; P164-L176 HydrophobicContact CB-CD1 4.5Å; P164-L176 HydrophobicContact CG-CB 4.34Å; Y171-L176 HydrophobicContact CE1-CD1 3.67Å; Y171-L176 HydrophobicContact CE1-CG 4.28Å; F173-L176 HydrophobicContact CD1-CD2 3.83Å; F173-L176 HydrophobicContact CD1-CG 3.98Å; F173-L176 HydrophobicContact CE1-CD2 4.05Å; F173-L176 HydrophobicContact CE1-CG 4.41Å; L176-V181 HydrophobicContact CB-CG2 4.23Å; L176-V181 HydrophobicContact CD1-CG2 4.49Å; L176-K184 HydrophobicContact CD1-CG 4.22Å; L176-E215 HydrophobicContact CD2-CB 4.28Å; L176-E215 HydrophobicContact CD2-CG 4.16Å; L176-N216 WeakPolarHBondContact CD2-OD1 3.41Å; L176-L219 HydrophobicContact CD2-CD1 4.24Å
177A98.1Very high97.6Very high0 Ų029.5 Ų29.50%017%0.167CC..  trans-71.6165.7162.600000110.7D71 A179 G180 V181 D208 V210D71-A177 WeakPolarHBondContact OD2-CB 3.26Å; A177-A179 PolarHBondContact O-N 3.08Å; A177-G180 WeakPolarHBondContact O-CA 3.47Å; A177-G180 PolarHBondContact O-N 3Å; A177-V181 PolarHBondContact O-N 2.89Å; A177-D208 HydrophobicContact CB-CB 4.48Å; A177-V210 HydrophobicContact CB-CG1 4.07Å; A177-V210 HydrophobicContact CB-CG2 3.91Å
178G98.5Very high97.8Very high0 Ų025.3 Ų25.30%014%0.14CC..Hα-helixtrans-52.8-41.8171.400000112.2D71 S75 H148 G180 V181 A182D71-G178 WeakPolarHBondContact OD2-CA 3.18Å; D71-G178 PolarHBondContact OD2-N 2.97Å; S75-G178 PolarHBondContact OG-O 2.89Å; H148-G178 PolarHBondContact CD2-N 3.15Å; G178-G180 PolarHBondContact O-N 2.8Å; G178-V181 PolarHBondContact O-N 3.29Å; G178-V181 VanDerWaalsContact O-N 3.09Å; G178-A182 PolarHBondContact O-N 2.8Å
179A98.8Very high97.9Very high0 Ų020.6 Ų20.60%012%0.115CC..Hα-helixtrans-65.4-29.9176.300000112.1D71 S75 I78 A177 F183 V201D71-A179 WeakPolarHBondContact OD1-CB 3.26Å; D71-A179 PolarHBondContact OD1-N 2.87Å; S75-A179 WeakPolarHBondContact OG-CA 3.45Å; S75-A179 PolarHBondContact OG-N 2.65Å; I78-A179 HydrophobicContact CD1-CB 4Å; I78-A179 WeakPolarHBondContact CD1-O 3.38Å; A177-A179 PolarHBondContact O-N 3.08Å; A179-F183 WeakPolarHBondContact O-CB 3.48Å; A179-F183 PolarHBondContact O-N 2.81Å; A179-V201 HydrophobicContact CB-CG2 4.41Å
180G98.7Very high98.1Very high0 Ų021.6 Ų21.60%012%0.115CC..Hα-helixtrans-66.8-42.2172.600000111.9A177 G178 F183 K184A177-G180 WeakPolarHBondContact O-CA 3.47Å; A177-G180 PolarHBondContact O-N 3Å; G178-G180 PolarHBondContact O-N 2.8Å; G180-F183 PolarHBondContact O-N 2.67Å; G180-K184 VanDerWaalsContact O-CG 3.29Å; G180-K184 WeakPolarHBondContact O-CG 3.44Å; G180-K184 PolarHBondContact O-N 3.09Å
181V98.8Very high98.2Very high0 Ų021.5 Ų21.50%012%0.115CC..Hα-helixtrans-66-45.6175.6-177.10000110.9M42 H148 V162 P164 L176 A177 G178 F183 K184 L185M42-V181 HydrophobicContact SD-CG1 4.01Å; H148-V181 HydrophobicContact CB-CG2 4.19Å; V162-V181 HydrophobicContact CG1-CG1 4.06Å; P164-V181 HydrophobicContact CG-CG2 4.21Å; L176-V181 HydrophobicContact CB-CG2 4.23Å; L176-V181 HydrophobicContact CD1-CG2 4.49Å; A177-V181 PolarHBondContact O-N 2.89Å; G178-V181 PolarHBondContact O-N 3.29Å; G178-V181 VanDerWaalsContact O-N 3.09Å; V181-F183 VanDerWaalsContact C-N 3.33Å; V181-F183 PolarHBondContact O-N 3.07Å; V181-K184 WeakPolarHBondContact O-CB 2.99Å; V181-K184 PolarHBondContact O-N 2.8Å; V181-K184 VanDerWaalsContact O-N 3.15Å; V181-L185 PolarHBondContact O-N 2.85Å
182A98.9Very high98.1Very high0 Ų027.5 Ų27.50%014%0.144CC..Hα-helixtrans-58.9-43174.300000111.8I78 M79 G178 K184 L185 A186I78-A182 HydrophobicContact CB-CB 4.3Å; I78-A182 HydrophobicContact CG2-CB 4.04Å; M79-A182 HydrophobicContact CG-CB 4.14Å; G178-A182 PolarHBondContact O-N 2.8Å; A182-K184 VanDerWaalsContact C-N 3.31Å; A182-K184 PolarHBondContact O-N 3.42Å; A182-L185 PolarHBondContact O-N 2.69Å; A182-A186 WeakPolarHBondContact O-CB 3.09Å; A182-A186 PolarHBondContact O-N 2.96Å
183F98.8Very high98.1Very high0 Ų025.8 Ų25.80%013%0.132CC..Hα-helixtrans-62.8-35.7176.3-175.2-94.8000112.6L36 I78 A179 G180 V181 A186 T187 V193 P194 M197 L198 V201 L219L36-F183 HydrophobicContact CD1-CE1 4.39Å; I78-F183 HydrophobicContact CD1-CB 4.44Å; A179-F183 WeakPolarHBondContact O-CB 3.48Å; A179-F183 PolarHBondContact O-N 2.81Å; G180-F183 PolarHBondContact O-N 2.67Å; V181-F183 VanDerWaalsContact C-N 3.33Å; V181-F183 PolarHBondContact O-N 3.07Å; F183-A186 PolarHBondContact O-N 2.96Å; F183-T187 WeakPolarHBondContact O-CB 3.14Å; F183-T187 PolarHBondContact O-N 2.84Å; F183-T187 PolarHBondContact O-OG1 3.46Å; F183-V193 HydrophobicContact CE1-CG1 3.88Å; F183-V193 HydrophobicContact CZ-CG1 3.56Å; F183-P194 HydrophobicContact CD2-CG 4.16Å; F183-P194 HydrophobicContact CE2-CG 3.76Å; F183-P194 WeakPolarHBondContact CE2-O 3.13Å; F183-P194 HydrophobicContact CZ-CG 4.23Å; F183-M197 HydrophobicContact CD2-CB 4.03Å; F183-M197 HydrophobicContact CE2-CB 3.99Å; F183-L198 HydrophobicContact CE2-CD2 4.11Å; F183-L198 HydrophobicContact CE2-CG 4.48Å; F183-L198 HydrophobicContact CZ-CD2 3.72Å; F183-L198 HydrophobicContact CZ-CG 4.39Å; F183-V201 HydrophobicContact CB-CB 4.22Å; F183-V201 HydrophobicContact CB-CG2 4.01Å; F183-V201 HydrophobicContact CD2-CB 4.15Å; F183-V201 HydrophobicContact CD2-CG1 4.09Å; F183-V201 HydrophobicContact CE2-CG1 4.33Å; F183-V201 HydrophobicContact CG-CB 4.28Å; F183-V201 HydrophobicContact CG-CG1 4.41Å; F183-V201 HydrophobicContact CG-CG2 4.3Å; F183-L219 HydrophobicContact CD1-CD2 3.99Å; F183-L219 HydrophobicContact CE1-CD2 3.75Å; F183-L219 HydrophobicContact CZ-CD2 4.4Å
184K98.7Very high98.1Very high2 Ų225 Ų251%0.00913%0.128CC..Hα-helixtrans-69.6-41.9174.8-71.3-69.4171.2-179.80112.4H37 P39 M42 M45 Y171 L176 G180 V181 A182 A186 T187 A188 E215H37-K184 PolarHBondContact O-NZ 3.01Å; P39-K184 HydrophobicContact CB-CB 4.05Å; P39-K184 HydrophobicContact CB-CD 4.09Å; P39-K184 VanDerWaalsContact CB-O 3.31Å; P39-K184 WeakPolarHBondContact CB-O 3.2Å; M42-K184 HydrophobicContact CE-CB 4.29Å; M42-K184 HydrophobicContact CE-CG 4.26Å; M45-K184 HydrophobicContact CE-CB 4.06Å; Y171-K184 WeakPolarHBondContact OH-CE 3.28Å; L176-K184 HydrophobicContact CD1-CG 4.22Å; G180-K184 VanDerWaalsContact O-CG 3.29Å; G180-K184 WeakPolarHBondContact O-CG 3.44Å; G180-K184 PolarHBondContact O-N 3.09Å; V181-K184 WeakPolarHBondContact O-CB 2.99Å; V181-K184 PolarHBondContact O-N 2.8Å; V181-K184 VanDerWaalsContact O-N 3.15Å; A182-K184 VanDerWaalsContact C-N 3.31Å; A182-K184 PolarHBondContact O-N 3.42Å; K184-A186 VanDerWaalsContact C-N 3.33Å; K184-T187 WeakPolarHBondContact O-CB 3.24Å; K184-T187 PolarHBondContact O-N 3.3Å; K184-A188 PolarHBondContact O-N 2.98Å; K184-E215 WeakPolarHBondContact CE-OE1 3.19Å; K184-E215 IonicContact NZ-OE1 2.73Å; K184-E215 PolarHBondContact NZ-OE1 3.48Å
185L98.8Very high98.1Very high0 Ų028 Ų280%014%0.139CC..Hα-helixtrans-62.7-42.317317957.7000111.2M45 A48 V49 I52 M79 I121 T146 V181 A182 T187 A188 L189M45-L185 HydrophobicContact CE-CB 4.45Å; M45-L185 HydrophobicContact SD-CB 4.24Å; M45-L185 HydrophobicContact SD-CD1 3.69Å; A48-L185 HydrophobicContact CB-CD1 4.34Å; V49-L185 HydrophobicContact CG2-CD1 4.1Å; I52-L185 HydrophobicContact CD1-CD1 4.13Å; I52-L185 HydrophobicContact CD1-CD2 3.99Å; I52-L185 HydrophobicContact CD1-CG 4.46Å; M79-L185 HydrophobicContact CE-CD2 3.7Å; M79-L185 HydrophobicContact CE-CG 4.06Å; M79-L185 HydrophobicContact SD-CB 4.23Å; M79-L185 HydrophobicContact SD-CD2 3.86Å; M79-L185 HydrophobicContact SD-CG 4.05Å; I121-L185 HydrophobicContact CG2-CD2 4.44Å; T146-L185 HydrophobicContact CG2-CD2 3.84Å; V181-L185 PolarHBondContact O-N 2.85Å; A182-L185 PolarHBondContact O-N 2.69Å; L185-T187 VanDerWaalsContact C-N 3.35Å; L185-T187 PolarHBondContact O-N 3.29Å; L185-A188 PolarHBondContact O-N 3.25Å; L185-L189 HydrophobicContact CD1-CD1 4.09Å; L185-L189 HydrophobicContact CD1-CG 4.15Å; L185-L189 HydrophobicContact CG-CD1 3.95Å; L185-L189 HydrophobicContact CG-CG 4.47Å; L185-L189 WeakPolarHBondContact O-CB 3.4Å; L185-L189 WeakPolarHBondContact O-CG 3.42Å; L185-L189 PolarHBondContact O-N 3.3Å
186A98.7Very high98Very high0 Ų029.1 Ų29.10%014%0.144CC..Hα-helixtrans-58.4-45.9173.500000112.1I78 T82 A182 F183 K184 A188 L189 L190 P194 M197I78-A186 HydrophobicContact CG2-CB 4Å; T82-A186 HydrophobicContact CG2-CB 3.98Å; T82-A186 WeakPolarHBondContact OG1-CB 3.44Å; A182-A186 WeakPolarHBondContact O-CB 3.09Å; A182-A186 PolarHBondContact O-N 2.96Å; F183-A186 PolarHBondContact O-N 2.96Å; K184-A186 VanDerWaalsContact C-N 3.33Å; A186-A188 VanDerWaalsContact C-N 3.3Å; A186-A188 PolarHBondContact O-N 3.21Å; A186-L189 PolarHBondContact O-N 2.84Å; A186-L190 WeakPolarHBondContact O-CB 3.42Å; A186-L190 WeakPolarHBondContact O-CG 3.49Å; A186-L190 PolarHBondContact O-N 3.35Å; A186-P194 HydrophobicContact CB-CG 4.19Å; A186-M197 HydrophobicContact CB-SD 4.2Å
187T98.5Very high98Very high14 Ų1429.1 Ų29.19%0.08614%0.144CC..Hα-helixtrans-58.7-41.5175.6-57.30000111.8P39 F183 K184 L185 E191 E192 V193 P194P39-T187 HydrophobicContact CG-CG2 4.16Å; F183-T187 WeakPolarHBondContact O-CB 3.14Å; F183-T187 PolarHBondContact O-N 2.84Å; F183-T187 PolarHBondContact O-OG1 3.46Å; K184-T187 WeakPolarHBondContact O-CB 3.24Å; K184-T187 PolarHBondContact O-N 3.3Å; L185-T187 VanDerWaalsContact C-N 3.35Å; L185-T187 PolarHBondContact O-N 3.29Å; T187-E191 WeakPolarHBondContact O-CA 3.45Å; T187-E191 PolarHBondContact O-N 3.42Å; T187-E192 WeakPolarHBondContact CA-O 3.39Å; T187-E192 PolarHBondContact O-N 2.81Å; T187-V193 HydrophobicContact CG2-CG2 3.96Å; T187-P194 WeakPolarHBondContact OG1-CD 3.36Å
188A98.5Very high98Very high3 Ų329.6 Ų29.63%0.02515%0.146CC..Hα-helixtrans-70.5-37.3179.200000112.7P39 F40 M45 V49 K184 L185 A186P39-A188 HydrophobicContact CB-CB 4.05Å; P39-A188 HydrophobicContact CG-CB 3.94Å; F40-A188 HydrophobicContact CE1-CB 4.43Å; F40-A188 HydrophobicContact CE2-CB 4.25Å; F40-A188 HydrophobicContact CZ-CB 4Å; M45-A188 HydrophobicContact CG-CB 4.04Å; M45-A188 HydrophobicContact SD-CB 3.9Å; V49-A188 HydrophobicContact CG2-CB 3.65Å; K184-A188 PolarHBondContact O-N 2.98Å; L185-A188 PolarHBondContact O-N 3.25Å; A186-A188 VanDerWaalsContact C-N 3.3Å; A186-A188 PolarHBondContact O-N 3.21Å
189L98.3Very high98Very high13 Ų1329.8 Ų29.87%0.06815%0.147CC..Hα-helixtrans-72-37.5178.2-74.4167.6000113V49 I52 M79 T82 I86 L185 A186V49-L189 HydrophobicContact CB-CD2 4.47Å; V49-L189 HydrophobicContact CG1-CD2 4.23Å; V49-L189 HydrophobicContact CG2-CD2 4.3Å; V49-L189 HydrophobicContact CG2-CG 4.42Å; I52-L189 HydrophobicContact CB-CD2 4.01Å; I52-L189 HydrophobicContact CD1-CD1 4.14Å; I52-L189 HydrophobicContact CD1-CD2 4.39Å; I52-L189 HydrophobicContact CG2-CD1 4.24Å; I52-L189 HydrophobicContact CG2-CD2 3.7Å; M79-L189 HydrophobicContact CE-CD1 3.94Å; T82-L189 HydrophobicContact CG2-CB 4.23Å; T82-L189 HydrophobicContact CG2-CD1 4.11Å; I86-L189 HydrophobicContact CD1-CB 4.12Å; L185-L189 HydrophobicContact CD1-CD1 4.09Å; L185-L189 HydrophobicContact CD1-CG 4.15Å; L185-L189 HydrophobicContact CG-CD1 3.95Å; L185-L189 HydrophobicContact CG-CG 4.47Å; L185-L189 WeakPolarHBondContact O-CB 3.4Å; L185-L189 WeakPolarHBondContact O-CG 3.42Å; L185-L189 PolarHBondContact O-N 3.3Å; A186-L189 PolarHBondContact O-N 2.84Å
190L97.6Very high98Very high42 Ų4229.8 Ų29.822%0.2215%0.147CC..Hα-helixtrans-87.2-11.6-179.9-62.5172.9000113T82 M85 I86 A186 E192 P194T82-L190 HydrophobicContact CG2-CD1 4.26Å; T82-L190 HydrophobicContact CG2-CD2 4.36Å; T82-L190 HydrophobicContact CG2-CG 4.1Å; M85-L190 HydrophobicContact CE-CD1 3.91Å; I86-L190 HydrophobicContact CD1-CD2 4.18Å; I86-L190 HydrophobicContact CG1-CD2 3.91Å; A186-L190 WeakPolarHBondContact O-CB 3.42Å; A186-L190 WeakPolarHBondContact O-CG 3.49Å; A186-L190 PolarHBondContact O-N 3.35Å; L190-E192 HydrophobicContact CB-CG 4.48Å; L190-E192 PolarHBondContact O-N 3.18Å; L190-E192 VanDerWaalsContact O-N 3.13Å; L190-P194 HydrophobicContact CD1-CB 3.9Å; L190-P194 HydrophobicContact CD1-CG 4.31Å
191E96.8Very high98Very high166 Ų16629.8 Ų29.878%0.77615%0.147SC*.SBendtrans60.412.7-174.7-54.3-178.3-177.800114.3T187T187-E191 WeakPolarHBondContact O-CA 3.45Å; T187-E191 PolarHBondContact O-N 3.42Å
192E96.6Very high98Very high142 Ų14229.8 Ų29.866%0.66415%0.147SC*.SBendtrans-149.2159.4175.167.2-177.216700110.9T187 L190 P194T187-E192 WeakPolarHBondContact CA-O 3.39Å; T187-E192 PolarHBondContact O-N 2.81Å; L190-E192 HydrophobicContact CB-CG 4.48Å; L190-E192 PolarHBondContact O-N 3.18Å; L190-E192 VanDerWaalsContact O-N 3.13Å; E192-P194 VanDerWaalsContact O-CD 3.31Å; E192-P194 WeakPolarHBondContact O-CD 3.41Å
193V97.2Very high98Very high39 Ų3929.8 Ų29.824%0.23615%0.147CC..  trans-75.3117179.5179.40000109.6I33 L36 F183 T187 L195I33-V193 HydrophobicContact CG2-CB 4.03Å; I33-V193 HydrophobicContact CG2-CG1 4.09Å; I33-V193 HydrophobicContact CG2-CG2 3.89Å; L36-V193 HydrophobicContact CD1-CG1 4.17Å; F183-V193 HydrophobicContact CE1-CG1 3.88Å; F183-V193 HydrophobicContact CZ-CG1 3.56Å; T187-V193 HydrophobicContact CG2-CG2 3.96Å; V193-L195 HydrophobicContact CG1-CD2 4.13Å; V193-L195 PolarHBondContact O-N 2.8Å
194P97Very high98Very high2 Ų229.8 Ų29.81%0.01315%0.147CC..  trans-77.393.6-176.629.8-32.6000111.2F183 A186 T187 L190 E192 E196 M197F183-P194 HydrophobicContact CD2-CG 4.16Å; F183-P194 HydrophobicContact CE2-CG 3.76Å; F183-P194 WeakPolarHBondContact CE2-O 3.13Å; F183-P194 HydrophobicContact CZ-CG 4.23Å; A186-P194 HydrophobicContact CB-CG 4.19Å; T187-P194 WeakPolarHBondContact OG1-CD 3.36Å; L190-P194 HydrophobicContact CD1-CB 3.9Å; L190-P194 HydrophobicContact CD1-CG 4.31Å; E192-P194 VanDerWaalsContact O-CD 3.31Å; E192-P194 WeakPolarHBondContact O-CD 3.41Å; P194-E196 PolarHBondContact O-N 2.87Å; P194-M197 HydrophobicContact CB-CB 4.38Å; P194-M197 HydrophobicContact CB-CE 4.26Å; P194-M197 HydrophobicContact CB-CG 4.14Å; P194-M197 HydrophobicContact CB-SD 3.65Å; P194-M197 HydrophobicContact CG-CB 4.34Å; P194-M197 HydrophobicContact CG-CG 4.4Å; P194-M197 HydrophobicContact CG-SD 3.6Å; P194-M197 VanDerWaalsContact CG-SD 3.6Å; P194-M197 PolarHBondContact O-N 3.1Å
195L96.4Very high98Very high85 Ų8529.7 Ų29.745%0.44515%0.147SC..G310 helixtrans-63.3-29.4-172.1-59.3-176.9000113.3I33 V193 M197 L198I33-L195 HydrophobicContact CD1-CD1 4.48Å; I33-L195 HydrophobicContact CD1-CD2 3.51Å; I33-L195 HydrophobicContact CG1-CD2 4.13Å; V193-L195 HydrophobicContact CG1-CD2 4.13Å; V193-L195 PolarHBondContact O-N 2.8Å; L195-M197 PolarHBondContact O-N 3.31Å; L195-L198 HydrophobicContact CB-CD1 4.37Å; L195-L198 HydrophobicContact CD2-CD1 3.97Å; L195-L198 WeakPolarHBondContact O-CB 3.29Å; L195-L198 WeakPolarHBondContact O-CG 3.33Å; L195-L198 PolarHBondContact O-N 3.21Å
196E96Very high98Very high104 Ų10430.1 Ų30.149%0.48615%0.15SC..G310 helixtrans-68.2-16176.259.1-88.8-158.600114.2P194 R232P194-E196 PolarHBondContact O-N 2.87Å; E196-R232 PolarHBondContact O-NH2 2.62Å
197M98.3Very high97.9Very high0 Ų031 Ų310%016%0.157CC..G310 helixtrans-97.4-0.6177-63.4171.8-174.200112.9I78 E81 T82 M85 F183 A186 P194 L195 D199 L200 V201I78-M197 HydrophobicContact CG1-CB 4.41Å; I78-M197 HydrophobicContact CG2-SD 3.89Å; E81-M197 HydrophobicContact CB-CE 3.71Å; T82-M197 VanDerWaalsContact OG1-CE 3.26Å; T82-M197 WeakPolarHBondContact OG1-CE 3.46Å; M85-M197 HydrophobicContact CE-CE 3.14Å; F183-M197 HydrophobicContact CD2-CB 4.03Å; F183-M197 HydrophobicContact CE2-CB 3.99Å; A186-M197 HydrophobicContact CB-SD 4.2Å; P194-M197 HydrophobicContact CB-CB 4.38Å; P194-M197 HydrophobicContact CB-CE 4.26Å; P194-M197 HydrophobicContact CB-CG 4.14Å; P194-M197 HydrophobicContact CB-SD 3.65Å; P194-M197 HydrophobicContact CG-CB 4.34Å; P194-M197 HydrophobicContact CG-CG 4.4Å; P194-M197 HydrophobicContact CG-SD 3.6Å; P194-M197 VanDerWaalsContact CG-SD 3.6Å; P194-M197 PolarHBondContact O-N 3.1Å; L195-M197 PolarHBondContact O-N 3.31Å; M197-D199 PolarHBondContact O-N 3.23Å; M197-L200 PolarHBondContact O-N 3.32Å; M197-V201 PolarHBondContact O-N 2.7Å; M197-V201 VanDerWaalsContact O-N 3.1Å
198L98.4Very high97.8Very high9 Ų932.5 Ų32.55%0.04716%0.164CC..Hα-helixtrans-61.2-27.3178.2-74.2173.3000112.4F183 L195 V201 T202 L219 L222 G223 A226F183-L198 HydrophobicContact CE2-CD2 4.11Å; F183-L198 HydrophobicContact CE2-CG 4.48Å; F183-L198 HydrophobicContact CZ-CD2 3.72Å; F183-L198 HydrophobicContact CZ-CG 4.39Å; L195-L198 HydrophobicContact CB-CD1 4.37Å; L195-L198 HydrophobicContact CD2-CD1 3.97Å; L195-L198 WeakPolarHBondContact O-CB 3.29Å; L195-L198 WeakPolarHBondContact O-CG 3.33Å; L195-L198 PolarHBondContact O-N 3.21Å; L198-V201 HydrophobicContact CD2-CG1 4.38Å; L198-V201 WeakPolarHBondContact O-CG1 2.99Å; L198-T202 VanDerWaalsContact O-CB 3.31Å; L198-T202 WeakPolarHBondContact O-CB 3.37Å; L198-T202 PolarHBondContact O-N 2.8Å; L198-T202 PolarHBondContact O-OG1 2.77Å; L198-L219 HydrophobicContact CD2-CD2 4.31Å; L198-L222 HydrophobicContact CD1-CB 4.09Å; L198-L222 HydrophobicContact CD2-CB 4.27Å; L198-G223 WeakPolarHBondContact O-CA 3.3Å; L198-A226 HydrophobicContact CB-CB 3.88Å
199D98.4Very high97.7Very high4 Ų438 Ų382%0.02119%0.193CC..Hα-helixtrans-69.4-46.1174.260.33.7000112.2M197 T202 I203 I227 T230 R232 L235M197-D199 PolarHBondContact O-N 3.23Å; D199-T202 PolarHBondContact O-N 2.84Å; D199-I203 VanDerWaalsContact O-CG1 3.31Å; D199-I203 WeakPolarHBondContact O-CG1 3.07Å; D199-I203 PolarHBondContact O-N 3.34Å; D199-I227 HydrophobicContact CB-CD1 4.37Å; D199-I227 HydrophobicContact CB-CG1 3.47Å; D199-I227 VanDerWaalsContact CB-CG1 3.47Å; D199-T230 PolarHBondContact OD2-OG1 2.95Å; D199-R232 IonicContact OD1-CZ 3.7Å; D199-R232 IonicContact OD1-NE 3.96Å; D199-R232 PolarHBondContact OD1-NE 3.22Å; D199-R232 VanDerWaalsContact OD1-NE 3.09Å; D199-R232 IonicContact OD1-NH2 3.21Å; D199-R232 IonicContact OD2-NE 3.84Å; D199-R232 PolarHBondContact OD2-NE 3.29Å; D199-L235 HydrophobicContact CB-CD2 4.02Å
200L98.8Very high97.6Very high0 Ų038.1 Ų38.10%019%0.194CC..Hα-helixtrans-61.3-51.1177.6-65.2176.2000112T74 I78 M197 T202 I203 G204 M278T74-L200 WeakPolarHBondContact CB-O 3.28Å; T74-L200 HydrophobicContact CG2-CD2 4.36Å; I78-L200 HydrophobicContact CD1-CB 3.98Å; I78-L200 HydrophobicContact CG1-CB 3.68Å; I78-L200 HydrophobicContact CG1-CD1 3.83Å; I78-L200 HydrophobicContact CG1-CG 4.42Å; M197-L200 PolarHBondContact O-N 3.32Å; L200-T202 PolarHBondContact O-N 3.43Å; L200-I203 PolarHBondContact O-N 3.41Å; L200-I203 VanDerWaalsContact O-N 3.08Å; L200-G204 PolarHBondContact O-N 3.23Å; L200-M278 HydrophobicContact CD2-CB 4.2Å; L200-M278 HydrophobicContact CD2-CE 3.49Å; L200-M278 VanDerWaalsContact CD2-CE 3.49Å
201V98.8Very high97.6Very high0 Ų036.3 Ų36.30%019%0.185CC..Hα-helixtrans-61.5-36.1179.966.80000111.6I78 A179 F183 M197 L198 G204 T205 L219I78-V201 HydrophobicContact CD1-CB 4.18Å; A179-V201 HydrophobicContact CB-CG2 4.41Å; F183-V201 HydrophobicContact CB-CB 4.22Å; F183-V201 HydrophobicContact CB-CG2 4.01Å; F183-V201 HydrophobicContact CD2-CB 4.15Å; F183-V201 HydrophobicContact CD2-CG1 4.09Å; F183-V201 HydrophobicContact CE2-CG1 4.33Å; F183-V201 HydrophobicContact CG-CB 4.28Å; F183-V201 HydrophobicContact CG-CG1 4.41Å; F183-V201 HydrophobicContact CG-CG2 4.3Å; M197-V201 PolarHBondContact O-N 2.7Å; M197-V201 VanDerWaalsContact O-N 3.1Å; L198-V201 HydrophobicContact CD2-CG1 4.38Å; L198-V201 WeakPolarHBondContact O-CG1 2.99Å; V201-G204 PolarHBondContact O-N 2.76Å; V201-T205 VanDerWaalsContact O-CB 3.26Å; V201-T205 WeakPolarHBondContact O-CB 3.29Å; V201-T205 PolarHBondContact O-N 3.01Å; V201-T205 PolarHBondContact O-OG1 3.2Å; V201-L219 HydrophobicContact CG1-CD2 4.43Å; V201-L219 HydrophobicContact CG2-CD1 4.06Å
202T98.7Very high97.6Very high0 Ų028.7 Ų28.70%015%0.149CC..Hα-helixtrans-64.7-41.3175.1-66.40000112.1L198 D199 L200 V206 L219 V220 G223 L224 I227L198-T202 VanDerWaalsContact O-CB 3.31Å; L198-T202 WeakPolarHBondContact O-CB 3.37Å; L198-T202 PolarHBondContact O-N 2.8Å; L198-T202 PolarHBondContact O-OG1 2.77Å; D199-T202 PolarHBondContact O-N 2.84Å; L200-T202 PolarHBondContact O-N 3.43Å; T202-V206 HydrophobicContact CG2-CG2 4.37Å; T202-V206 WeakPolarHBondContact O-CB 3.35Å; T202-V206 VanDerWaalsContact O-CG2 3.25Å; T202-V206 WeakPolarHBondContact O-CG2 3.26Å; T202-V206 PolarHBondContact O-N 3.03Å; T202-L219 PolarHBondContact OG1-O 2.92Å; T202-V220 HydrophobicContact CG2-CB 4.43Å; T202-V220 HydrophobicContact CG2-CG1 4.1Å; T202-V220 HydrophobicContact CG2-CG2 4.37Å; T202-G223 VanDerWaalsContact OG1-CA 3.23Å; T202-G223 WeakPolarHBondContact OG1-CA 3.49Å; T202-L224 HydrophobicContact CG2-CD2 4.27Å; T202-L224 HydrophobicContact CG2-CG 4.23Å; T202-I227 HydrophobicContact CG2-CD1 3.8Å
203I98.8Very high97.6Very high0 Ų024.2 Ų24.20%013%0.132CC..Hα-helixtrans-65.2-47.8178.4-67.1162.4000110.6T74 D199 L200 A207 L235 I254 V258 L262 M278T74-I203 HydrophobicContact CG2-CB 3.94Å; T74-I203 HydrophobicContact CG2-CG2 3.8Å; D199-I203 VanDerWaalsContact O-CG1 3.31Å; D199-I203 WeakPolarHBondContact O-CG1 3.07Å; D199-I203 PolarHBondContact O-N 3.34Å; L200-I203 PolarHBondContact O-N 3.41Å; L200-I203 VanDerWaalsContact O-N 3.08Å; I203-A207 WeakPolarHBondContact O-CB 3.16Å; I203-A207 PolarHBondContact O-N 3.38Å; I203-L235 HydrophobicContact CD1-CD1 3.79Å; I203-L235 HydrophobicContact CD1-CD2 3.97Å; I203-L235 HydrophobicContact CD1-CG 4.49Å; I203-I254 HydrophobicContact CB-CG2 4.37Å; I203-I254 HydrophobicContact CG1-CD1 4.31Å; I203-I254 HydrophobicContact CG1-CG2 4.18Å; I203-I254 HydrophobicContact CG2-CG2 4.46Å; I203-V258 HydrophobicContact CD1-CG1 4.36Å; I203-V258 HydrophobicContact CG1-CG1 4.48Å; I203-V258 HydrophobicContact CG2-CG1 4.18Å; I203-L262 HydrophobicContact CG2-CD1 3.62Å; I203-M278 HydrophobicContact CD1-CE 3.8Å
204G98.6Very high97.4Very high0 Ų024.3 Ų24.30%014%0.141CC..Hα-helixtrans-59.3-53.3177.300000111.9T74 L200 V201 V206 A207 D208T74-G204 WeakPolarHBondContact OG1-CA 3.45Å; L200-G204 PolarHBondContact O-N 3.23Å; V201-G204 PolarHBondContact O-N 2.76Å; G204-V206 PolarHBondContact O-N 3.4Å; G204-A207 PolarHBondContact O-N 2.99Å; G204-A207 VanDerWaalsContact O-N 3.16Å; G204-D208 WeakPolarHBondContact O-CB 3.06Å; G204-D208 PolarHBondContact O-N 3.47Å
205T98.6Very high97.4Very high0 Ų024.3 Ų24.30%014%0.141CC..Hα-helixtrans-57.3-44.6-179.9-62.20000113.2V201 V210 N216 V220V201-T205 VanDerWaalsContact O-CB 3.26Å; V201-T205 WeakPolarHBondContact O-CB 3.29Å; V201-T205 PolarHBondContact O-N 3.01Å; V201-T205 PolarHBondContact O-OG1 3.2Å; T205-V210 HydrophobicContact CG2-CG2 3.7Å; T205-N216 HydrophobicContact CG2-CB 3.77Å; T205-V220 HydrophobicContact CG2-CG2 3.66Å
206V98.6Very high97.4Very high10 Ų1020.3 Ų20.36%0.06112%0.12CC..Hα-helixtrans-73.3-36180174.50000111.5T202 G204 M212 V220 E251 I254T202-V206 HydrophobicContact CG2-CG2 4.37Å; T202-V206 WeakPolarHBondContact O-CB 3.35Å; T202-V206 VanDerWaalsContact O-CG2 3.25Å; T202-V206 WeakPolarHBondContact O-CG2 3.26Å; T202-V206 PolarHBondContact O-N 3.03Å; G204-V206 PolarHBondContact O-N 3.4Å; V206-M212 HydrophobicContact CG2-CE 4Å; V206-V220 HydrophobicContact CG2-CG1 3.94Å; V206-V220 HydrophobicContact CG2-CG2 3.98Å; V206-E251 WeakPolarHBondContact CG1-O 3.41Å; V206-I254 HydrophobicContact CB-CB 4.26Å; V206-I254 HydrophobicContact CB-CG2 3.72Å; V206-I254 HydrophobicContact CG1-CB 3.91Å; V206-I254 HydrophobicContact CG1-CG2 3.79Å; V206-I254 HydrophobicContact CG2-CG2 4.39Å
207A97.2Very high97.4Very high17 Ų1716 Ų1614%0.1410%0.099CC..Hα-helixtrans-75-29-177.200000113.2A70 I203 G204 L209A70-A207 HydrophobicContact CB-CB 3.49Å; A70-A207 VanDerWaalsContact CB-CB 3.49Å; I203-A207 WeakPolarHBondContact O-CB 3.16Å; I203-A207 PolarHBondContact O-N 3.38Å; G204-A207 PolarHBondContact O-N 2.99Å; G204-A207 VanDerWaalsContact O-N 3.16Å; A207-L209 VanDerWaalsContact C-N 3.34Å
208D97.1Very high97.3Very high46 Ų4617 Ų1725%0.24611%0.105CC..Hα-helixtrans-77.5-19.6177.4-167.556.7000113.5D71 H148 A177 G204 V210D71-D208 HydrophobicContact CB-CB 4.05Å; H148-D208 IonicContact CE1-OD2 3.71Å; H148-D208 PolarHBondContact CE1-OD2 3.48Å; H148-D208 VanDerWaalsContact CE1-OD2 3.23Å; H148-D208 IonicContact NE2-OD2 3.27Å; A177-D208 HydrophobicContact CB-CB 4.48Å; G204-D208 WeakPolarHBondContact O-CB 3.06Å; G204-D208 PolarHBondContact O-N 3.47Å; D208-V210 VanDerWaalsContact C-N 3.28Å; D208-V210 HydrophobicContact CB-CG1 4.41Å; D208-V210 PolarHBondContact O-N 3.1Å; D208-V210 WeakPolarHBondContact OD2-CG1 3.44Å
209L95.3Very high97.3Very high120 Ų12016.6 Ų16.663%0.62810%0.102SC*.THydrogen-bonded Turntrans64.428.3-178.2-48.5171.2000113.6A207 T453A207-L209 VanDerWaalsContact C-N 3.34Å; L209-T453 VanDerWaalsContact O-CB 3.28Å; L209-T453 WeakPolarHBondContact O-CB 3.42Å; L209-T453 PolarHBondContact O-OG1 3.45Å
210V97Very high97.3Very high15 Ų1516.4 Ų16.49%0.09110%0.101CC..  trans-59.5166.1165.2-670000112.3E175 A177 T205 D208 M212 N216E175-V210 WeakPolarHBondContact O-CB 3.31Å; A177-V210 HydrophobicContact CB-CG1 4.07Å; A177-V210 HydrophobicContact CB-CG2 3.91Å; T205-V210 HydrophobicContact CG2-CG2 3.7Å; D208-V210 VanDerWaalsContact C-N 3.28Å; D208-V210 HydrophobicContact CB-CG1 4.41Å; D208-V210 PolarHBondContact O-N 3.1Å; D208-V210 WeakPolarHBondContact OD2-CG1 3.44Å; V210-M212 PolarHBondContact O-N 2.77Å; V210-N216 WeakPolarHBondContact CG2-ND2 3.5Å
211S97.5Very high97.2Very high4 Ų417.8 Ų17.83%0.02811%0.107CC..  trans-50121.5176.7-166.70000112.2T213 N216 D454S211-T213 PolarHBondContact O-N 3.28Å; S211-T213 PolarHBondContact OG-OG1 3.42Å; S211-N216 VanDerWaalsContact O-CB 3.27Å; S211-N216 WeakPolarHBondContact O-CB 3.36Å; S211-N216 PolarHBondContact O-ND2 3.23Å; S211-D454 WeakPolarHBondContact CB-OD2 3.43Å; S211-D454 WeakPolarHBondContact OG-CB 3.13Å; S211-D454 PolarHBondContact OG-OD2 3.08Å
212M97.3Very high97.1Very high5 Ų519.2 Ų19.23%0.02511%0.114CC..SBendtrans-84.638.7176.7-166.355.263.500111.4V206 V210 V220 P450 T453 N455V206-M212 HydrophobicContact CG2-CE 4Å; V210-M212 PolarHBondContact O-N 2.77Å; M212-V220 HydrophobicContact CE-CG1 4.41Å; M212-V220 HydrophobicContact CE-CG2 4.09Å; M212-V220 HydrophobicContact SD-CB 4.02Å; M212-V220 HydrophobicContact SD-CG1 4.06Å; M212-V220 HydrophobicContact SD-CG2 3.95Å; M212-P450 HydrophobicContact CG-CB 4.26Å; M212-P450 HydrophobicContact CG-CG 4.06Å; M212-P450 WeakPolarHBondContact CG-O 3.29Å; M212-P450 HydrophobicContact SD-CB 3.98Å; M212-P450 HydrophobicContact SD-CG 3.64Å; M212-T453 WeakPolarHBondContact CB-O 3.45Å; M212-T453 PolarHBondContact N-O 3.5Å; M212-N455 HydrophobicContact CB-CB 4.33Å
213T94.9Very high97.1Very high48 Ų4819.2 Ų19.229%0.29411%0.114SC..SBendtrans-119.8177.4-179.468.60000110.3F173 S211 E215 N216 R217 D454F173-T213 WeakPolarHBondContact CZ-O 3.34Å; S211-T213 PolarHBondContact O-N 3.28Å; S211-T213 PolarHBondContact OG-OG1 3.42Å; T213-E215 PolarHBondContact O-N 3.21Å; T213-N216 PolarHBondContact O-N 3.17Å; T213-R217 PolarHBondContact O-N 3.4Å; T213-D454 HydrophobicContact CG2-CB 3.79Å
214G94.1Very high97Very high42 Ų4219.8 Ų19.843%0.43312%0.118SC..Hα-helixtrans47.5-125.9173.300000113.9R217 N218G214-R217 WeakPolarHBondContact O-CB 3.36Å; G214-R217 PolarHBondContact O-N 3.26Å; G214-N218 PolarHBondContact O-N 3.23Å
215E96.2Very high96.9Very high2 Ų224.9 Ų24.91%0.00914%0.142CC..Hα-helixtrans-71.1-38-174.3-172.3163.7-139.100113.6L36 H37 Y171 F173 L176 K184 T213 R217 N218 L219L36-E215 HydrophobicContact CD2-CG 3.98Å; H37-E215 IonicContact CD2-OE1 2.87Å; H37-E215 IonicContact CD2-OE2 3.85Å; H37-E215 PolarHBondContact CD2-OE2 3.01Å; H37-E215 PolarHBondContact N-OE1 3.18Å; Y171-E215 WeakPolarHBondContact CE1-OE2 3.42Å; Y171-E215 PolarHBondContact OH-OE1 3.01Å; Y171-E215 PolarHBondContact OH-OE2 3.42Å; F173-E215 HydrophobicContact CB-CB 4.22Å; F173-E215 HydrophobicContact CD1-CB 3.57Å; F173-E215 HydrophobicContact CE1-CB 4.06Å; F173-E215 HydrophobicContact CG-CB 3.91Å; L176-E215 HydrophobicContact CD2-CB 4.28Å; L176-E215 HydrophobicContact CD2-CG 4.16Å; K184-E215 WeakPolarHBondContact CE-OE1 3.19Å; K184-E215 IonicContact NZ-OE1 2.73Å; K184-E215 PolarHBondContact NZ-OE1 3.48Å; T213-E215 PolarHBondContact O-N 3.21Å; E215-R217 VanDerWaalsContact C-N 3.25Å; E215-R217 PolarHBondContact O-N 2.69Å; E215-N218 WeakPolarHBondContact O-CB 3.43Å; E215-N218 PolarHBondContact O-N 3.44Å; E215-L219 HydrophobicContact CG-CD1 4.22Å; E215-L219 HydrophobicContact CG-CG 4.44Å; E215-L219 WeakPolarHBondContact O-CG 3.46Å; E215-L219 PolarHBondContact O-N 3.13Å
216N97.5Very high96.8Very high0 Ų026.3 Ų26.30%015%0.153CC..Hα-helixtrans-56.2-43.1174.7-78.2-18.5000111.4F173 E175 L176 T205 V210 S211 T213 N218 L219 V220F173-N216 HydrophobicContact CE1-CB 4.09Å; F173-N216 HydrophobicContact CZ-CB 4.18Å; E175-N216 PolarHBondContact O-ND2 3.19Å; L176-N216 WeakPolarHBondContact CD2-OD1 3.41Å; T205-N216 HydrophobicContact CG2-CB 3.77Å; V210-N216 WeakPolarHBondContact CG2-ND2 3.5Å; S211-N216 VanDerWaalsContact O-CB 3.27Å; S211-N216 WeakPolarHBondContact O-CB 3.36Å; S211-N216 PolarHBondContact O-ND2 3.23Å; T213-N216 PolarHBondContact O-N 3.17Å; N216-N218 VanDerWaalsContact C-N 3.31Å; N216-N218 PolarHBondContact O-N 2.84Å; N216-L219 PolarHBondContact O-N 3.34Å; N216-V220 WeakPolarHBondContact O-CB 3.18Å; N216-V220 VanDerWaalsContact O-CG2 3.27Å; N216-V220 WeakPolarHBondContact O-CG2 3.34Å; N216-V220 PolarHBondContact O-N 3.45Å
217R96Very high96.8Very high14 Ų1425.8 Ų25.85%0.05315%0.15CC..Hα-helixtrans-59.3-43.1176.9-178.2178.9175.775.3-1.2111.8L28 T213 G214 E215 K221 L448 A449 P450 N455L28-R217 VanDerWaalsContact CD2-NH2 3.31Å; L28-R217 PolarHBondContact O-NE 3.35Å; L28-R217 VanDerWaalsContact O-NE 3.16Å; L28-R217 PolarHBondContact O-NH2 3.44Å; L28-R217 VanDerWaalsContact O-NH2 3.14Å; T213-R217 PolarHBondContact O-N 3.4Å; G214-R217 WeakPolarHBondContact O-CB 3.36Å; G214-R217 PolarHBondContact O-N 3.26Å; E215-R217 VanDerWaalsContact C-N 3.25Å; E215-R217 PolarHBondContact O-N 2.69Å; R217-K221 WeakPolarHBondContact O-CB 3.48Å; R217-K221 WeakPolarHBondContact O-CG 3.35Å; R217-K221 PolarHBondContact O-N 3.05Å; R217-L448 VanDerWaalsContact CZ-O 3.3Å; R217-L448 PolarHBondContact NH1-O 3.08Å; R217-L448 PolarHBondContact NH2-O 2.85Å; R217-A449 PolarHBondContact NH1-O 3.03Å; R217-A449 PolarHBondContact NH2-O 2.82Å; R217-P450 HydrophobicContact CG-CG 4.37Å; R217-P450 PolarHBondContact NH1-O 2.92Å; R217-P450 VanDerWaalsContact NH1-O 3.12Å; R217-N455 PolarHBondContact NH1-ND2 3.34Å
218N95.7Very high96.8Very high22 Ų2227.3 Ų27.312%0.11815%0.154CC..Hα-helixtrans-65.3-46.2178.8-72.6-13.1000111.1A31 L36 G214 E215 N216 K221 L222A31-N218 HydrophobicContact CB-CB 4.4Å; L36-N218 HydrophobicContact CD2-CB 4.13Å; G214-N218 PolarHBondContact O-N 3.23Å; E215-N218 WeakPolarHBondContact O-CB 3.43Å; E215-N218 PolarHBondContact O-N 3.44Å; N216-N218 VanDerWaalsContact C-N 3.31Å; N216-N218 PolarHBondContact O-N 2.84Å; N218-K221 PolarHBondContact O-N 3.27Å; N218-L222 WeakPolarHBondContact O-CG 3.36Å; N218-L222 PolarHBondContact O-N 3.16Å
219L97.9Very high96.8Very high0 Ų032 Ų320%017%0.174CC..Hα-helixtrans-58.4-50.5176.1-71.4169.9000111.5L36 L176 F183 L198 V201 T202 E215 N216 K221 L222 G223L36-L219 HydrophobicContact CD1-CD2 4.01Å; L36-L219 HydrophobicContact CD2-CD2 3.78Å; L36-L219 HydrophobicContact CD2-CG 3.95Å; L176-L219 HydrophobicContact CD2-CD1 4.24Å; F183-L219 HydrophobicContact CD1-CD2 3.99Å; F183-L219 HydrophobicContact CE1-CD2 3.75Å; F183-L219 HydrophobicContact CZ-CD2 4.4Å; L198-L219 HydrophobicContact CD2-CD2 4.31Å; V201-L219 HydrophobicContact CG1-CD2 4.43Å; V201-L219 HydrophobicContact CG2-CD1 4.06Å; T202-L219 PolarHBondContact OG1-O 2.92Å; E215-L219 HydrophobicContact CG-CD1 4.22Å; E215-L219 HydrophobicContact CG-CG 4.44Å; E215-L219 WeakPolarHBondContact O-CG 3.46Å; E215-L219 PolarHBondContact O-N 3.13Å; N216-L219 PolarHBondContact O-N 3.34Å; L219-K221 PolarHBondContact O-N 3.12Å; L219-L222 PolarHBondContact O-N 3.27Å; L219-G223 PolarHBondContact O-N 3.24Å
220V98Very high96.9Very high0 Ų027.1 Ų27.10%015%0.149CC..Hα-helixtrans-64.2-39.1-180172.30000111.3T202 T205 V206 M212 N216 G223 L224 P450T202-V220 HydrophobicContact CG2-CB 4.43Å; T202-V220 HydrophobicContact CG2-CG1 4.1Å; T202-V220 HydrophobicContact CG2-CG2 4.37Å; T205-V220 HydrophobicContact CG2-CG2 3.66Å; V206-V220 HydrophobicContact CG2-CG1 3.94Å; V206-V220 HydrophobicContact CG2-CG2 3.98Å; M212-V220 HydrophobicContact CE-CG1 4.41Å; M212-V220 HydrophobicContact CE-CG2 4.09Å; M212-V220 HydrophobicContact SD-CB 4.02Å; M212-V220 HydrophobicContact SD-CG1 4.06Å; M212-V220 HydrophobicContact SD-CG2 3.95Å; N216-V220 WeakPolarHBondContact O-CB 3.18Å; N216-V220 VanDerWaalsContact O-CG2 3.27Å; N216-V220 WeakPolarHBondContact O-CG2 3.34Å; N216-V220 PolarHBondContact O-N 3.45Å; V220-G223 PolarHBondContact O-N 2.73Å; V220-L224 HydrophobicContact CG1-CD1 3.91Å; V220-L224 HydrophobicContact CG1-CG 4.13Å; V220-L224 VanDerWaalsContact O-CB 3.3Å; V220-L224 WeakPolarHBondContact O-CB 3.39Å; V220-L224 WeakPolarHBondContact O-CG 3.38Å; V220-L224 PolarHBondContact O-N 2.84Å; V220-P450 HydrophobicContact CB-CG 4.2Å; V220-P450 HydrophobicContact CG1-CB 3.77Å; V220-P450 HydrophobicContact CG1-CG 3.69Å
221K96.8Very high96.9Very high29 Ų2934 Ų3413%0.12618%0.18CC..Hα-helixtrans-62.2-47.1175.3-84.2-171.3166.5-163.70112.7L28 I29 A31 R217 N218 L219 A449 P450L28-K221 PolarHBondContact O-NZ 3.37Å; I29-K221 VanDerWaalsContact CA-NZ 3.31Å; I29-K221 PolarHBondContact O-NZ 2.86Å; A31-K221 HydrophobicContact CB-CB 3.48Å; A31-K221 VanDerWaalsContact CB-CB 3.48Å; A31-K221 HydrophobicContact CB-CD 3.94Å; A31-K221 HydrophobicContact CB-CG 4.34Å; R217-K221 WeakPolarHBondContact O-CB 3.48Å; R217-K221 WeakPolarHBondContact O-CG 3.35Å; R217-K221 PolarHBondContact O-N 3.05Å; N218-K221 PolarHBondContact O-N 3.27Å; L219-K221 PolarHBondContact O-N 3.12Å; K221-A449 WeakPolarHBondContact CE-O 3.45Å; K221-P450 VanDerWaalsContact CG-CD 3.46Å; K221-P450 HydrophobicContact CG-CG 4.22Å
222L97.1Very high96.9Very high29 Ų2935.1 Ų35.115%0.15218%0.184CC..Hα-helixtrans-64.8-46178.1-70.6168.2000110.4A31 I33 L198 N218 L219 Q225 A226A31-L222 HydrophobicContact CB-CD2 4.35Å; A31-L222 HydrophobicContact CB-CG 4Å; A31-L222 WeakPolarHBondContact O-CD2 3.19Å; I33-L222 HydrophobicContact CG1-CD1 3.8Å; I33-L222 HydrophobicContact CG1-CD2 4.19Å; L198-L222 HydrophobicContact CD1-CB 4.09Å; L198-L222 HydrophobicContact CD2-CB 4.27Å; N218-L222 WeakPolarHBondContact O-CG 3.36Å; N218-L222 PolarHBondContact O-N 3.16Å; L219-L222 PolarHBondContact O-N 3.27Å; L222-Q225 WeakPolarHBondContact O-CB 3.5Å; L222-Q225 PolarHBondContact O-N 3.13Å; L222-Q225 VanDerWaalsContact O-N 3.12Å; L222-A226 PolarHBondContact O-N 3.1Å
223G97.9Very high97Very high0 Ų036.8 Ų36.80%019%0.192CC..Hα-helixtrans-73.6-28.7-177.500000114.7L198 T202 L219 V220 Q225 A226 I227L198-G223 WeakPolarHBondContact O-CA 3.3Å; T202-G223 VanDerWaalsContact OG1-CA 3.23Å; T202-G223 WeakPolarHBondContact OG1-CA 3.49Å; L219-G223 PolarHBondContact O-N 3.24Å; V220-G223 PolarHBondContact O-N 2.73Å; G223-Q225 PolarHBondContact O-N 3.21Å; G223-A226 CarbonylContact O-C 3.59Å; G223-A226 WeakPolarHBondContact O-CB 3.07Å; G223-A226 PolarHBondContact O-N 2.7Å; G223-A226 VanDerWaalsContact O-N 3.09Å; G223-I227 WeakPolarHBondContact O-CB 3.19Å; G223-I227 WeakPolarHBondContact O-CG1 3.36Å; G223-I227 PolarHBondContact O-N 3.3Å
224L97.8Very high97.1Very high13 Ų1334.5 Ų34.57%0.06818%0.178CC..Hα-helixtrans-61.9-31.3167.4-75.3174.5000112.2T202 V220 I227 K228 V249 I254 P450T202-L224 HydrophobicContact CG2-CD2 4.27Å; T202-L224 HydrophobicContact CG2-CG 4.23Å; V220-L224 HydrophobicContact CG1-CD1 3.91Å; V220-L224 HydrophobicContact CG1-CG 4.13Å; V220-L224 VanDerWaalsContact O-CB 3.3Å; V220-L224 WeakPolarHBondContact O-CB 3.39Å; V220-L224 WeakPolarHBondContact O-CG 3.38Å; V220-L224 PolarHBondContact O-N 2.84Å; L224-I227 HydrophobicContact CD2-CD1 4.45Å; L224-K228 WeakPolarHBondContact O-CG 3.45Å; L224-V249 HydrophobicContact CD2-CG1 4.07Å; L224-I254 HydrophobicContact CD2-CG1 4.3Å; L224-P450 HydrophobicContact CD1-CB 4.35Å
225Q96.2Very high97.3Very high107 Ų10732.5 Ų32.550%0.516%0.158SC..Hα-helixtrans-74.9-37.9171.2-59.5-59.3-43.300111.8L222 G223 K228L222-Q225 WeakPolarHBondContact O-CB 3.5Å; L222-Q225 PolarHBondContact O-N 3.13Å; L222-Q225 VanDerWaalsContact O-N 3.12Å; G223-Q225 PolarHBondContact O-N 3.21Å; Q225-K228 PolarHBondContact O-N 2.8Å
226A97.4Very high97.5Very high29 Ų2934.8 Ų34.824%0.2417%0.17CC..Hα-helixtrans-63.2-44175.600000111.7L198 L222 G223 K228 Q229 T230L198-A226 HydrophobicContact CB-CB 3.88Å; L222-A226 PolarHBondContact O-N 3.1Å; G223-A226 CarbonylContact O-C 3.59Å; G223-A226 WeakPolarHBondContact O-CB 3.07Å; G223-A226 PolarHBondContact O-N 2.7Å; G223-A226 VanDerWaalsContact O-N 3.09Å; A226-K228 VanDerWaalsContact C-N 3.29Å; A226-K228 PolarHBondContact O-N 3.16Å; A226-Q229 CarbonylContact O-C 3.49Å; A226-Q229 VanDerWaalsContact O-C 3.32Å; A226-Q229 WeakPolarHBondContact O-CA 3.33Å; A226-Q229 PolarHBondContact O-N 3.02Å; A226-T230 PolarHBondContact O-N 3.36Å
227I98.3Very high97.5Very high0 Ų036.6 Ų36.60%018%0.178CC..Hα-helixtrans-57.5-41.5178.7-70163.1000111D199 T202 G223 L224 Q229 T230 L235 L239 L246 V249 I254D199-I227 HydrophobicContact CB-CD1 4.37Å; D199-I227 HydrophobicContact CB-CG1 3.47Å; D199-I227 VanDerWaalsContact CB-CG1 3.47Å; T202-I227 HydrophobicContact CG2-CD1 3.8Å; G223-I227 WeakPolarHBondContact O-CB 3.19Å; G223-I227 WeakPolarHBondContact O-CG1 3.36Å; G223-I227 PolarHBondContact O-N 3.3Å; L224-I227 HydrophobicContact CD2-CD1 4.45Å; I227-Q229 PolarHBondContact O-N 3.43Å; I227-T230 WeakPolarHBondContact O-CB 3.45Å; I227-T230 WeakPolarHBondContact O-CG2 3.24Å; I227-T230 PolarHBondContact O-N 3.37Å; I227-T230 VanDerWaalsContact O-N 3.1Å; I227-L235 HydrophobicContact CG1-CD2 4.14Å; I227-L235 HydrophobicContact CG2-CD2 4.17Å; I227-L239 HydrophobicContact CG2-CD1 4.21Å; I227-L246 WeakPolarHBondContact O-CD1 3.39Å; I227-V249 HydrophobicContact CG2-CB 4.36Å; I227-V249 HydrophobicContact CG2-CG1 3.88Å; I227-V249 HydrophobicContact CG2-CG2 4.37Å; I227-I254 HydrophobicContact CD1-CD1 4.03Å; I227-I254 HydrophobicContact CD1-CG1 4.47Å
228K97.7Very high97.6Very high49 Ų4936 Ų3621%0.21318%0.176CC..THydrogen-bonded Turntrans-61.3-17.1177.9-70169.5-175.1175.20113.9L224 Q225 A226 L246 Q247 V249L224-K228 WeakPolarHBondContact O-CG 3.45Å; Q225-K228 PolarHBondContact O-N 2.8Å; A226-K228 VanDerWaalsContact C-N 3.29Å; A226-K228 PolarHBondContact O-N 3.16Å; K228-L246 WeakPolarHBondContact CG-O 3.27Å; K228-Q247 PolarHBondContact O-NE2 2.95Å; K228-Q247 VanDerWaalsContact O-NE2 3.14Å; K228-V249 WeakPolarHBondContact CE-O 3.4Å
229Q97.1Very high97.7Very high145 Ų14535.1 Ų35.168%0.67817%0.171SC*.THydrogen-bonded Turntrans-121.46.8-179.1-59.7179.250.800112.4A226 I227 Q231A226-Q229 CarbonylContact O-C 3.49Å; A226-Q229 VanDerWaalsContact O-C 3.32Å; A226-Q229 WeakPolarHBondContact O-CA 3.33Å; A226-Q229 PolarHBondContact O-N 3.02Å; I227-Q229 PolarHBondContact O-N 3.43Å; Q229-Q231 PolarHBondContact O-NE2 3.47Å; Q229-Q231 VanDerWaalsContact O-NE2 3.14Å
230T97Very high97.7Very high16 Ų1641.1 Ų41.110%0.09820%0.197CC..  trans-60.9146.2-173.3-170.90000111.5D199 A226 I227 R232 L235 L236D199-T230 PolarHBondContact OD2-OG1 2.95Å; A226-T230 PolarHBondContact O-N 3.36Å; I227-T230 WeakPolarHBondContact O-CB 3.45Å; I227-T230 WeakPolarHBondContact O-CG2 3.24Å; I227-T230 PolarHBondContact O-N 3.37Å; I227-T230 VanDerWaalsContact O-N 3.1Å; T230-R232 VanDerWaalsContact OG1-CB 3.24Å; T230-R232 WeakPolarHBondContact OG1-CB 3.41Å; T230-R232 PolarHBondContact OG1-N 2.94Å; T230-R232 VanDerWaalsContact OG1-N 3.09Å; T230-L235 HydrophobicContact CG2-CD2 3.99Å; T230-L235 HydrophobicContact CG2-CG 4.35Å; T230-L236 HydrophobicContact CG2-CD2 3.89Å; T230-L236 HydrophobicContact CG2-CG 4.22Å
231Q96.6Very high97.7Very high159 Ų15943.6 Ų43.674%0.74321%0.21SC*.  trans-106.14.3170.5-57-56.6-59.600111.7Q229 L233Q229-Q231 PolarHBondContact O-NE2 3.47Å; Q229-Q231 VanDerWaalsContact O-NE2 3.14Å; Q231-L233 PolarHBondContact O-N 2.85Å; Q231-L233 VanDerWaalsContact O-N 3.12Å
232R97.9Very high97.6Very high29 Ų2943 Ų4311%0.10921%0.21CC..  trans-69.9105.2-178-172.8173.7-61.4-70.72.1110.3E81 E196 D199 T230 G234 L235 L236 M278E81-R232 IonicContact OE1-CZ 2.89Å; E81-R232 IonicContact OE1-NH1 3.49Å; E81-R232 PolarHBondContact OE1-NH1 3.06Å; E81-R232 IonicContact OE1-NH2 2.93Å; E81-R232 PolarHBondContact OE1-NH2 3.31Å; E81-R232 IonicContact OE2-CZ 3.58Å; E81-R232 IonicContact OE2-NH1 3.52Å; E81-R232 IonicContact OE2-NH2 3.63Å; E81-R232 PolarHBondContact OE2-NH2 2.55Å; E196-R232 PolarHBondContact O-NH2 2.62Å; D199-R232 IonicContact OD1-CZ 3.7Å; D199-R232 IonicContact OD1-NE 3.96Å; D199-R232 PolarHBondContact OD1-NE 3.22Å; D199-R232 VanDerWaalsContact OD1-NE 3.09Å; D199-R232 IonicContact OD1-NH2 3.21Å; D199-R232 IonicContact OD2-NE 3.84Å; D199-R232 PolarHBondContact OD2-NE 3.29Å; T230-R232 VanDerWaalsContact OG1-CB 3.24Å; T230-R232 WeakPolarHBondContact OG1-CB 3.41Å; T230-R232 PolarHBondContact OG1-N 2.94Å; T230-R232 VanDerWaalsContact OG1-N 3.09Å; R232-G234 PolarHBondContact O-N 3.31Å; R232-L235 HydrophobicContact CB-CB 4.16Å; R232-L235 HydrophobicContact CG-CB 4.13Å; R232-L235 PolarHBondContact O-N 3.47Å; R232-L235 VanDerWaalsContact O-N 3.14Å; R232-L236 WeakPolarHBondContact O-CG 3.25Å; R232-L236 PolarHBondContact O-N 2.82Å; R232-M278 WeakPolarHBondContact CD-O 3.49Å; R232-M278 WeakPolarHBondContact CG-O 3.35Å; R232-M278 PolarHBondContact NH1-O 3.29Å
233L98.5Very high97.6Very high39 Ų3947 Ų4720%0.20424%0.24CC..Hα-helixtrans-56.6-45.3-170.6-61.9-178.4000112.8Q231 L235 L236 E237 F281 E283 A286Q231-L233 PolarHBondContact O-N 2.85Å; Q231-L233 VanDerWaalsContact O-N 3.12Å; L233-L235 VanDerWaalsContact C-N 3.34Å; L233-L235 PolarHBondContact O-N 3.03Å; L233-L236 PolarHBondContact O-N 3.4Å; L233-E237 PolarHBondContact O-N 3.09Å; L233-F281 WeakPolarHBondContact CD1-O 3.15Å; L233-E283 HydrophobicContact CD1-CG 3.89Å; L233-E283 HydrophobicContact CD2-CG 4.2Å; L233-A286 HydrophobicContact CB-CB 3.78Å
234G98.4Very high97.5Very high0 Ų048.1 Ų48.10%025%0.247CC..Hα-helixtrans-62.9-38.7179.300000113.8R232 E237 L238 L277R232-G234 PolarHBondContact O-N 3.31Å; G234-E237 PolarHBondContact O-N 2.9Å; G234-L238 WeakPolarHBondContact O-CB 3.46Å; G234-L238 WeakPolarHBondContact O-CG 3.43Å; G234-L238 PolarHBondContact O-N 3.42Å; G234-L277 VanDerWaalsContact CA-O 3.26Å; G234-L277 WeakPolarHBondContact CA-O 3.33Å
235L98.4Very high97.4Very high0 Ų051.5 Ų51.50%027%0.265CS..Hα-helixtrans-67.3-41.8175.8-179.854.7000111.3D199 I203 I227 T230 R232 L233 E237 L238 L239 V258 M278D199-L235 HydrophobicContact CB-CD2 4.02Å; I203-L235 HydrophobicContact CD1-CD1 3.79Å; I203-L235 HydrophobicContact CD1-CD2 3.97Å; I203-L235 HydrophobicContact CD1-CG 4.49Å; I227-L235 HydrophobicContact CG1-CD2 4.14Å; I227-L235 HydrophobicContact CG2-CD2 4.17Å; T230-L235 HydrophobicContact CG2-CD2 3.99Å; T230-L235 HydrophobicContact CG2-CG 4.35Å; R232-L235 HydrophobicContact CB-CB 4.16Å; R232-L235 HydrophobicContact CG-CB 4.13Å; R232-L235 PolarHBondContact O-N 3.47Å; R232-L235 VanDerWaalsContact O-N 3.14Å; L233-L235 VanDerWaalsContact C-N 3.34Å; L233-L235 PolarHBondContact O-N 3.03Å; L235-E237 PolarHBondContact O-N 3.3Å; L235-L238 PolarHBondContact O-N 2.88Å; L235-L239 HydrophobicContact CD1-CD1 4.21Å; L235-L239 HydrophobicContact CD1-CG 4.12Å; L235-L239 HydrophobicContact CG-CD1 4.15Å; L235-L239 VanDerWaalsContact O-CG 3.3Å; L235-L239 WeakPolarHBondContact O-CG 3.42Å; L235-L239 PolarHBondContact O-N 3.14Å; L235-V258 HydrophobicContact CD1-CG1 4.3Å; L235-V258 HydrophobicContact CD1-CG2 4.47Å; L235-M278 HydrophobicContact CB-CE 4.33Å
236L98.6Very high97.4Very high51 Ų5148.7 Ų48.727%0.26725%0.253SS..Hα-helixtrans-59.8-44.7175.7-67.9173.2000111.7T230 R232 L233 L239 K240 L246T230-L236 HydrophobicContact CG2-CD2 3.89Å; T230-L236 HydrophobicContact CG2-CG 4.22Å; R232-L236 WeakPolarHBondContact O-CG 3.25Å; R232-L236 PolarHBondContact O-N 2.82Å; L233-L236 PolarHBondContact O-N 3.4Å; L236-L239 PolarHBondContact O-N 3.45Å; L236-K240 WeakPolarHBondContact O-CB 3.34Å; L236-K240 PolarHBondContact O-N 3.06Å; L236-L246 HydrophobicContact CD2-CD1 4.22Å; L236-L246 HydrophobicContact CD2-CD2 4.02Å
237E98.4Very high97.3Very high38 Ų3853 Ų5318%0.17827%0.269CS..Hα-helixtrans-68.5-36.9176.8-73.7-63.5129.200112.3L233 G234 L235 K240 I241 A286 H287 A290L233-E237 PolarHBondContact O-N 3.09Å; G234-E237 PolarHBondContact O-N 2.9Å; L235-E237 PolarHBondContact O-N 3.3Å; E237-K240 VanDerWaalsContact CD-NZ 3.33Å; E237-K240 PolarHBondContact O-N 3.29Å; E237-K240 IonicContact OE1-NZ 3.89Å; E237-K240 PolarHBondContact OE1-NZ 3.22Å; E237-K240 IonicContact OE2-NZ 3.52Å; E237-K240 PolarHBondContact OE2-NZ 3.19Å; E237-I241 WeakPolarHBondContact O-CB 3.38Å; E237-I241 WeakPolarHBondContact O-CG2 3.14Å; E237-I241 PolarHBondContact O-N 3.01Å; E237-A286 HydrophobicContact CG-CB 4.47Å; E237-H287 HydrophobicContact CG-CB 4.4Å; E237-H287 IonicContact OE2-CE1 3.96Å; E237-H287 IonicContact OE2-CG 2.67Å; E237-H287 IonicContact OE2-ND1 3.24Å; E237-H287 PolarHBondContact OE2-ND1 3.19Å; E237-A290 HydrophobicContact CB-CB 3.66Å
238L98.2Very high97.1Very high0 Ų058.6 Ų58.60%029%0.293CS..Hα-helixtrans-63.3-41.9173.6-78.4177.7000112.8G234 L235 I241 S242 V258 R261 L262 L277 M278 A290G234-L238 WeakPolarHBondContact O-CB 3.46Å; G234-L238 WeakPolarHBondContact O-CG 3.43Å; G234-L238 PolarHBondContact O-N 3.42Å; L235-L238 PolarHBondContact O-N 2.88Å; L238-I241 WeakPolarHBondContact O-CG2 3.46Å; L238-S242 VanDerWaalsContact O-CB 3.25Å; L238-S242 WeakPolarHBondContact O-CB 3.36Å; L238-S242 PolarHBondContact O-N 3.38Å; L238-S242 PolarHBondContact O-OG 3.35Å; L238-V258 HydrophobicContact CD1-CG1 4.34Å; L238-R261 HydrophobicContact CD2-CB 4.34Å; L238-L262 HydrophobicContact CD1-CD2 4.19Å; L238-L277 HydrophobicContact CD1-CD2 3.77Å; L238-L277 HydrophobicContact CD2-CD2 4.04Å; L238-L277 HydrophobicContact CG-CD2 3.87Å; L238-M278 HydrophobicContact CD1-SD 4.2Å; L238-A290 HydrophobicContact CD2-CB 4.31Å
239L98.3Very high97.1Very high4 Ų456.3 Ų56.32%0.02128%0.283CS..Hα-helixtrans-65.6-43.2176.7-70.1171.4000111.1I227 L235 L236 S242 S243 V244 L246 V249 V258I227-L239 HydrophobicContact CG2-CD1 4.21Å; L235-L239 HydrophobicContact CD1-CD1 4.21Å; L235-L239 HydrophobicContact CD1-CG 4.12Å; L235-L239 HydrophobicContact CG-CD1 4.15Å; L235-L239 VanDerWaalsContact O-CG 3.3Å; L235-L239 WeakPolarHBondContact O-CG 3.42Å; L235-L239 PolarHBondContact O-N 3.14Å; L236-L239 PolarHBondContact O-N 3.45Å; L239-S242 WeakPolarHBondContact CA-OG 3.47Å; L239-S242 PolarHBondContact O-N 2.84Å; L239-S242 PolarHBondContact O-OG 2.73Å; L239-S243 PolarHBondContact O-N 2.79Å; L239-V244 HydrophobicContact CD2-CB 3.96Å; L239-V244 HydrophobicContact CD2-CG1 3.75Å; L239-V244 PolarHBondContact O-N 3.17Å; L239-L246 HydrophobicContact CD1-CD1 3.57Å; L239-V249 HydrophobicContact CD1-CG2 4.16Å; L239-V249 HydrophobicContact CD2-CG2 3.88Å; L239-V258 HydrophobicContact CD2-CG2 3.87Å
240K98Very high97.1Very high126 Ų12652.2 Ų52.255%0.54827%0.266SS..Hα-helixtrans-62.1-50.2176.8177.9-172.3171-158.60112.4L236 E237 S242 S243L236-K240 WeakPolarHBondContact O-CB 3.34Å; L236-K240 PolarHBondContact O-N 3.06Å; E237-K240 VanDerWaalsContact CD-NZ 3.33Å; E237-K240 PolarHBondContact O-N 3.29Å; E237-K240 IonicContact OE1-NZ 3.89Å; E237-K240 PolarHBondContact OE1-NZ 3.22Å; E237-K240 IonicContact OE2-NZ 3.52Å; E237-K240 PolarHBondContact OE2-NZ 3.19Å; K240-S242 VanDerWaalsContact C-N 3.25Å; K240-S242 PolarHBondContact O-N 3.18Å; K240-S243 PolarHBondContact O-N 3.36Å
241I97.3Very high97.1Very high52 Ų5252.5 Ų52.527%0.26727%0.266SS..Hα-helixtrans-67.7-28.3-179.3-159.5161.5000112.1E237 L238 S243 E291 N294E237-I241 WeakPolarHBondContact O-CB 3.38Å; E237-I241 WeakPolarHBondContact O-CG2 3.14Å; E237-I241 PolarHBondContact O-N 3.01Å; L238-I241 WeakPolarHBondContact O-CG2 3.46Å; I241-S243 VanDerWaalsContact C-N 3.26Å; I241-S243 PolarHBondContact O-N 3.24Å; I241-E291 HydrophobicContact CD1-CB 4.4Å; I241-E291 HydrophobicContact CD1-CG 3.97Å; I241-N294 HydrophobicContact CD1-CB 3.5Å; I241-N294 VanDerWaalsContact CD1-CB 3.5Å; I241-N294 HydrophobicContact CG1-CB 4Å; I241-N294 HydrophobicContact CG2-CB 4.27Å
242S95.6Very high97.1Very high17 Ų1748.3 Ų48.312%0.11925%0.251CS..THydrogen-bonded Turntrans-82.3117462.70000114.2L238 L239 K240 V244 R261L238-S242 VanDerWaalsContact O-CB 3.25Å; L238-S242 WeakPolarHBondContact O-CB 3.36Å; L238-S242 PolarHBondContact O-N 3.38Å; L238-S242 PolarHBondContact O-OG 3.35Å; L239-S242 WeakPolarHBondContact CA-OG 3.47Å; L239-S242 PolarHBondContact O-N 2.84Å; L239-S242 PolarHBondContact O-OG 2.73Å; K240-S242 VanDerWaalsContact C-N 3.25Å; K240-S242 PolarHBondContact O-N 3.18Å; S242-V244 PolarHBondContact O-N 2.95Å; S242-V244 WeakPolarHBondContact OG-CG2 3.29Å; S242-R261 VanDerWaalsContact CB-NH1 3.31Å
243S95.9Very high97Very high112 Ų11247.8 Ų47.878%0.78325%0.252SS*.THydrogen-bonded Turntrans57.329.7-176.9-55.60000113.6L239 K240 I241L239-S243 PolarHBondContact O-N 2.79Å; K240-S243 PolarHBondContact O-N 3.36Å; I241-S243 VanDerWaalsContact C-N 3.26Å; I241-S243 PolarHBondContact O-N 3.24Å
244V96.3Very high97Very high25 Ų2546 Ų4615%0.15224%0.242CC..  trans-88.6125.3174.9175.60000108.9L239 S242 L246 V249L239-V244 HydrophobicContact CD2-CB 3.96Å; L239-V244 HydrophobicContact CD2-CG1 3.75Å; L239-V244 PolarHBondContact O-N 3.17Å; S242-V244 PolarHBondContact O-N 2.95Å; S242-V244 WeakPolarHBondContact OG-CG2 3.29Å; V244-L246 PolarHBondContact O-N 3.16Å; V244-V249 HydrophobicContact CG1-CG2 3.75Å
245D94.7Very high96.9Very high83 Ų8347 Ų4744%0.44425%0.253SS..  trans-71.1115.7173.2179.1-9.8000109.6Q247 K248 V249D245-Q247 PolarHBondContact O-N 3.03Å; D245-Q247 VanDerWaalsContact O-N 3.09Å; D245-Q247 PolarHBondContact OD1-N 3.31Å; D245-K248 HydrophobicContact CB-CB 4.16Å; D245-K248 HydrophobicContact CB-CD 4.4Å; D245-K248 HydrophobicContact CB-CG 4.22Å; D245-K248 CarbonylContact O-C 3.6Å; D245-K248 WeakPolarHBondContact O-CA 3.25Å; D245-K248 PolarHBondContact O-N 2.72Å; D245-K248 WeakPolarHBondContact OD2-CE 3.36Å; D245-V249 PolarHBondContact O-N 3.47Å
246L96.8Very high96.8Very high48 Ų4854.6 Ų54.625%0.25129%0.287SS..G310 helixtrans-48.2-39179.4-178.664.1000112.7I227 K228 L236 L239 V244 K248 V249I227-L246 WeakPolarHBondContact O-CD1 3.39Å; K228-L246 WeakPolarHBondContact CG-O 3.27Å; L236-L246 HydrophobicContact CD2-CD1 4.22Å; L236-L246 HydrophobicContact CD2-CD2 4.02Å; L239-L246 HydrophobicContact CD1-CD1 3.57Å; V244-L246 PolarHBondContact O-N 3.16Å; L246-K248 VanDerWaalsContact C-N 3.28Å; L246-K248 PolarHBondContact O-N 3.23Å; L246-V249 WeakPolarHBondContact O-CG2 3.44Å
247Q96Very high96.7Very high121 Ų12153.5 Ų53.557%0.56528%0.283SS*.G310 helixtrans-79.4-12.5-176.9-62.8-56.2-56.900113.4K228 D245K228-Q247 PolarHBondContact O-NE2 2.95Å; K228-Q247 VanDerWaalsContact O-NE2 3.14Å; D245-Q247 PolarHBondContact O-N 3.03Å; D245-Q247 VanDerWaalsContact O-N 3.09Å; D245-Q247 PolarHBondContact OD1-N 3.31Å
248K93.7Very high96.7Very high116 Ų11651.7 Ų51.750%0.50428%0.275SS..G310 helixtrans-109.87.1179.1-58.7-171.7-174-167.10113.3D245 L246 D250 E519D245-K248 HydrophobicContact CB-CB 4.16Å; D245-K248 HydrophobicContact CB-CD 4.4Å; D245-K248 HydrophobicContact CB-CG 4.22Å; D245-K248 CarbonylContact O-C 3.6Å; D245-K248 WeakPolarHBondContact O-CA 3.25Å; D245-K248 PolarHBondContact O-N 2.72Å; D245-K248 WeakPolarHBondContact OD2-CE 3.36Å; L246-K248 VanDerWaalsContact C-N 3.28Å; L246-K248 PolarHBondContact O-N 3.23Å; K248-D250 PolarHBondContact O-N 3.47Å; K248-E519 IonicContact NZ-OE2 3.82Å; K248-E519 PolarHBondContact NZ-OE2 3.2Å
249V97.4Very high96.7Very high2 Ų251.8 Ų51.81%0.01228%0.275CS..  trans-55.9133.7176.9175.10000111L224 I227 K228 L239 V244 D245 L246 I254L224-V249 HydrophobicContact CD2-CG1 4.07Å; I227-V249 HydrophobicContact CG2-CB 4.36Å; I227-V249 HydrophobicContact CG2-CG1 3.88Å; I227-V249 HydrophobicContact CG2-CG2 4.37Å; K228-V249 WeakPolarHBondContact CE-O 3.4Å; L239-V249 HydrophobicContact CD1-CG2 4.16Å; L239-V249 HydrophobicContact CD2-CG2 3.88Å; V244-V249 HydrophobicContact CG1-CG2 3.75Å; D245-V249 PolarHBondContact O-N 3.47Å; L246-V249 WeakPolarHBondContact O-CG2 3.44Å; V249-I254 HydrophobicContact CG1-CD1 3.94Å; V249-I254 HydrophobicContact CG1-CG1 4.28Å
250D96.7Very high96.6Very high59 Ų5952.9 Ų52.932%0.31628%0.283SS..  trans-143.6-179.5177.962.38000110K248 T252 S253 I254K248-D250 PolarHBondContact O-N 3.47Å; D250-T252 PolarHBondContact O-N 3.25Å; D250-T252 WeakPolarHBondContact OD1-CB 2.85Å; D250-T252 PolarHBondContact OD1-N 3.04Å; D250-S253 PolarHBondContact N-OG 2.97Å; D250-S253 WeakPolarHBondContact O-CB 3.37Å; D250-S253 PolarHBondContact O-N 2.9Å; D250-S253 VanDerWaalsContact O-N 3.17Å; D250-S253 WeakPolarHBondContact OD1-CB 3.43Å; D250-S253 PolarHBondContact OD1-N 3.47Å; D250-S253 PolarHBondContact OD1-OG 3.32Å; D250-I254 PolarHBondContact O-N 3.19Å
251E97.5Very high96.6Very high21 Ų2147.9 Ų47.910%0.09826%0.261CS..Hα-helixtrans-57-32.8177.465.2-83.7-163.100113V206 I254 G255 P450 F451V206-E251 WeakPolarHBondContact CG1-O 3.41Å; E251-I254 PolarHBondContact O-N 3.28Å; E251-G255 PolarHBondContact O-N 3.35Å; E251-P450 HydrophobicContact CB-CB 4.06Å; E251-P450 HydrophobicContact CG-CB 4.25Å; E251-F451 WeakPolarHBondContact CG-O 3.24Å; E251-F451 VanDerWaalsContact OE1-CD2 3.26Å; E251-F451 WeakPolarHBondContact OE1-CD2 3.3Å; E251-F451 PolarHBondContact OE1-N 2.8Å
252T95.9Very high96.7Very high72 Ų7245.4 Ų45.444%0.44225%0.248SC..Hα-helixtrans-69.7-42.1179.5-63.90000110D250 I254 G255 F256D250-T252 PolarHBondContact O-N 3.25Å; D250-T252 WeakPolarHBondContact OD1-CB 2.85Å; D250-T252 PolarHBondContact OD1-N 3.04Å; T252-I254 VanDerWaalsContact C-N 3.28Å; T252-I254 PolarHBondContact O-N 2.83Å; T252-G255 PolarHBondContact O-N 3.46Å; T252-F256 HydrophobicContact CG2-CD2 3.61Å; T252-F256 HydrophobicContact CG2-CE2 4.15Å; T252-F256 WeakPolarHBondContact O-CB 3.4Å; T252-F256 WeakPolarHBondContact O-CD2 3.43Å; T252-F256 PolarHBondContact O-N 3.47Å
253S97.1Very high96.8Very high18 Ų1846 Ų4613%0.12625%0.25CC..Hα-helixtrans-57.7-43.5174.8-55.90000111D250 S257 V258D250-S253 PolarHBondContact N-OG 2.97Å; D250-S253 WeakPolarHBondContact O-CB 3.37Å; D250-S253 PolarHBondContact O-N 2.9Å; D250-S253 VanDerWaalsContact O-N 3.17Å; D250-S253 WeakPolarHBondContact OD1-CB 3.43Å; D250-S253 PolarHBondContact OD1-N 3.47Å; D250-S253 PolarHBondContact OD1-OG 3.32Å; S253-S257 WeakPolarHBondContact O-CA 3.4Å; S253-S257 WeakPolarHBondContact O-CB 3.22Å; S253-S257 PolarHBondContact O-N 3.17Å; S253-V258 PolarHBondContact O-N 3.01Å
254I98.3Very high96.9Very high0 Ų040.7 Ų40.70%021%0.212CC..Iπ-helixtrans-69.5-55.4177.9-57.9-53.5000111I203 V206 L224 I227 V249 D250 E251 T252 F256 V258 G259I203-I254 HydrophobicContact CB-CG2 4.37Å; I203-I254 HydrophobicContact CG1-CD1 4.31Å; I203-I254 HydrophobicContact CG1-CG2 4.18Å; I203-I254 HydrophobicContact CG2-CG2 4.46Å; V206-I254 HydrophobicContact CB-CB 4.26Å; V206-I254 HydrophobicContact CB-CG2 3.72Å; V206-I254 HydrophobicContact CG1-CB 3.91Å; V206-I254 HydrophobicContact CG1-CG2 3.79Å; V206-I254 HydrophobicContact CG2-CG2 4.39Å; L224-I254 HydrophobicContact CD2-CG1 4.3Å; I227-I254 HydrophobicContact CD1-CD1 4.03Å; I227-I254 HydrophobicContact CD1-CG1 4.47Å; V249-I254 HydrophobicContact CG1-CD1 3.94Å; V249-I254 HydrophobicContact CG1-CG1 4.28Å; D250-I254 PolarHBondContact O-N 3.19Å; E251-I254 PolarHBondContact O-N 3.28Å; T252-I254 VanDerWaalsContact C-N 3.28Å; T252-I254 PolarHBondContact O-N 2.83Å; I254-F256 VanDerWaalsContact C-N 3.35Å; I254-F256 PolarHBondContact O-N 3.37Å; I254-V258 HydrophobicContact CD1-CB 4.43Å; I254-V258 HydrophobicContact CD1-CG2 4.07Å; I254-V258 PolarHBondContact O-N 3.49Å; I254-G259 PolarHBondContact O-N 3.41Å
255G96.8Very high96.9Very high22 Ų2239.5 Ų39.523%0.22721%0.205CC..Iπ-helixtrans-66-29.8-174.500000114.7E251 T252 P260E251-G255 PolarHBondContact O-N 3.35Å; T252-G255 PolarHBondContact O-N 3.46Å; G255-P260 VanDerWaalsContact O-CD 3.29Å; G255-P260 WeakPolarHBondContact O-CD 3.44Å; G255-P260 WeakPolarHBondContact O-CG 3.19Å
256F95.2Very high96.9Very high160 Ų16035.6 Ų35.670%0.70219%0.185SC*.Iπ-helixtrans-109.3-14.8-176.5-65.8-81.4000114.9T252 I254T252-F256 HydrophobicContact CG2-CD2 3.61Å; T252-F256 HydrophobicContact CG2-CE2 4.15Å; T252-F256 WeakPolarHBondContact O-CB 3.4Å; T252-F256 WeakPolarHBondContact O-CD2 3.43Å; T252-F256 PolarHBondContact O-N 3.47Å; I254-F256 VanDerWaalsContact C-N 3.35Å; I254-F256 PolarHBondContact O-N 3.37Å
257S97Very high96.7Very high28 Ų2835.9 Ų35.920%0.19618%0.182CC..Iπ-helixtrans-117.6-48.4-179.5-54.10000113.9S253 R261S253-S257 WeakPolarHBondContact O-CA 3.4Å; S253-S257 WeakPolarHBondContact O-CB 3.22Å; S253-S257 PolarHBondContact O-N 3.17Å; S257-R261 PolarHBondContact O-NH1 2.85Å
258V98.3Very high96.7Very high0 Ų031.7 Ų31.70%016%0.164CC..Iπ-helixtrans-82.8-57.2-176.8-179.70000110.9I203 L235 L238 L239 S253 I254 R261 L262I203-V258 HydrophobicContact CD1-CG1 4.36Å; I203-V258 HydrophobicContact CG1-CG1 4.48Å; I203-V258 HydrophobicContact CG2-CG1 4.18Å; L235-V258 HydrophobicContact CD1-CG1 4.3Å; L235-V258 HydrophobicContact CD1-CG2 4.47Å; L238-V258 HydrophobicContact CD1-CG1 4.34Å; L239-V258 HydrophobicContact CD2-CG2 3.87Å; S253-V258 PolarHBondContact O-N 3.01Å; I254-V258 HydrophobicContact CD1-CB 4.43Å; I254-V258 HydrophobicContact CD1-CG2 4.07Å; I254-V258 PolarHBondContact O-N 3.49Å; V258-R261 PolarHBondContact O-N 3.09Å; V258-L262 HydrophobicContact CG1-CD1 4.16Å; V258-L262 PolarHBondContact O-N 3.46Å
259G97.8Very high96.6Very high1 Ų127.2 Ų27.21%0.0115%0.15CC..Hα-helixtrans-51-46.7-179.400000113.2I254 R261 L262 N263I254-G259 PolarHBondContact O-N 3.41Å; G259-R261 VanDerWaalsContact C-N 3.27Å; G259-R261 PolarHBondContact O-N 3.28Å; G259-L262 PolarHBondContact O-N 3.16Å; G259-N263 VanDerWaalsContact O-CB 3.29Å; G259-N263 WeakPolarHBondContact O-CB 3.36Å; G259-N263 VanDerWaalsContact O-CG 3.31Å; G259-N263 PolarHBondContact O-N 3Å; G259-N263 PolarHBondContact O-ND2 2.92Å
260P97.6Very high96.5Very high27 Ų2731 Ų3118%0.17517%0.171CC..Hα-helixtrans-62-28.5178.3-29.539.3000114.8G255 A264 N297 R300G255-P260 VanDerWaalsContact O-CD 3.29Å; G255-P260 WeakPolarHBondContact O-CD 3.44Å; G255-P260 WeakPolarHBondContact O-CG 3.19Å; P260-A264 VanDerWaalsContact O-CB 3.28Å; P260-A264 WeakPolarHBondContact O-CB 3.29Å; P260-A264 PolarHBondContact O-N 3.37Å; P260-N297 PolarHBondContact O-OD1 2.94Å; P260-R300 PolarHBondContact O-NH1 3.45Å
261R97.8Very high96.5Very high22 Ų2228.2 Ų28.28%0.08316%0.156CC..Hα-helixtrans-76.3-42177.6-74.7174.7172.480.8-2.2111.6L238 S242 S257 V258 G259 A264 N294 N297L238-R261 HydrophobicContact CD2-CB 4.34Å; S242-R261 VanDerWaalsContact CB-NH1 3.31Å; S257-R261 PolarHBondContact O-NH1 2.85Å; V258-R261 PolarHBondContact O-N 3.09Å; G259-R261 VanDerWaalsContact C-N 3.27Å; G259-R261 PolarHBondContact O-N 3.28Å; R261-A264 PolarHBondContact O-N 3.29Å; R261-N294 VanDerWaalsContact CZ-OD1 3.29Å; R261-N294 PolarHBondContact NE-OD1 3.12Å; R261-N294 PolarHBondContact NH2-OD1 3.33Å; R261-N297 HydrophobicContact CB-CB 4.48Å; R261-N297 HydrophobicContact CG-CB 3.84Å
262L98.2Very high96.5Very high0 Ų028.7 Ų28.70%016%0.159CC..Hα-helixtrans-62.1-48.5172.1-63.9175.4000110.4A70 I73 I203 L238 V258 G259 A264 I265 A274 M278 L293A70-L262 HydrophobicContact CB-CB 3.84Å; A70-L262 HydrophobicContact CB-CD1 4.15Å; I73-L262 HydrophobicContact CD1-CB 4.16Å; I73-L262 HydrophobicContact CG2-CD2 4.43Å; I203-L262 HydrophobicContact CG2-CD1 3.62Å; L238-L262 HydrophobicContact CD1-CD2 4.19Å; V258-L262 HydrophobicContact CG1-CD1 4.16Å; V258-L262 PolarHBondContact O-N 3.46Å; G259-L262 PolarHBondContact O-N 3.16Å; L262-A264 PolarHBondContact O-N 2.84Å; L262-I265 WeakPolarHBondContact O-CG2 3.46Å; L262-I265 PolarHBondContact O-N 3.37Å; L262-A274 HydrophobicContact CD2-CB 4.24Å; L262-M278 HydrophobicContact CD2-CG 4.43Å; L262-M278 HydrophobicContact CD2-SD 4.4Å; L262-L293 HydrophobicContact CD2-CD2 3.88Å
263N97.6Very high96.7Very high29 Ų2925.9 Ų25.916%0.15514%0.142CC..Hα-helixtrans-64.5-25.2177.7-74.3-21.6000113.8D69 A70 G259 R267D69-N263 WeakPolarHBondContact CB-OD1 3.35Å; A70-N263 VanDerWaalsContact CB-OD1 3.29Å; A70-N263 WeakPolarHBondContact CB-OD1 3.42Å; A70-N263 PolarHBondContact N-OD1 2.98Å; G259-N263 VanDerWaalsContact O-CB 3.29Å; G259-N263 WeakPolarHBondContact O-CB 3.36Å; G259-N263 VanDerWaalsContact O-CG 3.31Å; G259-N263 PolarHBondContact O-N 3Å; G259-N263 PolarHBondContact O-ND2 2.92Å; N263-R267 WeakPolarHBondContact O-CD 3.41Å; N263-R267 WeakPolarHBondContact O-CG 3.3Å; N263-R267 PolarHBondContact O-N 2.93Å
264A97.5Very high96.7Very high0 Ų025 Ų250%014%0.136CC..Hα-helixtrans-68.3-36.7-179.100000112.2P260 R261 L262 R267 L268 I296 N297 R300P260-A264 VanDerWaalsContact O-CB 3.28Å; P260-A264 WeakPolarHBondContact O-CB 3.29Å; P260-A264 PolarHBondContact O-N 3.37Å; R261-A264 PolarHBondContact O-N 3.29Å; L262-A264 PolarHBondContact O-N 2.84Å; A264-R267 PolarHBondContact O-N 3.43Å; A264-L268 PolarHBondContact O-N 2.93Å; A264-L268 VanDerWaalsContact O-N 3.17Å; A264-I296 HydrophobicContact CB-CG2 4.16Å; A264-N297 HydrophobicContact CB-CB 3.79Å; A264-R300 HydrophobicContact CB-CB 4.31Å
265I97Very high96.7Very high1 Ų125 Ų251%0.00514%0.136CC..Hα-helixtrans-67.8-43.4-177-166.1167000112.3I73 L262 R267 L268 G269 D270 P273 A274 L293 I296I73-I265 HydrophobicContact CD1-CG2 4.33Å; L262-I265 WeakPolarHBondContact O-CG2 3.46Å; L262-I265 PolarHBondContact O-N 3.37Å; I265-R267 PolarHBondContact O-N 3.09Å; I265-L268 PolarHBondContact O-N 2.88Å; I265-G269 CarbonylContact O-C 3.52Å; I265-G269 PolarHBondContact O-N 3.34Å; I265-D270 WeakPolarHBondContact CD1-O 3.43Å; I265-D270 WeakPolarHBondContact CG1-O 3.29Å; I265-P273 HydrophobicContact CD1-CB 4.06Å; I265-P273 HydrophobicContact CD1-CG 4.21Å; I265-A274 HydrophobicContact CG2-CB 3.77Å; I265-L293 HydrophobicContact CB-CG 4.4Å; I265-L293 HydrophobicContact CD1-CD1 3.74Å; I265-L293 HydrophobicContact CD1-CG 4.25Å; I265-I296 HydrophobicContact CB-CD1 4.49Å; I265-I296 HydrophobicContact CD1-CD1 4.1Å; I265-I296 HydrophobicContact CG1-CD1 3.95Å
266G93.8Very high96.8Very high1 Ų127.8 Ų27.81%0.0114%0.143CC..Hα-helixtrans-69-14.417400000114.4Y68Y68-G266 WeakPolarHBondContact O-CA 3.37Å
267R94.2Very high97Very high54 Ų5420.1 Ų20.120%0.20411%0.109CC..Hα-helixtrans-88.3-24.8174.5-73.8175.3-171.4-75-3.1113.8F98 N263 A264 I265 G332F98-R267 WeakPolarHBondContact CZ-O 3.39Å; N263-R267 WeakPolarHBondContact O-CD 3.41Å; N263-R267 WeakPolarHBondContact O-CG 3.3Å; N263-R267 PolarHBondContact O-N 2.93Å; A264-R267 PolarHBondContact O-N 3.43Å; I265-R267 PolarHBondContact O-N 3.09Å; R267-G332 WeakPolarHBondContact CG-O 3.41Å; R267-G332 PolarHBondContact NH1-O 2.94Å; R267-G332 VanDerWaalsContact NH1-O 3.09Å
268L95.3Very high97Very high33 Ų3318.8 Ų18.817%0.17310%0.1CC..Hα-helixtrans-120.4-12.3-172.3-64.3-169.9000114.2A264 I265 I296 E299 R300 I303 N330 V333A264-L268 PolarHBondContact O-N 2.93Å; A264-L268 VanDerWaalsContact O-N 3.17Å; I265-L268 PolarHBondContact O-N 2.88Å; L268-I296 HydrophobicContact CB-CG2 3.94Å; L268-I296 HydrophobicContact CD1-CG2 3.85Å; L268-I296 WeakPolarHBondContact CD1-O 3.43Å; L268-I296 HydrophobicContact CG-CG2 4.26Å; L268-E299 HydrophobicContact CD1-CB 4.2Å; L268-E299 HydrophobicContact CD1-CG 4.06Å; L268-R300 HydrophobicContact CD1-CB 3.67Å; L268-R300 HydrophobicContact CD1-CG 4.44Å; L268-R300 HydrophobicContact CG-CB 4.21Å; L268-R300 HydrophobicContact CG-CG 4.49Å; L268-I303 HydrophobicContact CD1-CD1 4.26Å; L268-I303 HydrophobicContact CD2-CD1 3.97Å; L268-N330 WeakPolarHBondContact CD2-ND2 3.47Å; L268-V333 HydrophobicContact CD2-CG1 4.27Å
269G92.6Very high97Very high22 Ų2219.7 Ų19.723%0.22711%0.105CC..SBendtrans-170.4-145.5-176.900000114.4N96 I265 P271N96-G269 PolarHBondContact ND2-O 3.25Å; I265-G269 CarbonylContact O-C 3.52Å; I265-G269 PolarHBondContact O-N 3.34Å; G269-P271 WeakPolarHBondContact O-CD 3.24Å
270D95.4Very high97Very high82 Ų8220.8 Ų20.844%0.43911%0.112SC..  trans-77.1118.1177.917422.3000110.9I265 N272 P273I265-D270 WeakPolarHBondContact CD1-O 3.43Å; I265-D270 WeakPolarHBondContact CG1-O 3.29Å; D270-N272 PolarHBondContact OD1-N 2.93Å; D270-N272 PolarHBondContact OD1-ND2 2.96Å; D270-P273 VanDerWaalsContact O-CD 3.25Å; D270-P273 WeakPolarHBondContact O-CD 3.35Å
271P96.4Very high97Very high0 Ų028 Ų280%014%0.141CC..  trans-77.7-19.2-177.433.1-39.2000114.7L94 G269 P273 A274L94-P271 HydrophobicContact CB-CB 4.17Å; L94-P271 HydrophobicContact CB-CG 3.53Å; L94-P271 HydrophobicContact CD2-CB 3.99Å; L94-P271 HydrophobicContact CD2-CG 4.28Å; G269-P271 WeakPolarHBondContact O-CD 3.24Å; P271-P273 VanDerWaalsContact C-N 3.34Å; P271-A274 VanDerWaalsContact O-CB 3.3Å; P271-A274 WeakPolarHBondContact O-CB 3.33Å; P271-A274 PolarHBondContact O-N 3.16Å
272N97.9Very high97Very high31 Ų3130.4 Ų30.417%0.16616%0.155CC..Hα-helixtrans-54.9-35.1-173.1-70.8-86.4000115.4Y92 L94 D270 A274 V275 E276Y92-N272 HydrophobicContact CE2-CB 4.44Å; L94-N272 PolarHBondContact N-OD1 2.71Å; L94-N272 PolarHBondContact O-ND2 3.46Å; D270-N272 PolarHBondContact OD1-N 2.93Å; D270-N272 PolarHBondContact OD1-ND2 2.96Å; N272-A274 PolarHBondContact O-N 3.14Å; N272-A274 VanDerWaalsContact O-N 3.12Å; N272-V275 PolarHBondContact O-N 3.46Å; N272-V275 VanDerWaalsContact O-N 3.1Å; N272-E276 PolarHBondContact O-N 3.04Å
273P98.1Very high97Very high12 Ų1237.6 Ų37.68%0.07819%0.189CC..Hα-helixtrans-61.4-18.6175.5-23.834.6000114.1I265 D270 P271 L277 L289I265-P273 HydrophobicContact CD1-CB 4.06Å; I265-P273 HydrophobicContact CD1-CG 4.21Å; D270-P273 VanDerWaalsContact O-CD 3.25Å; D270-P273 WeakPolarHBondContact O-CD 3.35Å; P271-P273 VanDerWaalsContact C-N 3.34Å; P273-L277 WeakPolarHBondContact O-CB 3.24Å; P273-L277 PolarHBondContact O-N 2.96Å; P273-L289 HydrophobicContact CB-CD2 3.81Å
274A98.3Very high97.1Very high0 Ų042.4 Ų42.40%021%0.21CC..Hα-helixtrans-74-32.7175.500000112.5I73 L262 I265 P271 N272 L277 M278 L293I73-A274 HydrophobicContact CD1-CB 3.52Å; I73-A274 HydrophobicContact CG1-CB 3.98Å; I73-A274 HydrophobicContact CG2-CB 3.94Å; L262-A274 HydrophobicContact CD2-CB 4.24Å; I265-A274 HydrophobicContact CG2-CB 3.77Å; P271-A274 VanDerWaalsContact O-CB 3.3Å; P271-A274 WeakPolarHBondContact O-CB 3.33Å; P271-A274 PolarHBondContact O-N 3.16Å; N272-A274 PolarHBondContact O-N 3.14Å; N272-A274 VanDerWaalsContact O-N 3.12Å; A274-L277 PolarHBondContact O-N 3.42Å; A274-M278 VanDerWaalsContact O-CG 3.3Å; A274-M278 WeakPolarHBondContact O-CG 3.32Å; A274-M278 PolarHBondContact O-N 3.44Å; A274-M278 VanDerWaalsContact O-N 3.14Å; A274-L293 HydrophobicContact CB-CD2 4.12Å
275V98.6Very high97.1Very high0 Ų045 Ų450%022%0.223CC..Hα-helixtrans-66.2-46.8171.6178.10000109.7I73 T76 L80 Y92 L94 N272 L277 M278 T279I73-V275 HydrophobicContact CG2-CG2 4.21Å; T76-V275 HydrophobicContact CG2-CG1 4.13Å; T76-V275 HydrophobicContact CG2-CG2 4.01Å; L80-V275 HydrophobicContact CD2-CG1 3.95Å; Y92-V275 HydrophobicContact CD1-CG1 4.45Å; Y92-V275 HydrophobicContact CD2-CB 4.23Å; Y92-V275 HydrophobicContact CD2-CG1 4.01Å; Y92-V275 HydrophobicContact CD2-CG2 4.31Å; Y92-V275 HydrophobicContact CE1-CG1 4.14Å; Y92-V275 HydrophobicContact CE2-CB 3.62Å; Y92-V275 HydrophobicContact CE2-CG1 3.68Å; Y92-V275 HydrophobicContact CE2-CG2 4.06Å; Y92-V275 HydrophobicContact CG-CG1 4.38Å; L94-V275 HydrophobicContact CD1-CG2 3.56Å; L94-V275 HydrophobicContact CD2-CG2 3.77Å; L94-V275 HydrophobicContact CG-CG2 4.36Å; N272-V275 PolarHBondContact O-N 3.46Å; N272-V275 VanDerWaalsContact O-N 3.1Å; V275-L277 VanDerWaalsContact C-N 3.27Å; V275-L277 PolarHBondContact O-N 3.41Å; V275-M278 PolarHBondContact O-N 3.17Å; V275-T279 HydrophobicContact CG1-CG2 4.44Å; V275-T279 PolarHBondContact O-N 3.27Å; V275-T279 PolarHBondContact O-OG1 3.16Å; V275-T279 VanDerWaalsContact O-OG1 3.07Å
276E98.3Very high97.2Very high80 Ų8044.9 Ų44.937%0.37422%0.223SC..Hα-helixtrans-57.4-40.7176.7-173.1-178.5-173.600111.7N272 M278 T279 T280 I285 L289N272-E276 PolarHBondContact O-N 3.04Å; E276-M278 VanDerWaalsContact C-N 3.32Å; E276-M278 PolarHBondContact O-N 3.18Å; E276-T279 PolarHBondContact O-N 3.32Å; E276-T280 WeakPolarHBondContact O-CB 3.2Å; E276-T280 WeakPolarHBondContact O-CG2 3.36Å; E276-T280 PolarHBondContact O-N 3.42Å; E276-I285 HydrophobicContact CG-CG2 4.42Å; E276-L289 HydrophobicContact CB-CD1 3.91Å; E276-L289 HydrophobicContact CG-CD1 3.73Å
277L98.6Very high97.4Very high0 Ų048.2 Ų48.20%024%0.238CC..Hα-helixtrans-59-44.8173.7174.762.3000111.6G234 L238 P273 A274 V275 T279 A286 L289 A290 L293G234-L277 VanDerWaalsContact CA-O 3.26Å; G234-L277 WeakPolarHBondContact CA-O 3.33Å; L238-L277 HydrophobicContact CD1-CD2 3.77Å; L238-L277 HydrophobicContact CD2-CD2 4.04Å; L238-L277 HydrophobicContact CG-CD2 3.87Å; P273-L277 WeakPolarHBondContact O-CB 3.24Å; P273-L277 PolarHBondContact O-N 2.96Å; A274-L277 PolarHBondContact O-N 3.42Å; V275-L277 VanDerWaalsContact C-N 3.27Å; V275-L277 PolarHBondContact O-N 3.41Å; L277-T279 VanDerWaalsContact C-N 3.32Å; L277-T279 PolarHBondContact O-N 3.39Å; L277-A286 VanDerWaalsContact CD1-O 3.28Å; L277-A286 WeakPolarHBondContact CD1-O 3.02Å; L277-L289 HydrophobicContact CB-CB 3.94Å; L277-L289 HydrophobicContact CB-CD1 4.04Å; L277-L289 HydrophobicContact CD1-CB 3.8Å; L277-L289 HydrophobicContact CG-CB 4.32Å; L277-A290 HydrophobicContact CD1-CB 4.16Å; L277-L293 HydrophobicContact CD2-CD1 4.3Å; L277-L293 HydrophobicContact CD2-CD2 3.67Å; L277-L293 HydrophobicContact CD2-CG 4.45Å
278M98.5Very high97.6Very high0 Ų050.5 Ų50.50%025%0.251CS..Hα-helixtrans-75.2-21.2-174.8-66.5-53.4-68.600113.1I73 L200 I203 R232 L235 L238 L262 A274 V275 E276I73-M278 HydrophobicContact CG2-CG 4.32Å; L200-M278 HydrophobicContact CD2-CB 4.2Å; L200-M278 HydrophobicContact CD2-CE 3.49Å; L200-M278 VanDerWaalsContact CD2-CE 3.49Å; I203-M278 HydrophobicContact CD1-CE 3.8Å; R232-M278 WeakPolarHBondContact CD-O 3.49Å; R232-M278 WeakPolarHBondContact CG-O 3.35Å; R232-M278 PolarHBondContact NH1-O 3.29Å; L235-M278 HydrophobicContact CB-CE 4.33Å; L238-M278 HydrophobicContact CD1-SD 4.2Å; L262-M278 HydrophobicContact CD2-CG 4.43Å; L262-M278 HydrophobicContact CD2-SD 4.4Å; A274-M278 VanDerWaalsContact O-CG 3.3Å; A274-M278 WeakPolarHBondContact O-CG 3.32Å; A274-M278 PolarHBondContact O-N 3.44Å; A274-M278 VanDerWaalsContact O-N 3.14Å; V275-M278 PolarHBondContact O-N 3.17Å; E276-M278 VanDerWaalsContact C-N 3.32Å; E276-M278 PolarHBondContact O-N 3.18Å
279T98Very high97.8Very high19 Ų1949.7 Ų49.712%0.11725%0.247CC..Hα-helixtrans-114.5-8.1-175.862.50000115L80 E81 V275 E276 L277L80-T279 HydrophobicContact CD2-CG2 4.1Å; E81-T279 HydrophobicContact CG-CG2 4.22Å; V275-T279 HydrophobicContact CG1-CG2 4.44Å; V275-T279 PolarHBondContact O-N 3.27Å; V275-T279 PolarHBondContact O-OG1 3.16Å; V275-T279 VanDerWaalsContact O-OG1 3.07Å; E276-T279 PolarHBondContact O-N 3.32Å; L277-T279 VanDerWaalsContact C-N 3.32Å; L277-T279 PolarHBondContact O-N 3.39Å
280T97.9Very high98.1Very high23 Ų2348.7 Ų48.714%0.14124%0.237CC..  trans-68.3142.6-179-171.80000113.8E276 D282 I285 A286E276-T280 WeakPolarHBondContact O-CB 3.2Å; E276-T280 WeakPolarHBondContact O-CG2 3.36Å; E276-T280 PolarHBondContact O-N 3.42Å; T280-D282 PolarHBondContact OG1-N 2.91Å; T280-D282 VanDerWaalsContact OG1-N 3.15Å; T280-I285 HydrophobicContact CG2-CG2 4.21Å; T280-A286 HydrophobicContact CG2-CB 3.83Å
281F97.4Very high98.2Very high180 Ų18049.6 Ų49.679%0.78924%0.238SC*.  trans-100.45.1171.5-61.2-80.5000113.2L233L233-F281 WeakPolarHBondContact CD1-O 3.15Å
282D98.4Very high98.3Very high72 Ų7254 Ų5439%0.38526%0.257SS..  trans-101118.1179.4-173.5-49.9000110.5T280 E284 I285 A286T280-D282 PolarHBondContact OG1-N 2.91Å; T280-D282 VanDerWaalsContact OG1-N 3.15Å; D282-E284 VanDerWaalsContact C-N 3.29Å; D282-E284 PolarHBondContact O-N 2.84Å; D282-E284 WeakPolarHBondContact OD1-CA 3.37Å; D282-E284 WeakPolarHBondContact OD1-CB 3.46Å; D282-E284 PolarHBondContact OD1-N 2.85Å; D282-I285 HydrophobicContact CB-CB 3.97Å; D282-I285 HydrophobicContact CB-CD1 3.81Å; D282-I285 HydrophobicContact CB-CG1 3.88Å; D282-I285 PolarHBondContact O-N 2.93Å; D282-I285 PolarHBondContact OD1-N 2.9Å; D282-A286 WeakPolarHBondContact O-CB 3.18Å; D282-A286 PolarHBondContact O-N 3.07Å
283E98Very high98.3Very high150 Ų15052.5 Ų52.570%0.70125%0.249SC*.Hα-helixtrans-61.2-35.3-178.8-67.3-179.1-17700112.9L233 H287L233-E283 HydrophobicContact CD1-CG 3.89Å; L233-E283 HydrophobicContact CD2-CG 4.2Å; E283-H287 WeakPolarHBondContact O-CB 3.41Å; E283-H287 PolarHBondContact O-N 2.97Å
284E98.3Very high98.3Very high130 Ų13053.1 Ų53.161%0.60725%0.252SS*.Hα-helixtrans-72.5-44179.8-175.4174.8-179.800110.5D282 H287 Q288D282-E284 VanDerWaalsContact C-N 3.29Å; D282-E284 PolarHBondContact O-N 2.84Å; D282-E284 WeakPolarHBondContact OD1-CA 3.37Å; D282-E284 WeakPolarHBondContact OD1-CB 3.46Å; D282-E284 PolarHBondContact OD1-N 2.85Å; E284-H287 PolarHBondContact O-N 3.38Å; E284-Q288 WeakPolarHBondContact O-CB 3.45Å; E284-Q288 VanDerWaalsContact O-CG 3.26Å; E284-Q288 WeakPolarHBondContact O-CG 3.44Å; E284-Q288 PolarHBondContact O-N 3.07Å; E284-Q288 PolarHBondContact OE1-NE2 2.7Å
285I98.2Very high98.3Very high54 Ų5459.5 Ų59.528%0.27728%0.282SS..Hα-helixtrans-61.9-46.6174.8-62.9179.3000110.3E276 T280 D282 H287 Q288 L289E276-I285 HydrophobicContact CG-CG2 4.42Å; T280-I285 HydrophobicContact CG2-CG2 4.21Å; D282-I285 HydrophobicContact CB-CB 3.97Å; D282-I285 HydrophobicContact CB-CD1 3.81Å; D282-I285 HydrophobicContact CB-CG1 3.88Å; D282-I285 PolarHBondContact O-N 2.93Å; D282-I285 PolarHBondContact OD1-N 2.9Å; I285-H287 VanDerWaalsContact C-N 3.33Å; I285-H287 PolarHBondContact O-N 3.16Å; I285-Q288 PolarHBondContact O-N 2.85Å; I285-L289 HydrophobicContact CG2-CD1 3.61Å; I285-L289 HydrophobicContact CG2-CG 4.16Å; I285-L289 WeakPolarHBondContact O-CB 3.26Å; I285-L289 WeakPolarHBondContact O-CG 3.43Å; I285-L289 PolarHBondContact O-N 3.2Å
286A98.6Very high98.3Very high0 Ų060.8 Ų60.80%029%0.288CS..Hα-helixtrans-57.2-46.6177.800000111.7L233 E237 L277 T280 D282 A290L233-A286 HydrophobicContact CB-CB 3.78Å; E237-A286 HydrophobicContact CG-CB 4.47Å; L277-A286 VanDerWaalsContact CD1-O 3.28Å; L277-A286 WeakPolarHBondContact CD1-O 3.02Å; T280-A286 HydrophobicContact CG2-CB 3.83Å; D282-A286 WeakPolarHBondContact O-CB 3.18Å; D282-A286 PolarHBondContact O-N 3.07Å; A286-A290 VanDerWaalsContact O-CB 3.25Å; A286-A290 WeakPolarHBondContact O-CB 3.29Å; A286-A290 PolarHBondContact O-N 3.23Å
287H98.5Very high98.3Very high71 Ų7157 Ų5733%0.32927%0.27SS..Hα-helixtrans-62.7-48.8178.5-178.163.3000112E237 E283 E284 I285 L289 A290 E291E237-H287 HydrophobicContact CG-CB 4.4Å; E237-H287 IonicContact OE2-CE1 3.96Å; E237-H287 IonicContact OE2-CG 2.67Å; E237-H287 IonicContact OE2-ND1 3.24Å; E237-H287 PolarHBondContact OE2-ND1 3.19Å; E283-H287 WeakPolarHBondContact O-CB 3.41Å; E283-H287 PolarHBondContact O-N 2.97Å; E284-H287 PolarHBondContact O-N 3.38Å; I285-H287 VanDerWaalsContact C-N 3.33Å; I285-H287 PolarHBondContact O-N 3.16Å; H287-L289 PolarHBondContact O-N 3.21Å; H287-A290 PolarHBondContact O-N 3.39Å; H287-E291 IonicContact CE1-OE1 3.44Å; H287-E291 IonicContact NE2-OE1 2.78Å; H287-E291 PolarHBondContact NE2-OE1 3.19Å; H287-E291 WeakPolarHBondContact O-CG 3.27Å; H287-E291 PolarHBondContact O-N 3.28Å
288Q98.5Very high98.2Very high102 Ų10260.4 Ų60.448%0.47729%0.289SS..Hα-helixtrans-61.6-43.3179.8-71.9176.51300112.2E284 I285 E291 K292E284-Q288 WeakPolarHBondContact O-CB 3.45Å; E284-Q288 VanDerWaalsContact O-CG 3.26Å; E284-Q288 WeakPolarHBondContact O-CG 3.44Å; E284-Q288 PolarHBondContact O-N 3.07Å; E284-Q288 PolarHBondContact OE1-NE2 2.7Å; I285-Q288 PolarHBondContact O-N 2.85Å; Q288-E291 PolarHBondContact O-N 3.21Å; Q288-K292 WeakPolarHBondContact O-CB 3.08Å; Q288-K292 PolarHBondContact O-N 2.95Å
289L98.6Very high98.2Very high16 Ų1665.3 Ų65.38%0.08431%0.312CS..Hα-helixtrans-68.6-39.3178-71.5176.3000111.8P273 E276 L277 I285 H287 K292 L293P273-L289 HydrophobicContact CB-CD2 3.81Å; E276-L289 HydrophobicContact CB-CD1 3.91Å; E276-L289 HydrophobicContact CG-CD1 3.73Å; L277-L289 HydrophobicContact CB-CB 3.94Å; L277-L289 HydrophobicContact CB-CD1 4.04Å; L277-L289 HydrophobicContact CD1-CB 3.8Å; L277-L289 HydrophobicContact CG-CB 4.32Å; I285-L289 HydrophobicContact CG2-CD1 3.61Å; I285-L289 HydrophobicContact CG2-CG 4.16Å; I285-L289 WeakPolarHBondContact O-CB 3.26Å; I285-L289 WeakPolarHBondContact O-CG 3.43Å; I285-L289 PolarHBondContact O-N 3.2Å; H287-L289 PolarHBondContact O-N 3.21Å; L289-K292 WeakPolarHBondContact O-CB 3.23Å; L289-K292 PolarHBondContact O-N 3.45Å; L289-L293 WeakPolarHBondContact O-CD1 3.22Å; L289-L293 PolarHBondContact O-N 2.88Å
290A98.5Very high98.2Very high1 Ų165.5 Ų65.51%0.00831%0.31CS..Hα-helixtrans-63.3-42.2175.200000112E237 L238 L277 A286 H287 L293 N294E237-A290 HydrophobicContact CB-CB 3.66Å; L238-A290 HydrophobicContact CD2-CB 4.31Å; L277-A290 HydrophobicContact CD1-CB 4.16Å; A286-A290 VanDerWaalsContact O-CB 3.25Å; A286-A290 WeakPolarHBondContact O-CB 3.29Å; A286-A290 PolarHBondContact O-N 3.23Å; H287-A290 PolarHBondContact O-N 3.39Å; A290-L293 PolarHBondContact O-N 3.39Å; A290-N294 WeakPolarHBondContact O-CB 3.49Å; A290-N294 PolarHBondContact O-N 2.82Å
291E98.4Very high98.2Very high100 Ų10069.3 Ų69.347%0.46733%0.325SS..Hα-helixtrans-60.8-45.4172.9-75-166.514700111.7I241 H287 Q288 N294 Q295I241-E291 HydrophobicContact CD1-CB 4.4Å; I241-E291 HydrophobicContact CD1-CG 3.97Å; H287-E291 IonicContact CE1-OE1 3.44Å; H287-E291 IonicContact NE2-OE1 2.78Å; H287-E291 PolarHBondContact NE2-OE1 3.19Å; H287-E291 WeakPolarHBondContact O-CG 3.27Å; H287-E291 PolarHBondContact O-N 3.28Å; Q288-E291 PolarHBondContact O-N 3.21Å; E291-N294 PolarHBondContact O-N 3.43Å; E291-Q295 PolarHBondContact O-N 3.32Å
292K98.3Very high98.2Very high92 Ų9265.2 Ų65.240%0.431%0.308SS..Hα-helixtrans-58.8-49.9176.5179.9-178.4175.7-1740111.7Q288 L289 N294 Q295 I296Q288-K292 WeakPolarHBondContact O-CB 3.08Å; Q288-K292 PolarHBondContact O-N 2.95Å; L289-K292 WeakPolarHBondContact O-CB 3.23Å; L289-K292 PolarHBondContact O-N 3.45Å; K292-N294 VanDerWaalsContact C-N 3.3Å; K292-N294 PolarHBondContact O-N 3.45Å; K292-Q295 PolarHBondContact O-N 3.19Å; K292-I296 HydrophobicContact CG-CD1 3.96Å; K292-I296 VanDerWaalsContact O-CG1 3.29Å; K292-I296 WeakPolarHBondContact O-CG1 3.11Å; K292-I296 PolarHBondContact O-N 3.35Å
293L98.2Very high98.2Very high0 Ų063.4 Ų63.40%030%0.298CS..Hα-helixtrans-63.6-37178.2-92.373.3000111.8L262 I265 A274 L277 L289 A290 I296 N297L262-L293 HydrophobicContact CD2-CD2 3.88Å; I265-L293 HydrophobicContact CB-CG 4.4Å; I265-L293 HydrophobicContact CD1-CD1 3.74Å; I265-L293 HydrophobicContact CD1-CG 4.25Å; A274-L293 HydrophobicContact CB-CD2 4.12Å; L277-L293 HydrophobicContact CD2-CD1 4.3Å; L277-L293 HydrophobicContact CD2-CD2 3.67Å; L277-L293 HydrophobicContact CD2-CG 4.45Å; L289-L293 WeakPolarHBondContact O-CD1 3.22Å; L289-L293 PolarHBondContact O-N 2.88Å; A290-L293 PolarHBondContact O-N 3.39Å; L293-I296 PolarHBondContact O-N 3.2Å; L293-N297 VanDerWaalsContact O-CB 3.29Å; L293-N297 WeakPolarHBondContact O-CB 3.15Å; L293-N297 PolarHBondContact O-N 3.44Å
294N98.2Very high98.2Very high25 Ų2557 Ų5713%0.13427%0.269CS..Hα-helixtrans-63.7-45.5174.5-17480.1000111.7I241 R261 A290 E291 K292 I296 N297 D298I241-N294 HydrophobicContact CD1-CB 3.5Å; I241-N294 VanDerWaalsContact CD1-CB 3.5Å; I241-N294 HydrophobicContact CG1-CB 4Å; I241-N294 HydrophobicContact CG2-CB 4.27Å; R261-N294 VanDerWaalsContact CZ-OD1 3.29Å; R261-N294 PolarHBondContact NE-OD1 3.12Å; R261-N294 PolarHBondContact NH2-OD1 3.33Å; A290-N294 WeakPolarHBondContact O-CB 3.49Å; A290-N294 PolarHBondContact O-N 2.82Å; E291-N294 PolarHBondContact O-N 3.43Å; K292-N294 VanDerWaalsContact C-N 3.3Å; K292-N294 PolarHBondContact O-N 3.45Å; N294-I296 PolarHBondContact O-N 2.97Å; N294-N297 WeakPolarHBondContact O-CB 3.42Å; N294-N297 PolarHBondContact O-N 3.12Å; N294-D298 PolarHBondContact ND2-OD2 2.88Å; N294-D298 PolarHBondContact O-N 2.65Å
295Q98.2Very high98.2Very high135 Ų13556.7 Ų56.763%0.63127%0.268SS*.Hα-helixtrans-59.7-45.9176.9-176.1179.27.200111.7E291 K292 N297 D298 E299E291-Q295 PolarHBondContact O-N 3.32Å; K292-Q295 PolarHBondContact O-N 3.19Å; Q295-N297 VanDerWaalsContact C-N 3.29Å; Q295-N297 PolarHBondContact O-N 2.93Å; Q295-D298 PolarHBondContact O-N 2.81Å; Q295-E299 PolarHBondContact O-N 3.43Å
296I98.1Very high98.2Very high26 Ų2657.6 Ų57.613%0.13327%0.274CS..Hα-helixtrans-62.5-38.6177-66.4169.8000110.8A264 I265 L268 K292 L293 N294 E299 R300A264-I296 HydrophobicContact CB-CG2 4.16Å; I265-I296 HydrophobicContact CB-CD1 4.49Å; I265-I296 HydrophobicContact CD1-CD1 4.1Å; I265-I296 HydrophobicContact CG1-CD1 3.95Å; L268-I296 HydrophobicContact CB-CG2 3.94Å; L268-I296 HydrophobicContact CD1-CG2 3.85Å; L268-I296 WeakPolarHBondContact CD1-O 3.43Å; L268-I296 HydrophobicContact CG-CG2 4.26Å; K292-I296 HydrophobicContact CG-CD1 3.96Å; K292-I296 VanDerWaalsContact O-CG1 3.29Å; K292-I296 WeakPolarHBondContact O-CG1 3.11Å; K292-I296 PolarHBondContact O-N 3.35Å; L293-I296 PolarHBondContact O-N 3.2Å; N294-I296 PolarHBondContact O-N 2.97Å; I296-E299 PolarHBondContact O-N 2.77Å; I296-R300 WeakPolarHBondContact O-CB 3.46Å; I296-R300 PolarHBondContact O-N 2.9Å
297N98Very high98.2Very high0 Ų058 Ų580%028%0.275CS..Hα-helixtrans-65.4-38.2175.6173.182.4000113P260 R261 A264 L293 N294 Q295 R300 K301P260-N297 PolarHBondContact O-OD1 2.94Å; R261-N297 HydrophobicContact CB-CB 4.48Å; R261-N297 HydrophobicContact CG-CB 3.84Å; A264-N297 HydrophobicContact CB-CB 3.79Å; L293-N297 VanDerWaalsContact O-CB 3.29Å; L293-N297 WeakPolarHBondContact O-CB 3.15Å; L293-N297 PolarHBondContact O-N 3.44Å; N294-N297 WeakPolarHBondContact O-CB 3.42Å; N294-N297 PolarHBondContact O-N 3.12Å; Q295-N297 VanDerWaalsContact C-N 3.29Å; Q295-N297 PolarHBondContact O-N 2.93Å; N297-R300 PolarHBondContact O-N 2.8Å; N297-R300 VanDerWaalsContact OD1-CZ 3.31Å; N297-R300 PolarHBondContact OD1-NH1 2.88Å; N297-R300 PolarHBondContact OD1-NH2 3.16Å; N297-K301 WeakPolarHBondContact ND2-CE 3.48Å; N297-K301 WeakPolarHBondContact O-CG 3.2Å; N297-K301 PolarHBondContact O-N 2.91Å
298D98Very high98.2Very high72 Ų7255.1 Ų55.139%0.38526%0.263SS..Hα-helixtrans-69.9-40.8176-67.5-23.1000111.2N294 Q295 K301 Q302N294-D298 PolarHBondContact ND2-OD2 2.88Å; N294-D298 PolarHBondContact O-N 2.65Å; Q295-D298 PolarHBondContact O-N 2.81Å; D298-K301 PolarHBondContact O-N 2.91Å; D298-K301 IonicContact OD1-NZ 2.95Å; D298-Q302 PolarHBondContact O-N 2.89Å
299E98.3Very high98.1Very high104 Ų10454.2 Ų54.249%0.48627%0.268SS..Hα-helixtrans-58.8-47.4170.4-177.8178.4179.900111.4L268 Q295 I296 K301 Q302 I303L268-E299 HydrophobicContact CD1-CB 4.2Å; L268-E299 HydrophobicContact CD1-CG 4.06Å; Q295-E299 PolarHBondContact O-N 3.43Å; I296-E299 PolarHBondContact O-N 2.77Å; E299-K301 VanDerWaalsContact C-N 3.3Å; E299-K301 PolarHBondContact O-N 3.02Å; E299-Q302 WeakPolarHBondContact O-CB 3.47Å; E299-Q302 PolarHBondContact O-N 2.81Å; E299-Q302 VanDerWaalsContact O-N 3.13Å; E299-I303 HydrophobicContact CG-CD1 3.88Å; E299-I303 HydrophobicContact CG-CG1 4.43Å; E299-I303 WeakPolarHBondContact O-CG1 3.4Å; E299-I303 PolarHBondContact O-N 2.69Å
300R98Very high98.1Very high22 Ų2258.5 Ų58.58%0.08329%0.287CS..Hα-helixtrans-57.6-43.8176.7-173.3-146.761.2-150.2-16.9111.4P260 A264 L268 I296 N297 Q302 I303 V304 V333P260-R300 PolarHBondContact O-NH1 3.45Å; A264-R300 HydrophobicContact CB-CB 4.31Å; L268-R300 HydrophobicContact CD1-CB 3.67Å; L268-R300 HydrophobicContact CD1-CG 4.44Å; L268-R300 HydrophobicContact CG-CB 4.21Å; L268-R300 HydrophobicContact CG-CG 4.49Å; I296-R300 WeakPolarHBondContact O-CB 3.46Å; I296-R300 PolarHBondContact O-N 2.9Å; N297-R300 PolarHBondContact O-N 2.8Å; N297-R300 VanDerWaalsContact OD1-CZ 3.31Å; N297-R300 PolarHBondContact OD1-NH1 2.88Å; N297-R300 PolarHBondContact OD1-NH2 3.16Å; R300-Q302 VanDerWaalsContact C-N 3.33Å; R300-I303 PolarHBondContact O-N 2.93Å; R300-V304 HydrophobicContact CG-CG2 4.42Å; R300-V304 WeakPolarHBondContact O-CB 3.4Å; R300-V304 VanDerWaalsContact O-CG2 3.22Å; R300-V304 WeakPolarHBondContact O-CG2 3.44Å; R300-V304 PolarHBondContact O-N 2.94Å; R300-V333 HydrophobicContact CG-CG1 3.85Å
301K97.5Very high98.1Very high103 Ų10358.4 Ų58.445%0.44829%0.287SS..Hα-helixtrans-60.7-43.7177.4-75.4171.7179.7175.10111.3N297 D298 E299 V304 Q305N297-K301 WeakPolarHBondContact ND2-CE 3.48Å; N297-K301 WeakPolarHBondContact O-CG 3.2Å; N297-K301 PolarHBondContact O-N 2.91Å; D298-K301 PolarHBondContact O-N 2.91Å; D298-K301 IonicContact OD1-NZ 2.95Å; E299-K301 VanDerWaalsContact C-N 3.3Å; E299-K301 PolarHBondContact O-N 3.02Å; K301-V304 PolarHBondContact O-N 3.38Å; K301-Q305 WeakPolarHBondContact O-CB 3.28Å; K301-Q305 PolarHBondContact O-N 3.19Å
302Q98.2Very high98.1Very high94 Ų9456.4 Ų56.444%0.43928%0.281SS..Hα-helixtrans-62.6-49.2177.7-171.861.157.600111.4D298 E299 R300 V304 Q305 D306D298-Q302 PolarHBondContact O-N 2.89Å; E299-Q302 WeakPolarHBondContact O-CB 3.47Å; E299-Q302 PolarHBondContact O-N 2.81Å; E299-Q302 VanDerWaalsContact O-N 3.13Å; R300-Q302 VanDerWaalsContact C-N 3.33Å; Q302-V304 VanDerWaalsContact C-N 3.33Å; Q302-V304 PolarHBondContact O-N 3.16Å; Q302-Q305 WeakPolarHBondContact O-CB 3.33Å; Q302-Q305 PolarHBondContact O-N 3.07Å; Q302-Q305 VanDerWaalsContact O-N 3.12Å; Q302-D306 PolarHBondContact NE2-OD1 3.26Å; Q302-D306 PolarHBondContact NE2-OD2 2.84Å; Q302-D306 VanDerWaalsContact O-CG 3.26Å; Q302-D306 PolarHBondContact O-N 3.42Å
303I98.3Very high98Very high34 Ų3456.1 Ų56.117%0.17430%0.296CS..Hα-helixtrans-58.6-44.9177.4-63.6169.3000110.9L268 E299 R300 Q305 D306 I307 N330 V333L268-I303 HydrophobicContact CD1-CD1 4.26Å; L268-I303 HydrophobicContact CD2-CD1 3.97Å; E299-I303 HydrophobicContact CG-CD1 3.88Å; E299-I303 HydrophobicContact CG-CG1 4.43Å; E299-I303 WeakPolarHBondContact O-CG1 3.4Å; E299-I303 PolarHBondContact O-N 2.69Å; R300-I303 PolarHBondContact O-N 2.93Å; I303-Q305 VanDerWaalsContact C-N 3.33Å; I303-Q305 PolarHBondContact O-N 3.46Å; I303-D306 PolarHBondContact O-N 3.47Å; I303-I307 HydrophobicContact CG2-CD1 3.63Å; I303-I307 HydrophobicContact CG2-CG1 4.32Å; I303-I307 WeakPolarHBondContact O-CB 3.5Å; I303-I307 VanDerWaalsContact O-CG1 3.29Å; I303-I307 WeakPolarHBondContact O-CG1 3.29Å; I303-I307 PolarHBondContact O-N 3.09Å; I303-N330 HydrophobicContact CG2-CB 4.03Å; I303-V333 HydrophobicContact CG2-CG2 3.86Å
304V98.4Very high98Very high15 Ų1560.8 Ų60.89%0.09132%0.32CS..Hα-helixtrans-60.2-43.7176.9166.80000111R300 K301 Q302 T308 V333 I336R300-V304 HydrophobicContact CG-CG2 4.42Å; R300-V304 WeakPolarHBondContact O-CB 3.4Å; R300-V304 VanDerWaalsContact O-CG2 3.22Å; R300-V304 WeakPolarHBondContact O-CG2 3.44Å; R300-V304 PolarHBondContact O-N 2.94Å; K301-V304 PolarHBondContact O-N 3.38Å; Q302-V304 VanDerWaalsContact C-N 3.33Å; Q302-V304 PolarHBondContact O-N 3.16Å; V304-T308 WeakPolarHBondContact O-CB 3.36Å; V304-T308 PolarHBondContact O-N 3.22Å; V304-T308 PolarHBondContact O-OG1 2.96Å; V304-V333 HydrophobicContact CG2-CB 3.74Å; V304-V333 HydrophobicContact CG2-CG1 3.94Å; V304-V333 HydrophobicContact CG2-CG2 4.34Å; V304-I336 HydrophobicContact CG1-CG2 3.78Å; V304-I336 HydrophobicContact CG2-CB 4.28Å; V304-I336 HydrophobicContact CG2-CD1 4.23Å; V304-I336 HydrophobicContact CG2-CG2 4.1Å
305Q97.3Very high97.9Very high124 Ų12461.2 Ų61.258%0.57932%0.324SS*.Hα-helixtrans-63.1-48.2179.5-178.6177.24.800111.4K301 Q302 I303 T308 S309K301-Q305 WeakPolarHBondContact O-CB 3.28Å; K301-Q305 PolarHBondContact O-N 3.19Å; Q302-Q305 WeakPolarHBondContact O-CB 3.33Å; Q302-Q305 PolarHBondContact O-N 3.07Å; Q302-Q305 VanDerWaalsContact O-N 3.12Å; I303-Q305 VanDerWaalsContact C-N 3.33Å; I303-Q305 PolarHBondContact O-N 3.46Å; Q305-T308 PolarHBondContact O-N 3.43Å; Q305-S309 PolarHBondContact O-N 3.21Å
306D98.2Very high97.7Very high74 Ų7458 Ų5840%0.39631%0.311SS..Hα-helixtrans-62.2-50.2-178.7-64.3-20.6000110.7Q302 I303 T308 S309 E310Q302-D306 PolarHBondContact NE2-OD1 3.26Å; Q302-D306 PolarHBondContact NE2-OD2 2.84Å; Q302-D306 VanDerWaalsContact O-CG 3.26Å; Q302-D306 PolarHBondContact O-N 3.42Å; I303-D306 PolarHBondContact O-N 3.47Å; D306-T308 PolarHBondContact O-N 3.22Å; D306-S309 WeakPolarHBondContact O-CB 3.23Å; D306-S309 PolarHBondContact O-N 3.39Å; D306-E310 WeakPolarHBondContact O-CG 3.21Å; D306-E310 PolarHBondContact O-N 2.96Å
307I98.4Very high97.2Very high8 Ų862 Ų624%0.04134%0.339CS..Hα-helixtrans-65-38.9178.5-62.2174.6000111.2I303 S309 E310 A311 W329 V333 V337I303-I307 HydrophobicContact CG2-CD1 3.63Å; I303-I307 HydrophobicContact CG2-CG1 4.32Å; I303-I307 WeakPolarHBondContact O-CB 3.5Å; I303-I307 VanDerWaalsContact O-CG1 3.29Å; I303-I307 WeakPolarHBondContact O-CG1 3.29Å; I303-I307 PolarHBondContact O-N 3.09Å; I307-S309 VanDerWaalsContact C-N 3.32Å; I307-S309 PolarHBondContact O-N 2.95Å; I307-E310 PolarHBondContact O-N 3.04Å; I307-A311 WeakPolarHBondContact O-CB 3.4Å; I307-A311 PolarHBondContact O-N 3.41Å; I307-W329 HydrophobicContact CD1-CB 3.93Å; I307-W329 HydrophobicContact CD1-CG 4.04Å; I307-W329 HydrophobicContact CG1-CB 4.48Å; I307-W329 HydrophobicContact CG1-CG 4.06Å; I307-W329 HydrophobicContact CG2-CD2 3.65Å; I307-W329 HydrophobicContact CG2-CE3 4.09Å; I307-W329 HydrophobicContact CG2-CG 3.91Å; I307-W329 HydrophobicContact CG2-CZ2 4.2Å; I307-V333 HydrophobicContact CD1-CG2 3.72Å; I307-V337 HydrophobicContact CB-CG2 3.99Å; I307-V337 HydrophobicContact CG2-CB 4.34Å; I307-V337 HydrophobicContact CG2-CG1 3.9Å; I307-V337 HydrophobicContact CG2-CG2 3.71Å
308T98.3Very high96.8Very high11 Ų1170 Ų707%0.06738%0.377CS..Hα-helixtrans-61.8-43175.9-58.90000110.4V304 Q305 D306 A311 T312 N340 I341V304-T308 WeakPolarHBondContact O-CB 3.36Å; V304-T308 PolarHBondContact O-N 3.22Å; V304-T308 PolarHBondContact O-OG1 2.96Å; Q305-T308 PolarHBondContact O-N 3.43Å; D306-T308 PolarHBondContact O-N 3.22Å; T308-A311 PolarHBondContact O-N 3.31Å; T308-T312 VanDerWaalsContact O-CB 3.32Å; T308-T312 WeakPolarHBondContact O-CB 3.48Å; T308-T312 PolarHBondContact O-N 3.2Å; T308-T312 PolarHBondContact O-OG1 3.1Å; T308-N340 HydrophobicContact CG2-CB 3.91Å; T308-N340 PolarHBondContact OG1-ND2 3.22Å; T308-I341 HydrophobicContact CG2-CD1 4.12Å
309S97.7Very high96.6Very high82 Ų8267.9 Ų67.957%0.57337%0.365SS*.Hα-helixtrans-62.7-45177.2-1730000112Q305 D306 I307 A313Q305-S309 PolarHBondContact O-N 3.21Å; D306-S309 WeakPolarHBondContact O-CB 3.23Å; D306-S309 PolarHBondContact O-N 3.39Å; I307-S309 VanDerWaalsContact C-N 3.32Å; I307-S309 PolarHBondContact O-N 2.95Å; S309-A313 PolarHBondContact O-N 2.95Å
310E98.3Very high96.3Very high106 Ų10664 Ų6450%0.49535%0.351SS..Hα-helixtrans-64.8-46.1177.3-71.1178.6-166.100111.8D306 I307 T312 A313 L314 W329D306-E310 WeakPolarHBondContact O-CG 3.21Å; D306-E310 PolarHBondContact O-N 2.96Å; I307-E310 PolarHBondContact O-N 3.04Å; E310-T312 PolarHBondContact O-N 2.84Å; E310-A313 WeakPolarHBondContact O-CB 3.5Å; E310-A313 PolarHBondContact O-N 2.94Å; E310-L314 WeakPolarHBondContact O-CG 3.49Å; E310-L314 PolarHBondContact O-N 3.05Å; E310-W329 HydrophobicContact CB-CZ2 4.01Å; E310-W329 PolarHBondContact OE2-NE1 3.13Å
311A98.1Very high96.2Very high0 Ų063 Ų630%035%0.347CS..Hα-helixtrans-62.8-41.5178.400000111.7I307 T308 A313 L314 V315 I324 W329 V337 I341 I351I307-A311 WeakPolarHBondContact O-CB 3.4Å; I307-A311 PolarHBondContact O-N 3.41Å; T308-A311 PolarHBondContact O-N 3.31Å; A311-A313 VanDerWaalsContact C-N 3.25Å; A311-A313 PolarHBondContact O-N 3.08Å; A311-L314 CarbonylContact O-C 3.53Å; A311-L314 WeakPolarHBondContact O-CA 3.37Å; A311-L314 WeakPolarHBondContact O-CB 3.4Å; A311-L314 PolarHBondContact O-N 3.12Å; A311-V315 PolarHBondContact O-N 2.94Å; A311-I324 HydrophobicContact CB-CD1 4.44Å; A311-I324 HydrophobicContact CB-CG2 4.27Å; A311-W329 HydrophobicContact CB-CH2 3.85Å; A311-W329 HydrophobicContact CB-CZ2 4.31Å; A311-V337 HydrophobicContact CB-CG1 4.13Å; A311-I341 HydrophobicContact CB-CD1 4.12Å; A311-I341 HydrophobicContact CB-CG1 4.25Å; A311-I351 HydrophobicContact CB-CD1 4.28Å
312T97.1Very high96.2Very high57 Ų5758.2 Ų58.235%0.3533%0.326SS..Hα-helixtrans-58.2-39.4176.3-55.80000111.2T308 E310 L314 V315 I341 Q344T308-T312 VanDerWaalsContact O-CB 3.32Å; T308-T312 WeakPolarHBondContact O-CB 3.48Å; T308-T312 PolarHBondContact O-N 3.2Å; T308-T312 PolarHBondContact O-OG1 3.1Å; E310-T312 PolarHBondContact O-N 2.84Å; T312-L314 PolarHBondContact O-N 2.86Å; T312-V315 WeakPolarHBondContact O-CB 3.35Å; T312-V315 PolarHBondContact O-N 3.35Å; T312-I341 VanDerWaalsContact OG1-CD1 3.23Å; T312-I341 WeakPolarHBondContact OG1-CD1 3.41Å; T312-Q344 PolarHBondContact OG1-OE1 3.46Å
313A97.4Very high96.2Very high86 Ų8653.9 Ų53.971%0.71131%0.306SS*.Hα-helixtrans-69.1-16.1176.900000113.9S309 E310 A311S309-A313 PolarHBondContact O-N 2.95Å; E310-A313 WeakPolarHBondContact O-CB 3.5Å; E310-A313 PolarHBondContact O-N 2.94Å; A311-A313 VanDerWaalsContact C-N 3.25Å; A311-A313 PolarHBondContact O-N 3.08Å
314L97Very high96.2Very high98 Ų9852.6 Ų52.651%0.51330%0.3SS..THydrogen-bonded Turntrans-99.5-4177.9-63.4174.4000113.3E310 A311 T312 N316 I324 W329E310-L314 WeakPolarHBondContact O-CG 3.49Å; E310-L314 PolarHBondContact O-N 3.05Å; A311-L314 CarbonylContact O-C 3.53Å; A311-L314 WeakPolarHBondContact O-CA 3.37Å; A311-L314 WeakPolarHBondContact O-CB 3.4Å; A311-L314 PolarHBondContact O-N 3.12Å; T312-L314 PolarHBondContact O-N 2.86Å; L314-N316 PolarHBondContact O-N 2.9Å; L314-I324 HydrophobicContact CB-CG2 3.71Å; L314-I324 HydrophobicContact CD1-CG2 3.77Å; L314-I324 HydrophobicContact CG-CG2 4.4Å; L314-W329 HydrophobicContact CD1-CH2 4.18Å; L314-W329 HydrophobicContact CD1-CZ2 4.34Å
315V96.4Very high96.2Very high34 Ų3453.1 Ų53.121%0.20631%0.306CS..  trans-61.8127.5176170.80000109.5A311 T312 I324 I341 T345A311-V315 PolarHBondContact O-N 2.94Å; T312-V315 WeakPolarHBondContact O-CB 3.35Å; T312-V315 PolarHBondContact O-N 3.35Å; V315-I324 HydrophobicContact CG2-CD1 3.77Å; V315-I341 HydrophobicContact CG2-CG2 4.01Å; V315-T345 HydrophobicContact CG1-CG2 4.13Å; V315-T345 HydrophobicContact CG2-CG2 4.39Å
316N94.2Very high96.2Very high69 Ų6948.2 Ų48.237%0.36929%0.286SS..  trans-97.5113.6166.9-179.720.7000108.9L314 E318 D319L314-N316 PolarHBondContact O-N 2.9Å; N316-E318 PolarHBondContact O-N 3.05Å; N316-E318 VanDerWaalsContact O-N 3.12Å; N316-E318 PolarHBondContact OD1-N 2.82Å; N316-D319 HydrophobicContact CB-CB 4.37Å; N316-D319 PolarHBondContact ND2-OD1 2.78Å; N316-D319 PolarHBondContact O-N 2.93Å
317P88.7Confident96.1Very high110 Ų11051.8 Ų51.871%0.71430%0.301SS*.THydrogen-bonded Turntrans-60.4-20.8-179.1-2535000114.7D319P317-D319 VanDerWaalsContact C-N 3.33Å
318E89.2Confident95.9Very high168 Ų16855.2 Ų55.279%0.78534%0.337SS*.THydrogen-bonded Turntrans-80.9-13178-57.7-63144.300113.3N316N316-E318 PolarHBondContact O-N 3.05Å; N316-E318 VanDerWaalsContact O-N 3.12Å; N316-E318 PolarHBondContact OD1-N 2.82Å
319D92.8Very high95.8Very high26 Ų2655 Ų5514%0.13934%0.335CS..  trans-83.3119.6179.2-71-2.4000109.7N316 P317 V321 H322 R406N316-D319 HydrophobicContact CB-CB 4.37Å; N316-D319 PolarHBondContact ND2-OD1 2.78Å; N316-D319 PolarHBondContact O-N 2.93Å; P317-D319 VanDerWaalsContact C-N 3.33Å; D319-V321 VanDerWaalsContact C-N 3.27Å; D319-V321 PolarHBondContact O-N 3.19Å; D319-H322 PolarHBondContact O-CE1 2.67Å; D319-H322 VanDerWaalsContact O-CE1 3.22Å; D319-H322 PolarHBondContact O-ND1 2.65Å; D319-R406 WeakPolarHBondContact OD2-CD 3.48Å; D319-R406 IonicContact OD2-NE 3.72Å
320A93.2Very high95.7Very high24 Ų2453 Ų5320%0.19832%0.318CS..SBendtrans-66.4-28.5173.200000113H347 N410 I413 L420A320-H347 PolarHBondContact O-CD2 2.85Å; A320-N410 WeakPolarHBondContact CB-OD1 3.44Å; A320-N410 PolarHBondContact N-OD1 2.95Å; A320-I413 HydrophobicContact CB-CB 4.19Å; A320-I413 HydrophobicContact CB-CG1 4.11Å; A320-I413 HydrophobicContact CB-CG2 3.9Å; A320-L420 HydrophobicContact CB-CD1 3.89Å; A320-L420 VanDerWaalsContact O-CD1 3.23Å; A320-L420 WeakPolarHBondContact O-CD1 3.47Å
321V96.1Very high95.4Very high0 Ų050.9 Ų50.90%031%0.314CS..SBendtrans-128.5119.7172.3-179.90000108.4D319 L323 P348 L370 M375 M409 N410 I413D319-V321 VanDerWaalsContact C-N 3.27Å; D319-V321 PolarHBondContact O-N 3.19Å; V321-L323 PolarHBondContact O-N 2.81Å; V321-P348 WeakPolarHBondContact CA-O 3.28Å; V321-P348 HydrophobicContact CG1-CB 4.21Å; V321-P348 HydrophobicContact CG2-CB 4.24Å; V321-L370 HydrophobicContact CG2-CD2 4.14Å; V321-M375 HydrophobicContact CG2-CE 4.31Å; V321-M409 HydrophobicContact CB-CB 4.25Å; V321-M409 HydrophobicContact CG1-CB 4.48Å; V321-M409 HydrophobicContact CG1-CE 4.02Å; V321-M409 HydrophobicContact CG1-SD 3.87Å; V321-N410 PolarHBondContact N-OD1 3.32Å; V321-I413 HydrophobicContact CG2-CD1 4.02Å; V321-I413 HydrophobicContact CG2-CG1 3.79Å
322H97.1Very high95.1Very high3 Ų351 Ų511%0.01432%0.315CS..EExtended strand (participates in β ladder)trans-79.7115.3-178.5-58.8-32.4000110.6D319 I324 T345 P348 T349 I350D319-H322 PolarHBondContact O-CE1 2.67Å; D319-H322 VanDerWaalsContact O-CE1 3.22Å; D319-H322 PolarHBondContact O-ND1 2.65Å; H322-I324 HydrophobicContact CB-CD1 4.19Å; H322-I324 HydrophobicContact CB-CG1 4.28Å; H322-T345 PolarHBondContact CD2-OG1 3.47Å; H322-T345 VanDerWaalsContact CD2-OG1 3.29Å; H322-T345 WeakPolarHBondContact NE2-CB 3.46Å; H322-T345 PolarHBondContact NE2-OG1 2.81Å; H322-P348 PolarHBondContact N-O 2.86Å; H322-T349 HydrophobicContact CB-CG2 4.12Å; H322-T349 CarbonylContact O-C 3.03Å; H322-T349 WeakPolarHBondContact O-CA 3.4Å; H322-I350 PolarHBondContact O-N 3.37Å
323L98Very high95.1Very high3 Ų348.2 Ų48.22%0.01630%0.298CS..EExtended strand (participates in β ladder)trans-111.597.8170.4-173.963.1000109.8V321 I350 L352 I402 L405 R406 M409V321-L323 PolarHBondContact O-N 2.81Å; L323-I350 HydrophobicContact CD1-CB 3.65Å; L323-I350 HydrophobicContact CD1-CD1 4.28Å; L323-I350 HydrophobicContact CD1-CG2 3.61Å; L323-L352 HydrophobicContact CD1-CD1 3.59Å; L323-L352 HydrophobicContact CD1-CG 4.17Å; L323-L352 HydrophobicContact CG-CD1 4.21Å; L323-I402 HydrophobicContact CD2-CG2 3.91Å; L323-I402 WeakPolarHBondContact CD2-O 3.48Å; L323-I402 HydrophobicContact CG-CG2 4.3Å; L323-L405 HydrophobicContact CD1-CD2 4.42Å; L323-L405 HydrophobicContact CD2-CB 4Å; L323-L405 HydrophobicContact CD2-CD2 3.86Å; L323-L405 HydrophobicContact CD2-CG 3.99Å; L323-R406 HydrophobicContact CB-CB 4.4Å; L323-R406 HydrophobicContact CD2-CB 4.1Å; L323-R406 PolarHBondContact O-NH2 3.47Å; L323-R406 VanDerWaalsContact O-NH2 3.15Å; L323-M409 HydrophobicContact CB-CE 3.68Å; L323-M409 HydrophobicContact CD1-CE 4.2Å; L323-M409 HydrophobicContact CD2-CE 3.84Å; L323-M409 HydrophobicContact CG-CE 4.11Å
324I98.2Very high95Very high7 Ų744.2 Ų44.24%0.03626%0.264CS..EExtended strand (participates in β ladder)trans-113129-172.3-52.4171.1000108.7A311 L314 V315 H322 W329 I341 I350 I351 L352A311-I324 HydrophobicContact CB-CD1 4.44Å; A311-I324 HydrophobicContact CB-CG2 4.27Å; L314-I324 HydrophobicContact CB-CG2 3.71Å; L314-I324 HydrophobicContact CD1-CG2 3.77Å; L314-I324 HydrophobicContact CG-CG2 4.4Å; V315-I324 HydrophobicContact CG2-CD1 3.77Å; H322-I324 HydrophobicContact CB-CD1 4.19Å; H322-I324 HydrophobicContact CB-CG1 4.28Å; I324-W329 HydrophobicContact CG2-CH2 3.69Å; I324-W329 HydrophobicContact CG2-CZ3 4.12Å; I324-I341 HydrophobicContact CD1-CG2 4.45Å; I324-I350 PolarHBondContact N-O 3.21Å; I324-I351 HydrophobicContact CB-CD1 3.93Å; I324-I351 HydrophobicContact CD1-CD1 4.09Å; I324-I351 HydrophobicContact CG1-CD1 4.42Å; I324-I351 WeakPolarHBondContact O-CA 3.33Å; I324-L352 PolarHBondContact O-N 3.26Å
325A97.9Very high95Very high26 Ų2639.9 Ų39.922%0.21524%0.244CC..EExtended strand (participates in β ladder)trans-137.8139-177.100000111.1L352 I354 I402A325-L352 VanDerWaalsContact CA-O 3.31Å; A325-L352 WeakPolarHBondContact CA-O 3.42Å; A325-L352 HydrophobicContact CB-CB 3.72Å; A325-L352 HydrophobicContact CB-CD1 4.18Å; A325-I354 HydrophobicContact CB-CD1 3.98Å; A325-I354 HydrophobicContact CB-CG1 4.26Å; A325-I402 HydrophobicContact CB-CD1 3.69Å
326A97.7Very high95Very high21 Ų2140.5 Ų40.517%0.17425%0.245CC..EExtended strand (participates in β ladder)trans-148.3165169.500000111.2W329 L352 S353 I354A326-W329 HydrophobicContact CB-CD2 3.77Å; A326-W329 VanDerWaalsContact CB-CE2 3.46Å; A326-W329 HydrophobicContact CB-CE3 4.06Å; A326-W329 HydrophobicContact CB-CG 4.41Å; A326-W329 HydrophobicContact CB-CH2 3.88Å; A326-W329 HydrophobicContact CB-CZ2 3.55Å; A326-W329 HydrophobicContact CB-CZ3 4.1Å; A326-L352 PolarHBondContact N-O 3.21Å; A326-S353 CarbonylContact O-C 3.57Å; A326-S353 WeakPolarHBondContact O-CA 2.99Å; A326-I354 PolarHBondContact O-N 3.45Å
327E96.7Very high95.2Very high149 Ų14937.2 Ų37.270%0.69623%0.228SC*.EExtended strand (participates in β ladder)trans-82.9154.4171.1-66.8175.3-170.400110.5W329 I354E327-W329 VanDerWaalsContact C-N 3.29Å; E327-W329 PolarHBondContact O-N 2.66Å; E327-I354 HydrophobicContact CG-CB 4Å; E327-I354 HydrophobicContact CG-CG2 4.25Å
328G93.6Very high95.7Very high79 Ų7932 Ų3281%0.81419%0.194SC*.SBendtrans79.31.617200000115.9
329W97.1Very high96Very high7 Ų725.2 Ų25.23%0.02717%0.169CC..  trans-77.3136.1175.4-71.8-5.6000111.8I307 E310 A311 L314 I324 A326 E327 P331 L334 I351 L352 S353I307-W329 HydrophobicContact CD1-CB 3.93Å; I307-W329 HydrophobicContact CD1-CG 4.04Å; I307-W329 HydrophobicContact CG1-CB 4.48Å; I307-W329 HydrophobicContact CG1-CG 4.06Å; I307-W329 HydrophobicContact CG2-CD2 3.65Å; I307-W329 HydrophobicContact CG2-CE3 4.09Å; I307-W329 HydrophobicContact CG2-CG 3.91Å; I307-W329 HydrophobicContact CG2-CZ2 4.2Å; E310-W329 HydrophobicContact CB-CZ2 4.01Å; E310-W329 PolarHBondContact OE2-NE1 3.13Å; A311-W329 HydrophobicContact CB-CH2 3.85Å; A311-W329 HydrophobicContact CB-CZ2 4.31Å; L314-W329 HydrophobicContact CD1-CH2 4.18Å; L314-W329 HydrophobicContact CD1-CZ2 4.34Å; I324-W329 HydrophobicContact CG2-CH2 3.69Å; I324-W329 HydrophobicContact CG2-CZ3 4.12Å; A326-W329 HydrophobicContact CB-CD2 3.77Å; A326-W329 VanDerWaalsContact CB-CE2 3.46Å; A326-W329 HydrophobicContact CB-CE3 4.06Å; A326-W329 HydrophobicContact CB-CG 4.41Å; A326-W329 HydrophobicContact CB-CH2 3.88Å; A326-W329 HydrophobicContact CB-CZ2 3.55Å; A326-W329 HydrophobicContact CB-CZ3 4.1Å; E327-W329 VanDerWaalsContact C-N 3.29Å; E327-W329 PolarHBondContact O-N 2.66Å; W329-P331 VanDerWaalsContact O-CD 3.3Å; W329-P331 WeakPolarHBondContact O-CD 3.47Å; W329-L334 HydrophobicContact CB-CD2 3.94Å; W329-L334 HydrophobicContact CE3-CD2 4.43Å; W329-I351 HydrophobicContact CE3-CG2 3.75Å; W329-I351 HydrophobicContact CZ3-CG2 3.62Å; W329-L352 VanDerWaalsContact CE3-O 3.3Å; W329-S353 WeakPolarHBondContact O-CB 3.34Å; W329-S353 PolarHBondContact O-OG 2.78Å
330N94.2Very high96.2Very high40 Ų4026.7 Ų26.721%0.21418%0.177CC..  trans-71.2120.2179.1-174.7-44.8000110.5L268 I303 G332 V333 L334L268-N330 WeakPolarHBondContact CD2-ND2 3.47Å; I303-N330 HydrophobicContact CG2-CB 4.03Å; N330-G332 PolarHBondContact O-N 2.79Å; N330-G332 VanDerWaalsContact O-N 3.16Å; N330-G332 PolarHBondContact OD1-N 3.35Å; N330-V333 HydrophobicContact CB-CG2 4.26Å; N330-V333 WeakPolarHBondContact O-CG2 3.31Å; N330-V333 PolarHBondContact O-N 3.34Å; N330-L334 WeakPolarHBondContact O-CD2 3.32Å
331P92.4Very high96.4Very high61 Ų6125.5 Ų25.540%0.39617%0.168SC..G310 helixtrans-63.9-23.4-176.517.7-23.7000114F98 W329 V333 L334F98-P331 HydrophobicContact CD1-CG 4.11Å; F98-P331 HydrophobicContact CE1-CG 3.87Å; W329-P331 VanDerWaalsContact O-CD 3.3Å; W329-P331 WeakPolarHBondContact O-CD 3.47Å; P331-V333 PolarHBondContact O-N 3.18Å; P331-L334 HydrophobicContact CB-CD1 4.37Å
332G92.5Very high96.3Very high2 Ų226.9 Ų26.92%0.02118%0.175CC..G310 helixtrans-70.7-13.5-17900000115.1R267 N330R267-G332 WeakPolarHBondContact CG-O 3.41Å; R267-G332 PolarHBondContact NH1-O 2.94Å; R267-G332 VanDerWaalsContact NH1-O 3.09Å; N330-G332 PolarHBondContact O-N 2.79Å; N330-G332 VanDerWaalsContact O-N 3.16Å; N330-G332 PolarHBondContact OD1-N 3.35Å
333V96.3Very high96Very high0 Ų035.4 Ų35.40%021%0.212CC..G310 helixtrans-115.1-5.1-177.9-56.60000114.5L268 R300 I303 V304 I307 N330 P331 G335 I336 V337L268-V333 HydrophobicContact CD2-CG1 4.27Å; R300-V333 HydrophobicContact CG-CG1 3.85Å; I303-V333 HydrophobicContact CG2-CG2 3.86Å; V304-V333 HydrophobicContact CG2-CB 3.74Å; V304-V333 HydrophobicContact CG2-CG1 3.94Å; V304-V333 HydrophobicContact CG2-CG2 4.34Å; I307-V333 HydrophobicContact CD1-CG2 3.72Å; N330-V333 HydrophobicContact CB-CG2 4.26Å; N330-V333 WeakPolarHBondContact O-CG2 3.31Å; N330-V333 PolarHBondContact O-N 3.34Å; P331-V333 PolarHBondContact O-N 3.18Å; V333-G335 PolarHBondContact O-N 3.5Å; V333-I336 WeakPolarHBondContact O-CB 3.39Å; V333-I336 PolarHBondContact O-N 2.79Å; V333-V337 PolarHBondContact O-N 3.09Å; V333-V337 VanDerWaalsContact O-N 3.12Å
334L96.9Very high95.6Very high1 Ų140.7 Ų40.71%0.00524%0.236CC..Hα-helixtrans-59.9-34.4-174-53.4-179.4000112.8W329 N330 P331 I336 V337 A338 I351 K361W329-L334 HydrophobicContact CB-CD2 3.94Å; W329-L334 HydrophobicContact CE3-CD2 4.43Å; N330-L334 WeakPolarHBondContact O-CD2 3.32Å; P331-L334 HydrophobicContact CB-CD1 4.37Å; L334-I336 VanDerWaalsContact C-N 3.31Å; L334-I336 PolarHBondContact O-N 3.03Å; L334-V337 PolarHBondContact O-N 2.92Å; L334-A338 WeakPolarHBondContact O-CB 3.28Å; L334-A338 PolarHBondContact O-N 3.19Å; L334-I351 HydrophobicContact CB-CB 4.24Å; L334-I351 HydrophobicContact CB-CG2 4.1Å; L334-I351 HydrophobicContact CD2-CG2 3.79Å; L334-I351 HydrophobicContact CG-CG2 4.38Å; L334-K361 WeakPolarHBondContact CD1-O 3.23Å
335G95.8Very high95.2Very high8 Ų842.3 Ų42.38%0.08225%0.247CC..Hα-helixtrans-64.5-33.2175.300000113.7V333 G339V333-G335 PolarHBondContact O-N 3.5Å; G335-G339 PolarHBondContact O-N 3.15Å
336I96.9Very high94.8Very high46 Ų4642.7 Ų42.724%0.23625%0.253CS..Hα-helixtrans-71.9-44.8175.2-58.7174.8000109.3V304 V333 L334 A338 G339 N340V304-I336 HydrophobicContact CG1-CG2 3.78Å; V304-I336 HydrophobicContact CG2-CB 4.28Å; V304-I336 HydrophobicContact CG2-CD1 4.23Å; V304-I336 HydrophobicContact CG2-CG2 4.1Å; V333-I336 WeakPolarHBondContact O-CB 3.39Å; V333-I336 PolarHBondContact O-N 2.79Å; L334-I336 VanDerWaalsContact C-N 3.31Å; L334-I336 PolarHBondContact O-N 3.03Å; I336-A338 VanDerWaalsContact C-N 3.35Å; I336-A338 PolarHBondContact O-N 3.22Å; I336-G339 PolarHBondContact O-N 2.91Å; I336-N340 PolarHBondContact O-N 3.35Å
337V98.4Very high94.6Very high0 Ų044.3 Ų44.30%026%0.257CS..Hα-helixtrans-60.4-45.4177.1178.80000110.7I307 A311 V333 L334 G339 N340 I341 I351I307-V337 HydrophobicContact CB-CG2 3.99Å; I307-V337 HydrophobicContact CG2-CB 4.34Å; I307-V337 HydrophobicContact CG2-CG1 3.9Å; I307-V337 HydrophobicContact CG2-CG2 3.71Å; A311-V337 HydrophobicContact CB-CG1 4.13Å; V333-V337 PolarHBondContact O-N 3.09Å; V333-V337 VanDerWaalsContact O-N 3.12Å; L334-V337 PolarHBondContact O-N 2.92Å; V337-G339 VanDerWaalsContact C-N 3.27Å; V337-G339 PolarHBondContact O-N 3.22Å; V337-N340 WeakPolarHBondContact O-CB 3.5Å; V337-N340 PolarHBondContact O-N 2.75Å; V337-N340 VanDerWaalsContact O-N 3.09Å; V337-I341 HydrophobicContact CG1-CG1 4.31Å; V337-I341 WeakPolarHBondContact O-CG1 3.2Å; V337-I341 PolarHBondContact O-N 3.33Å; V337-I351 HydrophobicContact CB-CG1 4.29Å; V337-I351 HydrophobicContact CB-CG2 4.49Å; V337-I351 HydrophobicContact CG1-CD1 4.2Å; V337-I351 HydrophobicContact CG1-CG1 3.93Å; V337-I351 HydrophobicContact CG1-CG2 4.23Å
338A98.1Very high94.6Very high0 Ų037.2 Ų37.20%022%0.224CC..Hα-helixtrans-57.3-41.7176.400000111.8L334 I336 L342 T349 I351 R365L334-A338 WeakPolarHBondContact O-CB 3.28Å; L334-A338 PolarHBondContact O-N 3.19Å; I336-A338 VanDerWaalsContact C-N 3.35Å; I336-A338 PolarHBondContact O-N 3.22Å; A338-L342 VanDerWaalsContact O-CB 3.27Å; A338-L342 WeakPolarHBondContact O-CB 3.43Å; A338-L342 PolarHBondContact O-N 2.83Å; A338-T349 HydrophobicContact CB-CG2 4.45Å; A338-I351 HydrophobicContact CB-CB 4.45Å; A338-I351 HydrophobicContact CB-CG1 3.78Å; A338-R365 HydrophobicContact CB-CB 4.25Å; A338-R365 HydrophobicContact CB-CG 3.89Å
339G96.6Very high94.8Very high26 Ų2633.5 Ų33.527%0.26819%0.185SC..Hα-helixtrans-65.1-40.4174.300000113.3G335 I336 V337 K343G335-G339 PolarHBondContact O-N 3.15Å; I336-G339 PolarHBondContact O-N 2.91Å; V337-G339 VanDerWaalsContact C-N 3.27Å; V337-G339 PolarHBondContact O-N 3.22Å; G339-K343 WeakPolarHBondContact O-CB 3.17Å; G339-K343 PolarHBondContact O-N 2.96Å
340N96.6Very high94.8Very high57 Ų5733.1 Ų33.131%0.30518%0.184SC..Hα-helixtrans-63.6-47.1176.9-71.2-14.3000111.9T308 I336 V337 K343 Q344T308-N340 HydrophobicContact CG2-CB 3.91Å; T308-N340 PolarHBondContact OG1-ND2 3.22Å; I336-N340 PolarHBondContact O-N 3.35Å; V337-N340 WeakPolarHBondContact O-CB 3.5Å; V337-N340 PolarHBondContact O-N 2.75Å; V337-N340 VanDerWaalsContact O-N 3.09Å; N340-K343 PolarHBondContact O-N 3.01Å; N340-Q344 VanDerWaalsContact O-CG 3.31Å; N340-Q344 WeakPolarHBondContact O-CG 2.96Å; N340-Q344 PolarHBondContact O-N 3.03Å
341I97.1Very high95.1Very high0 Ų031.2 Ų31.20%017%0.174CC..Hα-helixtrans-65.5-44.9178.6-60.7-60.1000110.3T308 A311 T312 V315 I324 V337 K343 Q344 T345 T349 I351T308-I341 HydrophobicContact CG2-CD1 4.12Å; A311-I341 HydrophobicContact CB-CD1 4.12Å; A311-I341 HydrophobicContact CB-CG1 4.25Å; T312-I341 VanDerWaalsContact OG1-CD1 3.23Å; T312-I341 WeakPolarHBondContact OG1-CD1 3.41Å; V315-I341 HydrophobicContact CG2-CG2 4.01Å; I324-I341 HydrophobicContact CD1-CG2 4.45Å; V337-I341 HydrophobicContact CG1-CG1 4.31Å; V337-I341 WeakPolarHBondContact O-CG1 3.2Å; V337-I341 PolarHBondContact O-N 3.33Å; I341-K343 VanDerWaalsContact C-N 3.26Å; I341-K343 PolarHBondContact O-N 3.08Å; I341-Q344 PolarHBondContact O-N 2.77Å; I341-T345 HydrophobicContact CG2-CG2 4.09Å; I341-T345 PolarHBondContact O-N 3.18Å; I341-T345 PolarHBondContact O-OG1 3.47Å; I341-T349 HydrophobicContact CB-CG2 3.92Å; I341-T349 HydrophobicContact CG2-CG2 3.82Å; I341-I351 HydrophobicContact CG1-CD1 4.4Å
342L94.8Very high95.3Very high29 Ų2928.3 Ų28.315%0.15216%0.155CC..Hα-helixtrans-55.2-43.1174.3177.9154.9000111.6A338 Q344 G346 H347 R365 S366 I367A338-L342 VanDerWaalsContact O-CB 3.27Å; A338-L342 WeakPolarHBondContact O-CB 3.43Å; A338-L342 PolarHBondContact O-N 2.83Å; L342-Q344 VanDerWaalsContact C-N 3.33Å; L342-Q344 PolarHBondContact O-N 2.93Å; L342-G346 WeakPolarHBondContact O-CA 3.29Å; L342-G346 PolarHBondContact O-N 2.96Å; L342-H347 WeakPolarHBondContact CA-O 3.23Å; L342-R365 HydrophobicContact CD1-CB 3.91Å; L342-R365 WeakPolarHBondContact CD1-O 3.44Å; L342-S366 VanDerWaalsContact CD1-C 3.46Å; L342-I367 HydrophobicContact CD1-CG2 4.09Å; L342-I367 HydrophobicContact CD2-CG2 4.05Å; L342-I367 HydrophobicContact CG-CG2 4.15Å
343K90.4Very high95.6Very high182 Ų18229 Ų2979%0.79116%0.159SC*.Hα-helixtrans-65.6-35.2177.7-175.3177.6178.5179.40112.5G339 N340 I341G339-K343 WeakPolarHBondContact O-CB 3.17Å; G339-K343 PolarHBondContact O-N 2.96Å; N340-K343 PolarHBondContact O-N 3.01Å; I341-K343 VanDerWaalsContact C-N 3.26Å; I341-K343 PolarHBondContact O-N 3.08Å
344Q88.6Confident95.7Very high114 Ų11430.7 Ų30.753%0.53317%0.168SC..Hα-helixtrans-76.9-39.2-179.8-72.3172.915.200112.7T312 N340 I341 L342T312-Q344 PolarHBondContact OG1-OE1 3.46Å; N340-Q344 VanDerWaalsContact O-CG 3.31Å; N340-Q344 WeakPolarHBondContact O-CG 2.96Å; N340-Q344 PolarHBondContact O-N 3.03Å; I341-Q344 PolarHBondContact O-N 2.77Å; L342-Q344 VanDerWaalsContact C-N 3.33Å; L342-Q344 PolarHBondContact O-N 2.93Å
345T90.9Very high95.5Very high41 Ų4132.8 Ų32.825%0.25218%0.179SC..Hα-helixtrans-100.1-18-173.970.80000113.3V315 H322 I341 H347V315-T345 HydrophobicContact CG1-CG2 4.13Å; V315-T345 HydrophobicContact CG2-CG2 4.39Å; H322-T345 PolarHBondContact CD2-OG1 3.47Å; H322-T345 VanDerWaalsContact CD2-OG1 3.29Å; H322-T345 WeakPolarHBondContact NE2-CB 3.46Å; H322-T345 PolarHBondContact NE2-OG1 2.81Å; I341-T345 HydrophobicContact CG2-CG2 4.09Å; I341-T345 PolarHBondContact O-N 3.18Å; I341-T345 PolarHBondContact O-OG1 3.47Å; T345-H347 PolarHBondContact O-N 2.64Å; T345-H347 PolarHBondContact O-ND1 2.87Å; T345-H347 PolarHBondContact OG1-N 3.36Å
346G89.9Confident95.4Very high34 Ų3440.7 Ų40.735%0.35121%0.214SC..SBendtrans74.64.3-172.300000114.3L342L342-G346 WeakPolarHBondContact O-CA 3.29Å; L342-G346 PolarHBondContact O-N 2.96Å
347H93.2Very high95.3Very high55 Ų5544.6 Ų44.626%0.25524%0.235SC..SBendtrans-111.8146.2-172.4-68.878.1000112.8A320 L342 T345 T349A320-H347 PolarHBondContact O-CD2 2.85Å; L342-H347 WeakPolarHBondContact CA-O 3.23Å; T345-H347 PolarHBondContact O-N 2.64Å; T345-H347 PolarHBondContact O-ND1 2.87Å; T345-H347 PolarHBondContact OG1-N 3.36Å; H347-T349 PolarHBondContact O-N 3.19Å; H347-T349 PolarHBondContact O-OG1 2.81Å
348P95.9Very high95.1Very high0 Ų046.2 Ų46.20%025%0.252CS..  trans-50.7133.9170.9-24.833.4000111.3V321 H322 R365 I367 L370 L420V321-P348 WeakPolarHBondContact CA-O 3.28Å; V321-P348 HydrophobicContact CG1-CB 4.21Å; V321-P348 HydrophobicContact CG2-CB 4.24Å; H322-P348 PolarHBondContact N-O 2.86Å; P348-R365 WeakPolarHBondContact CA-O 3.23Å; P348-I367 HydrophobicContact CG-CG1 4.16Å; P348-L370 HydrophobicContact CB-CD2 3.81Å; P348-L370 HydrophobicContact CG-CB 4.23Å; P348-L370 HydrophobicContact CG-CD2 3.54Å; P348-L420 HydrophobicContact CG-CD2 4.26Å
349T97.8Very high95Very high0 Ų048.3 Ų48.30%026%0.264CS..EExtended strand (participates in β ladder)trans-136134.7-171.1-63.60000111.5H322 A338 I341 H347 I351 G364 R365H322-T349 HydrophobicContact CB-CG2 4.12Å; H322-T349 CarbonylContact O-C 3.03Å; H322-T349 WeakPolarHBondContact O-CA 3.4Å; A338-T349 HydrophobicContact CB-CG2 4.45Å; I341-T349 HydrophobicContact CB-CG2 3.92Å; I341-T349 HydrophobicContact CG2-CG2 3.82Å; H347-T349 PolarHBondContact O-N 3.19Å; H347-T349 PolarHBondContact O-OG1 2.81Å; T349-I351 HydrophobicContact CG2-CD1 3.63Å; T349-I351 HydrophobicContact CG2-CG1 4.03Å; T349-G364 CarbonylContact O-C 3.56Å; T349-G364 VanDerWaalsContact O-CA 3.23Å; T349-G364 WeakPolarHBondContact O-CA 3.31Å; T349-R365 PolarHBondContact N-O 2.98Å; T349-R365 PolarHBondContact O-N 2.7Å
350I98.5Very high95Very high0 Ų047 Ų470%025%0.252CS..EExtended strand (participates in β ladder)trans-120.7124.9171.4-55.5176.9000108.5H322 L323 I324 L352 L372 L376 L395 M409H322-I350 PolarHBondContact O-N 3.37Å; L323-I350 HydrophobicContact CD1-CB 3.65Å; L323-I350 HydrophobicContact CD1-CD1 4.28Å; L323-I350 HydrophobicContact CD1-CG2 3.61Å; I324-I350 PolarHBondContact N-O 3.21Å; I350-L352 HydrophobicContact CG2-CD2 4.3Å; I350-L352 HydrophobicContact CG2-CG 4.26Å; I350-L372 HydrophobicContact CD1-CD1 4.27Å; I350-L372 HydrophobicContact CG1-CD2 4.45Å; I350-L376 HydrophobicContact CD1-CD1 3.97Å; I350-L376 HydrophobicContact CD1-CD2 4.09Å; I350-L395 HydrophobicContact CD1-CD2 4.38Å; I350-L395 HydrophobicContact CG2-CD2 4.13Å; I350-M409 HydrophobicContact CD1-CE 4.19Å; I350-M409 HydrophobicContact CD1-SD 3.68Å
351I98.6Very high95Very high0 Ų049.3 Ų49.30%026%0.259CS..EExtended strand (participates in β ladder)trans-110127.3176.6-55.8-58.6000109A311 I324 W329 L334 V337 A338 I341 T349 G362 S363A311-I351 HydrophobicContact CB-CD1 4.28Å; I324-I351 HydrophobicContact CB-CD1 3.93Å; I324-I351 HydrophobicContact CD1-CD1 4.09Å; I324-I351 HydrophobicContact CG1-CD1 4.42Å; I324-I351 WeakPolarHBondContact O-CA 3.33Å; W329-I351 HydrophobicContact CE3-CG2 3.75Å; W329-I351 HydrophobicContact CZ3-CG2 3.62Å; L334-I351 HydrophobicContact CB-CB 4.24Å; L334-I351 HydrophobicContact CB-CG2 4.1Å; L334-I351 HydrophobicContact CD2-CG2 3.79Å; L334-I351 HydrophobicContact CG-CG2 4.38Å; V337-I351 HydrophobicContact CB-CG1 4.29Å; V337-I351 HydrophobicContact CB-CG2 4.49Å; V337-I351 HydrophobicContact CG1-CD1 4.2Å; V337-I351 HydrophobicContact CG1-CG1 3.93Å; V337-I351 HydrophobicContact CG1-CG2 4.23Å; A338-I351 HydrophobicContact CB-CB 4.45Å; A338-I351 HydrophobicContact CB-CG1 3.78Å; I341-I351 HydrophobicContact CG1-CD1 4.4Å; T349-I351 HydrophobicContact CG2-CD1 3.63Å; T349-I351 HydrophobicContact CG2-CG1 4.03Å; I351-G362 CarbonylContact O-C 3.58Å; I351-G362 WeakPolarHBondContact O-CA 3.47Å; I351-S363 PolarHBondContact N-O 3.17Å; I351-S363 PolarHBondContact O-N 3.01Å
352L98.3Very high94.9Very high0 Ų049.8 Ų49.80%026%0.263CS..EExtended strand (participates in β ladder)trans-119.5136.6-178.2-64.3169.7000111.3L323 I324 A325 A326 W329 I350 A360 K361 L395 M397 I402L323-L352 HydrophobicContact CD1-CD1 3.59Å; L323-L352 HydrophobicContact CD1-CG 4.17Å; L323-L352 HydrophobicContact CG-CD1 4.21Å; I324-L352 PolarHBondContact O-N 3.26Å; A325-L352 VanDerWaalsContact CA-O 3.31Å; A325-L352 WeakPolarHBondContact CA-O 3.42Å; A325-L352 HydrophobicContact CB-CB 3.72Å; A325-L352 HydrophobicContact CB-CD1 4.18Å; A326-L352 PolarHBondContact N-O 3.21Å; W329-L352 VanDerWaalsContact CE3-O 3.3Å; I350-L352 HydrophobicContact CG2-CD2 4.3Å; I350-L352 HydrophobicContact CG2-CG 4.26Å; L352-A360 HydrophobicContact CB-CB 4.35Å; L352-A360 HydrophobicContact CD1-CB 4.27Å; L352-A360 HydrophobicContact CD2-CB 4.37Å; L352-K361 CarbonylContact C-O 3.56Å; L352-K361 WeakPolarHBondContact CA-O 3.42Å; L352-L395 HydrophobicContact CD2-CD1 3.46Å; L352-L395 VanDerWaalsContact CD2-CD1 3.46Å; L352-L395 HydrophobicContact CD2-CG 4.2Å; L352-M397 HydrophobicContact CD1-SD 4.06Å; L352-I402 HydrophobicContact CD1-CD1 4.05Å; L352-I402 HydrophobicContact CD1-CG1 3.94Å
353S97.8Very high95Very high17 Ų1749.8 Ų49.812%0.11927%0.266CS..EExtended strand (participates in β ladder)trans-99.8130.9160.9-177.70000109.6A326 W329 A360 K361A326-S353 CarbonylContact O-C 3.57Å; A326-S353 WeakPolarHBondContact O-CA 2.99Å; W329-S353 WeakPolarHBondContact O-CB 3.34Å; W329-S353 PolarHBondContact O-OG 2.78Å; S353-A360 CarbonylContact O-C 3.58Å; S353-A360 WeakPolarHBondContact O-CA 3.26Å; S353-K361 PolarHBondContact N-O 3Å; S353-K361 PolarHBondContact O-N 3.37Å
354I97.8Very high95.4Very high34 Ų3441.1 Ų41.117%0.17423%0.228CC..EExtended strand (participates in β ladder)trans-95.3129.1174.8-57.3170.5000108.9A325 A326 E327 A360 A399 I402A325-I354 HydrophobicContact CB-CD1 3.98Å; A325-I354 HydrophobicContact CB-CG1 4.26Å; A326-I354 PolarHBondContact O-N 3.45Å; E327-I354 HydrophobicContact CG-CB 4Å; E327-I354 HydrophobicContact CG-CG2 4.25Å; I354-A360 HydrophobicContact CG1-CB 4.14Å; I354-A399 HydrophobicContact CD1-CB 4.28Å; I354-A399 HydrophobicContact CG1-CB 4.29Å; I354-A399 HydrophobicContact CG2-CB 3.93Å; I354-I402 HydrophobicContact CD1-CD1 3.96Å; I354-I402 HydrophobicContact CG1-CD1 4.29Å
355D94.4Very high95.7Very high45 Ų4539.5 Ų39.524%0.24122%0.217CC..PPolyproline II helixtrans-90.8169.7173.874.820000112.8N357 G358 V359D355-N357 PolarHBondContact O-N 2.97Å; D355-N357 VanDerWaalsContact O-N 3.09Å; D355-N357 WeakPolarHBondContact OD1-CA 3.4Å; D355-N357 WeakPolarHBondContact OD1-CB 3.44Å; D355-N357 PolarHBondContact OD1-N 3.17Å; D355-G358 PolarHBondContact O-N 3.19Å; D355-G358 PolarHBondContact OD1-N 3.46Å; D355-V359 PolarHBondContact N-O 3.21Å; D355-V359 PolarHBondContact OD1-N 3.24Å
356E92.8Very high95.9Very high174 Ų17438.2 Ų38.281%0.81321%0.21SC*.THydrogen-bonded Turntrans-62.2-15.4-178.862-87.8-165.300114.8G358E356-G358 VanDerWaalsContact C-N 3.34Å
357N93.9Very high96Very high129 Ų12937.4 Ų37.469%0.6920%0.198SC*.THydrogen-bonded Turntrans-92.83.6177.7-58.7-59.3000112.3D355 V359D355-N357 PolarHBondContact O-N 2.97Å; D355-N357 VanDerWaalsContact O-N 3.09Å; D355-N357 WeakPolarHBondContact OD1-CA 3.4Å; D355-N357 WeakPolarHBondContact OD1-CB 3.44Å; D355-N357 PolarHBondContact OD1-N 3.17Å; N357-V359 VanDerWaalsContact C-N 3.35Å
358G95Very high95.8Very high34 Ų3443.4 Ų43.435%0.35123%0.226SC..SBendtrans75.124.2-177.300000113D355 E356 A399D355-G358 PolarHBondContact O-N 3.19Å; D355-G358 PolarHBondContact OD1-N 3.46Å; E356-G358 VanDerWaalsContact C-N 3.34Å; G358-A399 VanDerWaalsContact O-CB 3.23Å; G358-A399 WeakPolarHBondContact O-CB 3.39Å; G358-A399 PolarHBondContact O-N 2.85Å
359V96.2Very high95.5Very high43 Ų4345.8 Ų45.826%0.26125%0.245SC..EExtended strand (participates in β ladder)trans-99.9128.9172.9179.70000108.9D355 N357 T396D355-V359 PolarHBondContact N-O 3.21Å; D355-V359 PolarHBondContact OD1-N 3.24Å; N357-V359 VanDerWaalsContact C-N 3.35Å; V359-T396 HydrophobicContact CG1-CG2 3.34Å
360A97.5Very high95.3Very high0 Ų046.1 Ų46.10%025%0.247CC..EExtended strand (participates in β ladder)trans-100.1124.5176.200000110.4L352 S353 I354 T396 M397 A399 I402L352-A360 HydrophobicContact CB-CB 4.35Å; L352-A360 HydrophobicContact CD1-CB 4.27Å; L352-A360 HydrophobicContact CD2-CB 4.37Å; S353-A360 CarbonylContact O-C 3.58Å; S353-A360 WeakPolarHBondContact O-CA 3.26Å; I354-A360 HydrophobicContact CG1-CB 4.14Å; A360-T396 CarbonylContact O-C 3.44Å; A360-T396 VanDerWaalsContact O-CA 3.29Å; A360-T396 WeakPolarHBondContact O-CA 3.21Å; A360-M397 HydrophobicContact CB-CG 3.94Å; A360-M397 PolarHBondContact N-O 3.38Å; A360-M397 PolarHBondContact O-N 3.3Å; A360-A399 HydrophobicContact CB-CB 4.4Å; A360-I402 HydrophobicContact CB-CD1 4.06Å
361K95.4Very high95.1Very high105 Ų10550.1 Ų50.146%0.45727%0.268SS..EExtended strand (participates in β ladder)trans-116138174.7-66.8-177.9-177.51780109.6L334 L352 S353 L395 T396L334-K361 WeakPolarHBondContact CD1-O 3.23Å; L352-K361 CarbonylContact C-O 3.56Å; L352-K361 WeakPolarHBondContact CA-O 3.42Å; S353-K361 PolarHBondContact N-O 3Å; S353-K361 PolarHBondContact O-N 3.37Å; K361-L395 WeakPolarHBondContact CA-O 3.47Å; K361-T396 HydrophobicContact CG-CG2 3.82Å
362G95.6Very high95Very high9 Ų950.1 Ų50.19%0.09327%0.268CS..EExtended strand (participates in β ladder)trans-159.7177-174.200000116.2I351 G394 L395I351-G362 CarbonylContact O-C 3.58Å; I351-G362 WeakPolarHBondContact O-CA 3.47Å; G362-G394 WeakPolarHBondContact O-CA 3.36Å; G362-L395 PolarHBondContact N-O 2.73Å; G362-L395 PolarHBondContact O-N 3.26Å; G362-L395 VanDerWaalsContact O-N 3.08Å
363S97Very high94.8Very high30 Ų3053.1 Ų53.121%0.2128%0.281CS..EExtended strand (participates in β ladder)trans-133141.1177.2-61.70000109.9I351 I393I351-S363 PolarHBondContact N-O 3.17Å; I351-S363 PolarHBondContact O-N 3.01Å; S363-I393 VanDerWaalsContact CA-O 3.31Å; S363-I393 WeakPolarHBondContact CA-O 3.26Å
364G97.6Very high94.6Very high0 Ų053.4 Ų53.40%029%0.287CS..EExtended strand (participates in β ladder)trans-116.8151.3176.900000112.5T349 A392 I393T349-G364 CarbonylContact O-C 3.56Å; T349-G364 VanDerWaalsContact O-CA 3.23Å; T349-G364 WeakPolarHBondContact O-CA 3.31Å; G364-A392 WeakPolarHBondContact O-CA 3Å; G364-I393 PolarHBondContact N-O 3.13Å; G364-I393 PolarHBondContact O-N 3.12Å; G364-I393 VanDerWaalsContact O-N 3.15Å
365R96.7Very high94.6Very high80 Ų8051.8 Ų51.830%0.30228%0.279SS..EExtended strand (participates in β ladder)trans-131.9144.1171.4-66.3-64.8-178.4-91.98.4109.5A338 L342 P348 T349 A391A338-R365 HydrophobicContact CB-CB 4.25Å; A338-R365 HydrophobicContact CB-CG 3.89Å; L342-R365 HydrophobicContact CD1-CB 3.91Å; L342-R365 WeakPolarHBondContact CD1-O 3.44Å; P348-R365 WeakPolarHBondContact CA-O 3.23Å; T349-R365 PolarHBondContact N-O 2.98Å; T349-R365 PolarHBondContact O-N 2.7Å; R365-A391 CarbonylContact C-O 3.57Å; R365-A391 VanDerWaalsContact CA-O 3.31Å; R365-A391 WeakPolarHBondContact CA-O 3.38Å
366S94.8Very high94.7Very high14 Ų1449.7 Ų49.710%0.09827%0.268CS..  trans-130.5160.9-177.2-152.60000112.6L342 L370 A391L342-S366 VanDerWaalsContact CD1-C 3.46Å; S366-L370 WeakPolarHBondContact CB-O 3.48Å; S366-L370 PolarHBondContact OG-O 3.49Å; S366-A391 PolarHBondContact N-O 3.07Å
367I91.7Very high94.8Very high17 Ų1745 Ų459%0.08725%0.248CC..  trans-90.7162.316762.2172.8000109.7L342 P348 A369 L370 L420L342-I367 HydrophobicContact CD1-CG2 4.09Å; L342-I367 HydrophobicContact CD2-CG2 4.05Å; L342-I367 HydrophobicContact CG-CG2 4.15Å; P348-I367 HydrophobicContact CG-CG1 4.16Å; I367-A369 HydrophobicContact CD1-CB 3.96Å; I367-A369 HydrophobicContact CG1-CB 4.12Å; I367-A369 PolarHBondContact O-N 3.03Å; I367-A369 VanDerWaalsContact O-N 3.11Å; I367-L370 PolarHBondContact O-N 3.25Å; I367-L370 VanDerWaalsContact O-O 3.12Å; I367-L420 HydrophobicContact CD1-CD2 3.88Å; I367-L420 HydrophobicContact CG1-CD2 4.35Å
368E88.6Confident94.8Very high181 Ų18143.1 Ų43.185%0.84624%0.241SC*.THydrogen-bonded Turntrans-54.7-32.5-179.2-171.3-177.4179.500113.3L370E368-L370 PolarHBondContact O-N 3.03Å; E368-L370 VanDerWaalsContact O-N 3.13Å
369A90.2Very high94.8Very high50 Ų5041.7 Ų41.741%0.41323%0.226SC..THydrogen-bonded Turntrans-64.5-14.9179.800000114.2I367 I418 L420I367-A369 HydrophobicContact CD1-CB 3.96Å; I367-A369 HydrophobicContact CG1-CB 4.12Å; I367-A369 PolarHBondContact O-N 3.03Å; I367-A369 VanDerWaalsContact O-N 3.11Å; A369-I418 WeakPolarHBondContact O-CG2 3.39Å; A369-L420 HydrophobicContact CB-CD2 4.36Å
370L93.5Very high94.6Very high7 Ų746.8 Ų46.84%0.03724%0.24CC..  trans-134.3115.6-179.3179.169.4000111.7V321 P348 S366 I367 E368 L372 M375 Y412 I413 I418 L420V321-L370 HydrophobicContact CG2-CD2 4.14Å; P348-L370 HydrophobicContact CB-CD2 3.81Å; P348-L370 HydrophobicContact CG-CB 4.23Å; P348-L370 HydrophobicContact CG-CD2 3.54Å; S366-L370 WeakPolarHBondContact CB-O 3.48Å; S366-L370 PolarHBondContact OG-O 3.49Å; I367-L370 PolarHBondContact O-N 3.25Å; I367-L370 VanDerWaalsContact O-O 3.12Å; E368-L370 PolarHBondContact O-N 3.03Å; E368-L370 VanDerWaalsContact O-N 3.13Å; L370-L372 HydrophobicContact CD2-CD1 4.49Å; L370-L372 PolarHBondContact O-N 2.62Å; L370-M375 HydrophobicContact CD1-CB 4.33Å; L370-M375 HydrophobicContact CD1-SD 4.24Å; L370-M375 HydrophobicContact CD2-CE 3.98Å; L370-M375 HydrophobicContact CD2-SD 4.34Å; L370-Y412 HydrophobicContact CD1-CE1 4.5Å; L370-I413 HydrophobicContact CD1-CD1 3.75Å; L370-I413 HydrophobicContact CD2-CD1 3.88Å; L370-I413 HydrophobicContact CG-CD1 4.42Å; L370-I418 HydrophobicContact CD1-CD1 3.61Å; L370-L420 HydrophobicContact CB-CD2 4.3Å
371D94.9Very high94.5Very high83 Ų8351.4 Ų51.444%0.44427%0.272SS..  trans-69.893.1160.6178.23.6000109.6F373 G374 M375 A390D371-F373 VanDerWaalsContact C-N 3.32Å; D371-F373 PolarHBondContact O-N 3.28Å; D371-F373 PolarHBondContact OD1-N 3.14Å; D371-G374 VanDerWaalsContact CG-N 3.31Å; D371-G374 PolarHBondContact O-N 2.92Å; D371-G374 PolarHBondContact OD1-N 3.13Å; D371-G374 WeakPolarHBondContact OD2-CA 3.28Å; D371-M375 PolarHBondContact O-N 2.96Å; D371-A390 HydrophobicContact CB-CB 4.19Å; D371-A390 WeakPolarHBondContact OD1-CA 3.23Å; D371-A390 WeakPolarHBondContact OD1-CB 3.37Å
372L95.6Very high94.5Very high0 Ų047.8 Ų47.80%026%0.257CS..Hα-helixtrans-66.1-36.4-177.5179.361.8000111.6I350 L370 M375 L376 A390 I393I350-L372 HydrophobicContact CD1-CD1 4.27Å; I350-L372 HydrophobicContact CG1-CD2 4.45Å; L370-L372 HydrophobicContact CD2-CD1 4.49Å; L370-L372 PolarHBondContact O-N 2.62Å; L372-M375 HydrophobicContact CD1-CE 3.58Å; L372-L376 HydrophobicContact CD1-CD1 3.89Å; L372-L376 HydrophobicContact CD1-CG 4.08Å; L372-L376 HydrophobicContact CG-CD1 3.92Å; L372-L376 HydrophobicContact CG-CG 4.48Å; L372-L376 WeakPolarHBondContact O-CB 3.49Å; L372-L376 VanDerWaalsContact O-CG 3.24Å; L372-L376 WeakPolarHBondContact O-CG 3.32Å; L372-L376 PolarHBondContact O-N 3.12Å; L372-A390 WeakPolarHBondContact CB-O 3.43Å; L372-A390 PolarHBondContact N-O 2.87Å; L372-I393 HydrophobicContact CD2-CG1 3.71Å; L372-I393 HydrophobicContact CG-CG1 4.04Å; L372-I393 HydrophobicContact CG-CG2 4.39Å
373F94Very high94.4Very high63 Ų6348.4 Ų48.428%0.27626%0.257SS..Hα-helixtrans-65.2-48.1175.5179.2-88.6000110.8D371 M375 L376 N377 F386 G388 H389 I393D371-F373 VanDerWaalsContact C-N 3.32Å; D371-F373 PolarHBondContact O-N 3.28Å; D371-F373 PolarHBondContact OD1-N 3.14Å; F373-M375 PolarHBondContact O-N 2.98Å; F373-L376 PolarHBondContact O-N 3.08Å; F373-N377 VanDerWaalsContact O-CB 3.27Å; F373-N377 WeakPolarHBondContact O-CB 3.19Å; F373-N377 PolarHBondContact O-N 2.87Å; F373-F386 AromaticContact CD2-CE1 3.87Å; F373-F386 HydrophobicContact CD2-CE1 3.87Å; F373-F386 HydrophobicContact CD2-CE2 4.17Å; F373-F386 AromaticContact CD2-CZ 3.43Å; F373-F386 HydrophobicContact CD2-CZ 3.43Å; F373-F386 VanDerWaalsContact CD2-CZ 3.43Å; F373-F386 HydrophobicContact CE2-CD1 4.42Å; F373-F386 AromaticContact CE2-CE1 3.64Å; F373-F386 HydrophobicContact CE2-CE1 3.64Å; F373-F386 AromaticContact CE2-CZ 3.71Å; F373-F386 HydrophobicContact CE2-CZ 3.71Å; F373-F386 HydrophobicContact CG-CE1 4.5Å; F373-F386 HydrophobicContact CG-CZ 4.01Å; F373-F386 HydrophobicContact CZ-CE1 4.11Å; F373-F386 HydrophobicContact CZ-CZ 4.49Å; F373-G388 WeakPolarHBondContact CD2-O 3.46Å; F373-G388 WeakPolarHBondContact CE2-O 3.31Å; F373-H389 WeakPolarHBondContact CB-O 3.45Å; F373-I393 HydrophobicContact CB-CG2 3.87Å; F373-I393 HydrophobicContact CD2-CG2 4.17Å
374G94.5Very high94.2Very high23 Ų2351.7 Ų51.724%0.23728%0.276CS..Hα-helixtrans-56-48.6176.500000112.2D371 N377D371-G374 VanDerWaalsContact CG-N 3.31Å; D371-G374 PolarHBondContact O-N 2.92Å; D371-G374 PolarHBondContact OD1-N 3.13Å; D371-G374 WeakPolarHBondContact OD2-CA 3.28Å; G374-N377 PolarHBondContact O-N 2.87Å
375M96.9Very high93.8Very high1 Ų157.9 Ų57.91%0.00531%0.305CS..Hα-helixtrans-59-54.2176178.4-179.36700111.4V321 L370 D371 L372 F373 N377 T378 M379 M409 Y412 I413V321-M375 HydrophobicContact CG2-CE 4.31Å; L370-M375 HydrophobicContact CD1-CB 4.33Å; L370-M375 HydrophobicContact CD1-SD 4.24Å; L370-M375 HydrophobicContact CD2-CE 3.98Å; L370-M375 HydrophobicContact CD2-SD 4.34Å; D371-M375 PolarHBondContact O-N 2.96Å; L372-M375 HydrophobicContact CD1-CE 3.58Å; F373-M375 PolarHBondContact O-N 2.98Å; M375-N377 VanDerWaalsContact C-N 3.27Å; M375-N377 PolarHBondContact O-N 3.08Å; M375-T378 WeakPolarHBondContact O-CB 3.02Å; M375-T378 PolarHBondContact O-N 2.8Å; M375-T378 VanDerWaalsContact O-N 3.08Å; M375-T378 PolarHBondContact O-OG1 2.88Å; M375-M379 HydrophobicContact CG-CE 3.57Å; M375-M379 HydrophobicContact SD-CE 4.23Å; M375-M409 HydrophobicContact CE-CB 4.08Å; M375-M409 HydrophobicContact CE-CG 3.74Å; M375-M409 HydrophobicContact CE-SD 3.87Å; M375-M409 HydrophobicContact SD-CB 4.23Å; M375-M409 HydrophobicContact SD-CG 4.26Å; M375-Y412 HydrophobicContact CB-CD1 4.13Å; M375-Y412 HydrophobicContact CB-CE1 3.85Å; M375-Y412 HydrophobicContact CG-CD1 3.43Å; M375-Y412 VanDerWaalsContact CG-CD1 3.43Å; M375-Y412 HydrophobicContact CG-CD2 4.24Å; M375-Y412 HydrophobicContact CG-CE1 3.69Å; M375-Y412 HydrophobicContact CG-CE2 4.47Å; M375-Y412 HydrophobicContact CG-CG 3.73Å; M375-Y412 HydrophobicContact SD-CD1 3.51Å; M375-Y412 VanDerWaalsContact SD-CD1 3.51Å; M375-Y412 HydrophobicContact SD-CE1 4.17Å; M375-Y412 HydrophobicContact SD-CG 4.01Å; M375-I413 HydrophobicContact SD-CD1 4.17Å
376L96.7Very high93.3Very high0 Ų054.7 Ų54.70%029%0.293CS..Hα-helixtrans-65.3-30.7-176.9-68.6172.5000112.1I350 L372 F373 T378 M379 F383 F386 I393 L395 L405 M409I350-L376 HydrophobicContact CD1-CD1 3.97Å; I350-L376 HydrophobicContact CD1-CD2 4.09Å; L372-L376 HydrophobicContact CD1-CD1 3.89Å; L372-L376 HydrophobicContact CD1-CG 4.08Å; L372-L376 HydrophobicContact CG-CD1 3.92Å; L372-L376 HydrophobicContact CG-CG 4.48Å; L372-L376 WeakPolarHBondContact O-CB 3.49Å; L372-L376 VanDerWaalsContact O-CG 3.24Å; L372-L376 WeakPolarHBondContact O-CG 3.32Å; L372-L376 PolarHBondContact O-N 3.12Å; F373-L376 PolarHBondContact O-N 3.08Å; L376-T378 PolarHBondContact O-N 2.9Å; L376-M379 CarbonylContact O-C 3.4Å; L376-M379 WeakPolarHBondContact O-CA 3.44Å; L376-M379 WeakPolarHBondContact O-CB 3.48Å; L376-M379 PolarHBondContact O-N 2.81Å; L376-F383 HydrophobicContact CB-CE2 4.26Å; L376-F383 HydrophobicContact CB-CZ 4.21Å; L376-F383 HydrophobicContact CD2-CZ 3.84Å; L376-F383 WeakPolarHBondContact O-CE2 3.33Å; L376-F386 HydrophobicContact CB-CD2 4.41Å; L376-F386 HydrophobicContact CB-CE1 4.3Å; L376-F386 HydrophobicContact CB-CE2 3.56Å; L376-F386 HydrophobicContact CB-CZ 3.5Å; L376-F386 VanDerWaalsContact CB-CZ 3.5Å; L376-F386 HydrophobicContact CD1-CE2 3.74Å; L376-F386 HydrophobicContact CD1-CZ 4.4Å; L376-F386 HydrophobicContact CG-CE2 4.33Å; L376-I393 HydrophobicContact CD1-CB 4.43Å; L376-I393 HydrophobicContact CD1-CD1 3.75Å; L376-I393 HydrophobicContact CD1-CG1 3.68Å; L376-I393 HydrophobicContact CD1-CG2 4.49Å; L376-L395 HydrophobicContact CD1-CD2 4.43Å; L376-L405 HydrophobicContact CD2-CD1 4.14Å; L376-M409 HydrophobicContact CD2-CG 4.29Å; L376-M409 HydrophobicContact CD2-SD 3.7Å
377N93.8Very high92.7Very high77 Ų7755.3 Ų55.341%0.41230%0.302SS..Hα-helixtrans-62.1-25.5175.7-168.556.1000112.7F373 G374 M375 M379 F386F373-N377 VanDerWaalsContact O-CB 3.27Å; F373-N377 WeakPolarHBondContact O-CB 3.19Å; F373-N377 PolarHBondContact O-N 2.87Å; G374-N377 PolarHBondContact O-N 2.87Å; M375-N377 VanDerWaalsContact C-N 3.27Å; M375-N377 PolarHBondContact O-N 3.08Å; N377-M379 PolarHBondContact O-N 2.95Å; N377-F386 HydrophobicContact CB-CE1 3.96Å
378T94.9Very high92.4Very high88 Ų8856.3 Ų56.354%0.5432%0.317SS..THydrogen-bonded Turntrans-71.7-12.9171.574.40000113.4M375 L376 Y412M375-T378 WeakPolarHBondContact O-CB 3.02Å; M375-T378 PolarHBondContact O-N 2.8Å; M375-T378 VanDerWaalsContact O-N 3.08Å; M375-T378 PolarHBondContact O-OG1 2.88Å; L376-T378 PolarHBondContact O-N 2.9Å; T378-Y412 HydrophobicContact CG2-CE2 4.37Å
379M95.6Very high92.1Very high4 Ų453.2 Ų53.22%0.0230%0.302CS..THydrogen-bonded Turntrans-115.123.4-174.4-44.4-178.4-174.900111.2M375 L376 N377 S381 E382 F383 L405 M408 M409 Y412M375-M379 HydrophobicContact CG-CE 3.57Å; M375-M379 HydrophobicContact SD-CE 4.23Å; L376-M379 CarbonylContact O-C 3.4Å; L376-M379 WeakPolarHBondContact O-CA 3.44Å; L376-M379 WeakPolarHBondContact O-CB 3.48Å; L376-M379 PolarHBondContact O-N 2.81Å; N377-M379 PolarHBondContact O-N 2.95Å; M379-S381 PolarHBondContact O-N 2.6Å; M379-E382 PolarHBondContact O-N 3.24Å; M379-F383 HydrophobicContact CB-CE2 4.32Å; M379-F383 HydrophobicContact CB-CZ 4.41Å; M379-F383 VanDerWaalsContact O-CE2 3.29Å; M379-F383 WeakPolarHBondContact O-CE2 3.49Å; M379-L405 HydrophobicContact CB-CD1 4.25Å; M379-L405 HydrophobicContact SD-CD1 3.82Å; M379-M408 HydrophobicContact CB-CE 3.84Å; M379-M408 HydrophobicContact CE-CB 4.16Å; M379-M408 HydrophobicContact CG-CE 3.76Å; M379-M408 HydrophobicContact SD-CB 3.71Å; M379-M408 HydrophobicContact SD-CE 4.35Å; M379-M409 HydrophobicContact CE-CG 4.23Å; M379-M409 HydrophobicContact SD-CG 3.85Å; M379-Y412 HydrophobicContact CE-CD2 4.26Å; M379-Y412 HydrophobicContact CE-CG 4.15Å
380R92Very high92Very high150 Ų15053.1 Ų53.157%0.56630%0.301SS*.G310 helixtrans-59.3-22.8-168.6-153172.1-155.8-85.3-2.6114.6E382 F383R380-E382 PolarHBondContact O-N 2.67Å; R380-F383 PolarHBondContact O-N 3.12Å
381S94.7Very high91.8Very high97 Ų9755.5 Ų55.568%0.67832%0.322SS*.G310 helixtrans-62-23.3176.1520000113.5M379 F383M379-S381 PolarHBondContact O-N 2.6Å; S381-F383 VanDerWaalsContact C-N 3.34Å
382E95.5Very high91.6Very high29 Ų2953.1 Ų53.114%0.13631%0.313CS..G310 helixtrans-83.1-13.1-175.8-53.6-4611900113M379 R380 M397 N401 M408M379-E382 PolarHBondContact O-N 3.24Å; R380-E382 PolarHBondContact O-N 2.67Å; E382-M397 VanDerWaalsContact O-CB 3.23Å; E382-M397 WeakPolarHBondContact O-CB 3.36Å; E382-N401 PolarHBondContact OE2-ND2 3.47Å; E382-M408 HydrophobicContact CG-SD 4.1Å
383F94.2Very high91.5Very high22 Ų2253.4 Ų53.410%0.09632%0.315CS..  trans-108.9142.9-174.9-42.8-63.2000112.2L376 M379 R380 S381 F386 L395 T396 M397 L405L376-F383 HydrophobicContact CB-CE2 4.26Å; L376-F383 HydrophobicContact CB-CZ 4.21Å; L376-F383 HydrophobicContact CD2-CZ 3.84Å; L376-F383 WeakPolarHBondContact O-CE2 3.33Å; M379-F383 HydrophobicContact CB-CE2 4.32Å; M379-F383 HydrophobicContact CB-CZ 4.41Å; M379-F383 VanDerWaalsContact O-CE2 3.29Å; M379-F383 WeakPolarHBondContact O-CE2 3.49Å; R380-F383 PolarHBondContact O-N 3.12Å; S381-F383 VanDerWaalsContact C-N 3.34Å; F383-F386 HydrophobicContact CB-CB 3.94Å; F383-F386 HydrophobicContact CD2-CB 3.76Å; F383-F386 HydrophobicContact CD2-CD1 4.41Å; F383-F386 HydrophobicContact CD2-CD2 4.4Å; F383-F386 AromaticContact CD2-CG 3.94Å; F383-F386 HydrophobicContact CD2-CG 3.94Å; F383-F386 HydrophobicContact CE2-CD2 4.48Å; F383-F386 HydrophobicContact CE2-CG 4.32Å; F383-F386 HydrophobicContact CG-CB 3.94Å; F383-F386 HydrophobicContact CG-CG 4.47Å; F383-L395 HydrophobicContact CD1-CB 4.14Å; F383-L395 HydrophobicContact CD1-CD1 4.16Å; F383-L395 HydrophobicContact CD1-CD2 4.24Å; F383-L395 HydrophobicContact CD1-CG 4.43Å; F383-L395 HydrophobicContact CE1-CB 4.49Å; F383-L395 HydrophobicContact CE1-CD1 4.38Å; F383-L395 HydrophobicContact CE1-CD2 3.82Å; F383-L395 HydrophobicContact CE1-CG 4.48Å; F383-T396 CarbonylContact C-O 3.57Å; F383-T396 WeakPolarHBondContact CA-O 3.4Å; F383-T396 WeakPolarHBondContact CB-O 3.47Å; F383-M397 HydrophobicContact CD1-CB 4.19Å; F383-L405 HydrophobicContact CE1-CD1 4.09Å; F383-L405 HydrophobicContact CE1-CD2 3.7Å; F383-L405 HydrophobicContact CZ-CD1 3.82Å; F383-L405 HydrophobicContact CZ-CD2 4.23Å
384T92Very high91.4Very high100 Ų10051.8 Ų51.861%0.61332%0.316SS*.SBendtrans-85.6-28.516354.10000111.5T396T384-T396 PolarHBondContact N-O 3.19Å; T384-T396 WeakPolarHBondContact OG1-CB 3.27Å; T384-T396 VanDerWaalsContact OG1-CG2 3.28Å; T384-T396 WeakPolarHBondContact OG1-CG2 3.41Å; T384-T396 PolarHBondContact OG1-O 2.81Å
385H88.5Confident91.4Very high130 Ų13050.9 Ų50.960%0.60231%0.306SS*.EExtended strand (participates in β ladder)trans-144.5137.5173.6-160.483000110L395 T396H385-L395 CarbonylContact O-C 3.55Å; H385-L395 VanDerWaalsContact O-CA 3.28Å; H385-L395 WeakPolarHBondContact O-CA 3.4Å; H385-T396 PolarHBondContact N-O 3.29Å; H385-T396 PolarHBondContact O-N 3.34Å
386F87Confident91.3Very high13 Ų1352.1 Ų52.16%0.05731%0.314CS..EExtended strand (participates in β ladder)trans-156131.3-179.2168.9-112.9000110.5F373 L376 N377 F383 I393 G394 L395F373-F386 AromaticContact CD2-CE1 3.87Å; F373-F386 HydrophobicContact CD2-CE1 3.87Å; F373-F386 HydrophobicContact CD2-CE2 4.17Å; F373-F386 AromaticContact CD2-CZ 3.43Å; F373-F386 HydrophobicContact CD2-CZ 3.43Å; F373-F386 VanDerWaalsContact CD2-CZ 3.43Å; F373-F386 HydrophobicContact CE2-CD1 4.42Å; F373-F386 AromaticContact CE2-CE1 3.64Å; F373-F386 HydrophobicContact CE2-CE1 3.64Å; F373-F386 AromaticContact CE2-CZ 3.71Å; F373-F386 HydrophobicContact CE2-CZ 3.71Å; F373-F386 HydrophobicContact CG-CE1 4.5Å; F373-F386 HydrophobicContact CG-CZ 4.01Å; F373-F386 HydrophobicContact CZ-CE1 4.11Å; F373-F386 HydrophobicContact CZ-CZ 4.49Å; L376-F386 HydrophobicContact CB-CD2 4.41Å; L376-F386 HydrophobicContact CB-CE1 4.3Å; L376-F386 HydrophobicContact CB-CE2 3.56Å; L376-F386 HydrophobicContact CB-CZ 3.5Å; L376-F386 VanDerWaalsContact CB-CZ 3.5Å; L376-F386 HydrophobicContact CD1-CE2 3.74Å; L376-F386 HydrophobicContact CD1-CZ 4.4Å; L376-F386 HydrophobicContact CG-CE2 4.33Å; N377-F386 HydrophobicContact CB-CE1 3.96Å; F383-F386 HydrophobicContact CB-CB 3.94Å; F383-F386 HydrophobicContact CD2-CB 3.76Å; F383-F386 HydrophobicContact CD2-CD1 4.41Å; F383-F386 HydrophobicContact CD2-CD2 4.4Å; F383-F386 AromaticContact CD2-CG 3.94Å; F383-F386 HydrophobicContact CD2-CG 3.94Å; F383-F386 HydrophobicContact CE2-CD2 4.48Å; F383-F386 HydrophobicContact CE2-CG 4.32Å; F383-F386 HydrophobicContact CG-CB 3.94Å; F383-F386 HydrophobicContact CG-CG 4.47Å; F386-I393 HydrophobicContact CE2-CB 4.12Å; F386-I393 HydrophobicContact CE2-CG2 4.11Å; F386-G394 WeakPolarHBondContact CA-O 3.41Å; F386-L395 HydrophobicContact CD2-CB 4.22Å
387G83Confident91.3Very high27 Ų2752.1 Ų52.128%0.27831%0.314SS..EExtended strand (participates in β ladder)trans-162.8174.4-179.700000112.7I393 G394G387-I393 WeakPolarHBondContact O-CA 3.27Å; G387-G394 PolarHBondContact N-O 3.34Å; G387-G394 PolarHBondContact O-N 2.85Å
388G84Confident91.5Very high38 Ų3850.2 Ų50.239%0.39231%0.305SS..EExtended strand (participates in β ladder)trans126.6-155.7176.800000113.7F373 A392F373-G388 WeakPolarHBondContact CD2-O 3.46Å; F373-G388 WeakPolarHBondContact CE2-O 3.31Å; G388-A392 CarbonylContact C-O 3.49Å; G388-A392 WeakPolarHBondContact CA-O 3.33Å
389H82.8Confident91.6Very high115 Ų11547 Ų4753%0.53229%0.288SS..EExtended strand (participates in β ladder)trans-129.2171.8-177.6-56.5-57.9000111.2F373 A391 A392 I393F373-H389 WeakPolarHBondContact CB-O 3.45Å; H389-A391 PolarHBondContact O-N 2.93Å; H389-A392 PolarHBondContact N-O 2.83Å; H389-A392 CarbonylContact O-C 3.53Å; H389-A392 PolarHBondContact O-N 3.08Å; H389-I393 WeakPolarHBondContact O-CG2 3.46Å
390A87.6Confident91.7Very high48 Ų4854.5 Ų54.540%0.39732%0.323SS..THydrogen-bonded Turntrans-50.7-38.8-17400000114.7D371 L372D371-A390 HydrophobicContact CB-CB 4.19Å; D371-A390 WeakPolarHBondContact OD1-CA 3.23Å; D371-A390 WeakPolarHBondContact OD1-CB 3.37Å; L372-A390 WeakPolarHBondContact CB-O 3.43Å; L372-A390 PolarHBondContact N-O 2.87Å
391A89.2Confident91.9Very high58 Ų5848.9 Ų48.948%0.47930%0.304SS..THydrogen-bonded Turntrans-93.3-15.3-179.400000114.6R365 S366 H389R365-A391 CarbonylContact C-O 3.57Å; R365-A391 VanDerWaalsContact CA-O 3.31Å; R365-A391 WeakPolarHBondContact CA-O 3.38Å; S366-A391 PolarHBondContact N-O 3.07Å; H389-A391 PolarHBondContact O-N 2.93Å
392A91.1Very high92.1Very high32 Ų3244.9 Ų44.926%0.26428%0.275SS..EExtended strand (participates in β ladder)trans-150123.5-172.100000112G364 G388 H389G364-A392 WeakPolarHBondContact O-CA 3Å; G388-A392 CarbonylContact C-O 3.49Å; G388-A392 WeakPolarHBondContact CA-O 3.33Å; H389-A392 PolarHBondContact N-O 2.83Å; H389-A392 CarbonylContact O-C 3.53Å; H389-A392 PolarHBondContact O-N 3.08Å
393I93.2Very high92.1Very high6 Ų647.3 Ų47.33%0.03129%0.293CS..EExtended strand (participates in β ladder)trans-128.6158.4-177.461.685.8000112S363 G364 L372 F373 L376 F386 G387 H389 L395S363-I393 VanDerWaalsContact CA-O 3.31Å; S363-I393 WeakPolarHBondContact CA-O 3.26Å; G364-I393 PolarHBondContact N-O 3.13Å; G364-I393 PolarHBondContact O-N 3.12Å; G364-I393 VanDerWaalsContact O-N 3.15Å; L372-I393 HydrophobicContact CD2-CG1 3.71Å; L372-I393 HydrophobicContact CG-CG1 4.04Å; L372-I393 HydrophobicContact CG-CG2 4.39Å; F373-I393 HydrophobicContact CB-CG2 3.87Å; F373-I393 HydrophobicContact CD2-CG2 4.17Å; L376-I393 HydrophobicContact CD1-CB 4.43Å; L376-I393 HydrophobicContact CD1-CD1 3.75Å; L376-I393 HydrophobicContact CD1-CG1 3.68Å; L376-I393 HydrophobicContact CD1-CG2 4.49Å; F386-I393 HydrophobicContact CE2-CB 4.12Å; F386-I393 HydrophobicContact CE2-CG2 4.11Å; G387-I393 WeakPolarHBondContact O-CA 3.27Å; H389-I393 WeakPolarHBondContact O-CG2 3.46Å; I393-L395 HydrophobicContact CD1-CB 4.49Å; I393-L395 HydrophobicContact CD1-CD2 3.8Å; I393-L395 HydrophobicContact CD1-CG 4.31Å
394G92.3Very high92.3Very high29 Ų2949.6 Ų49.630%0.29931%0.309SS..EExtended strand (participates in β ladder)trans-124.7137.9165.900000110.1G362 F386 G387G362-G394 WeakPolarHBondContact O-CA 3.36Å; F386-G394 WeakPolarHBondContact CA-O 3.41Å; G387-G394 PolarHBondContact N-O 3.34Å; G387-G394 PolarHBondContact O-N 2.85Å
395L94.2Very high92.5Very high5 Ų544.9 Ų44.93%0.02628%0.28CS..EExtended strand (participates in β ladder)trans-143.3155-179.873.382.5000113I350 L352 K361 G362 L376 F383 H385 F386 I393 M397I350-L395 HydrophobicContact CD1-CD2 4.38Å; I350-L395 HydrophobicContact CG2-CD2 4.13Å; L352-L395 HydrophobicContact CD2-CD1 3.46Å; L352-L395 VanDerWaalsContact CD2-CD1 3.46Å; L352-L395 HydrophobicContact CD2-CG 4.2Å; K361-L395 WeakPolarHBondContact CA-O 3.47Å; G362-L395 PolarHBondContact N-O 2.73Å; G362-L395 PolarHBondContact O-N 3.26Å; G362-L395 VanDerWaalsContact O-N 3.08Å; L376-L395 HydrophobicContact CD1-CD2 4.43Å; F383-L395 HydrophobicContact CD1-CB 4.14Å; F383-L395 HydrophobicContact CD1-CD1 4.16Å; F383-L395 HydrophobicContact CD1-CD2 4.24Å; F383-L395 HydrophobicContact CD1-CG 4.43Å; F383-L395 HydrophobicContact CE1-CB 4.49Å; F383-L395 HydrophobicContact CE1-CD1 4.38Å; F383-L395 HydrophobicContact CE1-CD2 3.82Å; F383-L395 HydrophobicContact CE1-CG 4.48Å; H385-L395 CarbonylContact O-C 3.55Å; H385-L395 VanDerWaalsContact O-CA 3.28Å; H385-L395 WeakPolarHBondContact O-CA 3.4Å; F386-L395 HydrophobicContact CD2-CB 4.22Å; I393-L395 HydrophobicContact CD1-CB 4.49Å; I393-L395 HydrophobicContact CD1-CD2 3.8Å; I393-L395 HydrophobicContact CD1-CG 4.31Å; L395-M397 HydrophobicContact CD1-CB 4.34Å; L395-M397 HydrophobicContact CD1-CG 3.85Å; L395-M397 HydrophobicContact CD1-SD 3.87Å
396T95.1Very high92.9Very high27 Ų2743 Ų4317%0.16627%0.267CS..EExtended strand (participates in β ladder)trans-130.7133.7167.4-55.20000108.4V359 A360 K361 F383 T384 H385V359-T396 HydrophobicContact CG1-CG2 3.34Å; A360-T396 CarbonylContact O-C 3.44Å; A360-T396 VanDerWaalsContact O-CA 3.29Å; A360-T396 WeakPolarHBondContact O-CA 3.21Å; K361-T396 HydrophobicContact CG-CG2 3.82Å; F383-T396 CarbonylContact C-O 3.57Å; F383-T396 WeakPolarHBondContact CA-O 3.4Å; F383-T396 WeakPolarHBondContact CB-O 3.47Å; T384-T396 PolarHBondContact N-O 3.19Å; T384-T396 WeakPolarHBondContact OG1-CB 3.27Å; T384-T396 VanDerWaalsContact OG1-CG2 3.28Å; T384-T396 WeakPolarHBondContact OG1-CG2 3.41Å; T384-T396 PolarHBondContact OG1-O 2.81Å; H385-T396 PolarHBondContact N-O 3.29Å; H385-T396 PolarHBondContact O-N 3.34Å
397M96.9Very high93.3Very high0 Ų048.4 Ų48.40%029%0.291CS..EExtended strand (participates in β ladder)trans-149157.9-178.361.5-176.1-63.600111.8L352 A360 E382 F383 L395 A399 N401 I402 L405L352-M397 HydrophobicContact CD1-SD 4.06Å; A360-M397 HydrophobicContact CB-CG 3.94Å; A360-M397 PolarHBondContact N-O 3.38Å; A360-M397 PolarHBondContact O-N 3.3Å; E382-M397 VanDerWaalsContact O-CB 3.23Å; E382-M397 WeakPolarHBondContact O-CB 3.36Å; F383-M397 HydrophobicContact CD1-CB 4.19Å; L395-M397 HydrophobicContact CD1-CB 4.34Å; L395-M397 HydrophobicContact CD1-CG 3.85Å; L395-M397 HydrophobicContact CD1-SD 3.87Å; M397-A399 PolarHBondContact O-N 2.96Å; M397-N401 VanDerWaalsContact CE-C 3.43Å; M397-N401 HydrophobicContact CE-CB 3.47Å; M397-N401 VanDerWaalsContact CE-CB 3.47Å; M397-I402 HydrophobicContact CE-CG1 4.06Å; M397-I402 HydrophobicContact SD-CG1 4.23Å; M397-L405 HydrophobicContact CE-CB 4.02Å; M397-L405 HydrophobicContact CE-CD2 3.85Å; M397-L405 HydrophobicContact SD-CD2 3.61Å
398P97.7Very high94Very high37 Ų3749.9 Ų49.924%0.2429%0.291CS..EExtended strand (participates in β ladder)trans-60.5132.4164.4-19.933.8000110.3E400 N401P398-E400 HydrophobicContact CB-CG 3.77Å; P398-E400 PolarHBondContact O-N 2.99Å; P398-N401 WeakPolarHBondContact O-CB 3.22Å; P398-N401 PolarHBondContact O-N 2.92Å
399A97.5Very high94.7Very high21 Ų2148.1 Ų48.117%0.17427%0.273CS..G310 helixtrans-61.5-27.3-179.300000112.4I354 G358 A360 M397 N401 I402I354-A399 HydrophobicContact CD1-CB 4.28Å; I354-A399 HydrophobicContact CG1-CB 4.29Å; I354-A399 HydrophobicContact CG2-CB 3.93Å; G358-A399 VanDerWaalsContact O-CB 3.23Å; G358-A399 WeakPolarHBondContact O-CB 3.39Å; G358-A399 PolarHBondContact O-N 2.85Å; A360-A399 HydrophobicContact CB-CB 4.4Å; M397-A399 PolarHBondContact O-N 2.96Å; A399-N401 PolarHBondContact O-N 2.83Å; A399-I402 HydrophobicContact CB-CD1 4.18Å; A399-I402 WeakPolarHBondContact O-CB 3.44Å; A399-I402 WeakPolarHBondContact O-CD1 3.45Å; A399-I402 VanDerWaalsContact O-CG1 3.31Å; A399-I402 WeakPolarHBondContact O-CG1 3.47Å; A399-I402 PolarHBondContact O-N 3.29Å
400E97.2Very high95.2Very high161 Ų16143.9 Ų43.975%0.75225%0.254SS*.G310 helixtrans-61.3-23.5173.959.9-179.2-160.300113.9P398 P403P398-E400 HydrophobicContact CB-CG 3.77Å; P398-E400 PolarHBondContact O-N 2.99Å; E400-P403 WeakPolarHBondContact O-CD 3.46Å
401N97.2Very high95.6Very high32 Ų3245.2 Ų45.217%0.17125%0.254CS..G310 helixtrans-84.5-8.4179.7-68.5-5.9000113.1E382 M397 P398 A399 V404 L405E382-N401 PolarHBondContact OE2-ND2 3.47Å; M397-N401 VanDerWaalsContact CE-C 3.43Å; M397-N401 HydrophobicContact CE-CB 3.47Å; M397-N401 VanDerWaalsContact CE-CB 3.47Å; P398-N401 WeakPolarHBondContact O-CB 3.22Å; P398-N401 PolarHBondContact O-N 2.92Å; A399-N401 PolarHBondContact O-N 2.83Å; N401-V404 WeakPolarHBondContact O-CB 3.18Å; N401-V404 PolarHBondContact O-N 3.01Å; N401-V404 VanDerWaalsContact O-N 3.08Å; N401-L405 PolarHBondContact O-N 2.95Å
402I97.4Very high96Very high12 Ų1245.5 Ų45.56%0.06224%0.244CC..Hα-helixtrans-55.3-47.3-176.4-68.7168.3000112.6L323 A325 L352 I354 A360 M397 A399 V404 L405 R406L323-I402 HydrophobicContact CD2-CG2 3.91Å; L323-I402 WeakPolarHBondContact CD2-O 3.48Å; L323-I402 HydrophobicContact CG-CG2 4.3Å; A325-I402 HydrophobicContact CB-CD1 3.69Å; L352-I402 HydrophobicContact CD1-CD1 4.05Å; L352-I402 HydrophobicContact CD1-CG1 3.94Å; I354-I402 HydrophobicContact CD1-CD1 3.96Å; I354-I402 HydrophobicContact CG1-CD1 4.29Å; A360-I402 HydrophobicContact CB-CD1 4.06Å; M397-I402 HydrophobicContact CE-CG1 4.06Å; M397-I402 HydrophobicContact SD-CG1 4.23Å; A399-I402 HydrophobicContact CB-CD1 4.18Å; A399-I402 WeakPolarHBondContact O-CB 3.44Å; A399-I402 WeakPolarHBondContact O-CD1 3.45Å; A399-I402 VanDerWaalsContact O-CG1 3.31Å; A399-I402 WeakPolarHBondContact O-CG1 3.47Å; A399-I402 PolarHBondContact O-N 3.29Å; I402-V404 VanDerWaalsContact C-N 3.3Å; I402-V404 PolarHBondContact O-N 3.04Å; I402-L405 PolarHBondContact O-N 3.03Å; I402-R406 PolarHBondContact O-N 2.86Å
403P96.4Very high96.2Very high81 Ų8144.5 Ų44.553%0.52623%0.234SC..Hα-helixtrans-64-34.6178.1-22.235000113.2E400 K407E400-P403 WeakPolarHBondContact O-CD 3.46Å; P403-K407 PolarHBondContact O-N 3Å
404V97.1Very high96.2Very high70 Ų7048.5 Ų48.542%0.42426%0.262SS..Hα-helixtrans-67.1-49.3178178.50000109.7N401 I402 R406 K407 M408N401-V404 WeakPolarHBondContact O-CB 3.18Å; N401-V404 PolarHBondContact O-N 3.01Å; N401-V404 VanDerWaalsContact O-N 3.08Å; I402-V404 VanDerWaalsContact C-N 3.3Å; I402-V404 PolarHBondContact O-N 3.04Å; V404-R406 PolarHBondContact O-N 3.36Å; V404-K407 PolarHBondContact O-N 3.37Å; V404-M408 HydrophobicContact CG1-CG 4.42Å; V404-M408 HydrophobicContact CG1-SD 3.87Å; V404-M408 WeakPolarHBondContact O-CG 3.48Å; V404-M408 PolarHBondContact O-N 3.2Å
405L97.4Very high96.4Very high0 Ų050.8 Ų50.80%028%0.278CS..Hα-helixtrans-61.6-44.7178.6-177.764.7000112L323 L376 M379 F383 M397 N401 I402 K407 M408 M409L323-L405 HydrophobicContact CD1-CD2 4.42Å; L323-L405 HydrophobicContact CD2-CB 4Å; L323-L405 HydrophobicContact CD2-CD2 3.86Å; L323-L405 HydrophobicContact CD2-CG 3.99Å; L376-L405 HydrophobicContact CD2-CD1 4.14Å; M379-L405 HydrophobicContact CB-CD1 4.25Å; M379-L405 HydrophobicContact SD-CD1 3.82Å; F383-L405 HydrophobicContact CE1-CD1 4.09Å; F383-L405 HydrophobicContact CE1-CD2 3.7Å; F383-L405 HydrophobicContact CZ-CD1 3.82Å; F383-L405 HydrophobicContact CZ-CD2 4.23Å; M397-L405 HydrophobicContact CE-CB 4.02Å; M397-L405 HydrophobicContact CE-CD2 3.85Å; M397-L405 HydrophobicContact SD-CD2 3.61Å; N401-L405 PolarHBondContact O-N 2.95Å; I402-L405 PolarHBondContact O-N 3.03Å; L405-K407 VanDerWaalsContact C-N 3.26Å; L405-K407 PolarHBondContact O-N 3.01Å; L405-M408 PolarHBondContact O-N 2.96Å; L405-M409 HydrophobicContact CD1-CG 4.23Å; L405-M409 HydrophobicContact CD1-SD 4.44Å; L405-M409 HydrophobicContact CG-CE 4.07Å; L405-M409 HydrophobicContact CG-CG 4.44Å; L405-M409 HydrophobicContact CG-SD 4.29Å; L405-M409 WeakPolarHBondContact O-CG 3.4Å; L405-M409 PolarHBondContact O-N 2.78Å
406R96.6Very high96.4Very high90 Ų9056.1 Ų56.134%0.3430%0.303SS..Hα-helixtrans-54.1-46.5175.6-174.4-175.9-62142.72.3111D319 L323 I402 V404 N410D319-R406 WeakPolarHBondContact OD2-CD 3.48Å; D319-R406 IonicContact OD2-NE 3.72Å; L323-R406 HydrophobicContact CB-CB 4.4Å; L323-R406 HydrophobicContact CD2-CB 4.1Å; L323-R406 PolarHBondContact O-NH2 3.47Å; L323-R406 VanDerWaalsContact O-NH2 3.15Å; I402-R406 PolarHBondContact O-N 2.86Å; V404-R406 PolarHBondContact O-N 3.36Å; R406-N410 PolarHBondContact O-N 3.01Å; R406-N410 PolarHBondContact O-ND2 3.27Å
407K96.2Very high96.3Very high127 Ų12763.1 Ų63.155%0.55233%0.334SS*.Hα-helixtrans-64-47.6178.2-173.4-177.6-178.2-60.90111.4P403 V404 L405 M409 N410 D411P403-K407 PolarHBondContact O-N 3Å; V404-K407 PolarHBondContact O-N 3.37Å; L405-K407 VanDerWaalsContact C-N 3.26Å; L405-K407 PolarHBondContact O-N 3.01Å; K407-M409 VanDerWaalsContact C-N 3.32Å; K407-M409 PolarHBondContact O-N 3.37Å; K407-N410 PolarHBondContact O-N 3.01Å; K407-D411 IonicContact NZ-OD1 2.99Å; K407-D411 IonicContact NZ-OD2 2.75Å; K407-D411 PolarHBondContact NZ-OD2 3.35Å; K407-D411 WeakPolarHBondContact O-CB 3.09Å; K407-D411 PolarHBondContact O-N 3.27Å
408M97.3Very high96Very high59 Ų5964.8 Ų64.829%0.29134%0.342SS..Hα-helixtrans-59.7-40.5-179.5-70.8174.670.500112.6M379 E382 V404 L405 Y412M379-M408 HydrophobicContact CB-CE 3.84Å; M379-M408 HydrophobicContact CE-CB 4.16Å; M379-M408 HydrophobicContact CG-CE 3.76Å; M379-M408 HydrophobicContact SD-CB 3.71Å; M379-M408 HydrophobicContact SD-CE 4.35Å; E382-M408 HydrophobicContact CG-SD 4.1Å; V404-M408 HydrophobicContact CG1-CG 4.42Å; V404-M408 HydrophobicContact CG1-SD 3.87Å; V404-M408 WeakPolarHBondContact O-CG 3.48Å; V404-M408 PolarHBondContact O-N 3.2Å; L405-M408 PolarHBondContact O-N 2.96Å; M408-Y412 VanDerWaalsContact O-CB 3.31Å; M408-Y412 WeakPolarHBondContact O-CB 3.16Å; M408-Y412 PolarHBondContact O-N 3.15Å
409M97.2Very high95.6Very high0 Ų066.3 Ų66.30%035%0.348CS..Hα-helixtrans-65.3-48.1177.2-68.1-172.5-60.200112.2V321 L323 I350 M375 L376 M379 L405 K407 D411 Y412 I413V321-M409 HydrophobicContact CB-CB 4.25Å; V321-M409 HydrophobicContact CG1-CB 4.48Å; V321-M409 HydrophobicContact CG1-CE 4.02Å; V321-M409 HydrophobicContact CG1-SD 3.87Å; L323-M409 HydrophobicContact CB-CE 3.68Å; L323-M409 HydrophobicContact CD1-CE 4.2Å; L323-M409 HydrophobicContact CD2-CE 3.84Å; L323-M409 HydrophobicContact CG-CE 4.11Å; I350-M409 HydrophobicContact CD1-CE 4.19Å; I350-M409 HydrophobicContact CD1-SD 3.68Å; M375-M409 HydrophobicContact CE-CB 4.08Å; M375-M409 HydrophobicContact CE-CG 3.74Å; M375-M409 HydrophobicContact CE-SD 3.87Å; M375-M409 HydrophobicContact SD-CB 4.23Å; M375-M409 HydrophobicContact SD-CG 4.26Å; L376-M409 HydrophobicContact CD2-CG 4.29Å; L376-M409 HydrophobicContact CD2-SD 3.7Å; M379-M409 HydrophobicContact CE-CG 4.23Å; M379-M409 HydrophobicContact SD-CG 3.85Å; L405-M409 HydrophobicContact CD1-CG 4.23Å; L405-M409 HydrophobicContact CD1-SD 4.44Å; L405-M409 HydrophobicContact CG-CE 4.07Å; L405-M409 HydrophobicContact CG-CG 4.44Å; L405-M409 HydrophobicContact CG-SD 4.29Å; L405-M409 WeakPolarHBondContact O-CG 3.4Å; L405-M409 PolarHBondContact O-N 2.78Å; K407-M409 VanDerWaalsContact C-N 3.32Å; K407-M409 PolarHBondContact O-N 3.37Å; M409-D411 PolarHBondContact O-N 3.21Å; M409-Y412 WeakPolarHBondContact O-CB 3.21Å; M409-Y412 PolarHBondContact O-N 3.28Å; M409-I413 WeakPolarHBondContact O-CG1 3.46Å; M409-I413 PolarHBondContact O-N 2.97Å
410N94.7Very high95.1Very high26 Ų2666.1 Ų66.114%0.13934%0.344CS..Hα-helixtrans-67.5-36.4179.6-73.8-76.6000112.5A320 V321 R406 K407 Y412 S414A320-N410 WeakPolarHBondContact CB-OD1 3.44Å; A320-N410 PolarHBondContact N-OD1 2.95Å; V321-N410 PolarHBondContact N-OD1 3.32Å; R406-N410 PolarHBondContact O-N 3.01Å; R406-N410 PolarHBondContact O-ND2 3.27Å; K407-N410 PolarHBondContact O-N 3.01Å; N410-Y412 VanDerWaalsContact C-N 3.33Å; N410-S414 PolarHBondContact O-N 3.4Å; N410-S414 VanDerWaalsContact O-N 3.16Å; N410-S414 PolarHBondContact O-OG 2.91Å
411D95.7Very high94.4Very high76 Ų7663.5 Ų63.541%0.40634%0.344SS..Hα-helixtrans-63.1-40172-72.9-14.6000111.2K407 M409 S414 A415K407-D411 IonicContact NZ-OD1 2.99Å; K407-D411 IonicContact NZ-OD2 2.75Å; K407-D411 PolarHBondContact NZ-OD2 3.35Å; K407-D411 WeakPolarHBondContact O-CB 3.09Å; K407-D411 PolarHBondContact O-N 3.27Å; M409-D411 PolarHBondContact O-N 3.21Å; D411-S414 PolarHBondContact O-N 3.39Å; D411-A415 VanDerWaalsContact O-CB 3.27Å; D411-A415 WeakPolarHBondContact O-CB 3.15Å; D411-A415 PolarHBondContact O-N 3.08Å
412Y97.1Very high93.3Very high64 Ų6468.9 Ų68.925%0.25137%0.366SS..Hα-helixtrans-62.9-48.6177.8-177.2-86.3000111.7L370 M375 T378 M379 M408 M409 N410 S414 A415 E416 I418L370-Y412 HydrophobicContact CD1-CE1 4.5Å; M375-Y412 HydrophobicContact CB-CD1 4.13Å; M375-Y412 HydrophobicContact CB-CE1 3.85Å; M375-Y412 HydrophobicContact CG-CD1 3.43Å; M375-Y412 VanDerWaalsContact CG-CD1 3.43Å; M375-Y412 HydrophobicContact CG-CD2 4.24Å; M375-Y412 HydrophobicContact CG-CE1 3.69Å; M375-Y412 HydrophobicContact CG-CE2 4.47Å; M375-Y412 HydrophobicContact CG-CG 3.73Å; M375-Y412 HydrophobicContact SD-CD1 3.51Å; M375-Y412 VanDerWaalsContact SD-CD1 3.51Å; M375-Y412 HydrophobicContact SD-CE1 4.17Å; M375-Y412 HydrophobicContact SD-CG 4.01Å; T378-Y412 HydrophobicContact CG2-CE2 4.37Å; M379-Y412 HydrophobicContact CE-CD2 4.26Å; M379-Y412 HydrophobicContact CE-CG 4.15Å; M408-Y412 VanDerWaalsContact O-CB 3.31Å; M408-Y412 WeakPolarHBondContact O-CB 3.16Å; M408-Y412 PolarHBondContact O-N 3.15Å; M409-Y412 WeakPolarHBondContact O-CB 3.21Å; M409-Y412 PolarHBondContact O-N 3.28Å; N410-Y412 VanDerWaalsContact C-N 3.33Å; Y412-S414 PolarHBondContact O-N 3.2Å; Y412-A415 PolarHBondContact O-N 3.45Å; Y412-E416 HydrophobicContact CD1-CG 4.19Å; Y412-E416 HydrophobicContact CD2-CG 4.26Å; Y412-E416 HydrophobicContact CE1-CB 4.41Å; Y412-E416 HydrophobicContact CE1-CG 3.85Å; Y412-E416 HydrophobicContact CE2-CG 3.91Å; Y412-E416 HydrophobicContact CG-CG 4.39Å; Y412-E416 WeakPolarHBondContact O-CB 3.17Å; Y412-E416 PolarHBondContact O-N 3.11Å; Y412-I418 HydrophobicContact CD1-CD1 4.07Å; Y412-I418 HydrophobicContact CE1-CD1 3.7Å
413I95.2Very high92.1Very high11 Ų1171.3 Ų71.36%0.05639%0.394CS..Hα-helixtrans-54.7-45175.5-61.9-51.4000110.7A320 V321 L370 M375 M409 Q417 I418 L420A320-I413 HydrophobicContact CB-CB 4.19Å; A320-I413 HydrophobicContact CB-CG1 4.11Å; A320-I413 HydrophobicContact CB-CG2 3.9Å; V321-I413 HydrophobicContact CG2-CD1 4.02Å; V321-I413 HydrophobicContact CG2-CG1 3.79Å; L370-I413 HydrophobicContact CD1-CD1 3.75Å; L370-I413 HydrophobicContact CD2-CD1 3.88Å; L370-I413 HydrophobicContact CG-CD1 4.42Å; M375-I413 HydrophobicContact SD-CD1 4.17Å; M409-I413 WeakPolarHBondContact O-CG1 3.46Å; M409-I413 PolarHBondContact O-N 2.97Å; I413-Q417 PolarHBondContact O-N 3.36Å; I413-Q417 VanDerWaalsContact O-N 3.08Å; I413-I418 HydrophobicContact CD1-CB 4.27Å; I413-I418 HydrophobicContact CD1-CD1 3.94Å; I413-I418 HydrophobicContact CD1-CG2 4.42Å; I413-I418 HydrophobicContact CG2-CB 4.21Å; I413-I418 PolarHBondContact O-N 3.5Å; I413-L420 HydrophobicContact CD1-CD1 4.27Å; I413-L420 HydrophobicContact CG1-CD1 4.27Å; I413-L420 HydrophobicContact CG2-CD1 3.94Å; I413-L420 HydrophobicContact CG2-CG 4.34Å
414S93.8Very high91Very high91 Ų9173.2 Ų73.264%0.63640%0.404SS*.Hα-helixtrans-67.6-41.2-179.4-59.30000112.7N410 D411 Y412 Q417N410-S414 PolarHBondContact O-N 3.4Å; N410-S414 VanDerWaalsContact O-N 3.16Å; N410-S414 PolarHBondContact O-OG 2.91Å; D411-S414 PolarHBondContact O-N 3.39Å; Y412-S414 PolarHBondContact O-N 3.2Å; S414-Q417 PolarHBondContact O-N 3.46Å
415A95.4Very high90.3Very high76 Ų7674.6 Ų74.663%0.62842%0.417SS*.Hα-helixtrans-71.9-42-177.600000112.5D411 Y412 Q417D411-A415 VanDerWaalsContact O-CB 3.27Å; D411-A415 WeakPolarHBondContact O-CB 3.15Å; D411-A415 PolarHBondContact O-N 3.08Å; Y412-A415 PolarHBondContact O-N 3.45Å; A415-Q417 PolarHBondContact O-N 3.03Å
416E95.2Very high89.9Confident117 Ų11777.6 Ų77.655%0.54743%0.433SS..THydrogen-bonded Turntrans-82.4-1.6177.3-63.3-58.8141.300112.6Y412 I418Y412-E416 HydrophobicContact CD1-CG 4.19Å; Y412-E416 HydrophobicContact CD2-CG 4.26Å; Y412-E416 HydrophobicContact CE1-CB 4.41Å; Y412-E416 HydrophobicContact CE1-CG 3.85Å; Y412-E416 HydrophobicContact CE2-CG 3.91Å; Y412-E416 HydrophobicContact CG-CG 4.39Å; Y412-E416 WeakPolarHBondContact O-CB 3.17Å; Y412-E416 PolarHBondContact O-N 3.11Å; E416-I418 VanDerWaalsContact C-N 3.26Å; E416-I418 HydrophobicContact CB-CD1 3.89Å; E416-I418 HydrophobicContact CB-CG1 3.75Å; E416-I418 PolarHBondContact O-N 3.39Å
417Q92.4Very high89.7Confident174 Ų17479.2 Ų79.281%0.81345%0.448SS*.THydrogen-bonded Turntrans53.741.8179.7-55.9-172.4-35.200112.7I413 S414 A415 D419I413-Q417 PolarHBondContact O-N 3.36Å; I413-Q417 VanDerWaalsContact O-N 3.08Å; S414-Q417 PolarHBondContact O-N 3.46Å; A415-Q417 PolarHBondContact O-N 3.03Å; Q417-D419 PolarHBondContact O-N 2.94Å
418I90.8Very high89.6Confident35 Ų3576.2 Ų76.218%0.17944%0.437CS..  trans-73.7118.8-176.4-61.5174.9000108.9A369 L370 Y412 I413 E416 L420A369-I418 WeakPolarHBondContact O-CG2 3.39Å; L370-I418 HydrophobicContact CD1-CD1 3.61Å; Y412-I418 HydrophobicContact CD1-CD1 4.07Å; Y412-I418 HydrophobicContact CE1-CD1 3.7Å; I413-I418 HydrophobicContact CD1-CB 4.27Å; I413-I418 HydrophobicContact CD1-CD1 3.94Å; I413-I418 HydrophobicContact CD1-CG2 4.42Å; I413-I418 HydrophobicContact CG2-CB 4.21Å; I413-I418 PolarHBondContact O-N 3.5Å; E416-I418 VanDerWaalsContact C-N 3.26Å; E416-I418 HydrophobicContact CB-CD1 3.89Å; E416-I418 HydrophobicContact CB-CG1 3.75Å; E416-I418 PolarHBondContact O-N 3.39Å; I418-L420 HydrophobicContact CG2-CD2 3.73Å; I418-L420 HydrophobicContact CG2-CG 4.21Å; I418-L420 PolarHBondContact O-N 3.04Å
419D89.3Confident89.6Confident69 Ų6974.5 Ų74.537%0.36943%0.429SS..  trans-81.595.9179.7-17912.3000110.7Q417 S421 K422Q417-D419 PolarHBondContact O-N 2.94Å; D419-S421 VanDerWaalsContact C-N 3.33Å; D419-S421 VanDerWaalsContact OD1-CB 3.32Å; D419-S421 WeakPolarHBondContact OD1-CB 3.27Å; D419-S421 PolarHBondContact OD1-N 3.35Å; D419-S421 PolarHBondContact OD1-OG 3.47Å; D419-K422 WeakPolarHBondContact OD2-CE 3.31Å; D419-K422 IonicContact OD2-NZ 3.57Å
420L87.3Confident89.4Confident17 Ų1775.7 Ų75.79%0.08943%0.434CS..  trans-89.52.4173.7-55.4178.3000112.8A320 P348 I367 A369 L370 I413 I418 K422A320-L420 HydrophobicContact CB-CD1 3.89Å; A320-L420 VanDerWaalsContact O-CD1 3.23Å; A320-L420 WeakPolarHBondContact O-CD1 3.47Å; P348-L420 HydrophobicContact CG-CD2 4.26Å; I367-L420 HydrophobicContact CD1-CD2 3.88Å; I367-L420 HydrophobicContact CG1-CD2 4.35Å; A369-L420 HydrophobicContact CB-CD2 4.36Å; L370-L420 HydrophobicContact CB-CD2 4.3Å; I413-L420 HydrophobicContact CD1-CD1 4.27Å; I413-L420 HydrophobicContact CG1-CD1 4.27Å; I413-L420 HydrophobicContact CG2-CD1 3.94Å; I413-L420 HydrophobicContact CG2-CG 4.34Å; I418-L420 HydrophobicContact CG2-CD2 3.73Å; I418-L420 HydrophobicContact CG2-CG 4.21Å; I418-L420 PolarHBondContact O-N 3.04Å; L420-K422 VanDerWaalsContact C-N 3.28Å; L420-K422 PolarHBondContact O-N 3Å
421S82.2Confident89.5Confident106 Ų10678.8 Ų78.874%0.74145%0.454SS*.  trans-76.8-18.7-179.374.30000112.8D419 G423D419-S421 VanDerWaalsContact C-N 3.33Å; D419-S421 VanDerWaalsContact OD1-CB 3.32Å; D419-S421 WeakPolarHBondContact OD1-CB 3.27Å; D419-S421 PolarHBondContact OD1-N 3.35Å; D419-S421 PolarHBondContact OD1-OG 3.47Å; S421-G423 PolarHBondContact O-N 2.96Å
422K75.2Confident89.5Confident145 Ų14575.5 Ų75.563%0.6344%0.436SS*.SBendtrans-81.3114174.2-66.5179.2-175.9167.90108.9D419 L420D419-K422 WeakPolarHBondContact OD2-CE 3.31Å; D419-K422 IonicContact OD2-NZ 3.57Å; L420-K422 VanDerWaalsContact C-N 3.28Å; L420-K422 PolarHBondContact O-N 3Å
423G70.8Confident89.4Confident63 Ų6376 Ų7665%0.64945%0.448SS*.  trans-61.5175.6167.400000112.1S421 S425S421-G423 PolarHBondContact O-N 2.96Å; G423-S425 PolarHBondContact O-N 3.27Å
424T73.6Confident89.5Confident121 Ų12175.9 Ų75.974%0.74245%0.447SS*.  trans-59.7133.5174.8-50.30000110.4
425S82.9Confident89.5Confident100 Ų10075.3 Ų75.370%0.69944%0.443SS*.  trans-66.8135.6173.470.60000110.4G423G423-S425 PolarHBondContact O-N 3.27Å
426L88.8Confident89.5Confident63 Ų6372.6 Ų72.633%0.3342%0.42SS..  trans-106.9113.4174.1-175.363000108.4I428 H459 V512 V531 D532L426-I428 PolarHBondContact O-N 3.03Å; L426-H459 VanDerWaalsContact CD1-CD2 3.43Å; L426-H459 WeakPolarHBondContact CD1-CD2 3.32Å; L426-V512 HydrophobicContact CD2-CB 4.04Å; L426-V512 HydrophobicContact CD2-CG1 3.54Å; L426-V512 HydrophobicContact CG-CG1 4.29Å; L426-V531 HydrophobicContact CD1-CG1 4.18Å; L426-V531 HydrophobicContact CD2-CG1 4.05Å; L426-D532 HydrophobicContact CD2-CB 3.84Å
427L92Very high89.6Confident124 Ų12468 Ų6865%0.64940%0.399SS*.  trans-70.9123.3172.8-176.966.2000108.7H459L427-H459 WeakPolarHBondContact O-CB 3.47Å; L427-H459 PolarHBondContact O-CD2 3.01Å
428I95.6Very high89.7Confident64 Ų6463 Ų6333%0.32838%0.378SS..  trans-102.5113171.5-58.4172.4000106.2L426 L461 V512L426-I428 PolarHBondContact O-N 3.03Å; I428-L461 HydrophobicContact CD1-CB 4.44Å; I428-L461 HydrophobicContact CD1-CD1 4.03Å; I428-L461 HydrophobicContact CG2-CB 3.73Å; I428-V512 HydrophobicContact CD1-CG1 4.45Å; I428-V512 HydrophobicContact CD1-CG2 3.65Å; I428-V512 HydrophobicContact CG1-CG1 3.95Å; I428-V512 HydrophobicContact CG1-CG2 4.08Å
429D95.5Very high89.9Confident23 Ų2364.6 Ų64.612%0.12339%0.387CS..  trans-66.4-45-178.1-65.9-117.4000111L13 R17 P458 H459L13-D429 HydrophobicContact CD1-CB 3.6Å; L13-D429 WeakPolarHBondContact CD1-OD1 3.49Å; R17-D429 IonicContact CZ-OD1 3.47Å; R17-D429 IonicContact NE-OD1 2.82Å; R17-D429 PolarHBondContact NE-OD1 3.4Å; R17-D429 VanDerWaalsContact NE-OD1 3.08Å; R17-D429 IonicContact NH2-OD1 3.62Å; R17-D429 PolarHBondContact NH2-OD1 2.89Å; R17-D429 IonicContact NH2-OD2 3.32Å; D429-P458 HydrophobicContact CB-CB 4.12Å; D429-P458 VanDerWaalsContact OD2-CA 3.22Å; D429-P458 WeakPolarHBondContact OD2-CA 3.46Å; D429-H459 PolarHBondContact N-O 2.7Å; D429-H459 PolarHBondContact OD2-N 3.47Å
430E94.8Very high90.2Very high24 Ų2466.8 Ų66.811%0.11239%0.393CS..EExtended strand (participates in β ladder)trans-151.1154.5-178.7-67.1-60163.700113.7N16 L432 F460 L461N16-E430 PolarHBondContact ND2-OE1 3.07Å; E430-L432 HydrophobicContact CB-CD2 3.93Å; E430-L432 HydrophobicContact CB-CG 4.46Å; E430-F460 HydrophobicContact CB-CD1 3.95Å; E430-F460 HydrophobicContact CB-CE1 4.2Å; E430-F460 WeakPolarHBondContact O-CA 3.34Å; E430-L461 PolarHBondContact O-N 2.96Å
431V96.2Very high90.6Very high91 Ų9166 Ų6655%0.55239%0.389SS*.EExtended strand (participates in β ladder)trans-92.1118.5164-1800000108.8L461V431-L461 WeakPolarHBondContact CA-O 3.38Å; V431-L461 HydrophobicContact CB-CD2 4.49Å; V431-L461 HydrophobicContact CG1-CD2 3.81Å; V431-L461 HydrophobicContact CG2-CB 4.21Å; V431-L461 HydrophobicContact CG2-CD2 4.17Å
432L95.7Very high91.3Very high7 Ų761.1 Ų61.14%0.03736%0.355CS..  trans-107.5127.9-175.2-62.9-170.3000112.9T9 E430 I437 F441 F460 L461 I462 L515T9-L432 HydrophobicContact CG2-CD2 3.21Å; E430-L432 HydrophobicContact CB-CD2 3.93Å; E430-L432 HydrophobicContact CB-CG 4.46Å; L432-I437 HydrophobicContact CB-CD1 4.32Å; L432-I437 HydrophobicContact CB-CG1 4.28Å; L432-I437 HydrophobicContact CD1-CG1 4.1Å; L432-F441 HydrophobicContact CD1-CE1 3.62Å; L432-F441 HydrophobicContact CD1-CZ 4.25Å; L432-F460 HydrophobicContact CD1-CB 3.79Å; L432-F460 HydrophobicContact CD1-CD1 3.34Å; L432-F460 HydrophobicContact CD1-CD2 4.12Å; L432-F460 HydrophobicContact CD1-CE1 3.88Å; L432-F460 HydrophobicContact CD1-CG 3.45Å; L432-F460 VanDerWaalsContact CD1-CG 3.45Å; L432-F460 HydrophobicContact CD1-CZ 4.45Å; L432-F460 HydrophobicContact CD2-CD1 4.13Å; L432-F460 HydrophobicContact CD2-CE1 4.5Å; L432-F460 HydrophobicContact CG-CB 4Å; L432-F460 HydrophobicContact CG-CD1 3.59Å; L432-F460 HydrophobicContact CG-CE1 4.34Å; L432-F460 HydrophobicContact CG-CG 3.98Å; L432-L461 PolarHBondContact N-O 3.36Å; L432-I462 HydrophobicContact CB-CG2 4.26Å; L432-L515 HydrophobicContact CD1-CD1 4.05Å
433P95.5Very high92.3Very high75 Ų7557.2 Ų57.249%0.48734%0.339SS..  trans-67.7140.3162.330-32.3000109.2S435 A436P433-S435 PolarHBondContact O-N 2.86Å; P433-A436 HydrophobicContact CG-CB 3.93Å; P433-A436 WeakPolarHBondContact O-CB 3.48Å; P433-A436 PolarHBondContact O-N 3.37Å
434L96.4Very high93.5Very high8 Ų854.9 Ų54.94%0.04231%0.311CS..G310 helixtrans-54.5-28.9-178.9-60.3-176.5000113.3A436 I437 I462 V483 N485 I490L434-A436 VanDerWaalsContact C-N 3.3Å; L434-A436 PolarHBondContact O-N 3.41Å; L434-I437 HydrophobicContact CD2-CD1 4.21Å; L434-I437 PolarHBondContact O-N 3.23Å; L434-I462 HydrophobicContact CD2-CB 4.01Å; L434-I462 HydrophobicContact CD2-CD1 4.13Å; L434-I462 HydrophobicContact CD2-CG2 4.34Å; L434-V483 HydrophobicContact CD1-CG1 4.18Å; L434-V483 HydrophobicContact CD2-CG1 4.31Å; L434-N485 HydrophobicContact CD1-CB 4.22Å; L434-I490 HydrophobicContact CD2-CG2 3.88Å
435S94.9Very high94.5Very high80 Ų8049.5 Ų49.556%0.55928%0.278SS*.G310 helixtrans-68.9-22.7177.7560000114.2P433 I437P433-S435 PolarHBondContact O-N 2.86Å; S435-I437 VanDerWaalsContact C-N 3.29Å
436A94.3Very high95.1Very high18 Ų1849.4 Ų49.415%0.14926%0.264CS..G310 helixtrans-77.2-19.4174.800000112P433 L434 N438P433-A436 HydrophobicContact CG-CB 3.93Å; P433-A436 WeakPolarHBondContact O-CB 3.48Å; P433-A436 PolarHBondContact O-N 3.37Å; L434-A436 VanDerWaalsContact C-N 3.3Å; L434-A436 PolarHBondContact O-N 3.41Å; A436-N438 PolarHBondContact O-N 3.35Å; A436-N438 PolarHBondContact O-ND2 2.88Å; A436-N438 VanDerWaalsContact O-ND2 3.13Å
437I96.4Very high95.3Very high21 Ų2150.3 Ų50.311%0.10827%0.267CS..  trans-85.4104.4-174-53.2171.7000110L432 L434 S435 I462 I490 L515 V526L432-I437 HydrophobicContact CB-CD1 4.32Å; L432-I437 HydrophobicContact CB-CG1 4.28Å; L432-I437 HydrophobicContact CD1-CG1 4.1Å; L434-I437 HydrophobicContact CD2-CD1 4.21Å; L434-I437 PolarHBondContact O-N 3.23Å; S435-I437 VanDerWaalsContact C-N 3.29Å; I437-I462 HydrophobicContact CD1-CG2 3.64Å; I437-I490 HydrophobicContact CB-CD1 4.37Å; I437-I490 HydrophobicContact CD1-CD1 4.23Å; I437-I490 HydrophobicContact CG2-CD1 3.5Å; I437-L515 HydrophobicContact CD1-CD2 4.38Å; I437-L515 HydrophobicContact CG1-CD1 4.38Å; I437-L515 HydrophobicContact CG2-CD1 3.87Å; I437-L515 HydrophobicContact CG2-CD2 3.58Å; I437-L515 HydrophobicContact CG2-CG 4.38Å; I437-V526 HydrophobicContact CG2-CG1 3.68Å
438N95Very high95.4Very high69 Ų6944.4 Ų44.437%0.36924%0.236SC..SBendtrans-147.6168.7-18060.564000111.2A436 K440 F441 V442A436-N438 PolarHBondContact O-N 3.35Å; A436-N438 PolarHBondContact O-ND2 2.88Å; A436-N438 VanDerWaalsContact O-ND2 3.13Å; N438-K440 PolarHBondContact O-N 3.1Å; N438-K440 WeakPolarHBondContact OD1-CB 3.37Å; N438-K440 PolarHBondContact OD1-N 3.44Å; N438-K440 VanDerWaalsContact OD1-N 3.16Å; N438-F441 PolarHBondContact O-N 3.43Å; N438-F441 VanDerWaalsContact O-N 3.14Å; N438-F441 PolarHBondContact OD1-N 2.89Å; N438-V442 PolarHBondContact O-N 2.97Å
439L95.1Very high95.4Very high68 Ų6842.4 Ų42.436%0.35623%0.229SC..Hα-helixtrans-57.8-37-175-173.865.7000112.5V442 E443 I517 K524 V526L439-V442 PolarHBondContact O-N 3.49Å; L439-E443 HydrophobicContact CG-CG 4.47Å; L439-E443 WeakPolarHBondContact O-CG 3.49Å; L439-E443 PolarHBondContact O-N 3.34Å; L439-I517 HydrophobicContact CD1-CD1 3.45Å; L439-I517 VanDerWaalsContact CD1-CD1 3.45Å; L439-I517 HydrophobicContact CD1-CG1 3.76Å; L439-I517 HydrophobicContact CD1-CG2 4Å; L439-K524 HydrophobicContact CD1-CB 4.13Å; L439-K524 HydrophobicContact CD2-CB 4.26Å; L439-V526 HydrophobicContact CB-CG2 4.36Å
440K95.6Very high95.5Very high116 Ų11641.4 Ų41.450%0.50422%0.224SC..Hα-helixtrans-61.6-49.5178.2174.7-174.2170.3-173.40110.5G5 N438 V442 E443 E444G5-K440 WeakPolarHBondContact O-CE 3.49Å; G5-K440 PolarHBondContact O-NZ 3.23Å; N438-K440 PolarHBondContact O-N 3.1Å; N438-K440 WeakPolarHBondContact OD1-CB 3.37Å; N438-K440 PolarHBondContact OD1-N 3.44Å; N438-K440 VanDerWaalsContact OD1-N 3.16Å; K440-V442 VanDerWaalsContact C-N 3.32Å; K440-V442 PolarHBondContact O-N 3.43Å; K440-E443 PolarHBondContact O-N 2.99Å; K440-E444 WeakPolarHBondContact CE-OE1 3.48Å; K440-E444 IonicContact NZ-OE1 2.62Å; K440-E444 WeakPolarHBondContact O-CG 3.47Å; K440-E444 PolarHBondContact O-N 2.86Å
441F96.8Very high95.5Very high1 Ų142.3 Ų42.30%0.00423%0.227CC..Hα-helixtrans-58.2-44179.1-179.8-122.4000111.7S7 T9 F10 L432 N438 E443 E444 L445 F460 L515S7-F441 WeakPolarHBondContact OG-CD2 3.31Å; T9-F441 HydrophobicContact CG2-CD2 4.41Å; T9-F441 HydrophobicContact CG2-CE1 4.15Å; T9-F441 HydrophobicContact CG2-CE2 3.61Å; T9-F441 HydrophobicContact CG2-CZ 3.45Å; T9-F441 VanDerWaalsContact CG2-CZ 3.45Å; F10-F441 HydrophobicContact CB-CD2 4.17Å; F10-F441 HydrophobicContact CB-CE2 3.98Å; L432-F441 HydrophobicContact CD1-CE1 3.62Å; L432-F441 HydrophobicContact CD1-CZ 4.25Å; N438-F441 PolarHBondContact O-N 3.43Å; N438-F441 VanDerWaalsContact O-N 3.14Å; N438-F441 PolarHBondContact OD1-N 2.89Å; F441-E443 PolarHBondContact O-N 2.96Å; F441-E444 WeakPolarHBondContact O-CA 3.46Å; F441-E444 VanDerWaalsContact O-CB 3.32Å; F441-E444 WeakPolarHBondContact O-CB 3.23Å; F441-E444 PolarHBondContact O-N 2.83Å; F441-E444 VanDerWaalsContact O-N 3.07Å; F441-L445 HydrophobicContact CD1-CD1 4.33Å; F441-L445 HydrophobicContact CE1-CD1 3.94Å; F441-L445 HydrophobicContact CE1-CD2 4.33Å; F441-L445 HydrophobicContact CE1-CG 4.3Å; F441-L445 HydrophobicContact CE2-CD2 3.92Å; F441-L445 HydrophobicContact CE2-CG 4.34Å; F441-L445 HydrophobicContact CZ-CD1 4.22Å; F441-L445 HydrophobicContact CZ-CD2 3.76Å; F441-L445 HydrophobicContact CZ-CG 4.18Å; F441-L445 WeakPolarHBondContact O-CG 3.31Å; F441-L445 PolarHBondContact O-N 3.04Å; F441-F460 HydrophobicContact CE1-CE1 4.32Å; F441-F460 HydrophobicContact CE1-CE2 4.44Å; F441-F460 HydrophobicContact CE1-CZ 4.03Å; F441-F460 HydrophobicContact CZ-CE1 4.07Å; F441-F460 AromaticContact CZ-CZ 3.91Å; F441-F460 HydrophobicContact CZ-CZ 3.91Å; F441-L515 HydrophobicContact CD1-CD1 3.82Å; F441-L515 HydrophobicContact CE1-CD1 3.69Å
442V96.6Very high95.5Very high3 Ų339.4 Ų39.42%0.01822%0.216CC..Hα-helixtrans-66.2-36.9178.6-171.60000112.7N438 L439 K440 E444 L445 K446 L515 I517 V526N438-V442 PolarHBondContact O-N 2.97Å; L439-V442 PolarHBondContact O-N 3.49Å; K440-V442 VanDerWaalsContact C-N 3.32Å; K440-V442 PolarHBondContact O-N 3.43Å; V442-E444 VanDerWaalsContact C-N 3.28Å; V442-E444 PolarHBondContact O-N 2.88Å; V442-L445 PolarHBondContact O-N 2.95Å; V442-K446 PolarHBondContact O-N 3.17Å; V442-L515 HydrophobicContact CG1-CB 4.46Å; V442-L515 HydrophobicContact CG2-CB 3.85Å; V442-L515 HydrophobicContact CG2-CD1 4.32Å; V442-I517 HydrophobicContact CB-CD1 4.22Å; V442-I517 HydrophobicContact CB-CG1 4.06Å; V442-I517 HydrophobicContact CG1-CD1 4Å; V442-I517 HydrophobicContact CG1-CG1 3.62Å; V442-V526 HydrophobicContact CG2-CB 4.39Å; V442-V526 HydrophobicContact CG2-CG1 3.68Å; V442-V526 HydrophobicContact CG2-CG2 3.78Å
443E95.2Very high95.5Very high63 Ų6341.9 Ų41.929%0.29423%0.232SC..Hα-helixtrans-69.5-25.2173.2-61.1-74.3-162.500112.2L439 K440 F441 K446 I517 K524L439-E443 HydrophobicContact CG-CG 4.47Å; L439-E443 WeakPolarHBondContact O-CG 3.49Å; L439-E443 PolarHBondContact O-N 3.34Å; K440-E443 PolarHBondContact O-N 2.99Å; F441-E443 PolarHBondContact O-N 2.96Å; E443-K446 WeakPolarHBondContact OE2-CD 3.48Å; E443-K446 IonicContact OE2-NZ 3.8Å; E443-K446 PolarHBondContact OE2-NZ 2.89Å; E443-I517 HydrophobicContact CG-CD1 3.81Å; E443-I517 WeakPolarHBondContact OE1-CD1 3.42Å; E443-K524 IonicContact OE1-NZ 3.54Å; E443-K524 PolarHBondContact OE1-NZ 2.96Å
444E95.9Very high95.4Very high13 Ų1343.7 Ų43.76%0.06124%0.237CC..Hα-helixtrans-69.7-44.2169.5-66.4170.1164.600111.1Y6 S7 F10 K440 F441 V442 K446 Q447Y6-E444 VanDerWaalsContact CA-OE1 3.27Å; Y6-E444 WeakPolarHBondContact CA-OE1 3.34Å; Y6-E444 HydrophobicContact CD1-CB 4.36Å; Y6-E444 HydrophobicContact CD1-CG 3.82Å; Y6-E444 HydrophobicContact CE1-CG 4.29Å; S7-E444 VanDerWaalsContact CB-OE2 3.26Å; S7-E444 WeakPolarHBondContact CB-OE2 3.31Å; S7-E444 PolarHBondContact N-OE1 2.83Å; S7-E444 PolarHBondContact N-OE2 3.37Å; S7-E444 PolarHBondContact OG-OE2 2.93Å; F10-E444 HydrophobicContact CB-CB 4.37Å; F10-E444 WeakPolarHBondContact CB-OE2 3.44Å; F10-E444 HydrophobicContact CD1-CB 4.2Å; F10-E444 HydrophobicContact CD2-CB 3.78Å; F10-E444 HydrophobicContact CE1-CB 4.4Å; F10-E444 HydrophobicContact CE2-CB 4.04Å; F10-E444 WeakPolarHBondContact CE2-O 3.29Å; F10-E444 HydrophobicContact CG-CB 3.86Å; F10-E444 HydrophobicContact CZ-CB 4.32Å; F10-E444 WeakPolarHBondContact CZ-O 3.48Å; K440-E444 WeakPolarHBondContact CE-OE1 3.48Å; K440-E444 IonicContact NZ-OE1 2.62Å; K440-E444 WeakPolarHBondContact O-CG 3.47Å; K440-E444 PolarHBondContact O-N 2.86Å; F441-E444 WeakPolarHBondContact O-CA 3.46Å; F441-E444 VanDerWaalsContact O-CB 3.32Å; F441-E444 WeakPolarHBondContact O-CB 3.23Å; F441-E444 PolarHBondContact O-N 2.83Å; F441-E444 VanDerWaalsContact O-N 3.07Å; V442-E444 VanDerWaalsContact C-N 3.28Å; V442-E444 PolarHBondContact O-N 2.88Å; E444-K446 PolarHBondContact O-N 3.4Å; E444-Q447 VanDerWaalsContact O-CB 3.23Å; E444-Q447 WeakPolarHBondContact O-CB 3.41Å; E444-Q447 VanDerWaalsContact O-CG 3.31Å; E444-Q447 WeakPolarHBondContact O-CG 3.49Å; E444-Q447 PolarHBondContact O-N 3.15Å
445L96.1Very high95.3Very high9 Ų944.1 Ų44.15%0.04724%0.24CC..Hα-helixtrans-56.1-39176.4-63.8179.9000112.2F10 L13 F441 V442 Q447 L448 P458 F460 L515F10-L445 HydrophobicContact CD2-CD2 4.16Å; F10-L445 HydrophobicContact CE2-CD2 4.48Å; L13-L445 HydrophobicContact CD2-CD2 3.31Å; F441-L445 HydrophobicContact CD1-CD1 4.33Å; F441-L445 HydrophobicContact CE1-CD1 3.94Å; F441-L445 HydrophobicContact CE1-CD2 4.33Å; F441-L445 HydrophobicContact CE1-CG 4.3Å; F441-L445 HydrophobicContact CE2-CD2 3.92Å; F441-L445 HydrophobicContact CE2-CG 4.34Å; F441-L445 HydrophobicContact CZ-CD1 4.22Å; F441-L445 HydrophobicContact CZ-CD2 3.76Å; F441-L445 HydrophobicContact CZ-CG 4.18Å; F441-L445 WeakPolarHBondContact O-CG 3.31Å; F441-L445 PolarHBondContact O-N 3.04Å; V442-L445 PolarHBondContact O-N 2.95Å; L445-Q447 PolarHBondContact O-N 2.83Å; L445-Q447 VanDerWaalsContact O-N 3.1Å; L445-L448 VanDerWaalsContact O-CB 3.28Å; L445-L448 WeakPolarHBondContact O-CB 3.41Å; L445-L448 PolarHBondContact O-N 3.47Å; L445-P458 HydrophobicContact CD1-CG 4.33Å; L445-P458 HydrophobicContact CD2-CG 4.01Å; L445-F460 HydrophobicContact CD1-CE2 3.54Å; L445-F460 HydrophobicContact CD1-CZ 3.71Å; L445-F460 HydrophobicContact CD2-CE2 4.49Å; L445-F460 HydrophobicContact CD2-CZ 3.84Å; L445-F460 HydrophobicContact CG-CZ 4.44Å; L445-L515 HydrophobicContact CD1-CB 4.23Å; L445-L515 HydrophobicContact CD1-CD1 4.2Å
446K94Very high95.3Very high97 Ų9743.4 Ų43.442%0.42223%0.233SC..G310 helixtrans-61.1-18.3176.6-71.5-175.9-173.8174.20114.4V442 E443 E444 L448 A449V442-K446 PolarHBondContact O-N 3.17Å; E443-K446 WeakPolarHBondContact OE2-CD 3.48Å; E443-K446 IonicContact OE2-NZ 3.8Å; E443-K446 PolarHBondContact OE2-NZ 2.89Å; E444-K446 PolarHBondContact O-N 3.4Å; K446-L448 PolarHBondContact O-N 3.09Å; K446-A449 VanDerWaalsContact O-CB 3.24Å; K446-A449 WeakPolarHBondContact O-CB 3.45Å; K446-A449 PolarHBondContact O-N 2.84Å
447Q93.4Very high95.3Very high82 Ų8244.1 Ų44.138%0.38324%0.239SC..G310 helixtrans-66.6-22.1173.2-57.3-61.3-44.300112.1F25 I29 E444 L445 A449F25-Q447 HydrophobicContact CZ-CB 4.35Å; I29-Q447 HydrophobicContact CG2-CB 4.14Å; E444-Q447 VanDerWaalsContact O-CB 3.23Å; E444-Q447 WeakPolarHBondContact O-CB 3.41Å; E444-Q447 VanDerWaalsContact O-CG 3.31Å; E444-Q447 WeakPolarHBondContact O-CG 3.49Å; E444-Q447 PolarHBondContact O-N 3.15Å; L445-Q447 PolarHBondContact O-N 2.83Å; L445-Q447 VanDerWaalsContact O-N 3.1Å; Q447-A449 VanDerWaalsContact C-N 3.34Å
448L94.6Very high95.3Very high1 Ų143.4 Ų43.41%0.00524%0.236CC..G310 helixtrans-79.9-16.8175.9-55.2-178.3000112.9F10 L13 L14 F25 L28 R217 L445 K446 F451 N455F10-L448 HydrophobicContact CE2-CD1 4.12Å; F10-L448 HydrophobicContact CE2-CD2 4.37Å; F10-L448 HydrophobicContact CE2-CG 4.05Å; F10-L448 HydrophobicContact CZ-CD2 4.26Å; F10-L448 HydrophobicContact CZ-CG 4.36Å; L13-L448 HydrophobicContact CD2-CD1 3.79Å; L13-L448 HydrophobicContact CG-CD1 4.41Å; L14-L448 HydrophobicContact CD2-CD2 3.68Å; F25-L448 HydrophobicContact CE2-CD2 4.47Å; L28-L448 HydrophobicContact CD2-CD2 3.75Å; R217-L448 VanDerWaalsContact CZ-O 3.3Å; R217-L448 PolarHBondContact NH1-O 3.08Å; R217-L448 PolarHBondContact NH2-O 2.85Å; L445-L448 VanDerWaalsContact O-CB 3.28Å; L445-L448 WeakPolarHBondContact O-CB 3.41Å; L445-L448 PolarHBondContact O-N 3.47Å; K446-L448 PolarHBondContact O-N 3.09Å; L448-F451 HydrophobicContact CB-CE1 3.76Å; L448-F451 HydrophobicContact CB-CZ 4.17Å; L448-N455 PolarHBondContact O-ND2 3.11Å
449A95.5Very high95.4Very high21 Ų2142 Ų4217%0.17423%0.226CC..PPolyproline II helixtrans-62.8156.9171.800000111.2R217 K221 K446 Q447 F451R217-A449 PolarHBondContact NH1-O 3.03Å; R217-A449 PolarHBondContact NH2-O 2.82Å; K221-A449 WeakPolarHBondContact CE-O 3.45Å; K446-A449 VanDerWaalsContact O-CB 3.24Å; K446-A449 WeakPolarHBondContact O-CB 3.45Å; K446-A449 PolarHBondContact O-N 2.84Å; Q447-A449 VanDerWaalsContact C-N 3.34Å; A449-F451 HydrophobicContact CB-CD2 4Å; A449-F451 HydrophobicContact CB-CE2 3.77Å; A449-F451 HydrophobicContact CB-CZ 4.17Å
450P97Very high95.5Very high3 Ų338.7 Ų38.72%0.01921%0.209CC..SBendcis-68.3142.51.430.1-37.6000112.6M212 R217 V220 K221 L224 E251 N455M212-P450 HydrophobicContact CG-CB 4.26Å; M212-P450 HydrophobicContact CG-CG 4.06Å; M212-P450 WeakPolarHBondContact CG-O 3.29Å; M212-P450 HydrophobicContact SD-CB 3.98Å; M212-P450 HydrophobicContact SD-CG 3.64Å; R217-P450 HydrophobicContact CG-CG 4.37Å; R217-P450 PolarHBondContact NH1-O 2.92Å; R217-P450 VanDerWaalsContact NH1-O 3.12Å; V220-P450 HydrophobicContact CB-CG 4.2Å; V220-P450 HydrophobicContact CG1-CB 3.77Å; V220-P450 HydrophobicContact CG1-CG 3.69Å; K221-P450 VanDerWaalsContact CG-CD 3.46Å; K221-P450 HydrophobicContact CG-CG 4.22Å; L224-P450 HydrophobicContact CD1-CB 4.35Å; E251-P450 HydrophobicContact CB-CB 4.06Å; E251-P450 HydrophobicContact CG-CB 4.25Å; P450-N455 PolarHBondContact O-ND2 3.23Å
451F96.2Very high95.6Very high42 Ų4233.8 Ų33.818%0.18419%0.189CC..PPolyproline II helixtrans-91.2153.5173.6-57.7-65.2000111.8E251 L448 A449 N455 A457E251-F451 WeakPolarHBondContact CG-O 3.24Å; E251-F451 VanDerWaalsContact OE1-CD2 3.26Å; E251-F451 WeakPolarHBondContact OE1-CD2 3.3Å; E251-F451 PolarHBondContact OE1-N 2.8Å; L448-F451 HydrophobicContact CB-CE1 3.76Å; L448-F451 HydrophobicContact CB-CZ 4.17Å; A449-F451 HydrophobicContact CB-CD2 4Å; A449-F451 HydrophobicContact CB-CE2 3.77Å; A449-F451 HydrophobicContact CB-CZ 4.17Å; F451-N455 CarbonylContact C-O 3.59Å; F451-N455 VanDerWaalsContact CA-O 3.23Å; F451-N455 WeakPolarHBondContact CA-O 3.39Å; F451-A457 HydrophobicContact CB-CB 4.39Å; F451-A457 HydrophobicContact CD1-CB 4.2Å; F451-A457 HydrophobicContact CD2-CB 4.06Å; F451-A457 HydrophobicContact CE2-CB 4.39Å; F451-A457 HydrophobicContact CG-CB 3.96Å
452G95.6Very high95.7Very high30 Ų3033.8 Ų33.831%0.30919%0.188SC..BIsolated β-bridgetrans172-161.8-179.900000111.9D454 N455G452-D454 PolarHBondContact O-N 3.22Å; G452-N455 PolarHBondContact N-O 3.01Å; G452-N455 CarbonylContact O-C 3.58Å; G452-N455 PolarHBondContact O-N 3.17Å
453T94.3Very high95.6Very high60 Ų6038.8 Ų38.837%0.36821%0.212SC..THydrogen-bonded Turntrans-53.2135.7174-53.80000110.1L209 M212 N455L209-T453 VanDerWaalsContact O-CB 3.28Å; L209-T453 WeakPolarHBondContact O-CB 3.42Å; L209-T453 PolarHBondContact O-OG1 3.45Å; M212-T453 WeakPolarHBondContact CB-O 3.45Å; M212-T453 PolarHBondContact N-O 3.5Å; T453-N455 PolarHBondContact O-N 3.48Å
454D94.4Very high95.4Very high112 Ų11236.8 Ų36.860%0.59921%0.208SC*.THydrogen-bonded Turntrans58.5-0.1-174.4-51.3-35.4000117.2S211 T213 G452S211-D454 WeakPolarHBondContact CB-OD2 3.43Å; S211-D454 WeakPolarHBondContact OG-CB 3.13Å; S211-D454 PolarHBondContact OG-OD2 3.08Å; T213-D454 HydrophobicContact CG2-CB 3.79Å; G452-D454 PolarHBondContact O-N 3.22Å
455N95Very high95.2Very high18 Ų1839.8 Ų39.810%0.09623%0.225CC..BIsolated β-bridgetrans-140.464.8168.2-175.744.1000110.7R17 M212 R217 L448 P450 F451 G452 T453R17-N455 PolarHBondContact NH1-OD1 3.33Å; M212-N455 HydrophobicContact CB-CB 4.33Å; R217-N455 PolarHBondContact NH1-ND2 3.34Å; L448-N455 PolarHBondContact O-ND2 3.11Å; P450-N455 PolarHBondContact O-ND2 3.23Å; F451-N455 CarbonylContact C-O 3.59Å; F451-N455 VanDerWaalsContact CA-O 3.23Å; F451-N455 WeakPolarHBondContact CA-O 3.39Å; G452-N455 PolarHBondContact N-O 3.01Å; G452-N455 CarbonylContact O-C 3.58Å; G452-N455 PolarHBondContact O-N 3.17Å; T453-N455 PolarHBondContact O-N 3.48Å
456P94.4Very high95Very high65 Ų6541.1 Ų41.142%0.42223%0.231SC..PPolyproline II helixtrans-67.3157.3-177.328.7-35.7000111.9R17R17-P456 PolarHBondContact NH1-O 2.91Å; R17-P456 PolarHBondContact NH2-O 2.8Å
457A94.4Very high94.8Very high33 Ų3338.3 Ų38.327%0.27322%0.221SC..PPolyproline II helixtrans-60.3139.6165.700000109.5F451F451-A457 HydrophobicContact CB-CB 4.39Å; F451-A457 HydrophobicContact CD1-CB 4.2Å; F451-A457 HydrophobicContact CD2-CB 4.06Å; F451-A457 HydrophobicContact CE2-CB 4.39Å; F451-A457 HydrophobicContact CG-CB 3.96Å
458P95.9Very high94.8Very high6 Ų640.1 Ų40.14%0.03923%0.233CC..PPolyproline II helixtrans-72.7131.9-175.326-31.5000112.2L13 R17 D429 L445 F460 D514L13-P458 HydrophobicContact CD1-CB 4.08Å; L13-P458 HydrophobicContact CD2-CB 4.13Å; L13-P458 HydrophobicContact CD2-CG 4.13Å; R17-P458 VanDerWaalsContact NH2-CA 3.29Å; D429-P458 HydrophobicContact CB-CB 4.12Å; D429-P458 VanDerWaalsContact OD2-CA 3.22Å; D429-P458 WeakPolarHBondContact OD2-CA 3.46Å; L445-P458 HydrophobicContact CD1-CG 4.33Å; L445-P458 HydrophobicContact CD2-CG 4.01Å; P458-F460 HydrophobicContact CB-CE1 4.23Å; P458-F460 HydrophobicContact CB-CE2 3.94Å; P458-F460 HydrophobicContact CB-CZ 3.61Å; P458-F460 HydrophobicContact CG-CE2 3.82Å; P458-F460 HydrophobicContact CG-CZ 3.68Å; P458-F460 WeakPolarHBondContact O-CE2 3.41Å; P458-D514 VanDerWaalsContact O-OD1 3.12Å
459H97.2Very high94.8Very high38 Ų3842.1 Ų42.118%0.17624%0.241CC..PPolyproline II helixtrans-95.2132.8174.8-64.6-37000110.6L426 L427 D429 V512 D514L426-H459 VanDerWaalsContact CD1-CD2 3.43Å; L426-H459 WeakPolarHBondContact CD1-CD2 3.32Å; L427-H459 WeakPolarHBondContact O-CB 3.47Å; L427-H459 PolarHBondContact O-CD2 3.01Å; D429-H459 PolarHBondContact N-O 2.7Å; D429-H459 PolarHBondContact OD2-N 3.47Å; H459-V512 HydrophobicContact CB-CG1 4.04Å; H459-D514 IonicContact CE1-OD1 2.71Å; H459-D514 PolarHBondContact CE1-OD1 3.34Å; H459-D514 VanDerWaalsContact CE1-OD1 3.24Å; H459-D514 IonicContact CE1-OD2 2.77Å; H459-D514 IonicContact CG-OD1 3.46Å; H459-D514 IonicContact ND1-OD1 3.24Å; H459-D514 PolarHBondContact ND1-OD1 2.9Å; H459-D514 IonicContact ND1-OD2 3.91Å
460F97.9Very high94.8Very high0 Ų046.5 Ų46.50%026%0.257CS..EExtended strand (participates in β ladder)trans-117.5138.8-177.8-58.3-71.1000111.2L13 E430 L432 F441 L445 P458 V512 G513 L515L13-F460 HydrophobicContact CD2-CZ 4.35Å; E430-F460 HydrophobicContact CB-CD1 3.95Å; E430-F460 HydrophobicContact CB-CE1 4.2Å; E430-F460 WeakPolarHBondContact O-CA 3.34Å; L432-F460 HydrophobicContact CD1-CB 3.79Å; L432-F460 HydrophobicContact CD1-CD1 3.34Å; L432-F460 HydrophobicContact CD1-CD2 4.12Å; L432-F460 HydrophobicContact CD1-CE1 3.88Å; L432-F460 HydrophobicContact CD1-CG 3.45Å; L432-F460 VanDerWaalsContact CD1-CG 3.45Å; L432-F460 HydrophobicContact CD1-CZ 4.45Å; L432-F460 HydrophobicContact CD2-CD1 4.13Å; L432-F460 HydrophobicContact CD2-CE1 4.5Å; L432-F460 HydrophobicContact CG-CB 4Å; L432-F460 HydrophobicContact CG-CD1 3.59Å; L432-F460 HydrophobicContact CG-CE1 4.34Å; L432-F460 HydrophobicContact CG-CG 3.98Å; F441-F460 HydrophobicContact CE1-CE1 4.32Å; F441-F460 HydrophobicContact CE1-CE2 4.44Å; F441-F460 HydrophobicContact CE1-CZ 4.03Å; F441-F460 HydrophobicContact CZ-CE1 4.07Å; F441-F460 AromaticContact CZ-CZ 3.91Å; F441-F460 HydrophobicContact CZ-CZ 3.91Å; L445-F460 HydrophobicContact CD1-CE2 3.54Å; L445-F460 HydrophobicContact CD1-CZ 3.71Å; L445-F460 HydrophobicContact CD2-CE2 4.49Å; L445-F460 HydrophobicContact CD2-CZ 3.84Å; L445-F460 HydrophobicContact CG-CZ 4.44Å; P458-F460 HydrophobicContact CB-CE1 4.23Å; P458-F460 HydrophobicContact CB-CE2 3.94Å; P458-F460 HydrophobicContact CB-CZ 3.61Å; P458-F460 HydrophobicContact CG-CE2 3.82Å; P458-F460 HydrophobicContact CG-CZ 3.68Å; P458-F460 WeakPolarHBondContact O-CE2 3.41Å; F460-V512 WeakPolarHBondContact O-CA 3.23Å; F460-G513 PolarHBondContact N-O 3.46Å; F460-G513 PolarHBondContact O-N 2.81Å; F460-L515 HydrophobicContact CD2-CD1 3.84Å; F460-L515 HydrophobicContact CD2-CG 3.81Å; F460-L515 HydrophobicContact CE2-CD1 3.93Å; F460-L515 HydrophobicContact CE2-CG 4.14Å
461L97.9Very high94.7Very high13 Ų1350.1 Ų50.17%0.06827%0.27CS..EExtended strand (participates in β ladder)trans-90.3128.8168.1-175.2151.3000109.9I428 E430 V431 L432 E463 R510 F511 V512I428-L461 HydrophobicContact CD1-CB 4.44Å; I428-L461 HydrophobicContact CD1-CD1 4.03Å; I428-L461 HydrophobicContact CG2-CB 3.73Å; E430-L461 PolarHBondContact O-N 2.96Å; V431-L461 WeakPolarHBondContact CA-O 3.38Å; V431-L461 HydrophobicContact CB-CD2 4.49Å; V431-L461 HydrophobicContact CG1-CD2 3.81Å; V431-L461 HydrophobicContact CG2-CB 4.21Å; V431-L461 HydrophobicContact CG2-CD2 4.17Å; L432-L461 PolarHBondContact N-O 3.36Å; L461-E463 HydrophobicContact CD2-CG 3.74Å; L461-R510 HydrophobicContact CD1-CB 4.29Å; L461-R510 HydrophobicContact CG-CB 4.44Å; L461-F511 CarbonylContact C-O 3.54Å; L461-F511 VanDerWaalsContact CA-O 3.27Å; L461-F511 WeakPolarHBondContact CA-O 3.45Å; L461-V512 HydrophobicContact CD1-CG2 4.47Å
462I97.2Very high94.7Very high0 Ų050.2 Ų50.20%027%0.272CS..EExtended strand (participates in β ladder)trans-126.4150.9172.866.1171.5000110.7L432 L434 I437 V483 I490 F511 F528L432-I462 HydrophobicContact CB-CG2 4.26Å; L434-I462 HydrophobicContact CD2-CB 4.01Å; L434-I462 HydrophobicContact CD2-CD1 4.13Å; L434-I462 HydrophobicContact CD2-CG2 4.34Å; I437-I462 HydrophobicContact CD1-CG2 3.64Å; I462-V483 HydrophobicContact CD1-CB 4.29Å; I462-V483 HydrophobicContact CD1-CG1 4.42Å; I462-V483 HydrophobicContact CD1-CG2 4.15Å; I462-I490 HydrophobicContact CD1-CG2 4.01Å; I462-F511 HydrophobicContact CG1-CB 3.86Å; I462-F511 HydrophobicContact CG1-CD2 4.36Å; I462-F511 PolarHBondContact N-O 2.78Å; I462-F511 PolarHBondContact O-N 3.34Å; I462-F528 HydrophobicContact CD1-CB 4.46Å; I462-F528 HydrophobicContact CD1-CD1 4Å; I462-F528 HydrophobicContact CD1-CD2 3.7Å; I462-F528 HydrophobicContact CD1-CE1 4.05Å; I462-F528 HydrophobicContact CD1-CE2 3.75Å; I462-F528 HydrophobicContact CD1-CG 3.8Å; I462-F528 HydrophobicContact CD1-CZ 3.89Å; I462-F528 HydrophobicContact CG1-CD2 4.32Å; I462-F528 HydrophobicContact CG1-CE1 4.27Å; I462-F528 HydrophobicContact CG1-CE2 3.84Å; I462-F528 HydrophobicContact CG1-CZ 3.78Å; I462-F528 HydrophobicContact CG2-CE2 4.11Å
463E95Very high94.6Very high108 Ų10850.6 Ų50.651%0.50528%0.275SS..EExtended strand (participates in β ladder)trans-128.7146.9178.9-56.3-175.8130.700109.9L461 R510L461-E463 HydrophobicContact CD2-CG 3.74Å; E463-R510 HydrophobicContact CG-CG 4.07Å; E463-R510 WeakPolarHBondContact OE1-CD 3.5Å; E463-R510 WeakPolarHBondContact OE1-CG 3.05Å
464G92.2Very high94.2Very high21 Ų2153.8 Ų53.822%0.21630%0.3CS..  trans161.6171.717500000113.1
465N90.8Very high94Very high77 Ų7752.8 Ų52.841%0.41230%0.295SS..EExtended strand (participates in β ladder)trans-75.7135.5178.7-67.7-70.6000110.3K484N465-K484 HydrophobicContact CB-CG 4.29Å; N465-K484 PolarHBondContact N-O 2.94Å; N465-K484 VanDerWaalsContact O-CG 3.3Å; N465-K484 WeakPolarHBondContact O-CG 3.32Å; N465-K484 PolarHBondContact O-N 3.32Å
466I92.2Very high93.9Very high37 Ų3756.3 Ų56.319%0.1931%0.311CS..EExtended strand (participates in β ladder)trans-75.1138.3172.4-72164.8000110.9F469 F481 S482 I504 Q505 F511I466-F469 HydrophobicContact CG2-CB 3.86Å; I466-F469 HydrophobicContact CG2-CD2 4.02Å; I466-F469 HydrophobicContact CG2-CG 4.4Å; I466-F481 HydrophobicContact CD1-CD2 4.44Å; I466-F481 HydrophobicContact CG1-CD2 3.99Å; I466-F481 HydrophobicContact CG1-CE2 4.29Å; I466-F481 HydrophobicContact CG2-CB 4.17Å; I466-F481 HydrophobicContact CG2-CD2 4.36Å; I466-S482 CarbonylContact C-O 3.46Å; I466-S482 WeakPolarHBondContact CA-O 3.38Å; I466-I504 HydrophobicContact CD1-CG2 3.76Å; I466-I504 WeakPolarHBondContact CD1-O 3.17Å; I466-Q505 HydrophobicContact CD1-CG 4.4Å; I466-Q505 HydrophobicContact CG2-CG 4.46Å; I466-F511 HydrophobicContact CD1-CE1 4.07Å; I466-F511 HydrophobicContact CD1-CE2 4.41Å; I466-F511 HydrophobicContact CD1-CZ 3.45Å; I466-F511 VanDerWaalsContact CD1-CZ 3.45Å; I466-F511 HydrophobicContact CG1-CE2 4.32Å; I466-F511 HydrophobicContact CG1-CZ 3.81Å
467N90.4Very high93.8Very high37 Ų3757.3 Ų57.320%0.19831%0.31CS..EExtended strand (participates in β ladder)trans-138.9169.9160.666.7-24.3000111.1F469 S482 K484 Q489N467-F469 PolarHBondContact O-N 2.99Å; N467-F469 VanDerWaalsContact O-N 3.09Å; N467-S482 PolarHBondContact N-O 2.84Å; N467-S482 PolarHBondContact O-N 3.42Å; N467-S482 WeakPolarHBondContact OD1-CB 3.22Å; N467-S482 PolarHBondContact OD1-O 2.78Å; N467-K484 HydrophobicContact CB-CD 4.33Å; N467-Q489 PolarHBondContact ND2-OE1 3.16Å
468L92.6Very high93.9Very high121 Ų12157.7 Ų57.763%0.63431%0.306SS*.EExtended strand (participates in β ladder)trans5628.4177.3-54.6175.7000114.1
469F94.2Very high94Very high42 Ų4257.4 Ų57.418%0.18430%0.304CS..EExtended strand (participates in β ladder)trans-67.4132.5-179.7-168.7-79.8000111.3I466 N467 V479 K480 F481 I504 Q505I466-F469 HydrophobicContact CG2-CB 3.86Å; I466-F469 HydrophobicContact CG2-CD2 4.02Å; I466-F469 HydrophobicContact CG2-CG 4.4Å; N467-F469 PolarHBondContact O-N 2.99Å; N467-F469 VanDerWaalsContact O-N 3.09Å; F469-V479 HydrophobicContact CE1-CG1 4.2Å; F469-V479 HydrophobicContact CE2-CB 4.1Å; F469-V479 HydrophobicContact CE2-CG1 4.23Å; F469-V479 HydrophobicContact CZ-CB 3.82Å; F469-V479 HydrophobicContact CZ-CG1 3.5Å; F469-V479 VanDerWaalsContact CZ-CG1 3.5Å; F469-K480 CarbonylContact C-O 3.57Å; F469-F481 HydrophobicContact CB-CB 4.09Å; F469-F481 HydrophobicContact CD2-CB 3.56Å; F469-F481 HydrophobicContact CD2-CD1 4.03Å; F469-F481 AromaticContact CD2-CG 3.91Å; F469-F481 HydrophobicContact CD2-CG 3.91Å; F469-F481 HydrophobicContact CE2-CB 4.36Å; F469-F481 AromaticContact CE2-CD1 3.98Å; F469-F481 HydrophobicContact CE2-CD1 3.98Å; F469-F481 HydrophobicContact CE2-CG 4.32Å; F469-F481 HydrophobicContact CG-CB 4.17Å; F469-I504 HydrophobicContact CD2-CG2 4.29Å; F469-I504 HydrophobicContact CE2-CB 4.29Å; F469-I504 HydrophobicContact CE2-CG2 3.57Å; F469-I504 HydrophobicContact CZ-CG2 4.44Å; F469-Q505 HydrophobicContact CB-CG 4.36Å; F469-Q505 HydrophobicContact CD1-CG 4.2Å; F469-Q505 HydrophobicContact CD2-CG 3.67Å; F469-Q505 HydrophobicContact CE1-CG 4.49Å; F469-Q505 HydrophobicContact CE2-CG 4Å; F469-Q505 HydrophobicContact CG-CG 3.8Å; F469-Q505 HydrophobicContact CZ-CG 4.39Å
470K95.3Very high94.1Very high114 Ų11458.6 Ų58.650%0.49631%0.309SS..EExtended strand (participates in β ladder)trans-153.3147.3172.358.1-179179.8-178.80110.5I472 V479 K480K470-I472 HydrophobicContact CD-CG2 4.2Å; K470-I472 HydrophobicContact CG-CG2 4.04Å; K470-V479 WeakPolarHBondContact O-CA 3.06Å; K470-K480 HydrophobicContact CG-CB 4.24Å; K470-K480 WeakPolarHBondContact CG-O 3.34Å; K470-K480 PolarHBondContact N-O 3.39Å; K470-K480 PolarHBondContact O-N 3.12Å; K470-K480 VanDerWaalsContact O-O 3.13Å
471R96Very high94Very high79 Ų7958.7 Ų58.730%0.29831%0.309SS..EExtended strand (participates in β ladder)trans-75.2148.8161.5-62.5-177.9-173.3-156.5-2.1109.6Q476 H478 V479 G498 D499 S501R471-Q476 HydrophobicContact CB-CB 3.79Å; R471-Q476 HydrophobicContact CB-CG 4.44Å; R471-Q476 PolarHBondContact O-OE1 3.35Å; R471-Q476 VanDerWaalsContact O-OE1 3.08Å; R471-H478 CarbonylContact C-O 3.57Å; R471-H478 WeakPolarHBondContact CA-O 3.44Å; R471-V479 HydrophobicContact CG-CG1 4.44Å; R471-G498 PolarHBondContact NE-O 3.1Å; R471-G498 PolarHBondContact NH1-O 3.11Å; R471-G498 PolarHBondContact NH2-O 2.98Å; R471-D499 IonicContact NH1-OD1 3.19Å; R471-S501 PolarHBondContact NE-OG 2.81Å; R471-S501 PolarHBondContact NH2-OG 2.85Å
472I95.9Very high94Very high44 Ų4458.3 Ų58.323%0.22631%0.307CS..EExtended strand (participates in β ladder)trans-138.3166.6178.768.7173.4000109.6K470 Q476 Q477 H478 K480 I493K470-I472 HydrophobicContact CD-CG2 4.2Å; K470-I472 HydrophobicContact CG-CG2 4.04Å; I472-Q476 CarbonylContact O-C 3.19Å; I472-Q476 WeakPolarHBondContact O-CA 3.43Å; I472-Q477 PolarHBondContact O-N 3.05Å; I472-H478 HydrophobicContact CD1-CB 4.38Å; I472-H478 HydrophobicContact CG1-CB 3.71Å; I472-H478 PolarHBondContact N-O 3.26Å; I472-H478 PolarHBondContact O-N 3.29Å; I472-K480 HydrophobicContact CD1-CB 4.14Å; I472-K480 HydrophobicContact CG2-CB 4.04Å; I472-I493 HydrophobicContact CD1-CD1 4.01Å; I472-I493 HydrophobicContact CD1-CG1 4.37Å
473G92.2Very high93.9Very high37 Ų3758.3 Ų58.338%0.38131%0.307SS..SBendtrans99.4161.4-170.900000111.7D475 Q476G473-D475 PolarHBondContact O-N 2.92Å; G473-Q476 PolarHBondContact O-N 2.65Å
474S87.8Confident93.9Very high127 Ų12757.1 Ų57.189%0.88830%0.3SS*.THydrogen-bonded Turntrans-62.4-30.5-179.938.20000113.1
475D88.9Confident93.9Very high91 Ų9159.3 Ų59.349%0.48731%0.307SS..THydrogen-bonded Turntrans-111.16.3-178.446.918.8000113G473 Q477G473-D475 PolarHBondContact O-N 2.92Å; D475-Q477 VanDerWaalsContact CG-CD 3.44Å; D475-Q477 PolarHBondContact O-N 2.84Å; D475-Q477 VanDerWaalsContact OD1-CB 3.26Å; D475-Q477 WeakPolarHBondContact OD1-CB 3.37Å; D475-Q477 WeakPolarHBondContact OD1-CG 3.33Å; D475-Q477 PolarHBondContact OD1-N 3.19Å; D475-Q477 PolarHBondContact OD1-OE1 3.08Å; D475-Q477 VanDerWaalsContact OD2-CD 3.3Å; D475-Q477 PolarHBondContact OD2-OE1 3.32Å
476Q92.3Very high93.8Very high92 Ų9264.9 Ų64.943%0.4333%0.331SS..SBendtrans64.123.6-179.2-52.6-66.4-31.300114.3R471 I472 G473 H478 G498R471-Q476 HydrophobicContact CB-CB 3.79Å; R471-Q476 HydrophobicContact CB-CG 4.44Å; R471-Q476 PolarHBondContact O-OE1 3.35Å; R471-Q476 VanDerWaalsContact O-OE1 3.08Å; I472-Q476 CarbonylContact O-C 3.19Å; I472-Q476 WeakPolarHBondContact O-CA 3.43Å; G473-Q476 PolarHBondContact O-N 2.65Å; Q476-H478 VanDerWaalsContact C-N 3.29Å; Q476-H478 PolarHBondContact O-N 3.34Å; Q476-G498 WeakPolarHBondContact O-CA 3.49Å
477Q93.2Very high93.7Very high86 Ų8670.2 Ų70.240%0.40236%0.36SS..  trans-76-5-176.672.8-167.60.200115.5I472 D475 G496 G498I472-Q477 PolarHBondContact O-N 3.05Å; D475-Q477 VanDerWaalsContact CG-CD 3.44Å; D475-Q477 PolarHBondContact O-N 2.84Å; D475-Q477 VanDerWaalsContact OD1-CB 3.26Å; D475-Q477 WeakPolarHBondContact OD1-CB 3.37Å; D475-Q477 WeakPolarHBondContact OD1-CG 3.33Å; D475-Q477 PolarHBondContact OD1-N 3.19Å; D475-Q477 PolarHBondContact OD1-OE1 3.08Å; D475-Q477 VanDerWaalsContact OD2-CD 3.3Å; D475-Q477 PolarHBondContact OD2-OE1 3.32Å; Q477-G496 CarbonylContact O-C 3.6Å; Q477-G496 WeakPolarHBondContact O-CA 3.15Å; Q477-G496 PolarHBondContact O-N 3.22Å; Q477-G498 PolarHBondContact O-N 3.42Å; Q477-G498 VanDerWaalsContact O-N 3.12Å
478H97.1Very high93.9Very high41 Ų4170 Ų7019%0.1936%0.361CS..EExtended strand (participates in β ladder)trans-126.2163.3-179.5-50.9-46.1000110.3R471 I472 Q476 G494 F495 G496R471-H478 CarbonylContact C-O 3.57Å; R471-H478 WeakPolarHBondContact CA-O 3.44Å; I472-H478 HydrophobicContact CD1-CB 4.38Å; I472-H478 HydrophobicContact CG1-CB 3.71Å; I472-H478 PolarHBondContact N-O 3.26Å; I472-H478 PolarHBondContact O-N 3.29Å; Q476-H478 VanDerWaalsContact C-N 3.29Å; Q476-H478 PolarHBondContact O-N 3.34Å; H478-G494 WeakPolarHBondContact CA-O 3.46Å; H478-G494 WeakPolarHBondContact CB-O 3.36Å; H478-F495 AromaticContact CD2-CD1 3.99Å; H478-F495 AromaticContact CE1-CD1 3.91Å; H478-F495 AromaticContact CG-CD1 3.95Å; H478-F495 WeakPolarHBondContact ND1-CA 3.38Å; H478-F495 AromaticContact ND1-CD1 3.93Å; H478-F495 AromaticContact NE2-CD1 3.98Å; H478-G496 PolarHBondContact ND1-N 3.04Å
479V97.7Very high94.1Very high0 Ų068.8 Ų68.80%035%0.352CS..EExtended strand (participates in β ladder)trans-123.1146.5178.9-61.10000111.5F469 K470 R471 F481 I493 G494 F497 I504F469-V479 HydrophobicContact CE1-CG1 4.2Å; F469-V479 HydrophobicContact CE2-CB 4.1Å; F469-V479 HydrophobicContact CE2-CG1 4.23Å; F469-V479 HydrophobicContact CZ-CB 3.82Å; F469-V479 HydrophobicContact CZ-CG1 3.5Å; F469-V479 VanDerWaalsContact CZ-CG1 3.5Å; K470-V479 WeakPolarHBondContact O-CA 3.06Å; R471-V479 HydrophobicContact CG-CG1 4.44Å; V479-F481 HydrophobicContact CB-CD1 4.43Å; V479-F481 HydrophobicContact CG2-CD1 4.07Å; V479-F481 HydrophobicContact CG2-CE1 3.87Å; V479-I493 WeakPolarHBondContact O-CA 3.44Å; V479-G494 PolarHBondContact N-O 2.9Å; V479-G494 PolarHBondContact O-N 3.39Å; V479-F497 HydrophobicContact CG1-CB 4.31Å; V479-F497 WeakPolarHBondContact CG1-O 3.37Å; V479-F497 HydrophobicContact CG2-CB 3.73Å; V479-I504 HydrophobicContact CG2-CD1 4.33Å
480K98.1Very high94.2Very high64 Ų6467.2 Ų67.228%0.27835%0.346SS..EExtended strand (participates in β ladder)trans-133.4131.8168.4-175.9168.9-173.5166.80109F469 K470 I472 A492F469-K480 CarbonylContact C-O 3.57Å; K470-K480 HydrophobicContact CG-CB 4.24Å; K470-K480 WeakPolarHBondContact CG-O 3.34Å; K470-K480 PolarHBondContact N-O 3.39Å; K470-K480 PolarHBondContact O-N 3.12Å; K470-K480 VanDerWaalsContact O-O 3.13Å; I472-K480 HydrophobicContact CD1-CB 4.14Å; I472-K480 HydrophobicContact CG2-CB 4.04Å; K480-A492 WeakPolarHBondContact CA-O 3.38Å
481F97.5Very high94.3Very high2 Ų263.3 Ų63.31%0.00933%0.33CS..EExtended strand (participates in β ladder)trans-153.2179.8-178.458.5-82.3000110I466 F469 V479 V483 A492 I504 F511 L530I466-F481 HydrophobicContact CD1-CD2 4.44Å; I466-F481 HydrophobicContact CG1-CD2 3.99Å; I466-F481 HydrophobicContact CG1-CE2 4.29Å; I466-F481 HydrophobicContact CG2-CB 4.17Å; I466-F481 HydrophobicContact CG2-CD2 4.36Å; F469-F481 HydrophobicContact CB-CB 4.09Å; F469-F481 HydrophobicContact CD2-CB 3.56Å; F469-F481 HydrophobicContact CD2-CD1 4.03Å; F469-F481 AromaticContact CD2-CG 3.91Å; F469-F481 HydrophobicContact CD2-CG 3.91Å; F469-F481 HydrophobicContact CE2-CB 4.36Å; F469-F481 AromaticContact CE2-CD1 3.98Å; F469-F481 HydrophobicContact CE2-CD1 3.98Å; F469-F481 HydrophobicContact CE2-CG 4.32Å; F469-F481 HydrophobicContact CG-CB 4.17Å; V479-F481 HydrophobicContact CB-CD1 4.43Å; V479-F481 HydrophobicContact CG2-CD1 4.07Å; V479-F481 HydrophobicContact CG2-CE1 3.87Å; F481-V483 HydrophobicContact CD2-CG2 3.94Å; F481-V483 HydrophobicContact CE2-CG2 3.57Å; F481-A492 HydrophobicContact CD1-CB 4.21Å; F481-A492 HydrophobicContact CD2-CB 3.91Å; F481-A492 HydrophobicContact CE1-CB 3.89Å; F481-A492 HydrophobicContact CE2-CB 3.6Å; F481-A492 HydrophobicContact CG-CB 4.21Å; F481-A492 HydrophobicContact CZ-CB 3.58Å; F481-A492 PolarHBondContact N-O 2.98Å; F481-A492 VanDerWaalsContact N-O 3.12Å; F481-A492 PolarHBondContact O-N 2.86Å; F481-I504 HydrophobicContact CE1-CG2 4.46Å; F481-I504 HydrophobicContact CZ-CG2 4.43Å; F481-F511 HydrophobicContact CE2-CD1 4.23Å; F481-F511 HydrophobicContact CE2-CE1 4.03Å; F481-F511 HydrophobicContact CE2-CZ 4.28Å; F481-F511 HydrophobicContact CZ-CD1 4.09Å; F481-F511 HydrophobicContact CZ-CE1 4.09Å; F481-L530 HydrophobicContact CE1-CD2 4.22Å; F481-L530 HydrophobicContact CZ-CD2 4.27Å
482S96.7Very high94.4Very high4 Ų459.5 Ų59.53%0.02832%0.316CS..EExtended strand (participates in β ladder)trans-125.9140.4170.5-69.90000108.9I466 N467 Q489 I490 D491I466-S482 CarbonylContact C-O 3.46Å; I466-S482 WeakPolarHBondContact CA-O 3.38Å; N467-S482 PolarHBondContact N-O 2.84Å; N467-S482 PolarHBondContact O-N 3.42Å; N467-S482 WeakPolarHBondContact OD1-CB 3.22Å; N467-S482 PolarHBondContact OD1-O 2.78Å; S482-Q489 VanDerWaalsContact CB-NE2 3.31Å; S482-Q489 PolarHBondContact OG-NE2 3.44Å; S482-Q489 VanDerWaalsContact OG-NE2 3.08Å; S482-I490 CarbonylContact C-O 3.58Å; S482-I490 WeakPolarHBondContact CA-O 3.37Å; S482-I490 WeakPolarHBondContact CB-O 3.49Å; S482-D491 PolarHBondContact OG-OD1 2.9Å
483V96.4Very high94.5Very high0 Ų058.3 Ų58.30%031%0.31CS..EExtended strand (participates in β ladder)trans-103.1126172-175.40000106.8L434 I462 F481 Q489 I490 F511L434-V483 HydrophobicContact CD1-CG1 4.18Å; L434-V483 HydrophobicContact CD2-CG1 4.31Å; I462-V483 HydrophobicContact CD1-CB 4.29Å; I462-V483 HydrophobicContact CD1-CG1 4.42Å; I462-V483 HydrophobicContact CD1-CG2 4.15Å; F481-V483 HydrophobicContact CD2-CG2 3.94Å; F481-V483 HydrophobicContact CE2-CG2 3.57Å; V483-Q489 VanDerWaalsContact O-CA 3.32Å; V483-Q489 WeakPolarHBondContact O-CA 3.24Å; V483-I490 HydrophobicContact CB-CG2 4.03Å; V483-I490 PolarHBondContact N-O 2.78Å; V483-I490 PolarHBondContact O-N 2.62Å; V483-F511 HydrophobicContact CG1-CD2 4.44Å; V483-F511 HydrophobicContact CG1-CE2 4.42Å; V483-F511 HydrophobicContact CG2-CD2 3.98Å; V483-F511 HydrophobicContact CG2-CE2 4.04Å
484K94.6Very high94.7Very high83 Ų8356.6 Ų56.636%0.36129%0.292SS..EExtended strand (participates in β ladder)trans-132148.2-176.866.7165.4-175.41790113.2N465 N467 S488 Q489N465-K484 HydrophobicContact CB-CG 4.29Å; N465-K484 PolarHBondContact N-O 2.94Å; N465-K484 VanDerWaalsContact O-CG 3.3Å; N465-K484 WeakPolarHBondContact O-CG 3.32Å; N465-K484 PolarHBondContact O-N 3.32Å; N467-K484 HydrophobicContact CB-CD 4.33Å; K484-S488 WeakPolarHBondContact CA-O 3.27Å; K484-Q489 HydrophobicContact CB-CB 4.09Å; K484-Q489 HydrophobicContact CB-CG 4.09Å
485N92Very high95.1Very high68 Ų6856 Ų5636%0.36427%0.273SS..  trans-119.5-163.716065.417.1000108.9L434 D487 S488L434-N485 HydrophobicContact CD1-CB 4.22Å; N485-D487 VanDerWaalsContact C-N 3.32Å; N485-D487 PolarHBondContact O-N 3.17Å; N485-D487 PolarHBondContact OD1-N 3.21Å; N485-D487 VanDerWaalsContact OD1-N 3.16Å; N485-S488 PolarHBondContact N-O 3.48Å; N485-S488 WeakPolarHBondContact OD1-CA 3.21Å; N485-S488 WeakPolarHBondContact OD1-CB 3.4Å; N485-S488 PolarHBondContact OD1-N 3.21Å; N485-S488 PolarHBondContact OD1-O 2.94Å
486E87.8Confident95.2Very high193 Ų19353.8 Ų53.890%0.90227%0.272SS*.SBendtrans-63.3-36.1-177.2-63.3-171.8163.400113
487D90.8Very high95.3Very high150 Ų15050.8 Ų50.880%0.80226%0.258SS*.SBendtrans-114.3-12.6-168.3-65.4-45.3000114.3N485N485-D487 VanDerWaalsContact C-N 3.32Å; N485-D487 PolarHBondContact O-N 3.17Å; N485-D487 PolarHBondContact OD1-N 3.21Å; N485-D487 VanDerWaalsContact OD1-N 3.16Å
488S95.4Very high95.4Very high32 Ų3246.7 Ų46.722%0.22424%0.239CC..  trans-144.7148-169-65.30000112.1K484 N485K484-S488 WeakPolarHBondContact CA-O 3.27Å; N485-S488 PolarHBondContact N-O 3.48Å; N485-S488 WeakPolarHBondContact OD1-CA 3.21Å; N485-S488 WeakPolarHBondContact OD1-CB 3.4Å; N485-S488 PolarHBondContact OD1-N 3.21Å; N485-S488 PolarHBondContact OD1-O 2.94Å
489Q95.8Very high95Very high96 Ų9650.7 Ų50.745%0.44926%0.262SS..EExtended strand (participates in β ladder)trans-144.2138177.1-179.5-179.6-45.500110N467 S482 V483 K484N467-Q489 PolarHBondContact ND2-OE1 3.16Å; S482-Q489 VanDerWaalsContact CB-NE2 3.31Å; S482-Q489 PolarHBondContact OG-NE2 3.44Å; S482-Q489 VanDerWaalsContact OG-NE2 3.08Å; V483-Q489 VanDerWaalsContact O-CA 3.32Å; V483-Q489 WeakPolarHBondContact O-CA 3.24Å; K484-Q489 HydrophobicContact CB-CB 4.09Å; K484-Q489 HydrophobicContact CB-CG 4.09Å
490I97Very high94.7Very high9 Ų954.1 Ų54.15%0.04628%0.278CS..EExtended strand (participates in β ladder)trans-124143.8172.3-175.2159000110.5L434 I437 I462 S482 V483 L515 V526 F528L434-I490 HydrophobicContact CD2-CG2 3.88Å; I437-I490 HydrophobicContact CB-CD1 4.37Å; I437-I490 HydrophobicContact CD1-CD1 4.23Å; I437-I490 HydrophobicContact CG2-CD1 3.5Å; I462-I490 HydrophobicContact CD1-CG2 4.01Å; S482-I490 CarbonylContact C-O 3.58Å; S482-I490 WeakPolarHBondContact CA-O 3.37Å; S482-I490 WeakPolarHBondContact CB-O 3.49Å; V483-I490 HydrophobicContact CB-CG2 4.03Å; V483-I490 PolarHBondContact N-O 2.78Å; V483-I490 PolarHBondContact O-N 2.62Å; I490-L515 HydrophobicContact CD1-CD2 3.95Å; I490-V526 HydrophobicContact CD1-CG1 4.01Å; I490-F528 HydrophobicContact CD1-CB 3.87Å; I490-F528 HydrophobicContact CG1-CB 4.12Å
491D97.2Very high94.4Very high31 Ų3151.5 Ų51.517%0.16627%0.267CS..EExtended strand (participates in β ladder)trans-84.4134.5171-68.51.7000109.3S482 K525 Q527 F528S482-D491 PolarHBondContact OG-OD1 2.9Å; D491-K525 IonicContact OD1-NZ 3.94Å; D491-K525 PolarHBondContact OD1-NZ 3.38Å; D491-K525 WeakPolarHBondContact OD2-CE 3.15Å; D491-K525 IonicContact OD2-NZ 3.93Å; D491-K525 PolarHBondContact OD2-NZ 2.86Å; D491-Q527 WeakPolarHBondContact O-CA 3.35Å; D491-F528 PolarHBondContact O-N 2.84Å
492A98.1Very high93.9Very high0 Ų052.6 Ų52.60%027%0.273CS..EExtended strand (participates in β ladder)trans-116.5147.3177.300000111.6K480 F481 F528K480-A492 WeakPolarHBondContact CA-O 3.38Å; F481-A492 HydrophobicContact CD1-CB 4.21Å; F481-A492 HydrophobicContact CD2-CB 3.91Å; F481-A492 HydrophobicContact CE1-CB 3.89Å; F481-A492 HydrophobicContact CE2-CB 3.6Å; F481-A492 HydrophobicContact CG-CB 4.21Å; F481-A492 HydrophobicContact CZ-CB 3.58Å; F481-A492 PolarHBondContact N-O 2.98Å; F481-A492 VanDerWaalsContact N-O 3.12Å; F481-A492 PolarHBondContact O-N 2.86Å; A492-F528 CarbonylContact C-O 3.45Å; A492-F528 WeakPolarHBondContact CA-O 3.38Å; A492-F528 HydrophobicContact CB-CB 4.21Å; A492-F528 HydrophobicContact CB-CD1 4.09Å
493I97.7Very high93.6Very high19 Ų1954.1 Ų54.110%0.09728%0.279CS..EExtended strand (participates in β ladder)trans-131.5132.8170.1-171164.9000109.7I472 V479 F495 Q527 F528 R529 L530I472-I493 HydrophobicContact CD1-CD1 4.01Å; I472-I493 HydrophobicContact CD1-CG1 4.37Å; V479-I493 WeakPolarHBondContact O-CA 3.44Å; I493-F495 HydrophobicContact CD1-CE1 3.87Å; I493-F495 HydrophobicContact CD1-CE2 4.17Å; I493-F495 HydrophobicContact CD1-CZ 3.56Å; I493-F495 HydrophobicContact CG1-CE1 4.36Å; I493-F495 HydrophobicContact CG1-CE2 4.23Å; I493-F495 HydrophobicContact CG1-CZ 4.07Å; I493-F495 HydrophobicContact CG2-CE2 4.23Å; I493-Q527 HydrophobicContact CG2-CG 4.03Å; I493-Q527 VanDerWaalsContact CG2-NE2 3.28Å; I493-F528 PolarHBondContact N-O 2.77Å; I493-R529 CarbonylContact O-C 3.51Å; I493-R529 WeakPolarHBondContact O-CA 3.43Å; I493-L530 PolarHBondContact O-N 2.86Å
494G97.5Very high93.5Very high0 Ų054.1 Ų54.10%028%0.279CS..EExtended strand (participates in β ladder)trans-124.3119.3174.900000110.3H478 V479H478-G494 WeakPolarHBondContact CA-O 3.46Å; H478-G494 WeakPolarHBondContact CB-O 3.36Å; V479-G494 PolarHBondContact N-O 2.9Å; V479-G494 PolarHBondContact O-N 3.39Å
495F94.4Very high93.3Very high114 Ų11452.8 Ų52.850%0.527%0.274SS..EExtended strand (participates in β ladder)trans-89.7119.8177.2-61.9-79.8000110H478 I493H478-F495 AromaticContact CD2-CD1 3.99Å; H478-F495 AromaticContact CE1-CD1 3.91Å; H478-F495 AromaticContact CG-CD1 3.95Å; H478-F495 WeakPolarHBondContact ND1-CA 3.38Å; H478-F495 AromaticContact ND1-CD1 3.93Å; H478-F495 AromaticContact NE2-CD1 3.98Å; I493-F495 HydrophobicContact CD1-CE1 3.87Å; I493-F495 HydrophobicContact CD1-CE2 4.17Å; I493-F495 HydrophobicContact CD1-CZ 3.56Å; I493-F495 HydrophobicContact CG1-CE1 4.36Å; I493-F495 HydrophobicContact CG1-CE2 4.23Å; I493-F495 HydrophobicContact CG1-CZ 4.07Å; I493-F495 HydrophobicContact CG2-CE2 4.23Å
496G92.2Very high93.3Very high46 Ų4649.8 Ų49.847%0.47426%0.258SS..SBendtrans99.7-13177.800000113Q477 H478 G498Q477-G496 CarbonylContact O-C 3.6Å; Q477-G496 WeakPolarHBondContact O-CA 3.15Å; Q477-G496 PolarHBondContact O-N 3.22Å; H478-G496 PolarHBondContact ND1-N 3.04Å; G496-G498 PolarHBondContact O-N 3.39Å; G496-G498 VanDerWaalsContact O-N 3.13Å
497F95.2Very high93.1Very high28 Ų2841.5 Ų41.512%0.12322%0.221CC..THydrogen-bonded Turntrans-80.717.3-177.3-72.8-77.3000114.9V479 D499 E500 I504 L530 V531 F533V479-F497 HydrophobicContact CG1-CB 4.31Å; V479-F497 WeakPolarHBondContact CG1-O 3.37Å; V479-F497 HydrophobicContact CG2-CB 3.73Å; F497-D499 VanDerWaalsContact C-N 3.33Å; F497-D499 PolarHBondContact O-N 2.84Å; F497-E500 WeakPolarHBondContact CA-OE2 3.46Å; F497-I504 HydrophobicContact CB-CD1 3.8Å; F497-I504 HydrophobicContact CD1-CD1 4.02Å; F497-I504 HydrophobicContact CG-CD1 4.21Å; F497-L530 HydrophobicContact CB-CD2 4.41Å; F497-L530 HydrophobicContact CD1-CD2 4.08Å; F497-L530 HydrophobicContact CD2-CD2 3.77Å; F497-L530 HydrophobicContact CD2-CG 4.21Å; F497-L530 HydrophobicContact CE1-CD2 4.27Å; F497-L530 HydrophobicContact CE2-CB 4.43Å; F497-L530 HydrophobicContact CE2-CD2 3.97Å; F497-L530 HydrophobicContact CE2-CG 3.95Å; F497-L530 HydrophobicContact CG-CD2 3.81Å; F497-L530 HydrophobicContact CZ-CD2 4.21Å; F497-L530 HydrophobicContact CZ-CG 4.19Å; F497-V531 WeakPolarHBondContact CZ-O 3.41Å; F497-F533 AromaticContact CD1-CD1 3.98Å; F497-F533 HydrophobicContact CD1-CD1 3.98Å; F497-F533 AromaticContact CD1-CE1 3.78Å; F497-F533 HydrophobicContact CD1-CE1 3.78Å; F497-F533 AromaticContact CE1-CD1 3.74Å; F497-F533 HydrophobicContact CE1-CD1 3.74Å; F497-F533 AromaticContact CE1-CE1 3.79Å; F497-F533 HydrophobicContact CE1-CE1 3.79Å
498G93.5Very high92.9Very high0 Ų038.6 Ų38.60%021%0.205CC..THydrogen-bonded Turntrans-58.8-47.1-176.700000111.4R471 Q476 Q477 G496 S501R471-G498 PolarHBondContact NE-O 3.1Å; R471-G498 PolarHBondContact NH1-O 3.11Å; R471-G498 PolarHBondContact NH2-O 2.98Å; Q476-G498 WeakPolarHBondContact O-CA 3.49Å; Q477-G498 PolarHBondContact O-N 3.42Å; Q477-G498 VanDerWaalsContact O-N 3.12Å; G496-G498 PolarHBondContact O-N 3.39Å; G496-G498 VanDerWaalsContact O-N 3.13Å; G498-S501 WeakPolarHBondContact O-CB 3.49Å; G498-S501 PolarHBondContact O-N 3.43Å; G498-S501 PolarHBondContact O-OG 3.06Å
499D89.4Confident92.8Very high126 Ų12637.2 Ų37.267%0.67420%0.196SC*.THydrogen-bonded Turntrans-74-31-173-69.2-28.6000112.5R471 F497 S501R471-D499 IonicContact NH1-OD1 3.19Å; F497-D499 VanDerWaalsContact C-N 3.33Å; F497-D499 PolarHBondContact O-N 2.84Å; D499-S501 PolarHBondContact O-N 3.13Å; D499-S501 VanDerWaalsContact O-N 3.17Å
500E91.5Very high92.8Very high72 Ų7236.5 Ų36.534%0.33619%0.189SC..THydrogen-bonded Turntrans-81.313179-57.286.1164.400113.6F497 E502 E503 I504 F533F497-E500 WeakPolarHBondContact CA-OE2 3.46Å; E500-E502 PolarHBondContact O-N 3.23Å; E500-E503 VanDerWaalsContact C-OE2 3.28Å; E500-E503 VanDerWaalsContact CA-OE2 3.32Å; E500-E503 WeakPolarHBondContact CA-OE2 3.36Å; E500-E503 PolarHBondContact O-N 2.73Å; E500-I504 HydrophobicContact CB-CD1 4.27Å; E500-I504 WeakPolarHBondContact O-CB 2.92Å; E500-I504 WeakPolarHBondContact O-CG1 3.25Å; E500-I504 PolarHBondContact O-N 2.65Å; E500-F533 HydrophobicContact CB-CE1 3.94Å; E500-F533 HydrophobicContact CB-CZ 3.82Å; E500-F533 HydrophobicContact CG-CE1 4.34Å; E500-F533 HydrophobicContact CG-CZ 4.33Å
501S91.5Very high92.9Very high8 Ų836.1 Ų36.16%0.05619%0.187CC..Hα-helixtrans-57.4-27-17562.50000114.3R471 G498 D499 Q505R471-S501 PolarHBondContact NE-OG 2.81Å; R471-S501 PolarHBondContact NH2-OG 2.85Å; G498-S501 WeakPolarHBondContact O-CB 3.49Å; G498-S501 PolarHBondContact O-N 3.43Å; G498-S501 PolarHBondContact O-OG 3.06Å; D499-S501 PolarHBondContact O-N 3.13Å; D499-S501 VanDerWaalsContact O-N 3.17Å; S501-Q505 VanDerWaalsContact O-CG 3.29Å; S501-Q505 WeakPolarHBondContact O-CG 3.38Å; S501-Q505 PolarHBondContact O-NE2 3.35Å
502E88Confident92.9Very high26 Ų2635.2 Ų35.212%0.12118%0.182CC..Hα-helixtrans-84.2-38.4-177-60.3-173138.900111.2E500 I504 Q505 Q506 I541 R543E500-E502 PolarHBondContact O-N 3.23Å; E502-I504 VanDerWaalsContact C-N 3.33Å; E502-Q505 PolarHBondContact O-N 3.33Å; E502-Q506 PolarHBondContact O-NE2 3.49Å; E502-I541 HydrophobicContact CB-CD1 3.97Å; E502-I541 HydrophobicContact CB-CG2 4.21Å; E502-I541 VanDerWaalsContact CD-CG2 3.43Å; E502-I541 HydrophobicContact CG-CG2 4.38Å; E502-I541 WeakPolarHBondContact OE2-CG2 3.3Å; E502-R543 IonicContact OE1-CZ 2.83Å; E502-R543 VanDerWaalsContact OE1-CZ 3.3Å; E502-R543 IonicContact OE1-NE 2.91Å; E502-R543 IonicContact OE1-NH1 3.46Å; E502-R543 PolarHBondContact OE1-NH1 3.23Å; E502-R543 IonicContact OE1-NH2 3.81Å; E502-R543 IonicContact OE2-CZ 3.77Å; E502-R543 IonicContact OE2-NE 2.86Å; E502-R543 IonicContact OE2-NH1 3.81Å; E502-R543 PolarHBondContact OE2-NH1 2.82Å; E502-R543 VanDerWaalsContact OE2-NH1 3.08Å; E502-R543 IonicContact OE2-NH2 3.47Å; E502-R543 PolarHBondContact OE2-NH2 2.71Å
503E90.3Very high92.9Very high36 Ų3635.2 Ų35.217%0.16818%0.182CC..Hα-helixtrans-66.9-35175.4-66.478.4-177.400111.8E500 Q506 F533 S535 R617E500-E503 VanDerWaalsContact C-OE2 3.28Å; E500-E503 VanDerWaalsContact CA-OE2 3.32Å; E500-E503 WeakPolarHBondContact CA-OE2 3.36Å; E500-E503 PolarHBondContact O-N 2.73Å; E503-Q506 VanDerWaalsContact O-CG 3.3Å; E503-Q506 WeakPolarHBondContact O-CG 3.27Å; E503-F533 HydrophobicContact CB-CE2 3.71Å; E503-F533 HydrophobicContact CB-CZ 3.84Å; E503-S535 PolarHBondContact O-OG 3.08Å; E503-R617 IonicContact OE1-CZ 3.71Å; E503-R617 IonicContact OE1-NH1 2.59Å; E503-R617 IonicContact OE1-NH2 2.78Å; E503-R617 PolarHBondContact OE1-NH2 3.31Å
504I93.7Very high92.8Very high0 Ų034.7 Ų34.70%018%0.18CC..Hα-helixtrans-67.6-37176-75.9169.2000111.6I466 F469 V479 F481 F497 E500 E502 Q506 T509 F511 L530 F533I466-I504 HydrophobicContact CD1-CG2 3.76Å; I466-I504 WeakPolarHBondContact CD1-O 3.17Å; F469-I504 HydrophobicContact CD2-CG2 4.29Å; F469-I504 HydrophobicContact CE2-CB 4.29Å; F469-I504 HydrophobicContact CE2-CG2 3.57Å; F469-I504 HydrophobicContact CZ-CG2 4.44Å; V479-I504 HydrophobicContact CG2-CD1 4.33Å; F481-I504 HydrophobicContact CE1-CG2 4.46Å; F481-I504 HydrophobicContact CZ-CG2 4.43Å; F497-I504 HydrophobicContact CB-CD1 3.8Å; F497-I504 HydrophobicContact CD1-CD1 4.02Å; F497-I504 HydrophobicContact CG-CD1 4.21Å; E500-I504 HydrophobicContact CB-CD1 4.27Å; E500-I504 WeakPolarHBondContact O-CB 2.92Å; E500-I504 WeakPolarHBondContact O-CG1 3.25Å; E500-I504 PolarHBondContact O-N 2.65Å; E502-I504 VanDerWaalsContact C-N 3.33Å; I504-Q506 PolarHBondContact O-N 3.4Å; I504-Q506 VanDerWaalsContact O-N 3.11Å; I504-T509 WeakPolarHBondContact O-CB 3.23Å; I504-T509 PolarHBondContact O-OG1 3.05Å; I504-T509 VanDerWaalsContact O-OG1 3.1Å; I504-F511 HydrophobicContact CG2-CE1 4.01Å; I504-L530 HydrophobicContact CD1-CD2 4.11Å; I504-F533 HydrophobicContact CD1-CD1 4.12Å; I504-F533 HydrophobicContact CD1-CE1 3.99Å; I504-F533 HydrophobicContact CD1-CZ 4.46Å; I504-F533 HydrophobicContact CG1-CD1 3.65Å; I504-F533 HydrophobicContact CG1-CD2 3.91Å; I504-F533 HydrophobicContact CG1-CE1 3.57Å; I504-F533 HydrophobicContact CG1-CE2 3.83Å; I504-F533 HydrophobicContact CG1-CG 3.83Å; I504-F533 HydrophobicContact CG1-CZ 3.68Å
505Q91.6Very high92.8Very high54 Ų5435.5 Ų35.525%0.25218%0.184SC..THydrogen-bonded Turntrans-80.315.7-172.2-72.81788600114.4I466 F469 S501 E502 R731I466-Q505 HydrophobicContact CD1-CG 4.4Å; I466-Q505 HydrophobicContact CG2-CG 4.46Å; F469-Q505 HydrophobicContact CB-CG 4.36Å; F469-Q505 HydrophobicContact CD1-CG 4.2Å; F469-Q505 HydrophobicContact CD2-CG 3.67Å; F469-Q505 HydrophobicContact CE1-CG 4.49Å; F469-Q505 HydrophobicContact CE2-CG 4Å; F469-Q505 HydrophobicContact CG-CG 3.8Å; F469-Q505 HydrophobicContact CZ-CG 4.39Å; S501-Q505 VanDerWaalsContact O-CG 3.29Å; S501-Q505 WeakPolarHBondContact O-CG 3.38Å; S501-Q505 PolarHBondContact O-NE2 3.35Å; E502-Q505 PolarHBondContact O-N 3.33Å; Q505-R731 PolarHBondContact O-NH1 3.45Å
506Q90.6Very high92.8Very high6 Ų633.7 Ų33.73%0.02818%0.177CC..  trans-75.5148.8-179.8-53.8-63.4-41.900110.7E502 E503 I504 D508 T509 Q539 V540E502-Q506 PolarHBondContact O-NE2 3.49Å; E503-Q506 VanDerWaalsContact O-CG 3.3Å; E503-Q506 WeakPolarHBondContact O-CG 3.27Å; I504-Q506 PolarHBondContact O-N 3.4Å; I504-Q506 VanDerWaalsContact O-N 3.11Å; Q506-D508 VanDerWaalsContact C-N 3.27Å; Q506-D508 PolarHBondContact O-N 3.23Å; Q506-T509 WeakPolarHBondContact CA-OG1 3.46Å; Q506-T509 WeakPolarHBondContact CB-OG1 3.48Å; Q506-T509 PolarHBondContact N-OG1 2.82Å; Q506-T509 PolarHBondContact O-N 3.49Å; Q506-T509 PolarHBondContact O-OG1 2.94Å; Q506-Q539 HydrophobicContact CG-CB 4.38Å; Q506-Q539 HydrophobicContact CG-CG 4.3Å; Q506-V540 PolarHBondContact NE2-O 3.05Å; Q506-V540 VanDerWaalsContact NE2-O 3.08Å
507P84.9Confident92.8Very high18 Ų1833 Ų3312%0.11716%0.162CC..THydrogen-bonded Turntrans-57.1-36.1-177.1-21.218.8000115.1Q728 R731 K735P507-Q728 VanDerWaalsContact CB-NE2 3.26Å; P507-R731 HydrophobicContact CG-CB 3.71Å; P507-K735 HydrophobicContact CG-CD 4.2Å
508D85.5Confident92.6Very high90 Ų9035.1 Ų35.148%0.48118%0.175SC..THydrogen-bonded Turntrans-10420.8-173-45.6-61.1000111.4Q506 R510 K735Q506-D508 VanDerWaalsContact C-N 3.27Å; Q506-D508 PolarHBondContact O-N 3.23Å; D508-R510 PolarHBondContact O-N 3.33Å; D508-K735 IonicContact OD2-NZ 2.99Å; D508-K735 PolarHBondContact OD2-NZ 3Å
509T93.7Very high92.3Very high3 Ų339.2 Ų39.22%0.01819%0.194CC..EExtended strand (participates in β ladder)trans-69.4126.6178.8-55.20000110.2I504 Q506 F511 F533 A534 S535I504-T509 WeakPolarHBondContact O-CB 3.23Å; I504-T509 PolarHBondContact O-OG1 3.05Å; I504-T509 VanDerWaalsContact O-OG1 3.1Å; Q506-T509 WeakPolarHBondContact CA-OG1 3.46Å; Q506-T509 WeakPolarHBondContact CB-OG1 3.48Å; Q506-T509 PolarHBondContact N-OG1 2.82Å; Q506-T509 PolarHBondContact O-N 3.49Å; Q506-T509 PolarHBondContact O-OG1 2.94Å; T509-F511 HydrophobicContact CG2-CD1 4.04Å; T509-F511 HydrophobicContact CG2-CE1 3.32Å; T509-F511 HydrophobicContact CG2-CE2 4.23Å; T509-F511 HydrophobicContact CG2-CZ 3.42Å; T509-F511 VanDerWaalsContact CG2-CZ 3.42Å; T509-F511 VanDerWaalsContact O-CE2 3.25Å; T509-F511 WeakPolarHBondContact O-CE2 2.98Å; T509-F533 HydrophobicContact CG2-CB 3.98Å; T509-F533 HydrophobicContact CG2-CD2 3.83Å; T509-F533 HydrophobicContact CG2-CG 4.33Å; T509-A534 CarbonylContact C-O 3.49Å; T509-A534 WeakPolarHBondContact CA-O 3.48Å; T509-S535 WeakPolarHBondContact CB-OG 3.46Å; T509-S535 WeakPolarHBondContact CG2-OG 3.29Å; T509-S535 PolarHBondContact OG1-OG 3.45Å
510R96.4Very high92.1Very high81 Ų8141.9 Ų41.931%0.30620%0.195SC..EExtended strand (participates in β ladder)trans-98139.1171.4-57.8-175.8-78.5145.9-4.2108.3L461 E463 D508 F533 A534 D536L461-R510 HydrophobicContact CD1-CB 4.29Å; L461-R510 HydrophobicContact CG-CB 4.44Å; E463-R510 HydrophobicContact CG-CG 4.07Å; E463-R510 WeakPolarHBondContact OE1-CD 3.5Å; E463-R510 WeakPolarHBondContact OE1-CG 3.05Å; D508-R510 PolarHBondContact O-N 3.33Å; R510-F533 CarbonylContact O-C 3.49Å; R510-F533 VanDerWaalsContact O-CA 3.23Å; R510-F533 WeakPolarHBondContact O-CA 3.5Å; R510-F533 WeakPolarHBondContact O-CB 3.3Å; R510-A534 PolarHBondContact N-O 3.41Å; R510-A534 PolarHBondContact O-N 3.39Å; R510-D536 IonicContact CZ-OD2 3.92Å; R510-D536 IonicContact NE-OD2 3.23Å; R510-D536 PolarHBondContact NE-OD2 3.43Å; R510-D536 IonicContact NH2-OD1 3.73Å; R510-D536 IonicContact NH2-OD2 3.04Å; R510-D536 PolarHBondContact NH2-OD2 3.43Å
511F97.8Very high91.8Very high0 Ų045.4 Ų45.40%022%0.216CC..EExtended strand (participates in β ladder)trans-117133.5-176.6-53.6-77.9000109.9L461 I462 I466 F481 V483 I504 T509 F528 L530 F533L461-F511 CarbonylContact C-O 3.54Å; L461-F511 VanDerWaalsContact CA-O 3.27Å; L461-F511 WeakPolarHBondContact CA-O 3.45Å; I462-F511 HydrophobicContact CG1-CB 3.86Å; I462-F511 HydrophobicContact CG1-CD2 4.36Å; I462-F511 PolarHBondContact N-O 2.78Å; I462-F511 PolarHBondContact O-N 3.34Å; I466-F511 HydrophobicContact CD1-CE1 4.07Å; I466-F511 HydrophobicContact CD1-CE2 4.41Å; I466-F511 HydrophobicContact CD1-CZ 3.45Å; I466-F511 VanDerWaalsContact CD1-CZ 3.45Å; I466-F511 HydrophobicContact CG1-CE2 4.32Å; I466-F511 HydrophobicContact CG1-CZ 3.81Å; F481-F511 HydrophobicContact CE2-CD1 4.23Å; F481-F511 HydrophobicContact CE2-CE1 4.03Å; F481-F511 HydrophobicContact CE2-CZ 4.28Å; F481-F511 HydrophobicContact CZ-CD1 4.09Å; F481-F511 HydrophobicContact CZ-CE1 4.09Å; V483-F511 HydrophobicContact CG1-CD2 4.44Å; V483-F511 HydrophobicContact CG1-CE2 4.42Å; V483-F511 HydrophobicContact CG2-CD2 3.98Å; V483-F511 HydrophobicContact CG2-CE2 4.04Å; I504-F511 HydrophobicContact CG2-CE1 4.01Å; T509-F511 HydrophobicContact CG2-CD1 4.04Å; T509-F511 HydrophobicContact CG2-CE1 3.32Å; T509-F511 HydrophobicContact CG2-CE2 4.23Å; T509-F511 HydrophobicContact CG2-CZ 3.42Å; T509-F511 VanDerWaalsContact CG2-CZ 3.42Å; T509-F511 VanDerWaalsContact O-CE2 3.25Å; T509-F511 WeakPolarHBondContact O-CE2 2.98Å; F511-F528 HydrophobicContact CB-CE1 3.79Å; F511-F528 HydrophobicContact CB-CZ 4Å; F511-L530 HydrophobicContact CB-CD1 4.01Å; F511-L530 HydrophobicContact CD1-CD1 3.84Å; F511-L530 HydrophobicContact CG-CD1 4.41Å; F511-F533 HydrophobicContact CD1-CB 3.99Å; F511-F533 HydrophobicContact CE1-CB 4.36Å
512V98Very high91.6Very high13 Ų1348 Ų488%0.07924%0.244CC..EExtended strand (participates in β ladder)trans-112.2135.4172.8-174.90000109L426 I428 H459 F460 L461 F528 V531 D532L426-V512 HydrophobicContact CD2-CB 4.04Å; L426-V512 HydrophobicContact CD2-CG1 3.54Å; L426-V512 HydrophobicContact CG-CG1 4.29Å; I428-V512 HydrophobicContact CD1-CG1 4.45Å; I428-V512 HydrophobicContact CD1-CG2 3.65Å; I428-V512 HydrophobicContact CG1-CG1 3.95Å; I428-V512 HydrophobicContact CG1-CG2 4.08Å; H459-V512 HydrophobicContact CB-CG1 4.04Å; F460-V512 WeakPolarHBondContact O-CA 3.23Å; L461-V512 HydrophobicContact CD1-CG2 4.47Å; V512-F528 VanDerWaalsContact C-CZ 3.43Å; V512-V531 PolarHBondContact O-N 3.44Å; V512-D532 HydrophobicContact CB-CB 4.47Å; V512-D532 PolarHBondContact N-O 3.3Å; V512-D532 PolarHBondContact O-N 2.94Å; V512-D532 VanDerWaalsContact O-N 3.08Å; V512-D532 VanDerWaalsContact O-O 3.1Å
513G97.8Very high91.7Very high0 Ų054.3 Ų54.30%027%0.273CS..EExtended strand (participates in β ladder)trans179.3177.1-175.800000115.1F460 R529F460-G513 PolarHBondContact N-O 3.46Å; F460-G513 PolarHBondContact O-N 2.81Å; G513-R529 CarbonylContact C-O 3.55Å; G513-R529 WeakPolarHBondContact CA-O 3.44Å
514D96.1Very high91.8Very high8 Ų857.2 Ų57.24%0.04329%0.285CS..EExtended strand (participates in β ladder)trans-98.6152.7-177.4-60.9-51.8000111.3P458 H459 F528 R529 V531P458-D514 VanDerWaalsContact O-OD1 3.12Å; H459-D514 IonicContact CE1-OD1 2.71Å; H459-D514 PolarHBondContact CE1-OD1 3.34Å; H459-D514 VanDerWaalsContact CE1-OD1 3.24Å; H459-D514 IonicContact CE1-OD2 2.77Å; H459-D514 IonicContact CG-OD1 3.46Å; H459-D514 IonicContact ND1-OD1 3.24Å; H459-D514 PolarHBondContact ND1-OD1 2.9Å; H459-D514 IonicContact ND1-OD2 3.91Å; D514-F528 CarbonylContact O-C 3.54Å; D514-F528 WeakPolarHBondContact O-CA 3.16Å; D514-R529 HydrophobicContact CB-CB 4.5Å; D514-R529 PolarHBondContact N-O 3.48Å; D514-R529 PolarHBondContact O-N 3.45Å; D514-R529 IonicContact OD2-CZ 3.79Å; D514-R529 VanDerWaalsContact OD2-CZ 3.26Å; D514-R529 IonicContact OD2-NE 3.86Å; D514-R529 IonicContact OD2-NH1 3.45Å; D514-R529 IonicContact OD2-NH2 3.39Å; D514-R529 PolarHBondContact OD2-NH2 3.23Å; D514-V531 WeakPolarHBondContact OD2-CG2 3.31Å
515L97.3Very high91.9Very high17 Ų1762 Ų629%0.08931%0.307CS..EExtended strand (participates in β ladder)trans-101.3121.5174.3-65.6176.4000110.9L432 I437 F441 V442 L445 F460 I490 V526 F528L432-L515 HydrophobicContact CD1-CD1 4.05Å; I437-L515 HydrophobicContact CD1-CD2 4.38Å; I437-L515 HydrophobicContact CG1-CD1 4.38Å; I437-L515 HydrophobicContact CG2-CD1 3.87Å; I437-L515 HydrophobicContact CG2-CD2 3.58Å; I437-L515 HydrophobicContact CG2-CG 4.38Å; F441-L515 HydrophobicContact CD1-CD1 3.82Å; F441-L515 HydrophobicContact CE1-CD1 3.69Å; V442-L515 HydrophobicContact CG1-CB 4.46Å; V442-L515 HydrophobicContact CG2-CB 3.85Å; V442-L515 HydrophobicContact CG2-CD1 4.32Å; L445-L515 HydrophobicContact CD1-CB 4.23Å; L445-L515 HydrophobicContact CD1-CD1 4.2Å; F460-L515 HydrophobicContact CD2-CD1 3.84Å; F460-L515 HydrophobicContact CD2-CG 3.81Å; F460-L515 HydrophobicContact CE2-CD1 3.93Å; F460-L515 HydrophobicContact CE2-CG 4.14Å; I490-L515 HydrophobicContact CD1-CD2 3.95Å; L515-V526 HydrophobicContact CD2-CG1 4.13Å; L515-F528 HydrophobicContact CD2-CD2 3.94Å
516E93.9Very high92.1Very high75 Ų7560.3 Ų60.335%0.3530%0.299SS..EExtended strand (participates in β ladder)trans-124.2158.2-177.8-66.1175.4-173.800111V526 Q527 R529E516-V526 WeakPolarHBondContact O-CA 3.36Å; E516-Q527 PolarHBondContact N-O 3.19Å; E516-Q527 PolarHBondContact O-N 2.82Å; E516-R529 VanDerWaalsContact OE1-CD 3.29Å; E516-R529 WeakPolarHBondContact OE1-CD 3.42Å; E516-R529 IonicContact OE1-CZ 3.49Å; E516-R529 IonicContact OE1-NE 3.98Å; E516-R529 PolarHBondContact OE1-NE 2.94Å
517I93.1Very high92.4Very high33 Ų3361 Ų6117%0.16930%0.303CS..EExtended strand (participates in β ladder)trans-102.8108.9172.8-61.7174.2000107.9L439 V442 E443 K524L439-I517 HydrophobicContact CD1-CD1 3.45Å; L439-I517 VanDerWaalsContact CD1-CD1 3.45Å; L439-I517 HydrophobicContact CD1-CG1 3.76Å; L439-I517 HydrophobicContact CD1-CG2 4Å; V442-I517 HydrophobicContact CB-CD1 4.22Å; V442-I517 HydrophobicContact CB-CG1 4.06Å; V442-I517 HydrophobicContact CG1-CD1 4Å; V442-I517 HydrophobicContact CG1-CG1 3.62Å; E443-I517 HydrophobicContact CG-CD1 3.81Å; E443-I517 WeakPolarHBondContact OE1-CD1 3.42Å; I517-K524 HydrophobicContact CG2-CB 3.8Å; I517-K524 HydrophobicContact CG2-CD 4.04Å; I517-K524 HydrophobicContact CG2-CG 3.87Å
518N90.4Very high93.1Very high71 Ų7160.2 Ų60.238%0.3830%0.297SS..EExtended strand (participates in β ladder)trans-83.6123.1168.7-175.721.9000109.2K524 K525 Q527N518-K524 WeakPolarHBondContact O-CA 3.5Å; N518-K525 PolarHBondContact N-O 3.39Å; N518-K525 PolarHBondContact O-N 3.3Å; N518-Q527 HydrophobicContact CB-CB 4.33Å
519E87.6Confident93.7Very high86 Ų8659.6 Ų59.640%0.40229%0.288SS..EExtended strand (participates in β ladder)trans-112115179.2-174.6175.3-156.300110.2K248 Q523 K524K248-E519 IonicContact NZ-OE2 3.82Å; K248-E519 PolarHBondContact NZ-OE2 3.2Å; E519-Q523 WeakPolarHBondContact CA-O 3.46Å; E519-K524 HydrophobicContact CB-CG 4.3Å; E519-K524 HydrophobicContact CG-CG 4.11Å
520W84Confident93.9Very high183 Ų18359.7 Ų59.769%0.69329%0.289SS*.EExtended strand (participates in β ladder)trans-132.6125.5179.1-176.3-93.1000110.9G522 Q523W520-G522 PolarHBondContact O-N 3.42Å; W520-G522 VanDerWaalsContact O-N 3.14Å; W520-Q523 PolarHBondContact N-O 3.26Å; W520-Q523 WeakPolarHBondContact O-CB 3.44Å; W520-Q523 PolarHBondContact O-N 2.87Å
521N86Confident93.8Very high146 Ų14657.9 Ų57.978%0.78129%0.286SS*.THydrogen-bonded Turntrans48.638.3-176.9-72.3-14000113.4Q523N521-Q523 PolarHBondContact O-N 3.26Å
522G86.5Confident93.7Very high63 Ų6361.6 Ų61.665%0.64931%0.306SS*.THydrogen-bonded Turntrans75.30.2-177.800000115.2W520W520-G522 PolarHBondContact O-N 3.42Å; W520-G522 VanDerWaalsContact O-N 3.14Å
523Q91.2Very high93.6Very high157 Ų15762.7 Ų62.773%0.73431%0.31SS*.EExtended strand (participates in β ladder)trans-90.6122.4170.6-64.7-173.3-500109.8E519 W520 N521E519-Q523 WeakPolarHBondContact CA-O 3.46Å; W520-Q523 PolarHBondContact N-O 3.26Å; W520-Q523 WeakPolarHBondContact O-CB 3.44Å; W520-Q523 PolarHBondContact O-N 2.87Å; N521-Q523 PolarHBondContact O-N 3.26Å
524K92.7Very high93.5Very high97 Ų9764.6 Ų64.642%0.42233%0.326SS..EExtended strand (participates in β ladder)trans-94.7127.3173.3-70.1-178.4171.2-171.10109.8L439 E443 I517 N518 E519L439-K524 HydrophobicContact CD1-CB 4.13Å; L439-K524 HydrophobicContact CD2-CB 4.26Å; E443-K524 IonicContact OE1-NZ 3.54Å; E443-K524 PolarHBondContact OE1-NZ 2.96Å; I517-K524 HydrophobicContact CG2-CB 3.8Å; I517-K524 HydrophobicContact CG2-CD 4.04Å; I517-K524 HydrophobicContact CG2-CG 3.87Å; N518-K524 WeakPolarHBondContact O-CA 3.5Å; E519-K524 HydrophobicContact CB-CG 4.3Å; E519-K524 HydrophobicContact CG-CG 4.11Å
525K94.8Very high93.2Very high102 Ų10265 Ų6544%0.44333%0.329SS..EExtended strand (participates in β ladder)trans-129.8140172.2-169.7179.6174.8-178.70109.3D491 N518D491-K525 IonicContact OD1-NZ 3.94Å; D491-K525 PolarHBondContact OD1-NZ 3.38Å; D491-K525 WeakPolarHBondContact OD2-CE 3.15Å; D491-K525 IonicContact OD2-NZ 3.93Å; D491-K525 PolarHBondContact OD2-NZ 2.86Å; N518-K525 PolarHBondContact N-O 3.39Å; N518-K525 PolarHBondContact O-N 3.3Å
526V96.6Very high92.6Very high17 Ų1768.5 Ų68.510%0.10335%0.348CS..EExtended strand (participates in β ladder)trans-70.4134.1170.7-178.40000109.3I437 L439 V442 I490 L515 E516I437-V526 HydrophobicContact CG2-CG1 3.68Å; L439-V526 HydrophobicContact CB-CG2 4.36Å; V442-V526 HydrophobicContact CG2-CB 4.39Å; V442-V526 HydrophobicContact CG2-CG1 3.68Å; V442-V526 HydrophobicContact CG2-CG2 3.78Å; I490-V526 HydrophobicContact CD1-CG1 4.01Å; L515-V526 HydrophobicContact CD2-CG1 4.13Å; E516-V526 WeakPolarHBondContact O-CA 3.36Å
527Q97.3Very high92.2Very high22 Ų2268 Ų6810%0.10336%0.363CS..EExtended strand (participates in β ladder)trans-126.9138.6176.4-177.8170.632.200109D491 I493 E516 N518D491-Q527 WeakPolarHBondContact O-CA 3.35Å; I493-Q527 HydrophobicContact CG2-CG 4.03Å; I493-Q527 VanDerWaalsContact CG2-NE2 3.28Å; E516-Q527 PolarHBondContact N-O 3.19Å; E516-Q527 PolarHBondContact O-N 2.82Å; N518-Q527 HydrophobicContact CB-CB 4.33Å
528F98.2Very high92.1Very high0 Ų067.9 Ų67.90%036%0.363CS..EExtended strand (participates in β ladder)trans-91.3119.4172.4-175.3-96000109.2I462 I490 D491 A492 I493 F511 V512 D514 L515 L530I462-F528 HydrophobicContact CD1-CB 4.46Å; I462-F528 HydrophobicContact CD1-CD1 4Å; I462-F528 HydrophobicContact CD1-CD2 3.7Å; I462-F528 HydrophobicContact CD1-CE1 4.05Å; I462-F528 HydrophobicContact CD1-CE2 3.75Å; I462-F528 HydrophobicContact CD1-CG 3.8Å; I462-F528 HydrophobicContact CD1-CZ 3.89Å; I462-F528 HydrophobicContact CG1-CD2 4.32Å; I462-F528 HydrophobicContact CG1-CE1 4.27Å; I462-F528 HydrophobicContact CG1-CE2 3.84Å; I462-F528 HydrophobicContact CG1-CZ 3.78Å; I462-F528 HydrophobicContact CG2-CE2 4.11Å; I490-F528 HydrophobicContact CD1-CB 3.87Å; I490-F528 HydrophobicContact CG1-CB 4.12Å; D491-F528 PolarHBondContact O-N 2.84Å; A492-F528 CarbonylContact C-O 3.45Å; A492-F528 WeakPolarHBondContact CA-O 3.38Å; A492-F528 HydrophobicContact CB-CB 4.21Å; A492-F528 HydrophobicContact CB-CD1 4.09Å; I493-F528 PolarHBondContact N-O 2.77Å; F511-F528 HydrophobicContact CB-CE1 3.79Å; F511-F528 HydrophobicContact CB-CZ 4Å; V512-F528 VanDerWaalsContact C-CZ 3.43Å; D514-F528 CarbonylContact O-C 3.54Å; D514-F528 WeakPolarHBondContact O-CA 3.16Å; L515-F528 HydrophobicContact CD2-CD2 3.94Å; F528-L530 HydrophobicContact CE1-CD1 4.09Å
529R97.7Very high92.2Very high78 Ų7865.9 Ų65.929%0.29435%0.351SS..EExtended strand (participates in β ladder)trans-91.4110.2172.2-175.6173.96478.5-6.2108.5I493 G513 D514 E516 V531I493-R529 CarbonylContact O-C 3.51Å; I493-R529 WeakPolarHBondContact O-CA 3.43Å; G513-R529 CarbonylContact C-O 3.55Å; G513-R529 WeakPolarHBondContact CA-O 3.44Å; D514-R529 HydrophobicContact CB-CB 4.5Å; D514-R529 PolarHBondContact N-O 3.48Å; D514-R529 PolarHBondContact O-N 3.45Å; D514-R529 IonicContact OD2-CZ 3.79Å; D514-R529 VanDerWaalsContact OD2-CZ 3.26Å; D514-R529 IonicContact OD2-NE 3.86Å; D514-R529 IonicContact OD2-NH1 3.45Å; D514-R529 IonicContact OD2-NH2 3.39Å; D514-R529 PolarHBondContact OD2-NH2 3.23Å; E516-R529 VanDerWaalsContact OE1-CD 3.29Å; E516-R529 WeakPolarHBondContact OE1-CD 3.42Å; E516-R529 IonicContact OE1-CZ 3.49Å; E516-R529 IonicContact OE1-NE 3.98Å; E516-R529 PolarHBondContact OE1-NE 2.94Å; R529-V531 PolarHBondContact O-N 2.73Å
530L98.1Very high92.5Very high5 Ų561.8 Ų61.83%0.02633%0.332CS..EExtended strand (participates in β ladder)trans-63.3124.8177.8-175.268.4000109.8F481 I493 F497 I504 F511 F528 D532 F533F481-L530 HydrophobicContact CE1-CD2 4.22Å; F481-L530 HydrophobicContact CZ-CD2 4.27Å; I493-L530 PolarHBondContact O-N 2.86Å; F497-L530 HydrophobicContact CB-CD2 4.41Å; F497-L530 HydrophobicContact CD1-CD2 4.08Å; F497-L530 HydrophobicContact CD2-CD2 3.77Å; F497-L530 HydrophobicContact CD2-CG 4.21Å; F497-L530 HydrophobicContact CE1-CD2 4.27Å; F497-L530 HydrophobicContact CE2-CB 4.43Å; F497-L530 HydrophobicContact CE2-CD2 3.97Å; F497-L530 HydrophobicContact CE2-CG 3.95Å; F497-L530 HydrophobicContact CG-CD2 3.81Å; F497-L530 HydrophobicContact CZ-CD2 4.21Å; F497-L530 HydrophobicContact CZ-CG 4.19Å; I504-L530 HydrophobicContact CD1-CD2 4.11Å; F511-L530 HydrophobicContact CB-CD1 4.01Å; F511-L530 HydrophobicContact CD1-CD1 3.84Å; F511-L530 HydrophobicContact CG-CD1 4.41Å; F528-L530 HydrophobicContact CE1-CD1 4.09Å; L530-D532 WeakPolarHBondContact CD1-O 3.29Å; L530-F533 HydrophobicContact CD1-CB 4.38Å
531V95.9Very high92.9Very high42 Ų4253.1 Ų53.126%0.25530%0.299SS..EExtended strand (participates in β ladder)trans-104.6-40.7173.2170.70000110.1L426 F497 V512 D514 R529L426-V531 HydrophobicContact CD1-CG1 4.18Å; L426-V531 HydrophobicContact CD2-CG1 4.05Å; F497-V531 WeakPolarHBondContact CZ-O 3.41Å; V512-V531 PolarHBondContact O-N 3.44Å; D514-V531 WeakPolarHBondContact OD2-CG2 3.31Å; R529-V531 PolarHBondContact O-N 2.73Å
532D95.3Very high93.3Very high78 Ų7848.1 Ų48.142%0.41727%0.272SS..EExtended strand (participates in β ladder)trans-158.4166.9178.3-158.71.6000111.2L426 V512 L530L426-D532 HydrophobicContact CD2-CB 3.84Å; V512-D532 HydrophobicContact CB-CB 4.47Å; V512-D532 PolarHBondContact N-O 3.3Å; V512-D532 PolarHBondContact O-N 2.94Å; V512-D532 VanDerWaalsContact O-N 3.08Å; V512-D532 VanDerWaalsContact O-O 3.1Å; L530-D532 WeakPolarHBondContact CD1-O 3.29Å
533F96.1Very high93.6Very high36 Ų3645.6 Ų45.616%0.15824%0.243CC..EExtended strand (participates in β ladder)trans-146.1154.9174.771.4-81.3000111.8F497 E500 E503 I504 T509 R510 F511 L530F497-F533 AromaticContact CD1-CD1 3.98Å; F497-F533 HydrophobicContact CD1-CD1 3.98Å; F497-F533 AromaticContact CD1-CE1 3.78Å; F497-F533 HydrophobicContact CD1-CE1 3.78Å; F497-F533 AromaticContact CE1-CD1 3.74Å; F497-F533 HydrophobicContact CE1-CD1 3.74Å; F497-F533 AromaticContact CE1-CE1 3.79Å; F497-F533 HydrophobicContact CE1-CE1 3.79Å; E500-F533 HydrophobicContact CB-CE1 3.94Å; E500-F533 HydrophobicContact CB-CZ 3.82Å; E500-F533 HydrophobicContact CG-CE1 4.34Å; E500-F533 HydrophobicContact CG-CZ 4.33Å; E503-F533 HydrophobicContact CB-CE2 3.71Å; E503-F533 HydrophobicContact CB-CZ 3.84Å; I504-F533 HydrophobicContact CD1-CD1 4.12Å; I504-F533 HydrophobicContact CD1-CE1 3.99Å; I504-F533 HydrophobicContact CD1-CZ 4.46Å; I504-F533 HydrophobicContact CG1-CD1 3.65Å; I504-F533 HydrophobicContact CG1-CD2 3.91Å; I504-F533 HydrophobicContact CG1-CE1 3.57Å; I504-F533 HydrophobicContact CG1-CE2 3.83Å; I504-F533 HydrophobicContact CG1-CG 3.83Å; I504-F533 HydrophobicContact CG1-CZ 3.68Å; T509-F533 HydrophobicContact CG2-CB 3.98Å; T509-F533 HydrophobicContact CG2-CD2 3.83Å; T509-F533 HydrophobicContact CG2-CG 4.33Å; R510-F533 CarbonylContact O-C 3.49Å; R510-F533 VanDerWaalsContact O-CA 3.23Å; R510-F533 WeakPolarHBondContact O-CA 3.5Å; R510-F533 WeakPolarHBondContact O-CB 3.3Å; F511-F533 HydrophobicContact CD1-CB 3.99Å; F511-F533 HydrophobicContact CE1-CB 4.36Å; L530-F533 HydrophobicContact CD1-CB 4.38Å
534A94.1Very high93.7Very high40 Ų4040.8 Ų40.833%0.33122%0.218SC..EExtended strand (participates in β ladder)trans-134.2130.4175.700000110.4T509 R510T509-A534 CarbonylContact C-O 3.49Å; T509-A534 WeakPolarHBondContact CA-O 3.48Å; R510-A534 PolarHBondContact N-O 3.41Å; R510-A534 PolarHBondContact O-N 3.39Å
535S90Very high93.7Very high17 Ų1738 Ų3812%0.11921%0.213CC..EExtended strand (participates in β ladder)trans-120.7105.4177.7-66.20000109.1E503 T509 Q539E503-S535 PolarHBondContact O-OG 3.08Å; T509-S535 WeakPolarHBondContact CB-OG 3.46Å; T509-S535 WeakPolarHBondContact CG2-OG 3.29Å; T509-S535 PolarHBondContact OG1-OG 3.45Å; S535-Q539 PolarHBondContact O-NE2 3Å
536D85.3Confident93.4Very high91 Ų9139.1 Ų39.149%0.48722%0.218SC..  trans-82.8149.8-178.7-65.6-47000112.1R510R510-D536 IonicContact CZ-OD2 3.92Å; R510-D536 IonicContact NE-OD2 3.23Å; R510-D536 PolarHBondContact NE-OD2 3.43Å; R510-D536 IonicContact NH2-OD1 3.73Å; R510-D536 IonicContact NH2-OD2 3.04Å; R510-D536 PolarHBondContact NH2-OD2 3.43Å
537G86.5Confident93Very high63 Ų6346.8 Ų46.865%0.64925%0.247SC*.SBendtrans75.6-156.6174.400000114.9Q539G537-Q539 PolarHBondContact O-N 3.25Å
538L90.4Very high92.5Very high32 Ų3246.1 Ų46.117%0.16824%0.244CC..  trans-62.2124.1-177.6169.263000111V540 F615 I618 K735L538-V540 HydrophobicContact CD2-CG2 4.18Å; L538-V540 HydrophobicContact CG-CG2 4.06Å; L538-F615 HydrophobicContact CD1-CB 4.31Å; L538-F615 WeakPolarHBondContact CD1-O 3.38Å; L538-I618 HydrophobicContact CD1-CB 4.3Å; L538-I618 HydrophobicContact CD1-CD1 3.77Å; L538-I618 HydrophobicContact CD1-CG1 3.68Å; L538-I618 HydrophobicContact CD2-CD1 3.87Å; L538-I618 HydrophobicContact CG-CD1 4.42Å; L538-K735 WeakPolarHBondContact O-CE 3.31Å; L538-K735 PolarHBondContact O-NZ 3.35Å
539Q92.1Very high92.2Very high28 Ų2847.1 Ų47.113%0.13125%0.248CC..EExtended strand (participates in β ladder)trans-98.6131.9172.2-56.3178-16.100109.8Q506 S535 G537 I541 T616 R617 I618Q506-Q539 HydrophobicContact CG-CB 4.38Å; Q506-Q539 HydrophobicContact CG-CG 4.3Å; S535-Q539 PolarHBondContact O-NE2 3Å; G537-Q539 PolarHBondContact O-N 3.25Å; Q539-I541 HydrophobicContact CB-CD1 4.47Å; Q539-T616 PolarHBondContact N-O 3.07Å; Q539-R617 HydrophobicContact CB-CG 4.22Å; Q539-R617 CarbonylContact O-C 3.53Å; Q539-R617 VanDerWaalsContact O-CA 3.29Å; Q539-R617 WeakPolarHBondContact O-CA 3.5Å; Q539-I618 PolarHBondContact O-N 2.84Å
540V93.8Very high91.6Very high0 Ų049.9 Ų49.90%027%0.268CS..EExtended strand (participates in β ladder)trans-115.6121.8178179.10000108.9Q506 L538 I618 L620 I727 R731 L734Q506-V540 PolarHBondContact NE2-O 3.05Å; Q506-V540 VanDerWaalsContact NE2-O 3.08Å; L538-V540 HydrophobicContact CD2-CG2 4.18Å; L538-V540 HydrophobicContact CG-CG2 4.06Å; V540-I618 CarbonylContact C-O 3.49Å; V540-I618 WeakPolarHBondContact CA-O 3.35Å; V540-I618 HydrophobicContact CG2-CB 4.46Å; V540-L620 HydrophobicContact CG1-CD1 3.51Å; V540-L620 HydrophobicContact CG1-CG 3.87Å; V540-I727 HydrophobicContact CG1-CD1 4.42Å; V540-R731 HydrophobicContact CB-CG 4.01Å; V540-R731 HydrophobicContact CG1-CG 4.34Å; V540-R731 PolarHBondContact O-NE 3.36Å; V540-R731 PolarHBondContact O-NH2 2.61Å; V540-L734 HydrophobicContact CG1-CD1 3.97Å; V540-L734 HydrophobicContact CG2-CB 4.48Å; V540-L734 HydrophobicContact CG2-CD1 3.92Å
541I93.4Very high91.1Very high1 Ų153 Ų531%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-110.1128.6-169-53.3-59.2000109.6E502 Q539 R543 I618 Y619 L620E502-I541 HydrophobicContact CB-CD1 3.97Å; E502-I541 HydrophobicContact CB-CG2 4.21Å; E502-I541 VanDerWaalsContact CD-CG2 3.43Å; E502-I541 HydrophobicContact CG-CG2 4.38Å; E502-I541 WeakPolarHBondContact OE2-CG2 3.3Å; Q539-I541 HydrophobicContact CB-CD1 4.47Å; I541-R543 HydrophobicContact CG2-CG 4.28Å; I541-R543 PolarHBondContact O-N 3.48Å; I541-I618 PolarHBondContact N-O 2.75Å; I541-Y619 HydrophobicContact CB-CD1 3.59Å; I541-Y619 HydrophobicContact CB-CE1 3.97Å; I541-Y619 HydrophobicContact CB-CG 4.25Å; I541-Y619 HydrophobicContact CG1-CD1 3.98Å; I541-Y619 HydrophobicContact CG1-CE1 3.85Å; I541-Y619 HydrophobicContact CG2-CD1 3.66Å; I541-Y619 HydrophobicContact CG2-CE1 3.96Å; I541-L620 PolarHBondContact O-N 3.32Å
542D92.6Very high90.5Very high41 Ų4156.9 Ų56.922%0.21930%0.302CS..EExtended strand (participates in β ladder)trans-85.7107.6-177.5-164.2-10.3000110.9R544 I727D542-R544 VanDerWaalsContact OD1-CB 3.29Å; D542-R544 WeakPolarHBondContact OD1-CB 3.17Å; D542-R544 VanDerWaalsContact OD1-CG 3.24Å; D542-R544 WeakPolarHBondContact OD1-CG 3.32Å; D542-R544 IonicContact OD1-CZ 2.67Å; D542-R544 PolarHBondContact OD1-N 3.04Å; D542-R544 IonicContact OD1-NE 3.76Å; D542-R544 PolarHBondContact OD1-NE 3.24Å; D542-R544 IonicContact OD1-NH2 3.88Å; D542-R544 IonicContact OD2-CZ 2.81Å; D542-R544 IonicContact OD2-NE 2.72Å; D542-R544 PolarHBondContact OD2-NE 2.66Å; D542-R544 IonicContact OD2-NH2 3.47Å; D542-R544 PolarHBondContact OD2-NH2 2.85Å; D542-I727 HydrophobicContact CB-CB 4.29Å; D542-I727 HydrophobicContact CB-CD1 3.78Å; D542-I727 HydrophobicContact CB-CG1 3.84Å
543R93.5Very high90.2Very high11 Ų1153.8 Ų53.84%0.04229%0.285CS..  trans-116.121.1175.7-61.6-66-176.4-153.29.6111.6E502 I541 A545 T548 W549 Q551 Y619 L620 Y621E502-R543 IonicContact OE1-CZ 2.83Å; E502-R543 VanDerWaalsContact OE1-CZ 3.3Å; E502-R543 IonicContact OE1-NE 2.91Å; E502-R543 IonicContact OE1-NH1 3.46Å; E502-R543 PolarHBondContact OE1-NH1 3.23Å; E502-R543 IonicContact OE1-NH2 3.81Å; E502-R543 IonicContact OE2-CZ 3.77Å; E502-R543 IonicContact OE2-NE 2.86Å; E502-R543 IonicContact OE2-NH1 3.81Å; E502-R543 PolarHBondContact OE2-NH1 2.82Å; E502-R543 VanDerWaalsContact OE2-NH1 3.08Å; E502-R543 IonicContact OE2-NH2 3.47Å; E502-R543 PolarHBondContact OE2-NH2 2.71Å; I541-R543 HydrophobicContact CG2-CG 4.28Å; I541-R543 PolarHBondContact O-N 3.48Å; R543-A545 PolarHBondContact O-N 2.81Å; R543-T548 VanDerWaalsContact CA-OG1 3.3Å; R543-T548 WeakPolarHBondContact CA-OG1 3.17Å; R543-T548 WeakPolarHBondContact CD-OG1 3.24Å; R543-T548 PolarHBondContact O-OG1 3.3Å; R543-W549 PolarHBondContact O-NE1 2.99Å; R543-Q551 VanDerWaalsContact NH1-CD 3.28Å; R543-Q551 VanDerWaalsContact NH2-OE1 3.09Å; R543-Y619 HydrophobicContact CG-CD1 4.17Å; R543-L620 CarbonylContact C-O 3.53Å; R543-L620 VanDerWaalsContact CA-O 3.23Å; R543-L620 WeakPolarHBondContact CA-O 3.39Å; R543-L620 WeakPolarHBondContact CB-O 3.41Å; R543-L620 PolarHBondContact N-O 2.88Å; R543-Y621 HydrophobicContact CB-CD2 3.37Å; R543-Y621 HydrophobicContact CB-CE2 3.44Å; R543-Y621 VanDerWaalsContact CB-CE2 3.44Å; R543-Y621 HydrophobicContact CB-CG 4.04Å; R543-Y621 HydrophobicContact CG-CD2 4.04Å; R543-Y621 HydrophobicContact CG-CE2 3.67Å
544R94Very high89.5Confident55 Ų5558.5 Ų58.521%0.20831%0.308CS..  trans-66.9-28.1-176.4-67.8177.3-69.5176.14.4112.3D542 L620 L622 L722 N725D542-R544 VanDerWaalsContact OD1-CB 3.29Å; D542-R544 WeakPolarHBondContact OD1-CB 3.17Å; D542-R544 VanDerWaalsContact OD1-CG 3.24Å; D542-R544 WeakPolarHBondContact OD1-CG 3.32Å; D542-R544 IonicContact OD1-CZ 2.67Å; D542-R544 PolarHBondContact OD1-N 3.04Å; D542-R544 IonicContact OD1-NE 3.76Å; D542-R544 PolarHBondContact OD1-NE 3.24Å; D542-R544 IonicContact OD1-NH2 3.88Å; D542-R544 IonicContact OD2-CZ 2.81Å; D542-R544 IonicContact OD2-NE 2.72Å; D542-R544 PolarHBondContact OD2-NE 2.66Å; D542-R544 IonicContact OD2-NH2 3.47Å; D542-R544 PolarHBondContact OD2-NH2 2.85Å; R544-L620 WeakPolarHBondContact CG-O 3.48Å; R544-L620 PolarHBondContact N-O 2.95Å; R544-L622 HydrophobicContact CG-CB 4.31Å; R544-L622 HydrophobicContact CG-CD1 3.95Å; R544-L722 WeakPolarHBondContact CD-O 3.46Å; R544-L722 PolarHBondContact NH1-O 3.02Å; R544-N725 PolarHBondContact NH1-O 3.34Å
545A91.1Very high88.9Confident39 Ų3959.1 Ų59.132%0.32232%0.318SS..SBendtrans-79.3123.9177.100000111R543 Y547 T548R543-A545 PolarHBondContact O-N 2.81Å; A545-Y547 HydrophobicContact CB-CD1 3.82Å; A545-Y547 HydrophobicContact CB-CE1 3.44Å; A545-Y547 VanDerWaalsContact CB-CE1 3.44Å; A545-Y547 PolarHBondContact O-N 3.08Å; A545-T548 HydrophobicContact CB-CG2 4.27Å; A545-T548 PolarHBondContact O-N 3.46Å; A545-T548 PolarHBondContact O-OG1 3.31Å
546K88.6Confident88.5Confident125 Ų12564.5 Ų64.554%0.54335%0.345SS..G310 helixtrans-55-29.6-173.4-177.3168.9-177.9176.70115.5T548 W549K546-T548 PolarHBondContact O-N 2.56Å; K546-W549 HydrophobicContact CB-CD2 4.38Å; K546-W549 HydrophobicContact CB-CH2 4.47Å; K546-W549 HydrophobicContact CB-CZ2 4.35Å; K546-W549 HydrophobicContact CD-CE3 4.35Å; K546-W549 HydrophobicContact CD-CH2 4.38Å; K546-W549 HydrophobicContact CD-CZ3 4Å; K546-W549 HydrophobicContact CG-CD2 4.04Å; K546-W549 HydrophobicContact CG-CE3 3.76Å; K546-W549 HydrophobicContact CG-CH2 4.22Å; K546-W549 HydrophobicContact CG-CZ2 4.48Å; K546-W549 HydrophobicContact CG-CZ3 3.85Å; K546-W549 WeakPolarHBondContact O-CB 3.29Å; K546-W549 PolarHBondContact O-N 3.05Å
547Y88.1Confident88.9Confident179 Ų17966.9 Ų66.970%0.70235%0.347SS*.G310 helixtrans-72.5-3.8179.373.1-94.2000113.6A545 D550A545-Y547 HydrophobicContact CB-CD1 3.82Å; A545-Y547 HydrophobicContact CB-CE1 3.44Å; A545-Y547 VanDerWaalsContact CB-CE1 3.44Å; A545-Y547 PolarHBondContact O-N 3.08Å; Y547-D550 VanDerWaalsContact O-OD1 3.08Å
548T88.6Confident89.3Confident7 Ų765.6 Ų65.64%0.04333%0.325CS..G310 helixtrans-99.7-4.3176.870.50000112.6R543 A545 K546 D550 Q551R543-T548 VanDerWaalsContact CA-OG1 3.3Å; R543-T548 WeakPolarHBondContact CA-OG1 3.17Å; R543-T548 WeakPolarHBondContact CD-OG1 3.24Å; R543-T548 PolarHBondContact O-OG1 3.3Å; A545-T548 HydrophobicContact CB-CG2 4.27Å; A545-T548 PolarHBondContact O-N 3.46Å; A545-T548 PolarHBondContact O-OG1 3.31Å; K546-T548 PolarHBondContact O-N 2.56Å; T548-D550 VanDerWaalsContact C-N 3.28Å; T548-D550 PolarHBondContact O-N 3.01Å; T548-Q551 WeakPolarHBondContact O-CB 3.23Å; T548-Q551 PolarHBondContact O-N 3.21Å
549W90.8Very high89.6Confident21 Ų2164.1 Ų64.18%0.0832%0.318CS..THydrogen-bonded Turntrans-73.9-18.8-172.5-68-0.8000114.1R543 K546 Y570 F571 Y621 Y623R543-W549 PolarHBondContact O-NE1 2.99Å; K546-W549 HydrophobicContact CB-CD2 4.38Å; K546-W549 HydrophobicContact CB-CH2 4.47Å; K546-W549 HydrophobicContact CB-CZ2 4.35Å; K546-W549 HydrophobicContact CD-CE3 4.35Å; K546-W549 HydrophobicContact CD-CH2 4.38Å; K546-W549 HydrophobicContact CD-CZ3 4Å; K546-W549 HydrophobicContact CG-CD2 4.04Å; K546-W549 HydrophobicContact CG-CE3 3.76Å; K546-W549 HydrophobicContact CG-CH2 4.22Å; K546-W549 HydrophobicContact CG-CZ2 4.48Å; K546-W549 HydrophobicContact CG-CZ3 3.85Å; K546-W549 WeakPolarHBondContact O-CB 3.29Å; K546-W549 PolarHBondContact O-N 3.05Å; W549-Y570 AromaticContact CZ3-CE1 3.95Å; W549-Y570 HydrophobicContact CZ3-CE1 3.95Å; W549-F571 HydrophobicContact CD2-CE1 4.33Å; W549-F571 AromaticContact CE3-CE1 3.98Å; W549-F571 HydrophobicContact CE3-CE1 3.98Å; W549-F571 HydrophobicContact CH2-CE1 4.33Å; W549-F571 HydrophobicContact CH2-CZ 4.11Å; W549-F571 HydrophobicContact CZ2-CZ 4.39Å; W549-F571 AromaticContact CZ3-CE1 3.98Å; W549-F571 HydrophobicContact CZ3-CE1 3.98Å; W549-F571 HydrophobicContact CZ3-CZ 4.2Å; W549-Y621 HydrophobicContact CB-CD1 4.28Å; W549-Y621 HydrophobicContact CB-CE1 3.58Å; W549-Y621 AromaticContact CD1-CD1 3.28Å; W549-Y621 AromaticContact CD1-CE1 3.33Å; W549-Y621 AromaticContact CD2-CD1 3.85Å; W549-Y621 HydrophobicContact CD2-CD1 3.85Å; W549-Y621 HydrophobicContact CD2-CE1 4.06Å; W549-Y621 AromaticContact CE2-CD1 3.77Å; W549-Y621 AromaticContact CG-CD1 3.57Å; W549-Y621 HydrophobicContact CG-CD1 3.57Å; W549-Y621 AromaticContact CG-CE1 3.37Å; W549-Y621 HydrophobicContact CG-CE1 3.37Å; W549-Y621 AromaticContact NE1-CD1 3.39Å; W549-Y621 AromaticContact NE1-CE1 3.96Å; W549-Y621 AromaticContact NE1-CG 3.92Å; W549-Y621 PolarHBondContact O-OH 2.86Å; W549-Y623 AromaticContact CH2-CD2 3.7Å; W549-Y623 HydrophobicContact CH2-CD2 3.7Å; W549-Y623 HydrophobicContact CH2-CE2 4.27Å; W549-Y623 HydrophobicContact CH2-CG 4.31Å; W549-Y623 HydrophobicContact CZ2-CD2 4.31Å
550D85.4Confident89.9Confident137 Ų13763.9 Ų63.973%0.73332%0.316SS*.THydrogen-bonded Turntrans-92.7-5.4176.860.8-24.1000112.9Y547 T548Y547-D550 VanDerWaalsContact O-OD1 3.08Å; T548-D550 VanDerWaalsContact C-N 3.28Å; T548-D550 PolarHBondContact O-N 3.01Å
551Q87.5Confident90Very high70 Ų7063.9 Ų63.933%0.32732%0.316SS..SBendtrans-66.3135.8175.3-62.8-173.419.500110.2R543 T548R543-Q551 VanDerWaalsContact NH1-CD 3.28Å; R543-Q551 VanDerWaalsContact NH2-OE1 3.09Å; T548-Q551 WeakPolarHBondContact O-CB 3.23Å; T548-Q551 PolarHBondContact O-N 3.21Å
552N84Confident90.3Very high123 Ų12363.9 Ų63.966%0.65832%0.316SS*.  trans-64.1140.6-177.3-168.536.1000110.8
553I88.8Confident90.4Very high14 Ų1463.6 Ų63.67%0.07231%0.312CS..  trans-110109.9171.2-63177.9000106.2I558 V595 Y619I553-I558 HydrophobicContact CB-CD1 4.39Å; I553-I558 HydrophobicContact CG2-CD1 3.7Å; I553-I558 HydrophobicContact CG2-CG1 4.38Å; I553-V595 HydrophobicContact CD1-CG2 3.59Å; I553-Y619 HydrophobicContact CD1-CD1 4.06Å; I553-Y619 HydrophobicContact CD1-CD2 4.1Å; I553-Y619 HydrophobicContact CD1-CE1 4.31Å; I553-Y619 HydrophobicContact CD1-CE2 4.35Å; I553-Y619 HydrophobicContact CD1-CG 3.96Å; I553-Y619 HydrophobicContact CG1-CD1 4.24Å; I553-Y619 HydrophobicContact CG1-CE1 4.04Å; I553-Y619 HydrophobicContact CG2-CD2 4.34Å; I553-Y619 HydrophobicContact CG2-CE1 4.29Å; I553-Y619 HydrophobicContact CG2-CE2 3.61Å
554E81.6Confident90.4Very high135 Ų13564.5 Ų64.563%0.63132%0.317SS*.  trans-80.1160.4-178.4-63.7-177.3171.200112.3Q593E554-Q593 PolarHBondContact O-NE2 2.9Å
555G80.4Confident90.5Very high52 Ų5265.2 Ų65.254%0.53633%0.328SS..SBendtrans90.5177.4178.700000114.3I558G555-I558 WeakPolarHBondContact O-CD1 3.21Å
556D82.6Confident90.6Very high131 Ų13170.4 Ų70.470%0.70134%0.343SS*.SBendtrans-105.5175.9-176.3-69.8-45.3000112.2I558D556-I558 PolarHBondContact O-N 3.07Å
557R92.9Very high90.9Very high140 Ų14064.5 Ų64.553%0.52832%0.317SS..  trans53.950.6173.7-59.7-171.1-71.5170.9-5.5113Y591 D592 Q593R557-Y591 CarbonylContact O-C 3.5Å; R557-Y591 VanDerWaalsContact O-CA 3.24Å; R557-Y591 WeakPolarHBondContact O-CA 3.5Å; R557-Y591 WeakPolarHBondContact O-CB 3.3Å; R557-D592 HydrophobicContact CB-CB 4.49Å; R557-D592 IonicContact CZ-OD1 2.76Å; R557-D592 IonicContact CZ-OD2 2.66Å; R557-D592 IonicContact NE-OD1 2.76Å; R557-D592 IonicContact NE-OD2 3.6Å; R557-D592 PolarHBondContact NE-OD2 3.41Å; R557-D592 IonicContact NH1-OD1 3.51Å; R557-D592 IonicContact NH2-OD1 2.9Å; R557-D592 PolarHBondContact NH2-OD1 3.34Å; R557-D592 IonicContact NH2-OD2 3.06Å; R557-D592 PolarHBondContact NH2-OD2 2.9Å; R557-D592 PolarHBondContact O-N 2.97Å; R557-Q593 PolarHBondContact O-N 2.84Å
558I95.5Very high91.3Very high36 Ų3658.3 Ų58.319%0.18530%0.295CS..EExtended strand (participates in β ladder)trans-93.2125.1179.3-53.2162.5000110.7I553 G555 D556 Y560 Q593 V595I553-I558 HydrophobicContact CB-CD1 4.39Å; I553-I558 HydrophobicContact CG2-CD1 3.7Å; I553-I558 HydrophobicContact CG2-CG1 4.38Å; G555-I558 WeakPolarHBondContact O-CD1 3.21Å; D556-I558 PolarHBondContact O-N 3.07Å; I558-Y560 HydrophobicContact CB-CE2 4.02Å; I558-Y560 HydrophobicContact CG2-CD2 3.96Å; I558-Y560 HydrophobicContact CG2-CE2 3.5Å; I558-Q593 HydrophobicContact CG1-CB 4.17Å; I558-Q593 HydrophobicContact CG2-CB 4.39Å; I558-V595 HydrophobicContact CG2-CG2 3.69Å
559L96.7Very high91.6Very high1 Ų165.2 Ų65.21%0.00533%0.325CS..EExtended strand (participates in β ladder)trans-95.6110.8172-179.256.5000111.2L561 T580 I586 W588 Y591 Q593 L594 V595L559-L561 HydrophobicContact CD2-CD1 4.44Å; L559-L561 HydrophobicContact CG-CB 4.32Å; L559-L561 PolarHBondContact O-N 3.39Å; L559-T580 HydrophobicContact CD1-CG2 4.22Å; L559-I586 HydrophobicContact CD2-CG2 4.12Å; L559-W588 HydrophobicContact CD2-CE3 3.95Å; L559-W588 HydrophobicContact CD2-CZ3 3.71Å; L559-Y591 HydrophobicContact CB-CD1 3.6Å; L559-Y591 HydrophobicContact CB-CD2 3.97Å; L559-Y591 HydrophobicContact CB-CE1 3.93Å; L559-Y591 HydrophobicContact CB-CE2 4.28Å; L559-Y591 HydrophobicContact CB-CG 3.61Å; L559-Y591 HydrophobicContact CD1-CE1 4.08Å; L559-Y591 HydrophobicContact CD1-CE2 3.99Å; L559-Y591 HydrophobicContact CD2-CD2 3.91Å; L559-Y591 HydrophobicContact CD2-CE2 4.01Å; L559-Y591 HydrophobicContact CD2-CG 4.39Å; L559-Y591 HydrophobicContact CG-CD2 4.35Å; L559-Y591 HydrophobicContact CG-CE2 4.31Å; L559-Y591 HydrophobicContact CG-CG 4.46Å; L559-Q593 PolarHBondContact N-O 3.27Å; L559-L594 HydrophobicContact CB-CD1 4.24Å; L559-L594 HydrophobicContact CD2-CD1 4.02Å; L559-L594 HydrophobicContact CG-CD1 4.1Å; L559-V595 PolarHBondContact O-N 3.43Å
560Y97.1Very high91.8Very high24 Ų2467.3 Ų67.39%0.09433%0.333CS..EExtended strand (participates in β ladder)trans-86.1100.1168.4-67.8-97.2000109.4I558 L575 K577 T580 V595 L597I558-Y560 HydrophobicContact CB-CE2 4.02Å; I558-Y560 HydrophobicContact CG2-CD2 3.96Å; I558-Y560 HydrophobicContact CG2-CE2 3.5Å; Y560-L575 HydrophobicContact CD1-CD1 3.98Å; Y560-L575 HydrophobicContact CE1-CD1 4.04Å; Y560-K577 HydrophobicContact CD2-CB 4.27Å; Y560-K577 HydrophobicContact CE1-CG 4.22Å; Y560-K577 HydrophobicContact CE2-CB 4.29Å; Y560-K577 HydrophobicContact CE2-CG 4.15Å; Y560-K577 HydrophobicContact CG-CB 4.42Å; Y560-T580 PolarHBondContact O-N 2.87Å; Y560-V595 HydrophobicContact CD1-CB 3.85Å; Y560-V595 HydrophobicContact CD1-CG1 3.93Å; Y560-V595 HydrophobicContact CD1-CG2 4.03Å; Y560-V595 HydrophobicContact CE1-CB 4.2Å; Y560-V595 HydrophobicContact CE1-CG1 4.18Å; Y560-V595 HydrophobicContact CE1-CG2 3.91Å; Y560-V595 HydrophobicContact CG-CB 4.33Å; Y560-L597 HydrophobicContact CD1-CD2 4.35Å
561L97.8Very high92.2Very high0 Ų060.8 Ų60.80%030%0.298CS..EExtended strand (participates in β ladder)trans-101.2128.4-173-170.870.3000111.3L559 F563 Y582 I586 W588 L594 V595 L597 I609L559-L561 HydrophobicContact CD2-CD1 4.44Å; L559-L561 HydrophobicContact CG-CB 4.32Å; L559-L561 PolarHBondContact O-N 3.39Å; L561-F563 HydrophobicContact CD2-CE1 4.12Å; L561-F563 HydrophobicContact CD2-CE2 4.5Å; L561-F563 HydrophobicContact CD2-CZ 3.86Å; L561-Y582 HydrophobicContact CD1-CD2 4.47Å; L561-Y582 HydrophobicContact CD2-CD2 4.33Å; L561-I586 HydrophobicContact CD1-CD1 3.89Å; L561-W588 HydrophobicContact CD2-CH2 4.45Å; L561-W588 HydrophobicContact CD2-CZ3 4.39Å; L561-L594 HydrophobicContact CB-CD1 3.71Å; L561-L594 HydrophobicContact CD2-CD1 4.05Å; L561-V595 PolarHBondContact N-O 2.95Å; L561-L597 VanDerWaalsContact O-CB 3.31Å; L561-L597 WeakPolarHBondContact O-CB 3.28Å; L561-L597 PolarHBondContact O-N 2.86Å; L561-I609 HydrophobicContact CD2-CD1 3.9Å
562A97.7Very high92.6Very high0 Ų060.4 Ų60.40%030%0.3CS..EExtended strand (participates in β ladder)trans-119.1141.4167.700000110.6Q568 V579 T580 L581 Y582 L597 D598A562-Q568 HydrophobicContact CB-CB 4.09Å; A562-V579 HydrophobicContact CB-CG1 3.73Å; A562-T580 PolarHBondContact N-O 2.93Å; A562-L581 CarbonylContact O-C 3.59Å; A562-L581 WeakPolarHBondContact O-CA 3.47Å; A562-Y582 PolarHBondContact O-N 3.07Å; A562-L597 HydrophobicContact CB-CD1 4.41Å; A562-D598 VanDerWaalsContact CA-OD1 3.24Å; A562-D598 WeakPolarHBondContact CA-OD1 3.48Å
563F95.9Very high93Very high35 Ų3562.7 Ų62.715%0.15430%0.304CS..SBendtrans-90.1-23.3173.8-59.8-80.6000112.1L561 Y582 V596 D598 P600 L605 I609L561-F563 HydrophobicContact CD2-CE1 4.12Å; L561-F563 HydrophobicContact CD2-CE2 4.5Å; L561-F563 HydrophobicContact CD2-CZ 3.86Å; F563-Y582 HydrophobicContact CD1-CD1 4.3Å; F563-Y582 HydrophobicContact CD1-CD2 4.38Å; F563-Y582 AromaticContact CD1-CG 3.85Å; F563-Y582 HydrophobicContact CD1-CG 3.85Å; F563-Y582 HydrophobicContact CE1-CD2 4.01Å; F563-Y582 AromaticContact CE1-CG 3.96Å; F563-Y582 HydrophobicContact CE1-CG 3.96Å; F563-V596 HydrophobicContact CE2-CG1 3.83Å; F563-D598 WeakPolarHBondContact CD2-O 3.15Å; F563-D598 WeakPolarHBondContact CD2-OD1 3.45Å; F563-D598 PolarHBondContact N-OD1 2.92Å; F563-P600 HydrophobicContact CD1-CB 4Å; F563-P600 HydrophobicContact CD2-CB 3.75Å; F563-P600 HydrophobicContact CD2-CG 4.41Å; F563-P600 HydrophobicContact CE1-CB 3.98Å; F563-P600 HydrophobicContact CE2-CB 3.72Å; F563-P600 HydrophobicContact CE2-CG 4.03Å; F563-P600 HydrophobicContact CG-CB 3.89Å; F563-P600 HydrophobicContact CZ-CB 3.84Å; F563-P600 HydrophobicContact CZ-CG 4.25Å; F563-L605 HydrophobicContact CD1-CD2 3.8Å; F563-L605 HydrophobicContact CE1-CD2 3.55Å; F563-L605 HydrophobicContact CE1-CG 4.08Å; F563-I609 HydrophobicContact CE1-CD1 3.83Å; F563-I609 HydrophobicContact CZ-CD1 3.96Å
564Q93.8Very high93.2Very high30 Ų3066.4 Ų66.414%0.1432%0.322CS..SBendtrans-116.2135-179.9-53.8-177.1300112.4K566 S567 Q568 D598 R715Q564-K566 PolarHBondContact O-N 3.46Å; Q564-K566 VanDerWaalsContact O-N 3.09Å; Q564-S567 WeakPolarHBondContact O-CB 3.46Å; Q564-S567 PolarHBondContact O-N 3.21Å; Q564-Q568 PolarHBondContact O-N 3.08Å; Q564-D598 VanDerWaalsContact CB-OD2 3.28Å; Q564-D598 WeakPolarHBondContact CB-OD2 3.39Å; Q564-D598 WeakPolarHBondContact CG-OD2 3.32Å; Q564-D598 PolarHBondContact N-OD2 3.16Å; Q564-R715 VanDerWaalsContact NE2-CZ 3.29Å
565T94.5Very high93.6Very high71 Ų7161.5 Ų61.544%0.43630%0.3SS..Hα-helixtrans-58-28.4177.2-46.50000113.1K569T565-K569 WeakPolarHBondContact O-CG 3.27Å; T565-K569 PolarHBondContact O-N 3.48Å
566K93.3Very high94.1Very high148 Ų14867.4 Ų67.464%0.64331%0.313SS*.Hα-helixtrans-67.6-45.2175-70-179.5-176.5171.40111.3Q564 K569 Y570Q564-K566 PolarHBondContact O-N 3.46Å; Q564-K566 VanDerWaalsContact O-N 3.09Å; K566-K569 PolarHBondContact O-N 2.86Å; K566-Y570 WeakPolarHBondContact O-CB 3.38Å; K566-Y570 PolarHBondContact O-N 3.3Å
567S94.9Very high94.5Very high0 Ų066.1 Ų66.10%030%0.301CS..Hα-helixtrans-66.3-42177.4-49.40000111Q564 K569 Y570 F571 D598Q564-S567 WeakPolarHBondContact O-CB 3.46Å; Q564-S567 PolarHBondContact O-N 3.21Å; S567-K569 PolarHBondContact O-N 3.16Å; S567-Y570 PolarHBondContact O-N 2.92Å; S567-Y570 VanDerWaalsContact O-N 3.13Å; S567-F571 WeakPolarHBondContact O-CD2 3.43Å; S567-F571 PolarHBondContact O-N 2.78Å; S567-D598 WeakPolarHBondContact CB-OD2 3.48Å; S567-D598 WeakPolarHBondContact OG-CB 3.29Å; S567-D598 PolarHBondContact OG-OD2 2.81Å
568Q96.4Very high94.5Very high50 Ų5065.2 Ų65.223%0.23431%0.312CS..Hα-helixtrans-51.2-55.2172.8-175.9-172.230.400110.9A562 Q564 Y570 F571 T572 V579A562-Q568 HydrophobicContact CB-CB 4.09Å; Q564-Q568 PolarHBondContact O-N 3.08Å; Q568-Y570 VanDerWaalsContact C-N 3.31Å; Q568-Y570 PolarHBondContact O-N 3.06Å; Q568-F571 PolarHBondContact O-N 2.99Å; Q568-T572 WeakPolarHBondContact O-CB 3.47Å; Q568-T572 PolarHBondContact O-N 2.59Å; Q568-T572 PolarHBondContact O-OG1 3.34Å; Q568-V579 HydrophobicContact CB-CG1 4.24Å; Q568-V579 HydrophobicContact CG-CB 4.04Å; Q568-V579 HydrophobicContact CG-CG1 3.92Å; Q568-V579 PolarHBondContact NE2-O 2.94Å
569K95.5Very high94.6Very high152 Ų15263.8 Ų63.866%0.66131%0.305SS*.Hα-helixtrans-60.9-38.3178.9-70.9174.8-179.2178.60113.1T565 K566 S567T565-K569 WeakPolarHBondContact O-CG 3.27Å; T565-K569 PolarHBondContact O-N 3.48Å; K566-K569 PolarHBondContact O-N 2.86Å; S567-K569 PolarHBondContact O-N 3.16Å
570Y94.9Very high94.6Very high64 Ų6465.8 Ų65.825%0.25132%0.317SS..Hα-helixtrans-64.9-55178.6174.2-108.8000111.1W549 K566 S567 Q568 K573 E574 Y623W549-Y570 AromaticContact CZ3-CE1 3.95Å; W549-Y570 HydrophobicContact CZ3-CE1 3.95Å; K566-Y570 WeakPolarHBondContact O-CB 3.38Å; K566-Y570 PolarHBondContact O-N 3.3Å; S567-Y570 PolarHBondContact O-N 2.92Å; S567-Y570 VanDerWaalsContact O-N 3.13Å; Q568-Y570 VanDerWaalsContact C-N 3.31Å; Q568-Y570 PolarHBondContact O-N 3.06Å; Y570-K573 WeakPolarHBondContact O-CB 3.35Å; Y570-K573 PolarHBondContact O-N 2.8Å; Y570-E574 PolarHBondContact O-N 2.92Å; Y570-E574 PolarHBondContact OH-OE1 3.34Å; Y570-Y623 HydrophobicContact CD1-CD1 4.4Å; Y570-Y623 HydrophobicContact CD1-CE1 4.07Å; Y570-Y623 HydrophobicContact CE1-CE1 4.38Å
571F95.2Very high94.6Very high0 Ų067.5 Ų67.50%033%0.327CS..Hα-helixtrans-73.1-30.2-176.2-76.4-70.4000113.9W549 S567 Q568 K573 E574 L575 V579 L597 Y621 Y623W549-F571 HydrophobicContact CD2-CE1 4.33Å; W549-F571 AromaticContact CE3-CE1 3.98Å; W549-F571 HydrophobicContact CE3-CE1 3.98Å; W549-F571 HydrophobicContact CH2-CE1 4.33Å; W549-F571 HydrophobicContact CH2-CZ 4.11Å; W549-F571 HydrophobicContact CZ2-CZ 4.39Å; W549-F571 AromaticContact CZ3-CE1 3.98Å; W549-F571 HydrophobicContact CZ3-CE1 3.98Å; W549-F571 HydrophobicContact CZ3-CZ 4.2Å; S567-F571 WeakPolarHBondContact O-CD2 3.43Å; S567-F571 PolarHBondContact O-N 2.78Å; Q568-F571 PolarHBondContact O-N 2.99Å; F571-K573 PolarHBondContact O-N 2.91Å; F571-E574 PolarHBondContact O-N 3.3Å; F571-L575 HydrophobicContact CB-CD1 4.32Å; F571-L575 HydrophobicContact CD1-CD1 3.9Å; F571-L575 HydrophobicContact CD1-CG 4.05Å; F571-L575 WeakPolarHBondContact O-CB 3.46Å; F571-L575 PolarHBondContact O-N 3.2Å; F571-V579 HydrophobicContact CB-CG2 4.03Å; F571-L597 HydrophobicContact CB-CD1 3.77Å; F571-L597 HydrophobicContact CB-CD2 4.23Å; F571-L597 HydrophobicContact CD1-CD2 3.85Å; F571-L597 HydrophobicContact CD2-CB 3.69Å; F571-L597 HydrophobicContact CD2-CD1 4.15Å; F571-L597 HydrophobicContact CD2-CD2 4.18Å; F571-L597 HydrophobicContact CD2-CG 4.25Å; F571-L597 HydrophobicContact CE1-CD2 4.17Å; F571-L597 HydrophobicContact CE2-CB 3.82Å; F571-L597 HydrophobicContact CE2-CD2 4.48Å; F571-L597 WeakPolarHBondContact CE2-O 3.17Å; F571-L597 HydrophobicContact CG-CB 4.21Å; F571-L597 HydrophobicContact CG-CD1 4.03Å; F571-L597 HydrophobicContact CG-CD2 3.84Å; F571-L597 HydrophobicContact CG-CG 4.27Å; F571-L597 HydrophobicContact CZ-CB 4.44Å; F571-L597 HydrophobicContact CZ-CD2 4.47Å; F571-Y621 AromaticContact CE1-CD1 3.92Å; F571-Y621 HydrophobicContact CE1-CD1 3.92Å; F571-Y621 HydrophobicContact CE1-CE1 4.45Å; F571-Y621 HydrophobicContact CZ-CD1 4.31Å; F571-Y623 AromaticContact CE2-CD1 3.83Å; F571-Y623 HydrophobicContact CE2-CD1 3.83Å; F571-Y623 AromaticContact CE2-CG 3.99Å; F571-Y623 HydrophobicContact CE2-CG 3.99Å; F571-Y623 HydrophobicContact CZ-CD1 4.28Å; F571-Y623 HydrophobicContact CZ-CG 4.02Å
572T94.8Very high94.5Very high62 Ų6270.5 Ų70.538%0.3834%0.339SS..Hα-helixtrans-57.4-37.4169.9-630000111.1Q568 Q576 V579Q568-T572 WeakPolarHBondContact O-CB 3.47Å; Q568-T572 PolarHBondContact O-N 2.59Å; Q568-T572 PolarHBondContact O-OG1 3.34Å; T572-Q576 WeakPolarHBondContact O-CA 3.38Å; T572-Q576 PolarHBondContact O-N 3.3Å; T572-V579 WeakPolarHBondContact OG1-CB 3.37Å
573K93.5Very high94.3Very high171 Ų17174 Ų7474%0.74336%0.358SS*.Hα-helixtrans-78.1-43.9176.3-175.5-177.8175-173.20112.2Y570 F571Y570-K573 WeakPolarHBondContact O-CB 3.35Å; Y570-K573 PolarHBondContact O-N 2.8Å; F571-K573 PolarHBondContact O-N 2.91Å
574E91.2Very high94.1Very high92 Ų9277.2 Ų77.243%0.4338%0.382SS..Hα-helixtrans-68.8-48.7-174.2-165.678.1157.800112.1Y570 F571Y570-E574 PolarHBondContact O-N 2.92Å; Y570-E574 PolarHBondContact OH-OE1 3.34Å; F571-E574 PolarHBondContact O-N 3.3Å
575L91.1Very high94Very high33 Ų3381.3 Ų81.317%0.17341%0.409CS..SBendtrans-89.7-13.5-175.8-56.2178.2000112.7Y560 F571 K577 L597 Y621Y560-L575 HydrophobicContact CD1-CD1 3.98Å; Y560-L575 HydrophobicContact CE1-CD1 4.04Å; F571-L575 HydrophobicContact CB-CD1 4.32Å; F571-L575 HydrophobicContact CD1-CD1 3.9Å; F571-L575 HydrophobicContact CD1-CG 4.05Å; F571-L575 WeakPolarHBondContact O-CB 3.46Å; F571-L575 PolarHBondContact O-N 3.2Å; L575-K577 HydrophobicContact CB-CB 4.3Å; L575-K577 HydrophobicContact CB-CG 4.01Å; L575-K577 WeakPolarHBondContact O-CG 3.42Å; L575-K577 PolarHBondContact O-N 2.87Å; L575-L597 HydrophobicContact CD1-CD2 3.7Å; L575-Y621 HydrophobicContact CD2-CE1 4.47Å
576Q91.3Very high94Very high175 Ų17579.1 Ų79.182%0.81840%0.395SS*.  trans5433.2-172-53.6-178.8800112.6T572T572-Q576 WeakPolarHBondContact O-CA 3.38Å; T572-Q576 PolarHBondContact O-N 3.3Å
577K90Very high94Very high104 Ų10475.6 Ų75.645%0.45239%0.386SS..SBendtrans-113.7156.9177.2-58.9-61.3-176.5171.90110.9Y560 L575 V579Y560-K577 HydrophobicContact CD2-CB 4.27Å; Y560-K577 HydrophobicContact CE1-CG 4.22Å; Y560-K577 HydrophobicContact CE2-CB 4.29Å; Y560-K577 HydrophobicContact CE2-CG 4.15Å; Y560-K577 HydrophobicContact CG-CB 4.42Å; L575-K577 HydrophobicContact CB-CB 4.3Å; L575-K577 HydrophobicContact CB-CG 4.01Å; L575-K577 WeakPolarHBondContact O-CG 3.42Å; L575-K577 PolarHBondContact O-N 2.87Å; K577-V579 PolarHBondContact O-N 2.72Å
578T93.6Very high93.9Very high122 Ų12276.4 Ų76.475%0.74839%0.389SS*.  trans-67.3120.8168-58.70000109
579V96.3Very high93.5Very high6 Ų678.1 Ų78.14%0.03641%0.407CS..  trans-109.5122.8177.1-179.40000109.6A562 Q568 F571 T572 K577 L597A562-V579 HydrophobicContact CB-CG1 3.73Å; Q568-V579 HydrophobicContact CB-CG1 4.24Å; Q568-V579 HydrophobicContact CG-CB 4.04Å; Q568-V579 HydrophobicContact CG-CG1 3.92Å; Q568-V579 PolarHBondContact NE2-O 2.94Å; F571-V579 HydrophobicContact CB-CG2 4.03Å; T572-V579 WeakPolarHBondContact OG1-CB 3.37Å; K577-V579 PolarHBondContact O-N 2.72Å; V579-L597 HydrophobicContact CB-CD1 4.19Å; V579-L597 HydrophobicContact CG1-CD1 3.32Å; V579-L597 HydrophobicContact CG2-CD1 3.77Å
580T97.2Very high93.4Very high42 Ų4275.4 Ų75.426%0.25840%0.399SS..EExtended strand (participates in β ladder)trans-89130178.6-58.50000109.5L559 Y560 A562 I586L559-T580 HydrophobicContact CD1-CG2 4.22Å; Y560-T580 PolarHBondContact O-N 2.87Å; A562-T580 PolarHBondContact N-O 2.93Å; T580-I586 HydrophobicContact CG2-CD1 3.84Å; T580-I586 HydrophobicContact CG2-CG1 4.43Å
581L97.5Very high93.4Very high61 Ų6175.2 Ų75.232%0.31940%0.399SS..EExtended strand (participates in β ladder)trans-79.2134.6169.9-170.572.2000108.4A562 D583A562-L581 CarbonylContact O-C 3.59Å; A562-L581 WeakPolarHBondContact O-CA 3.47Å; L581-D583 PolarHBondContact O-N 3.39Å
582Y96.6Very high93.3Very high62 Ų6277.3 Ų77.324%0.24341%0.41CS..PPolyproline II helixtrans-53.7128.4178.6172.6-96.8000111.6L561 A562 F563 P584 W588 L605 I609L561-Y582 HydrophobicContact CD1-CD2 4.47Å; L561-Y582 HydrophobicContact CD2-CD2 4.33Å; A562-Y582 PolarHBondContact O-N 3.07Å; F563-Y582 HydrophobicContact CD1-CD1 4.3Å; F563-Y582 HydrophobicContact CD1-CD2 4.38Å; F563-Y582 AromaticContact CD1-CG 3.85Å; F563-Y582 HydrophobicContact CD1-CG 3.85Å; F563-Y582 HydrophobicContact CE1-CD2 4.01Å; F563-Y582 AromaticContact CE1-CG 3.96Å; F563-Y582 HydrophobicContact CE1-CG 3.96Å; Y582-P584 HydrophobicContact CE1-CG 4.29Å; Y582-W588 AromaticContact CD2-CH2 3.98Å; Y582-W588 HydrophobicContact CD2-CH2 3.98Å; Y582-W588 AromaticContact CE2-CH2 3.88Å; Y582-W588 HydrophobicContact CE2-CH2 3.88Å; Y582-W588 AromaticContact CE2-CZ2 3.97Å; Y582-W588 HydrophobicContact CE2-CZ2 3.97Å; Y582-L605 HydrophobicContact CD1-CD2 4.21Å; Y582-L605 HydrophobicContact CE1-CD1 4.25Å; Y582-L605 HydrophobicContact CE1-CD2 3.95Å; Y582-L605 HydrophobicContact CE2-CD1 4.09Å; Y582-L605 HydrophobicContact CE2-CD2 4.43Å; Y582-L605 HydrophobicContact CE2-CG 4.5Å; Y582-L605 WeakPolarHBondContact OH-CD1 3.39Å; Y582-I609 HydrophobicContact CD2-CD1 3.82Å; Y582-I609 HydrophobicContact CE2-CD1 3.69Å; Y582-I609 HydrophobicContact CE2-CG1 4.13Å
583D93.8Very high93.3Very high74 Ų7474.9 Ų74.940%0.39639%0.394SS..  trans-143134.4173.3-172.9118.9000107.8L581 T585 I586L581-D583 PolarHBondContact O-N 3.39Å; D583-T585 PolarHBondContact O-N 3.49Å; D583-T585 VanDerWaalsContact OD2-CB 3.29Å; D583-T585 WeakPolarHBondContact OD2-CB 3.35Å; D583-T585 WeakPolarHBondContact OD2-CG2 3.43Å; D583-T585 PolarHBondContact OD2-N 2.96Å; D583-T585 PolarHBondContact OD2-OG1 3.33Å; D583-I586 HydrophobicContact CB-CG1 4.41Å; D583-I586 WeakPolarHBondContact O-CD1 3.43Å; D583-I586 VanDerWaalsContact O-CG1 3.26Å; D583-I586 WeakPolarHBondContact O-CG1 3.3Å; D583-I586 PolarHBondContact O-N 3.42Å; D583-I586 VanDerWaalsContact O-N 3.11Å
584P90.8Very high93.5Very high102 Ų10266.8 Ų66.866%0.66236%0.359SS*.THydrogen-bonded Turntrans-58.7-11.4178.1-24.434000115.5Y582Y582-P584 HydrophobicContact CE1-CG 4.29Å
585T92.4Very high93.8Very high116 Ų11662.4 Ų62.471%0.71234%0.338SS*.THydrogen-bonded Turntrans-88.3-1178.162.90000114.2D583 T587D583-T585 PolarHBondContact O-N 3.49Å; D583-T585 VanDerWaalsContact OD2-CB 3.29Å; D583-T585 WeakPolarHBondContact OD2-CB 3.35Å; D583-T585 WeakPolarHBondContact OD2-CG2 3.43Å; D583-T585 PolarHBondContact OD2-N 2.96Å; D583-T585 PolarHBondContact OD2-OG1 3.33Å; T585-T587 PolarHBondContact O-N 3Å
586I93.9Very high94.1Very high25 Ų2560.8 Ų60.813%0.12833%0.33CS..  trans-62.6127.4176.5-67167.5000109.9L559 L561 T580 D583 W588 Y591L559-I586 HydrophobicContact CD2-CG2 4.12Å; L561-I586 HydrophobicContact CD1-CD1 3.89Å; T580-I586 HydrophobicContact CG2-CD1 3.84Å; T580-I586 HydrophobicContact CG2-CG1 4.43Å; D583-I586 HydrophobicContact CB-CG1 4.41Å; D583-I586 WeakPolarHBondContact O-CD1 3.43Å; D583-I586 VanDerWaalsContact O-CG1 3.26Å; D583-I586 WeakPolarHBondContact O-CG1 3.3Å; D583-I586 PolarHBondContact O-N 3.42Å; D583-I586 VanDerWaalsContact O-N 3.11Å; I586-W588 HydrophobicContact CB-CE3 4.35Å; I586-W588 HydrophobicContact CB-CH2 4.09Å; I586-W588 HydrophobicContact CB-CZ2 4.33Å; I586-W588 HydrophobicContact CB-CZ3 4.12Å; I586-W588 HydrophobicContact CD1-CH2 4.17Å; I586-W588 HydrophobicContact CD1-CZ3 4.3Å; I586-W588 HydrophobicContact CG2-CD2 4.13Å; I586-W588 HydrophobicContact CG2-CE3 3.61Å; I586-W588 HydrophobicContact CG2-CH2 4.14Å; I586-W588 HydrophobicContact CG2-CZ3 3.64Å; I586-W588 PolarHBondContact O-N 3.3Å; I586-Y591 HydrophobicContact CG2-CE2 4.29Å
587T92.9Very high94.4Very high75 Ų7552.5 Ų52.546%0.4629%0.291SS..  trans-8296.6173-53.60000109.6T585 S589 D590T585-T587 PolarHBondContact O-N 3Å; T587-S589 VanDerWaalsContact CG2-OG 3.29Å; T587-S589 WeakPolarHBondContact CG2-OG 3.4Å; T587-S589 PolarHBondContact O-N 3.24Å; T587-D590 WeakPolarHBondContact CB-OD2 3.38Å; T587-D590 WeakPolarHBondContact O-CB 2.77Å; T587-D590 PolarHBondContact O-N 3.34Å
588W92.9Very high94.7Very high16 Ų1647.6 Ų47.66%0.06127%0.27CS..G310 helixtrans-60.4-29.3-176.1-50.4116.7000114.3L559 L561 Y582 I586 D590 Y591 I609 E612 F615L559-W588 HydrophobicContact CD2-CE3 3.95Å; L559-W588 HydrophobicContact CD2-CZ3 3.71Å; L561-W588 HydrophobicContact CD2-CH2 4.45Å; L561-W588 HydrophobicContact CD2-CZ3 4.39Å; Y582-W588 AromaticContact CD2-CH2 3.98Å; Y582-W588 HydrophobicContact CD2-CH2 3.98Å; Y582-W588 AromaticContact CE2-CH2 3.88Å; Y582-W588 HydrophobicContact CE2-CH2 3.88Å; Y582-W588 AromaticContact CE2-CZ2 3.97Å; Y582-W588 HydrophobicContact CE2-CZ2 3.97Å; I586-W588 HydrophobicContact CB-CE3 4.35Å; I586-W588 HydrophobicContact CB-CH2 4.09Å; I586-W588 HydrophobicContact CB-CZ2 4.33Å; I586-W588 HydrophobicContact CB-CZ3 4.12Å; I586-W588 HydrophobicContact CD1-CH2 4.17Å; I586-W588 HydrophobicContact CD1-CZ3 4.3Å; I586-W588 HydrophobicContact CG2-CD2 4.13Å; I586-W588 HydrophobicContact CG2-CE3 3.61Å; I586-W588 HydrophobicContact CG2-CH2 4.14Å; I586-W588 HydrophobicContact CG2-CZ3 3.64Å; I586-W588 PolarHBondContact O-N 3.3Å; W588-D590 PolarHBondContact O-N 2.93Å; W588-D590 VanDerWaalsContact O-N 3.16Å; W588-Y591 PolarHBondContact O-N 3.24Å; W588-Y591 VanDerWaalsContact O-N 3.15Å; W588-I609 HydrophobicContact CD2-CG2 4.3Å; W588-I609 HydrophobicContact CE3-CG2 3.97Å; W588-I609 HydrophobicContact CH2-CB 4.4Å; W588-I609 HydrophobicContact CH2-CD1 3.98Å; W588-I609 HydrophobicContact CH2-CG1 3.74Å; W588-I609 HydrophobicContact CH2-CG2 3.83Å; W588-I609 HydrophobicContact CZ2-CB 4.41Å; W588-I609 HydrophobicContact CZ2-CD1 4.38Å; W588-I609 HydrophobicContact CZ2-CG1 3.7Å; W588-I609 HydrophobicContact CZ2-CG2 4.17Å; W588-I609 HydrophobicContact CZ3-CG1 4.48Å; W588-I609 HydrophobicContact CZ3-CG2 3.71Å; W588-E612 HydrophobicContact CG-CB 4.47Å; W588-E612 PolarHBondContact NE1-OE2 3.36Å; W588-F615 HydrophobicContact CB-CZ 4.26Å; W588-F615 AromaticContact CE3-CZ 3.96Å; W588-F615 HydrophobicContact CE3-CZ 3.96Å
589S89.1Confident94.9Very high87 Ų8741.8 Ų41.861%0.60823%0.234SC*.G310 helixtrans-66.5-12179.759.20000114.7T587 Y591T587-S589 VanDerWaalsContact CG2-OG 3.29Å; T587-S589 WeakPolarHBondContact CG2-OG 3.4Å; T587-S589 PolarHBondContact O-N 3.24Å; S589-Y591 PolarHBondContact O-N 2.87Å
590D92.2Very high94.8Very high94 Ų9441.5 Ų41.550%0.50323%0.233SC..G310 helixtrans-75.3-8.4175.4-65.4-13.2000112T587 W588T587-D590 WeakPolarHBondContact CB-OD2 3.38Å; T587-D590 WeakPolarHBondContact O-CB 2.77Å; T587-D590 PolarHBondContact O-N 3.34Å; W588-D590 PolarHBondContact O-N 2.93Å; W588-D590 VanDerWaalsContact O-N 3.16Å
591Y94.8Very high94.5Very high61 Ų6142.4 Ų42.424%0.23924%0.236CC..  trans-127.5135.8-172-56.9-77.2000112R557 L559 I586 W588 S589R557-Y591 CarbonylContact O-C 3.5Å; R557-Y591 VanDerWaalsContact O-CA 3.24Å; R557-Y591 WeakPolarHBondContact O-CA 3.5Å; R557-Y591 WeakPolarHBondContact O-CB 3.3Å; L559-Y591 HydrophobicContact CB-CD1 3.6Å; L559-Y591 HydrophobicContact CB-CD2 3.97Å; L559-Y591 HydrophobicContact CB-CE1 3.93Å; L559-Y591 HydrophobicContact CB-CE2 4.28Å; L559-Y591 HydrophobicContact CB-CG 3.61Å; L559-Y591 HydrophobicContact CD1-CE1 4.08Å; L559-Y591 HydrophobicContact CD1-CE2 3.99Å; L559-Y591 HydrophobicContact CD2-CD2 3.91Å; L559-Y591 HydrophobicContact CD2-CE2 4.01Å; L559-Y591 HydrophobicContact CD2-CG 4.39Å; L559-Y591 HydrophobicContact CG-CD2 4.35Å; L559-Y591 HydrophobicContact CG-CE2 4.31Å; L559-Y591 HydrophobicContact CG-CG 4.46Å; I586-Y591 HydrophobicContact CG2-CE2 4.29Å; W588-Y591 PolarHBondContact O-N 3.24Å; W588-Y591 VanDerWaalsContact O-N 3.15Å; S589-Y591 PolarHBondContact O-N 2.87Å
592D93.2Very high94.4Very high43 Ų4345.4 Ų45.423%0.2325%0.248CC..SBendtrans-90.7-27.7172.6-63.1-35.8000111.3R557 F615 T616R557-D592 HydrophobicContact CB-CB 4.49Å; R557-D592 IonicContact CZ-OD1 2.76Å; R557-D592 IonicContact CZ-OD2 2.66Å; R557-D592 IonicContact NE-OD1 2.76Å; R557-D592 IonicContact NE-OD2 3.6Å; R557-D592 PolarHBondContact NE-OD2 3.41Å; R557-D592 IonicContact NH1-OD1 3.51Å; R557-D592 IonicContact NH2-OD1 2.9Å; R557-D592 PolarHBondContact NH2-OD1 3.34Å; R557-D592 IonicContact NH2-OD2 3.06Å; R557-D592 PolarHBondContact NH2-OD2 2.9Å; R557-D592 PolarHBondContact O-N 2.97Å; D592-F615 CarbonylContact O-C 2.97Å; D592-F615 VanDerWaalsContact O-CA 3.26Å; D592-F615 WeakPolarHBondContact O-CA 3.3Å; D592-T616 PolarHBondContact O-N 3.05Å; D592-T616 PolarHBondContact O-OG1 3.38Å
593Q95.8Very high94.3Very high12 Ų1244 Ų446%0.05624%0.244CC..EExtended strand (participates in β ladder)trans-131.4144.4-172.9-60.2-1757300111.3E554 R557 I558 L559 R617 Y619E554-Q593 PolarHBondContact O-NE2 2.9Å; R557-Q593 PolarHBondContact O-N 2.84Å; I558-Q593 HydrophobicContact CG1-CB 4.17Å; I558-Q593 HydrophobicContact CG2-CB 4.39Å; L559-Q593 PolarHBondContact N-O 3.27Å; Q593-R617 WeakPolarHBondContact CA-O 3.38Å; Q593-R617 HydrophobicContact CG-CB 4.1Å; Q593-Y619 HydrophobicContact CB-CE2 4.49Å; Q593-Y619 VanDerWaalsContact OE1-CE2 3.29Å; Q593-Y619 PolarHBondContact OE1-OH 3.45Å
594L97.1Very high94.3Very high0 Ų044.4 Ų44.40%025%0.245CC..EExtended strand (participates in β ladder)trans-122.8129.1179.6173.267.3000110.7L559 L561 V596 L606 I609 F615 R617 I618 Y619L559-L594 HydrophobicContact CB-CD1 4.24Å; L559-L594 HydrophobicContact CD2-CD1 4.02Å; L559-L594 HydrophobicContact CG-CD1 4.1Å; L561-L594 HydrophobicContact CB-CD1 3.71Å; L561-L594 HydrophobicContact CD2-CD1 4.05Å; L594-V596 HydrophobicContact CD2-CG2 3.91Å; L594-V596 HydrophobicContact CG-CG2 3.91Å; L594-L606 HydrophobicContact CD2-CD1 4.44Å; L594-I609 HydrophobicContact CD2-CG2 3.74Å; L594-F615 HydrophobicContact CB-CD1 3.86Å; L594-F615 HydrophobicContact CB-CD2 4.25Å; L594-F615 HydrophobicContact CB-CE1 3.81Å; L594-F615 HydrophobicContact CB-CE2 4.2Å; L594-F615 HydrophobicContact CB-CG 4.08Å; L594-F615 HydrophobicContact CB-CZ 3.99Å; L594-F615 HydrophobicContact CD1-CZ 4.49Å; L594-F615 HydrophobicContact CD2-CD2 4.3Å; L594-F615 HydrophobicContact CD2-CE2 3.88Å; L594-F615 HydrophobicContact CD2-CZ 4.16Å; L594-F615 HydrophobicContact CG-CZ 4.45Å; L594-R617 PolarHBondContact N-O 2.87Å; L594-I618 HydrophobicContact CB-CG1 4.14Å; L594-I618 HydrophobicContact CD2-CD1 4.4Å; L594-I618 HydrophobicContact CD2-CG1 4.23Å; L594-I618 HydrophobicContact CD2-CG2 4.46Å; L594-I618 CarbonylContact O-C 3.53Å; L594-I618 VanDerWaalsContact O-CA 3.27Å; L594-I618 WeakPolarHBondContact O-CA 3.41Å; L594-Y619 PolarHBondContact O-N 2.84Å
595V97.4Very high94.5Very high0 Ų041.1 Ų41.10%022%0.222CC..EExtended strand (participates in β ladder)trans-110.1111.2171.3-175.30000108.5I553 I558 L559 Y560 L561 L597 Y619 Y621I553-V595 HydrophobicContact CD1-CG2 3.59Å; I558-V595 HydrophobicContact CG2-CG2 3.69Å; L559-V595 PolarHBondContact O-N 3.43Å; Y560-V595 HydrophobicContact CD1-CB 3.85Å; Y560-V595 HydrophobicContact CD1-CG1 3.93Å; Y560-V595 HydrophobicContact CD1-CG2 4.03Å; Y560-V595 HydrophobicContact CE1-CB 4.2Å; Y560-V595 HydrophobicContact CE1-CG1 4.18Å; Y560-V595 HydrophobicContact CE1-CG2 3.91Å; Y560-V595 HydrophobicContact CG-CB 4.33Å; L561-V595 PolarHBondContact N-O 2.95Å; V595-L597 HydrophobicContact CG1-CD2 3.81Å; V595-L597 HydrophobicContact CG1-CG 4.35Å; V595-L597 PolarHBondContact O-N 2.8Å; V595-Y619 HydrophobicContact CG2-CD2 3.91Å; V595-Y619 HydrophobicContact CG2-CG 4.34Å; V595-Y621 HydrophobicContact CG1-CD2 3.7Å; V595-Y621 HydrophobicContact CG1-CE2 3.57Å
596V97.8Very high94.6Very high0 Ų035.6 Ų35.60%019%0.188CC..EExtended strand (participates in β ladder)trans-90.394.9-178.3-171.40000108.8F563 L594 L606 I618 Y619 L620 Y621 L622F563-V596 HydrophobicContact CE2-CG1 3.83Å; L594-V596 HydrophobicContact CD2-CG2 3.91Å; L594-V596 HydrophobicContact CG-CG2 3.91Å; V596-L606 HydrophobicContact CG1-CD1 4.14Å; V596-L606 HydrophobicContact CG1-CD2 4.46Å; V596-L606 HydrophobicContact CG2-CD1 3.55Å; V596-I618 HydrophobicContact CG2-CG2 3.84Å; V596-Y619 PolarHBondContact N-O 2.88Å; V596-L620 HydrophobicContact CB-CD2 4.05Å; V596-L620 HydrophobicContact CG2-CD2 3.92Å; V596-Y621 WeakPolarHBondContact O-CB 3.3Å; V596-Y621 PolarHBondContact O-N 3.46Å; V596-L622 HydrophobicContact CG1-CD2 3.91Å; V596-L622 PolarHBondContact O-N 2.85Å; V596-L622 VanDerWaalsContact O-N 3.1Å
597L97.8Very high94.6Very high0 Ų036.7 Ų36.70%019%0.192CC..EExtended strand (participates in β ladder)trans-73.6-41.4-167.9-69172.5000113.6Y560 L561 A562 F571 L575 V579 V595 Y621 L622 Y623Y560-L597 HydrophobicContact CD1-CD2 4.35Å; L561-L597 VanDerWaalsContact O-CB 3.31Å; L561-L597 WeakPolarHBondContact O-CB 3.28Å; L561-L597 PolarHBondContact O-N 2.86Å; A562-L597 HydrophobicContact CB-CD1 4.41Å; F571-L597 HydrophobicContact CB-CD1 3.77Å; F571-L597 HydrophobicContact CB-CD2 4.23Å; F571-L597 HydrophobicContact CD1-CD2 3.85Å; F571-L597 HydrophobicContact CD2-CB 3.69Å; F571-L597 HydrophobicContact CD2-CD1 4.15Å; F571-L597 HydrophobicContact CD2-CD2 4.18Å; F571-L597 HydrophobicContact CD2-CG 4.25Å; F571-L597 HydrophobicContact CE1-CD2 4.17Å; F571-L597 HydrophobicContact CE2-CB 3.82Å; F571-L597 HydrophobicContact CE2-CD2 4.48Å; F571-L597 WeakPolarHBondContact CE2-O 3.17Å; F571-L597 HydrophobicContact CG-CB 4.21Å; F571-L597 HydrophobicContact CG-CD1 4.03Å; F571-L597 HydrophobicContact CG-CD2 3.84Å; F571-L597 HydrophobicContact CG-CG 4.27Å; F571-L597 HydrophobicContact CZ-CB 4.44Å; F571-L597 HydrophobicContact CZ-CD2 4.47Å; L575-L597 HydrophobicContact CD1-CD2 3.7Å; V579-L597 HydrophobicContact CB-CD1 4.19Å; V579-L597 HydrophobicContact CG1-CD1 3.32Å; V579-L597 HydrophobicContact CG2-CD1 3.77Å; V595-L597 HydrophobicContact CG1-CD2 3.81Å; V595-L597 HydrophobicContact CG1-CG 4.35Å; V595-L597 PolarHBondContact O-N 2.8Å; L597-Y621 HydrophobicContact CD2-CD1 4.23Å; L597-Y621 HydrophobicContact CD2-CG 4.38Å; L597-Y621 WeakPolarHBondContact O-CB 3.49Å; L597-L622 PolarHBondContact O-N 3.48Å; L597-Y623 WeakPolarHBondContact O-CB 3.34Å; L597-Y623 PolarHBondContact O-N 3.02Å
598D96.9Very high94.6Very high1 Ų138.2 Ų38.21%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-127.4158.1179.661.7-15.6000112.6A562 F563 Q564 S567 Y623A562-D598 VanDerWaalsContact CA-OD1 3.24Å; A562-D598 WeakPolarHBondContact CA-OD1 3.48Å; F563-D598 WeakPolarHBondContact CD2-O 3.15Å; F563-D598 WeakPolarHBondContact CD2-OD1 3.45Å; F563-D598 PolarHBondContact N-OD1 2.92Å; Q564-D598 VanDerWaalsContact CB-OD2 3.28Å; Q564-D598 WeakPolarHBondContact CB-OD2 3.39Å; Q564-D598 WeakPolarHBondContact CG-OD2 3.32Å; Q564-D598 PolarHBondContact N-OD2 3.16Å; S567-D598 WeakPolarHBondContact CB-OD2 3.48Å; S567-D598 WeakPolarHBondContact OG-CB 3.29Å; S567-D598 PolarHBondContact OG-OD2 2.81Å; D598-Y623 WeakPolarHBondContact CA-O 3.49Å; D598-Y623 WeakPolarHBondContact CB-O 3.43Å
599C95.8Very high94.7Very high1 Ų137.6 Ų37.61%0.00719%0.192CC..  trans-70.2124.7179.1-171.80000109.8Y623 S718 E719C599-Y623 PolarHBondContact N-O 3.49Å; C599-Y623 VanDerWaalsContact N-O 3.11Å; C599-S718 PolarHBondContact SG-OG 2.94Å; C599-E719 HydrophobicContact CB-CG 4.46Å
600P95.2Very high94.9Very high0 Ų033.9 Ų33.90%017%0.166CC..  trans-66.2153.5175.427.9-34.5000111.1F563 Q602 L606 S718 L722F563-P600 HydrophobicContact CD1-CB 4Å; F563-P600 HydrophobicContact CD2-CB 3.75Å; F563-P600 HydrophobicContact CD2-CG 4.41Å; F563-P600 HydrophobicContact CE1-CB 3.98Å; F563-P600 HydrophobicContact CE2-CB 3.72Å; F563-P600 HydrophobicContact CE2-CG 4.03Å; F563-P600 HydrophobicContact CG-CB 3.89Å; F563-P600 HydrophobicContact CZ-CB 3.84Å; F563-P600 HydrophobicContact CZ-CG 4.25Å; P600-Q602 WeakPolarHBondContact CB-O 3.27Å; P600-Q602 WeakPolarHBondContact CG-O 3.34Å; P600-Q602 PolarHBondContact O-N 3.39Å; P600-L606 HydrophobicContact CG-CB 4.26Å; P600-S718 VanDerWaalsContact O-CB 3.27Å; P600-S718 WeakPolarHBondContact O-CB 3.24Å; P600-S718 PolarHBondContact O-OG 3.4Å; P600-L722 HydrophobicContact CG-CD1 4.08Å
601D91.8Very high94.8Very high60 Ų6034.6 Ų34.632%0.32117%0.17SC..SBendtrans-64.4-26.2175.1-75.8-17000112A714 R715D601-A714 CarbonylContact O-C 3.05Å; D601-A714 WeakPolarHBondContact O-CB 3.45Å; D601-R715 VanDerWaalsContact O-CA 3.28Å; D601-R715 WeakPolarHBondContact O-CA 3.37Å; D601-R715 PolarHBondContact O-N 3.16Å; D601-R715 WeakPolarHBondContact OD1-CD 3.45Å
602Q93.6Very high94.6Very high124 Ų12437.8 Ų37.858%0.57919%0.187SC*.SBendtrans-126.2124.2172.4-59.5-171.1-83.100108.9P600 D604 L605 A714P600-Q602 WeakPolarHBondContact CB-O 3.27Å; P600-Q602 WeakPolarHBondContact CG-O 3.34Å; P600-Q602 PolarHBondContact O-N 3.39Å; Q602-D604 VanDerWaalsContact C-N 3.28Å; Q602-D604 PolarHBondContact O-N 2.7Å; Q602-L605 WeakPolarHBondContact O-CB 3.43Å; Q602-L605 PolarHBondContact O-N 3.24Å; Q602-A714 HydrophobicContact CG-CB 4.07Å
603K94.6Very high94.3Very high34 Ų3436 Ų3615%0.14818%0.179CC..Hα-helixtrans-61.1-37.9179.165.1-168.3-178.5-152.80112.4L605 L606 D717 S718 F721 L722 W733K603-L605 PolarHBondContact O-N 2.96Å; K603-L605 VanDerWaalsContact O-N 3.09Å; K603-L606 WeakPolarHBondContact O-CB 3.37Å; K603-L606 PolarHBondContact O-N 3.23Å; K603-D717 WeakPolarHBondContact CE-OD2 3.46Å; K603-D717 IonicContact NZ-OD1 2.77Å; K603-D717 PolarHBondContact NZ-OD1 3.35Å; K603-D717 IonicContact NZ-OD2 3.89Å; K603-D717 PolarHBondContact NZ-OD2 2.8Å; K603-S718 PolarHBondContact N-OG 3.44Å; K603-F721 HydrophobicContact CD-CB 3.72Å; K603-F721 HydrophobicContact CD-CD1 3.98Å; K603-F721 HydrophobicContact CD-CG 3.82Å; K603-L722 HydrophobicContact CB-CD1 4.09Å; K603-L722 HydrophobicContact CB-CG 4.3Å; K603-W733 HydrophobicContact CB-CH2 4.17Å; K603-W733 HydrophobicContact CB-CZ2 4.19Å; K603-W733 HydrophobicContact CG-CZ2 4.17Å; K603-W733 WeakPolarHBondContact O-CH2 3.48Å
604D94.9Very high93.9Very high81 Ų8140.6 Ų40.643%0.43321%0.213SC..Hα-helixtrans-58.8-28.1-177.4-59.7-48.3000112.7Q602 L606 K607 E608Q602-D604 VanDerWaalsContact C-N 3.28Å; Q602-D604 PolarHBondContact O-N 2.7Å; D604-L606 VanDerWaalsContact C-N 3.28Å; D604-L606 PolarHBondContact O-N 3.31Å; D604-K607 WeakPolarHBondContact O-CB 3.21Å; D604-K607 PolarHBondContact O-N 3.24Å; D604-K607 VanDerWaalsContact O-N 3.08Å; D604-E608 WeakPolarHBondContact O-CG 3.45Å; D604-E608 PolarHBondContact O-N 3.23Å
605L94.4Very high93.7Very high33 Ų3341.2 Ų41.217%0.17322%0.215CC..Hα-helixtrans-58.7-40.1173.7-177.359.7000112.3F563 Y582 Q602 K603 K607 E608 I609F563-L605 HydrophobicContact CD1-CD2 3.8Å; F563-L605 HydrophobicContact CE1-CD2 3.55Å; F563-L605 HydrophobicContact CE1-CG 4.08Å; Y582-L605 HydrophobicContact CD1-CD2 4.21Å; Y582-L605 HydrophobicContact CE1-CD1 4.25Å; Y582-L605 HydrophobicContact CE1-CD2 3.95Å; Y582-L605 HydrophobicContact CE2-CD1 4.09Å; Y582-L605 HydrophobicContact CE2-CD2 4.43Å; Y582-L605 HydrophobicContact CE2-CG 4.5Å; Y582-L605 WeakPolarHBondContact OH-CD1 3.39Å; Q602-L605 WeakPolarHBondContact O-CB 3.43Å; Q602-L605 PolarHBondContact O-N 3.24Å; K603-L605 PolarHBondContact O-N 2.96Å; K603-L605 VanDerWaalsContact O-N 3.09Å; L605-K607 VanDerWaalsContact C-N 3.31Å; L605-K607 PolarHBondContact O-N 2.89Å; L605-E608 PolarHBondContact O-N 3.11Å; L605-I609 HydrophobicContact CD1-CD1 4.35Å; L605-I609 HydrophobicContact CG-CD1 4.02Å; L605-I609 WeakPolarHBondContact O-CD1 3.31Å; L605-I609 WeakPolarHBondContact O-CG1 3.45Å; L605-I609 PolarHBondContact O-N 2.92Å
606L95.4Very high93.4Very high0 Ų044.7 Ų44.70%024%0.237CC..Hα-helixtrans-66.6-36.5177.3176.159.9000111.4L594 V596 P600 K603 D604 A610 L620 L722 W733 L734L594-L606 HydrophobicContact CD2-CD1 4.44Å; V596-L606 HydrophobicContact CG1-CD1 4.14Å; V596-L606 HydrophobicContact CG1-CD2 4.46Å; V596-L606 HydrophobicContact CG2-CD1 3.55Å; P600-L606 HydrophobicContact CG-CB 4.26Å; K603-L606 WeakPolarHBondContact O-CB 3.37Å; K603-L606 PolarHBondContact O-N 3.23Å; D604-L606 VanDerWaalsContact C-N 3.28Å; D604-L606 PolarHBondContact O-N 3.31Å; L606-A610 WeakPolarHBondContact O-CB 3.31Å; L606-A610 PolarHBondContact O-N 3.1Å; L606-L620 HydrophobicContact CD2-CD2 4.03Å; L606-L722 HydrophobicContact CD2-CD1 4.34Å; L606-L722 HydrophobicContact CD2-CD2 4.21Å; L606-W733 HydrophobicContact CB-CH2 4.39Å; L606-W733 HydrophobicContact CD2-CZ3 4.42Å; L606-L734 HydrophobicContact CD2-CD2 4.42Å; L606-L734 HydrophobicContact CG-CD2 4.06Å
607K93.7Very high93.2Very high49 Ų4947.4 Ų47.421%0.21325%0.247CC..Hα-helixtrans-69.3-40.2176.4-175.7168.1-177.3155.30112D604 L605 A610 N611 W733 L734 G736D604-K607 WeakPolarHBondContact O-CB 3.21Å; D604-K607 PolarHBondContact O-N 3.24Å; D604-K607 VanDerWaalsContact O-N 3.08Å; L605-K607 VanDerWaalsContact C-N 3.31Å; L605-K607 PolarHBondContact O-N 2.89Å; K607-A610 PolarHBondContact O-N 2.56Å; K607-N611 WeakPolarHBondContact O-CB 3.14Å; K607-N611 VanDerWaalsContact O-CG 3.24Å; K607-N611 PolarHBondContact O-N 3.1Å; K607-N611 PolarHBondContact O-ND2 2.81Å; K607-W733 HydrophobicContact CB-CH2 3.8Å; K607-W733 HydrophobicContact CB-CZ2 3.61Å; K607-W733 HydrophobicContact CD-CZ2 4.06Å; K607-W733 WeakPolarHBondContact CE-O 3.37Å; K607-W733 HydrophobicContact CG-CZ2 4.43Å; K607-W733 PolarHBondContact NZ-O 3.22Å; K607-L734 HydrophobicContact CB-CD2 4.49Å; K607-G736 VanDerWaalsContact CE-OXT 3.29Å; K607-G736 WeakPolarHBondContact CE-OXT 3.47Å; K607-G736 PolarHBondContact NZ-OXT 2.86Å
608E93.3Very high93.1Very high107 Ų10747.4 Ų47.450%0.525%0.247SC..Hα-helixtrans-58.7-50.2172.3-71.7171.5-17600110.8D604 L605 A610 N611 E612D604-E608 WeakPolarHBondContact O-CG 3.45Å; D604-E608 PolarHBondContact O-N 3.23Å; L605-E608 PolarHBondContact O-N 3.11Å; E608-A610 VanDerWaalsContact C-N 3.34Å; E608-A610 PolarHBondContact O-N 2.95Å; E608-N611 PolarHBondContact O-N 2.96Å; E608-N611 VanDerWaalsContact O-N 3.15Å; E608-E612 WeakPolarHBondContact O-CB 3.36Å; E608-E612 WeakPolarHBondContact O-CG 3.34Å; E608-E612 PolarHBondContact O-N 2.79Å
609I94.4Very high93.1Very high2 Ų247.6 Ų47.61%0.0125%0.248CC..Hα-helixtrans-58.1-46176.8-66.8165.1000111.2L561 F563 Y582 W588 L594 L605 N611 E612 G613 F615L561-I609 HydrophobicContact CD2-CD1 3.9Å; F563-I609 HydrophobicContact CE1-CD1 3.83Å; F563-I609 HydrophobicContact CZ-CD1 3.96Å; Y582-I609 HydrophobicContact CD2-CD1 3.82Å; Y582-I609 HydrophobicContact CE2-CD1 3.69Å; Y582-I609 HydrophobicContact CE2-CG1 4.13Å; W588-I609 HydrophobicContact CD2-CG2 4.3Å; W588-I609 HydrophobicContact CE3-CG2 3.97Å; W588-I609 HydrophobicContact CH2-CB 4.4Å; W588-I609 HydrophobicContact CH2-CD1 3.98Å; W588-I609 HydrophobicContact CH2-CG1 3.74Å; W588-I609 HydrophobicContact CH2-CG2 3.83Å; W588-I609 HydrophobicContact CZ2-CB 4.41Å; W588-I609 HydrophobicContact CZ2-CD1 4.38Å; W588-I609 HydrophobicContact CZ2-CG1 3.7Å; W588-I609 HydrophobicContact CZ2-CG2 4.17Å; W588-I609 HydrophobicContact CZ3-CG1 4.48Å; W588-I609 HydrophobicContact CZ3-CG2 3.71Å; L594-I609 HydrophobicContact CD2-CG2 3.74Å; L605-I609 HydrophobicContact CD1-CD1 4.35Å; L605-I609 HydrophobicContact CG-CD1 4.02Å; L605-I609 WeakPolarHBondContact O-CD1 3.31Å; L605-I609 WeakPolarHBondContact O-CG1 3.45Å; L605-I609 PolarHBondContact O-N 2.92Å; I609-N611 VanDerWaalsContact C-N 3.27Å; I609-N611 PolarHBondContact O-N 3.37Å; I609-E612 PolarHBondContact O-N 3.36Å; I609-G613 PolarHBondContact O-N 3.45Å; I609-F615 HydrophobicContact CG2-CE2 3.95Å; I609-F615 HydrophobicContact CG2-CZ 4.37Å; I609-F615 WeakPolarHBondContact O-CE2 3.2Å
610A92.7Very high93.1Very high9 Ų947.6 Ų47.67%0.07425%0.247CC..Hα-helixtrans-63.6-31.1179.700000113.1L606 K607 E608 I618 L734L606-A610 WeakPolarHBondContact O-CB 3.31Å; L606-A610 PolarHBondContact O-N 3.1Å; K607-A610 PolarHBondContact O-N 2.56Å; E608-A610 VanDerWaalsContact C-N 3.34Å; E608-A610 PolarHBondContact O-N 2.95Å; A610-I618 HydrophobicContact CB-CD1 3.61Å; A610-L734 HydrophobicContact CB-CD2 4.06Å
611N90.9Very high93.2Very high109 Ų10947.8 Ų47.858%0.58325%0.248SC*.Hα-helixtrans-82.3-35.5177.3-73.1-26.6000113K607 E608 I609K607-N611 WeakPolarHBondContact O-CB 3.14Å; K607-N611 VanDerWaalsContact O-CG 3.24Å; K607-N611 PolarHBondContact O-N 3.1Å; K607-N611 PolarHBondContact O-ND2 2.81Å; E608-N611 PolarHBondContact O-N 2.96Å; E608-N611 VanDerWaalsContact O-N 3.15Å; I609-N611 VanDerWaalsContact C-N 3.27Å; I609-N611 PolarHBondContact O-N 3.37Å
612E90.9Very high93.4Very high128 Ų12845 Ų4560%0.59823%0.234SC*.Hα-helixtrans-75.8-34.6178.1-71.4-176.8173.200112.1W588 E608 I609W588-E612 HydrophobicContact CG-CB 4.47Å; W588-E612 PolarHBondContact NE1-OE2 3.36Å; E608-E612 WeakPolarHBondContact O-CB 3.36Å; E608-E612 WeakPolarHBondContact O-CG 3.34Å; E608-E612 PolarHBondContact O-N 2.79Å; I609-E612 PolarHBondContact O-N 3.36Å
613G86.9Confident93.5Very high5 Ų542.5 Ų42.55%0.05222%0.219CC..SBendtrans-83.9137.7172.900000111.9I609 F615I609-G613 PolarHBondContact O-N 3.45Å; G613-F615 PolarHBondContact O-N 2.84Å; G613-F615 VanDerWaalsContact O-N 3.12Å
614S86.5Confident93.4Very high110 Ų11041.6 Ų41.677%0.76922%0.217SC*.  trans-86.652.3170.7-59.80000110.8
615F93.3Very high92.7Very high12 Ų1239.4 Ų39.45%0.05321%0.207CC..  trans-71.7136.4-175.2-56.7-69000111.7L538 W588 D592 L594 I609 G613 I618L538-F615 HydrophobicContact CD1-CB 4.31Å; L538-F615 WeakPolarHBondContact CD1-O 3.38Å; W588-F615 HydrophobicContact CB-CZ 4.26Å; W588-F615 AromaticContact CE3-CZ 3.96Å; W588-F615 HydrophobicContact CE3-CZ 3.96Å; D592-F615 CarbonylContact O-C 2.97Å; D592-F615 VanDerWaalsContact O-CA 3.26Å; D592-F615 WeakPolarHBondContact O-CA 3.3Å; L594-F615 HydrophobicContact CB-CD1 3.86Å; L594-F615 HydrophobicContact CB-CD2 4.25Å; L594-F615 HydrophobicContact CB-CE1 3.81Å; L594-F615 HydrophobicContact CB-CE2 4.2Å; L594-F615 HydrophobicContact CB-CG 4.08Å; L594-F615 HydrophobicContact CB-CZ 3.99Å; L594-F615 HydrophobicContact CD1-CZ 4.49Å; L594-F615 HydrophobicContact CD2-CD2 4.3Å; L594-F615 HydrophobicContact CD2-CE2 3.88Å; L594-F615 HydrophobicContact CD2-CZ 4.16Å; L594-F615 HydrophobicContact CG-CZ 4.45Å; I609-F615 HydrophobicContact CG2-CE2 3.95Å; I609-F615 HydrophobicContact CG2-CZ 4.37Å; I609-F615 WeakPolarHBondContact O-CE2 3.2Å; G613-F615 PolarHBondContact O-N 2.84Å; G613-F615 VanDerWaalsContact O-N 3.12Å; F615-I618 HydrophobicContact CB-CG1 4.25Å; F615-I618 HydrophobicContact CD2-CD1 4.42Å; F615-I618 HydrophobicContact CD2-CG1 4.46Å
616T91.6Very high92.1Very high74 Ų7440.2 Ų40.245%0.45421%0.212SC..SBendtrans-80.5-35.2169.5590000111.1Q539 D592Q539-T616 PolarHBondContact N-O 3.07Å; D592-T616 PolarHBondContact O-N 3.05Å; D592-T616 PolarHBondContact O-OG1 3.38Å
617R93.4Very high91.5Very high56 Ų5644.4 Ų44.421%0.21123%0.232CC..EExtended strand (participates in β ladder)trans-136.4137.4179.2-59.1-170.3164172.1-7.2113.3E503 Q539 Q593 L594 Y619E503-R617 IonicContact OE1-CZ 3.71Å; E503-R617 IonicContact OE1-NH1 2.59Å; E503-R617 IonicContact OE1-NH2 2.78Å; E503-R617 PolarHBondContact OE1-NH2 3.31Å; Q539-R617 HydrophobicContact CB-CG 4.22Å; Q539-R617 CarbonylContact O-C 3.53Å; Q539-R617 VanDerWaalsContact O-CA 3.29Å; Q539-R617 WeakPolarHBondContact O-CA 3.5Å; Q593-R617 WeakPolarHBondContact CA-O 3.38Å; Q593-R617 HydrophobicContact CG-CB 4.1Å; L594-R617 PolarHBondContact N-O 2.87Å; R617-Y619 HydrophobicContact CB-CE2 3.82Å; R617-Y619 WeakPolarHBondContact CD-OH 3.23Å
618I95.5Very high91.2Very high0 Ų042.1 Ų42.10%022%0.221CC..EExtended strand (participates in β ladder)trans-120.1120.2169-65.5172.9000109.7L538 Q539 V540 I541 L594 V596 A610 F615 L620L538-I618 HydrophobicContact CD1-CB 4.3Å; L538-I618 HydrophobicContact CD1-CD1 3.77Å; L538-I618 HydrophobicContact CD1-CG1 3.68Å; L538-I618 HydrophobicContact CD2-CD1 3.87Å; L538-I618 HydrophobicContact CG-CD1 4.42Å; Q539-I618 PolarHBondContact O-N 2.84Å; V540-I618 CarbonylContact C-O 3.49Å; V540-I618 WeakPolarHBondContact CA-O 3.35Å; V540-I618 HydrophobicContact CG2-CB 4.46Å; I541-I618 PolarHBondContact N-O 2.75Å; L594-I618 HydrophobicContact CB-CG1 4.14Å; L594-I618 HydrophobicContact CD2-CD1 4.4Å; L594-I618 HydrophobicContact CD2-CG1 4.23Å; L594-I618 HydrophobicContact CD2-CG2 4.46Å; L594-I618 CarbonylContact O-C 3.53Å; L594-I618 VanDerWaalsContact O-CA 3.27Å; L594-I618 WeakPolarHBondContact O-CA 3.41Å; V596-I618 HydrophobicContact CG2-CG2 3.84Å; A610-I618 HydrophobicContact CB-CD1 3.61Å; F615-I618 HydrophobicContact CB-CG1 4.25Å; F615-I618 HydrophobicContact CD2-CD1 4.42Å; F615-I618 HydrophobicContact CD2-CG1 4.46Å; I618-L620 HydrophobicContact CG2-CD2 3.65Å; I618-L620 HydrophobicContact CG2-CG 4.32Å
619Y96Very high91Very high6 Ų640.8 Ų40.82%0.02421%0.212CC..EExtended strand (participates in β ladder)trans-99124.2175.2-57.4-97.5000110.3I541 R543 I553 Q593 L594 V595 V596 R617I541-Y619 HydrophobicContact CB-CD1 3.59Å; I541-Y619 HydrophobicContact CB-CE1 3.97Å; I541-Y619 HydrophobicContact CB-CG 4.25Å; I541-Y619 HydrophobicContact CG1-CD1 3.98Å; I541-Y619 HydrophobicContact CG1-CE1 3.85Å; I541-Y619 HydrophobicContact CG2-CD1 3.66Å; I541-Y619 HydrophobicContact CG2-CE1 3.96Å; R543-Y619 HydrophobicContact CG-CD1 4.17Å; I553-Y619 HydrophobicContact CD1-CD1 4.06Å; I553-Y619 HydrophobicContact CD1-CD2 4.1Å; I553-Y619 HydrophobicContact CD1-CE1 4.31Å; I553-Y619 HydrophobicContact CD1-CE2 4.35Å; I553-Y619 HydrophobicContact CD1-CG 3.96Å; I553-Y619 HydrophobicContact CG1-CD1 4.24Å; I553-Y619 HydrophobicContact CG1-CE1 4.04Å; I553-Y619 HydrophobicContact CG2-CD2 4.34Å; I553-Y619 HydrophobicContact CG2-CE1 4.29Å; I553-Y619 HydrophobicContact CG2-CE2 3.61Å; Q593-Y619 HydrophobicContact CB-CE2 4.49Å; Q593-Y619 VanDerWaalsContact OE1-CE2 3.29Å; Q593-Y619 PolarHBondContact OE1-OH 3.45Å; L594-Y619 PolarHBondContact O-N 2.84Å; V595-Y619 HydrophobicContact CG2-CD2 3.91Å; V595-Y619 HydrophobicContact CG2-CG 4.34Å; V596-Y619 PolarHBondContact N-O 2.88Å; R617-Y619 HydrophobicContact CB-CE2 3.82Å; R617-Y619 WeakPolarHBondContact CD-OH 3.23Å
620L96.9Very high90.6Very high0 Ų046.6 Ų46.60%024%0.243CC..EExtended strand (participates in β ladder)trans-103.597-174.5-62.6-175.8000111.3V540 I541 R543 R544 V596 L606 I618 L622 I727 I730 L734V540-L620 HydrophobicContact CG1-CD1 3.51Å; V540-L620 HydrophobicContact CG1-CG 3.87Å; I541-L620 PolarHBondContact O-N 3.32Å; R543-L620 CarbonylContact C-O 3.53Å; R543-L620 VanDerWaalsContact CA-O 3.23Å; R543-L620 WeakPolarHBondContact CA-O 3.39Å; R543-L620 WeakPolarHBondContact CB-O 3.41Å; R543-L620 PolarHBondContact N-O 2.88Å; R544-L620 WeakPolarHBondContact CG-O 3.48Å; R544-L620 PolarHBondContact N-O 2.95Å; V596-L620 HydrophobicContact CB-CD2 4.05Å; V596-L620 HydrophobicContact CG2-CD2 3.92Å; L606-L620 HydrophobicContact CD2-CD2 4.03Å; I618-L620 HydrophobicContact CG2-CD2 3.65Å; I618-L620 HydrophobicContact CG2-CG 4.32Å; L620-L622 HydrophobicContact CB-CD1 3.86Å; L620-L622 HydrophobicContact CB-CG 4.04Å; L620-L622 HydrophobicContact CD1-CD1 4.27Å; L620-L622 HydrophobicContact CD2-CD2 4.49Å; L620-L622 HydrophobicContact CD2-CG 4.49Å; L620-L622 HydrophobicContact CG-CD1 4.45Å; L620-I727 HydrophobicContact CD1-CD1 4.09Å; L620-I730 HydrophobicContact CD1-CG2 3.68Å; L620-L734 HydrophobicContact CD1-CD1 4.44Å
621Y97.1Very high90.3Very high5 Ų548.2 Ų48.22%0.0225%0.25CS..EExtended strand (participates in β ladder)trans-85.8-42.2171.5-74.6-131.7000110.4R543 W549 F571 L575 V595 V596 L597 Y623R543-Y621 HydrophobicContact CB-CD2 3.37Å; R543-Y621 HydrophobicContact CB-CE2 3.44Å; R543-Y621 VanDerWaalsContact CB-CE2 3.44Å; R543-Y621 HydrophobicContact CB-CG 4.04Å; R543-Y621 HydrophobicContact CG-CD2 4.04Å; R543-Y621 HydrophobicContact CG-CE2 3.67Å; W549-Y621 HydrophobicContact CB-CD1 4.28Å; W549-Y621 HydrophobicContact CB-CE1 3.58Å; W549-Y621 AromaticContact CD1-CD1 3.28Å; W549-Y621 AromaticContact CD1-CE1 3.33Å; W549-Y621 AromaticContact CD2-CD1 3.85Å; W549-Y621 HydrophobicContact CD2-CD1 3.85Å; W549-Y621 HydrophobicContact CD2-CE1 4.06Å; W549-Y621 AromaticContact CE2-CD1 3.77Å; W549-Y621 AromaticContact CG-CD1 3.57Å; W549-Y621 HydrophobicContact CG-CD1 3.57Å; W549-Y621 AromaticContact CG-CE1 3.37Å; W549-Y621 HydrophobicContact CG-CE1 3.37Å; W549-Y621 AromaticContact NE1-CD1 3.39Å; W549-Y621 AromaticContact NE1-CE1 3.96Å; W549-Y621 AromaticContact NE1-CG 3.92Å; W549-Y621 PolarHBondContact O-OH 2.86Å; F571-Y621 AromaticContact CE1-CD1 3.92Å; F571-Y621 HydrophobicContact CE1-CD1 3.92Å; F571-Y621 HydrophobicContact CE1-CE1 4.45Å; F571-Y621 HydrophobicContact CZ-CD1 4.31Å; L575-Y621 HydrophobicContact CD2-CE1 4.47Å; V595-Y621 HydrophobicContact CG1-CD2 3.7Å; V595-Y621 HydrophobicContact CG1-CE2 3.57Å; V596-Y621 WeakPolarHBondContact O-CB 3.3Å; V596-Y621 PolarHBondContact O-N 3.46Å; L597-Y621 HydrophobicContact CD2-CD1 4.23Å; L597-Y621 HydrophobicContact CD2-CG 4.38Å; L597-Y621 WeakPolarHBondContact O-CB 3.49Å; Y621-Y623 PolarHBondContact O-N 3.27Å
622L96.2Very high90.2Very high2 Ų244 Ų441%0.0123%0.233CC..EExtended strand (participates in β ladder)trans5133.8172.7-59.5168.1000114R544 V596 L597 L620 S624 L722 L723R544-L622 HydrophobicContact CG-CB 4.31Å; R544-L622 HydrophobicContact CG-CD1 3.95Å; V596-L622 HydrophobicContact CG1-CD2 3.91Å; V596-L622 PolarHBondContact O-N 2.85Å; V596-L622 VanDerWaalsContact O-N 3.1Å; L597-L622 PolarHBondContact O-N 3.48Å; L620-L622 HydrophobicContact CB-CD1 3.86Å; L620-L622 HydrophobicContact CB-CG 4.04Å; L620-L622 HydrophobicContact CD1-CD1 4.27Å; L620-L622 HydrophobicContact CD2-CD2 4.49Å; L620-L622 HydrophobicContact CD2-CG 4.49Å; L620-L622 HydrophobicContact CG-CD1 4.45Å; L622-S624 PolarHBondContact O-N 2.82Å; L622-L722 HydrophobicContact CD1-CB 3.85Å; L622-L722 WeakPolarHBondContact CD1-O 3.3Å; L622-L722 HydrophobicContact CD2-CB 4.34Å; L622-L722 HydrophobicContact CD2-CD1 4.05Å; L622-L723 HydrophobicContact CB-CD2 3.6Å; L622-L723 HydrophobicContact CD1-CD2 4.45Å; L622-L723 VanDerWaalsContact O-CD2 3.32Å; L622-L723 WeakPolarHBondContact O-CD2 3.44Å
623Y94.9Very high90.2Very high70 Ų7041 Ų4128%0.27522%0.221SC..EExtended strand (participates in β ladder)trans-52.1128.3177.5179.3-118.1000111.7W549 Y570 F571 L597 D598 C599 Y621 P625W549-Y623 AromaticContact CH2-CD2 3.7Å; W549-Y623 HydrophobicContact CH2-CD2 3.7Å; W549-Y623 HydrophobicContact CH2-CE2 4.27Å; W549-Y623 HydrophobicContact CH2-CG 4.31Å; W549-Y623 HydrophobicContact CZ2-CD2 4.31Å; Y570-Y623 HydrophobicContact CD1-CD1 4.4Å; Y570-Y623 HydrophobicContact CD1-CE1 4.07Å; Y570-Y623 HydrophobicContact CE1-CE1 4.38Å; F571-Y623 AromaticContact CE2-CD1 3.83Å; F571-Y623 HydrophobicContact CE2-CD1 3.83Å; F571-Y623 AromaticContact CE2-CG 3.99Å; F571-Y623 HydrophobicContact CE2-CG 3.99Å; F571-Y623 HydrophobicContact CZ-CD1 4.28Å; F571-Y623 HydrophobicContact CZ-CG 4.02Å; L597-Y623 WeakPolarHBondContact O-CB 3.34Å; L597-Y623 PolarHBondContact O-N 3.02Å; D598-Y623 WeakPolarHBondContact CA-O 3.49Å; D598-Y623 WeakPolarHBondContact CB-O 3.43Å; C599-Y623 PolarHBondContact N-O 3.49Å; C599-Y623 VanDerWaalsContact N-O 3.11Å; Y621-Y623 PolarHBondContact O-N 3.27Å; Y623-P625 HydrophobicContact CD1-CG 4.39Å; Y623-P625 HydrophobicContact CE1-CB 3.9Å; Y623-P625 HydrophobicContact CE1-CG 3.85Å
624S91.7Very high90.3Very high15 Ų1541 Ų4111%0.10522%0.22CC..  trans-129.3101.2171.4-173.10000111.4L622 E627 R715 E719L622-S624 PolarHBondContact O-N 2.82Å; S624-E627 WeakPolarHBondContact O-CG 3.46Å; S624-R715 PolarHBondContact OG-NH2 2.91Å; S624-R715 VanDerWaalsContact OG-NH2 3.1Å; S624-E719 VanDerWaalsContact OG-CD 3.29Å; S624-E719 PolarHBondContact OG-OE1 3.03Å
625P82.2Confident90.5Very high36 Ų3642.6 Ų42.623%0.23421%0.213CC..SBendtrans-73.9-27.6179.827.2-32.7000113.2Y623 E627 K670Y623-P625 HydrophobicContact CD1-CG 4.39Å; Y623-P625 HydrophobicContact CE1-CB 3.9Å; Y623-P625 HydrophobicContact CE1-CG 3.85Å; P625-E627 VanDerWaalsContact C-N 3.32Å; P625-K670 PolarHBondContact O-NZ 3.01Å
626D80.1Confident90.4Very high50 Ų5051.4 Ų51.427%0.26725%0.246SC..SBendtrans-79.1-20.2-178.6-61.5-40.6000111.9A628 N631 R715D626-A628 PolarHBondContact O-N 3.44Å; D626-N631 PolarHBondContact O-ND2 2.93Å; D626-R715 IonicContact OD2-CZ 3.18Å; D626-R715 VanDerWaalsContact OD2-CZ 3.25Å; D626-R715 IonicContact OD2-NH1 3.96Å; D626-R715 PolarHBondContact OD2-NH1 3.35Å; D626-R715 IonicContact OD2-NH2 2.67Å; D626-R715 PolarHBondContact OD2-NH2 3.13Å
627E84.1Confident90.5Very high88 Ų8851.3 Ų51.341%0.41124%0.242SC..  trans4452.3-179.1-56.6162.2142.100110.1S624 P625 Y629 L630 N631 K670 E719S624-E627 WeakPolarHBondContact O-CG 3.46Å; P625-E627 VanDerWaalsContact C-N 3.32Å; E627-Y629 PolarHBondContact O-N 3.4Å; E627-L630 HydrophobicContact CB-CB 4.25Å; E627-L630 HydrophobicContact CB-CD1 4.24Å; E627-L630 PolarHBondContact O-N 3.25Å; E627-N631 WeakPolarHBondContact O-CB 3.39Å; E627-N631 PolarHBondContact O-N 2.89Å; E627-N631 PolarHBondContact O-ND2 2.91Å; E627-K670 IonicContact OE2-NZ 3.7Å; E627-K670 PolarHBondContact OE2-NZ 2.85Å; E627-E719 VanDerWaalsContact C-OE2 3.26Å
628A86.8Confident90.5Very high0 Ų050.1 Ų50.10%024%0.239CC..Hα-helixtrans-57-39.1-173.700000111.9D626 N631 G632 R712 R715 I716 E719D626-A628 PolarHBondContact O-N 3.44Å; A628-N631 PolarHBondContact O-N 3.38Å; A628-G632 WeakPolarHBondContact O-CA 3.23Å; A628-G632 PolarHBondContact O-N 3.21Å; A628-R712 HydrophobicContact CB-CG 4.46Å; A628-R715 HydrophobicContact CB-CG 4.05Å; A628-I716 HydrophobicContact CB-CG1 3.89Å; A628-I716 WeakPolarHBondContact O-CG1 3.27Å; A628-E719 WeakPolarHBondContact CA-OE2 3.49Å; A628-E719 PolarHBondContact N-OE1 3.18Å; A628-E719 PolarHBondContact N-OE2 3.11Å
629Y88.3Confident90.4Very high79 Ų7950.5 Ų50.531%0.3124%0.241SC..Hα-helixtrans-57.4-52.6175.5175-106.7000111.8E627 N631 G632 I716 E719 E720 M724E627-Y629 PolarHBondContact O-N 3.4Å; Y629-N631 VanDerWaalsContact C-N 3.35Å; Y629-N631 PolarHBondContact O-N 3.33Å; Y629-G632 PolarHBondContact O-N 3.29Å; Y629-I716 HydrophobicContact CD2-CG2 4.18Å; Y629-E719 PolarHBondContact N-OE2 2.98Å; Y629-E720 HydrophobicContact CD2-CB 3.6Å; Y629-E720 HydrophobicContact CD2-CG 4.1Å; Y629-E720 HydrophobicContact CE2-CB 3.64Å; Y629-E720 HydrophobicContact CE2-CG 3.57Å; Y629-E720 HydrophobicContact CG-CB 4.43Å; Y629-M724 HydrophobicContact CD1-CG 4.08Å; Y629-M724 HydrophobicContact CD1-SD 4.15Å; Y629-M724 HydrophobicContact CE1-CE 4.18Å; Y629-M724 HydrophobicContact CE1-CG 3.74Å; Y629-M724 HydrophobicContact CE1-SD 3.92Å
630L87.1Confident90.3Very high124 Ų12452.5 Ų52.565%0.64926%0.259SS*.Hα-helixtrans-65.9-36.6179.3-64.7178.6000112.6E627 G632E627-L630 HydrophobicContact CB-CB 4.25Å; E627-L630 HydrophobicContact CB-CD1 4.24Å; E627-L630 PolarHBondContact O-N 3.25Å; L630-G632 VanDerWaalsContact C-N 3.34Å
631N86.5Confident90.1Very high43 Ų4357.1 Ų57.123%0.2328%0.279CS..Hα-helixtrans-79.1-18.7179.2-74.6-67.7000113.2D626 E627 A628 Y629D626-N631 PolarHBondContact O-ND2 2.93Å; E627-N631 WeakPolarHBondContact O-CB 3.39Å; E627-N631 PolarHBondContact O-N 2.89Å; E627-N631 PolarHBondContact O-ND2 2.91Å; A628-N631 PolarHBondContact O-N 3.38Å; Y629-N631 VanDerWaalsContact C-N 3.35Å; Y629-N631 PolarHBondContact O-N 3.33Å
632G88.7Confident89.9Confident22 Ų2256.9 Ų56.923%0.22728%0.278CS..  trans60.6-163.7-179.800000115.1A628 Y629 L630 R712A628-G632 WeakPolarHBondContact O-CA 3.23Å; A628-G632 PolarHBondContact O-N 3.21Å; Y629-G632 PolarHBondContact O-N 3.29Å; L630-G632 VanDerWaalsContact C-N 3.34Å; G632-R712 PolarHBondContact O-NE 2.9Å; G632-R712 PolarHBondContact O-NH2 2.83Å
633L90.6Very high89.7Confident64 Ų6460.2 Ų60.234%0.33529%0.291SS..PPolyproline II helixtrans-98.4145.3173.2-67169000111K635 Y709 R712 I713 I716L633-K635 PolarHBondContact O-N 2.87Å; L633-Y709 HydrophobicContact CD2-CE2 4.06Å; L633-R712 HydrophobicContact CD2-CB 4.4Å; L633-R712 HydrophobicContact CD2-CG 4.12Å; L633-I713 HydrophobicContact CD1-CG1 3.87Å; L633-I713 HydrophobicContact CD2-CG1 4.03Å; L633-I716 HydrophobicContact CD1-CD1 4.48Å; L633-I716 HydrophobicContact CD2-CD1 3.73Å; L633-I716 HydrophobicContact CG-CD1 3.62Å
634P90.1Very high89.6Confident5 Ų562.3 Ų62.33%0.03230%0.303CS..PPolyproline II helixtrans-62.5136.4168.6-14.426.7000111Q638 F639 L671 F674 M675P634-Q638 VanDerWaalsContact CA-OE1 3.31Å; P634-F639 HydrophobicContact CB-CD2 4.13Å; P634-F639 HydrophobicContact CB-CE2 3.72Å; P634-F639 HydrophobicContact CB-CZ 4Å; P634-F639 HydrophobicContact CG-CE2 4.07Å; P634-F639 HydrophobicContact CG-CZ 3.93Å; P634-L671 HydrophobicContact CB-CD1 4.49Å; P634-L671 HydrophobicContact CB-CG 4.49Å; P634-L671 HydrophobicContact CG-CD1 3.66Å; P634-L671 HydrophobicContact CG-CG 4.02Å; P634-F674 HydrophobicContact CG-CD1 3.62Å; P634-F674 HydrophobicContact CG-CE1 3.6Å; P634-M675 HydrophobicContact CB-CE 4.25Å; P634-M675 HydrophobicContact CB-CG 3.63Å; P634-M675 HydrophobicContact CB-SD 3.76Å; P634-M675 HydrophobicContact CG-CG 3.33Å; P634-M675 HydrophobicContact CG-SD 4.03Å
635K90.3Very high89.6Confident144 Ų14462.3 Ų62.363%0.62630%0.301SS*.PPolyproline II helixtrans-74.2153.4171.8-62.4-178.3-177.9-178.70110.4L633 D637 Q638 F639L633-K635 PolarHBondContact O-N 2.87Å; K635-D637 WeakPolarHBondContact CB-OD1 3.5Å; K635-D637 PolarHBondContact O-N 2.75Å; K635-D637 VanDerWaalsContact O-N 3.14Å; K635-Q638 HydrophobicContact CB-CG 4.34Å; K635-Q638 WeakPolarHBondContact O-CA 3.22Å; K635-Q638 WeakPolarHBondContact O-CB 3.33Å; K635-Q638 PolarHBondContact O-N 3.12Å; K635-F639 PolarHBondContact O-N 2.96Å
636R91Very high89.9Confident197 Ų19760.7 Ų60.774%0.74329%0.29SS*.Hα-helixtrans-54.1-35.3176.7-173.7170.7-178.4169.52.4113.2Q638 F639 A640 F703R636-Q638 VanDerWaalsContact C-N 3.34Å; R636-F639 PolarHBondContact O-N 2.84Å; R636-A640 PolarHBondContact O-N 2.99Å; R636-F703 HydrophobicContact CB-CE1 4.35Å; R636-F703 HydrophobicContact CB-CZ 4.39Å; R636-F703 HydrophobicContact CG-CE1 4.08Å
637D93Very high90.4Very high71 Ų7166.5 Ų66.538%0.3831%0.309SS..Hα-helixtrans-69.3-31.1176.776-71.3000112.8K635 A640 K641K635-D637 WeakPolarHBondContact CB-OD1 3.5Å; K635-D637 PolarHBondContact O-N 2.75Å; K635-D637 VanDerWaalsContact O-N 3.14Å; D637-A640 PolarHBondContact O-N 2.8Å; D637-K641 WeakPolarHBondContact O-CB 3.35Å; D637-K641 VanDerWaalsContact O-CG 3.25Å; D637-K641 WeakPolarHBondContact O-CG 3.38Å; D637-K641 PolarHBondContact O-N 3.12Å; D637-K641 IonicContact OD2-NZ 3.08Å; D637-K641 PolarHBondContact OD2-NZ 3.36Å
638Q93.9Very high90.7Very high31 Ų3169.5 Ų69.515%0.14532%0.321CS..Hα-helixtrans-68-44.5175.2-67.6175.8-56.100110.5P634 K635 R636 A640 K641 L642 I667 M675P634-Q638 VanDerWaalsContact CA-OE1 3.31Å; K635-Q638 HydrophobicContact CB-CG 4.34Å; K635-Q638 WeakPolarHBondContact O-CA 3.22Å; K635-Q638 WeakPolarHBondContact O-CB 3.33Å; K635-Q638 PolarHBondContact O-N 3.12Å; R636-Q638 VanDerWaalsContact C-N 3.34Å; Q638-A640 VanDerWaalsContact C-N 3.32Å; Q638-A640 PolarHBondContact O-N 3.48Å; Q638-K641 PolarHBondContact O-N 3.43Å; Q638-L642 WeakPolarHBondContact O-CB 3.45Å; Q638-L642 PolarHBondContact O-N 3.5Å; Q638-I667 HydrophobicContact CB-CD1 3.86Å; Q638-I667 HydrophobicContact CB-CG1 4.48Å; Q638-I667 HydrophobicContact CG-CD1 4.17Å; Q638-I667 HydrophobicContact CG-CG1 4.26Å; Q638-M675 HydrophobicContact CB-CE 3.74Å; Q638-M675 HydrophobicContact CB-SD 4.31Å; Q638-M675 VanDerWaalsContact O-CE 3.3Å; Q638-M675 WeakPolarHBondContact O-CE 3.26Å
639F93.8Very high90.8Very high9 Ų974.4 Ų74.44%0.03934%0.343CS..Hα-helixtrans-59.8-43.1173-79.5-60.8000111.6P634 K635 R636 K641 L642 Y643 M675 V678 F679 F703 Y709P634-F639 HydrophobicContact CB-CD2 4.13Å; P634-F639 HydrophobicContact CB-CE2 3.72Å; P634-F639 HydrophobicContact CB-CZ 4Å; P634-F639 HydrophobicContact CG-CE2 4.07Å; P634-F639 HydrophobicContact CG-CZ 3.93Å; K635-F639 PolarHBondContact O-N 2.96Å; R636-F639 PolarHBondContact O-N 2.84Å; F639-K641 PolarHBondContact O-N 2.86Å; F639-L642 PolarHBondContact O-N 2.68Å; F639-Y643 WeakPolarHBondContact O-CB 3.46Å; F639-Y643 PolarHBondContact O-N 3.25Å; F639-M675 HydrophobicContact CD1-CB 4.31Å; F639-M675 HydrophobicContact CD1-CE 3.79Å; F639-M675 HydrophobicContact CD1-CG 4.23Å; F639-M675 HydrophobicContact CE1-CB 3.85Å; F639-M675 HydrophobicContact CE1-CE 4.29Å; F639-M675 HydrophobicContact CE1-CG 3.77Å; F639-M675 HydrophobicContact CG-CE 4.14Å; F639-M675 HydrophobicContact CZ-CG 4.19Å; F639-V678 HydrophobicContact CE1-CB 4.23Å; F639-V678 HydrophobicContact CE1-CG1 3.98Å; F639-V678 HydrophobicContact CZ-CB 4.45Å; F639-V678 HydrophobicContact CZ-CG1 4.07Å; F639-F679 HydrophobicContact CB-CE1 4.37Å; F639-F679 HydrophobicContact CB-CZ 4.45Å; F639-F679 HydrophobicContact CD1-CD1 4.06Å; F639-F679 AromaticContact CD1-CE1 3.35Å; F639-F679 HydrophobicContact CD1-CE1 3.35Å; F639-F679 HydrophobicContact CD1-CZ 4.01Å; F639-F679 HydrophobicContact CE1-CD1 4.24Å; F639-F679 AromaticContact CE1-CE1 3.97Å; F639-F679 HydrophobicContact CE1-CE1 3.97Å; F639-F679 HydrophobicContact CG-CE1 4.25Å; F639-F679 WeakPolarHBondContact O-CZ 3.07Å; F639-F703 HydrophobicContact CD2-CB 4.31Å; F639-F703 AromaticContact CD2-CD1 3.84Å; F639-F703 HydrophobicContact CD2-CD1 3.84Å; F639-F703 HydrophobicContact CD2-CD2 4.27Å; F639-F703 HydrophobicContact CD2-CE1 4.25Å; F639-F703 AromaticContact CD2-CG 3.86Å; F639-F703 HydrophobicContact CD2-CG 3.86Å; F639-F703 HydrophobicContact CE2-CB 3.97Å; F639-F703 HydrophobicContact CE2-CD1 4.18Å; F639-F703 AromaticContact CE2-CD2 3.85Å; F639-F703 HydrophobicContact CE2-CD2 3.85Å; F639-F703 HydrophobicContact CE2-CE2 4.43Å; F639-F703 AromaticContact CE2-CG 3.71Å; F639-F703 HydrophobicContact CE2-CG 3.71Å; F639-F703 HydrophobicContact CG-CD1 4.43Å; F639-F703 HydrophobicContact CZ-CB 4.12Å; F639-F703 HydrophobicContact CZ-CG 4.36Å; F639-Y709 HydrophobicContact CE2-CD2 4.32Å; F639-Y709 AromaticContact CE2-CE2 3.97Å; F639-Y709 HydrophobicContact CE2-CE2 3.97Å; F639-Y709 HydrophobicContact CZ-CD2 4.19Å; F639-Y709 HydrophobicContact CZ-CE2 4.27Å
640A92.5Very high90.7Very high48 Ų4874.1 Ų74.140%0.39735%0.351SS..Hα-helixtrans-60.8-43.5176.200000112.4R636 D637 Q638 Y643 Q644R636-A640 PolarHBondContact O-N 2.99Å; D637-A640 PolarHBondContact O-N 2.8Å; Q638-A640 VanDerWaalsContact C-N 3.32Å; Q638-A640 PolarHBondContact O-N 3.48Å; A640-Y643 PolarHBondContact O-N 3.15Å; A640-Q644 WeakPolarHBondContact O-CB 3.22Å; A640-Q644 VanDerWaalsContact O-CG 3.31Å; A640-Q644 WeakPolarHBondContact O-CG 3.36Å; A640-Q644 PolarHBondContact O-N 2.97Å
641K93.5Very high90.9Very high97 Ų9776.7 Ų76.742%0.42235%0.352SS..Hα-helixtrans-63.1-42.9176.1-74.9165.5-178.9159.20112.1D637 Q638 F639 Q644 F645 L665D637-K641 WeakPolarHBondContact O-CB 3.35Å; D637-K641 VanDerWaalsContact O-CG 3.25Å; D637-K641 WeakPolarHBondContact O-CG 3.38Å; D637-K641 PolarHBondContact O-N 3.12Å; D637-K641 IonicContact OD2-NZ 3.08Å; D637-K641 PolarHBondContact OD2-NZ 3.36Å; Q638-K641 PolarHBondContact O-N 3.43Å; F639-K641 PolarHBondContact O-N 2.86Å; K641-Q644 PolarHBondContact O-N 2.87Å; K641-F645 WeakPolarHBondContact O-CB 3.28Å; K641-F645 PolarHBondContact O-N 2.76Å; K641-L665 HydrophobicContact CB-CD2 4.26Å
642L93.2Very high91.1Very high0 Ų075 Ų750%034%0.344CS..Hα-helixtrans-63.5-44.5177.3-176.761.2000111.4Q638 F639 Q644 F645 F646 L665 L672 M675 I676 F679Q638-L642 WeakPolarHBondContact O-CB 3.45Å; Q638-L642 PolarHBondContact O-N 3.5Å; F639-L642 PolarHBondContact O-N 2.68Å; L642-Q644 PolarHBondContact O-N 3.37Å; L642-F645 WeakPolarHBondContact O-CB 3.48Å; L642-F645 PolarHBondContact O-N 2.76Å; L642-F646 HydrophobicContact CD1-CD2 4.05Å; L642-F646 HydrophobicContact CD1-CE2 3.36Å; L642-F646 HydrophobicContact CD1-CZ 3.67Å; L642-F646 HydrophobicContact CD2-CE2 4.09Å; L642-F646 HydrophobicContact CG-CD2 4.01Å; L642-F646 HydrophobicContact CG-CE2 3.55Å; L642-F646 HydrophobicContact CG-CZ 4.36Å; L642-F646 WeakPolarHBondContact O-CD2 3.49Å; L642-F646 PolarHBondContact O-N 3.46Å; L642-L665 HydrophobicContact CB-CD1 4.33Å; L642-L665 HydrophobicContact CD1-CD1 3.6Å; L642-L672 HydrophobicContact CD1-CD1 3.6Å; L642-L672 HydrophobicContact CD2-CD1 4.2Å; L642-M675 HydrophobicContact CB-CE 3.92Å; L642-M675 HydrophobicContact CD2-CB 3.6Å; L642-M675 HydrophobicContact CD2-CE 3.86Å; L642-I676 HydrophobicContact CD2-CG1 4.27Å; L642-F679 HydrophobicContact CB-CE2 4.15Å; L642-F679 HydrophobicContact CB-CZ 4.36Å; L642-F679 HydrophobicContact CD2-CD2 4.05Å; L642-F679 HydrophobicContact CD2-CE2 3.93Å; L642-F679 HydrophobicContact CD2-CZ 4.31Å; L642-F679 HydrophobicContact CG-CD2 4.23Å; L642-F679 HydrophobicContact CG-CE2 3.81Å; L642-F679 HydrophobicContact CG-CZ 4.4Å
643Y91.8Very high91.2Very high71 Ų7176 Ų7628%0.27834%0.343SS..Hα-helixtrans-62-43.8176.4-174-101.9000112.1F639 A640 F645 F646 R647 F679 F684 M694 P698F639-Y643 WeakPolarHBondContact O-CB 3.46Å; F639-Y643 PolarHBondContact O-N 3.25Å; A640-Y643 PolarHBondContact O-N 3.15Å; Y643-F645 VanDerWaalsContact C-N 3.3Å; Y643-F645 PolarHBondContact O-N 2.91Å; Y643-F646 PolarHBondContact O-N 3.21Å; Y643-R647 HydrophobicContact CD1-CG 4.49Å; Y643-R647 HydrophobicContact CE1-CG 4.16Å; Y643-R647 PolarHBondContact O-N 3.28Å; Y643-F679 HydrophobicContact CD2-CE2 4.24Å; Y643-F684 HydrophobicContact CD2-CD1 4.2Å; Y643-F684 AromaticContact CE2-CD1 3.74Å; Y643-F684 HydrophobicContact CE2-CD1 3.74Å; Y643-F684 HydrophobicContact CE2-CE1 4.28Å; Y643-M694 HydrophobicContact CD2-CE 4.24Å; Y643-M694 HydrophobicContact CE1-CE 4.36Å; Y643-M694 HydrophobicContact CE2-CE 3.45Å; Y643-M694 VanDerWaalsContact CE2-CE 3.45Å; Y643-M694 WeakPolarHBondContact OH-CE 3.45Å; Y643-P698 HydrophobicContact CE2-CG 4.42Å
644Q91.7Very high91Very high114 Ų11474.1 Ų74.153%0.53333%0.334SS..Hα-helixtrans-63-36.2174.6-74.1178.87.500112.8A640 K641 L642 R647 K648A640-Q644 WeakPolarHBondContact O-CB 3.22Å; A640-Q644 VanDerWaalsContact O-CG 3.31Å; A640-Q644 WeakPolarHBondContact O-CG 3.36Å; A640-Q644 PolarHBondContact O-N 2.97Å; K641-Q644 PolarHBondContact O-N 2.87Å; L642-Q644 PolarHBondContact O-N 3.37Å; Q644-R647 PolarHBondContact O-N 2.77Å; Q644-K648 WeakPolarHBondContact O-CG 3.49Å; Q644-K648 PolarHBondContact O-N 2.66Å
645F92.5Very high90.8Very high16 Ų1679.9 Ų79.97%0.0736%0.355CS..Hα-helixtrans-62.9-49.9175.7171.5-96.1000111.2K641 L642 Y643 R647 K648 Q649 V652 V661 Y664 L665K641-F645 WeakPolarHBondContact O-CB 3.28Å; K641-F645 PolarHBondContact O-N 2.76Å; L642-F645 WeakPolarHBondContact O-CB 3.48Å; L642-F645 PolarHBondContact O-N 2.76Å; Y643-F645 VanDerWaalsContact C-N 3.3Å; Y643-F645 PolarHBondContact O-N 2.91Å; F645-R647 VanDerWaalsContact C-N 3.29Å; F645-R647 PolarHBondContact O-N 3.47Å; F645-K648 PolarHBondContact O-N 2.9Å; F645-Q649 HydrophobicContact CZ-CB 4.39Å; F645-Q649 VanDerWaalsContact CZ-OE1 3.24Å; F645-Q649 PolarHBondContact O-N 3.39Å; F645-V652 HydrophobicContact CE1-CG2 3.92Å; F645-V652 HydrophobicContact CZ-CG2 4.15Å; F645-V661 HydrophobicContact CD1-CG1 4.08Å; F645-V661 HydrophobicContact CE1-CB 4.45Å; F645-V661 HydrophobicContact CE1-CG1 3.77Å; F645-V661 HydrophobicContact CE1-CG2 3.75Å; F645-V661 HydrophobicContact CE2-CG2 4.43Å; F645-V661 HydrophobicContact CZ-CB 4.41Å; F645-V661 HydrophobicContact CZ-CG1 4.09Å; F645-V661 HydrophobicContact CZ-CG2 3.55Å; F645-Y664 AromaticContact CD2-CD1 3.86Å; F645-Y664 HydrophobicContact CD2-CD1 3.86Å; F645-Y664 AromaticContact CD2-CE1 3.81Å; F645-Y664 HydrophobicContact CD2-CE1 3.81Å; F645-Y664 HydrophobicContact CE2-CD1 4.23Å; F645-Y664 HydrophobicContact CE2-CE1 4.46Å; F645-L665 HydrophobicContact CB-CD2 4.05Å; F645-L665 HydrophobicContact CG-CD2 4.48Å
646F89.1Confident90.7Very high1 Ų180.6 Ų80.60%0.00436%0.358CS..Hα-helixtrans-66.2-28177.4-66.4-46.8000113.2L642 Y643 K648 Q649 P650 V652 I676 F679 V685 L692 M694L642-F646 HydrophobicContact CD1-CD2 4.05Å; L642-F646 HydrophobicContact CD1-CE2 3.36Å; L642-F646 HydrophobicContact CD1-CZ 3.67Å; L642-F646 HydrophobicContact CD2-CE2 4.09Å; L642-F646 HydrophobicContact CG-CD2 4.01Å; L642-F646 HydrophobicContact CG-CE2 3.55Å; L642-F646 HydrophobicContact CG-CZ 4.36Å; L642-F646 WeakPolarHBondContact O-CD2 3.49Å; L642-F646 PolarHBondContact O-N 3.46Å; Y643-F646 PolarHBondContact O-N 3.21Å; F646-K648 VanDerWaalsContact C-N 3.31Å; F646-K648 PolarHBondContact O-N 2.87Å; F646-Q649 CarbonylContact O-C 3.46Å; F646-Q649 PolarHBondContact O-N 2.85Å; F646-Q649 VanDerWaalsContact O-O 3.1Å; F646-P650 WeakPolarHBondContact O-CA 3.44Å; F646-P650 VanDerWaalsContact O-N 3.09Å; F646-V652 HydrophobicContact CD1-CG2 4.33Å; F646-V652 HydrophobicContact CE1-CB 4.46Å; F646-V652 HydrophobicContact CE1-CG2 4.35Å; F646-I676 HydrophobicContact CE2-CG1 4.34Å; F646-I676 HydrophobicContact CZ-CD1 4.31Å; F646-I676 HydrophobicContact CZ-CG1 4.11Å; F646-F679 HydrophobicContact CD2-CD2 4.09Å; F646-F679 HydrophobicContact CD2-CE2 4.32Å; F646-F679 HydrophobicContact CE2-CD2 4.19Å; F646-V685 HydrophobicContact CD2-CG1 3.95Å; F646-V685 HydrophobicContact CE2-CG1 4.31Å; F646-V685 HydrophobicContact CG-CG1 4.43Å; F646-L692 HydrophobicContact CD1-CD2 3.51Å; F646-L692 HydrophobicContact CD2-CD2 4.21Å; F646-L692 HydrophobicContact CE1-CD1 3.79Å; F646-L692 HydrophobicContact CE1-CD2 3.41Å; F646-L692 VanDerWaalsContact CE1-CD2 3.41Å; F646-L692 HydrophobicContact CE1-CG 4.18Å; F646-L692 HydrophobicContact CE2-CD1 3.87Å; F646-L692 HydrophobicContact CE2-CD2 4.1Å; F646-L692 HydrophobicContact CG-CD2 3.94Å; F646-L692 HydrophobicContact CZ-CD1 3.35Å; F646-L692 HydrophobicContact CZ-CD2 3.74Å; F646-L692 HydrophobicContact CZ-CG 4.18Å; F646-M694 HydrophobicContact CB-SD 4.23Å
647R88.9Confident90.7Very high172 Ų17276.5 Ų76.565%0.64935%0.345SS*.Hα-helixtrans-63.5-34.9169.2-77.6-165.470.7-179.52.6113.5Y643 Q644 F645 M694Y643-R647 HydrophobicContact CD1-CG 4.49Å; Y643-R647 HydrophobicContact CE1-CG 4.16Å; Y643-R647 PolarHBondContact O-N 3.28Å; Q644-R647 PolarHBondContact O-N 2.77Å; F645-R647 VanDerWaalsContact C-N 3.29Å; F645-R647 PolarHBondContact O-N 3.47Å; R647-M694 HydrophobicContact CB-SD 4.27Å; R647-M694 HydrophobicContact CG-CE 3.49Å; R647-M694 VanDerWaalsContact CG-CE 3.49Å; R647-M694 HydrophobicContact CG-SD 3.62Å
648K90.7Very high90.6Very high152 Ų15274.7 Ų74.766%0.66134%0.336SS*.Hα-helixtrans-82.6-31.5178.6-69.7178.6-179.3-179.90112.3Q644 F645 F646Q644-K648 WeakPolarHBondContact O-CG 3.49Å; Q644-K648 PolarHBondContact O-N 2.66Å; F645-K648 PolarHBondContact O-N 2.9Å; F646-K648 VanDerWaalsContact C-N 3.31Å; F646-K648 PolarHBondContact O-N 2.87Å
649Q89.3Confident90.6Very high103 Ų10379.7 Ų79.748%0.48136%0.357SS..SBendtrans-125.582.4175.5-65-169.3-500108.8F645 F646 R651 V652F645-Q649 HydrophobicContact CZ-CB 4.39Å; F645-Q649 VanDerWaalsContact CZ-OE1 3.24Å; F645-Q649 PolarHBondContact O-N 3.39Å; F646-Q649 CarbonylContact O-C 3.46Å; F646-Q649 PolarHBondContact O-N 2.85Å; F646-Q649 VanDerWaalsContact O-O 3.1Å; Q649-R651 PolarHBondContact O-N 2.94Å; Q649-R651 VanDerWaalsContact O-N 3.07Å; Q649-V652 HydrophobicContact CB-CG2 3.78Å; Q649-V652 WeakPolarHBondContact O-CG2 3.27Å
650P86.9Confident90.5Very high72 Ų7283.3 Ų83.347%0.46838%0.38SS..SBendtrans-64.6-14.6-173.7-2334.5000114.4F646 Q693 M694F646-P650 WeakPolarHBondContact O-CA 3.44Å; F646-P650 VanDerWaalsContact O-N 3.09Å; P650-Q693 CarbonylContact O-C 3.56Å; P650-Q693 WeakPolarHBondContact O-CA 3.48Å; P650-M694 HydrophobicContact CB-CB 4.39Å; P650-M694 PolarHBondContact O-N 3.24Å
651R91.4Very high90.5Very high179 Ų17981.2 Ų81.268%0.67536%0.362SS*.EExtended strand (participates in β ladder)trans-135.8121178.1-172.8177.1177163.44.4109.7Q649 V691 L692Q649-R651 PolarHBondContact O-N 2.94Å; Q649-R651 VanDerWaalsContact O-N 3.07Å; R651-V691 HydrophobicContact CG-CG1 3.63Å; R651-L692 CarbonylContact C-O 3.54Å; R651-L692 WeakPolarHBondContact CA-O 3.44Å
652V90Very high90.5Very high8 Ų877 Ų775%0.04835%0.345CS..EExtended strand (participates in β ladder)trans-138.5123.3-178.8-178.80000109.3F645 F646 Q649 I654 K657 V661 L692F645-V652 HydrophobicContact CE1-CG2 3.92Å; F645-V652 HydrophobicContact CZ-CG2 4.15Å; F646-V652 HydrophobicContact CD1-CG2 4.33Å; F646-V652 HydrophobicContact CE1-CB 4.46Å; F646-V652 HydrophobicContact CE1-CG2 4.35Å; Q649-V652 HydrophobicContact CB-CG2 3.78Å; Q649-V652 WeakPolarHBondContact O-CG2 3.27Å; V652-I654 HydrophobicContact CG1-CD1 4.48Å; V652-I654 PolarHBondContact O-N 2.67Å; V652-K657 HydrophobicContact CG1-CB 3.97Å; V652-K657 HydrophobicContact CG1-CG 4.42Å; V652-V661 HydrophobicContact CG1-CG2 4.33Å; V652-L692 PolarHBondContact N-O 3.27Å; V652-L692 PolarHBondContact O-N 2.93Å
653D90.5Very high90.6Very high41 Ų4182.1 Ų82.122%0.21937%0.372CS..EExtended strand (participates in β ladder)trans-76102.8167.6-169.4-33.4000109R655 F656 K657 V691D653-R655 VanDerWaalsContact C-N 3.27Å; D653-R655 PolarHBondContact O-N 3.32Å; D653-R655 VanDerWaalsContact OD1-CB 3.29Å; D653-R655 WeakPolarHBondContact OD1-CB 3.26Å; D653-R655 PolarHBondContact OD1-N 2.94Å; D653-R655 IonicContact OD1-NE 2.92Å; D653-R655 PolarHBondContact OD1-NE 3.48Å; D653-R655 IonicContact OD1-NH2 3.23Å; D653-R655 IonicContact OD2-CZ 3.56Å; D653-R655 IonicContact OD2-NE 3.76Å; D653-R655 IonicContact OD2-NH2 3.69Å; D653-R655 PolarHBondContact OD2-NH2 3.18Å; D653-F656 HydrophobicContact CB-CD2 4.49Å; D653-K657 VanDerWaalsContact O-CB 3.26Å; D653-K657 WeakPolarHBondContact O-CB 3.34Å; D653-K657 WeakPolarHBondContact O-CG 3.45Å; D653-K657 PolarHBondContact O-N 3.08Å; D653-K657 VanDerWaalsContact O-N 3.14Å; D653-V691 HydrophobicContact CB-CG2 4.23Å
654I86.7Confident90.7Very high26 Ų2685.7 Ų85.713%0.13339%0.386CS..Hα-helixtrans-72.4-24.1-173.5-153.770.5000111.5V652 F656 K657 L658 V661 I676 G690V652-I654 HydrophobicContact CG1-CD1 4.48Å; V652-I654 PolarHBondContact O-N 2.67Å; I654-F656 VanDerWaalsContact C-N 3.26Å; I654-F656 PolarHBondContact O-N 2.84Å; I654-K657 PolarHBondContact O-N 2.95Å; I654-L658 HydrophobicContact CD1-CD1 4.12Å; I654-L658 HydrophobicContact CG1-CB 4.19Å; I654-L658 HydrophobicContact CG1-CD1 3.84Å; I654-L658 WeakPolarHBondContact O-CA 3.34Å; I654-L658 VanDerWaalsContact O-CB 3.23Å; I654-L658 WeakPolarHBondContact O-CB 3.35Å; I654-L658 PolarHBondContact O-N 2.99Å; I654-V661 HydrophobicContact CD1-CG2 4.34Å; I654-I676 HydrophobicContact CD1-CD1 3.57Å; I654-I676 HydrophobicContact CG1-CD1 3.74Å; I654-G690 PolarHBondContact N-O 2.69Å
655R85.5Confident90.7Very high125 Ų12581.1 Ų81.147%0.47237%0.365SS..Hα-helixtrans-58.2-41-179.7-60.6175.6-67.5-166.2-2.5111.6D653 D689D653-R655 VanDerWaalsContact C-N 3.27Å; D653-R655 PolarHBondContact O-N 3.32Å; D653-R655 VanDerWaalsContact OD1-CB 3.29Å; D653-R655 WeakPolarHBondContact OD1-CB 3.26Å; D653-R655 PolarHBondContact OD1-N 2.94Å; D653-R655 IonicContact OD1-NE 2.92Å; D653-R655 PolarHBondContact OD1-NE 3.48Å; D653-R655 IonicContact OD1-NH2 3.23Å; D653-R655 IonicContact OD2-CZ 3.56Å; D653-R655 IonicContact OD2-NE 3.76Å; D653-R655 IonicContact OD2-NH2 3.69Å; D653-R655 PolarHBondContact OD2-NH2 3.18Å; R655-D689 IonicContact CZ-OD2 3.91Å; R655-D689 PolarHBondContact NE-O 2.71Å; R655-D689 PolarHBondContact NH1-O 3.45Å; R655-D689 IonicContact NH1-OD1 3.16Å; R655-D689 PolarHBondContact NH1-OD1 3.26Å; R655-D689 VanDerWaalsContact NH1-OD1 3.16Å; R655-D689 IonicContact NH1-OD2 3.21Å; R655-D689 PolarHBondContact NH1-OD2 2.97Å; R655-D689 PolarHBondContact NH2-O 2.9Å; R655-D689 VanDerWaalsContact NH2-O 3.08Å; R655-D689 IonicContact NH2-OD2 3.43Å
656F88.2Confident90.8Very high159 Ų15990.9 Ų90.970%0.69740%0.402SS*.Hα-helixtrans-99-19.2-179.2-57.3-72.7000113.7D653 I654D653-F656 HydrophobicContact CB-CD2 4.49Å; I654-F656 VanDerWaalsContact C-N 3.26Å; I654-F656 PolarHBondContact O-N 2.84Å
657K91.1Very high90.9Very high111 Ų11191 Ų9148%0.48340%0.402SS..Hα-helixtrans-108-5.6-173.7-60.2-62.3-175.8-176.30114.4V652 D653 I654 K659 V660 V661V652-K657 HydrophobicContact CG1-CB 3.97Å; V652-K657 HydrophobicContact CG1-CG 4.42Å; D653-K657 VanDerWaalsContact O-CB 3.26Å; D653-K657 WeakPolarHBondContact O-CB 3.34Å; D653-K657 WeakPolarHBondContact O-CG 3.45Å; D653-K657 PolarHBondContact O-N 3.08Å; D653-K657 VanDerWaalsContact O-N 3.14Å; I654-K657 PolarHBondContact O-N 2.95Å; K657-K659 VanDerWaalsContact C-N 3.32Å; K657-K659 PolarHBondContact O-N 3.45Å; K657-V660 HydrophobicContact CD-CG2 4.42Å; K657-V660 WeakPolarHBondContact O-CA 3.41Å; K657-V660 WeakPolarHBondContact O-CB 3.24Å; K657-V660 PolarHBondContact O-N 3.43Å; K657-V661 HydrophobicContact CB-CG2 4.33Å; K657-V661 WeakPolarHBondContact O-CG2 3.48Å; K657-V661 PolarHBondContact O-N 3.2Å
658L91.6Very high91Very high34 Ų3486.1 Ų86.118%0.17839%0.393CS..Hα-helixtrans-48.6-51.8-177.3-176.966000112.5I654 V660 V661 S662 E669 L672 V673I654-L658 HydrophobicContact CD1-CD1 4.12Å; I654-L658 HydrophobicContact CG1-CB 4.19Å; I654-L658 HydrophobicContact CG1-CD1 3.84Å; I654-L658 WeakPolarHBondContact O-CA 3.34Å; I654-L658 VanDerWaalsContact O-CB 3.23Å; I654-L658 WeakPolarHBondContact O-CB 3.35Å; I654-L658 PolarHBondContact O-N 2.99Å; L658-V660 VanDerWaalsContact C-N 3.32Å; L658-V660 PolarHBondContact O-N 3.09Å; L658-V661 PolarHBondContact O-N 2.95Å; L658-S662 VanDerWaalsContact O-CB 3.23Å; L658-S662 WeakPolarHBondContact O-CB 3.45Å; L658-S662 PolarHBondContact O-N 2.89Å; L658-E669 HydrophobicContact CD2-CB 4.38Å; L658-L672 HydrophobicContact CD1-CD2 3.74Å; L658-L672 HydrophobicContact CD1-CG 4.04Å; L658-V673 HydrophobicContact CD1-CG2 3.67Å; L658-V673 HydrophobicContact CD2-CG2 3.54Å; L658-V673 HydrophobicContact CG-CG2 4.25Å
659K93.2Very high91.1Very high135 Ų13582.7 Ų82.759%0.58738%0.379SS*.Hα-helixtrans-61.2-37.9178.6-174.2166.2-171172.60113.3K657 N663 E669K657-K659 VanDerWaalsContact C-N 3.32Å; K657-K659 PolarHBondContact O-N 3.45Å; K659-N663 WeakPolarHBondContact O-CB 3.42Å; K659-N663 VanDerWaalsContact O-CG 3.25Å; K659-N663 PolarHBondContact O-N 2.91Å; K659-N663 PolarHBondContact O-ND2 3.34Å; K659-E669 WeakPolarHBondContact CG-OE1 3.41Å
660V92.8Very high91Very high86 Ų8682.1 Ų82.152%0.52138%0.375SS..Hα-helixtrans-68-44.1177.8-179.60000110.5K657 L658 N663 Y664K657-V660 HydrophobicContact CD-CG2 4.42Å; K657-V660 WeakPolarHBondContact O-CA 3.41Å; K657-V660 WeakPolarHBondContact O-CB 3.24Å; K657-V660 PolarHBondContact O-N 3.43Å; L658-V660 VanDerWaalsContact C-N 3.32Å; L658-V660 PolarHBondContact O-N 3.09Å; V660-N663 PolarHBondContact O-N 3.14Å; V660-Y664 VanDerWaalsContact O-CB 3.3Å; V660-Y664 WeakPolarHBondContact O-CB 3.28Å; V660-Y664 PolarHBondContact O-N 3.26Å
661V92.5Very high91.2Very high3 Ų379 Ų792%0.01835%0.354CS..Hα-helixtrans-66.5-44.1178-178.60000110.7F645 V652 I654 K657 L658 N663 Y664 L665 L672F645-V661 HydrophobicContact CD1-CG1 4.08Å; F645-V661 HydrophobicContact CE1-CB 4.45Å; F645-V661 HydrophobicContact CE1-CG1 3.77Å; F645-V661 HydrophobicContact CE1-CG2 3.75Å; F645-V661 HydrophobicContact CE2-CG2 4.43Å; F645-V661 HydrophobicContact CZ-CB 4.41Å; F645-V661 HydrophobicContact CZ-CG1 4.09Å; F645-V661 HydrophobicContact CZ-CG2 3.55Å; V652-V661 HydrophobicContact CG1-CG2 4.33Å; I654-V661 HydrophobicContact CD1-CG2 4.34Å; K657-V661 HydrophobicContact CB-CG2 4.33Å; K657-V661 WeakPolarHBondContact O-CG2 3.48Å; K657-V661 PolarHBondContact O-N 3.2Å; L658-V661 PolarHBondContact O-N 2.95Å; V661-N663 PolarHBondContact O-N 3.41Å; V661-Y664 PolarHBondContact O-N 3.04Å; V661-L665 HydrophobicContact CG1-CD1 3.69Å; V661-L665 HydrophobicContact CG1-CG 4.17Å; V661-L665 WeakPolarHBondContact O-CB 3.43Å; V661-L665 WeakPolarHBondContact O-CG 3.23Å; V661-L665 PolarHBondContact O-N 3.18Å; V661-L672 HydrophobicContact CB-CD2 3.93Å; V661-L672 HydrophobicContact CG1-CD1 4.34Å; V661-L672 HydrophobicContact CG1-CD2 3.73Å
662S93.9Very high91.3Very high9 Ų970.5 Ų70.56%0.06332%0.322CS..Hα-helixtrans-52.3-53.6173.5162.40000111.5L658 Y664 L665 R666 I667 E669L658-S662 VanDerWaalsContact O-CB 3.23Å; L658-S662 WeakPolarHBondContact O-CB 3.45Å; L658-S662 PolarHBondContact O-N 2.89Å; S662-Y664 PolarHBondContact O-N 3.05Å; S662-L665 PolarHBondContact O-N 3.23Å; S662-R666 VanDerWaalsContact O-CA 3.31Å; S662-R666 WeakPolarHBondContact O-CA 3.24Å; S662-R666 PolarHBondContact O-N 2.92Å; S662-I667 WeakPolarHBondContact CA-O 3.4Å; S662-I667 WeakPolarHBondContact CB-O 3.47Å; S662-I667 PolarHBondContact O-N 2.58Å; S662-I667 PolarHBondContact OG-O 3.23Å; S662-E669 WeakPolarHBondContact OG-CG 3.02Å
663N93.8Very high91.4Very high107 Ų10772.5 Ų72.557%0.57234%0.335SS*.Hα-helixtrans-63.7-41.8178.4-73-22000112.8K659 V660 V661 R666K659-N663 WeakPolarHBondContact O-CB 3.42Å; K659-N663 VanDerWaalsContact O-CG 3.25Å; K659-N663 PolarHBondContact O-N 2.91Å; K659-N663 PolarHBondContact O-ND2 3.34Å; V660-N663 PolarHBondContact O-N 3.14Å; V661-N663 PolarHBondContact O-N 3.41Å; N663-R666 PolarHBondContact O-N 3.47Å
664Y93.4Very high91.4Very high147 Ų14771.4 Ų71.458%0.57633%0.328SS*.Hα-helixtrans-64.6-44.1-180176.3-98.4000112F645 V660 V661 S662 R666F645-Y664 AromaticContact CD2-CD1 3.86Å; F645-Y664 HydrophobicContact CD2-CD1 3.86Å; F645-Y664 AromaticContact CD2-CE1 3.81Å; F645-Y664 HydrophobicContact CD2-CE1 3.81Å; F645-Y664 HydrophobicContact CE2-CD1 4.23Å; F645-Y664 HydrophobicContact CE2-CE1 4.46Å; V660-Y664 VanDerWaalsContact O-CB 3.3Å; V660-Y664 WeakPolarHBondContact O-CB 3.28Å; V660-Y664 PolarHBondContact O-N 3.26Å; V661-Y664 PolarHBondContact O-N 3.04Å; S662-Y664 PolarHBondContact O-N 3.05Å; Y664-R666 VanDerWaalsContact C-N 3.32Å
665L93.5Very high91.8Very high17 Ų1770.1 Ų70.19%0.08932%0.321CS..Hα-helixtrans-81.4-13.7178.8-62.3-179000113.1K641 L642 F645 V661 S662 I667 L672K641-L665 HydrophobicContact CB-CD2 4.26Å; L642-L665 HydrophobicContact CB-CD1 4.33Å; L642-L665 HydrophobicContact CD1-CD1 3.6Å; F645-L665 HydrophobicContact CB-CD2 4.05Å; F645-L665 HydrophobicContact CG-CD2 4.48Å; V661-L665 HydrophobicContact CG1-CD1 3.69Å; V661-L665 HydrophobicContact CG1-CG 4.17Å; V661-L665 WeakPolarHBondContact O-CB 3.43Å; V661-L665 WeakPolarHBondContact O-CG 3.23Å; V661-L665 PolarHBondContact O-N 3.18Å; S662-L665 PolarHBondContact O-N 3.23Å; L665-I667 VanDerWaalsContact C-N 3.31Å; L665-I667 HydrophobicContact CB-CB 4.35Å; L665-I667 HydrophobicContact CB-CD1 3.74Å; L665-I667 HydrophobicContact CB-CG1 3.83Å; L665-I667 HydrophobicContact CD1-CD1 4.11Å; L665-L672 HydrophobicContact CD1-CD1 4.16Å
666R93Very high92.2Very high222 Ų22264.5 Ų64.584%0.83830%0.3SS*.THydrogen-bonded Turntrans55.346.5-170.1-53.8179.7-179-178.3-0.5111.3S662 N663 Y664S662-R666 VanDerWaalsContact O-CA 3.31Å; S662-R666 WeakPolarHBondContact O-CA 3.24Å; S662-R666 PolarHBondContact O-N 2.92Å; N663-R666 PolarHBondContact O-N 3.47Å; Y664-R666 VanDerWaalsContact C-N 3.32Å
667I92.7Very high92.4Very high3 Ų361.3 Ų61.32%0.01529%0.287CS..  trans-120.8125.6178.8-60.7175.2000107.4Q638 S662 L665 L671 L672 M675Q638-I667 HydrophobicContact CB-CD1 3.86Å; Q638-I667 HydrophobicContact CB-CG1 4.48Å; Q638-I667 HydrophobicContact CG-CD1 4.17Å; Q638-I667 HydrophobicContact CG-CG1 4.26Å; S662-I667 WeakPolarHBondContact CA-O 3.4Å; S662-I667 WeakPolarHBondContact CB-O 3.47Å; S662-I667 PolarHBondContact O-N 2.58Å; S662-I667 PolarHBondContact OG-O 3.23Å; L665-I667 VanDerWaalsContact C-N 3.31Å; L665-I667 HydrophobicContact CB-CB 4.35Å; L665-I667 HydrophobicContact CB-CD1 3.74Å; L665-I667 HydrophobicContact CB-CG1 3.83Å; L665-I667 HydrophobicContact CD1-CD1 4.11Å; I667-L671 HydrophobicContact CG2-CB 4.08Å; I667-L671 HydrophobicContact CG2-CD2 4.2Å; I667-L671 HydrophobicContact CG2-CG 4.26Å; I667-L672 HydrophobicContact CB-CB 4.5Å; I667-L672 HydrophobicContact CG2-CB 3.95Å; I667-M675 HydrophobicContact CD1-CE 3.96Å; I667-M675 HydrophobicContact CD1-SD 3.96Å; I667-M675 HydrophobicContact CG2-SD 3.89Å
668P90.8Very high92.5Very high70 Ų7056 Ų5646%0.45526%0.264SS..  trans-52.5144.3177.5-26.134.4000112.5K670 L671 L672P668-K670 PolarHBondContact O-N 3.37Å; P668-L671 HydrophobicContact CB-CB 4.37Å; P668-L671 PolarHBondContact O-N 3.38Å; P668-L671 VanDerWaalsContact O-N 3.07Å; P668-L672 PolarHBondContact O-N 3.09Å
669E91.4Very high92.6Very high79 Ų7954.9 Ų54.937%0.36926%0.258SS..Hα-helixtrans-57.3-45.6-173.5-67.3-176.7-156.900112.5L658 K659 S662 L671 L672 V673L658-E669 HydrophobicContact CD2-CB 4.38Å; K659-E669 WeakPolarHBondContact CG-OE1 3.41Å; S662-E669 WeakPolarHBondContact OG-CG 3.02Å; E669-L671 VanDerWaalsContact C-N 3.33Å; E669-L671 PolarHBondContact O-N 3.08Å; E669-L672 PolarHBondContact O-N 3.15Å; E669-V673 VanDerWaalsContact O-CG2 3.3Å; E669-V673 WeakPolarHBondContact O-CG2 3.31Å; E669-V673 PolarHBondContact O-N 2.91Å
670K88.6Confident92.6Very high91 Ų9150.4 Ų50.440%0.39624%0.244SC..Hα-helixtrans-55.9-46.4175.9-72.5-173.9177.6-1750111.7P625 E627 P668 V673 F674P625-K670 PolarHBondContact O-NZ 3.01Å; E627-K670 IonicContact OE2-NZ 3.7Å; E627-K670 PolarHBondContact OE2-NZ 2.85Å; P668-K670 PolarHBondContact O-N 3.37Å; K670-V673 PolarHBondContact O-N 2.87Å; K670-F674 PolarHBondContact O-N 3.42Å; K670-F674 VanDerWaalsContact O-N 3.08Å
671L91Very high92.6Very high7 Ų749 Ų494%0.03723%0.231CC..Hα-helixtrans-69.4-39.2-179.1-166.665.3000111.9P634 I667 P668 E669 F674 M675P634-L671 HydrophobicContact CB-CD1 4.49Å; P634-L671 HydrophobicContact CB-CG 4.49Å; P634-L671 HydrophobicContact CG-CD1 3.66Å; P634-L671 HydrophobicContact CG-CG 4.02Å; I667-L671 HydrophobicContact CG2-CB 4.08Å; I667-L671 HydrophobicContact CG2-CD2 4.2Å; I667-L671 HydrophobicContact CG2-CG 4.26Å; P668-L671 HydrophobicContact CB-CB 4.37Å; P668-L671 PolarHBondContact O-N 3.38Å; P668-L671 VanDerWaalsContact O-N 3.07Å; E669-L671 VanDerWaalsContact C-N 3.33Å; E669-L671 PolarHBondContact O-N 3.08Å; L671-F674 HydrophobicContact CD1-CD1 4.37Å; L671-F674 WeakPolarHBondContact O-CB 3.39Å; L671-F674 PolarHBondContact O-N 3.49Å; L671-M675 VanDerWaalsContact O-CG 3.23Å; L671-M675 WeakPolarHBondContact O-CG 3.34Å; L671-M675 PolarHBondContact O-N 3.34Å
672L93.1Very high92.7Very high0 Ų049 Ų490%023%0.231CC..Hα-helixtrans-63.4-44.7175.4176.260.5000111.6L642 L658 V661 L665 I667 P668 E669 F674 M675 I676L642-L672 HydrophobicContact CD1-CD1 3.6Å; L642-L672 HydrophobicContact CD2-CD1 4.2Å; L658-L672 HydrophobicContact CD1-CD2 3.74Å; L658-L672 HydrophobicContact CD1-CG 4.04Å; V661-L672 HydrophobicContact CB-CD2 3.93Å; V661-L672 HydrophobicContact CG1-CD1 4.34Å; V661-L672 HydrophobicContact CG1-CD2 3.73Å; L665-L672 HydrophobicContact CD1-CD1 4.16Å; I667-L672 HydrophobicContact CB-CB 4.5Å; I667-L672 HydrophobicContact CG2-CB 3.95Å; P668-L672 PolarHBondContact O-N 3.09Å; E669-L672 PolarHBondContact O-N 3.15Å; L672-F674 VanDerWaalsContact C-N 3.31Å; L672-F674 PolarHBondContact O-N 3.36Å; L672-M675 PolarHBondContact O-N 2.93Å; L672-I676 HydrophobicContact CD1-CD1 4.11Å; L672-I676 HydrophobicContact CD1-CG1 4.31Å; L672-I676 HydrophobicContact CG-CD1 4.01Å; L672-I676 VanDerWaalsContact O-CG1 3.31Å; L672-I676 WeakPolarHBondContact O-CG1 3.49Å; L672-I676 PolarHBondContact O-N 3.39Å
673V91.3Very high92.6Very high51 Ų5155.7 Ų55.731%0.30926%0.259SS..Hα-helixtrans-58.4-45.7175.1171.30000110.2L658 E669 K670 M675 I676 H677L658-V673 HydrophobicContact CD1-CG2 3.67Å; L658-V673 HydrophobicContact CD2-CG2 3.54Å; L658-V673 HydrophobicContact CG-CG2 4.25Å; E669-V673 VanDerWaalsContact O-CG2 3.3Å; E669-V673 WeakPolarHBondContact O-CG2 3.31Å; E669-V673 PolarHBondContact O-N 2.91Å; K670-V673 PolarHBondContact O-N 2.87Å; V673-M675 PolarHBondContact O-N 3.02Å; V673-I676 PolarHBondContact O-N 3.09Å; V673-H677 VanDerWaalsContact CG1-CE1 3.41Å; V673-H677 WeakPolarHBondContact CG1-CE1 3.38Å; V673-H677 PolarHBondContact O-N 3.16Å; V673-H677 VanDerWaalsContact O-N 3.12Å; V673-H677 PolarHBondContact O-ND1 3.31Å
674F92Very high92.5Very high17 Ų1751.6 Ų51.68%0.07524%0.237CC..Hα-helixtrans-58-48.6174.8166.8-100.8000112.3P634 K670 L671 L672 I676 H677 V678 I708 Y709 R712P634-F674 HydrophobicContact CG-CD1 3.62Å; P634-F674 HydrophobicContact CG-CE1 3.6Å; K670-F674 PolarHBondContact O-N 3.42Å; K670-F674 VanDerWaalsContact O-N 3.08Å; L671-F674 HydrophobicContact CD1-CD1 4.37Å; L671-F674 WeakPolarHBondContact O-CB 3.39Å; L671-F674 PolarHBondContact O-N 3.49Å; L672-F674 VanDerWaalsContact C-N 3.31Å; L672-F674 PolarHBondContact O-N 3.36Å; F674-I676 VanDerWaalsContact C-N 3.27Å; F674-I676 PolarHBondContact O-N 2.93Å; F674-H677 PolarHBondContact O-N 3.37Å; F674-H677 VanDerWaalsContact O-N 3.11Å; F674-V678 HydrophobicContact CD2-CG2 4.47Å; F674-V678 HydrophobicContact CE1-CG2 4.01Å; F674-V678 HydrophobicContact CE2-CG2 3.99Å; F674-V678 HydrophobicContact CZ-CG2 3.75Å; F674-V678 PolarHBondContact O-N 3.48Å; F674-I708 HydrophobicContact CD2-CG2 3.96Å; F674-I708 HydrophobicContact CE2-CG2 3.6Å; F674-I708 WeakPolarHBondContact CE2-O 3.33Å; F674-Y709 HydrophobicContact CE1-CD2 4.06Å; F674-Y709 AromaticContact CZ-CD2 3.9Å; F674-Y709 HydrophobicContact CZ-CD2 3.9Å; F674-R712 HydrophobicContact CD2-CB 4.47Å; F674-R712 VanDerWaalsContact CD2-CD 3.47Å; F674-R712 HydrophobicContact CE2-CB 3.54Å; F674-R712 HydrophobicContact CE2-CG 4Å; F674-R712 HydrophobicContact CZ-CB 3.67Å; F674-R712 HydrophobicContact CZ-CG 4.06Å
675M94.4Very high92.5Very high0 Ų044.7 Ų44.70%021%0.21CC..Hα-helixtrans-60.1-36.7178.4-67.7166.571.200112.9P634 Q638 F639 L642 I667 L671 L672 V673 V678 F679P634-M675 HydrophobicContact CB-CE 4.25Å; P634-M675 HydrophobicContact CB-CG 3.63Å; P634-M675 HydrophobicContact CB-SD 3.76Å; P634-M675 HydrophobicContact CG-CG 3.33Å; P634-M675 HydrophobicContact CG-SD 4.03Å; Q638-M675 HydrophobicContact CB-CE 3.74Å; Q638-M675 HydrophobicContact CB-SD 4.31Å; Q638-M675 VanDerWaalsContact O-CE 3.3Å; Q638-M675 WeakPolarHBondContact O-CE 3.26Å; F639-M675 HydrophobicContact CD1-CB 4.31Å; F639-M675 HydrophobicContact CD1-CE 3.79Å; F639-M675 HydrophobicContact CD1-CG 4.23Å; F639-M675 HydrophobicContact CE1-CB 3.85Å; F639-M675 HydrophobicContact CE1-CE 4.29Å; F639-M675 HydrophobicContact CE1-CG 3.77Å; F639-M675 HydrophobicContact CG-CE 4.14Å; F639-M675 HydrophobicContact CZ-CG 4.19Å; L642-M675 HydrophobicContact CB-CE 3.92Å; L642-M675 HydrophobicContact CD2-CB 3.6Å; L642-M675 HydrophobicContact CD2-CE 3.86Å; I667-M675 HydrophobicContact CD1-CE 3.96Å; I667-M675 HydrophobicContact CD1-SD 3.96Å; I667-M675 HydrophobicContact CG2-SD 3.89Å; L671-M675 VanDerWaalsContact O-CG 3.23Å; L671-M675 WeakPolarHBondContact O-CG 3.34Å; L671-M675 PolarHBondContact O-N 3.34Å; L672-M675 PolarHBondContact O-N 2.93Å; V673-M675 PolarHBondContact O-N 3.02Å; M675-V678 PolarHBondContact O-N 3.11Å; M675-F679 PolarHBondContact O-N 3.44Å
676I93.2Very high92.4Very high6 Ų647.4 Ų47.43%0.03123%0.227CC..Hα-helixtrans-64.8-41.2176.3-73.6169.3000111L642 F646 I654 L672 V673 F674 F679 S680 I687 L692L642-I676 HydrophobicContact CD2-CG1 4.27Å; F646-I676 HydrophobicContact CE2-CG1 4.34Å; F646-I676 HydrophobicContact CZ-CD1 4.31Å; F646-I676 HydrophobicContact CZ-CG1 4.11Å; I654-I676 HydrophobicContact CD1-CD1 3.57Å; I654-I676 HydrophobicContact CG1-CD1 3.74Å; L672-I676 HydrophobicContact CD1-CD1 4.11Å; L672-I676 HydrophobicContact CD1-CG1 4.31Å; L672-I676 HydrophobicContact CG-CD1 4.01Å; L672-I676 VanDerWaalsContact O-CG1 3.31Å; L672-I676 WeakPolarHBondContact O-CG1 3.49Å; L672-I676 PolarHBondContact O-N 3.39Å; V673-I676 PolarHBondContact O-N 3.09Å; F674-I676 VanDerWaalsContact C-N 3.27Å; F674-I676 PolarHBondContact O-N 2.93Å; I676-F679 PolarHBondContact O-N 3.15Å; I676-S680 WeakPolarHBondContact O-CB 3.41Å; I676-S680 PolarHBondContact O-N 3.06Å; I676-I687 HydrophobicContact CG2-CD1 3.73Å; I676-L692 HydrophobicContact CB-CD1 4.46Å; I676-L692 HydrophobicContact CD1-CD1 4.39Å; I676-L692 HydrophobicContact CG1-CD1 4.18Å; I676-L692 HydrophobicContact CG2-CD1 3.56Å
677H92.2Very high92.1Very high92 Ų9240 Ų4043%0.42620%0.203SC..Hα-helixtrans-64.6-41.5175.6-71.199.2000111.9V673 F674 F679 S680 E681 I708V673-H677 VanDerWaalsContact CG1-CE1 3.41Å; V673-H677 WeakPolarHBondContact CG1-CE1 3.38Å; V673-H677 PolarHBondContact O-N 3.16Å; V673-H677 VanDerWaalsContact O-N 3.12Å; V673-H677 PolarHBondContact O-ND1 3.31Å; F674-H677 PolarHBondContact O-N 3.37Å; F674-H677 VanDerWaalsContact O-N 3.11Å; H677-F679 VanDerWaalsContact C-N 3.32Å; H677-F679 PolarHBondContact O-N 3.16Å; H677-S680 WeakPolarHBondContact O-CB 3.43Å; H677-S680 PolarHBondContact O-N 3.47Å; H677-S680 VanDerWaalsContact O-N 3.16Å; H677-E681 PolarHBondContact O-N 3.23Å; H677-I708 HydrophobicContact CB-CD1 4.04Å; H677-I708 HydrophobicContact CB-CG2 4.48Å
678V93.9Very high91.9Very high0 Ų046 Ų460%024%0.236CC..Hα-helixtrans-58.2-44.9172.5171.50000110.9F639 F674 M675 S680 E681 L682 F703 I708F639-V678 HydrophobicContact CE1-CB 4.23Å; F639-V678 HydrophobicContact CE1-CG1 3.98Å; F639-V678 HydrophobicContact CZ-CB 4.45Å; F639-V678 HydrophobicContact CZ-CG1 4.07Å; F674-V678 HydrophobicContact CD2-CG2 4.47Å; F674-V678 HydrophobicContact CE1-CG2 4.01Å; F674-V678 HydrophobicContact CE2-CG2 3.99Å; F674-V678 HydrophobicContact CZ-CG2 3.75Å; F674-V678 PolarHBondContact O-N 3.48Å; M675-V678 PolarHBondContact O-N 3.11Å; V678-S680 VanDerWaalsContact C-N 3.31Å; V678-S680 PolarHBondContact O-N 3.31Å; V678-E681 PolarHBondContact O-N 2.98Å; V678-L682 HydrophobicContact CG1-CD1 3.93Å; V678-L682 WeakPolarHBondContact O-CB 3.29Å; V678-L682 WeakPolarHBondContact O-CG 3.29Å; V678-L682 PolarHBondContact O-N 2.89Å; V678-F703 HydrophobicContact CG1-CB 4.24Å; V678-I708 HydrophobicContact CG2-CB 4.31Å; V678-I708 HydrophobicContact CG2-CG2 3.93Å
679F93.9Very high91.6Very high11 Ų1148.3 Ų48.35%0.04824%0.244CC..Hα-helixtrans-64.2-36.2176.6-85.620.3000112.9F639 L642 Y643 F646 M675 I676 H677 K683 F684 V685F639-F679 HydrophobicContact CB-CE1 4.37Å; F639-F679 HydrophobicContact CB-CZ 4.45Å; F639-F679 HydrophobicContact CD1-CD1 4.06Å; F639-F679 AromaticContact CD1-CE1 3.35Å; F639-F679 HydrophobicContact CD1-CE1 3.35Å; F639-F679 HydrophobicContact CD1-CZ 4.01Å; F639-F679 HydrophobicContact CE1-CD1 4.24Å; F639-F679 AromaticContact CE1-CE1 3.97Å; F639-F679 HydrophobicContact CE1-CE1 3.97Å; F639-F679 HydrophobicContact CG-CE1 4.25Å; F639-F679 WeakPolarHBondContact O-CZ 3.07Å; L642-F679 HydrophobicContact CB-CE2 4.15Å; L642-F679 HydrophobicContact CB-CZ 4.36Å; L642-F679 HydrophobicContact CD2-CD2 4.05Å; L642-F679 HydrophobicContact CD2-CE2 3.93Å; L642-F679 HydrophobicContact CD2-CZ 4.31Å; L642-F679 HydrophobicContact CG-CD2 4.23Å; L642-F679 HydrophobicContact CG-CE2 3.81Å; L642-F679 HydrophobicContact CG-CZ 4.4Å; Y643-F679 HydrophobicContact CD2-CE2 4.24Å; F646-F679 HydrophobicContact CD2-CD2 4.09Å; F646-F679 HydrophobicContact CD2-CE2 4.32Å; F646-F679 HydrophobicContact CE2-CD2 4.19Å; M675-F679 PolarHBondContact O-N 3.44Å; I676-F679 PolarHBondContact O-N 3.15Å; H677-F679 VanDerWaalsContact C-N 3.32Å; H677-F679 PolarHBondContact O-N 3.16Å; F679-K683 PolarHBondContact O-N 2.93Å; F679-F684 HydrophobicContact CB-CB 4.12Å; F679-F684 HydrophobicContact CD1-CD2 4.3Å; F679-F684 HydrophobicContact CD2-CB 4.26Å; F679-F684 HydrophobicContact CG-CB 4.15Å; F679-F684 PolarHBondContact O-N 3.42Å; F679-V685 HydrophobicContact CB-CG1 4.33Å; F679-V685 HydrophobicContact CB-CG2 3.85Å; F679-V685 HydrophobicContact CD2-CG1 4.3Å; F679-V685 PolarHBondContact O-N 3.14Å
680S92.7Very high91.2Very high40 Ų4045.4 Ų45.428%0.2824%0.235SC..Hα-helixtrans-67-47.4177.7-169.30000111.3I676 H677 V678 L682 K683 V685I676-S680 WeakPolarHBondContact O-CB 3.41Å; I676-S680 PolarHBondContact O-N 3.06Å; H677-S680 WeakPolarHBondContact O-CB 3.43Å; H677-S680 PolarHBondContact O-N 3.47Å; H677-S680 VanDerWaalsContact O-N 3.16Å; V678-S680 VanDerWaalsContact C-N 3.31Å; V678-S680 PolarHBondContact O-N 3.31Å; S680-L682 PolarHBondContact O-N 3.16Å; S680-K683 WeakPolarHBondContact O-CA 3.42Å; S680-K683 PolarHBondContact O-N 3.38Å; S680-V685 WeakPolarHBondContact CA-O 3.17Å
681E93.7Very high91.2Very high56 Ų5642.2 Ų42.226%0.26222%0.223SC..Hα-helixtrans-60.5-44.5177.5-178.4-172.1-166.200112.2H677 V678 K683 S706 E707 I708H677-E681 PolarHBondContact O-N 3.23Å; V678-E681 PolarHBondContact O-N 2.98Å; E681-K683 PolarHBondContact O-N 3.2Å; E681-S706 WeakPolarHBondContact OE2-CA 3.44Å; E681-S706 VanDerWaalsContact OE2-CB 3.24Å; E681-S706 WeakPolarHBondContact OE2-CB 3.48Å; E681-S706 PolarHBondContact OE2-OG 3.2Å; E681-E707 VanDerWaalsContact OE1-CB 3.24Å; E681-E707 WeakPolarHBondContact OE1-CB 3.3Å; E681-E707 PolarHBondContact OE1-N 2.93Å; E681-E707 PolarHBondContact OE2-N 3.42Å; E681-I708 HydrophobicContact CB-CD1 3.93Å; E681-I708 HydrophobicContact CG-CD1 4.43Å; E681-I708 VanDerWaalsContact OE2-CB 3.3Å; E681-I708 WeakPolarHBondContact OE2-CB 3.5Å; E681-I708 VanDerWaalsContact OE2-CG1 3.26Å; E681-I708 WeakPolarHBondContact OE2-CG1 3.46Å; E681-I708 PolarHBondContact OE2-N 3.49Å; E681-I708 VanDerWaalsContact OE2-N 3.12Å
682L93.8Very high91.2Very high3 Ų341.9 Ų41.92%0.01622%0.222CC..THydrogen-bonded Turntrans-77.12.6177.1-62.6177.4000113.2V678 S680 F684 R701 F703 E705V678-L682 HydrophobicContact CG1-CD1 3.93Å; V678-L682 WeakPolarHBondContact O-CB 3.29Å; V678-L682 WeakPolarHBondContact O-CG 3.29Å; V678-L682 PolarHBondContact O-N 2.89Å; S680-L682 PolarHBondContact O-N 3.16Å; L682-F684 VanDerWaalsContact C-N 3.28Å; L682-F684 HydrophobicContact CB-CD2 3.59Å; L682-F684 HydrophobicContact CB-CE2 3.63Å; L682-F684 HydrophobicContact CD1-CD2 4.46Å; L682-F684 HydrophobicContact CD1-CE2 4.01Å; L682-F684 HydrophobicContact CG-CE2 4.49Å; L682-F684 PolarHBondContact O-N 3.17Å; L682-R701 HydrophobicContact CD2-CB 4.23Å; L682-R701 VanDerWaalsContact CD2-CZ 3.49Å; L682-F703 HydrophobicContact CD1-CB 4.46Å; L682-E705 HydrophobicContact CD2-CB 4.27Å
683K92.6Very high91.1Very high150 Ų15046.8 Ų46.865%0.65224%0.244SC*.THydrogen-bonded Turntrans60.730.8177.6-51.8180-178.6177.10114F679 S680 E681 V685 V695F679-K683 PolarHBondContact O-N 2.93Å; S680-K683 WeakPolarHBondContact O-CA 3.42Å; S680-K683 PolarHBondContact O-N 3.38Å; E681-K683 PolarHBondContact O-N 3.2Å; K683-V685 VanDerWaalsContact C-N 3.34Å; K683-V695 VanDerWaalsContact O-CG2 3.31Å; K683-V695 WeakPolarHBondContact O-CG2 3.42Å
684F91.6Very high91.1Very high22 Ų2245.7 Ų45.710%0.09624%0.237CC..SBendtrans-75.1-29.5166.4-71.2-73.2000111.8Y643 F679 L682 V695 P698 R701Y643-F684 HydrophobicContact CD2-CD1 4.2Å; Y643-F684 AromaticContact CE2-CD1 3.74Å; Y643-F684 HydrophobicContact CE2-CD1 3.74Å; Y643-F684 HydrophobicContact CE2-CE1 4.28Å; F679-F684 HydrophobicContact CB-CB 4.12Å; F679-F684 HydrophobicContact CD1-CD2 4.3Å; F679-F684 HydrophobicContact CD2-CB 4.26Å; F679-F684 HydrophobicContact CG-CB 4.15Å; F679-F684 PolarHBondContact O-N 3.42Å; L682-F684 VanDerWaalsContact C-N 3.28Å; L682-F684 HydrophobicContact CB-CD2 3.59Å; L682-F684 HydrophobicContact CB-CE2 3.63Å; L682-F684 HydrophobicContact CD1-CD2 4.46Å; L682-F684 HydrophobicContact CD1-CE2 4.01Å; L682-F684 HydrophobicContact CG-CE2 4.49Å; L682-F684 PolarHBondContact O-N 3.17Å; F684-V695 PolarHBondContact O-N 3.3Å; F684-V695 VanDerWaalsContact O-N 3.13Å; F684-P698 HydrophobicContact CD1-CB 3.64Å; F684-P698 HydrophobicContact CD1-CG 3.74Å; F684-P698 HydrophobicContact CE1-CB 4.13Å; F684-P698 HydrophobicContact CE1-CG 4.22Å; F684-P698 HydrophobicContact CG-CB 4.41Å; F684-R701 HydrophobicContact CE2-CB 4.42Å; F684-R701 HydrophobicContact CZ-CB 4.41Å; F684-R701 WeakPolarHBondContact CZ-O 3.47Å
685V92Very high91Very high2 Ų247 Ų471%0.01225%0.246CC..EExtended strand (participates in β ladder)trans-137.5156.4177.9-54.10000109.4F646 F679 S680 K683 L692 Q693F646-V685 HydrophobicContact CD2-CG1 3.95Å; F646-V685 HydrophobicContact CE2-CG1 4.31Å; F646-V685 HydrophobicContact CG-CG1 4.43Å; F679-V685 HydrophobicContact CB-CG1 4.33Å; F679-V685 HydrophobicContact CB-CG2 3.85Å; F679-V685 HydrophobicContact CD2-CG1 4.3Å; F679-V685 PolarHBondContact O-N 3.14Å; S680-V685 WeakPolarHBondContact CA-O 3.17Å; K683-V685 VanDerWaalsContact C-N 3.34Å; V685-L692 HydrophobicContact CB-CD1 4.3Å; V685-L692 HydrophobicContact CB-CD2 3.77Å; V685-L692 HydrophobicContact CB-CG 3.86Å; V685-L692 HydrophobicContact CG1-CD1 4.45Å; V685-L692 HydrophobicContact CG1-CD2 3.67Å; V685-L692 HydrophobicContact CG1-CG 4.21Å; V685-L692 HydrophobicContact CG2-CD1 3.97Å; V685-L692 HydrophobicContact CG2-CD2 4.37Å; V685-L692 HydrophobicContact CG2-CG 3.98Å; V685-Q693 CarbonylContact C-O 3.51Å; V685-Q693 WeakPolarHBondContact CA-O 3.18Å
686T91.3Very high90.4Very high73 Ų7356.7 Ų56.745%0.44829%0.291SS..EExtended strand (participates in β ladder)trans-111.6150.8164.1560000108.8L692 Q693 V695T686-L692 CarbonylContact O-C 3.57Å; T686-L692 WeakPolarHBondContact O-CA 3.4Å; T686-Q693 PolarHBondContact N-O 3.4Å; T686-Q693 PolarHBondContact O-N 2.92Å; T686-V695 HydrophobicContact CG2-CG2 4.13Å
687I88.4Confident89.9Confident66 Ų6660.5 Ų60.534%0.33832%0.324SS..EExtended strand (participates in β ladder)trans-123114176.4-55.4173.3000106.9I676 L692I676-I687 HydrophobicContact CG2-CD1 3.73Å; I687-L692 HydrophobicContact CG1-CG 4.47Å
688D87.5Confident89.5Confident131 Ų13157.5 Ų57.570%0.70131%0.312SS*.EExtended strand (participates in β ladder)trans-124.2125175-176.530.6000109.4G690 V691D688-G690 PolarHBondContact O-N 3.44Å; D688-G690 VanDerWaalsContact O-N 3.1Å; D688-V691 PolarHBondContact N-O 2.97Å; D688-V691 WeakPolarHBondContact O-CA 3.45Å; D688-V691 WeakPolarHBondContact O-CB 3.34Å; D688-V691 PolarHBondContact O-N 3.45Å
689D85.4Confident89.2Confident117 Ų11765 Ų6563%0.62635%0.347SS*.THydrogen-bonded Turntrans39.447.7-172.7-17138.3000114.2R655 V691R655-D689 IonicContact CZ-OD2 3.91Å; R655-D689 PolarHBondContact NE-O 2.71Å; R655-D689 PolarHBondContact NH1-O 3.45Å; R655-D689 IonicContact NH1-OD1 3.16Å; R655-D689 PolarHBondContact NH1-OD1 3.26Å; R655-D689 VanDerWaalsContact NH1-OD1 3.16Å; R655-D689 IonicContact NH1-OD2 3.21Å; R655-D689 PolarHBondContact NH1-OD2 2.97Å; R655-D689 PolarHBondContact NH2-O 2.9Å; R655-D689 VanDerWaalsContact NH2-O 3.08Å; R655-D689 IonicContact NH2-OD2 3.43Å; D689-V691 PolarHBondContact O-N 2.92Å; D689-V691 VanDerWaalsContact O-N 3.14Å
690G82.2Confident88.8Confident18 Ų1872.3 Ų72.319%0.18639%0.387CS..THydrogen-bonded Turntrans74.1-2.6179.800000115.9I654 D688I654-G690 PolarHBondContact N-O 2.69Å; D688-G690 PolarHBondContact O-N 3.44Å; D688-G690 VanDerWaalsContact O-N 3.1Å
691V88.5Confident88.6Confident25 Ų2574.1 Ų74.115%0.15239%0.387CS..EExtended strand (participates in β ladder)trans-90.3116.1171.8-175.70000109.2R651 D653 D688 D689R651-V691 HydrophobicContact CG-CG1 3.63Å; D653-V691 HydrophobicContact CB-CG2 4.23Å; D688-V691 PolarHBondContact N-O 2.97Å; D688-V691 WeakPolarHBondContact O-CA 3.45Å; D688-V691 WeakPolarHBondContact O-CB 3.34Å; D688-V691 PolarHBondContact O-N 3.45Å; D689-V691 PolarHBondContact O-N 2.92Å; D689-V691 VanDerWaalsContact O-N 3.14Å
692L90.6Very high88.4Confident0 Ų073.4 Ų73.40%039%0.391CS..EExtended strand (participates in β ladder)trans-85.6128.8174.8-176.2158.3000109.6F646 R651 V652 I676 V685 T686 I687F646-L692 HydrophobicContact CD1-CD2 3.51Å; F646-L692 HydrophobicContact CD2-CD2 4.21Å; F646-L692 HydrophobicContact CE1-CD1 3.79Å; F646-L692 HydrophobicContact CE1-CD2 3.41Å; F646-L692 VanDerWaalsContact CE1-CD2 3.41Å; F646-L692 HydrophobicContact CE1-CG 4.18Å; F646-L692 HydrophobicContact CE2-CD1 3.87Å; F646-L692 HydrophobicContact CE2-CD2 4.1Å; F646-L692 HydrophobicContact CG-CD2 3.94Å; F646-L692 HydrophobicContact CZ-CD1 3.35Å; F646-L692 HydrophobicContact CZ-CD2 3.74Å; F646-L692 HydrophobicContact CZ-CG 4.18Å; R651-L692 CarbonylContact C-O 3.54Å; R651-L692 WeakPolarHBondContact CA-O 3.44Å; V652-L692 PolarHBondContact N-O 3.27Å; V652-L692 PolarHBondContact O-N 2.93Å; I676-L692 HydrophobicContact CB-CD1 4.46Å; I676-L692 HydrophobicContact CD1-CD1 4.39Å; I676-L692 HydrophobicContact CG1-CD1 4.18Å; I676-L692 HydrophobicContact CG2-CD1 3.56Å; V685-L692 HydrophobicContact CB-CD1 4.3Å; V685-L692 HydrophobicContact CB-CD2 3.77Å; V685-L692 HydrophobicContact CB-CG 3.86Å; V685-L692 HydrophobicContact CG1-CD1 4.45Å; V685-L692 HydrophobicContact CG1-CD2 3.67Å; V685-L692 HydrophobicContact CG1-CG 4.21Å; V685-L692 HydrophobicContact CG2-CD1 3.97Å; V685-L692 HydrophobicContact CG2-CD2 4.37Å; V685-L692 HydrophobicContact CG2-CG 3.98Å; T686-L692 CarbonylContact O-C 3.57Å; T686-L692 WeakPolarHBondContact O-CA 3.4Å; I687-L692 HydrophobicContact CG1-CG 4.47Å
693Q92.4Very high88.1Confident102 Ų10274.9 Ų74.948%0.47740%0.398SS..EExtended strand (participates in β ladder)trans-124.4132.6176.9-172.5167.5-3.800110.8P650 V685 T686P650-Q693 CarbonylContact O-C 3.56Å; P650-Q693 WeakPolarHBondContact O-CA 3.48Å; V685-Q693 CarbonylContact C-O 3.51Å; V685-Q693 WeakPolarHBondContact CA-O 3.18Å; T686-Q693 PolarHBondContact N-O 3.4Å; T686-Q693 PolarHBondContact O-N 2.92Å
694M90.4Very high87.9Confident29 Ų2972 Ų7214%0.14339%0.386CS..EExtended strand (participates in β ladder)trans-73.1137.9176.9-172.4169.9-179.700110.7Y643 F646 R647 P650Y643-M694 HydrophobicContact CD2-CE 4.24Å; Y643-M694 HydrophobicContact CE1-CE 4.36Å; Y643-M694 HydrophobicContact CE2-CE 3.45Å; Y643-M694 VanDerWaalsContact CE2-CE 3.45Å; Y643-M694 WeakPolarHBondContact OH-CE 3.45Å; F646-M694 HydrophobicContact CB-SD 4.23Å; R647-M694 HydrophobicContact CB-SD 4.27Å; R647-M694 HydrophobicContact CG-CE 3.49Å; R647-M694 VanDerWaalsContact CG-CE 3.49Å; R647-M694 HydrophobicContact CG-SD 3.62Å; P650-M694 HydrophobicContact CB-CB 4.39Å; P650-M694 PolarHBondContact O-N 3.24Å
695V89.8Confident87.9Confident44 Ų4475.4 Ų75.427%0.26740%0.403SS..  trans-75.4132.9171.7177.70000108.8K683 F684 T686 A697 P698K683-V695 VanDerWaalsContact O-CG2 3.31Å; K683-V695 WeakPolarHBondContact O-CG2 3.42Å; F684-V695 PolarHBondContact O-N 3.3Å; F684-V695 VanDerWaalsContact O-N 3.13Å; T686-V695 HydrophobicContact CG2-CG2 4.13Å; V695-A697 VanDerWaalsContact C-N 3.33Å; V695-A697 PolarHBondContact O-N 3.5Å; V695-P698 HydrophobicContact CB-CB 4.37Å; V695-P698 HydrophobicContact CG1-CB 4.43Å; V695-P698 WeakPolarHBondContact O-CD 3.25Å
696E82.4Confident87.9Confident203 Ų20375.3 Ų75.395%0.94940%0.402SS*.SBendtrans-63.8-34.1-172.5-73.5-172.8160.600113.8
697A83.4Confident88Confident87 Ų8777.9 Ų77.972%0.71941%0.409SS*.SBendtrans-141.372.9179.100000110.5V695V695-A697 VanDerWaalsContact C-N 3.33Å; V695-A697 PolarHBondContact O-N 3.5Å
698P83.6Confident88.1Confident29 Ų2977.6 Ų77.619%0.18841%0.408CS..  trans-69.6144.6-179.930.4-30.5000109.7Y643 F684 V695Y643-P698 HydrophobicContact CE2-CG 4.42Å; F684-P698 HydrophobicContact CD1-CB 3.64Å; F684-P698 HydrophobicContact CD1-CG 3.74Å; F684-P698 HydrophobicContact CE1-CB 4.13Å; F684-P698 HydrophobicContact CE1-CG 4.22Å; F684-P698 HydrophobicContact CG-CB 4.41Å; V695-P698 HydrophobicContact CB-CB 4.37Å; V695-P698 HydrophobicContact CG1-CB 4.43Å; V695-P698 WeakPolarHBondContact O-CD 3.25Å
699Q86.3Confident88.4Confident158 Ų15872.4 Ų72.474%0.73838%0.378SS*.  trans-64.6143171.9-71.1-177.5-1100109.8R701Q699-R701 HydrophobicContact CB-CG 4.38Å; Q699-R701 PolarHBondContact O-N 3.04Å; Q699-R701 VanDerWaalsContact O-N 3.08Å
700N85.5Confident88.7Confident164 Ų16471.1 Ų71.188%0.87737%0.369SS*.  trans-72.4105.3176.2-171.431.9000109.2
701R90.1Very high89.1Confident77 Ų7775.9 Ų75.929%0.29138%0.384SS..  trans-122.7138177.9-61.1-166.767.5-161.4-5.1110L682 F684 Q699 E705L682-R701 HydrophobicContact CD2-CB 4.23Å; L682-R701 VanDerWaalsContact CD2-CZ 3.49Å; F684-R701 HydrophobicContact CE2-CB 4.42Å; F684-R701 HydrophobicContact CZ-CB 4.41Å; F684-R701 WeakPolarHBondContact CZ-O 3.47Å; Q699-R701 HydrophobicContact CB-CG 4.38Å; Q699-R701 PolarHBondContact O-N 3.04Å; Q699-R701 VanDerWaalsContact O-N 3.08Å; R701-E705 IonicContact CZ-OE2 3.39Å; R701-E705 IonicContact NE-OE2 2.86Å; R701-E705 PolarHBondContact NE-OE2 3.43Å; R701-E705 IonicContact NH2-OE2 3Å; R701-E705 PolarHBondContact NH2-OE2 3.05Å
702A89.3Confident89.2Confident42 Ų4275.9 Ų75.935%0.34738%0.382SS..  trans-72.7146.2174.600000109.8E704 E705A702-E704 VanDerWaalsContact CB-OE2 3.31Å; A702-E704 WeakPolarHBondContact CB-OE2 3.31Å; A702-E704 PolarHBondContact O-N 3.31Å; A702-E705 HydrophobicContact CB-CG 4.16Å; A702-E705 PolarHBondContact N-OE1 3.11Å; A702-E705 WeakPolarHBondContact O-CB 3.49Å; A702-E705 PolarHBondContact O-N 3.23Å
703F87.1Confident89.3Confident33 Ų3379 Ų7915%0.14540%0.398CS..G310 helixtrans-68.9-21178.754.5-96.2000111.6R636 F639 V678 L682 E705 S706 Y709R636-F703 HydrophobicContact CB-CE1 4.35Å; R636-F703 HydrophobicContact CB-CZ 4.39Å; R636-F703 HydrophobicContact CG-CE1 4.08Å; F639-F703 HydrophobicContact CD2-CB 4.31Å; F639-F703 AromaticContact CD2-CD1 3.84Å; F639-F703 HydrophobicContact CD2-CD1 3.84Å; F639-F703 HydrophobicContact CD2-CD2 4.27Å; F639-F703 HydrophobicContact CD2-CE1 4.25Å; F639-F703 AromaticContact CD2-CG 3.86Å; F639-F703 HydrophobicContact CD2-CG 3.86Å; F639-F703 HydrophobicContact CE2-CB 3.97Å; F639-F703 HydrophobicContact CE2-CD1 4.18Å; F639-F703 AromaticContact CE2-CD2 3.85Å; F639-F703 HydrophobicContact CE2-CD2 3.85Å; F639-F703 HydrophobicContact CE2-CE2 4.43Å; F639-F703 AromaticContact CE2-CG 3.71Å; F639-F703 HydrophobicContact CE2-CG 3.71Å; F639-F703 HydrophobicContact CG-CD1 4.43Å; F639-F703 HydrophobicContact CZ-CB 4.12Å; F639-F703 HydrophobicContact CZ-CG 4.36Å; V678-F703 HydrophobicContact CG1-CB 4.24Å; L682-F703 HydrophobicContact CD1-CB 4.46Å; F703-E705 PolarHBondContact O-N 3.3Å; F703-S706 VanDerWaalsContact O-CB 3.28Å; F703-S706 WeakPolarHBondContact O-CB 3.48Å; F703-S706 PolarHBondContact O-N 2.8Å; F703-S706 VanDerWaalsContact O-N 3.17Å; F703-Y709 HydrophobicContact CD2-CD1 4.25Å; F703-Y709 HydrophobicContact CD2-CD2 4.16Å; F703-Y709 AromaticContact CD2-CE1 3.83Å; F703-Y709 HydrophobicContact CD2-CE1 3.83Å; F703-Y709 AromaticContact CD2-CE2 3.76Å; F703-Y709 HydrophobicContact CD2-CE2 3.76Å; F703-Y709 HydrophobicContact CD2-CG 4.4Å; F703-Y709 AromaticContact CD2-CZ 3.59Å; F703-Y709 HydrophobicContact CE2-CE1 4.08Å; F703-Y709 HydrophobicContact CE2-CE2 4.22Å; F703-Y709 AromaticContact CE2-CZ 3.71Å; F703-Y709 VanDerWaalsContact O-CB 3.27Å; F703-Y709 WeakPolarHBondContact O-CB 3.49Å
704E89.1Confident89.3Confident89 Ų8975.4 Ų75.442%0.41639%0.385SS..G310 helixtrans-65.9-17.7171-59.287.2163.100112.7A702 S706 Y709 Q710A702-E704 VanDerWaalsContact CB-OE2 3.31Å; A702-E704 WeakPolarHBondContact CB-OE2 3.31Å; A702-E704 PolarHBondContact O-N 3.31Å; E704-S706 VanDerWaalsContact C-N 3.29Å; E704-Y709 HydrophobicContact CG-CE1 4.37Å; E704-Q710 PolarHBondContact O-NE2 3.35Å
705E91.1Very high89.4Confident94 Ų9475 Ų7544%0.43938%0.382SS..G310 helixtrans-81.3-5.8173.7-60.7172-136.200113.6L682 R701 A702 F703L682-E705 HydrophobicContact CD2-CB 4.27Å; R701-E705 IonicContact CZ-OE2 3.39Å; R701-E705 IonicContact NE-OE2 2.86Å; R701-E705 PolarHBondContact NE-OE2 3.43Å; R701-E705 IonicContact NH2-OE2 3Å; R701-E705 PolarHBondContact NH2-OE2 3.05Å; A702-E705 HydrophobicContact CB-CG 4.16Å; A702-E705 PolarHBondContact N-OE1 3.11Å; A702-E705 WeakPolarHBondContact O-CB 3.49Å; A702-E705 PolarHBondContact O-N 3.23Å; F703-E705 PolarHBondContact O-N 3.3Å
706S92.6Very high89.6Confident0 Ų074.1 Ų74.10%038%0.376CS..  trans-79.5126.2178.6159.20000110E681 F703 E704 I708 Y709 Q710E681-S706 WeakPolarHBondContact OE2-CA 3.44Å; E681-S706 VanDerWaalsContact OE2-CB 3.24Å; E681-S706 WeakPolarHBondContact OE2-CB 3.48Å; E681-S706 PolarHBondContact OE2-OG 3.2Å; F703-S706 VanDerWaalsContact O-CB 3.28Å; F703-S706 WeakPolarHBondContact O-CB 3.48Å; F703-S706 PolarHBondContact O-N 2.8Å; F703-S706 VanDerWaalsContact O-N 3.17Å; E704-S706 VanDerWaalsContact C-N 3.29Å; S706-I708 PolarHBondContact O-N 3.38Å; S706-I708 PolarHBondContact OG-N 3.41Å; S706-Y709 WeakPolarHBondContact O-CB 3.5Å; S706-Y709 PolarHBondContact O-N 2.76Å; S706-Y709 VanDerWaalsContact O-N 3.14Å; S706-Y709 PolarHBondContact OG-N 3.12Å; S706-Q710 WeakPolarHBondContact O-CG 3.43Å; S706-Q710 PolarHBondContact O-N 3.07Å
707E91.7Very high90.2Very high128 Ų12867.6 Ų67.660%0.59835%0.347SS*.Hα-helixtrans-65.6-34.8173.8-59.7-178.9179.400110.2E681 Y709 Q710 K711E681-E707 VanDerWaalsContact OE1-CB 3.24Å; E681-E707 WeakPolarHBondContact OE1-CB 3.3Å; E681-E707 PolarHBondContact OE1-N 2.93Å; E681-E707 PolarHBondContact OE2-N 3.42Å; E707-Y709 VanDerWaalsContact C-N 3.26Å; E707-Y709 PolarHBondContact O-N 3.42Å; E707-Q710 PolarHBondContact O-N 2.86Å; E707-K711 VanDerWaalsContact O-CB 3.31Å; E707-K711 WeakPolarHBondContact O-CB 3.45Å; E707-K711 VanDerWaalsContact O-CG 3.26Å; E707-K711 WeakPolarHBondContact O-CG 3.45Å; E707-K711 PolarHBondContact O-N 2.83Å
708I91.6Very high90.8Very high60 Ų6063.4 Ų63.431%0.30831%0.313SS..Hα-helixtrans-59.4-40.9173.3-63.8174.2000110.5F674 H677 V678 E681 S706 R712F674-I708 HydrophobicContact CD2-CG2 3.96Å; F674-I708 HydrophobicContact CE2-CG2 3.6Å; F674-I708 WeakPolarHBondContact CE2-O 3.33Å; H677-I708 HydrophobicContact CB-CD1 4.04Å; H677-I708 HydrophobicContact CB-CG2 4.48Å; V678-I708 HydrophobicContact CG2-CB 4.31Å; V678-I708 HydrophobicContact CG2-CG2 3.93Å; E681-I708 HydrophobicContact CB-CD1 3.93Å; E681-I708 HydrophobicContact CG-CD1 4.43Å; E681-I708 VanDerWaalsContact OE2-CB 3.3Å; E681-I708 WeakPolarHBondContact OE2-CB 3.5Å; E681-I708 VanDerWaalsContact OE2-CG1 3.26Å; E681-I708 WeakPolarHBondContact OE2-CG1 3.46Å; E681-I708 PolarHBondContact OE2-N 3.49Å; E681-I708 VanDerWaalsContact OE2-N 3.12Å; S706-I708 PolarHBondContact O-N 3.38Å; S706-I708 PolarHBondContact OG-N 3.41Å; I708-R712 PolarHBondContact O-N 3.29Å; I708-R712 VanDerWaalsContact O-N 3.17Å
709Y93Very high91.3Very high21 Ų2162.1 Ų62.18%0.08230%0.304CS..Hα-helixtrans-66.7-48.4176.8-171-95.8000112.3L633 F639 F674 F703 E704 S706 E707 R712 I713L633-Y709 HydrophobicContact CD2-CE2 4.06Å; F639-Y709 HydrophobicContact CE2-CD2 4.32Å; F639-Y709 AromaticContact CE2-CE2 3.97Å; F639-Y709 HydrophobicContact CE2-CE2 3.97Å; F639-Y709 HydrophobicContact CZ-CD2 4.19Å; F639-Y709 HydrophobicContact CZ-CE2 4.27Å; F674-Y709 HydrophobicContact CE1-CD2 4.06Å; F674-Y709 AromaticContact CZ-CD2 3.9Å; F674-Y709 HydrophobicContact CZ-CD2 3.9Å; F703-Y709 HydrophobicContact CD2-CD1 4.25Å; F703-Y709 HydrophobicContact CD2-CD2 4.16Å; F703-Y709 AromaticContact CD2-CE1 3.83Å; F703-Y709 HydrophobicContact CD2-CE1 3.83Å; F703-Y709 AromaticContact CD2-CE2 3.76Å; F703-Y709 HydrophobicContact CD2-CE2 3.76Å; F703-Y709 HydrophobicContact CD2-CG 4.4Å; F703-Y709 AromaticContact CD2-CZ 3.59Å; F703-Y709 HydrophobicContact CE2-CE1 4.08Å; F703-Y709 HydrophobicContact CE2-CE2 4.22Å; F703-Y709 AromaticContact CE2-CZ 3.71Å; F703-Y709 VanDerWaalsContact O-CB 3.27Å; F703-Y709 WeakPolarHBondContact O-CB 3.49Å; E704-Y709 HydrophobicContact CG-CE1 4.37Å; S706-Y709 WeakPolarHBondContact O-CB 3.5Å; S706-Y709 PolarHBondContact O-N 2.76Å; S706-Y709 VanDerWaalsContact O-N 3.14Å; S706-Y709 PolarHBondContact OG-N 3.12Å; E707-Y709 VanDerWaalsContact C-N 3.26Å; E707-Y709 PolarHBondContact O-N 3.42Å; Y709-R712 PolarHBondContact O-N 3.02Å; Y709-R712 VanDerWaalsContact O-N 3.16Å; Y709-I713 HydrophobicContact CD1-CD1 4Å; Y709-I713 HydrophobicContact CD1-CG1 4.48Å; Y709-I713 HydrophobicContact CE1-CD1 3.71Å; Y709-I713 HydrophobicContact CE1-CG1 4.28Å; Y709-I713 PolarHBondContact O-N 3.14Å; Y709-I713 VanDerWaalsContact O-N 3.16Å
710Q92.2Very high91.7Very high90 Ų9058.9 Ų58.942%0.42129%0.289SS..Hα-helixtrans-62.1-43.4178-66-60-28.800112.4E704 S706 E707 R712 I713 A714E704-Q710 PolarHBondContact O-NE2 3.35Å; S706-Q710 WeakPolarHBondContact O-CG 3.43Å; S706-Q710 PolarHBondContact O-N 3.07Å; E707-Q710 PolarHBondContact O-N 2.86Å; Q710-R712 VanDerWaalsContact C-N 3.25Å; Q710-R712 PolarHBondContact O-N 3.46Å; Q710-I713 WeakPolarHBondContact O-CB 3.49Å; Q710-I713 PolarHBondContact O-N 3.1Å; Q710-I713 VanDerWaalsContact O-N 3.09Å; Q710-A714 PolarHBondContact O-N 3.08Å; Q710-A714 VanDerWaalsContact O-N 3.11Å
711K90.3Very high92.2Very high119 Ų11952.7 Ų52.752%0.51726%0.255SS..Hα-helixtrans-58.3-37.5174.2-76.2178.5-179.2-179.50112.1E707 A714 R715E707-K711 VanDerWaalsContact O-CB 3.31Å; E707-K711 WeakPolarHBondContact O-CB 3.45Å; E707-K711 VanDerWaalsContact O-CG 3.26Å; E707-K711 WeakPolarHBondContact O-CG 3.45Å; E707-K711 PolarHBondContact O-N 2.83Å; K711-A714 PolarHBondContact O-N 3.21Å; K711-R715 WeakPolarHBondContact O-CB 3.47Å; K711-R715 PolarHBondContact O-N 3.06Å
712R91.4Very high92.5Very high25 Ų2549 Ų499%0.09424%0.241CC..Hα-helixtrans-69.1-33.9176.3-170.8165.4-178.1104.3-2.7112.8A628 G632 L633 F674 I708 Y709 Q710 R715 I716A628-R712 HydrophobicContact CB-CG 4.46Å; G632-R712 PolarHBondContact O-NE 2.9Å; G632-R712 PolarHBondContact O-NH2 2.83Å; L633-R712 HydrophobicContact CD2-CB 4.4Å; L633-R712 HydrophobicContact CD2-CG 4.12Å; F674-R712 HydrophobicContact CD2-CB 4.47Å; F674-R712 VanDerWaalsContact CD2-CD 3.47Å; F674-R712 HydrophobicContact CE2-CB 3.54Å; F674-R712 HydrophobicContact CE2-CG 4Å; F674-R712 HydrophobicContact CZ-CB 3.67Å; F674-R712 HydrophobicContact CZ-CG 4.06Å; I708-R712 PolarHBondContact O-N 3.29Å; I708-R712 VanDerWaalsContact O-N 3.17Å; Y709-R712 PolarHBondContact O-N 3.02Å; Y709-R712 VanDerWaalsContact O-N 3.16Å; Q710-R712 VanDerWaalsContact C-N 3.25Å; Q710-R712 PolarHBondContact O-N 3.46Å; R712-R715 PolarHBondContact O-N 2.87Å; R712-I716 HydrophobicContact CG-CD1 4.09Å; R712-I716 HydrophobicContact CG-CG1 4.44Å; R712-I716 WeakPolarHBondContact O-CB 3.43Å; R712-I716 VanDerWaalsContact O-CG1 3.22Å; R712-I716 WeakPolarHBondContact O-CG1 3.28Å; R712-I716 PolarHBondContact O-N 2.87Å
713I92.3Very high92.7Very high66 Ų6649.8 Ų49.834%0.33824%0.239SC..Hα-helixtrans-61.1-51.9173-63174.6000109.8L633 Y709 Q710 R715 I716 D717L633-I713 HydrophobicContact CD1-CG1 3.87Å; L633-I713 HydrophobicContact CD2-CG1 4.03Å; Y709-I713 HydrophobicContact CD1-CD1 4Å; Y709-I713 HydrophobicContact CD1-CG1 4.48Å; Y709-I713 HydrophobicContact CE1-CD1 3.71Å; Y709-I713 HydrophobicContact CE1-CG1 4.28Å; Y709-I713 PolarHBondContact O-N 3.14Å; Y709-I713 VanDerWaalsContact O-N 3.16Å; Q710-I713 WeakPolarHBondContact O-CB 3.49Å; Q710-I713 PolarHBondContact O-N 3.1Å; Q710-I713 VanDerWaalsContact O-N 3.09Å; I713-R715 VanDerWaalsContact C-N 3.29Å; I713-R715 PolarHBondContact O-N 3.39Å; I713-I716 WeakPolarHBondContact O-CB 3.29Å; I713-I716 PolarHBondContact O-N 3.2Å; I713-I716 VanDerWaalsContact O-N 3.15Å; I713-D717 PolarHBondContact O-N 3.17Å; I713-D717 VanDerWaalsContact O-N 3.12Å
714A92.8Very high92.9Very high26 Ų2653.5 Ų53.522%0.21526%0.258CS..Hα-helixtrans-59.2-42.3179.500000111.7D601 Q602 Q710 K711 I716 D717 S718D601-A714 CarbonylContact O-C 3.05Å; D601-A714 WeakPolarHBondContact O-CB 3.45Å; Q602-A714 HydrophobicContact CG-CB 4.07Å; Q710-A714 PolarHBondContact O-N 3.08Å; Q710-A714 VanDerWaalsContact O-N 3.11Å; K711-A714 PolarHBondContact O-N 3.21Å; A714-I716 VanDerWaalsContact C-N 3.34Å; A714-I716 PolarHBondContact O-N 3.29Å; A714-D717 PolarHBondContact O-N 2.98Å; A714-S718 WeakPolarHBondContact O-CB 3.26Å; A714-S718 PolarHBondContact O-N 3.14Å
715R92.4Very high93.1Very high19 Ų1951.9 Ų51.97%0.07225%0.252CS..Hα-helixtrans-63.9-37.9177.1-175.5177.2176.3162.54.6112.9Q564 D601 S624 D626 A628 K711 R712 I713 S718 E719Q564-R715 VanDerWaalsContact NE2-CZ 3.29Å; D601-R715 VanDerWaalsContact O-CA 3.28Å; D601-R715 WeakPolarHBondContact O-CA 3.37Å; D601-R715 PolarHBondContact O-N 3.16Å; D601-R715 WeakPolarHBondContact OD1-CD 3.45Å; S624-R715 PolarHBondContact OG-NH2 2.91Å; S624-R715 VanDerWaalsContact OG-NH2 3.1Å; D626-R715 IonicContact OD2-CZ 3.18Å; D626-R715 VanDerWaalsContact OD2-CZ 3.25Å; D626-R715 IonicContact OD2-NH1 3.96Å; D626-R715 PolarHBondContact OD2-NH1 3.35Å; D626-R715 IonicContact OD2-NH2 2.67Å; D626-R715 PolarHBondContact OD2-NH2 3.13Å; A628-R715 HydrophobicContact CB-CG 4.05Å; K711-R715 WeakPolarHBondContact O-CB 3.47Å; K711-R715 PolarHBondContact O-N 3.06Å; R712-R715 PolarHBondContact O-N 2.87Å; I713-R715 VanDerWaalsContact C-N 3.29Å; I713-R715 PolarHBondContact O-N 3.39Å; R715-S718 PolarHBondContact O-N 2.77Å; R715-E719 HydrophobicContact CG-CG 4.31Å; R715-E719 IonicContact CZ-OE1 3.71Å; R715-E719 IonicContact NE-OE1 3.7Å; R715-E719 PolarHBondContact NE-OE1 2.83Å; R715-E719 IonicContact NH2-OE1 3.25Å; R715-E719 WeakPolarHBondContact O-CB 3.26Å; R715-E719 WeakPolarHBondContact O-CG 3.31Å; R715-E719 PolarHBondContact O-N 3.31Å
716I93.7Very high93.1Very high26 Ų2651.6 Ų51.613%0.13325%0.253CS..Hα-helixtrans-62-45.6175.5-75.3167.2000110.4A628 Y629 L633 R712 I713 A714 S718 E719 E720A628-I716 HydrophobicContact CB-CG1 3.89Å; A628-I716 WeakPolarHBondContact O-CG1 3.27Å; Y629-I716 HydrophobicContact CD2-CG2 4.18Å; L633-I716 HydrophobicContact CD1-CD1 4.48Å; L633-I716 HydrophobicContact CD2-CD1 3.73Å; L633-I716 HydrophobicContact CG-CD1 3.62Å; R712-I716 HydrophobicContact CG-CD1 4.09Å; R712-I716 HydrophobicContact CG-CG1 4.44Å; R712-I716 WeakPolarHBondContact O-CB 3.43Å; R712-I716 VanDerWaalsContact O-CG1 3.22Å; R712-I716 WeakPolarHBondContact O-CG1 3.28Å; R712-I716 PolarHBondContact O-N 2.87Å; I713-I716 WeakPolarHBondContact O-CB 3.29Å; I713-I716 PolarHBondContact O-N 3.2Å; I713-I716 VanDerWaalsContact O-N 3.15Å; A714-I716 VanDerWaalsContact C-N 3.34Å; A714-I716 PolarHBondContact O-N 3.29Å; I716-S718 VanDerWaalsContact C-N 3.34Å; I716-E719 PolarHBondContact O-N 3.31Å; I716-E720 VanDerWaalsContact O-CB 3.28Å; I716-E720 WeakPolarHBondContact O-CB 3.49Å; I716-E720 PolarHBondContact O-N 3.26Å
717D94.6Very high93Very high66 Ų6652.8 Ų52.835%0.35326%0.259SS..Hα-helixtrans-63.5-40.1175.9172.174.9000112K603 I713 A714 F721K603-D717 WeakPolarHBondContact CE-OD2 3.46Å; K603-D717 IonicContact NZ-OD1 2.77Å; K603-D717 PolarHBondContact NZ-OD1 3.35Å; K603-D717 IonicContact NZ-OD2 3.89Å; K603-D717 PolarHBondContact NZ-OD2 2.8Å; I713-D717 PolarHBondContact O-N 3.17Å; I713-D717 VanDerWaalsContact O-N 3.12Å; A714-D717 PolarHBondContact O-N 2.98Å; D717-F721 WeakPolarHBondContact O-CB 3.36Å; D717-F721 PolarHBondContact O-N 3.36Å
718S95.3Very high92.7Very high0 Ų048.8 Ų48.80%024%0.241CC..Hα-helixtrans-63.2-48.6176.3-1690000112.2C599 P600 K603 A714 R715 I716 F721 L722C599-S718 PolarHBondContact SG-OG 2.94Å; P600-S718 VanDerWaalsContact O-CB 3.27Å; P600-S718 WeakPolarHBondContact O-CB 3.24Å; P600-S718 PolarHBondContact O-OG 3.4Å; K603-S718 PolarHBondContact N-OG 3.44Å; A714-S718 WeakPolarHBondContact O-CB 3.26Å; A714-S718 PolarHBondContact O-N 3.14Å; R715-S718 PolarHBondContact O-N 2.77Å; I716-S718 VanDerWaalsContact C-N 3.34Å; S718-F721 PolarHBondContact O-N 3.27Å; S718-L722 WeakPolarHBondContact O-CB 3.44Å; S718-L722 WeakPolarHBondContact O-CG 3.31Å; S718-L722 PolarHBondContact O-N 3.04Å
719E95Very high92.7Very high2 Ų248.4 Ų48.41%0.00924%0.241CC..Hα-helixtrans-65.3-42.8176.9-74.9180-16700112C599 S624 E627 A628 Y629 R715 I716 F721 L723C599-E719 HydrophobicContact CB-CG 4.46Å; S624-E719 VanDerWaalsContact OG-CD 3.29Å; S624-E719 PolarHBondContact OG-OE1 3.03Å; E627-E719 VanDerWaalsContact C-OE2 3.26Å; A628-E719 WeakPolarHBondContact CA-OE2 3.49Å; A628-E719 PolarHBondContact N-OE1 3.18Å; A628-E719 PolarHBondContact N-OE2 3.11Å; Y629-E719 PolarHBondContact N-OE2 2.98Å; R715-E719 HydrophobicContact CG-CG 4.31Å; R715-E719 IonicContact CZ-OE1 3.71Å; R715-E719 IonicContact NE-OE1 3.7Å; R715-E719 PolarHBondContact NE-OE1 2.83Å; R715-E719 IonicContact NH2-OE1 3.25Å; R715-E719 WeakPolarHBondContact O-CB 3.26Å; R715-E719 WeakPolarHBondContact O-CG 3.31Å; R715-E719 PolarHBondContact O-N 3.31Å; I716-E719 PolarHBondContact O-N 3.31Å; E719-F721 VanDerWaalsContact C-N 3.29Å; E719-F721 PolarHBondContact O-N 3.44Å; E719-L723 HydrophobicContact CB-CD1 4.02Å; E719-L723 HydrophobicContact CG-CD1 4Å; E719-L723 WeakPolarHBondContact O-CA 3.26Å; E719-L723 WeakPolarHBondContact O-CB 3.48Å; E719-L723 PolarHBondContact O-N 3.43Å
720E94.6Very high92.7Very high89 Ų8947.4 Ų47.442%0.41624%0.237SC..Iπ-helixtrans-55.8-48.1174.4-177.7167.2-149.500110.3Y629 I716 M724Y629-E720 HydrophobicContact CD2-CB 3.6Å; Y629-E720 HydrophobicContact CD2-CG 4.1Å; Y629-E720 HydrophobicContact CE2-CB 3.64Å; Y629-E720 HydrophobicContact CE2-CG 3.57Å; Y629-E720 HydrophobicContact CG-CB 4.43Å; I716-E720 VanDerWaalsContact O-CB 3.28Å; I716-E720 WeakPolarHBondContact O-CB 3.49Å; I716-E720 PolarHBondContact O-N 3.26Å; E720-M724 WeakPolarHBondContact O-CB 3.47Å; E720-M724 PolarHBondContact O-N 3.45Å
721F95.8Very high92.7Very high35 Ų3543.3 Ų43.315%0.15422%0.218CC..Iπ-helixtrans-71.4-51.8-176.7-173.2-92.9000113.1K603 D717 S718 E719 N725 T729 I730 W733K603-F721 HydrophobicContact CD-CB 3.72Å; K603-F721 HydrophobicContact CD-CD1 3.98Å; K603-F721 HydrophobicContact CD-CG 3.82Å; D717-F721 WeakPolarHBondContact O-CB 3.36Å; D717-F721 PolarHBondContact O-N 3.36Å; S718-F721 PolarHBondContact O-N 3.27Å; E719-F721 VanDerWaalsContact C-N 3.29Å; E719-F721 PolarHBondContact O-N 3.44Å; F721-N725 WeakPolarHBondContact CA-ND2 3.22Å; F721-N725 VanDerWaalsContact CD2-ND2 3.3Å; F721-N725 WeakPolarHBondContact CD2-ND2 3.32Å; F721-N725 WeakPolarHBondContact O-CB 3.13Å; F721-N725 PolarHBondContact O-ND2 3.12Å; F721-T729 HydrophobicContact CE2-CG2 4.35Å; F721-T729 HydrophobicContact CZ-CG2 4.34Å; F721-I730 HydrophobicContact CE1-CG1 4.42Å; F721-W733 HydrophobicContact CD1-CD2 4.49Å; F721-W733 HydrophobicContact CD1-CE3 4.47Å; F721-W733 HydrophobicContact CE1-CB 4.1Å; F721-W733 AromaticContact CE1-CD2 3.5Å; F721-W733 HydrophobicContact CE1-CD2 3.5Å; F721-W733 AromaticContact CE1-CE3 3.59Å; F721-W733 HydrophobicContact CE1-CE3 3.59Å; F721-W733 AromaticContact CE1-CG 3.73Å; F721-W733 HydrophobicContact CE1-CG 3.73Å; F721-W733 HydrophobicContact CE1-CZ3 4.24Å; F721-W733 HydrophobicContact CZ-CB 3.69Å; F721-W733 AromaticContact CZ-CD2 3.9Å; F721-W733 HydrophobicContact CZ-CD2 3.9Å; F721-W733 HydrophobicContact CZ-CE3 4.34Å; F721-W733 AromaticContact CZ-CG 3.57Å; F721-W733 HydrophobicContact CZ-CG 3.57Å
722L96.1Very high92.6Very high0 Ų041.5 Ų41.50%021%0.214CC..Iπ-helixtrans-81.1-26.6-170.5-66173.8000113.2R544 P600 K603 L606 L622 S718 I730 W733R544-L722 WeakPolarHBondContact CD-O 3.46Å; R544-L722 PolarHBondContact NH1-O 3.02Å; P600-L722 HydrophobicContact CG-CD1 4.08Å; K603-L722 HydrophobicContact CB-CD1 4.09Å; K603-L722 HydrophobicContact CB-CG 4.3Å; L606-L722 HydrophobicContact CD2-CD1 4.34Å; L606-L722 HydrophobicContact CD2-CD2 4.21Å; L622-L722 HydrophobicContact CD1-CB 3.85Å; L622-L722 WeakPolarHBondContact CD1-O 3.3Å; L622-L722 HydrophobicContact CD2-CB 4.34Å; L622-L722 HydrophobicContact CD2-CD1 4.05Å; S718-L722 WeakPolarHBondContact O-CB 3.44Å; S718-L722 WeakPolarHBondContact O-CG 3.31Å; S718-L722 PolarHBondContact O-N 3.04Å; L722-I730 HydrophobicContact CD2-CG2 4.16Å; L722-I730 WeakPolarHBondContact O-CD1 3.34Å; L722-W733 HydrophobicContact CD2-CE3 4.44Å; L722-W733 HydrophobicContact CD2-CH2 4.33Å; L722-W733 HydrophobicContact CD2-CZ3 3.79Å
723L93.8Very high92.7Very high58 Ų5842.2 Ų42.230%0.30422%0.217SC..Iπ-helixtrans-99.5-32.5-178.6-55.2177.3000113.5L622 E719L622-L723 HydrophobicContact CB-CD2 3.6Å; L622-L723 HydrophobicContact CD1-CD2 4.45Å; L622-L723 VanDerWaalsContact O-CD2 3.32Å; L622-L723 WeakPolarHBondContact O-CD2 3.44Å; E719-L723 HydrophobicContact CB-CD1 4.02Å; E719-L723 HydrophobicContact CG-CD1 4Å; E719-L723 WeakPolarHBondContact O-CA 3.26Å; E719-L723 WeakPolarHBondContact O-CB 3.48Å; E719-L723 PolarHBondContact O-N 3.43Å
724M91.3Very high92.7Very high111 Ų11139.2 Ų39.255%0.54720%0.201SC..Iπ-helixtrans-97.1-25.6-172.2-51.1-60.4-58.500113.9Y629 E720Y629-M724 HydrophobicContact CD1-CG 4.08Å; Y629-M724 HydrophobicContact CD1-SD 4.15Å; Y629-M724 HydrophobicContact CE1-CE 4.18Å; Y629-M724 HydrophobicContact CE1-CG 3.74Å; Y629-M724 HydrophobicContact CE1-SD 3.92Å; E720-M724 WeakPolarHBondContact O-CB 3.47Å; E720-M724 PolarHBondContact O-N 3.45Å
725N93.5Very high92.3Very high55 Ų5540.9 Ų40.929%0.29420%0.204SC..SBendtrans-73.7153.3174.6-71.3-57.1000111.6R544 F721 T729 I730R544-N725 PolarHBondContact NH1-O 3.34Å; F721-N725 WeakPolarHBondContact CA-ND2 3.22Å; F721-N725 VanDerWaalsContact CD2-ND2 3.3Å; F721-N725 WeakPolarHBondContact CD2-ND2 3.32Å; F721-N725 WeakPolarHBondContact O-CB 3.13Å; F721-N725 PolarHBondContact O-ND2 3.12Å; N725-T729 HydrophobicContact CB-CG2 4.04Å; N725-I730 HydrophobicContact CB-CG1 4.42Å
726D90.1Very high91.6Very high87 Ų8744.1 Ų44.147%0.46524%0.243SC..  trans-61.3154.4168.968.393.4000110.6Q728 T729 I730D726-Q728 PolarHBondContact O-N 2.48Å; D726-Q728 WeakPolarHBondContact OD1-CA 3.33Å; D726-Q728 WeakPolarHBondContact OD1-CB 3.33Å; D726-Q728 PolarHBondContact OD1-N 2.91Å; D726-T729 PolarHBondContact O-N 3.36Å; D726-T729 PolarHBondContact OD1-N 2.82Å; D726-T729 PolarHBondContact OD1-OG1 2.8Å; D726-T729 PolarHBondContact OD2-OG1 2.85Å; D726-I730 PolarHBondContact O-N 3Å
727I90.5Very high91.5Very high25 Ų2545 Ų4513%0.12825%0.249CC..Hα-helixtrans-59.8-34.7-177.4-173.963.7000111.7V540 D542 L620 T729 I730 R731V540-I727 HydrophobicContact CG1-CD1 4.42Å; D542-I727 HydrophobicContact CB-CB 4.29Å; D542-I727 HydrophobicContact CB-CD1 3.78Å; D542-I727 HydrophobicContact CB-CG1 3.84Å; L620-I727 HydrophobicContact CD1-CD1 4.09Å; I727-T729 VanDerWaalsContact C-N 3.34Å; I727-T729 PolarHBondContact O-N 2.93Å; I727-I730 WeakPolarHBondContact O-CB 3.39Å; I727-I730 PolarHBondContact O-N 3.16Å; I727-R731 HydrophobicContact CD1-CG 4.47Å; I727-R731 HydrophobicContact CG1-CG 4.07Å; I727-R731 VanDerWaalsContact O-CG 3.29Å; I727-R731 WeakPolarHBondContact O-CG 3.35Å; I727-R731 PolarHBondContact O-N 3.17Å
728Q86.7Confident91.4Very high44 Ų4443.9 Ų43.921%0.20624%0.243CC..Hα-helixtrans-63.9-40.8-177-167.164.518.300111.7P507 D726 I730 R731 N732P507-Q728 VanDerWaalsContact CB-NE2 3.26Å; D726-Q728 PolarHBondContact O-N 2.48Å; D726-Q728 WeakPolarHBondContact OD1-CA 3.33Å; D726-Q728 WeakPolarHBondContact OD1-CB 3.33Å; D726-Q728 PolarHBondContact OD1-N 2.91Å; Q728-I730 VanDerWaalsContact C-N 3.29Å; Q728-I730 PolarHBondContact O-N 3Å; Q728-R731 PolarHBondContact O-N 2.88Å; Q728-N732 WeakPolarHBondContact O-CB 3.29Å; Q728-N732 VanDerWaalsContact O-CG 3.23Å; Q728-N732 PolarHBondContact O-N 3.13Å
729T91.4Very high91.1Very high52 Ų5246.3 Ų46.332%0.31926%0.257SS..Hα-helixtrans-57.9-41.8172.7-65.20000111.8F721 N725 D726 I727 W733F721-T729 HydrophobicContact CE2-CG2 4.35Å; F721-T729 HydrophobicContact CZ-CG2 4.34Å; N725-T729 HydrophobicContact CB-CG2 4.04Å; D726-T729 PolarHBondContact O-N 3.36Å; D726-T729 PolarHBondContact OD1-N 2.82Å; D726-T729 PolarHBondContact OD1-OG1 2.8Å; D726-T729 PolarHBondContact OD2-OG1 2.85Å; I727-T729 VanDerWaalsContact C-N 3.34Å; I727-T729 PolarHBondContact O-N 2.93Å; T729-W733 WeakPolarHBondContact O-CB 3.48Å; T729-W733 PolarHBondContact O-N 2.84Å; T729-W733 VanDerWaalsContact O-N 3.07Å
730I93.9Very high90.9Very high0 Ų048.9 Ų48.90%027%0.271CS..Hα-helixtrans-70.2-41.7178.7-58.5170.2000111L620 F721 L722 N725 D726 I727 Q728 N732 W733 L734L620-I730 HydrophobicContact CD1-CG2 3.68Å; F721-I730 HydrophobicContact CE1-CG1 4.42Å; L722-I730 HydrophobicContact CD2-CG2 4.16Å; L722-I730 WeakPolarHBondContact O-CD1 3.34Å; N725-I730 HydrophobicContact CB-CG1 4.42Å; D726-I730 PolarHBondContact O-N 3Å; I727-I730 WeakPolarHBondContact O-CB 3.39Å; I727-I730 PolarHBondContact O-N 3.16Å; Q728-I730 VanDerWaalsContact C-N 3.29Å; Q728-I730 PolarHBondContact O-N 3Å; I730-N732 PolarHBondContact O-N 3.01Å; I730-W733 HydrophobicContact CG2-CE3 4.37Å; I730-W733 PolarHBondContact O-N 2.85Å; I730-L734 HydrophobicContact CG2-CD1 4.16Å; I730-L734 HydrophobicContact CG2-CG 4.49Å; I730-L734 PolarHBondContact O-N 3.03Å
731R91.4Very high90.7Very high5 Ų546.4 Ų46.42%0.01926%0.262CS..Hα-helixtrans-56.5-50.3175.4-68.3-171.2174.4134.7-4.7111.1Q505 P507 V540 I727 Q728 W733 L734 K735Q505-R731 PolarHBondContact O-NH1 3.45Å; P507-R731 HydrophobicContact CG-CB 3.71Å; V540-R731 HydrophobicContact CB-CG 4.01Å; V540-R731 HydrophobicContact CG1-CG 4.34Å; V540-R731 PolarHBondContact O-NE 3.36Å; V540-R731 PolarHBondContact O-NH2 2.61Å; I727-R731 HydrophobicContact CD1-CG 4.47Å; I727-R731 HydrophobicContact CG1-CG 4.07Å; I727-R731 VanDerWaalsContact O-CG 3.29Å; I727-R731 WeakPolarHBondContact O-CG 3.35Å; I727-R731 PolarHBondContact O-N 3.17Å; Q728-R731 PolarHBondContact O-N 2.88Å; R731-W733 VanDerWaalsContact C-N 3.31Å; R731-W733 PolarHBondContact O-N 3.34Å; R731-L734 PolarHBondContact O-N 2.81Å; R731-K735 WeakPolarHBondContact O-CB 3.47Å; R731-K735 WeakPolarHBondContact O-CG 3.24Å; R731-K735 PolarHBondContact O-N 3.08Å
732N89Confident90.3Very high81 Ų8147.2 Ų47.243%0.43327%0.269SS..Hα-helixtrans-63-38.4179.3-67.7-9.9000111.7Q728 I730 G736Q728-N732 WeakPolarHBondContact O-CB 3.29Å; Q728-N732 VanDerWaalsContact O-CG 3.23Å; Q728-N732 PolarHBondContact O-N 3.13Å; I730-N732 PolarHBondContact O-N 3.01Å; N732-G736 PolarHBondContact O-N 3Å
733W93Very high89.9Confident40 Ų4050.6 Ų50.615%0.15229%0.288CS..Hα-helixtrans-70.8-33.7178166.679.8000114K603 L606 K607 F721 L722 T729 I730 R731K603-W733 HydrophobicContact CB-CH2 4.17Å; K603-W733 HydrophobicContact CB-CZ2 4.19Å; K603-W733 HydrophobicContact CG-CZ2 4.17Å; K603-W733 WeakPolarHBondContact O-CH2 3.48Å; L606-W733 HydrophobicContact CB-CH2 4.39Å; L606-W733 HydrophobicContact CD2-CZ3 4.42Å; K607-W733 HydrophobicContact CB-CH2 3.8Å; K607-W733 HydrophobicContact CB-CZ2 3.61Å; K607-W733 HydrophobicContact CD-CZ2 4.06Å; K607-W733 WeakPolarHBondContact CE-O 3.37Å; K607-W733 HydrophobicContact CG-CZ2 4.43Å; K607-W733 PolarHBondContact NZ-O 3.22Å; F721-W733 HydrophobicContact CD1-CD2 4.49Å; F721-W733 HydrophobicContact CD1-CE3 4.47Å; F721-W733 HydrophobicContact CE1-CB 4.1Å; F721-W733 AromaticContact CE1-CD2 3.5Å; F721-W733 HydrophobicContact CE1-CD2 3.5Å; F721-W733 AromaticContact CE1-CE3 3.59Å; F721-W733 HydrophobicContact CE1-CE3 3.59Å; F721-W733 AromaticContact CE1-CG 3.73Å; F721-W733 HydrophobicContact CE1-CG 3.73Å; F721-W733 HydrophobicContact CE1-CZ3 4.24Å; F721-W733 HydrophobicContact CZ-CB 3.69Å; F721-W733 AromaticContact CZ-CD2 3.9Å; F721-W733 HydrophobicContact CZ-CD2 3.9Å; F721-W733 HydrophobicContact CZ-CE3 4.34Å; F721-W733 AromaticContact CZ-CG 3.57Å; F721-W733 HydrophobicContact CZ-CG 3.57Å; L722-W733 HydrophobicContact CD2-CE3 4.44Å; L722-W733 HydrophobicContact CD2-CH2 4.33Å; L722-W733 HydrophobicContact CD2-CZ3 3.79Å; T729-W733 WeakPolarHBondContact O-CB 3.48Å; T729-W733 PolarHBondContact O-N 2.84Å; T729-W733 VanDerWaalsContact O-N 3.07Å; I730-W733 HydrophobicContact CG2-CE3 4.37Å; I730-W733 PolarHBondContact O-N 2.85Å; R731-W733 VanDerWaalsContact C-N 3.31Å; R731-W733 PolarHBondContact O-N 3.34Å
734L91.7Very high89.6Confident2 Ų250 Ų501%0.0129%0.287CS..Hα-helixtrans-74.5-34.7175-78.3174.6000112.4V540 L606 K607 A610 L620 I730 R731V540-L734 HydrophobicContact CG1-CD1 3.97Å; V540-L734 HydrophobicContact CG2-CB 4.48Å; V540-L734 HydrophobicContact CG2-CD1 3.92Å; L606-L734 HydrophobicContact CD2-CD2 4.42Å; L606-L734 HydrophobicContact CG-CD2 4.06Å; K607-L734 HydrophobicContact CB-CD2 4.49Å; A610-L734 HydrophobicContact CB-CD2 4.06Å; L620-L734 HydrophobicContact CD1-CD1 4.44Å; I730-L734 HydrophobicContact CG2-CD1 4.16Å; I730-L734 HydrophobicContact CG2-CG 4.49Å; I730-L734 PolarHBondContact O-N 3.03Å; R731-L734 PolarHBondContact O-N 2.81Å
735K84.9Confident89.5Confident61 Ų6144.9 Ų44.927%0.26527%0.266SS..Hα-helixtrans-84.2-33.9-177.7-73.5-174.2168.4-163.10114.7P507 D508 L538 R731P507-K735 HydrophobicContact CG-CD 4.2Å; D508-K735 IonicContact OD2-NZ 2.99Å; D508-K735 PolarHBondContact OD2-NZ 3Å; L538-K735 WeakPolarHBondContact O-CE 3.31Å; L538-K735 PolarHBondContact O-NZ 3.35Å; R731-K735 WeakPolarHBondContact O-CB 3.47Å; R731-K735 WeakPolarHBondContact O-CG 3.24Å; R731-K735 PolarHBondContact O-N 3.08Å
736G77.9Confident89.1Confident87 Ų8744 Ų4490%0.89726%0.263SS*.  trans-89.8018000000112K607 N732K607-G736 VanDerWaalsContact CE-OXT 3.29Å; K607-G736 WeakPolarHBondContact CE-OXT 3.47Å; K607-G736 PolarHBondContact NZ-OXT 2.86Å; N732-G736 PolarHBondContact O-N 3Å

Retrieved 736 of 736 residues in 259.3 ms (Link to these results)

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