A0A093I6X6_STRCA Loading...

N-acetylaspartylglutamate synthase

AlphaFold DB , UniProt , Accession A0A093I6X6, Species STRCA (Struthio camelus australis), Gene n/a, Length 386 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
1M36.1Very low73.2Confident244 Ų24473.8 Ų73.8100%1.20245%0.452SS*.  0111.70-69.5163.1174.500107S3M1-S3 PolarHBondContact O-N 3.37Å
2C40.5Very low75.2Confident130 Ų13067.7 Ų67.788%0.87841%0.414SS*.  trans-68.2123.9164.2-75.40000107S4C2-S4 PolarHBondContact O-N 3.24Å
3S41.4Very low76.7Confident107 Ų10762.8 Ų62.875%0.74838%0.384SS*.  trans-61.6110161178.20000106.2M1 V5M1-S3 PolarHBondContact O-N 3.37Å; S3-V5 PolarHBondContact O-N 3.14Å
4S57.9Low77.7Confident112 Ų11259.3 Ų59.378%0.78336%0.362SS*.  trans-73.284.8174.354.20000107.6C2 A6C2-S4 PolarHBondContact O-N 3.24Å; S4-A6 PolarHBondContact O-N 3.37Å; S4-A6 VanDerWaalsContact O-N 3.12Å
5V70.1Confident78.5Confident88 Ų8864.4 Ų64.453%0.53337%0.372SS..PPolyproline II helixtrans-56.9117172.1-177.70000107.2S3 R8S3-V5 PolarHBondContact O-N 3.14Å; V5-R8 VanDerWaalsContact CG1-NH1 3.27Å
6A81.4Confident79Confident42 Ų4267.3 Ų67.335%0.34738%0.375SS..PPolyproline II helixtrans-54.3137.4-178.100000110.3S4 D40S4-A6 PolarHBondContact O-N 3.37Å; S4-A6 VanDerWaalsContact O-N 3.12Å; A6-D40 HydrophobicContact CB-CB 4.45Å
7P90.8Very high79.5Confident52 Ų5264.5 Ų64.534%0.33836%0.359SS..PPolyproline II helixtrans-61.8143.5176.4-15.828.5000110.4L39 D40 L307P7-L39 HydrophobicContact CB-CD2 4.06Å; P7-L39 HydrophobicContact CG-CD2 4.14Å; P7-D40 PolarHBondContact O-N 2.89Å; P7-L307 HydrophobicContact CB-CB 4.11Å; P7-L307 HydrophobicContact CB-CD1 4.36Å; P7-L307 HydrophobicContact CB-CD2 4.2Å; P7-L307 HydrophobicContact CB-CG 4.47Å
8R94.4Very high79.9Confident32 Ų3266.3 Ų66.312%0.12136%0.36CS..EExtended strand (participates in β ladder)trans-114.8126.8-171.9-78.4-176.8-165.389.29.3112.6V5 D40 P71 Q72 V73V5-R8 VanDerWaalsContact CG1-NH1 3.27Å; R8-D40 WeakPolarHBondContact CA-O 3.36Å; R8-D40 WeakPolarHBondContact CD-OD2 3.33Å; R8-D40 HydrophobicContact CG-CB 3.71Å; R8-D40 VanDerWaalsContact CG-OD2 3.31Å; R8-D40 WeakPolarHBondContact CG-OD2 3.48Å; R8-D40 IonicContact CZ-OD2 2.77Å; R8-D40 IonicContact NE-OD2 2.75Å; R8-D40 PolarHBondContact NE-OD2 3.49Å; R8-D40 IonicContact NH2-OD2 3.65Å; R8-P71 HydrophobicContact CB-CB 4.31Å; R8-Q72 PolarHBondContact O-N 2.88Å; R8-V73 PolarHBondContact O-N 3.25Å
9L97.3Very high80.3Confident1 Ų168.5 Ų68.51%0.00537%0.367CS..EExtended strand (participates in β ladder)trans-117.2123.9173-165.4152.2000109.5L30 D40 F41 R42 V73 V75 A303 L307L9-L30 HydrophobicContact CD1-CD2 3.99Å; L9-L30 HydrophobicContact CD2-CB 4.45Å; L9-L30 HydrophobicContact CD2-CD1 4.09Å; L9-L30 HydrophobicContact CD2-CD2 3.8Å; L9-L30 HydrophobicContact CD2-CG 4.35Å; L9-D40 PolarHBondContact N-O 3.07Å; L9-F41 HydrophobicContact CB-CD2 4.5Å; L9-F41 HydrophobicContact CD2-CD2 3.75Å; L9-F41 HydrophobicContact CD2-CE2 3.76Å; L9-F41 WeakPolarHBondContact O-CA 3.29Å; L9-F41 WeakPolarHBondContact O-CD2 3.32Å; L9-R42 PolarHBondContact O-N 2.85Å; L9-V73 WeakPolarHBondContact CA-O 3.46Å; L9-V73 HydrophobicContact CG-CG1 4.49Å; L9-V75 HydrophobicContact CD2-CG2 4.33Å; L9-A303 HydrophobicContact CD1-CB 3.8Å; L9-L307 HydrophobicContact CB-CD1 4.13Å; L9-L307 HydrophobicContact CD1-CD1 4.18Å
10W97.9Very high80.6Confident1 Ų167.7 Ų67.70%0.00436%0.363CS..EExtended strand (participates in β ladder)trans-105.6142.9170.2-70.57.6000111.4R42 L44 L60 V62 I67 P71 V73 V74 V75W10-R42 CarbonylContact C-O 3.53Å; W10-R42 VanDerWaalsContact CA-O 3.26Å; W10-R42 WeakPolarHBondContact CA-O 3.48Å; W10-R42 HydrophobicContact CG-CB 4.26Å; W10-L44 HydrophobicContact CD2-CD1 4.03Å; W10-L44 HydrophobicContact CE3-CD1 3.55Å; W10-L44 HydrophobicContact CH2-CD1 4.09Å; W10-L44 HydrophobicContact CZ3-CD1 3.59Å; W10-L60 HydrophobicContact CH2-CD1 3.89Å; W10-L60 HydrophobicContact CH2-CD2 4.29Å; W10-L60 HydrophobicContact CZ3-CD1 4.29Å; W10-L60 HydrophobicContact CZ3-CD2 4.39Å; W10-V62 HydrophobicContact CH2-CG2 4.24Å; W10-I67 HydrophobicContact CH2-CG1 4.46Å; W10-I67 HydrophobicContact CH2-CG2 4.18Å; W10-I67 HydrophobicContact CZ2-CG2 4.2Å; W10-P71 HydrophobicContact CB-CB 4.14Å; W10-P71 HydrophobicContact CB-CG 4.37Å; W10-P71 HydrophobicContact CD2-CB 3.88Å; W10-P71 HydrophobicContact CD2-CG 3.54Å; W10-P71 HydrophobicContact CE3-CG 3.72Å; W10-P71 HydrophobicContact CG-CB 3.66Å; W10-P71 HydrophobicContact CG-CG 3.84Å; W10-P71 HydrophobicContact CZ2-CG 4.43Å; W10-P71 HydrophobicContact CZ3-CG 4.26Å; W10-V73 PolarHBondContact N-O 2.8Å; W10-V74 HydrophobicContact CB-CG1 4.31Å; W10-V74 HydrophobicContact CB-CG2 4.32Å; W10-V74 CarbonylContact O-C 3.55Å; W10-V74 WeakPolarHBondContact O-CA 3.42Å; W10-V75 PolarHBondContact O-N 3.21Å
11F98.1Very high80.9Confident3 Ų368.2 Ų68.21%0.01336%0.36CS..EExtended strand (participates in β ladder)trans-104.1118.7162.4178.1-109.8000108.1T13 Q23 I26 M27 L30 F41 R42 A43 L44 V75 R77F11-T13 HydrophobicContact CD1-CG2 4.45Å; F11-T13 HydrophobicContact CE1-CG2 3.84Å; F11-Q23 HydrophobicContact CZ-CB 4.3Å; F11-I26 HydrophobicContact CD2-CG2 3.87Å; F11-I26 HydrophobicContact CE2-CB 4.16Å; F11-I26 HydrophobicContact CE2-CG2 3.51Å; F11-I26 HydrophobicContact CZ-CG2 4.4Å; F11-M27 HydrophobicContact CD1-CB 3.95Å; F11-M27 HydrophobicContact CD1-CG 4.04Å; F11-M27 HydrophobicContact CD1-SD 4.4Å; F11-M27 HydrophobicContact CE1-CB 3.82Å; F11-M27 HydrophobicContact CE1-CG 4.29Å; F11-M27 HydrophobicContact CE1-SD 4.48Å; F11-M27 HydrophobicContact CZ-CB 4.34Å; F11-L30 HydrophobicContact CB-CD1 3.94Å; F11-L30 HydrophobicContact CD2-CD1 3.65Å; F11-L30 HydrophobicContact CG-CD1 4.11Å; F11-F41 HydrophobicContact CB-CE2 3.85Å; F11-F41 HydrophobicContact CB-CZ 3.84Å; F11-R42 PolarHBondContact N-O 3.01Å; F11-A43 HydrophobicContact CB-CB 4.38Å; F11-A43 HydrophobicContact CD1-CB 4.24Å; F11-A43 CarbonylContact O-C 3.52Å; F11-A43 WeakPolarHBondContact O-CA 3.24Å; F11-L44 PolarHBondContact O-N 3.49Å; F11-V75 WeakPolarHBondContact CA-O 3.45Å; F11-V75 HydrophobicContact CD2-CB 4.2Å; F11-V75 HydrophobicContact CD2-CG1 4.1Å; F11-V75 HydrophobicContact CE2-CG1 4.43Å; F11-R77 HydrophobicContact CE2-CB 4.22Å; F11-R77 HydrophobicContact CE2-CG 3.61Å; F11-R77 HydrophobicContact CZ-CB 4.26Å; F11-R77 HydrophobicContact CZ-CG 4.02Å
12L96.4Very high83.5Confident0 Ų056.9 Ų56.90%031%0.305CS..EExtended strand (participates in β ladder)trans-118.8115.9-175.8-175.963000109.4L44 M46 V49 V74 V75 V76 R77 V91 L92 L95L12-L44 HydrophobicContact CD1-CB 3.99Å; L12-M46 HydrophobicContact CD1-CE 4.49Å; L12-M46 HydrophobicContact CD1-SD 3.91Å; L12-M46 HydrophobicContact CD2-CE 3.71Å; L12-M46 HydrophobicContact CD2-SD 3.65Å; L12-M46 HydrophobicContact CG-CE 3.65Å; L12-M46 HydrophobicContact CG-SD 3.66Å; L12-V49 HydrophobicContact CD1-CG2 4.13Å; L12-V74 HydrophobicContact CB-CG1 3.71Å; L12-V74 HydrophobicContact CD2-CG1 4.16Å; L12-V75 PolarHBondContact N-O 3.03Å; L12-V76 WeakPolarHBondContact O-CA 3.33Å; L12-R77 PolarHBondContact O-N 3.16Å; L12-V91 HydrophobicContact CD2-CG1 4.16Å; L12-L92 HydrophobicContact CD2-CD2 4.03Å; L12-L95 HydrophobicContact CD2-CD1 3.48Å; L12-L95 VanDerWaalsContact CD2-CD1 3.48Å
13T94.5Very high86Confident4 Ų451.1 Ų51.13%0.02527%0.265CS..EExtended strand (participates in β ladder)trans-129.8-178.4-176-164.90000112F11 R18 L44 V45 M46 R77F11-T13 HydrophobicContact CD1-CG2 4.45Å; F11-T13 HydrophobicContact CE1-CG2 3.84Å; T13-R18 HydrophobicContact CG2-CB 4.18Å; T13-R18 HydrophobicContact CG2-CG 3.89Å; T13-L44 PolarHBondContact N-O 2.89Å; T13-V45 HydrophobicContact CG2-CG1 3.88Å; T13-V45 CarbonylContact O-C 3.5Å; T13-V45 VanDerWaalsContact O-CA 3.23Å; T13-V45 WeakPolarHBondContact O-CA 3.36Å; T13-M46 PolarHBondContact O-N 2.95Å; T13-R77 VanDerWaalsContact CA-O 3.28Å; T13-R77 WeakPolarHBondContact CA-O 3.05Å; T13-R77 PolarHBondContact OG1-O 3.47Å
14D90.4Very high88.6Confident14 Ų1449.6 Ų49.68%0.07525%0.246CC..  trans-119.3141.6179.8-175-78.3000111.3R16 I17 R18D14-R16 VanDerWaalsContact CG-NE 3.29Å; D14-R16 VanDerWaalsContact CG-NH2 3.3Å; D14-R16 PolarHBondContact O-N 3.12Å; D14-R16 VanDerWaalsContact O-N 3.13Å; D14-R16 WeakPolarHBondContact OD1-CA 3.22Å; D14-R16 WeakPolarHBondContact OD1-CB 3.4Å; D14-R16 WeakPolarHBondContact OD1-CG 3.47Å; D14-R16 IonicContact OD1-CZ 2.69Å; D14-R16 PolarHBondContact OD1-N 3.41Å; D14-R16 IonicContact OD1-NE 2.67Å; D14-R16 PolarHBondContact OD1-NE 3.43Å; D14-R16 IonicContact OD1-NH2 3.25Å; D14-R16 IonicContact OD2-CZ 2.76Å; D14-R16 IonicContact OD2-NE 2.78Å; D14-R16 PolarHBondContact OD2-NE 3.12Å; D14-R16 IonicContact OD2-NH2 3.44Å; D14-R16 PolarHBondContact OD2-NH2 3.26Å; D14-I17 HydrophobicContact CB-CG1 4.08Å; D14-I17 CarbonylContact O-C 3.58Å; D14-I17 PolarHBondContact O-N 3.15Å; D14-R18 PolarHBondContact O-N 3.08Å
15R89.8Confident90.4Very high136 Ų13646.3 Ų46.351%0.51322%0.218SC..THydrogen-bonded Turntrans-55.7-31.8-179.5-63.8-165.9-161.2-126.4-8.6113.2I17 V45 D47R15-I17 PolarHBondContact O-N 3.04Å; R15-V45 HydrophobicContact CG-CB 4.11Å; R15-V45 HydrophobicContact CG-CG1 4.14Å; R15-V45 HydrophobicContact CG-CG2 3.99Å; R15-D47 IonicContact CZ-OD1 3.53Å; R15-D47 IonicContact CZ-OD2 2.86Å; R15-D47 IonicContact NE-OD1 3.47Å; R15-D47 PolarHBondContact NE-OD1 3.14Å; R15-D47 IonicContact NE-OD2 3.59Å; R15-D47 PolarHBondContact NE-OD2 3.06Å; R15-D47 VanDerWaalsContact NH2-CG 3.33Å; R15-D47 IonicContact NH2-OD1 2.79Å; R15-D47 PolarHBondContact NH2-OD1 2.83Å; R15-D47 IonicContact NH2-OD2 2.6Å; R15-D47 PolarHBondContact NH2-OD2 3.04Å
16R87.6Confident91.7Very high110 Ų11042.1 Ų42.142%0.41519%0.193SC..THydrogen-bonded Turntrans-60.9-25.9178.4-63.8169.1-77176.7-1.4113D14 W82 D88D14-R16 VanDerWaalsContact CG-NE 3.29Å; D14-R16 VanDerWaalsContact CG-NH2 3.3Å; D14-R16 PolarHBondContact O-N 3.12Å; D14-R16 VanDerWaalsContact O-N 3.13Å; D14-R16 WeakPolarHBondContact OD1-CA 3.22Å; D14-R16 WeakPolarHBondContact OD1-CB 3.4Å; D14-R16 WeakPolarHBondContact OD1-CG 3.47Å; D14-R16 IonicContact OD1-CZ 2.69Å; D14-R16 PolarHBondContact OD1-N 3.41Å; D14-R16 IonicContact OD1-NE 2.67Å; D14-R16 PolarHBondContact OD1-NE 3.43Å; D14-R16 IonicContact OD1-NH2 3.25Å; D14-R16 IonicContact OD2-CZ 2.76Å; D14-R16 IonicContact OD2-NE 2.78Å; D14-R16 PolarHBondContact OD2-NE 3.12Å; D14-R16 IonicContact OD2-NH2 3.44Å; D14-R16 PolarHBondContact OD2-NH2 3.26Å; R16-W82 PolarHBondContact NH1-O 2.93Å; R16-D88 IonicContact CZ-OD2 3.83Å; R16-D88 IonicContact NH2-OD1 3.3Å; R16-D88 IonicContact NH2-OD2 2.97Å; R16-D88 PolarHBondContact NH2-OD2 3.3Å
17I86.9Confident92.5Very high20 Ų2043.4 Ų43.410%0.10319%0.192CC..THydrogen-bonded Turntrans-134.18.5-173.557.5158.8000114.3D14 R15 E19 D20 Q23 V78 P79D14-I17 HydrophobicContact CB-CG1 4.08Å; D14-I17 CarbonylContact O-C 3.58Å; D14-I17 PolarHBondContact O-N 3.15Å; R15-I17 PolarHBondContact O-N 3.04Å; I17-E19 PolarHBondContact O-N 3.02Å; I17-D20 WeakPolarHBondContact O-CB 3.21Å; I17-D20 PolarHBondContact O-N 2.94Å; I17-D20 VanDerWaalsContact O-N 3.15Å; I17-Q23 HydrophobicContact CD1-CG 4.37Å; I17-Q23 WeakPolarHBondContact O-CG 3.28Å; I17-Q23 PolarHBondContact O-NE2 3.24Å; I17-V78 VanDerWaalsContact CD1-C 3.49Å; I17-P79 HydrophobicContact CD1-CB 4.26Å; I17-P79 HydrophobicContact CG1-CB 4.45Å; I17-P79 HydrophobicContact CG2-CB 3.85Å
18R86.5Confident92.8Very high98 Ų9846.1 Ų46.137%0.3720%0.196SC..THydrogen-bonded Turntrans-59.5-37-177.8-173-178.170.6-163.5-0.3112.4T13 D14 V45T13-R18 HydrophobicContact CG2-CB 4.18Å; T13-R18 HydrophobicContact CG2-CG 3.89Å; D14-R18 PolarHBondContact O-N 3.08Å; R18-V45 HydrophobicContact CG-CG1 4.45Å
19E87.8Confident93Very high108 Ų10845 Ų4551%0.50519%0.193SC..THydrogen-bonded Turntrans-90.34.9-179-46.2-53.2157.200113.8I17 Q24I17-E19 PolarHBondContact O-N 3.02Å; E19-Q24 PolarHBondContact OE2-NE2 2.91Å
20D86.6Confident93.1Very high51 Ų5145 Ų4527%0.27319%0.193SC..SBendtrans-72137.5171.6-81.12.1000109.8I17 Q23 Q24I17-D20 WeakPolarHBondContact O-CB 3.21Å; I17-D20 PolarHBondContact O-N 2.94Å; I17-D20 VanDerWaalsContact O-N 3.15Å; D20-Q23 WeakPolarHBondContact O-CB 3.09Å; D20-Q23 PolarHBondContact O-N 3.42Å; D20-Q23 PolarHBondContact O-OE1 2.94Å; D20-Q24 PolarHBondContact O-N 3.44Å
21Y86Confident93.1Very high79 Ų7951.6 Ų51.631%0.3122%0.222SC..Hα-helixtrans-47.6-49.5-174.9171.5-79.7000115.1Q23 Q24 E25 I285Y21-Q23 PolarHBondContact O-N 3.45Å; Y21-Q23 VanDerWaalsContact O-N 3.14Å; Y21-Q24 PolarHBondContact O-N 3.12Å; Y21-E25 HydrophobicContact CD1-CG 4.05Å; Y21-E25 HydrophobicContact CD2-CG 4.12Å; Y21-E25 HydrophobicContact CE1-CG 3.81Å; Y21-E25 HydrophobicContact CE2-CG 3.83Å; Y21-E25 HydrophobicContact CG-CG 4.23Å; Y21-E25 WeakPolarHBondContact O-CG 3.33Å; Y21-E25 PolarHBondContact O-N 3.05Å; Y21-I285 HydrophobicContact CD1-CB 3.99Å; Y21-I285 HydrophobicContact CD1-CD1 4.28Å; Y21-I285 HydrophobicContact CD1-CG1 3.63Å; Y21-I285 HydrophobicContact CD1-CG2 3.75Å; Y21-I285 HydrophobicContact CD2-CG2 4.47Å; Y21-I285 HydrophobicContact CE1-CB 4.24Å; Y21-I285 HydrophobicContact CE1-CG1 4.34Å; Y21-I285 HydrophobicContact CE1-CG2 3.88Å; Y21-I285 HydrophobicContact CG-CD1 4.31Å; Y21-I285 HydrophobicContact CG-CG1 4.16Å; Y21-I285 HydrophobicContact CG-CG2 4.04Å
22P91.4Very high93.1Very high6 Ų654.4 Ų54.44%0.03925%0.246CC..Hα-helixtrans-59.3-30.9-178.2-22.132.3000113.3I26 F284 I285P22-I26 WeakPolarHBondContact O-CB 3.29Å; P22-I26 VanDerWaalsContact O-CD1 3.32Å; P22-I26 WeakPolarHBondContact O-CD1 3.31Å; P22-I26 WeakPolarHBondContact O-CG1 3.33Å; P22-I26 PolarHBondContact O-N 3.48Å; P22-F284 HydrophobicContact CB-CD1 4.33Å; P22-F284 HydrophobicContact CB-CD2 4.44Å; P22-F284 HydrophobicContact CB-CE1 3.79Å; P22-F284 HydrophobicContact CB-CE2 3.92Å; P22-F284 HydrophobicContact CB-CZ 3.55Å; P22-I285 HydrophobicContact CG-CD1 4.47Å; P22-I285 HydrophobicContact CG-CG1 3.89Å
23Q93.3Very high93.1Very high10 Ų1055.7 Ų55.75%0.04725%0.251CS..Hα-helixtrans-78-44.1-177.4-68.280.3-38.900110.5F11 I17 D20 Y21 E25 M27 R77F11-Q23 HydrophobicContact CZ-CB 4.3Å; I17-Q23 HydrophobicContact CD1-CG 4.37Å; I17-Q23 WeakPolarHBondContact O-CG 3.28Å; I17-Q23 PolarHBondContact O-NE2 3.24Å; D20-Q23 WeakPolarHBondContact O-CB 3.09Å; D20-Q23 PolarHBondContact O-N 3.42Å; D20-Q23 PolarHBondContact O-OE1 2.94Å; Y21-Q23 PolarHBondContact O-N 3.45Å; Y21-Q23 VanDerWaalsContact O-N 3.14Å; Q23-E25 VanDerWaalsContact C-N 3.35Å; Q23-M27 WeakPolarHBondContact O-CB 3.4Å; Q23-M27 PolarHBondContact O-N 2.68Å; Q23-R77 HydrophobicContact CG-CB 4.04Å; Q23-R77 HydrophobicContact CG-CG 4.45Å
24Q95.2Very high93.2Very high75 Ų7555.7 Ų55.735%0.3525%0.252SS..Hα-helixtrans-61.2-43.3173.5-68.1-177.1-22.400111.4E19 D20 Y21 M27 R28E19-Q24 PolarHBondContact OE2-NE2 2.91Å; D20-Q24 PolarHBondContact O-N 3.44Å; Y21-Q24 PolarHBondContact O-N 3.12Å; Q24-M27 PolarHBondContact O-N 2.85Å; Q24-R28 WeakPolarHBondContact O-CB 3.32Å; Q24-R28 PolarHBondContact O-N 3.31Å
25E96.5Very high93.5Very high42 Ų4260 Ų6020%0.19628%0.282CS..Hα-helixtrans-70.3-40.8-179.6-66-66.780.900112.7Y21 Q23 R28 A29 A296Y21-E25 HydrophobicContact CD1-CG 4.05Å; Y21-E25 HydrophobicContact CD2-CG 4.12Å; Y21-E25 HydrophobicContact CE1-CG 3.81Å; Y21-E25 HydrophobicContact CE2-CG 3.83Å; Y21-E25 HydrophobicContact CG-CG 4.23Å; Y21-E25 WeakPolarHBondContact O-CG 3.33Å; Y21-E25 PolarHBondContact O-N 3.05Å; Q23-E25 VanDerWaalsContact C-N 3.35Å; E25-R28 PolarHBondContact O-N 3.31Å; E25-R28 IonicContact OE1-CZ 3.53Å; E25-R28 IonicContact OE1-NE 3.58Å; E25-R28 PolarHBondContact OE1-NE 3.17Å; E25-R28 IonicContact OE1-NH2 3.66Å; E25-R28 IonicContact OE2-CZ 3.76Å; E25-R28 IonicContact OE2-NE 2.87Å; E25-R28 PolarHBondContact OE2-NE 3.33Å; E25-R28 IonicContact OE2-NH2 2.63Å; E25-R28 PolarHBondContact OE2-NH2 3.04Å; E25-A29 WeakPolarHBondContact O-CB 3.37Å; E25-A29 PolarHBondContact O-N 3.11Å; E25-A296 HydrophobicContact CB-CB 3.91Å
26I97.5Very high93.7Very high1 Ų160.1 Ų60.11%0.00529%0.288CS..Hα-helixtrans-60.3-46.4171.1-72.5162.8000110.5F11 P22 R28 A29 L30 V75 R77 F284 A296 I299F11-I26 HydrophobicContact CD2-CG2 3.87Å; F11-I26 HydrophobicContact CE2-CB 4.16Å; F11-I26 HydrophobicContact CE2-CG2 3.51Å; F11-I26 HydrophobicContact CZ-CG2 4.4Å; P22-I26 WeakPolarHBondContact O-CB 3.29Å; P22-I26 VanDerWaalsContact O-CD1 3.32Å; P22-I26 WeakPolarHBondContact O-CD1 3.31Å; P22-I26 WeakPolarHBondContact O-CG1 3.33Å; P22-I26 PolarHBondContact O-N 3.48Å; I26-R28 VanDerWaalsContact C-N 3.32Å; I26-R28 PolarHBondContact O-N 3.34Å; I26-A29 PolarHBondContact O-N 3.48Å; I26-L30 HydrophobicContact CG2-CD1 3.53Å; I26-L30 HydrophobicContact CG2-CG 4.05Å; I26-L30 WeakPolarHBondContact O-CB 3.48Å; I26-L30 VanDerWaalsContact O-CG 3.26Å; I26-L30 WeakPolarHBondContact O-CG 2.97Å; I26-L30 PolarHBondContact O-N 3.35Å; I26-V75 HydrophobicContact CG2-CG1 4.09Å; I26-R77 HydrophobicContact CD1-CG 4.24Å; I26-F284 HydrophobicContact CD1-CE1 3.92Å; I26-F284 HydrophobicContact CD1-CZ 3.76Å; I26-F284 HydrophobicContact CG1-CE1 4.47Å; I26-F284 HydrophobicContact CG1-CZ 3.86Å; I26-A296 HydrophobicContact CG1-CB 4.3Å; I26-I299 HydrophobicContact CD1-CD1 3.84Å; I26-I299 HydrophobicContact CG1-CD1 4Å; I26-I299 HydrophobicContact CG1-CG2 4.42Å; I26-I299 HydrophobicContact CG2-CG2 4.32Å
27M97.5Very high94Very high68 Ų6858.9 Ų58.934%0.33529%0.287SS..Hα-helixtrans-61-41.5179-176.3179.462.700111.8F11 Q23 Q24 K31 A43F11-M27 HydrophobicContact CD1-CB 3.95Å; F11-M27 HydrophobicContact CD1-CG 4.04Å; F11-M27 HydrophobicContact CD1-SD 4.4Å; F11-M27 HydrophobicContact CE1-CB 3.82Å; F11-M27 HydrophobicContact CE1-CG 4.29Å; F11-M27 HydrophobicContact CE1-SD 4.48Å; F11-M27 HydrophobicContact CZ-CB 4.34Å; Q23-M27 WeakPolarHBondContact O-CB 3.4Å; Q23-M27 PolarHBondContact O-N 2.68Å; Q24-M27 PolarHBondContact O-N 2.85Å; M27-K31 VanDerWaalsContact O-CB 3.28Å; M27-K31 WeakPolarHBondContact O-CB 3.18Å; M27-K31 PolarHBondContact O-N 3.11Å; M27-A43 HydrophobicContact CG-CB 4.2Å; M27-A43 HydrophobicContact SD-CB 3.9Å
28R97.8Very high94.3Very high110 Ų11066.2 Ų66.242%0.41532%0.321SS..Hα-helixtrans-61.2-49.8174.5178-172.256.962.7-2.6111.3Q24 E25 I26 K31 A32Q24-R28 WeakPolarHBondContact O-CB 3.32Å; Q24-R28 PolarHBondContact O-N 3.31Å; E25-R28 PolarHBondContact O-N 3.31Å; E25-R28 IonicContact OE1-CZ 3.53Å; E25-R28 IonicContact OE1-NE 3.58Å; E25-R28 PolarHBondContact OE1-NE 3.17Å; E25-R28 IonicContact OE1-NH2 3.66Å; E25-R28 IonicContact OE2-CZ 3.76Å; E25-R28 IonicContact OE2-NE 2.87Å; E25-R28 PolarHBondContact OE2-NE 3.33Å; E25-R28 IonicContact OE2-NH2 2.63Å; E25-R28 PolarHBondContact OE2-NH2 3.04Å; I26-R28 VanDerWaalsContact C-N 3.32Å; I26-R28 PolarHBondContact O-N 3.34Å; R28-K31 PolarHBondContact O-N 2.97Å; R28-A32 WeakPolarHBondContact O-CB 3.46Å; R28-A32 PolarHBondContact O-N 2.68Å
29A98.3Very high94.7Very high8 Ų862.6 Ų62.67%0.06631%0.309CS..Hα-helixtrans-63.6-46.3-18000000111.8E25 I26 K31 A32 K33 A296 A300E25-A29 WeakPolarHBondContact O-CB 3.37Å; E25-A29 PolarHBondContact O-N 3.11Å; I26-A29 PolarHBondContact O-N 3.48Å; A29-K31 PolarHBondContact O-N 2.99Å; A29-A32 PolarHBondContact O-N 3.16Å; A29-K33 VanDerWaalsContact O-CB 3.3Å; A29-K33 WeakPolarHBondContact O-CB 3.5Å; A29-K33 PolarHBondContact O-N 2.8Å; A29-A296 HydrophobicContact CB-CB 3.98Å; A29-A296 WeakPolarHBondContact CB-O 3.44Å; A29-A300 HydrophobicContact CB-CB 3.88Å
30L98.4Very high95Very high0 Ų059.7 Ų59.70%030%0.297CS..Hα-helixtrans-60.5-44.1175.7-71.4172000112L9 F11 I26 A32 K33 C34 F41 V75 A300 A303L9-L30 HydrophobicContact CD1-CD2 3.99Å; L9-L30 HydrophobicContact CD2-CB 4.45Å; L9-L30 HydrophobicContact CD2-CD1 4.09Å; L9-L30 HydrophobicContact CD2-CD2 3.8Å; L9-L30 HydrophobicContact CD2-CG 4.35Å; F11-L30 HydrophobicContact CB-CD1 3.94Å; F11-L30 HydrophobicContact CD2-CD1 3.65Å; F11-L30 HydrophobicContact CG-CD1 4.11Å; I26-L30 HydrophobicContact CG2-CD1 3.53Å; I26-L30 HydrophobicContact CG2-CG 4.05Å; I26-L30 WeakPolarHBondContact O-CB 3.48Å; I26-L30 VanDerWaalsContact O-CG 3.26Å; I26-L30 WeakPolarHBondContact O-CG 2.97Å; I26-L30 PolarHBondContact O-N 3.35Å; L30-A32 PolarHBondContact O-N 2.98Å; L30-K33 PolarHBondContact O-N 3.29Å; L30-C34 WeakPolarHBondContact O-CB 3.41Å; L30-C34 PolarHBondContact O-N 2.76Å; L30-C34 PolarHBondContact O-SG 3.48Å; L30-F41 HydrophobicContact CB-CD2 4.45Å; L30-F41 HydrophobicContact CB-CE2 3.7Å; L30-F41 HydrophobicContact CB-CZ 4.04Å; L30-F41 HydrophobicContact CD1-CE2 4.34Å; L30-V75 HydrophobicContact CD1-CB 3.9Å; L30-V75 HydrophobicContact CD1-CG1 4.11Å; L30-V75 HydrophobicContact CD1-CG2 3.96Å; L30-V75 HydrophobicContact CD2-CG2 4.11Å; L30-A300 HydrophobicContact CD2-CB 3.8Å; L30-A300 HydrophobicContact CG-CB 4.22Å; L30-A303 HydrophobicContact CD2-CB 3.97Å
31K98.1Very high95.5Very high140 Ų14059.4 Ų59.461%0.60929%0.293SS*.Hα-helixtrans-63-42.3177.7-173.9179.4-178.9-1800112M27 R28 A29 C35 F41M27-K31 VanDerWaalsContact O-CB 3.28Å; M27-K31 WeakPolarHBondContact O-CB 3.18Å; M27-K31 PolarHBondContact O-N 3.11Å; R28-K31 PolarHBondContact O-N 2.97Å; A29-K31 PolarHBondContact O-N 2.99Å; K31-C35 WeakPolarHBondContact O-CB 3.22Å; K31-C35 PolarHBondContact O-N 3.39Å; K31-C35 VanDerWaalsContact O-N 3.14Å; K31-F41 HydrophobicContact CB-CD1 4.22Å; K31-F41 HydrophobicContact CB-CE1 3.94Å; K31-F41 HydrophobicContact CG-CD1 4.33Å; K31-F41 HydrophobicContact CG-CE1 4.38Å
32A98.2Very high96Very high62 Ų6260 Ų6051%0.51230%0.295SS..Hα-helixtrans-63.1-46.4175.100000111.1R28 A29 L30 C35 E36R28-A32 WeakPolarHBondContact O-CB 3.46Å; R28-A32 PolarHBondContact O-N 2.68Å; A29-A32 PolarHBondContact O-N 3.16Å; L30-A32 PolarHBondContact O-N 2.98Å; A32-C35 WeakPolarHBondContact O-CB 3.17Å; A32-C35 PolarHBondContact O-N 3.35Å; A32-E36 PolarHBondContact O-N 3.48Å
33K97.4Very high96.3Very high27 Ų2761.9 Ų61.912%0.11731%0.31CS..Hα-helixtrans-65.6-40.7-178.4-171.256.4176.4171.90113.4A29 L30 C35 E36 E37 A300 D301 A304A29-K33 VanDerWaalsContact O-CB 3.3Å; A29-K33 WeakPolarHBondContact O-CB 3.5Å; A29-K33 PolarHBondContact O-N 2.8Å; L30-K33 PolarHBondContact O-N 3.29Å; K33-C35 VanDerWaalsContact C-N 3.31Å; K33-C35 PolarHBondContact O-N 2.82Å; K33-E36 VanDerWaalsContact CD-OE2 3.28Å; K33-E36 WeakPolarHBondContact CD-OE2 3.21Å; K33-E36 IonicContact NZ-OE2 3.75Å; K33-E36 PolarHBondContact NZ-OE2 2.86Å; K33-E36 PolarHBondContact O-N 3.3Å; K33-E37 WeakPolarHBondContact CE-OE1 3.33Å; K33-E37 IonicContact NZ-OE1 3.76Å; K33-E37 PolarHBondContact NZ-OE1 3.44Å; K33-E37 PolarHBondContact O-N 3.01Å; K33-A300 HydrophobicContact CB-CB 4.02Å; K33-A300 HydrophobicContact CG-CB 4.35Å; K33-D301 WeakPolarHBondContact CE-OD1 3.28Å; K33-D301 IonicContact NZ-OD1 3.91Å; K33-D301 PolarHBondContact NZ-OD1 3.48Å; K33-A304 HydrophobicContact CG-CB 3.94Å
34C96.1Very high96.4Very high4 Ų462.1 Ų62.13%0.02731%0.312CS..Hα-helixtrans-69-29.9175.4-64.30000112.5L30 E38 L39 F41L30-C34 WeakPolarHBondContact O-CB 3.41Å; L30-C34 PolarHBondContact O-N 2.76Å; L30-C34 PolarHBondContact O-SG 3.48Å; C34-E38 PolarHBondContact O-N 3.09Å; C34-L39 HydrophobicContact CB-CB 3.85Å; C34-L39 HydrophobicContact CB-CD1 4.47Å; C34-L39 PolarHBondContact O-N 3.01Å; C34-F41 HydrophobicContact CB-CB 3.63Å; C34-F41 HydrophobicContact CB-CD2 4.46Å; C34-F41 HydrophobicContact CB-CG 4.2Å
35C95.7Very high96.3Very high105 Ų10558.8 Ų58.871%0.70930%0.297SS*.Hα-helixtrans-69.3-40.7171.8-165.40000111.7K31 A32 K33K31-C35 WeakPolarHBondContact O-CB 3.22Å; K31-C35 PolarHBondContact O-N 3.39Å; K31-C35 VanDerWaalsContact O-N 3.14Å; A32-C35 WeakPolarHBondContact O-CB 3.17Å; A32-C35 PolarHBondContact O-N 3.35Å; K33-C35 VanDerWaalsContact C-N 3.31Å; K33-C35 PolarHBondContact O-N 2.82Å
36E95.4Very high96.1Very high138 Ų13857.3 Ų57.365%0.64529%0.29SS*.Hα-helixtrans-64.1-42.7176.5-177.6-173-142.900112.7A32 K33A32-E36 PolarHBondContact O-N 3.48Å; K33-E36 VanDerWaalsContact CD-OE2 3.28Å; K33-E36 WeakPolarHBondContact CD-OE2 3.21Å; K33-E36 IonicContact NZ-OE2 3.75Å; K33-E36 PolarHBondContact NZ-OE2 2.86Å; K33-E36 PolarHBondContact O-N 3.3Å
37E93.8Very high95.7Very high85 Ų8562.1 Ų62.140%0.39732%0.316SS..THydrogen-bonded Turntrans-99.514.8-175.2-63.7-168.9-177.100114.4K33 L39K33-E37 WeakPolarHBondContact CE-OE1 3.33Å; K33-E37 IonicContact NZ-OE1 3.76Å; K33-E37 PolarHBondContact NZ-OE1 3.44Å; K33-E37 PolarHBondContact O-N 3.01Å; E37-L39 VanDerWaalsContact C-N 3.31Å; E37-L39 HydrophobicContact CB-CD1 4.04Å; E37-L39 HydrophobicContact CB-CD2 4.32Å; E37-L39 HydrophobicContact CB-CG 3.87Å; E37-L39 WeakPolarHBondContact O-CD2 3.06Å; E37-L39 PolarHBondContact O-N 3.08Å
38E93.8Very high95.5Very high174 Ų17460.9 Ų60.981%0.81331%0.309SS*.THydrogen-bonded Turntrans53.639.5179.3-58.2-172.8165.500114.6C34C34-E38 PolarHBondContact O-N 3.09Å
39L93.7Very high95.4Very high22 Ų2256.2 Ų56.212%0.11529%0.293CS..  trans-92.8140.5-177.7-50.1174.9000112P7 C34 E37 F41 A304 L307P7-L39 HydrophobicContact CB-CD2 4.06Å; P7-L39 HydrophobicContact CG-CD2 4.14Å; C34-L39 HydrophobicContact CB-CB 3.85Å; C34-L39 HydrophobicContact CB-CD1 4.47Å; C34-L39 PolarHBondContact O-N 3.01Å; E37-L39 VanDerWaalsContact C-N 3.31Å; E37-L39 HydrophobicContact CB-CD1 4.04Å; E37-L39 HydrophobicContact CB-CD2 4.32Å; E37-L39 HydrophobicContact CB-CG 3.87Å; E37-L39 WeakPolarHBondContact O-CD2 3.06Å; E37-L39 PolarHBondContact O-N 3.08Å; L39-F41 PolarHBondContact O-N 3.42Å; L39-F41 VanDerWaalsContact O-N 3.16Å; L39-A304 HydrophobicContact CD1-CB 4.27Å; L39-L307 HydrophobicContact CD1-CD1 3.61Å; L39-L307 HydrophobicContact CD2-CD1 4.11Å; L39-L307 HydrophobicContact CG-CD1 4.38Å
40D95Very high95.2Very high47 Ų4759.6 Ų59.625%0.25131%0.312SS..EExtended strand (participates in β ladder)trans-75105.2174171.213000109.4A6 P7 R8 L9A6-D40 HydrophobicContact CB-CB 4.45Å; P7-D40 PolarHBondContact O-N 2.89Å; R8-D40 WeakPolarHBondContact CA-O 3.36Å; R8-D40 WeakPolarHBondContact CD-OD2 3.33Å; R8-D40 HydrophobicContact CG-CB 3.71Å; R8-D40 VanDerWaalsContact CG-OD2 3.31Å; R8-D40 WeakPolarHBondContact CG-OD2 3.48Å; R8-D40 IonicContact CZ-OD2 2.77Å; R8-D40 IonicContact NE-OD2 2.75Å; R8-D40 PolarHBondContact NE-OD2 3.49Å; R8-D40 IonicContact NH2-OD2 3.65Å; L9-D40 PolarHBondContact N-O 3.07Å
41F96.7Very high95Very high45 Ų4561.9 Ų61.920%0.19732%0.324CS..EExtended strand (participates in β ladder)trans-106.3132.6-174.8178.4-106.8000112.7L9 F11 L30 K31 C34 L39 A43L9-F41 HydrophobicContact CB-CD2 4.5Å; L9-F41 HydrophobicContact CD2-CD2 3.75Å; L9-F41 HydrophobicContact CD2-CE2 3.76Å; L9-F41 WeakPolarHBondContact O-CA 3.29Å; L9-F41 WeakPolarHBondContact O-CD2 3.32Å; F11-F41 HydrophobicContact CB-CE2 3.85Å; F11-F41 HydrophobicContact CB-CZ 3.84Å; L30-F41 HydrophobicContact CB-CD2 4.45Å; L30-F41 HydrophobicContact CB-CE2 3.7Å; L30-F41 HydrophobicContact CB-CZ 4.04Å; L30-F41 HydrophobicContact CD1-CE2 4.34Å; K31-F41 HydrophobicContact CB-CD1 4.22Å; K31-F41 HydrophobicContact CB-CE1 3.94Å; K31-F41 HydrophobicContact CG-CD1 4.33Å; K31-F41 HydrophobicContact CG-CE1 4.38Å; C34-F41 HydrophobicContact CB-CB 3.63Å; C34-F41 HydrophobicContact CB-CD2 4.46Å; C34-F41 HydrophobicContact CB-CG 4.2Å; L39-F41 PolarHBondContact O-N 3.42Å; L39-F41 VanDerWaalsContact O-N 3.16Å; F41-A43 HydrophobicContact CE1-CB 4.1Å; F41-A43 HydrophobicContact CZ-CB 4.09Å
42R96.6Very high94.9Very high92 Ų9256.2 Ų56.235%0.34730%0.301SS..EExtended strand (participates in β ladder)trans-131134.4169-55.7-172-175.6-160.9-3.8111L9 W10 F11L9-R42 PolarHBondContact O-N 2.85Å; W10-R42 CarbonylContact C-O 3.53Å; W10-R42 VanDerWaalsContact CA-O 3.26Å; W10-R42 WeakPolarHBondContact CA-O 3.48Å; W10-R42 HydrophobicContact CG-CB 4.26Å; F11-R42 PolarHBondContact N-O 3.01Å
43A97.1Very high94.8Very high44 Ų4459 Ų5936%0.36431%0.306SS..EExtended strand (participates in β ladder)trans-104.4127.516700000108.5F11 M27 F41F11-A43 HydrophobicContact CB-CB 4.38Å; F11-A43 HydrophobicContact CD1-CB 4.24Å; F11-A43 CarbonylContact O-C 3.52Å; F11-A43 WeakPolarHBondContact O-CA 3.24Å; M27-A43 HydrophobicContact CG-CB 4.2Å; M27-A43 HydrophobicContact SD-CB 3.9Å; F41-A43 HydrophobicContact CE1-CB 4.1Å; F41-A43 HydrophobicContact CZ-CB 4.09Å
44L96.1Very high94.5Very high16 Ų1663 Ų638%0.08433%0.325CS..EExtended strand (participates in β ladder)trans-133.1153-175.4-59.7177.2000110.4W10 F11 L12 T13 E48 V49 V62W10-L44 HydrophobicContact CD2-CD1 4.03Å; W10-L44 HydrophobicContact CE3-CD1 3.55Å; W10-L44 HydrophobicContact CH2-CD1 4.09Å; W10-L44 HydrophobicContact CZ3-CD1 3.59Å; F11-L44 PolarHBondContact O-N 3.49Å; L12-L44 HydrophobicContact CD1-CB 3.99Å; T13-L44 PolarHBondContact N-O 2.89Å; L44-E48 WeakPolarHBondContact CA-OE2 3.31Å; L44-V49 HydrophobicContact CD1-CG2 4.22Å; L44-V62 HydrophobicContact CD1-CG1 4.37Å; L44-V62 HydrophobicContact CD1-CG2 3.98Å; L44-V62 HydrophobicContact CD2-CG1 3.63Å
45V93.7Very high94.5Very high4 Ų470.8 Ų70.82%0.02437%0.367CS..EExtended strand (participates in β ladder)trans-100.5150.9160.9-68.20000111.7T13 R15 R18 D47 E48T13-V45 HydrophobicContact CG2-CG1 3.88Å; T13-V45 CarbonylContact O-C 3.5Å; T13-V45 VanDerWaalsContact O-CA 3.23Å; T13-V45 WeakPolarHBondContact O-CA 3.36Å; R15-V45 HydrophobicContact CG-CB 4.11Å; R15-V45 HydrophobicContact CG-CG1 4.14Å; R15-V45 HydrophobicContact CG-CG2 3.99Å; R18-V45 HydrophobicContact CG-CG1 4.45Å; V45-D47 VanDerWaalsContact CG2-OD1 3.25Å; V45-D47 WeakPolarHBondContact CG2-OD1 3.37Å; V45-D47 PolarHBondContact O-N 2.89Å; V45-D47 VanDerWaalsContact O-N 3.11Å; V45-E48 HydrophobicContact CG2-CB 4.47Å; V45-E48 HydrophobicContact CG2-CG 3.62Å; V45-E48 WeakPolarHBondContact CG2-OE2 3.38Å; V45-E48 PolarHBondContact N-OE2 3.31Å; V45-E48 WeakPolarHBondContact O-CB 3.49Å; V45-E48 PolarHBondContact O-N 3.29Å
46M90.9Very high94.4Very high11 Ų1168.9 Ų68.95%0.05437%0.366CS..G310 helixtrans-48.4-41.4-174.6-71.6-61.6178.500114.6L12 T13 E48 V49 V76 V78 V91 L92L12-M46 HydrophobicContact CD1-CE 4.49Å; L12-M46 HydrophobicContact CD1-SD 3.91Å; L12-M46 HydrophobicContact CD2-CE 3.71Å; L12-M46 HydrophobicContact CD2-SD 3.65Å; L12-M46 HydrophobicContact CG-CE 3.65Å; L12-M46 HydrophobicContact CG-SD 3.66Å; T13-M46 PolarHBondContact O-N 2.95Å; M46-E48 VanDerWaalsContact C-N 3.32Å; M46-E48 PolarHBondContact O-N 3.48Å; M46-V49 WeakPolarHBondContact O-CB 3.34Å; M46-V49 PolarHBondContact O-N 3.35Å; M46-V76 HydrophobicContact CE-CG1 4.47Å; M46-V78 HydrophobicContact CE-CG1 3.36Å; M46-V91 HydrophobicContact SD-CB 4.02Å; M46-V91 HydrophobicContact SD-CG1 3.71Å; M46-L92 HydrophobicContact CE-CD1 4.24Å; M46-L92 HydrophobicContact CE-CD2 3.66Å; M46-L92 HydrophobicContact CE-CG 3.88Å
47D90.1Very high94.3Very high102 Ų10267.6 Ų67.655%0.54536%0.363SS..G310 helixtrans-84.2-0.6-175.463.4-2.3000114.5R15 V45 V49R15-D47 IonicContact CZ-OD1 3.53Å; R15-D47 IonicContact CZ-OD2 2.86Å; R15-D47 IonicContact NE-OD1 3.47Å; R15-D47 PolarHBondContact NE-OD1 3.14Å; R15-D47 IonicContact NE-OD2 3.59Å; R15-D47 PolarHBondContact NE-OD2 3.06Å; R15-D47 VanDerWaalsContact NH2-CG 3.33Å; R15-D47 IonicContact NH2-OD1 2.79Å; R15-D47 PolarHBondContact NH2-OD1 2.83Å; R15-D47 IonicContact NH2-OD2 2.6Å; R15-D47 PolarHBondContact NH2-OD2 3.04Å; V45-D47 VanDerWaalsContact CG2-OD1 3.25Å; V45-D47 WeakPolarHBondContact CG2-OD1 3.37Å; V45-D47 PolarHBondContact O-N 2.89Å; V45-D47 VanDerWaalsContact O-N 3.11Å; D47-V49 VanDerWaalsContact C-N 3.32Å
48E93.8Very high94.4Very high43 Ų4366.5 Ų66.520%0.20136%0.36CS..G310 helixtrans-81.3-16.5163.5-67.5167.4158.600111.8L44 V45 M46 V62 N63L44-E48 WeakPolarHBondContact CA-OE2 3.31Å; V45-E48 HydrophobicContact CG2-CB 4.47Å; V45-E48 HydrophobicContact CG2-CG 3.62Å; V45-E48 WeakPolarHBondContact CG2-OE2 3.38Å; V45-E48 PolarHBondContact N-OE2 3.31Å; V45-E48 WeakPolarHBondContact O-CB 3.49Å; V45-E48 PolarHBondContact O-N 3.29Å; M46-E48 VanDerWaalsContact C-N 3.32Å; M46-E48 PolarHBondContact O-N 3.48Å; E48-V62 WeakPolarHBondContact O-CA 3.35Å; E48-N63 WeakPolarHBondContact CG-OD1 3.17Å; E48-N63 PolarHBondContact O-N 3.19Å; E48-N63 VanDerWaalsContact O-N 3.14Å
49V94.3Very high94.5Very high11 Ų1158.7 Ų58.77%0.06733%0.325CS..EExtended strand (participates in β ladder)trans-95.1110.8-176.6-171.80000110.2L12 L44 M46 D47 L51 V91L12-V49 HydrophobicContact CD1-CG2 4.13Å; L44-V49 HydrophobicContact CD1-CG2 4.22Å; M46-V49 WeakPolarHBondContact O-CB 3.34Å; M46-V49 PolarHBondContact O-N 3.35Å; D47-V49 VanDerWaalsContact C-N 3.32Å; V49-L51 HydrophobicContact CG1-CD2 3.86Å; V49-V91 HydrophobicContact CB-CG1 4.3Å; V49-V91 HydrophobicContact CG1-CG1 4.2Å
50V94.4Very high94.5Very high79 Ų7957.6 Ų57.648%0.47932%0.32SS..EExtended strand (participates in β ladder)trans-98.8129.3171.5177.20000108.7L60 R61V50-L60 CarbonylContact O-C 3.45Å; V50-L60 VanDerWaalsContact O-CA 3.32Å; V50-L60 WeakPolarHBondContact O-CA 3.43Å; V50-R61 HydrophobicContact CB-CB 4.27Å; V50-R61 PolarHBondContact N-O 2.81Å; V50-R61 PolarHBondContact O-N 3.5Å
51L95.1Very high94.5Very high48 Ų4860.6 Ų60.625%0.25133%0.328SS..EExtended strand (participates in β ladder)trans-96.8138-179-46.1173.2000109.3V49 T90 V91 H94V49-L51 HydrophobicContact CG1-CD2 3.86Å; L51-T90 HydrophobicContact CD1-CG2 3.69Å; L51-V91 HydrophobicContact CD1-CG2 4.12Å; L51-V91 HydrophobicContact CD2-CG2 4.45Å; L51-V91 HydrophobicContact CG-CG2 4.47Å; L51-H94 HydrophobicContact CD1-CB 3.87Å; L51-H94 HydrophobicContact CD2-CB 3.96Å; L51-H94 HydrophobicContact CG-CB 4.42Å
52T95.1Very high94.5Very high21 Ų2159 Ų5913%0.12932%0.321CS..EExtended strand (participates in β ladder)trans-126.5151.2175.470.40000111.5E54 G59 R61 H94T52-E54 VanDerWaalsContact CB-OE1 3.24Å; T52-E54 WeakPolarHBondContact CB-OE1 3.42Å; T52-E54 PolarHBondContact OG1-OE1 2.93Å; T52-G59 PolarHBondContact N-O 2.69Å; T52-G59 PolarHBondContact O-N 2.99Å; T52-G59 WeakPolarHBondContact OG1-CA 3.49Å; T52-G59 PolarHBondContact OG1-O 3.42Å; T52-R61 HydrophobicContact CG2-CG 4.49Å; T52-H94 PolarHBondContact O-CE1 2.82Å
53I95.7Very high94.3Very high120 Ų12060 Ų6062%0.61533%0.334SS*.EExtended strand (participates in β ladder)trans-128.2108.6167.2-56.4-178.2000106N57 L58I53-N57 VanDerWaalsContact CA-O 3.32Å; I53-N57 WeakPolarHBondContact CA-O 3.34Å; I53-L58 HydrophobicContact CD1-CD2 4.27Å; I53-L58 HydrophobicContact CG1-CD2 4.07Å
54E92.6Very high94Very high111 Ų11159.9 Ų59.952%0.51934%0.337SS..EExtended strand (participates in β ladder)trans-123.6118.9-173.7-71.7168.9-139.600108.2T52 G56 N57T52-E54 VanDerWaalsContact CB-OE1 3.24Å; T52-E54 WeakPolarHBondContact CB-OE1 3.42Å; T52-E54 PolarHBondContact OG1-OE1 2.93Å; E54-G56 PolarHBondContact O-N 3.23Å; E54-G56 VanDerWaalsContact O-N 3.12Å; E54-N57 PolarHBondContact N-O 3.15Å; E54-N57 WeakPolarHBondContact O-CB 3.5Å; E54-N57 PolarHBondContact O-N 3.42Å; E54-N57 PolarHBondContact O-ND2 2.85Å; E54-N57 VanDerWaalsContact O-ND2 3.08Å
55D94.3Very high93.9Very high168 Ų16865.8 Ų65.890%0.89836%0.364SS*.THydrogen-bonded Turntrans48.936.6-173.1-59.6-34.8000114.3N57D55-N57 VanDerWaalsContact C-N 3.31Å; D55-N57 PolarHBondContact O-N 2.99Å; D55-N57 PolarHBondContact O-ND2 3.12Å; D55-N57 VanDerWaalsContact O-ND2 3.15Å
56G94Very high93.9Very high66 Ų6670.5 Ų70.568%0.6839%0.388SS*.THydrogen-bonded Turntrans82.4-0.7-178.600000115.2E54E54-G56 PolarHBondContact O-N 3.23Å; E54-G56 VanDerWaalsContact O-N 3.12Å
57N93.8Very high94Very high110 Ų11070.5 Ų70.559%0.58839%0.388SS*.EExtended strand (participates in β ladder)trans-94.5138179.6-54-81.5000110.7I53 E54 D55I53-N57 VanDerWaalsContact CA-O 3.32Å; I53-N57 WeakPolarHBondContact CA-O 3.34Å; E54-N57 PolarHBondContact N-O 3.15Å; E54-N57 WeakPolarHBondContact O-CB 3.5Å; E54-N57 PolarHBondContact O-N 3.42Å; E54-N57 PolarHBondContact O-ND2 2.85Å; E54-N57 VanDerWaalsContact O-ND2 3.08Å; D55-N57 VanDerWaalsContact C-N 3.31Å; D55-N57 PolarHBondContact O-N 2.99Å; D55-N57 PolarHBondContact O-ND2 3.12Å; D55-N57 VanDerWaalsContact O-ND2 3.15Å
58L95.9Very high94Very high63 Ų6371 Ų7133%0.3340%0.396SS..EExtended strand (participates in β ladder)trans-74.9129.1173.1-57.3-177.7000109.7I53 K97 M98I53-L58 HydrophobicContact CD1-CD2 4.27Å; I53-L58 HydrophobicContact CG1-CD2 4.07Å; L58-K97 HydrophobicContact CD1-CB 3.58Å; L58-M98 HydrophobicContact CB-CE 4.43Å; L58-M98 HydrophobicContact CB-CG 3.78Å; L58-M98 HydrophobicContact CB-SD 4.48Å; L58-M98 HydrophobicContact CD1-CG 3.94Å
59G94.9Very high93.8Very high9 Ų970.7 Ų70.79%0.09340%0.4CS..EExtended strand (participates in β ladder)trans-135162.5175.700000110.9T52 H94T52-G59 PolarHBondContact N-O 2.69Å; T52-G59 PolarHBondContact O-N 2.99Å; T52-G59 WeakPolarHBondContact OG1-CA 3.49Å; T52-G59 PolarHBondContact OG1-O 3.42Å; G59-H94 PolarHBondContact O-NE2 3.07Å; G59-H94 VanDerWaalsContact O-NE2 3.09Å
60L95.1Very high93.6Very high0 Ų073.6 Ų73.60%041%0.41CS..EExtended strand (participates in β ladder)trans-143.4147.7175.680.190.7000111.1W10 V50 V62 I67 Y70 L95 M98W10-L60 HydrophobicContact CH2-CD1 3.89Å; W10-L60 HydrophobicContact CH2-CD2 4.29Å; W10-L60 HydrophobicContact CZ3-CD1 4.29Å; W10-L60 HydrophobicContact CZ3-CD2 4.39Å; V50-L60 CarbonylContact O-C 3.45Å; V50-L60 VanDerWaalsContact O-CA 3.32Å; V50-L60 WeakPolarHBondContact O-CA 3.43Å; L60-V62 HydrophobicContact CD1-CG2 3.76Å; L60-I67 HydrophobicContact CD1-CB 3.56Å; L60-I67 HydrophobicContact CD1-CG1 3.48Å; L60-I67 VanDerWaalsContact CD1-CG1 3.48Å; L60-I67 HydrophobicContact CD1-CG2 4.17Å; L60-I67 HydrophobicContact CG-CB 3.97Å; L60-I67 HydrophobicContact CG-CG1 4.42Å; L60-I67 HydrophobicContact CG-CG2 4.47Å; L60-I67 PolarHBondContact O-N 3.44Å; L60-Y70 HydrophobicContact CD2-CD1 3.67Å; L60-Y70 HydrophobicContact CD2-CE1 3.86Å; L60-Y70 HydrophobicContact CG-CD1 4.3Å; L60-Y70 HydrophobicContact CG-CE1 4.03Å; L60-L95 HydrophobicContact CD2-CD2 3.89Å; L60-M98 HydrophobicContact CD2-CE 3.98Å; L60-M98 HydrophobicContact CD2-SD 3.8Å; L60-M98 HydrophobicContact CG-CE 4.48Å
61R95.4Very high93.6Very high110 Ų11070 Ų7042%0.41539%0.389SS..EExtended strand (participates in β ladder)trans-119.4144.9171.9-56.8171.570170.51.5109.5V50 T52 G64 E65 L66V50-R61 HydrophobicContact CB-CB 4.27Å; V50-R61 PolarHBondContact N-O 2.81Å; V50-R61 PolarHBondContact O-N 3.5Å; T52-R61 HydrophobicContact CG2-CG 4.49Å; R61-G64 VanDerWaalsContact CZ-O 3.3Å; R61-G64 PolarHBondContact NE-O 2.88Å; R61-G64 PolarHBondContact NH2-O 3.49Å; R61-E65 CarbonylContact C-O 3.6Å; R61-E65 WeakPolarHBondContact CA-O 3.38Å; R61-E65 WeakPolarHBondContact CB-O 3.39Å; R61-L66 HydrophobicContact CG-CD1 4.33Å
62V95.2Very high93.7Very high10 Ų1072 Ų726%0.06140%0.397CS..EExtended strand (participates in β ladder)trans-122123.8173.2174.50000108W10 L44 E48 L60 G64 E65 I67W10-V62 HydrophobicContact CH2-CG2 4.24Å; L44-V62 HydrophobicContact CD1-CG1 4.37Å; L44-V62 HydrophobicContact CD1-CG2 3.98Å; L44-V62 HydrophobicContact CD2-CG1 3.63Å; E48-V62 WeakPolarHBondContact O-CA 3.35Å; L60-V62 HydrophobicContact CD1-CG2 3.76Å; V62-G64 PolarHBondContact O-N 2.92Å; V62-E65 PolarHBondContact N-O 2.8Å; V62-E65 PolarHBondContact O-N 3.29Å; V62-I67 HydrophobicContact CB-CD1 4.27Å; V62-I67 HydrophobicContact CB-CG1 4.16Å; V62-I67 HydrophobicContact CG2-CD1 4.37Å; V62-I67 HydrophobicContact CG2-CG1 3.82Å
63N92.4Very high93.8Very high115 Ų11571 Ų7162%0.61539%0.391SS*.THydrogen-bonded Turntrans50.532.8-177.9-66.1-38.3000114.1E48E48-N63 WeakPolarHBondContact CG-OD1 3.17Å; E48-N63 PolarHBondContact O-N 3.19Å; E48-N63 VanDerWaalsContact O-N 3.14Å
64G91.5Very high93.9Very high41 Ų4165.3 Ų65.342%0.42336%0.362SS..THydrogen-bonded Turntrans90.5-16.9-178.100000115.4R61 V62R61-G64 VanDerWaalsContact CZ-O 3.3Å; R61-G64 PolarHBondContact NE-O 2.88Å; R61-G64 PolarHBondContact NH2-O 3.49Å; V62-G64 PolarHBondContact O-N 2.92Å
65E94.1Very high94.2Very high140 Ų14060.2 Ų60.265%0.65434%0.338SS*.EExtended strand (participates in β ladder)trans-82.1135.4178.3-61.3-172.8165.100111.7R61 V62 I67R61-E65 CarbonylContact C-O 3.6Å; R61-E65 WeakPolarHBondContact CA-O 3.38Å; R61-E65 WeakPolarHBondContact CB-O 3.39Å; V62-E65 PolarHBondContact N-O 2.8Å; V62-E65 PolarHBondContact O-N 3.29Å; E65-I67 PolarHBondContact O-N 3.22Å
66L93.6Very high94.3Very high103 Ų10352.3 Ų52.354%0.53930%0.296SS..EExtended strand (participates in β ladder)trans-70.4126.7173.6178.666.9000110.5R61 T68R61-L66 HydrophobicContact CG-CD1 4.33Å; L66-T68 HydrophobicContact CD2-CG2 4.06Å; L66-T68 HydrophobicContact CG-CG2 4.15Å
67I93.9Very high94.3Very high10 Ų1049.6 Ų49.65%0.05127%0.265CS..EExtended strand (participates in β ladder)trans-93.8117.7173.2-56.6-51.5000109W10 L60 V62 E65 Y70W10-I67 HydrophobicContact CH2-CG1 4.46Å; W10-I67 HydrophobicContact CH2-CG2 4.18Å; W10-I67 HydrophobicContact CZ2-CG2 4.2Å; L60-I67 HydrophobicContact CD1-CB 3.56Å; L60-I67 HydrophobicContact CD1-CG1 3.48Å; L60-I67 VanDerWaalsContact CD1-CG1 3.48Å; L60-I67 HydrophobicContact CD1-CG2 4.17Å; L60-I67 HydrophobicContact CG-CB 3.97Å; L60-I67 HydrophobicContact CG-CG1 4.42Å; L60-I67 HydrophobicContact CG-CG2 4.47Å; L60-I67 PolarHBondContact O-N 3.44Å; V62-I67 HydrophobicContact CB-CD1 4.27Å; V62-I67 HydrophobicContact CB-CG1 4.16Å; V62-I67 HydrophobicContact CG2-CD1 4.37Å; V62-I67 HydrophobicContact CG2-CG1 3.82Å; E65-I67 PolarHBondContact O-N 3.22Å; I67-Y70 HydrophobicContact CB-CE1 4.41Å; I67-Y70 HydrophobicContact CG2-CD1 3.97Å; I67-Y70 HydrophobicContact CG2-CE1 4.07Å; I67-Y70 WeakPolarHBondContact O-CE1 3.3Å; I67-Y70 PolarHBondContact O-OH 3.24Å
68T89.3Confident94.1Very high114 Ų11444.3 Ų44.370%0.69924%0.237SC*.  trans-103.3-2.9178.854.30000112.9L66L66-T68 HydrophobicContact CD2-CG2 4.06Å; L66-T68 HydrophobicContact CG-CG2 4.15Å
69A89Confident93.4Very high36 Ų3641.9 Ų41.930%0.29823%0.225SC..SBendtrans-139.8101.4-175.300000110.4
70Y91.1Very high92.4Very high71 Ų7142.4 Ų42.428%0.27823%0.226SC..  trans-82.5156.8-168.5-52.5-51.4000113.4L60 I67 Q72 M98L60-Y70 HydrophobicContact CD2-CD1 3.67Å; L60-Y70 HydrophobicContact CD2-CE1 3.86Å; L60-Y70 HydrophobicContact CG-CD1 4.3Å; L60-Y70 HydrophobicContact CG-CE1 4.03Å; I67-Y70 HydrophobicContact CB-CE1 4.41Å; I67-Y70 HydrophobicContact CG2-CD1 3.97Å; I67-Y70 HydrophobicContact CG2-CE1 4.07Å; I67-Y70 WeakPolarHBondContact O-CE1 3.3Å; I67-Y70 PolarHBondContact O-OH 3.24Å; Y70-Q72 PolarHBondContact O-NE2 3.41Å; Y70-M98 HydrophobicContact CD1-CE 3.71Å; Y70-M98 HydrophobicContact CD2-CE 3.99Å; Y70-M98 HydrophobicContact CE1-CE 3.3Å; Y70-M98 HydrophobicContact CE2-CE 3.6Å; Y70-M98 HydrophobicContact CG-CE 4.06Å
71P94.5Very high90.9Very high4 Ų444 Ų443%0.02624%0.236CC..  trans-66.5143.3170.830-36000111.8R8 W10 V74 C100R8-P71 HydrophobicContact CB-CB 4.31Å; W10-P71 HydrophobicContact CB-CB 4.14Å; W10-P71 HydrophobicContact CB-CG 4.37Å; W10-P71 HydrophobicContact CD2-CB 3.88Å; W10-P71 HydrophobicContact CD2-CG 3.54Å; W10-P71 HydrophobicContact CE3-CG 3.72Å; W10-P71 HydrophobicContact CG-CB 3.66Å; W10-P71 HydrophobicContact CG-CG 3.84Å; W10-P71 HydrophobicContact CZ2-CG 4.43Å; W10-P71 HydrophobicContact CZ3-CG 4.26Å; P71-V74 HydrophobicContact CB-CG2 3.96Å; P71-V74 HydrophobicContact CG-CG2 3.54Å; P71-C100 PolarHBondContact O-SG 2.85Å; P71-C100 VanDerWaalsContact O-SG 3.34Å
72Q95.6Very high89.4Confident90 Ų9046.5 Ų46.542%0.42125%0.246SC..SBendtrans-80.5-34.7166.9-71.574.14300110.6R8 Y70 R101 L307R8-Q72 PolarHBondContact O-N 2.88Å; Y70-Q72 PolarHBondContact O-NE2 3.41Å; Q72-R101 VanDerWaalsContact O-CB 3.29Å; Q72-R101 WeakPolarHBondContact O-CB 3.39Å; Q72-R101 PolarHBondContact O-N 3.39Å; Q72-L307 HydrophobicContact CB-CD2 3.64Å
73V97.8Very high87.9Confident1 Ų146.2 Ų46.21%0.00624%0.244CC..EExtended strand (participates in β ladder)trans-127.2136.8179.8175.70000110.4R8 L9 W10 R101 M103 A303 L306 L307R8-V73 PolarHBondContact O-N 3.25Å; L9-V73 WeakPolarHBondContact CA-O 3.46Å; L9-V73 HydrophobicContact CG-CG1 4.49Å; W10-V73 PolarHBondContact N-O 2.8Å; V73-R101 WeakPolarHBondContact CA-O 3.47Å; V73-R101 HydrophobicContact CG2-CB 4.32Å; V73-M103 HydrophobicContact CG1-SD 4.03Å; V73-A303 HydrophobicContact CG1-CB 4.38Å; V73-L306 HydrophobicContact CG2-CB 3.63Å; V73-L307 HydrophobicContact CB-CD2 3.9Å; V73-L307 HydrophobicContact CB-CG 4.38Å; V73-L307 HydrophobicContact CG2-CD2 3.53Å; V73-L307 HydrophobicContact CG2-CG 3.92Å
74V98.3Very high86.2Confident0 Ų045.2 Ų45.20%024%0.236CC..EExtended strand (participates in β ladder)trans-126.7113.3175.4-174.10000109.1W10 L12 P71 V76 C100 R101 L102 M103W10-V74 HydrophobicContact CB-CG1 4.31Å; W10-V74 HydrophobicContact CB-CG2 4.32Å; W10-V74 CarbonylContact O-C 3.55Å; W10-V74 WeakPolarHBondContact O-CA 3.42Å; L12-V74 HydrophobicContact CB-CG1 3.71Å; L12-V74 HydrophobicContact CD2-CG1 4.16Å; P71-V74 HydrophobicContact CB-CG2 3.96Å; P71-V74 HydrophobicContact CG-CG2 3.54Å; V74-V76 HydrophobicContact CG1-CG2 4.01Å; V74-V76 PolarHBondContact O-N 3.5Å; V74-C100 HydrophobicContact CG2-CB 4.01Å; V74-R101 PolarHBondContact N-O 3.37Å; V74-L102 HydrophobicContact CB-CD1 4.14Å; V74-L102 HydrophobicContact CB-CG 4.17Å; V74-L102 HydrophobicContact CG2-CD1 4.22Å; V74-L102 CarbonylContact O-C 3.6Å; V74-L102 WeakPolarHBondContact O-CA 3.46Å; V74-M103 PolarHBondContact O-N 3.22Å
75V98.3Very high84.9Confident3 Ų345.4 Ų45.42%0.01823%0.231CC..EExtended strand (participates in β ladder)trans-83114.3170.8-178.40000108.4L9 W10 F11 L12 I26 L30 M103 I299 A303L9-V75 HydrophobicContact CD2-CG2 4.33Å; W10-V75 PolarHBondContact O-N 3.21Å; F11-V75 WeakPolarHBondContact CA-O 3.45Å; F11-V75 HydrophobicContact CD2-CB 4.2Å; F11-V75 HydrophobicContact CD2-CG1 4.1Å; F11-V75 HydrophobicContact CE2-CG1 4.43Å; L12-V75 PolarHBondContact N-O 3.03Å; I26-V75 HydrophobicContact CG2-CG1 4.09Å; L30-V75 HydrophobicContact CD1-CB 3.9Å; L30-V75 HydrophobicContact CD1-CG1 4.11Å; L30-V75 HydrophobicContact CD1-CG2 3.96Å; L30-V75 HydrophobicContact CD2-CG2 4.11Å; V75-M103 HydrophobicContact CG2-CE 4.25Å; V75-M103 HydrophobicContact CG2-SD 4.21Å; V75-I299 HydrophobicContact CG1-CG2 4.39Å; V75-A303 HydrophobicContact CG2-CB 3.59Å
76V96.3Very high84Confident2 Ų245.3 Ų45.31%0.01224%0.235CC..EExtended strand (participates in β ladder)trans-101.9127.1-172.2176.80000109.7L12 M46 V74 V78 L92 L102 M103 I109L12-V76 WeakPolarHBondContact O-CA 3.33Å; M46-V76 HydrophobicContact CE-CG1 4.47Å; V74-V76 HydrophobicContact CG1-CG2 4.01Å; V74-V76 PolarHBondContact O-N 3.5Å; V76-V78 HydrophobicContact CG1-CG1 3.94Å; V76-V78 HydrophobicContact CG1-CG2 4.24Å; V76-L92 HydrophobicContact CB-CD2 4.24Å; V76-L92 HydrophobicContact CG1-CD1 3.92Å; V76-L92 HydrophobicContact CG1-CD2 3.57Å; V76-L92 HydrophobicContact CG1-CG 4.41Å; V76-L92 HydrophobicContact CG2-CD2 3.56Å; V76-L102 HydrophobicContact CG2-CB 4.17Å; V76-L102 HydrophobicContact CG2-CD2 4.19Å; V76-L102 HydrophobicContact CG2-CG 3.94Å; V76-M103 PolarHBondContact N-O 3.09Å; V76-I109 HydrophobicContact CG1-CD1 3.84Å
77R93.9Very high83.3Confident9 Ų943.7 Ų43.73%0.03423%0.232CC..EExtended strand (participates in β ladder)trans-128.8106.5171.2-67.1-59-60.4-163.7-6.1110.5F11 L12 T13 Q23 I26 N281 V282F11-R77 HydrophobicContact CE2-CB 4.22Å; F11-R77 HydrophobicContact CE2-CG 3.61Å; F11-R77 HydrophobicContact CZ-CB 4.26Å; F11-R77 HydrophobicContact CZ-CG 4.02Å; L12-R77 PolarHBondContact O-N 3.16Å; T13-R77 VanDerWaalsContact CA-O 3.28Å; T13-R77 WeakPolarHBondContact CA-O 3.05Å; T13-R77 PolarHBondContact OG1-O 3.47Å; Q23-R77 HydrophobicContact CG-CB 4.04Å; Q23-R77 HydrophobicContact CG-CG 4.45Å; I26-R77 HydrophobicContact CD1-CG 4.24Å; R77-N281 WeakPolarHBondContact CA-OD1 3.4Å; R77-V282 PolarHBondContact NH1-O 3Å; R77-V282 PolarHBondContact NH2-O 3.34Å
78V89.4Confident83Confident0 Ų043.5 Ų43.50%023%0.231CC..  trans-126.5151.9-176.7-69.80000111.5I17 M46 V76 T80 V83 L92 I109 N281I17-V78 VanDerWaalsContact CD1-C 3.49Å; M46-V78 HydrophobicContact CE-CG1 3.36Å; V76-V78 HydrophobicContact CG1-CG1 3.94Å; V76-V78 HydrophobicContact CG1-CG2 4.24Å; V78-T80 PolarHBondContact O-N 3.48Å; V78-V83 HydrophobicContact CB-CG2 3.72Å; V78-V83 HydrophobicContact CG2-CG2 3.61Å; V78-L92 HydrophobicContact CG1-CD1 4.36Å; V78-I109 HydrophobicContact CG2-CD1 3.88Å; V78-I109 HydrophobicContact CG2-CG1 4.47Å; V78-I109 HydrophobicContact CG2-CG2 3.99Å; V78-N281 PolarHBondContact N-OD1 2.94Å; V78-N281 WeakPolarHBondContact O-CB 3.28Å; V78-N281 PolarHBondContact O-ND2 3.34Å; V78-N281 VanDerWaalsContact O-ND2 3.13Å; V78-N281 PolarHBondContact O-OD1 3.29Å
79P81.9Confident83Confident11 Ų1139 Ų397%0.07120%0.203CC..  trans-77.480.9-177.231-34.9000110.7I17 P81 W82 V83I17-P79 HydrophobicContact CD1-CB 4.26Å; I17-P79 HydrophobicContact CG1-CB 4.45Å; I17-P79 HydrophobicContact CG2-CB 3.85Å; P79-P81 VanDerWaalsContact C-N 3.33Å; P79-P81 VanDerWaalsContact O-CD 3.23Å; P79-P81 WeakPolarHBondContact O-CD 3.47Å; P79-W82 HydrophobicContact CB-CB 4.32Å; P79-W82 HydrophobicContact CG-CB 4.19Å; P79-W82 CarbonylContact O-C 3.53Å; P79-W82 WeakPolarHBondContact O-CA 3.32Å; P79-W82 PolarHBondContact O-N 3.06Å; P79-V83 WeakPolarHBondContact O-CG2 3.39Å; P79-V83 PolarHBondContact O-N 2.88Å
80T73.8Confident83.2Confident20 Ų2040.7 Ų40.712%0.12321%0.209CC..G310 helixtrans-36.1-46.2-168.9-44.60000116.7V78 W82 V83 C112 V113 N281V78-T80 PolarHBondContact O-N 3.48Å; T80-W82 PolarHBondContact O-N 3.43Å; T80-V83 PolarHBondContact O-N 3.46Å; T80-C112 HydrophobicContact CG2-CB 4.44Å; T80-V113 HydrophobicContact CG2-CG2 4.13Å; T80-N281 WeakPolarHBondContact OG1-CB 3.05Å; T80-N281 PolarHBondContact OG1-ND2 3.24Å
81P63.6Low83.3Confident33 Ų3337.8 Ų37.821%0.21420%0.199CC..G310 helixtrans-63.5-24.5179.3-20.233.8000114.4P79 Q84 H163P79-P81 VanDerWaalsContact C-N 3.33Å; P79-P81 VanDerWaalsContact O-CD 3.23Å; P79-P81 WeakPolarHBondContact O-CD 3.47Å; P81-Q84 PolarHBondContact O-NE2 2.85Å; P81-H163 HydrophobicContact CG-CB 3.77Å; P81-H163 WeakPolarHBondContact CG-ND1 3.27Å
82W65Low83.4Confident163 Ų16337.6 Ų37.662%0.61720%0.198SC*.G310 helixtrans-112.38.6-173-50.897.2000113.2R16 P79 T80 Q84R16-W82 PolarHBondContact NH1-O 2.93Å; P79-W82 HydrophobicContact CB-CB 4.32Å; P79-W82 HydrophobicContact CG-CB 4.19Å; P79-W82 CarbonylContact O-C 3.53Å; P79-W82 WeakPolarHBondContact O-CA 3.32Å; P79-W82 PolarHBondContact O-N 3.06Å; T80-W82 PolarHBondContact O-N 3.43Å; W82-Q84 PolarHBondContact O-N 3.11Å
83V61.8Low83.4Confident4 Ų439.2 Ų39.22%0.02420%0.2CC..THydrogen-bonded Turntrans-78.564172.4-170.50000108.5V78 P79 T80 D88 I89 I109V78-V83 HydrophobicContact CB-CG2 3.72Å; V78-V83 HydrophobicContact CG2-CG2 3.61Å; P79-V83 WeakPolarHBondContact O-CG2 3.39Å; P79-V83 PolarHBondContact O-N 2.88Å; T80-V83 PolarHBondContact O-N 3.46Å; V83-D88 HydrophobicContact CG1-CB 4.03Å; V83-I89 HydrophobicContact CG1-CD1 3.5Å; V83-I89 VanDerWaalsContact CG1-CD1 3.5Å; V83-I89 HydrophobicContact CG1-CG1 3.8Å; V83-I109 HydrophobicContact CG1-CG2 4.27Å; V83-I109 HydrophobicContact CG2-CG2 4.4Å
84Q58.2Low83.3Confident94 Ų9440.1 Ų40.144%0.43920%0.204SC..THydrogen-bonded Turntrans-130.9-7.2-176.3-60.4-156.525.400113.3P81 W82 D86P81-Q84 PolarHBondContact O-NE2 2.85Å; W82-Q84 PolarHBondContact O-N 3.11Å; Q84-D86 PolarHBondContact O-N 3.25Å
85S63Low83.2Confident46 Ų4640.1 Ų40.132%0.32220%0.204SC..SBendtrans-67.4125.315843.30000107.9S87 D88S85-S87 WeakPolarHBondContact CB-OG 3.41Å; S85-S87 PolarHBondContact O-N 3.14Å; S85-S87 PolarHBondContact OG-OG 3.02Å; S85-S87 VanDerWaalsContact OG-OG 3.13Å; S85-D88 PolarHBondContact O-N 3.21Å; S85-D88 VanDerWaalsContact O-N 3.1Å; S85-D88 PolarHBondContact OG-OD1 3.49Å; S85-D88 PolarHBondContact OG-OD2 3.17Å
86D75.3Confident83.1Confident137 Ų13743.1 Ų43.173%0.73322%0.218SC*.Hα-helixtrans-51.9-26.4170.3-76.8-34.5000111Q84 D88 T90Q84-D86 PolarHBondContact O-N 3.25Å; D86-D88 PolarHBondContact O-N 2.78Å; D86-T90 WeakPolarHBondContact O-CA 3.26Å; D86-T90 WeakPolarHBondContact O-CB 3.47Å; D86-T90 PolarHBondContact O-N 3.25Å; D86-T90 PolarHBondContact O-OG1 2.62Å
87S80.1Confident83.1Confident70 Ų7050.1 Ų50.149%0.4925%0.248SC..Hα-helixtrans-51.2-51.5173.463.40000113.8S85 T90 V91S85-S87 WeakPolarHBondContact CB-OG 3.41Å; S85-S87 PolarHBondContact O-N 3.14Å; S85-S87 PolarHBondContact OG-OG 3.02Å; S85-S87 VanDerWaalsContact OG-OG 3.13Å; S87-T90 PolarHBondContact O-N 3.47Å; S87-V91 VanDerWaalsContact O-CG2 3.3Å; S87-V91 WeakPolarHBondContact O-CG2 3.43Å; S87-V91 PolarHBondContact O-N 3.49Å
88D86.5Confident83.1Confident6 Ų651.4 Ų51.43%0.03226%0.255CS..Hα-helixtrans-68.4-47.6-170.3-606.2000109.5R16 V83 S85 D86 T90 V91 L92R16-D88 IonicContact CZ-OD2 3.83Å; R16-D88 IonicContact NH2-OD1 3.3Å; R16-D88 IonicContact NH2-OD2 2.97Å; R16-D88 PolarHBondContact NH2-OD2 3.3Å; V83-D88 HydrophobicContact CG1-CB 4.03Å; S85-D88 PolarHBondContact O-N 3.21Å; S85-D88 VanDerWaalsContact O-N 3.1Å; S85-D88 PolarHBondContact OG-OD1 3.49Å; S85-D88 PolarHBondContact OG-OD2 3.17Å; D86-D88 PolarHBondContact O-N 2.78Å; D88-T90 VanDerWaalsContact C-N 3.3Å; D88-T90 PolarHBondContact O-N 2.83Å; D88-V91 PolarHBondContact O-N 2.86Å; D88-L92 VanDerWaalsContact O-CG 3.26Å; D88-L92 WeakPolarHBondContact O-CG 3.21Å; D88-L92 PolarHBondContact O-N 3.47Å; D88-L92 VanDerWaalsContact O-N 3.08Å
89I90.1Very high83.3Confident20 Ų2054.5 Ų54.510%0.10329%0.287CS..Hα-helixtrans-67.2-33176.9-65.6-61.5000111V83 L92 R93 L110V83-I89 HydrophobicContact CG1-CD1 3.5Å; V83-I89 VanDerWaalsContact CG1-CD1 3.5Å; V83-I89 HydrophobicContact CG1-CG1 3.8Å; I89-L92 PolarHBondContact O-N 2.99Å; I89-R93 VanDerWaalsContact CG2-CD 3.5Å; I89-R93 HydrophobicContact CG2-CG 4.04Å; I89-R93 VanDerWaalsContact O-CB 3.22Å; I89-R93 WeakPolarHBondContact O-CB 3.21Å; I89-R93 WeakPolarHBondContact O-CG 3.45Å; I89-R93 PolarHBondContact O-N 2.8Å; I89-L110 HydrophobicContact CD1-CD1 4.36Å; I89-L110 HydrophobicContact CD1-CD2 3.74Å; I89-L110 HydrophobicContact CD1-CG 3.86Å; I89-L110 HydrophobicContact CG1-CD2 4.04Å; I89-L110 HydrophobicContact CG2-CD1 4.36Å
90T92.7Very high84Confident71 Ų7154.3 Ų54.344%0.43629%0.286SS..Hα-helixtrans-67.7-44.7176.6-63.60000111.4L51 D86 S87 D88 L92 R93 H94L51-T90 HydrophobicContact CD1-CG2 3.69Å; D86-T90 WeakPolarHBondContact O-CA 3.26Å; D86-T90 WeakPolarHBondContact O-CB 3.47Å; D86-T90 PolarHBondContact O-N 3.25Å; D86-T90 PolarHBondContact O-OG1 2.62Å; S87-T90 PolarHBondContact O-N 3.47Å; D88-T90 VanDerWaalsContact C-N 3.3Å; D88-T90 PolarHBondContact O-N 2.83Å; T90-L92 PolarHBondContact O-N 3.5Å; T90-R93 PolarHBondContact O-N 2.93Å; T90-H94 WeakPolarHBondContact O-CB 3.4Å; T90-H94 PolarHBondContact O-N 3.45Å
91V94.3Very high85.1Confident10 Ų1057.8 Ų57.86%0.06130%0.297CS..Hα-helixtrans-59.1-48.4173.9176.10000110.5L12 M46 V49 L51 S87 D88 H94 L95L12-V91 HydrophobicContact CD2-CG1 4.16Å; M46-V91 HydrophobicContact SD-CB 4.02Å; M46-V91 HydrophobicContact SD-CG1 3.71Å; V49-V91 HydrophobicContact CB-CG1 4.3Å; V49-V91 HydrophobicContact CG1-CG1 4.2Å; L51-V91 HydrophobicContact CD1-CG2 4.12Å; L51-V91 HydrophobicContact CD2-CG2 4.45Å; L51-V91 HydrophobicContact CG-CG2 4.47Å; S87-V91 VanDerWaalsContact O-CG2 3.3Å; S87-V91 WeakPolarHBondContact O-CG2 3.43Å; S87-V91 PolarHBondContact O-N 3.49Å; D88-V91 PolarHBondContact O-N 2.86Å; V91-H94 PolarHBondContact O-N 3.45Å; V91-L95 HydrophobicContact CG1-CD1 4.14Å; V91-L95 WeakPolarHBondContact O-CG 3.39Å; V91-L95 PolarHBondContact O-N 3.4Å
92L95Very high86.7Confident0 Ų056.4 Ų56.40%029%0.288CS..Hα-helixtrans-64.6-44.4-179.1-67.4178.3000112.8L12 M46 V76 V78 D88 I89 T90 H94 L95 E96 L102 P106 I109L12-L92 HydrophobicContact CD2-CD2 4.03Å; M46-L92 HydrophobicContact CE-CD1 4.24Å; M46-L92 HydrophobicContact CE-CD2 3.66Å; M46-L92 HydrophobicContact CE-CG 3.88Å; V76-L92 HydrophobicContact CB-CD2 4.24Å; V76-L92 HydrophobicContact CG1-CD1 3.92Å; V76-L92 HydrophobicContact CG1-CD2 3.57Å; V76-L92 HydrophobicContact CG1-CG 4.41Å; V76-L92 HydrophobicContact CG2-CD2 3.56Å; V78-L92 HydrophobicContact CG1-CD1 4.36Å; D88-L92 VanDerWaalsContact O-CG 3.26Å; D88-L92 WeakPolarHBondContact O-CG 3.21Å; D88-L92 PolarHBondContact O-N 3.47Å; D88-L92 VanDerWaalsContact O-N 3.08Å; I89-L92 PolarHBondContact O-N 2.99Å; T90-L92 PolarHBondContact O-N 3.5Å; L92-H94 VanDerWaalsContact C-N 3.34Å; L92-L95 PolarHBondContact O-N 2.79Å; L92-E96 WeakPolarHBondContact O-CB 3.16Å; L92-E96 PolarHBondContact O-N 2.76Å; L92-L102 HydrophobicContact CB-CD2 3.99Å; L92-L102 HydrophobicContact CD2-CD2 3.76Å; L92-L102 WeakPolarHBondContact O-CD2 3.37Å; L92-P106 HydrophobicContact CB-CB 4.17Å; L92-P106 HydrophobicContact CB-CG 3.92Å; L92-I109 HydrophobicContact CD1-CD1 3.82Å
93R95.4Very high88.2Confident124 Ų12448.8 Ų48.847%0.46826%0.259SS..Hα-helixtrans-64.6-37.8175.2-74.9171.466.790.4-4.8111.9I89 T90 E96 K97 P106I89-R93 VanDerWaalsContact CG2-CD 3.5Å; I89-R93 HydrophobicContact CG2-CG 4.04Å; I89-R93 VanDerWaalsContact O-CB 3.22Å; I89-R93 WeakPolarHBondContact O-CB 3.21Å; I89-R93 WeakPolarHBondContact O-CG 3.45Å; I89-R93 PolarHBondContact O-N 2.8Å; T90-R93 PolarHBondContact O-N 2.93Å; R93-E96 PolarHBondContact O-N 3.11Å; R93-K97 WeakPolarHBondContact O-CB 3.34Å; R93-K97 WeakPolarHBondContact O-CG 3.48Å; R93-K97 PolarHBondContact O-N 3.39Å; R93-P106 HydrophobicContact CG-CB 4.02Å; R93-P106 HydrophobicContact CG-CG 4.19Å
94H96.5Very high89.9Confident20 Ų2048.7 Ų48.79%0.09326%0.258CS..Hα-helixtrans-64.4-48.6178.5-169.9106.9000110.5L51 T52 G59 T90 V91 L92 E96 K97 M98L51-H94 HydrophobicContact CD1-CB 3.87Å; L51-H94 HydrophobicContact CD2-CB 3.96Å; L51-H94 HydrophobicContact CG-CB 4.42Å; T52-H94 PolarHBondContact O-CE1 2.82Å; G59-H94 PolarHBondContact O-NE2 3.07Å; G59-H94 VanDerWaalsContact O-NE2 3.09Å; T90-H94 WeakPolarHBondContact O-CB 3.4Å; T90-H94 PolarHBondContact O-N 3.45Å; V91-H94 PolarHBondContact O-N 3.45Å; L92-H94 VanDerWaalsContact C-N 3.34Å; H94-E96 PolarHBondContact O-N 2.97Å; H94-K97 CarbonylContact O-C 3.56Å; H94-K97 PolarHBondContact O-N 3.08Å; H94-K97 VanDerWaalsContact O-N 3.12Å; H94-M98 PolarHBondContact CD2-SD 3.47Å; H94-M98 PolarHBondContact NE2-SD 2.89Å; H94-M98 WeakPolarHBondContact O-CG 3.17Å; H94-M98 PolarHBondContact O-N 3.21Å
95L96.6Very high91.6Very high0 Ų048.5 Ų48.50%025%0.254CS..Hα-helixtrans-59.9-42.5174.9-67.2170.1000112.5L12 L60 V91 L92 K97 M98 G99 C100 L102L12-L95 HydrophobicContact CD2-CD1 3.48Å; L12-L95 VanDerWaalsContact CD2-CD1 3.48Å; L60-L95 HydrophobicContact CD2-CD2 3.89Å; V91-L95 HydrophobicContact CG1-CD1 4.14Å; V91-L95 WeakPolarHBondContact O-CG 3.39Å; V91-L95 PolarHBondContact O-N 3.4Å; L92-L95 PolarHBondContact O-N 2.79Å; L95-K97 VanDerWaalsContact C-N 3.32Å; L95-K97 PolarHBondContact O-N 2.85Å; L95-M98 PolarHBondContact O-N 3.14Å; L95-G99 PolarHBondContact O-N 2.93Å; L95-C100 HydrophobicContact CB-CB 4.33Å; L95-C100 WeakPolarHBondContact O-CB 3.47Å; L95-C100 PolarHBondContact O-N 3.47Å; L95-C100 VanDerWaalsContact O-N 3.11Å; L95-C100 PolarHBondContact O-SG 3.3Å; L95-L102 HydrophobicContact CB-CD1 3.95Å
96E96.1Very high93.1Very high66 Ų6646.4 Ų46.431%0.30824%0.239SC..Hα-helixtrans-60.6-40.5174.1-175.1178.8-122.200111.8L92 R93 H94 M98 G99 L102 P106L92-E96 WeakPolarHBondContact O-CB 3.16Å; L92-E96 PolarHBondContact O-N 2.76Å; R93-E96 PolarHBondContact O-N 3.11Å; H94-E96 PolarHBondContact O-N 2.97Å; E96-M98 VanDerWaalsContact C-N 3.33Å; E96-M98 PolarHBondContact O-N 3.26Å; E96-G99 PolarHBondContact O-N 3.25Å; E96-L102 HydrophobicContact CB-CD2 4.47Å; E96-P106 HydrophobicContact CB-CG 4.2Å; E96-P106 WeakPolarHBondContact OE1-CD 3.49Å
97K95.9Very high94Very high149 Ų14943.7 Ų43.765%0.64822%0.222SC*.Hα-helixtrans-72.2-22.5177.4-69.9-69.2176.8-172.50114L58 R93 H94 L95 G99L58-K97 HydrophobicContact CD1-CB 3.58Å; R93-K97 WeakPolarHBondContact O-CB 3.34Å; R93-K97 WeakPolarHBondContact O-CG 3.48Å; R93-K97 PolarHBondContact O-N 3.39Å; H94-K97 CarbonylContact O-C 3.56Å; H94-K97 PolarHBondContact O-N 3.08Å; H94-K97 VanDerWaalsContact O-N 3.12Å; L95-K97 VanDerWaalsContact C-N 3.32Å; L95-K97 PolarHBondContact O-N 2.85Å; K97-G99 PolarHBondContact O-N 3.05Å
98M94.4Very high94.6Very high35 Ų3540.4 Ų40.417%0.17220%0.198CC..THydrogen-bonded Turntrans-76.6-2167.8-64.2177.192.600113.2L58 L60 Y70 H94 L95 E96L58-M98 HydrophobicContact CB-CE 4.43Å; L58-M98 HydrophobicContact CB-CG 3.78Å; L58-M98 HydrophobicContact CB-SD 4.48Å; L58-M98 HydrophobicContact CD1-CG 3.94Å; L60-M98 HydrophobicContact CD2-CE 3.98Å; L60-M98 HydrophobicContact CD2-SD 3.8Å; L60-M98 HydrophobicContact CG-CE 4.48Å; Y70-M98 HydrophobicContact CD1-CE 3.71Å; Y70-M98 HydrophobicContact CD2-CE 3.99Å; Y70-M98 HydrophobicContact CE1-CE 3.3Å; Y70-M98 HydrophobicContact CE2-CE 3.6Å; Y70-M98 HydrophobicContact CG-CE 4.06Å; H94-M98 PolarHBondContact CD2-SD 3.47Å; H94-M98 PolarHBondContact NE2-SD 2.89Å; H94-M98 WeakPolarHBondContact O-CG 3.17Å; H94-M98 PolarHBondContact O-N 3.21Å; L95-M98 PolarHBondContact O-N 3.14Å; E96-M98 VanDerWaalsContact C-N 3.33Å; E96-M98 PolarHBondContact O-N 3.26Å
99G93.7Very high94.9Very high66 Ų6640.1 Ų40.168%0.6820%0.197SC*.THydrogen-bonded Turntrans91.58178.100000114.8L95 E96 K97L95-G99 PolarHBondContact O-N 2.93Å; E96-G99 PolarHBondContact O-N 3.25Å; K97-G99 PolarHBondContact O-N 3.05Å
100C95.9Very high95Very high7 Ų741.1 Ų41.15%0.04720%0.203CC..  trans-70.9137.6177.6-53.30000111P71 V74 L95 L102P71-C100 PolarHBondContact O-SG 2.85Å; P71-C100 VanDerWaalsContact O-SG 3.34Å; V74-C100 HydrophobicContact CG2-CB 4.01Å; L95-C100 HydrophobicContact CB-CB 4.33Å; L95-C100 WeakPolarHBondContact O-CB 3.47Å; L95-C100 PolarHBondContact O-N 3.47Å; L95-C100 VanDerWaalsContact O-N 3.11Å; L95-C100 PolarHBondContact O-SG 3.3Å; C100-L102 HydrophobicContact CB-CD1 3.7Å; C100-L102 VanDerWaalsContact O-CD1 3.28Å; C100-L102 WeakPolarHBondContact O-CD1 3.24Å; C100-L102 PolarHBondContact O-N 3.39Å
101R96.8Very high95Very high93 Ų9338.2 Ų38.235%0.35118%0.184SC..EExtended strand (participates in β ladder)trans-84101.5173.7-178.657.1171.489.45.9110.7Q72 V73 V74 D259 L306Q72-R101 VanDerWaalsContact O-CB 3.29Å; Q72-R101 WeakPolarHBondContact O-CB 3.39Å; Q72-R101 PolarHBondContact O-N 3.39Å; V73-R101 WeakPolarHBondContact CA-O 3.47Å; V73-R101 HydrophobicContact CG2-CB 4.32Å; V74-R101 PolarHBondContact N-O 3.37Å; R101-D259 IonicContact CZ-OD1 3.5Å; R101-D259 IonicContact CZ-OD2 3.54Å; R101-D259 IonicContact NH1-OD1 2.69Å; R101-D259 PolarHBondContact NH1-OD1 3.19Å; R101-D259 IonicContact NH1-OD2 3.61Å; R101-D259 PolarHBondContact NH1-OD2 3.32Å; R101-D259 IonicContact NH2-OD1 2.68Å; R101-D259 PolarHBondContact NH2-OD1 3.13Å; R101-D259 IonicContact NH2-OD2 3.48Å; R101-D259 PolarHBondContact NH2-OD2 3.27Å; R101-L306 HydrophobicContact CG-CD1 4.09Å
102L97.5Very high94.8Very high3 Ų338.4 Ų38.42%0.01619%0.186CC..EExtended strand (participates in β ladder)trans-85.9135.1-179.5-84.162.4000112.3V74 V76 L92 L95 E96 C100 N104 R105 P106V74-L102 HydrophobicContact CB-CD1 4.14Å; V74-L102 HydrophobicContact CB-CG 4.17Å; V74-L102 HydrophobicContact CG2-CD1 4.22Å; V74-L102 CarbonylContact O-C 3.6Å; V74-L102 WeakPolarHBondContact O-CA 3.46Å; V76-L102 HydrophobicContact CG2-CB 4.17Å; V76-L102 HydrophobicContact CG2-CD2 4.19Å; V76-L102 HydrophobicContact CG2-CG 3.94Å; L92-L102 HydrophobicContact CB-CD2 3.99Å; L92-L102 HydrophobicContact CD2-CD2 3.76Å; L92-L102 WeakPolarHBondContact O-CD2 3.37Å; L95-L102 HydrophobicContact CB-CD1 3.95Å; E96-L102 HydrophobicContact CB-CD2 4.47Å; C100-L102 HydrophobicContact CB-CD1 3.7Å; C100-L102 VanDerWaalsContact O-CD1 3.28Å; C100-L102 WeakPolarHBondContact O-CD1 3.24Å; C100-L102 PolarHBondContact O-N 3.39Å; L102-N104 CarbonylContact O-C 3.58Å; L102-R105 PolarHBondContact O-N 3.43Å; L102-P106 HydrophobicContact CD2-CG 4.11Å
103M97.1Very high94.4Very high3 Ų338.9 Ų38.92%0.01519%0.189CC..EExtended strand (participates in β ladder)trans-120.797.3174.8-70.2171.449.600110.5V73 V74 V75 V76 D259 V260 Y302 A303 L306V73-M103 HydrophobicContact CG1-SD 4.03Å; V74-M103 PolarHBondContact O-N 3.22Å; V75-M103 HydrophobicContact CG2-CE 4.25Å; V75-M103 HydrophobicContact CG2-SD 4.21Å; V76-M103 PolarHBondContact N-O 3.09Å; M103-D259 HydrophobicContact CB-CB 4.19Å; M103-D259 HydrophobicContact CG-CB 4.02Å; M103-V260 HydrophobicContact CE-CG2 3.97Å; M103-Y302 HydrophobicContact CE-CD1 3.51Å; M103-Y302 HydrophobicContact CE-CE1 3.93Å; M103-Y302 HydrophobicContact SD-CD1 4.14Å; M103-Y302 HydrophobicContact SD-CE1 4.14Å; M103-A303 HydrophobicContact CE-CB 3.88Å; M103-A303 HydrophobicContact SD-CB 3.72Å; M103-L306 HydrophobicContact CG-CD1 3.92Å; M103-L306 HydrophobicContact SD-CD1 3.49Å; M103-L306 WeakPolarHBondContact SD-CD1 3.49Å
104N96.4Very high94.1Very high2 Ų233.4 Ų33.41%0.01117%0.169CC..SBendcis-83.4154.6-3.3-68.7-43.3000111.9L102 A108 I109 M258 D259 V260 A280L102-N104 CarbonylContact O-C 3.58Å; N104-A108 HydrophobicContact CB-CB 4.24Å; N104-I109 HydrophobicContact CB-CD1 4.44Å; N104-I109 HydrophobicContact CB-CG1 4.02Å; N104-M258 WeakPolarHBondContact OD1-CA 2.77Å; N104-D259 WeakPolarHBondContact OD1-CA 3.47Å; N104-D259 WeakPolarHBondContact OD1-CB 3.43Å; N104-D259 PolarHBondContact OD1-N 3.2Å; N104-V260 PolarHBondContact ND2-O 2.95Å; N104-V260 PolarHBondContact OD1-N 3.03Å; N104-V260 VanDerWaalsContact OD1-N 3.08Å; N104-A280 PolarHBondContact ND2-O 3.14Å
105R95.1Very high93.8Very high91 Ų9133.5 Ų33.534%0.34317%0.169SC..  trans-63.6157.3172.367.4175.4-177.5146.62.7112.4L102 Q107 A108 I109L102-R105 PolarHBondContact O-N 3.43Å; R105-Q107 VanDerWaalsContact C-N 3.32Å; R105-Q107 PolarHBondContact O-N 3.08Å; R105-A108 HydrophobicContact CG-CB 3.67Å; R105-A108 PolarHBondContact O-N 2.85Å; R105-A108 VanDerWaalsContact O-N 3.09Å; R105-I109 PolarHBondContact O-N 2.83Å
106P93.6Very high93.6Very high1 Ų135.9 Ų35.91%0.00618%0.179CC..Hα-helixtrans-56.9-43.7-174.9-15.625.9000112.5L92 R93 E96 L102 A108 I109 L110L92-P106 HydrophobicContact CB-CB 4.17Å; L92-P106 HydrophobicContact CB-CG 3.92Å; R93-P106 HydrophobicContact CG-CB 4.02Å; R93-P106 HydrophobicContact CG-CG 4.19Å; E96-P106 HydrophobicContact CB-CG 4.2Å; E96-P106 WeakPolarHBondContact OE1-CD 3.49Å; L102-P106 HydrophobicContact CD2-CG 4.11Å; P106-A108 VanDerWaalsContact C-N 3.33Å; P106-A108 PolarHBondContact O-N 2.84Å; P106-I109 PolarHBondContact O-N 2.72Å; P106-L110 WeakPolarHBondContact O-CG 3.3Å; P106-L110 PolarHBondContact O-N 2.86Å
107Q93.4Very high93.4Very high81 Ų8137.8 Ų37.838%0.37918%0.184SC..Hα-helixtrans-62.5-38.2179.6-16862.546.900112.8R105 I109 L110 N111R105-Q107 VanDerWaalsContact C-N 3.32Å; R105-Q107 PolarHBondContact O-N 3.08Å; Q107-I109 VanDerWaalsContact C-N 3.31Å; Q107-I109 PolarHBondContact O-N 2.74Å; Q107-L110 PolarHBondContact O-N 2.79Å; Q107-N111 PolarHBondContact NE2-OD1 3.06Å; Q107-N111 WeakPolarHBondContact O-CB 3.26Å; Q107-N111 VanDerWaalsContact O-CG 3.25Å; Q107-N111 PolarHBondContact O-N 3.41Å; Q107-N111 PolarHBondContact O-OD1 3.3Å; Q107-N111 VanDerWaalsContact O-OD1 3.07Å
108A94.4Very high93.3Very high0 Ų030.9 Ų30.90%015%0.154CC..Hα-helixtrans-69.8-31.7-179.900000112.1N104 R105 P106 C112 L256 G257 M258N104-A108 HydrophobicContact CB-CB 4.24Å; R105-A108 HydrophobicContact CG-CB 3.67Å; R105-A108 PolarHBondContact O-N 2.85Å; R105-A108 VanDerWaalsContact O-N 3.09Å; P106-A108 VanDerWaalsContact C-N 3.33Å; P106-A108 PolarHBondContact O-N 2.84Å; A108-C112 PolarHBondContact O-SG 2.8Å; A108-L256 WeakPolarHBondContact CA-O 3.14Å; A108-L256 WeakPolarHBondContact CB-O 3.45Å; A108-G257 WeakPolarHBondContact CB-O 3.36Å; A108-M258 HydrophobicContact CB-CG 4.02Å
109I92.8Very high93.4Very high0 Ų029.8 Ų29.80%015%0.148CC..Hα-helixtrans-67.5-51.3170.6-64.6162000109.4V76 V78 V83 L92 N104 R105 P106 Q107 N111 C112 V113 A280V76-I109 HydrophobicContact CG1-CD1 3.84Å; V78-I109 HydrophobicContact CG2-CD1 3.88Å; V78-I109 HydrophobicContact CG2-CG1 4.47Å; V78-I109 HydrophobicContact CG2-CG2 3.99Å; V83-I109 HydrophobicContact CG1-CG2 4.27Å; V83-I109 HydrophobicContact CG2-CG2 4.4Å; L92-I109 HydrophobicContact CD1-CD1 3.82Å; N104-I109 HydrophobicContact CB-CD1 4.44Å; N104-I109 HydrophobicContact CB-CG1 4.02Å; R105-I109 PolarHBondContact O-N 2.83Å; P106-I109 PolarHBondContact O-N 2.72Å; Q107-I109 VanDerWaalsContact C-N 3.31Å; Q107-I109 PolarHBondContact O-N 2.74Å; I109-N111 PolarHBondContact O-N 3.06Å; I109-C112 CarbonylContact O-C 3.57Å; I109-C112 WeakPolarHBondContact O-CA 3.32Å; I109-C112 PolarHBondContact O-N 3Å; I109-V113 WeakPolarHBondContact O-CG2 3.46Å; I109-V113 PolarHBondContact O-N 3.41Å; I109-A280 HydrophobicContact CG1-CB 4.36Å
110L90.9Very high93.4Very high42 Ų4231.7 Ų31.722%0.2214%0.14CC..Hα-helixtrans-55.9-45.4179.2-73.4170.3000112.8I89 P106 Q107 C112 V113I89-L110 HydrophobicContact CD1-CD1 4.36Å; I89-L110 HydrophobicContact CD1-CD2 3.74Å; I89-L110 HydrophobicContact CD1-CG 3.86Å; I89-L110 HydrophobicContact CG1-CD2 4.04Å; I89-L110 HydrophobicContact CG2-CD1 4.36Å; P106-L110 WeakPolarHBondContact O-CG 3.3Å; P106-L110 PolarHBondContact O-N 2.86Å; Q107-L110 PolarHBondContact O-N 2.79Å; L110-C112 PolarHBondContact O-N 2.92Å; L110-V113 PolarHBondContact O-N 2.85Å
111N92.1Very high93.4Very high9 Ų935.3 Ų35.35%0.04816%0.156CC..THydrogen-bonded Turntrans-58.7-17.6175.7-73.118.2000113.2Q107 I109 T118 E121 L256Q107-N111 PolarHBondContact NE2-OD1 3.06Å; Q107-N111 WeakPolarHBondContact O-CB 3.26Å; Q107-N111 VanDerWaalsContact O-CG 3.25Å; Q107-N111 PolarHBondContact O-N 3.41Å; Q107-N111 PolarHBondContact O-OD1 3.3Å; Q107-N111 VanDerWaalsContact O-OD1 3.07Å; I109-N111 PolarHBondContact O-N 3.06Å; N111-T118 WeakPolarHBondContact O-CA 3.26Å; N111-T118 WeakPolarHBondContact O-CB 3.35Å; N111-T118 PolarHBondContact O-N 3.01Å; N111-T118 PolarHBondContact O-OG1 3.3Å; N111-E121 PolarHBondContact ND2-OE2 2.87Å; N111-E121 VanDerWaalsContact ND2-OE2 3.08Å; N111-L256 HydrophobicContact CB-CD2 4.03Å
112C91.1Very high93.5Very high14 Ų1430.9 Ų30.910%0.09514%0.139CC..THydrogen-bonded Turntrans-108.2-0.4178.1-58.80000114.5T80 A108 I109 L110 M258 A280T80-C112 HydrophobicContact CG2-CB 4.44Å; A108-C112 PolarHBondContact O-SG 2.8Å; I109-C112 CarbonylContact O-C 3.57Å; I109-C112 WeakPolarHBondContact O-CA 3.32Å; I109-C112 PolarHBondContact O-N 3Å; L110-C112 PolarHBondContact O-N 2.92Å; C112-M258 PolarHBondContact SG-SD 2.9Å; C112-A280 HydrophobicContact CB-CB 3.85Å
113V87.6Confident93.4Very high10 Ų1033.6 Ų33.66%0.06116%0.162CC..THydrogen-bonded Turntrans-72.5-33.2178.2175.70000111.6T80 I109 L110T80-V113 HydrophobicContact CG2-CG2 4.13Å; I109-V113 WeakPolarHBondContact O-CG2 3.46Å; I109-V113 PolarHBondContact O-N 3.41Å; L110-V113 PolarHBondContact O-N 2.85Å
114N88.5Confident93Very high9 Ų936.8 Ų36.85%0.04820%0.195CC..SBendtrans-125.2121.9-179.4178.9-26000109.4F116 W117 T118 T160 R161N114-F116 PolarHBondContact O-N 3.38Å; N114-F116 WeakPolarHBondContact OD1-CB 3.47Å; N114-F116 PolarHBondContact OD1-N 3.24Å; N114-W117 HydrophobicContact CB-CB 4.09Å; N114-W117 HydrophobicContact CB-CD2 3.44Å; N114-W117 VanDerWaalsContact CB-CD2 3.44Å; N114-W117 HydrophobicContact CB-CE3 3.57Å; N114-W117 HydrophobicContact CB-CG 3.68Å; N114-W117 HydrophobicContact CB-CZ3 4.2Å; N114-W117 PolarHBondContact ND2-NE1 3.34Å; N114-W117 WeakPolarHBondContact O-CB 3.24Å; N114-W117 PolarHBondContact O-N 2.96Å; N114-W117 VanDerWaalsContact O-N 3.11Å; N114-T118 PolarHBondContact O-N 3.04Å; N114-T118 PolarHBondContact O-OG1 3Å; N114-T118 VanDerWaalsContact O-OG1 3.09Å; N114-T160 WeakPolarHBondContact OD1-CB 3.46Å; N114-R161 HydrophobicContact CB-CG 4.49Å
115K90.8Very high93Very high23 Ų2341.9 Ų41.910%0.122%0.219CC..Hα-helixtrans-57.1-35-179.4-70.2168.2169.453.50113.3T118 F119 T160 G162 L191 E277K115-T118 WeakPolarHBondContact O-CB 3.43Å; K115-T118 PolarHBondContact O-N 3.49Å; K115-F119 WeakPolarHBondContact O-CD1 3.27Å; K115-F119 PolarHBondContact O-N 3.01Å; K115-T160 PolarHBondContact N-O 3.35Å; K115-G162 PolarHBondContact NZ-O 3.24Å; K115-L191 HydrophobicContact CB-CD1 3.82Å; K115-E277 WeakPolarHBondContact CE-OE1 3.49Å; K115-E277 IonicContact NZ-OE1 3.22Å; K115-E277 PolarHBondContact NZ-OE1 3.03Å
116F91.4Very high93Very high50 Ų5040.8 Ų40.822%0.21924%0.236CC..Hα-helixtrans-73.5-37.6178.9-161.7-102.2000111.6N114 T118 F119 Q120 T132 S134 T160 L191N114-F116 PolarHBondContact O-N 3.38Å; N114-F116 WeakPolarHBondContact OD1-CB 3.47Å; N114-F116 PolarHBondContact OD1-N 3.24Å; F116-T118 VanDerWaalsContact C-N 3.34Å; F116-T118 PolarHBondContact O-N 3.31Å; F116-F119 PolarHBondContact O-N 2.91Å; F116-F119 VanDerWaalsContact O-N 3.13Å; F116-Q120 HydrophobicContact CD1-CG 4.09Å; F116-Q120 HydrophobicContact CE1-CG 3.99Å; F116-Q120 WeakPolarHBondContact O-CG 3.47Å; F116-Q120 PolarHBondContact O-N 3.46Å; F116-T132 HydrophobicContact CD2-CG2 4.19Å; F116-T132 HydrophobicContact CE2-CG2 4.17Å; F116-S134 VanDerWaalsContact CE2-CB 3.49Å; F116-T160 HydrophobicContact CB-CG2 4.22Å; F116-L191 HydrophobicContact CB-CD1 4.2Å; F116-L191 HydrophobicContact CD2-CD1 4.12Å; F116-L191 HydrophobicContact CD2-CG 4.42Å
117W91.6Very high93.3Very high105 Ų10541.1 Ų41.140%0.39824%0.238SC..Hα-helixtrans-61.9-43.2171.2-59.8-15.3000111.1N114 F119 Q120 E121N114-W117 HydrophobicContact CB-CB 4.09Å; N114-W117 HydrophobicContact CB-CD2 3.44Å; N114-W117 VanDerWaalsContact CB-CD2 3.44Å; N114-W117 HydrophobicContact CB-CE3 3.57Å; N114-W117 HydrophobicContact CB-CG 3.68Å; N114-W117 HydrophobicContact CB-CZ3 4.2Å; N114-W117 PolarHBondContact ND2-NE1 3.34Å; N114-W117 WeakPolarHBondContact O-CB 3.24Å; N114-W117 PolarHBondContact O-N 2.96Å; N114-W117 VanDerWaalsContact O-N 3.11Å; W117-F119 VanDerWaalsContact C-N 3.26Å; W117-F119 PolarHBondContact O-N 3.36Å; W117-Q120 PolarHBondContact O-N 3.42Å; W117-E121 WeakPolarHBondContact O-CG 3.3Å; W117-E121 PolarHBondContact O-N 2.83Å; W117-E121 VanDerWaalsContact O-N 3.11Å
118T94.9Very high93.5Very high4 Ų439.7 Ų39.73%0.02524%0.236CC..Hα-helixtrans-54.6-44.2171.7-460000111.5N111 N114 K115 F116 L122 L256 A278N111-T118 WeakPolarHBondContact O-CA 3.26Å; N111-T118 WeakPolarHBondContact O-CB 3.35Å; N111-T118 PolarHBondContact O-N 3.01Å; N111-T118 PolarHBondContact O-OG1 3.3Å; N114-T118 PolarHBondContact O-N 3.04Å; N114-T118 PolarHBondContact O-OG1 3Å; N114-T118 VanDerWaalsContact O-OG1 3.09Å; K115-T118 WeakPolarHBondContact O-CB 3.43Å; K115-T118 PolarHBondContact O-N 3.49Å; F116-T118 VanDerWaalsContact C-N 3.34Å; F116-T118 PolarHBondContact O-N 3.31Å; T118-L122 HydrophobicContact CG2-CD1 3.97Å; T118-L122 WeakPolarHBondContact O-CB 3.38Å; T118-L122 WeakPolarHBondContact O-CG 3.21Å; T118-L122 PolarHBondContact O-N 3.24Å; T118-L122 VanDerWaalsContact O-N 3.13Å; T118-L256 HydrophobicContact CG2-CD1 3.8Å; T118-L256 HydrophobicContact CG2-CD2 4.21Å; T118-A278 HydrophobicContact CG2-CB 3.79Å
119F95.9Very high93.6Very high12 Ų1241 Ų415%0.05324%0.243CC..Hα-helixtrans-69-37.1-179.8-86.844.1000112.6K115 F116 W117 L122 A123 L129 T132 Q193 V275K115-F119 WeakPolarHBondContact O-CD1 3.27Å; K115-F119 PolarHBondContact O-N 3.01Å; F116-F119 PolarHBondContact O-N 2.91Å; F116-F119 VanDerWaalsContact O-N 3.13Å; W117-F119 VanDerWaalsContact C-N 3.26Å; W117-F119 PolarHBondContact O-N 3.36Å; F119-L122 PolarHBondContact O-N 2.67Å; F119-A123 WeakPolarHBondContact O-CB 3.36Å; F119-A123 PolarHBondContact O-N 3.44Å; F119-L129 HydrophobicContact CB-CD1 4.09Å; F119-L129 HydrophobicContact CD1-CD2 4.18Å; F119-L129 HydrophobicContact CD2-CB 4.11Å; F119-L129 HydrophobicContact CD2-CD1 3.83Å; F119-L129 HydrophobicContact CD2-CD2 4.07Å; F119-L129 HydrophobicContact CD2-CG 4.22Å; F119-L129 HydrophobicContact CE1-CD2 4.03Å; F119-L129 HydrophobicContact CE2-CB 3.89Å; F119-L129 HydrophobicContact CE2-CD1 4.38Å; F119-L129 HydrophobicContact CE2-CD2 3.89Å; F119-L129 HydrophobicContact CE2-CG 4.27Å; F119-L129 HydrophobicContact CG-CD1 3.99Å; F119-L129 HydrophobicContact CG-CD2 4.19Å; F119-L129 HydrophobicContact CZ-CD2 3.87Å; F119-L129 WeakPolarHBondContact O-CD1 3.49Å; F119-T132 HydrophobicContact CD2-CG2 4.03Å; F119-T132 HydrophobicContact CE2-CG2 4.36Å; F119-T132 WeakPolarHBondContact CE2-OG1 3.4Å; F119-Q193 VanDerWaalsContact CZ-NE2 3.32Å; F119-V275 WeakPolarHBondContact CZ-O 3.23Å
120Q94.1Very high93.8Very high107 Ų10741.2 Ų41.250%0.524%0.244SC..Hα-helixtrans-61.4-46.5174.8-71.3172.6-65.100111.7F116 W117 L122 G124F116-Q120 HydrophobicContact CD1-CG 4.09Å; F116-Q120 HydrophobicContact CE1-CG 3.99Å; F116-Q120 WeakPolarHBondContact O-CG 3.47Å; F116-Q120 PolarHBondContact O-N 3.46Å; W117-Q120 PolarHBondContact O-N 3.42Å; Q120-L122 VanDerWaalsContact C-N 3.34Å; Q120-L122 PolarHBondContact O-N 2.97Å; Q120-G124 PolarHBondContact O-N 3.31Å
121E95.9Very high93.9Very high83 Ų8343.1 Ų43.139%0.38825%0.254SS..Hα-helixtrans-62.1-39.9176.9-64.3-73.8122.800112.2N111 W117 H125 L256N111-E121 PolarHBondContact ND2-OE2 2.87Å; N111-E121 VanDerWaalsContact ND2-OE2 3.08Å; W117-E121 WeakPolarHBondContact O-CG 3.3Å; W117-E121 PolarHBondContact O-N 2.83Å; W117-E121 VanDerWaalsContact O-N 3.11Å; E121-H125 PolarHBondContact O-ND1 3.13Å; E121-L256 HydrophobicContact CB-CD2 3.82Å; E121-L256 HydrophobicContact CG-CD2 4.38Å
122L97.8Very high94Very high0 Ų044.4 Ų44.40%026%0.263CS..Hα-helixtrans-77.2-38.4-178.4-68.1176.5000113.1T118 F119 Q120 G124 H125 V127 L129 V252 I255 L256 V275T118-L122 HydrophobicContact CG2-CD1 3.97Å; T118-L122 WeakPolarHBondContact O-CB 3.38Å; T118-L122 WeakPolarHBondContact O-CG 3.21Å; T118-L122 PolarHBondContact O-N 3.24Å; T118-L122 VanDerWaalsContact O-N 3.13Å; F119-L122 PolarHBondContact O-N 2.67Å; Q120-L122 VanDerWaalsContact C-N 3.34Å; Q120-L122 PolarHBondContact O-N 2.97Å; L122-G124 VanDerWaalsContact C-N 3.32Å; L122-G124 PolarHBondContact O-N 3.44Å; L122-H125 PolarHBondContact O-N 3.41Å; L122-V127 HydrophobicContact CB-CB 3.95Å; L122-V127 HydrophobicContact CB-CG1 4.13Å; L122-V127 HydrophobicContact CB-CG2 4.17Å; L122-V127 HydrophobicContact CD1-CG1 4.45Å; L122-V127 HydrophobicContact CD2-CG1 4.43Å; L122-V127 HydrophobicContact CD2-CG2 4.04Å; L122-V127 WeakPolarHBondContact O-CB 3.28Å; L122-V127 WeakPolarHBondContact O-CG2 3.49Å; L122-V127 PolarHBondContact O-N 3.1Å; L122-L129 HydrophobicContact CB-CD1 4.14Å; L122-L129 HydrophobicContact CB-CD2 4.32Å; L122-L129 HydrophobicContact CD1-CD2 4.17Å; L122-V252 HydrophobicContact CD1-CG1 4.19Å; L122-V252 HydrophobicContact CD2-CB 4.27Å; L122-V252 HydrophobicContact CD2-CG1 4Å; L122-V252 HydrophobicContact CD2-CG2 4.1Å; L122-I255 HydrophobicContact CD2-CB 4.17Å; L122-I255 HydrophobicContact CD2-CD1 4.08Å; L122-I255 HydrophobicContact CD2-CG2 4Å; L122-L256 HydrophobicContact CD1-CD1 4.42Å; L122-L256 HydrophobicContact CD2-CD1 4.19Å; L122-L256 HydrophobicContact CD2-CD2 4.31Å; L122-L256 HydrophobicContact CD2-CG 4.05Å; L122-L256 HydrophobicContact CG-CD1 4.46Å; L122-L256 HydrophobicContact CG-CD2 4.35Å; L122-V275 HydrophobicContact CD1-CG1 4.17Å
123A95.2Very high93.9Very high59 Ų5945.9 Ų45.949%0.48827%0.267SS..Hα-helixtrans-61.1-39.7-179.800000112.1F119 H125 G126 L129F119-A123 WeakPolarHBondContact O-CB 3.36Å; F119-A123 PolarHBondContact O-N 3.44Å; A123-H125 PolarHBondContact O-N 3.1Å; A123-G126 PolarHBondContact O-N 2.89Å; A123-G126 VanDerWaalsContact O-N 3.14Å; A123-L129 HydrophobicContact CB-CD1 4.04Å
124G90.3Very high93.7Very high70 Ų7047.1 Ų47.172%0.72228%0.277SS*.THydrogen-bonded Turntrans-61.5-11.9175.500000115Q120 L122Q120-G124 PolarHBondContact O-N 3.31Å; L122-G124 VanDerWaalsContact C-N 3.32Å; L122-G124 PolarHBondContact O-N 3.44Å
125H96.3Very high93Very high109 Ų10950.2 Ų50.251%0.50529%0.288SS..THydrogen-bonded Turntrans-11312.4-179.4-66.489.6000113.4E121 L122 A123 V127 I255E121-H125 PolarHBondContact O-ND1 3.13Å; L122-H125 PolarHBondContact O-N 3.41Å; A123-H125 PolarHBondContact O-N 3.1Å; H125-V127 VanDerWaalsContact C-N 3.27Å; H125-V127 HydrophobicContact CB-CG2 4.33Å; H125-V127 PolarHBondContact O-N 3.01Å; H125-I255 HydrophobicContact CB-CD1 3.49Å; H125-I255 VanDerWaalsContact CB-CD1 3.49Å; H125-I255 HydrophobicContact CB-CG1 4.1Å; H125-I255 WeakPolarHBondContact ND1-CG2 3.36Å
126G95.2Very high91.6Very high68 Ų6851.9 Ų51.970%0.70131%0.312SS*.THydrogen-bonded Turntrans68.322.5178.600000114.4A123A123-G126 PolarHBondContact O-N 2.89Å; A123-G126 VanDerWaalsContact O-N 3.14Å
127V98.2Very high90Very high9 Ų951 Ų516%0.05532%0.317CS..  trans-70133.2177174.10000109.5L122 H125 L129 L248 V252 I255 V275L122-V127 HydrophobicContact CB-CB 3.95Å; L122-V127 HydrophobicContact CB-CG1 4.13Å; L122-V127 HydrophobicContact CB-CG2 4.17Å; L122-V127 HydrophobicContact CD1-CG1 4.45Å; L122-V127 HydrophobicContact CD2-CG1 4.43Å; L122-V127 HydrophobicContact CD2-CG2 4.04Å; L122-V127 WeakPolarHBondContact O-CB 3.28Å; L122-V127 WeakPolarHBondContact O-CG2 3.49Å; L122-V127 PolarHBondContact O-N 3.1Å; H125-V127 VanDerWaalsContact C-N 3.27Å; H125-V127 HydrophobicContact CB-CG2 4.33Å; H125-V127 PolarHBondContact O-N 3.01Å; V127-L129 HydrophobicContact CG1-CD2 4.28Å; V127-L129 PolarHBondContact O-N 3.22Å; V127-L129 VanDerWaalsContact O-N 3.14Å; V127-L248 HydrophobicContact CG1-CD1 4.07Å; V127-V252 HydrophobicContact CG1-CG2 4.09Å; V127-I255 HydrophobicContact CG2-CD1 3.51Å; V127-V275 HydrophobicContact CG1-CB 4.3Å; V127-V275 HydrophobicContact CG1-CG2 3.62Å
128P97.8Very high88.4Confident51 Ų5151 Ų5133%0.33132%0.321SS..  trans-66.8113.2175.627.1-35.1000110.7L248 F273 Y274 V275P128-L248 HydrophobicContact CG-CD1 3.87Å; P128-L248 HydrophobicContact CG-CD2 3.98Å; P128-F273 WeakPolarHBondContact CB-O 3.16Å; P128-F273 VanDerWaalsContact CG-O 3.3Å; P128-F273 WeakPolarHBondContact CG-O 3.36Å; P128-Y274 HydrophobicContact CB-CD1 4.04Å; P128-Y274 WeakPolarHBondContact O-CA 3.3Å; P128-V275 PolarHBondContact O-N 3.13Å
129L97.4Very high86.8Confident28 Ų2860.2 Ų60.215%0.14736%0.364CS..  trans-118.9148.2174.1-59.2170.9000108.2F119 L122 A123 V127 Y274 V275F119-L129 HydrophobicContact CB-CD1 4.09Å; F119-L129 HydrophobicContact CD1-CD2 4.18Å; F119-L129 HydrophobicContact CD2-CB 4.11Å; F119-L129 HydrophobicContact CD2-CD1 3.83Å; F119-L129 HydrophobicContact CD2-CD2 4.07Å; F119-L129 HydrophobicContact CD2-CG 4.22Å; F119-L129 HydrophobicContact CE1-CD2 4.03Å; F119-L129 HydrophobicContact CE2-CB 3.89Å; F119-L129 HydrophobicContact CE2-CD1 4.38Å; F119-L129 HydrophobicContact CE2-CD2 3.89Å; F119-L129 HydrophobicContact CE2-CG 4.27Å; F119-L129 HydrophobicContact CG-CD1 3.99Å; F119-L129 HydrophobicContact CG-CD2 4.19Å; F119-L129 HydrophobicContact CZ-CD2 3.87Å; F119-L129 WeakPolarHBondContact O-CD1 3.49Å; L122-L129 HydrophobicContact CB-CD1 4.14Å; L122-L129 HydrophobicContact CB-CD2 4.32Å; L122-L129 HydrophobicContact CD1-CD2 4.17Å; A123-L129 HydrophobicContact CB-CD1 4.04Å; V127-L129 HydrophobicContact CG1-CD2 4.28Å; V127-L129 PolarHBondContact O-N 3.22Å; V127-L129 VanDerWaalsContact O-N 3.14Å; L129-Y274 WeakPolarHBondContact O-CD1 3.47Å; L129-Y274 WeakPolarHBondContact O-CE1 3.22Å; L129-V275 HydrophobicContact CD2-CB 3.96Å
130P95.8Very high85.6Confident3 Ų362.6 Ų62.62%0.01938%0.377CS..  trans-67.4144.6168.4-7.124.1000108.8T132 Q193 V196 L266 Y274P130-T132 WeakPolarHBondContact O-CB 3.18Å; P130-T132 PolarHBondContact O-N 3.47Å; P130-T132 PolarHBondContact O-OG1 3.39Å; P130-Q193 HydrophobicContact CB-CG 3.85Å; P130-Q193 HydrophobicContact CG-CG 4.21Å; P130-V196 HydrophobicContact CB-CG2 4.07Å; P130-V196 HydrophobicContact CG-CG2 4.14Å; P130-L266 HydrophobicContact CG-CD1 4.21Å; P130-Y274 HydrophobicContact CG-CD2 4.4Å; P130-Y274 HydrophobicContact CG-CG 4.06Å
131D94.7Very high84.5Confident82 Ų8259 Ų5944%0.43936%0.36SS..  trans-50.9126179.3-55.2-48.5000110.1L151 Q193 K194D131-L151 HydrophobicContact CB-CD2 3.72Å; D131-Q193 CarbonylContact O-C 3.52Å; D131-Q193 WeakPolarHBondContact O-CA 3.47Å; D131-K194 HydrophobicContact CB-CB 4.03Å; D131-K194 HydrophobicContact CB-CD 3.96Å; D131-K194 WeakPolarHBondContact O-CB 3.46Å; D131-K194 PolarHBondContact O-N 3.5Å; D131-K194 WeakPolarHBondContact OD2-CD 3.42Å; D131-K194 WeakPolarHBondContact OD2-CE 3.44Å; D131-K194 IonicContact OD2-NZ 2.73Å; D131-K194 PolarHBondContact OD2-NZ 3.02Å
132T92.9Very high83.5Confident37 Ų3757.9 Ų57.923%0.22737%0.365CS..EExtended strand (participates in β ladder)trans-146135-165.2-64.40000110.9F116 F119 P130 L191 F192 Q193F116-T132 HydrophobicContact CD2-CG2 4.19Å; F116-T132 HydrophobicContact CE2-CG2 4.17Å; F119-T132 HydrophobicContact CD2-CG2 4.03Å; F119-T132 HydrophobicContact CE2-CG2 4.36Å; F119-T132 WeakPolarHBondContact CE2-OG1 3.4Å; P130-T132 WeakPolarHBondContact O-CB 3.18Å; P130-T132 PolarHBondContact O-N 3.47Å; P130-T132 PolarHBondContact O-OG1 3.39Å; T132-L191 HydrophobicContact CG2-CD1 3.9Å; T132-L191 HydrophobicContact CG2-CD2 3.67Å; T132-L191 HydrophobicContact CG2-CG 3.52Å; T132-F192 CarbonylContact C-O 3.59Å; T132-F192 VanDerWaalsContact CA-O 3.29Å; T132-F192 WeakPolarHBondContact CA-O 3.46Å; T132-Q193 WeakPolarHBondContact OG1-CG 3.44Å; T132-Q193 PolarHBondContact OG1-NE2 3.32Å
133F88.6Confident82.5Confident44 Ų4464 Ų6419%0.19339%0.391CS..EExtended strand (participates in β ladder)trans-127.4166.8165.575.9-91.1000111.1M144 A148 L151 F192F133-M144 HydrophobicContact CE2-CG 4.19Å; F133-M144 HydrophobicContact CE2-SD 3.83Å; F133-M144 HydrophobicContact CZ-SD 3.89Å; F133-A148 HydrophobicContact CE1-CB 4.06Å; F133-A148 HydrophobicContact CZ-CB 3.64Å; F133-L151 HydrophobicContact CD1-CD1 3.49Å; F133-L151 VanDerWaalsContact CD1-CD1 3.49Å; F133-L151 HydrophobicContact CD1-CD2 4.43Å; F133-L151 HydrophobicContact CD1-CG 3.76Å; F133-L151 HydrophobicContact CE1-CD1 3.51Å; F133-L151 HydrophobicContact CE1-CG 3.84Å; F133-F192 HydrophobicContact CD1-CB 3.88Å; F133-F192 HydrophobicContact CD2-CB 4.29Å; F133-F192 HydrophobicContact CD2-CD2 4.09Å; F133-F192 HydrophobicContact CE1-CB 3.39Å; F133-F192 HydrophobicContact CE1-CG 4.1Å; F133-F192 HydrophobicContact CE2-CB 3.86Å; F133-F192 AromaticContact CE2-CD2 3.46Å; F133-F192 HydrophobicContact CE2-CD2 3.46Å; F133-F192 VanDerWaalsContact CE2-CD2 3.46Å; F133-F192 HydrophobicContact CE2-CE2 4.29Å; F133-F192 AromaticContact CE2-CG 3.79Å; F133-F192 HydrophobicContact CE2-CG 3.79Å; F133-F192 HydrophobicContact CG-CB 4.29Å; F133-F192 HydrophobicContact CZ-CB 3.37Å; F133-F192 HydrophobicContact CZ-CD1 4.31Å; F133-F192 AromaticContact CZ-CD2 3.73Å; F133-F192 HydrophobicContact CZ-CD2 3.73Å; F133-F192 AromaticContact CZ-CG 3.53Å; F133-F192 HydrophobicContact CZ-CG 3.53Å; F133-F192 PolarHBondContact N-O 3.11Å; F133-F192 PolarHBondContact O-N 3.24Å
134S85.3Confident81.7Confident37 Ų3761.1 Ų61.126%0.25937%0.368SS..EExtended strand (participates in β ladder)trans-139.2143.3174.11770000108.3F116 Y190F116-S134 VanDerWaalsContact CE2-CB 3.49Å; S134-Y190 WeakPolarHBondContact CA-O 3.36Å; S134-Y190 PolarHBondContact OG-O 3.09Å; S134-Y190 VanDerWaalsContact OG-O 3.09Å
135Y73.1Confident81.1Confident74 Ų7458.5 Ų58.529%0.2934%0.337SS..EExtended strand (participates in β ladder)trans-121.8130.1-177.5-174.9-112.5000110.4G137 N140 M144Y135-G137 WeakPolarHBondContact CE1-O 3.44Å; Y135-N140 PolarHBondContact OH-O 3.05Å; Y135-M144 HydrophobicContact CD1-CB 3.56Å; Y135-M144 HydrophobicContact CD1-CG 3.52Å; Y135-M144 HydrophobicContact CD2-CG 4.36Å; Y135-M144 HydrophobicContact CE1-CB 3.71Å; Y135-M144 HydrophobicContact CE1-CG 4.21Å; Y135-M144 HydrophobicContact CG-CB 3.97Å; Y135-M144 HydrophobicContact CG-CG 3.58Å
136G61.5Low80.4Confident58 Ų5857.6 Ų57.660%0.59834%0.336SS*.  trans-109.88.5-176.800000114.9
137G58.3Low79.6Confident31 Ų3160.5 Ų60.532%0.3233%0.332SS..  trans-94.1107.2-178.700000112.3Y135 E139Y135-G137 WeakPolarHBondContact CE1-O 3.44Å; G137-E139 PolarHBondContact O-N 3.11Å
138H57.5Low78.6Confident105 Ų10560.1 Ų60.149%0.48633%0.329SS..THydrogen-bonded Turntrans-76.2-20.3-172.9-55.2-48.2000114.6H186H138-H186 PolarHBondContact CE1-O 3.03Å; H138-H186 PolarHBondContact ND1-O 3.22Å
139E61.4Low77.6Confident198 Ų19862.4 Ų62.493%0.92534%0.335SS*.THydrogen-bonded Turntrans-90-14.7-167.9-60.1-174.8163.700115.3G137G137-E139 PolarHBondContact O-N 3.11Å
140N69.3Low76.8Confident61 Ų6166.9 Ų66.933%0.32636%0.364SS..  trans-144.583.9-178.3-163-34.9000111.6Y135 A142 K143Y135-N140 PolarHBondContact OH-O 3.05Å; N140-A142 VanDerWaalsContact C-N 3.32Å; N140-A142 PolarHBondContact OD1-N 3.47Å; N140-K143 HydrophobicContact CB-CB 4.5Å; N140-K143 HydrophobicContact CB-CD 4.23Å; N140-K143 HydrophobicContact CB-CG 4.43Å; N140-K143 PolarHBondContact OD1-N 3.02Å
141F72.5Confident76.3Confident32 Ų3267.7 Ų67.714%0.1437%0.368CS..Hα-helixtrans-69-30175-161.7-83.7000112.3K143 M144 I145 I184 H186 F192F141-K143 PolarHBondContact O-N 2.96Å; F141-M144 HydrophobicContact CD1-CE 3.83Å; F141-M144 HydrophobicContact CD2-CE 4.2Å; F141-M144 HydrophobicContact CE1-CE 3.21Å; F141-M144 HydrophobicContact CE2-CE 3.64Å; F141-M144 HydrophobicContact CG-CE 4.3Å; F141-M144 HydrophobicContact CZ-CE 3.13Å; F141-M144 WeakPolarHBondContact O-CA 3.23Å; F141-M144 VanDerWaalsContact O-CB 3.3Å; F141-M144 WeakPolarHBondContact O-CB 3.46Å; F141-M144 PolarHBondContact O-N 3.01Å; F141-I145 HydrophobicContact CD1-CD1 3.81Å; F141-I145 HydrophobicContact CD1-CG1 3.69Å; F141-I145 HydrophobicContact CE1-CD1 3.96Å; F141-I145 HydrophobicContact CE1-CG1 3.69Å; F141-I145 WeakPolarHBondContact O-CG1 3.28Å; F141-I145 PolarHBondContact O-N 3.04Å; F141-I184 HydrophobicContact CE2-CD1 3.7Å; F141-I184 HydrophobicContact CE2-CG1 4.36Å; F141-I184 HydrophobicContact CZ-CD1 3.74Å; F141-H186 AromaticContact CD2-CE1 3.66Å; F141-H186 AromaticContact CD2-ND1 3.62Å; F141-H186 AromaticContact CG-CE1 3.99Å; F141-F192 HydrophobicContact CZ-CZ 4.37Å
142A75.1Confident76.1Confident60 Ų6070.6 Ų70.650%0.49638%0.379SS..Hα-helixtrans-59.4-44.4178.300000111.9N140 M144 I145 D146N140-A142 VanDerWaalsContact C-N 3.32Å; N140-A142 PolarHBondContact OD1-N 3.47Å; A142-M144 VanDerWaalsContact C-N 3.27Å; A142-M144 PolarHBondContact O-N 2.67Å; A142-I145 WeakPolarHBondContact O-CB 3.44Å; A142-I145 PolarHBondContact O-N 3.48Å; A142-I145 VanDerWaalsContact O-N 3.08Å; A142-D146 PolarHBondContact O-N 2.94Å; A142-D146 VanDerWaalsContact O-N 3.15Å
143K76.5Confident76Confident127 Ų12771.8 Ų71.855%0.55238%0.381SS*.Hα-helixtrans-56.2-40171.2-77.1-178.8179.9-174.20112.6N140 F141 I145 D146 E147N140-K143 HydrophobicContact CB-CB 4.5Å; N140-K143 HydrophobicContact CB-CD 4.23Å; N140-K143 HydrophobicContact CB-CG 4.43Å; N140-K143 PolarHBondContact OD1-N 3.02Å; F141-K143 PolarHBondContact O-N 2.96Å; K143-I145 VanDerWaalsContact C-N 3.34Å; K143-I145 PolarHBondContact O-N 3.13Å; K143-D146 PolarHBondContact O-N 3.06Å; K143-E147 VanDerWaalsContact O-CG 3.32Å; K143-E147 WeakPolarHBondContact O-CG 3.4Å; K143-E147 PolarHBondContact O-N 3.29Å
144M77.9Confident76.3Confident0 Ų072.1 Ų72.10%039%0.387CS..Hα-helixtrans-63.6-40176.9-171.5-71.2-52.600111.5F133 Y135 F141 A142 D146 E147 A148 F192F133-M144 HydrophobicContact CE2-CG 4.19Å; F133-M144 HydrophobicContact CE2-SD 3.83Å; F133-M144 HydrophobicContact CZ-SD 3.89Å; Y135-M144 HydrophobicContact CD1-CB 3.56Å; Y135-M144 HydrophobicContact CD1-CG 3.52Å; Y135-M144 HydrophobicContact CD2-CG 4.36Å; Y135-M144 HydrophobicContact CE1-CB 3.71Å; Y135-M144 HydrophobicContact CE1-CG 4.21Å; Y135-M144 HydrophobicContact CG-CB 3.97Å; Y135-M144 HydrophobicContact CG-CG 3.58Å; F141-M144 HydrophobicContact CD1-CE 3.83Å; F141-M144 HydrophobicContact CD2-CE 4.2Å; F141-M144 HydrophobicContact CE1-CE 3.21Å; F141-M144 HydrophobicContact CE2-CE 3.64Å; F141-M144 HydrophobicContact CG-CE 4.3Å; F141-M144 HydrophobicContact CZ-CE 3.13Å; F141-M144 WeakPolarHBondContact O-CA 3.23Å; F141-M144 VanDerWaalsContact O-CB 3.3Å; F141-M144 WeakPolarHBondContact O-CB 3.46Å; F141-M144 PolarHBondContact O-N 3.01Å; A142-M144 VanDerWaalsContact C-N 3.27Å; A142-M144 PolarHBondContact O-N 2.67Å; M144-D146 VanDerWaalsContact C-N 3.27Å; M144-D146 PolarHBondContact O-N 2.94Å; M144-E147 PolarHBondContact O-N 3.06Å; M144-A148 WeakPolarHBondContact O-CB 3.45Å; M144-A148 PolarHBondContact O-N 2.85Å; M144-A148 HydrophobicContact SD-CB 4.27Å; M144-F192 HydrophobicContact CE-CD1 4.5Å; M144-F192 HydrophobicContact CE-CE1 3.65Å; M144-F192 HydrophobicContact CE-CE2 4.07Å; M144-F192 HydrophobicContact CE-CZ 3.4Å; M144-F192 HydrophobicContact CG-CE2 4.19Å; M144-F192 HydrophobicContact CG-CZ 4.44Å; M144-F192 HydrophobicContact SD-CD1 4.06Å; M144-F192 HydrophobicContact SD-CD2 3.86Å; M144-F192 HydrophobicContact SD-CE1 3.7Å; M144-F192 HydrophobicContact SD-CE2 3.47Å; M144-F192 WeakPolarHBondContact SD-CE2 3.48Å; M144-F192 HydrophobicContact SD-CG 4.16Å; M144-F192 HydrophobicContact SD-CZ 3.4Å; M144-F192 WeakPolarHBondContact SD-CZ 3.48Å
145I78Confident76.7Confident15 Ų1570.3 Ų70.38%0.07738%0.375CS..Hα-helixtrans-60.3-39.3175.3-58.3177.4000110.7F141 A142 K143 A148 K174 L177 A178F141-I145 HydrophobicContact CD1-CD1 3.81Å; F141-I145 HydrophobicContact CD1-CG1 3.69Å; F141-I145 HydrophobicContact CE1-CD1 3.96Å; F141-I145 HydrophobicContact CE1-CG1 3.69Å; F141-I145 WeakPolarHBondContact O-CG1 3.28Å; F141-I145 PolarHBondContact O-N 3.04Å; A142-I145 WeakPolarHBondContact O-CB 3.44Å; A142-I145 PolarHBondContact O-N 3.48Å; A142-I145 VanDerWaalsContact O-N 3.08Å; K143-I145 VanDerWaalsContact C-N 3.34Å; K143-I145 PolarHBondContact O-N 3.13Å; I145-A148 WeakPolarHBondContact O-CB 3.45Å; I145-A148 PolarHBondContact O-N 2.89Å; I145-K174 HydrophobicContact CG2-CD 4.2Å; I145-K174 HydrophobicContact CG2-CG 3.55Å; I145-L177 HydrophobicContact CB-CD2 4.37Å; I145-L177 HydrophobicContact CG1-CD2 4.29Å; I145-L177 HydrophobicContact CG1-CG 4.19Å; I145-L177 HydrophobicContact CG2-CD2 4.01Å; I145-L177 HydrophobicContact CG2-CG 4.37Å; I145-A178 HydrophobicContact CD1-CB 3.93Å
146D80.5Confident77.7Confident90 Ų9067.1 Ų67.148%0.48136%0.363SS..Hα-helixtrans-68.2-44.3176.4-61.8-35.5000111.8A142 K143 M144 A148 E149 K174A142-D146 PolarHBondContact O-N 2.94Å; A142-D146 VanDerWaalsContact O-N 3.15Å; K143-D146 PolarHBondContact O-N 3.06Å; M144-D146 VanDerWaalsContact C-N 3.27Å; M144-D146 PolarHBondContact O-N 2.94Å; D146-A148 PolarHBondContact O-N 2.94Å; D146-E149 PolarHBondContact O-N 2.89Å; D146-K174 WeakPolarHBondContact OD1-CE 3.44Å; D146-K174 IonicContact OD1-NZ 3.94Å; D146-K174 PolarHBondContact OD1-NZ 2.88Å
147E79.1Confident79.1Confident129 Ų12964.4 Ų64.460%0.60334%0.335SS*.Hα-helixtrans-62.7-27.2172.9-63.1-74.8177.800112.4K143 M144 E149 V150K143-E147 VanDerWaalsContact O-CG 3.32Å; K143-E147 WeakPolarHBondContact O-CG 3.4Å; K143-E147 PolarHBondContact O-N 3.29Å; M144-E147 PolarHBondContact O-N 3.06Å; E147-E149 VanDerWaalsContact C-N 3.26Å; E147-E149 PolarHBondContact O-N 3.41Å; E147-V150 WeakPolarHBondContact O-CG2 3.44Å; E147-V150 PolarHBondContact O-N 3.36Å
148A77.8Confident80.6Confident0 Ų063.7 Ų63.70%032%0.323CS..Hα-helixtrans-68-23.7-179.200000113.5F133 M144 I145 D146 V150 L151 M155 L177F133-A148 HydrophobicContact CE1-CB 4.06Å; F133-A148 HydrophobicContact CZ-CB 3.64Å; M144-A148 WeakPolarHBondContact O-CB 3.45Å; M144-A148 PolarHBondContact O-N 2.85Å; M144-A148 HydrophobicContact SD-CB 4.27Å; I145-A148 WeakPolarHBondContact O-CB 3.45Å; I145-A148 PolarHBondContact O-N 2.89Å; D146-A148 PolarHBondContact O-N 2.94Å; A148-V150 PolarHBondContact O-N 2.96Å; A148-L151 PolarHBondContact O-N 2.82Å; A148-M155 HydrophobicContact CB-CE 3.85Å; A148-M155 HydrophobicContact CB-SD 3.93Å; A148-M155 WeakPolarHBondContact O-CE 3.49Å; A148-L177 HydrophobicContact CB-CD2 3.73Å
149E77.1Confident81.9Confident99 Ų9960.2 Ų60.246%0.46331%0.308SS..G310 helixtrans-57.7-24.2-179.7-64.6-171.6175.900112.8D146 E147 L151 E152 F153 K174D146-E149 PolarHBondContact O-N 2.89Å; E147-E149 VanDerWaalsContact C-N 3.26Å; E147-E149 PolarHBondContact O-N 3.41Å; E149-L151 PolarHBondContact O-N 2.63Å; E149-E152 PolarHBondContact O-N 2.84Å; E149-F153 HydrophobicContact CG-CE2 4.46Å; E149-K174 VanDerWaalsContact OE1-CD 3.31Å; E149-K174 WeakPolarHBondContact OE1-CD 3.27Å; E149-K174 WeakPolarHBondContact OE1-CE 3.45Å; E149-K174 IonicContact OE1-NZ 3.81Å; E149-K174 PolarHBondContact OE1-NZ 3.22Å
150V80.5Confident83Confident123 Ų12350.8 Ų50.875%0.74526%0.264SS*.G310 helixtrans-60.1-26.8176.3-179.20000113.2E147 A148 E152E147-V150 WeakPolarHBondContact O-CG2 3.44Å; E147-V150 PolarHBondContact O-N 3.36Å; A148-V150 PolarHBondContact O-N 2.96Å; V150-E152 VanDerWaalsContact C-N 3.33Å
151L85.4Confident83.5Confident20 Ų2052.1 Ų52.111%0.10526%0.264CS..G310 helixtrans-84-7.4176.1-69.1-174.9000114.2D131 F133 A148 E149 M155 F192D131-L151 HydrophobicContact CB-CD2 3.72Å; F133-L151 HydrophobicContact CD1-CD1 3.49Å; F133-L151 VanDerWaalsContact CD1-CD1 3.49Å; F133-L151 HydrophobicContact CD1-CD2 4.43Å; F133-L151 HydrophobicContact CD1-CG 3.76Å; F133-L151 HydrophobicContact CE1-CD1 3.51Å; F133-L151 HydrophobicContact CE1-CG 3.84Å; A148-L151 PolarHBondContact O-N 2.82Å; E149-L151 PolarHBondContact O-N 2.63Å; L151-M155 HydrophobicContact CB-CE 4.31Å; L151-F192 HydrophobicContact CD1-CB 4.11Å; L151-F192 WeakPolarHBondContact CD1-O 3.46Å
152E88.9Confident83.3Confident143 Ų14351.7 Ų51.767%0.66827%0.268SS*.  trans59.3167.7-165.1-54.3-179.3155.100113.5E149 V150 M155E149-E152 PolarHBondContact O-N 2.84Å; V150-E152 VanDerWaalsContact C-N 3.33Å; E152-M155 WeakPolarHBondContact O-CE 3.18Å
153F92.4Very high82.8Confident62 Ų6251.9 Ų51.927%0.27226%0.259SS..SBendtrans-108.9145.4174.1-73.6-81.5000110.7E149 M155 A171 D173 K174 L177E149-F153 HydrophobicContact CG-CE2 4.46Å; F153-M155 HydrophobicContact CD1-CE 3.8Å; F153-M155 HydrophobicContact CD1-CG 4.09Å; F153-M155 HydrophobicContact CD2-CE 4.31Å; F153-M155 HydrophobicContact CE1-CE 3.44Å; F153-M155 VanDerWaalsContact CE1-CE 3.44Å; F153-M155 HydrophobicContact CE1-CG 3.98Å; F153-M155 HydrophobicContact CE1-SD 3.94Å; F153-M155 HydrophobicContact CE2-CE 3.99Å; F153-M155 HydrophobicContact CG-CE 4.21Å; F153-M155 HydrophobicContact CZ-CE 3.54Å; F153-M155 HydrophobicContact CZ-SD 4.37Å; F153-A171 HydrophobicContact CE1-CB 4.25Å; F153-D173 VanDerWaalsContact CD1-C 3.44Å; F153-D173 VanDerWaalsContact CD1-CA 3.42Å; F153-D173 VanDerWaalsContact CE1-O 3.29Å; F153-D173 WeakPolarHBondContact CE1-O 3.26Å; F153-K174 HydrophobicContact CE2-CB 4.04Å; F153-K174 HydrophobicContact CZ-CB 4.12Å; F153-L177 HydrophobicContact CE1-CB 4.03Å; F153-L177 HydrophobicContact CE1-CD2 4.05Å; F153-L177 HydrophobicContact CZ-CB 4.26Å; F153-L177 HydrophobicContact CZ-CD2 3.86Å
154P94.5Very high81.9Confident50 Ų5052.9 Ų52.933%0.32526%0.259SS..SBendcis-77.1156.42.335-39.5000113.1L170 A171 Y195P154-L170 HydrophobicContact CB-CD1 4Å; P154-L170 HydrophobicContact CB-CG 4.47Å; P154-A171 CarbonylContact C-O 3.43Å; P154-A171 VanDerWaalsContact CA-O 3.23Å; P154-A171 WeakPolarHBondContact CA-O 3.3Å; P154-A171 WeakPolarHBondContact CB-O 3.44Å; P154-Y195 HydrophobicContact CB-CD1 4.49Å; P154-Y195 HydrophobicContact CG-CD1 3.47Å; P154-Y195 VanDerWaalsContact CG-CD1 3.47Å; P154-Y195 HydrophobicContact CG-CE1 3.94Å; P154-Y195 HydrophobicContact CG-CG 4.02Å; P154-Y195 WeakPolarHBondContact O-CB 3.32Å
155M94Very high80.8Confident0 Ų053.6 Ų53.60%027%0.267CS..EExtended strand (participates in β ladder)trans-133.8155.7178.268.3177.56500112.5A148 L151 E152 F153 A171 L177 F192A148-M155 HydrophobicContact CB-CE 3.85Å; A148-M155 HydrophobicContact CB-SD 3.93Å; A148-M155 WeakPolarHBondContact O-CE 3.49Å; L151-M155 HydrophobicContact CB-CE 4.31Å; E152-M155 WeakPolarHBondContact O-CE 3.18Å; F153-M155 HydrophobicContact CD1-CE 3.8Å; F153-M155 HydrophobicContact CD1-CG 4.09Å; F153-M155 HydrophobicContact CD2-CE 4.31Å; F153-M155 HydrophobicContact CE1-CE 3.44Å; F153-M155 VanDerWaalsContact CE1-CE 3.44Å; F153-M155 HydrophobicContact CE1-CG 3.98Å; F153-M155 HydrophobicContact CE1-SD 3.94Å; F153-M155 HydrophobicContact CE2-CE 3.99Å; F153-M155 HydrophobicContact CG-CE 4.21Å; F153-M155 HydrophobicContact CZ-CE 3.54Å; F153-M155 HydrophobicContact CZ-SD 4.37Å; M155-A171 HydrophobicContact CG-CB 3.96Å; M155-A171 PolarHBondContact N-O 2.93Å; M155-A171 PolarHBondContact O-N 3.24Å; M155-L177 HydrophobicContact SD-CD2 3.92Å; M155-F192 HydrophobicContact SD-CD1 4.39Å
156V93.8Very high80.3Confident7 Ų760.4 Ų60.44%0.04230%0.296CS..EExtended strand (participates in β ladder)trans-97.2125.4179.5-174.40000110.3K158 V168 F169 L170 F192 Q193 Y195 M226V156-K158 HydrophobicContact CG1-CD 4.26Å; V156-K158 VanDerWaalsContact CG1-CE 3.45Å; V156-K158 HydrophobicContact CG1-CG 3.8Å; V156-V168 HydrophobicContact CG1-CG1 4Å; V156-F169 WeakPolarHBondContact CA-O 3.42Å; V156-L170 HydrophobicContact CG2-CD1 4.26Å; V156-F192 WeakPolarHBondContact O-CA 3.45Å; V156-Q193 HydrophobicContact CB-CB 4.42Å; V156-Q193 PolarHBondContact N-O 3.04Å; V156-Q193 PolarHBondContact O-N 3.27Å; V156-Y195 HydrophobicContact CG2-CD2 3.99Å; V156-M226 HydrophobicContact CG1-CE 3.74Å; V156-M226 HydrophobicContact CG1-SD 4.44Å; V156-M226 HydrophobicContact CG2-CE 4.06Å; V156-M226 HydrophobicContact CG2-SD 3.64Å
157V90.4Very high80Confident0 Ų057.7 Ų57.70%029%0.286CS..EExtended strand (participates in β ladder)trans-105.3120.8175.7-174.30000108.5V168 F169 A171 L177 L180 Y190 F192V157-V168 CarbonylContact O-C 3.54Å; V157-V168 WeakPolarHBondContact O-CA 3.33Å; V157-F169 HydrophobicContact CB-CB 4.38Å; V157-F169 PolarHBondContact N-O 2.9Å; V157-F169 PolarHBondContact O-N 3.36Å; V157-A171 HydrophobicContact CG2-CB 4.22Å; V157-L177 HydrophobicContact CG2-CD1 3.82Å; V157-L180 HydrophobicContact CG2-CD1 4.39Å; V157-Y190 HydrophobicContact CG1-CD1 3.86Å; V157-F192 HydrophobicContact CB-CD1 4.41Å; V157-F192 HydrophobicContact CB-CE1 4.28Å; V157-F192 HydrophobicContact CG1-CD1 4.14Å; V157-F192 HydrophobicContact CG1-CE1 3.61Å; V157-F192 HydrophobicContact CG1-CZ 4.17Å; V157-F192 HydrophobicContact CG2-CD1 3.83Å; V157-F192 HydrophobicContact CG2-CE1 3.82Å
158K89.1Confident80.3Confident17 Ų1752.8 Ų52.87%0.07427%0.265CS..EExtended strand (participates in β ladder)trans-125.3137.8-179.1-51.9-174.7179169.40110V156 T160 A167 V168 Y190 L191 C276V156-K158 HydrophobicContact CG1-CD 4.26Å; V156-K158 VanDerWaalsContact CG1-CE 3.45Å; V156-K158 HydrophobicContact CG1-CG 3.8Å; K158-T160 PolarHBondContact O-N 2.93Å; K158-A167 WeakPolarHBondContact CA-O 3.3Å; K158-V168 HydrophobicContact CB-CG2 4.44Å; K158-V168 HydrophobicContact CG-CG1 4.24Å; K158-V168 HydrophobicContact CG-CG2 4.17Å; K158-Y190 WeakPolarHBondContact O-CD1 3.08Å; K158-L191 HydrophobicContact CB-CB 4.45Å; K158-L191 HydrophobicContact CB-CD2 4.35Å; K158-L191 HydrophobicContact CD-CD2 4.19Å; K158-L191 HydrophobicContact CG-CD2 4.37Å; K158-L191 PolarHBondContact N-O 3.39Å; K158-L191 PolarHBondContact O-N 2.88Å; K158-C276 PolarHBondContact NZ-SG 3.3Å; K158-C276 VanDerWaalsContact NZ-SG 3.44Å
159N86.3Confident80.9Confident31 Ų3155.9 Ų55.917%0.16628%0.278CS..EExtended strand (participates in β ladder)trans-63.4130.5160-171.6-27.7000108.5R161 A167 Y190N159-R161 PolarHBondContact ND2-O 2.92Å; N159-R161 PolarHBondContact O-N 3.37Å; N159-R161 PolarHBondContact OD1-N 3.29Å; N159-R161 PolarHBondContact OD1-O 2.55Å; N159-R161 VanDerWaalsContact OD1-O 3.1Å; N159-A167 HydrophobicContact CB-CB 3.91Å; N159-A167 PolarHBondContact N-O 2.97Å; N159-Y190 HydrophobicContact CB-CD1 4.42Å; N159-Y190 HydrophobicContact CB-CE1 3.92Å
160T84.3Confident81.7Confident1 Ų153.5 Ų53.51%0.00627%0.269CS..SBendtrans-58-32.717752.60000112.9N114 K115 F116 K158 P189 L191N114-T160 WeakPolarHBondContact OD1-CB 3.46Å; K115-T160 PolarHBondContact N-O 3.35Å; F116-T160 HydrophobicContact CB-CG2 4.22Å; K158-T160 PolarHBondContact O-N 2.93Å; T160-P189 WeakPolarHBondContact CB-O 3.4Å; T160-P189 HydrophobicContact CG2-CB 4.21Å; T160-P189 HydrophobicContact CG2-CG 4.49Å; T160-P189 WeakPolarHBondContact CG2-O 3.25Å; T160-P189 PolarHBondContact N-O 2.9Å; T160-P189 WeakPolarHBondContact OG1-CG 3Å; T160-P189 PolarHBondContact OG1-O 2.8Å; T160-L191 HydrophobicContact CG2-CB 3.97Å
161R79.8Confident82.3Confident89 Ų8947.7 Ų47.734%0.33623%0.233SC..SBendtrans-115.6106.6179.8-69.4169.2168.1-164.1-7.5108.8N114 N159N114-R161 HydrophobicContact CB-CG 4.49Å; N159-R161 PolarHBondContact ND2-O 2.92Å; N159-R161 PolarHBondContact O-N 3.37Å; N159-R161 PolarHBondContact OD1-N 3.29Å; N159-R161 PolarHBondContact OD1-O 2.55Å; N159-R161 VanDerWaalsContact OD1-O 3.1Å
162G68.8Low82.6Confident22 Ų2254.4 Ų54.423%0.22726%0.257CS..  trans176.6163.1-174.600000112.3K115K115-G162 PolarHBondContact NZ-O 3.24Å
163H62.8Low82.8Confident65 Ų6550.2 Ų50.230%0.30124%0.239SC..  trans-146.3164.4-176.665-61.7000111.2P81 G165 K166P81-H163 HydrophobicContact CG-CB 3.77Å; P81-H163 WeakPolarHBondContact CG-ND1 3.27Å; H163-G165 PolarHBondContact O-N 3.38Å; H163-K166 PolarHBondContact O-N 3.42Å
164R58.3Low82.8Confident147 Ų14750.7 Ų50.756%0.55524%0.241SC*.THydrogen-bonded Turntrans58.625.6175.9-61.7176.7-176.9-172.34.9114.9K166 S231R164-K166 VanDerWaalsContact C-N 3.26Å; R164-K166 PolarHBondContact O-N 3.29Å; R164-S231 WeakPolarHBondContact CB-OG 3.39Å; R164-S231 PolarHBondContact O-OG 3.38Å
165G55.7Low82.6Confident15 Ų1555.4 Ų55.416%0.15526%0.258CS..THydrogen-bonded Turntrans74.74.6179.100000115.5H163H163-G165 PolarHBondContact O-N 3.38Å
166K66.2Low82.5Confident158 Ų15858.6 Ų58.669%0.68727%0.273SS*.THydrogen-bonded Turntrans-62.7137.6170.9-68.2-168.5172.2-164.50109.8H163 R164 V168H163-K166 PolarHBondContact O-N 3.42Å; R164-K166 VanDerWaalsContact C-N 3.26Å; R164-K166 PolarHBondContact O-N 3.29Å; K166-V168 PolarHBondContact O-N 3.41Å
167A75.3Confident82.3Confident33 Ų3358.3 Ų58.327%0.27327%0.271SS..THydrogen-bonded Turntrans54.444.6-176.900000114.6K158 N159 F169K158-A167 WeakPolarHBondContact CA-O 3.3Å; N159-A167 HydrophobicContact CB-CB 3.91Å; N159-A167 PolarHBondContact N-O 2.97Å; A167-F169 HydrophobicContact CB-CE2 4.12Å
168V86.1Confident82.2Confident26 Ų2659.8 Ų59.816%0.15828%0.284CS..EExtended strand (participates in β ladder)trans-115.8120.9165.9176.40000108.1V156 V157 K158 K166 M226 Q227V156-V168 HydrophobicContact CG1-CG1 4Å; V157-V168 CarbonylContact O-C 3.54Å; V157-V168 WeakPolarHBondContact O-CA 3.33Å; K158-V168 HydrophobicContact CB-CG2 4.44Å; K158-V168 HydrophobicContact CG-CG1 4.24Å; K158-V168 HydrophobicContact CG-CG2 4.17Å; K166-V168 PolarHBondContact O-N 3.41Å; V168-M226 HydrophobicContact CG1-CE 3.67Å; V168-Q227 HydrophobicContact CB-CG 4.42Å; V168-Q227 HydrophobicContact CG1-CG 4.24Å; V168-Q227 PolarHBondContact O-NE2 2.89Å
169F89.5Confident82.2Confident66 Ų6663.6 Ų63.629%0.28931%0.305SS..EExtended strand (participates in β ladder)trans-127.3156.8-175.8-50.7-84.2000111.2V156 V157 A167 L180 I184V156-F169 WeakPolarHBondContact CA-O 3.42Å; V157-F169 HydrophobicContact CB-CB 4.38Å; V157-F169 PolarHBondContact N-O 2.9Å; V157-F169 PolarHBondContact O-N 3.36Å; A167-F169 HydrophobicContact CB-CE2 4.12Å; F169-L180 HydrophobicContact CB-CD1 3.81Å; F169-L180 HydrophobicContact CB-CD2 3.82Å; F169-L180 HydrophobicContact CD1-CD2 3.65Å; F169-L180 HydrophobicContact CD2-CD2 4.22Å; F169-L180 HydrophobicContact CE1-CD2 4.23Å; F169-L180 HydrophobicContact CG-CD1 4.48Å; F169-L180 HydrophobicContact CG-CD2 3.64Å; F169-I184 HydrophobicContact CD2-CG2 4.4Å; F169-I184 HydrophobicContact CE2-CG2 3.81Å; F169-I184 HydrophobicContact CZ-CG2 4.45Å
170L93Very high82.2Confident49 Ų4963.1 Ų63.126%0.25730%0.302SS..EExtended strand (participates in β ladder)trans-112.6104171.9-178.765.8000108.2P154 V156 R172 Y195 M226P154-L170 HydrophobicContact CB-CD1 4Å; P154-L170 HydrophobicContact CB-CG 4.47Å; V156-L170 HydrophobicContact CG2-CD1 4.26Å; L170-R172 PolarHBondContact O-N 2.68Å; L170-Y195 HydrophobicContact CD1-CD2 3.41Å; L170-Y195 VanDerWaalsContact CD1-CD2 3.41Å; L170-Y195 HydrophobicContact CD1-CE2 3.76Å; L170-Y195 HydrophobicContact CD1-CG 3.89Å; L170-Y195 HydrophobicContact CD2-CE2 4.06Å; L170-M226 HydrophobicContact CB-SD 4.29Å; L170-M226 HydrophobicContact CD1-SD 4.02Å
171A92.9Very high82.2Confident0 Ų063.5 Ų63.50%031%0.305CS..EExtended strand (participates in β ladder)trans-78.3115171.600000108.2F153 P154 M155 V157 L177 L180F153-A171 HydrophobicContact CE1-CB 4.25Å; P154-A171 CarbonylContact C-O 3.43Å; P154-A171 VanDerWaalsContact CA-O 3.23Å; P154-A171 WeakPolarHBondContact CA-O 3.3Å; P154-A171 WeakPolarHBondContact CB-O 3.44Å; M155-A171 HydrophobicContact CG-CB 3.96Å; M155-A171 PolarHBondContact N-O 2.93Å; M155-A171 PolarHBondContact O-N 3.24Å; V157-A171 HydrophobicContact CG2-CB 4.22Å; A171-L177 HydrophobicContact CB-CB 4Å; A171-L177 HydrophobicContact CB-CD1 4.15Å; A171-L180 HydrophobicContact CB-CD1 3.96Å
172R93.4Very high82.4Confident162 Ų16266.5 Ų66.561%0.61132%0.323SS*.  trans-80.2-24.1-174.7-56.8-177.2-177.6127.8-7.3113.6L170 H176L170-R172 PolarHBondContact O-N 2.68Å; R172-H176 PolarHBondContact NH1-NE2 3.23Å
173D92.6Very high82.9Confident54 Ų5471.9 Ų71.929%0.28935%0.345SS..SBendtrans-164.5176.8-175.45365.3000109F153 H175 H176 L177F153-D173 VanDerWaalsContact CD1-C 3.44Å; F153-D173 VanDerWaalsContact CD1-CA 3.42Å; F153-D173 VanDerWaalsContact CE1-O 3.29Å; F153-D173 WeakPolarHBondContact CE1-O 3.26Å; D173-H175 VanDerWaalsContact C-N 3.28Å; D173-H175 PolarHBondContact O-N 2.84Å; D173-H175 WeakPolarHBondContact OD1-CA 3.37Å; D173-H175 WeakPolarHBondContact OD1-CB 3.5Å; D173-H175 PolarHBondContact OD1-N 3.33Å; D173-H176 VanDerWaalsContact CG-ND1 3.27Å; D173-H176 PolarHBondContact O-N 3.32Å; D173-H176 IonicContact OD1-CG 2.71Å; D173-H176 PolarHBondContact OD1-N 2.88Å; D173-H176 IonicContact OD1-ND1 3.38Å; D173-H176 PolarHBondContact OD1-ND1 3.49Å; D173-H176 IonicContact OD2-CE1 2.75Å; D173-H176 PolarHBondContact OD2-CE1 2.85Å; D173-H176 IonicContact OD2-CG 3.89Å; D173-H176 IonicContact OD2-ND1 2.82Å; D173-H176 PolarHBondContact OD2-ND1 2.96Å; D173-L177 PolarHBondContact O-N 3.09Å; D173-L177 VanDerWaalsContact O-N 3.08Å
174K91.2Very high83.7Confident72 Ų7269.4 Ų69.431%0.31333%0.334SS..Hα-helixtrans-60.3-32.7-179.5-166.3172.5-171.4164.10113.6I145 D146 E149 F153 L177 A178I145-K174 HydrophobicContact CG2-CD 4.2Å; I145-K174 HydrophobicContact CG2-CG 3.55Å; D146-K174 WeakPolarHBondContact OD1-CE 3.44Å; D146-K174 IonicContact OD1-NZ 3.94Å; D146-K174 PolarHBondContact OD1-NZ 2.88Å; E149-K174 VanDerWaalsContact OE1-CD 3.31Å; E149-K174 WeakPolarHBondContact OE1-CD 3.27Å; E149-K174 WeakPolarHBondContact OE1-CE 3.45Å; E149-K174 IonicContact OE1-NZ 3.81Å; E149-K174 PolarHBondContact OE1-NZ 3.22Å; F153-K174 HydrophobicContact CE2-CB 4.04Å; F153-K174 HydrophobicContact CZ-CB 4.12Å; K174-L177 PolarHBondContact O-N 2.9Å; K174-A178 PolarHBondContact O-N 2.89Å
175H90.7Very high84.6Confident149 Ų14970.3 Ų70.369%0.6934%0.338SS*.Hα-helixtrans-72.4-46.8179-64.8-72.7000111D173 L177 A178 D179D173-H175 VanDerWaalsContact C-N 3.28Å; D173-H175 PolarHBondContact O-N 2.84Å; D173-H175 WeakPolarHBondContact OD1-CA 3.37Å; D173-H175 WeakPolarHBondContact OD1-CB 3.5Å; D173-H175 PolarHBondContact OD1-N 3.33Å; H175-L177 PolarHBondContact O-N 2.76Å; H175-A178 WeakPolarHBondContact O-CB 3.37Å; H175-A178 PolarHBondContact O-N 3.32Å; H175-D179 PolarHBondContact O-N 3.3Å
176H91.9Very high85.5Confident67 Ų6773.4 Ų73.431%0.3135%0.348SS..Hα-helixtrans-58.9-33.5172.5-75.9103.2000112.4R172 D173 L180R172-H176 PolarHBondContact NH1-NE2 3.23Å; D173-H176 VanDerWaalsContact CG-ND1 3.27Å; D173-H176 PolarHBondContact O-N 3.32Å; D173-H176 IonicContact OD1-CG 2.71Å; D173-H176 PolarHBondContact OD1-N 2.88Å; D173-H176 IonicContact OD1-ND1 3.38Å; D173-H176 PolarHBondContact OD1-ND1 3.49Å; D173-H176 IonicContact OD2-CE1 2.75Å; D173-H176 PolarHBondContact OD2-CE1 2.85Å; D173-H176 IonicContact OD2-CG 3.89Å; D173-H176 IonicContact OD2-ND1 2.82Å; D173-H176 PolarHBondContact OD2-ND1 2.96Å; H176-L180 WeakPolarHBondContact O-CB 3.37Å; H176-L180 VanDerWaalsContact O-CG 3.23Å; H176-L180 WeakPolarHBondContact O-CG 3.35Å; H176-L180 PolarHBondContact O-N 2.92Å
177L89.8Confident85.8Confident1 Ų170.5 Ų70.51%0.00534%0.34CS..Hα-helixtrans-69.2-38.5174.4-175.557.4000112.4I145 A148 F153 M155 V157 A171 D173 K174 H175 L180 S181 F192I145-L177 HydrophobicContact CB-CD2 4.37Å; I145-L177 HydrophobicContact CG1-CD2 4.29Å; I145-L177 HydrophobicContact CG1-CG 4.19Å; I145-L177 HydrophobicContact CG2-CD2 4.01Å; I145-L177 HydrophobicContact CG2-CG 4.37Å; A148-L177 HydrophobicContact CB-CD2 3.73Å; F153-L177 HydrophobicContact CE1-CB 4.03Å; F153-L177 HydrophobicContact CE1-CD2 4.05Å; F153-L177 HydrophobicContact CZ-CB 4.26Å; F153-L177 HydrophobicContact CZ-CD2 3.86Å; M155-L177 HydrophobicContact SD-CD2 3.92Å; V157-L177 HydrophobicContact CG2-CD1 3.82Å; A171-L177 HydrophobicContact CB-CB 4Å; A171-L177 HydrophobicContact CB-CD1 4.15Å; D173-L177 PolarHBondContact O-N 3.09Å; D173-L177 VanDerWaalsContact O-N 3.08Å; K174-L177 PolarHBondContact O-N 2.9Å; H175-L177 PolarHBondContact O-N 2.76Å; L177-L180 PolarHBondContact O-N 3.43Å; L177-S181 PolarHBondContact O-N 2.69Å; L177-S181 VanDerWaalsContact O-N 3.09Å; L177-F192 HydrophobicContact CD1-CD1 4.42Å; L177-F192 HydrophobicContact CD1-CE1 3.95Å
178A88.6Confident85.7Confident31 Ų3170 Ų7026%0.25634%0.336SS..Hα-helixtrans-64.7-43.6172.600000111.9I145 K174 H175 L180 S181 H182I145-A178 HydrophobicContact CD1-CB 3.93Å; K174-A178 PolarHBondContact O-N 2.89Å; H175-A178 WeakPolarHBondContact O-CB 3.37Å; H175-A178 PolarHBondContact O-N 3.32Å; A178-L180 PolarHBondContact O-N 3.01Å; A178-S181 WeakPolarHBondContact O-CB 3.49Å; A178-S181 PolarHBondContact O-N 2.75Å; A178-S181 VanDerWaalsContact O-N 3.09Å; A178-S181 PolarHBondContact O-OG 2.64Å; A178-H182 PolarHBondContact O-CD2 2.7Å
179D89.4Confident85.3Confident98 Ų9870.9 Ų70.952%0.52434%0.342SS..Hα-helixtrans-62.1-42.5175.3-67.2-27000111.6H175 S181 H182H175-D179 PolarHBondContact O-N 3.3Å; D179-S181 PolarHBondContact O-N 2.82Å; D179-H182 PolarHBondContact O-N 2.86Å
180L86.7Confident85.1Confident20 Ų2068.4 Ų68.411%0.10533%0.331CS..Hα-helixtrans-61.1-30.7174.1-77.2169.8000112.6V157 F169 A171 H176 L177 A178 H182 L183 I184V157-L180 HydrophobicContact CG2-CD1 4.39Å; F169-L180 HydrophobicContact CB-CD1 3.81Å; F169-L180 HydrophobicContact CB-CD2 3.82Å; F169-L180 HydrophobicContact CD1-CD2 3.65Å; F169-L180 HydrophobicContact CD2-CD2 4.22Å; F169-L180 HydrophobicContact CE1-CD2 4.23Å; F169-L180 HydrophobicContact CG-CD1 4.48Å; F169-L180 HydrophobicContact CG-CD2 3.64Å; A171-L180 HydrophobicContact CB-CD1 3.96Å; H176-L180 WeakPolarHBondContact O-CB 3.37Å; H176-L180 VanDerWaalsContact O-CG 3.23Å; H176-L180 WeakPolarHBondContact O-CG 3.35Å; H176-L180 PolarHBondContact O-N 2.92Å; L177-L180 PolarHBondContact O-N 3.43Å; A178-L180 PolarHBondContact O-N 3.01Å; L180-H182 PolarHBondContact O-N 2.8Å; L180-L183 PolarHBondContact O-N 3.42Å; L180-I184 WeakPolarHBondContact O-CG1 3.29Å; L180-I184 PolarHBondContact O-N 2.73Å; L180-I184 VanDerWaalsContact O-N 3.16Å
181S83.1Confident84.9Confident9 Ų966.1 Ų66.16%0.06332%0.319CS..Hα-helixtrans-55.7-38.717784.70000112.3L177 A178 D179 L183 H186L177-S181 PolarHBondContact O-N 2.69Å; L177-S181 VanDerWaalsContact O-N 3.09Å; A178-S181 WeakPolarHBondContact O-CB 3.49Å; A178-S181 PolarHBondContact O-N 2.75Å; A178-S181 VanDerWaalsContact O-N 3.09Å; A178-S181 PolarHBondContact O-OG 2.64Å; D179-S181 PolarHBondContact O-N 2.82Å; S181-L183 VanDerWaalsContact C-N 3.26Å; S181-L183 PolarHBondContact O-N 2.77Å; S181-H186 PolarHBondContact O-CE1 2.82Å; S181-H186 PolarHBondContact O-NE2 2.92Å
182H83.5Confident84.8Confident153 Ų15366.2 Ų66.271%0.70832%0.319SS*.THydrogen-bonded Turntrans-78.2-10.6-178.4-57.8-50.4000113.3A178 D179 L180A178-H182 PolarHBondContact O-CD2 2.7Å; D179-H182 PolarHBondContact O-N 2.86Å; L180-H182 PolarHBondContact O-N 2.8Å
183L80.9Confident84.8Confident135 Ų13558.6 Ų58.671%0.70729%0.291SS*.THydrogen-bonded Turntrans-105.6-14.8-178.8-62.1176.5000113.4L180 S181L180-L183 PolarHBondContact O-N 3.42Å; S181-L183 VanDerWaalsContact C-N 3.26Å; S181-L183 PolarHBondContact O-N 2.77Å
184I78.8Confident84.9Confident13 Ų1360 Ų607%0.06729%0.294CS..SBendtrans-102.4150.8-179.365.3177.1000111.8F141 F169 L180 H186 Y190F141-I184 HydrophobicContact CE2-CD1 3.7Å; F141-I184 HydrophobicContact CE2-CG1 4.36Å; F141-I184 HydrophobicContact CZ-CD1 3.74Å; F169-I184 HydrophobicContact CD2-CG2 4.4Å; F169-I184 HydrophobicContact CE2-CG2 3.81Å; F169-I184 HydrophobicContact CZ-CG2 4.45Å; L180-I184 WeakPolarHBondContact O-CG1 3.29Å; L180-I184 PolarHBondContact O-N 2.73Å; L180-I184 VanDerWaalsContact O-N 3.16Å; I184-H186 PolarHBondContact O-N 3.2Å; I184-Y190 HydrophobicContact CB-CE1 3.98Å; I184-Y190 HydrophobicContact CB-CE2 4.09Å; I184-Y190 HydrophobicContact CD1-CD1 4.06Å; I184-Y190 HydrophobicContact CD1-CD2 4.15Å; I184-Y190 HydrophobicContact CD1-CE1 4.1Å; I184-Y190 HydrophobicContact CD1-CE2 4.23Å; I184-Y190 HydrophobicContact CD1-CG 4.09Å; I184-Y190 HydrophobicContact CG1-CE2 4.46Å; I184-Y190 HydrophobicContact CG2-CE1 3.86Å
185R77.1Confident85.2Confident166 Ų16658.9 Ų58.963%0.62629%0.288SS*.  trans-74.3128.4178.9-60.3178.163.2118.9-4.6109.9D187 Y190R185-D187 VanDerWaalsContact C-N 3.3Å; R185-D187 WeakPolarHBondContact CB-OD1 3.44Å; R185-D187 IonicContact CZ-OD1 3Å; R185-D187 IonicContact CZ-OD2 3.11Å; R185-D187 IonicContact NE-OD1 3.22Å; R185-D187 PolarHBondContact NE-OD1 2.77Å; R185-D187 IonicContact NE-OD2 2.64Å; R185-D187 IonicContact NH2-OD1 2.85Å; R185-D187 IonicContact NH2-OD2 3.98Å; R185-D187 PolarHBondContact NH2-OD2 3.02Å; R185-D187 PolarHBondContact O-N 3.37Å; R185-Y190 VanDerWaalsContact O-CE2 3.29Å; R185-Y190 WeakPolarHBondContact O-CE2 3.49Å
186H75.1Confident85.4Confident80 Ų8052.4 Ų52.437%0.3726%0.259SS..THydrogen-bonded Turntrans-76.1-15.3176.6-64.3-48.3000113.8H138 F141 S181 I184 A188H138-H186 PolarHBondContact CE1-O 3.03Å; H138-H186 PolarHBondContact ND1-O 3.22Å; F141-H186 AromaticContact CD2-CE1 3.66Å; F141-H186 AromaticContact CD2-ND1 3.62Å; F141-H186 AromaticContact CG-CE1 3.99Å; S181-H186 PolarHBondContact O-CE1 2.82Å; S181-H186 PolarHBondContact O-NE2 2.92Å; I184-H186 PolarHBondContact O-N 3.2Å; H186-A188 VanDerWaalsContact C-N 3.32Å; H186-A188 PolarHBondContact O-N 3.13Å
187D72.8Confident85.6Confident96 Ų9656 Ų5651%0.51327%0.274SS..THydrogen-bonded Turntrans-82.4-0.6-178.770.8-19.1000115R185R185-D187 VanDerWaalsContact C-N 3.3Å; R185-D187 WeakPolarHBondContact CB-OD1 3.44Å; R185-D187 IonicContact CZ-OD1 3Å; R185-D187 IonicContact CZ-OD2 3.11Å; R185-D187 IonicContact NE-OD1 3.22Å; R185-D187 PolarHBondContact NE-OD1 2.77Å; R185-D187 IonicContact NE-OD2 2.64Å; R185-D187 IonicContact NH2-OD1 2.85Å; R185-D187 IonicContact NH2-OD2 3.98Å; R185-D187 PolarHBondContact NH2-OD2 3.02Å; R185-D187 PolarHBondContact O-N 3.37Å
188A72.9Confident85.9Confident23 Ų2358.7 Ų58.719%0.1929%0.286CS..SBendtrans-118.7142.2178.500000110.7H186 Y190H186-A188 VanDerWaalsContact C-N 3.32Å; H186-A188 PolarHBondContact O-N 3.13Å; A188-Y190 HydrophobicContact CB-CE2 4.28Å; A188-Y190 VanDerWaalsContact O-CD2 3.27Å; A188-Y190 WeakPolarHBondContact O-CD2 3.36Å
189P77.9Confident86.3Confident44 Ų4457.5 Ų57.529%0.28628%0.276SS..  trans-72.1134.3174.823-24.7000111T160T160-P189 WeakPolarHBondContact CB-O 3.4Å; T160-P189 HydrophobicContact CG2-CB 4.21Å; T160-P189 HydrophobicContact CG2-CG 4.49Å; T160-P189 WeakPolarHBondContact CG2-O 3.25Å; T160-P189 PolarHBondContact N-O 2.9Å; T160-P189 WeakPolarHBondContact OG1-CG 3Å; T160-P189 PolarHBondContact OG1-O 2.8Å
190Y84Confident86.6Confident15 Ų1556.2 Ų56.26%0.05927%0.267CS..EExtended strand (participates in β ladder)trans-108148.2175.7-81.4-100.8000111.3S134 V157 K158 N159 I184 R185 A188S134-Y190 WeakPolarHBondContact CA-O 3.36Å; S134-Y190 PolarHBondContact OG-O 3.09Å; S134-Y190 VanDerWaalsContact OG-O 3.09Å; V157-Y190 HydrophobicContact CG1-CD1 3.86Å; K158-Y190 WeakPolarHBondContact O-CD1 3.08Å; N159-Y190 HydrophobicContact CB-CD1 4.42Å; N159-Y190 HydrophobicContact CB-CE1 3.92Å; I184-Y190 HydrophobicContact CB-CE1 3.98Å; I184-Y190 HydrophobicContact CB-CE2 4.09Å; I184-Y190 HydrophobicContact CD1-CD1 4.06Å; I184-Y190 HydrophobicContact CD1-CD2 4.15Å; I184-Y190 HydrophobicContact CD1-CE1 4.1Å; I184-Y190 HydrophobicContact CD1-CE2 4.23Å; I184-Y190 HydrophobicContact CD1-CG 4.09Å; I184-Y190 HydrophobicContact CG1-CE2 4.46Å; I184-Y190 HydrophobicContact CG2-CE1 3.86Å; R185-Y190 VanDerWaalsContact O-CE2 3.29Å; R185-Y190 WeakPolarHBondContact O-CE2 3.49Å; A188-Y190 HydrophobicContact CB-CE2 4.28Å; A188-Y190 VanDerWaalsContact O-CD2 3.27Å; A188-Y190 WeakPolarHBondContact O-CD2 3.36Å
191L88.7Confident86.9Confident1 Ų155.6 Ų55.61%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-107.6123.7177.8-179.9157.2000108.1K115 F116 T132 K158 T160 Q193K115-L191 HydrophobicContact CB-CD1 3.82Å; F116-L191 HydrophobicContact CB-CD1 4.2Å; F116-L191 HydrophobicContact CD2-CD1 4.12Å; F116-L191 HydrophobicContact CD2-CG 4.42Å; T132-L191 HydrophobicContact CG2-CD1 3.9Å; T132-L191 HydrophobicContact CG2-CD2 3.67Å; T132-L191 HydrophobicContact CG2-CG 3.52Å; K158-L191 HydrophobicContact CB-CB 4.45Å; K158-L191 HydrophobicContact CB-CD2 4.35Å; K158-L191 HydrophobicContact CD-CD2 4.19Å; K158-L191 HydrophobicContact CG-CD2 4.37Å; K158-L191 PolarHBondContact N-O 3.39Å; K158-L191 PolarHBondContact O-N 2.88Å; T160-L191 HydrophobicContact CG2-CB 3.97Å; L191-Q193 HydrophobicContact CD2-CB 3.74Å
192F90.9Very high87.5Confident2 Ų259 Ų591%0.00928%0.279CS..EExtended strand (participates in β ladder)trans-108.4130178.2-60.5-89.2000107.7T132 F133 F141 M144 L151 M155 V156 V157 L177T132-F192 CarbonylContact C-O 3.59Å; T132-F192 VanDerWaalsContact CA-O 3.29Å; T132-F192 WeakPolarHBondContact CA-O 3.46Å; F133-F192 HydrophobicContact CD1-CB 3.88Å; F133-F192 HydrophobicContact CD2-CB 4.29Å; F133-F192 HydrophobicContact CD2-CD2 4.09Å; F133-F192 HydrophobicContact CE1-CB 3.39Å; F133-F192 HydrophobicContact CE1-CG 4.1Å; F133-F192 HydrophobicContact CE2-CB 3.86Å; F133-F192 AromaticContact CE2-CD2 3.46Å; F133-F192 HydrophobicContact CE2-CD2 3.46Å; F133-F192 VanDerWaalsContact CE2-CD2 3.46Å; F133-F192 HydrophobicContact CE2-CE2 4.29Å; F133-F192 AromaticContact CE2-CG 3.79Å; F133-F192 HydrophobicContact CE2-CG 3.79Å; F133-F192 HydrophobicContact CG-CB 4.29Å; F133-F192 HydrophobicContact CZ-CB 3.37Å; F133-F192 HydrophobicContact CZ-CD1 4.31Å; F133-F192 AromaticContact CZ-CD2 3.73Å; F133-F192 HydrophobicContact CZ-CD2 3.73Å; F133-F192 AromaticContact CZ-CG 3.53Å; F133-F192 HydrophobicContact CZ-CG 3.53Å; F133-F192 PolarHBondContact N-O 3.11Å; F133-F192 PolarHBondContact O-N 3.24Å; F141-F192 HydrophobicContact CZ-CZ 4.37Å; M144-F192 HydrophobicContact CE-CD1 4.5Å; M144-F192 HydrophobicContact CE-CE1 3.65Å; M144-F192 HydrophobicContact CE-CE2 4.07Å; M144-F192 HydrophobicContact CE-CZ 3.4Å; M144-F192 HydrophobicContact CG-CE2 4.19Å; M144-F192 HydrophobicContact CG-CZ 4.44Å; M144-F192 HydrophobicContact SD-CD1 4.06Å; M144-F192 HydrophobicContact SD-CD2 3.86Å; M144-F192 HydrophobicContact SD-CE1 3.7Å; M144-F192 HydrophobicContact SD-CE2 3.47Å; M144-F192 WeakPolarHBondContact SD-CE2 3.48Å; M144-F192 HydrophobicContact SD-CG 4.16Å; M144-F192 HydrophobicContact SD-CZ 3.4Å; M144-F192 WeakPolarHBondContact SD-CZ 3.48Å; L151-F192 HydrophobicContact CD1-CB 4.11Å; L151-F192 WeakPolarHBondContact CD1-O 3.46Å; M155-F192 HydrophobicContact SD-CD1 4.39Å; V156-F192 WeakPolarHBondContact O-CA 3.45Å; V157-F192 HydrophobicContact CB-CD1 4.41Å; V157-F192 HydrophobicContact CB-CE1 4.28Å; V157-F192 HydrophobicContact CG1-CD1 4.14Å; V157-F192 HydrophobicContact CG1-CE1 3.61Å; V157-F192 HydrophobicContact CG1-CZ 4.17Å; V157-F192 HydrophobicContact CG2-CD1 3.83Å; V157-F192 HydrophobicContact CG2-CE1 3.82Å; L177-F192 HydrophobicContact CD1-CD1 4.42Å; L177-F192 HydrophobicContact CD1-CE1 3.95Å
193Q94.4Very high88.1Confident2 Ų252 Ų521%0.00925%0.247CC..EExtended strand (participates in β ladder)trans-143.4136.9-166.3176.8165.19400111.7F119 P130 D131 T132 V156 L191 Y195F119-Q193 VanDerWaalsContact CZ-NE2 3.32Å; P130-Q193 HydrophobicContact CB-CG 3.85Å; P130-Q193 HydrophobicContact CG-CG 4.21Å; D131-Q193 CarbonylContact O-C 3.52Å; D131-Q193 WeakPolarHBondContact O-CA 3.47Å; T132-Q193 WeakPolarHBondContact OG1-CG 3.44Å; T132-Q193 PolarHBondContact OG1-NE2 3.32Å; V156-Q193 HydrophobicContact CB-CB 4.42Å; V156-Q193 PolarHBondContact N-O 3.04Å; V156-Q193 PolarHBondContact O-N 3.27Å; L191-Q193 HydrophobicContact CD2-CB 3.74Å; Q193-Y195 PolarHBondContact O-N 3.41Å
194K95.3Very high88.9Confident82 Ų8245.9 Ų45.936%0.35722%0.215SC..EExtended strand (participates in β ladder)trans-53.4130.6174-178.4168.1-177.1164.30111.2D131 V196D131-K194 HydrophobicContact CB-CB 4.03Å; D131-K194 HydrophobicContact CB-CD 3.96Å; D131-K194 WeakPolarHBondContact O-CB 3.46Å; D131-K194 PolarHBondContact O-N 3.5Å; D131-K194 WeakPolarHBondContact OD2-CD 3.42Å; D131-K194 WeakPolarHBondContact OD2-CE 3.44Å; D131-K194 IonicContact OD2-NZ 2.73Å; D131-K194 PolarHBondContact OD2-NZ 3.02Å; K194-V196 PolarHBondContact O-N 3.15Å
195Y95.9Very high89.8Confident50 Ų5046.1 Ų46.120%0.19622%0.215CC..  trans-76.5121.4179.3172.5-110000111.3P154 V156 L170 Q193 K197 H200 M226P154-Y195 HydrophobicContact CB-CD1 4.49Å; P154-Y195 HydrophobicContact CG-CD1 3.47Å; P154-Y195 VanDerWaalsContact CG-CD1 3.47Å; P154-Y195 HydrophobicContact CG-CE1 3.94Å; P154-Y195 HydrophobicContact CG-CG 4.02Å; P154-Y195 WeakPolarHBondContact O-CB 3.32Å; V156-Y195 HydrophobicContact CG2-CD2 3.99Å; L170-Y195 HydrophobicContact CD1-CD2 3.41Å; L170-Y195 VanDerWaalsContact CD1-CD2 3.41Å; L170-Y195 HydrophobicContact CD1-CE2 3.76Å; L170-Y195 HydrophobicContact CD1-CG 3.89Å; L170-Y195 HydrophobicContact CD2-CE2 4.06Å; Q193-Y195 PolarHBondContact O-N 3.41Å; Y195-K197 HydrophobicContact CD1-CB 3.93Å; Y195-K197 VanDerWaalsContact CE1-CA 3.5Å; Y195-K197 HydrophobicContact CE1-CB 3.5Å; Y195-K197 VanDerWaalsContact CE1-CB 3.5Å; Y195-K197 PolarHBondContact O-N 3.47Å; Y195-H200 AromaticContact CE2-ND1 3.94Å; Y195-H200 AromaticContact CZ-ND1 3.9Å; Y195-H200 VanDerWaalsContact OH-CB 3.31Å; Y195-H200 WeakPolarHBondContact OH-CB 3.44Å; Y195-H200 PolarHBondContact OH-ND1 2.86Å; Y195-M226 HydrophobicContact CD2-SD 3.85Å; Y195-M226 HydrophobicContact CE2-CG 4.12Å; Y195-M226 HydrophobicContact CE2-SD 3.8Å
196V96.3Very high90.8Very high12 Ų1238.2 Ų38.27%0.07319%0.186CC..  trans-90.587.9176.1-172.80000108.5P130 K194 E198 S199 L266 M267 Y274P130-V196 HydrophobicContact CB-CG2 4.07Å; P130-V196 HydrophobicContact CG-CG2 4.14Å; K194-V196 PolarHBondContact O-N 3.15Å; V196-E198 PolarHBondContact O-N 3.3Å; V196-S199 CarbonylContact O-C 3.52Å; V196-S199 PolarHBondContact O-N 3.05Å; V196-L266 HydrophobicContact CB-CB 4.38Å; V196-L266 HydrophobicContact CB-CD1 4Å; V196-L266 HydrophobicContact CG1-CB 4.27Å; V196-L266 HydrophobicContact CG2-CB 4.46Å; V196-L266 HydrophobicContact CG2-CD1 3.7Å; V196-M267 VanDerWaalsContact CG1-O 3.23Å; V196-M267 WeakPolarHBondContact CG1-O 3.18Å; V196-Y274 HydrophobicContact CG1-CD2 4.23Å; V196-Y274 HydrophobicContact CG2-CD2 3.77Å; V196-Y274 HydrophobicContact CG2-CE2 4.17Å
197K95.5Very high91.9Very high143 Ų14334.4 Ų34.462%0.62217%0.168SC*.G310 helixtrans-57.5-32.9-174.566.7-176.2179.4-174.40113Y195 S199 H200Y195-K197 HydrophobicContact CD1-CB 3.93Å; Y195-K197 VanDerWaalsContact CE1-CA 3.5Å; Y195-K197 HydrophobicContact CE1-CB 3.5Å; Y195-K197 VanDerWaalsContact CE1-CB 3.5Å; Y195-K197 PolarHBondContact O-N 3.47Å; K197-S199 PolarHBondContact O-N 2.86Å; K197-H200 WeakPolarHBondContact O-CB 3.23Å; K197-H200 PolarHBondContact O-N 2.69Å; K197-H200 VanDerWaalsContact O-N 3.12Å
198E96.3Very high93.2Very high58 Ų5829.9 Ų29.927%0.27114%0.143SC..G310 helixtrans-65-21.2177.9-64.775.7-160.300112.7V196 K202 D269V196-E198 PolarHBondContact O-N 3.3Å; E198-K202 WeakPolarHBondContact O-CE 3.1Å; E198-K202 PolarHBondContact O-NZ 3.2Å; E198-K202 VanDerWaalsContact O-NZ 3.11Å; E198-D269 HydrophobicContact CG-CB 3.91Å
199S96.3Very high94.4Very high6 Ų629 Ų294%0.04214%0.136CC..G310 helixtrans-107.816.6177.8-142.20000112.4V196 K197 G201 K202 L266 M267V196-S199 CarbonylContact O-C 3.52Å; V196-S199 PolarHBondContact O-N 3.05Å; K197-S199 PolarHBondContact O-N 2.86Å; S199-G201 PolarHBondContact O-N 2.95Å; S199-K202 CarbonylContact C-O 3.56Å; S199-K202 PolarHBondContact O-N 2.9Å; S199-K202 VanDerWaalsContact O-N 3.12Å; S199-K202 PolarHBondContact OG-O 2.75Å; S199-L266 WeakPolarHBondContact OG-CA 3.46Å; S199-M267 WeakPolarHBondContact OG-CE 3.47Å; S199-M267 PolarHBondContact OG-N 3.04Å
200H95.4Very high95.3Very high70 Ų7028 Ų2832%0.32413%0.134SC..THydrogen-bonded Turntrans-59.3123.5177.7-179.564.8000111.6Y195 K197 K202 G224 M226Y195-H200 AromaticContact CE2-ND1 3.94Å; Y195-H200 AromaticContact CZ-ND1 3.9Å; Y195-H200 VanDerWaalsContact OH-CB 3.31Å; Y195-H200 WeakPolarHBondContact OH-CB 3.44Å; Y195-H200 PolarHBondContact OH-ND1 2.86Å; K197-H200 WeakPolarHBondContact O-CB 3.23Å; K197-H200 PolarHBondContact O-N 2.69Å; K197-H200 VanDerWaalsContact O-N 3.12Å; H200-K202 PolarHBondContact O-N 3.3Å; H200-G224 PolarHBondContact CE1-O 2.6Å; H200-G224 PolarHBondContact NE2-O 3.4Å; H200-M226 VanDerWaalsContact CE1-CA 3.44Å; H200-M226 WeakPolarHBondContact CE1-CA 3.38Å; H200-M226 PolarHBondContact CE1-N 2.8Å
201G94.4Very high95.9Very high8 Ų828.6 Ų28.68%0.08214%0.144CC..THydrogen-bonded Turntrans69.58.717900000114.2S199 C220 S221 R225 M226S199-G201 PolarHBondContact O-N 2.95Å; G201-C220 CarbonylContact O-C 3.53Å; G201-C220 WeakPolarHBondContact O-CA 3.41Å; G201-S221 PolarHBondContact O-N 3.28Å; G201-R225 WeakPolarHBondContact CA-O 3.38Å; G201-M226 VanDerWaalsContact CA-O 3.3Å; G201-M226 WeakPolarHBondContact CA-O 3.42Å; G201-M226 PolarHBondContact N-O 3.49Å
202K94.9Very high96.3Very high80 Ų8037.8 Ų37.835%0.34818%0.179SC..EExtended strand (participates in β ladder)trans-147.3143.2-179.257.4172.4-176.2171.50113.7E198 S199 H200 L218 R219 M267E198-K202 WeakPolarHBondContact O-CE 3.1Å; E198-K202 PolarHBondContact O-NZ 3.2Å; E198-K202 VanDerWaalsContact O-NZ 3.11Å; S199-K202 CarbonylContact C-O 3.56Å; S199-K202 PolarHBondContact O-N 2.9Å; S199-K202 VanDerWaalsContact O-N 3.12Å; S199-K202 PolarHBondContact OG-O 2.75Å; H200-K202 PolarHBondContact O-N 3.3Å; K202-L218 HydrophobicContact CB-CD1 4.36Å; K202-R219 WeakPolarHBondContact CA-O 3.32Å; K202-M267 HydrophobicContact CB-CE 4.01Å; K202-M267 HydrophobicContact CD-CE 3.71Å; K202-M267 HydrophobicContact CD-SD 4.18Å; K202-M267 HydrophobicContact CG-CE 3.61Å
203D96.6Very high96.7Very high5 Ų539.6 Ų39.63%0.02719%0.19CC..EExtended strand (participates in β ladder)trans-153.5162.317485.5-64.3000111.6R219 S228 L266D203-R219 PolarHBondContact N-O 3.14Å; D203-R219 VanDerWaalsContact N-O 3.09Å; D203-R219 PolarHBondContact O-N 2.96Å; D203-R219 IonicContact OD1-CZ 2.69Å; D203-R219 IonicContact OD1-NE 3.65Å; D203-R219 PolarHBondContact OD1-NE 3.41Å; D203-R219 IonicContact OD1-NH2 3.67Å; D203-R219 PolarHBondContact OD1-NH2 2.83Å; D203-R219 IonicContact OD2-CZ 3.82Å; D203-R219 IonicContact OD2-NE 2.7Å; D203-R219 PolarHBondContact OD2-NE 3.35Å; D203-R219 IonicContact OD2-NH2 3.43Å; D203-R219 PolarHBondContact OD2-NH2 3.1Å; D203-S228 WeakPolarHBondContact OD1-CB 3.49Å; D203-S228 PolarHBondContact OD1-OG 3.28Å; D203-L266 HydrophobicContact CB-CD2 4.13Å
204V97.5Very high96.8Very high7 Ų740.9 Ų40.94%0.04220%0.198CC..EExtended strand (participates in β ladder)trans-107.5114.2177.1-176.90000110.5V206 L218 L241 L265 M267V204-V206 HydrophobicContact CG1-CG2 4.26Å; V204-L218 HydrophobicContact CG2-CD1 4.11Å; V204-L241 HydrophobicContact CG1-CD1 4.36Å; V204-L265 HydrophobicContact CB-CB 4.44Å; V204-L265 PolarHBondContact N-O 3Å; V204-L265 PolarHBondContact O-N 3.32Å; V204-M267 HydrophobicContact CG2-CE 4.47Å
205R98Very high97Very high19 Ų1937.7 Ų37.77%0.07219%0.188CC..EExtended strand (participates in β ladder)trans-81.4116.3168.2171.666.558.3154.3-12.8108.8I207 M217 R219 D264 N279 F287R205-I207 HydrophobicContact CG-CG1 4.47Å; R205-M217 HydrophobicContact CB-CE 4.4Å; R205-M217 HydrophobicContact CG-CE 4.47Å; R205-M217 PolarHBondContact N-O 2.79Å; R205-M217 PolarHBondContact O-N 3.01Å; R205-R219 VanDerWaalsContact NH2-NH1 3.16Å; R205-D264 WeakPolarHBondContact CD-OD1 3.41Å; R205-D264 IonicContact CZ-OD1 2.7Å; R205-D264 IonicContact CZ-OD2 3.32Å; R205-D264 IonicContact NE-OD1 2.69Å; R205-D264 PolarHBondContact NE-OD1 3.49Å; R205-D264 IonicContact NE-OD2 3.04Å; R205-D264 IonicContact NH2-OD1 3.52Å; R205-D264 PolarHBondContact NH2-OD1 2.96Å; R205-D264 IonicContact NH2-OD2 2.67Å; R205-D264 PolarHBondContact NH2-OD2 3.15Å; R205-N279 PolarHBondContact NH1-ND2 3.39Å; R205-N279 PolarHBondContact NH2-ND2 3.23Å; R205-F287 HydrophobicContact CG-CD2 4.04Å; R205-F287 HydrophobicContact CG-CE2 4.32Å
206V98.5Very high97.1Very high0 Ų035.9 Ų35.90%018%0.182CC..EExtended strand (participates in β ladder)trans-102.4127.6170.6-166.90000108.5V204 V208 V213 T216 L241 A249 G262 I263 L265V204-V206 HydrophobicContact CG1-CG2 4.26Å; V206-V208 HydrophobicContact CG1-CG2 4.25Å; V206-V213 HydrophobicContact CG1-CB 4.29Å; V206-V213 HydrophobicContact CG1-CG1 3.63Å; V206-V213 HydrophobicContact CG1-CG2 3.76Å; V206-T216 HydrophobicContact CB-CG2 4.28Å; V206-T216 HydrophobicContact CG1-CG2 3.87Å; V206-T216 HydrophobicContact CG2-CG2 4.05Å; V206-L241 HydrophobicContact CG2-CD2 3.59Å; V206-A249 HydrophobicContact CB-CB 3.88Å; V206-A249 HydrophobicContact CG1-CB 3.61Å; V206-A249 HydrophobicContact CG2-CB 4.08Å; V206-G262 CarbonylContact O-C 3.59Å; V206-G262 VanDerWaalsContact O-CA 3.3Å; V206-G262 WeakPolarHBondContact O-CA 3.46Å; V206-I263 HydrophobicContact CB-CB 4.49Å; V206-I263 PolarHBondContact N-O 3.22Å; V206-I263 PolarHBondContact O-N 2.7Å; V206-L265 HydrophobicContact CG2-CD1 3.76Å; V206-L265 HydrophobicContact CG2-CG 4.16Å
207I98.4Very high97.1Very high0 Ų035.7 Ų35.70%018%0.181CC..EExtended strand (participates in β ladder)trans-99.5132.1168.1-61-169.7000109R205 V209 V213 V214 G215 C261 V282 F284 F287 V295R205-I207 HydrophobicContact CG-CG1 4.47Å; I207-V209 HydrophobicContact CG2-CG2 4.38Å; I207-V213 WeakPolarHBondContact O-CA 3.4Å; I207-V214 HydrophobicContact CB-CG2 3.7Å; I207-V214 HydrophobicContact CG2-CG2 3.55Å; I207-V214 PolarHBondContact O-N 2.97Å; I207-G215 PolarHBondContact N-O 3.05Å; I207-C261 WeakPolarHBondContact CA-O 3.38Å; I207-V282 HydrophobicContact CD1-CG2 3.96Å; I207-V282 HydrophobicContact CG1-CG2 4.22Å; I207-F284 HydrophobicContact CD1-CB 3.65Å; I207-F287 HydrophobicContact CB-CE1 4.07Å; I207-F287 HydrophobicContact CB-CE2 4.28Å; I207-F287 HydrophobicContact CB-CZ 3.77Å; I207-F287 HydrophobicContact CD1-CB 4.18Å; I207-F287 HydrophobicContact CD1-CD1 3.49Å; I207-F287 VanDerWaalsContact CD1-CD1 3.49Å; I207-F287 HydrophobicContact CD1-CD2 3.85Å; I207-F287 HydrophobicContact CD1-CE1 3.64Å; I207-F287 HydrophobicContact CD1-CE2 3.99Å; I207-F287 HydrophobicContact CD1-CG 3.58Å; I207-F287 HydrophobicContact CD1-CZ 3.86Å; I207-F287 HydrophobicContact CG1-CD1 4.21Å; I207-F287 HydrophobicContact CG1-CD2 3.98Å; I207-F287 HydrophobicContact CG1-CE1 3.92Å; I207-F287 HydrophobicContact CG1-CE2 3.68Å; I207-F287 HydrophobicContact CG1-CG 4.21Å; I207-F287 HydrophobicContact CG1-CZ 3.62Å; I207-V295 HydrophobicContact CG2-CG1 4.32Å
208V98.8Very high97.1Very high0 Ų029.8 Ų29.80%016%0.156CC..EExtended strand (participates in β ladder)trans-119.4131177.5-176.80000108.7V206 R212 V213 A249 V250 V260 C261V206-V208 HydrophobicContact CG1-CG2 4.25Å; V208-R212 CarbonylContact C-O 3.44Å; V208-R212 VanDerWaalsContact CA-O 3.27Å; V208-R212 WeakPolarHBondContact CA-O 3.3Å; V208-R212 WeakPolarHBondContact CG1-O 3.34Å; V208-V213 HydrophobicContact CG2-CG2 4.26Å; V208-A249 HydrophobicContact CG2-CB 4.12Å; V208-V250 HydrophobicContact CG1-CG2 4.36Å; V208-V260 WeakPolarHBondContact O-CA 3.33Å; V208-C261 PolarHBondContact N-O 3.43Å; V208-C261 PolarHBondContact O-N 3.22Å
209V98.6Very high97.1Very high6 Ų627.9 Ų27.94%0.03615%0.146CC..EExtended strand (participates in β ladder)trans-129.1126.9172.4-179.20000108.6I207 G211 R212 V214 D259 V260 I298 I299 Y302I207-V209 HydrophobicContact CG2-CG2 4.38Å; V209-G211 VanDerWaalsContact C-N 3.27Å; V209-G211 PolarHBondContact O-N 2.94Å; V209-R212 PolarHBondContact N-O 2.91Å; V209-R212 PolarHBondContact O-N 2.86Å; V209-V214 HydrophobicContact CB-CG1 3.71Å; V209-V214 HydrophobicContact CG2-CG1 3.74Å; V209-V214 HydrophobicContact CG2-CG2 4.48Å; V209-D259 CarbonylContact C-O 3.54Å; V209-D259 VanDerWaalsContact CA-O 3.24Å; V209-D259 WeakPolarHBondContact CA-O 3.46Å; V209-V260 HydrophobicContact CG1-CG2 4.34Å; V209-I298 HydrophobicContact CB-CG2 4.17Å; V209-I298 HydrophobicContact CG1-CG2 4.16Å; V209-I298 HydrophobicContact CG2-CG2 4.37Å; V209-I299 HydrophobicContact CG1-CG1 4.42Å; V209-I299 HydrophobicContact CG2-CG1 4.05Å; V209-Y302 HydrophobicContact CG1-CD1 3.98Å; V209-Y302 HydrophobicContact CG1-CG 3.96Å
210G97Very high96.9Very high23 Ų2328.4 Ų28.424%0.23715%0.15CC..THydrogen-bonded Turntrans57.236177.700000114.4R212 D259 Y302G210-R212 VanDerWaalsContact C-N 3.32Å; G210-R212 PolarHBondContact O-N 2.91Å; G210-D259 PolarHBondContact N-O 3.36Å; G210-Y302 VanDerWaalsContact CA-CE2 3.45Å
211G96.4Very high96.8Very high27 Ų2726.2 Ų26.228%0.27814%0.142SC..THydrogen-bonded Turntrans72.418.6-176.300000114.7V209 V250V209-G211 VanDerWaalsContact C-N 3.27Å; V209-G211 PolarHBondContact O-N 2.94Å; G211-V250 WeakPolarHBondContact O-CG1 3.2Å
212R97.9Very high96.5Very high193 Ų19328.9 Ų28.973%0.72816%0.157SC*.EExtended strand (participates in β ladder)trans-125135.2176.5-59.5-179-178.2-174.90.1111.1V208 V209 G210 V214V208-R212 CarbonylContact C-O 3.44Å; V208-R212 VanDerWaalsContact CA-O 3.27Å; V208-R212 WeakPolarHBondContact CA-O 3.3Å; V208-R212 WeakPolarHBondContact CG1-O 3.34Å; V209-R212 PolarHBondContact N-O 2.91Å; V209-R212 PolarHBondContact O-N 2.86Å; G210-R212 VanDerWaalsContact C-N 3.32Å; G210-R212 PolarHBondContact O-N 2.91Å; R212-V214 PolarHBondContact O-N 3.22Å
213V98.5Very high96.1Very high40 Ų4029 Ų2924%0.24216%0.162CC..EExtended strand (participates in β ladder)trans-66.6119.9169176.60000108.8V206 I207 V208 T216 K246 V250V206-V213 HydrophobicContact CG1-CB 4.29Å; V206-V213 HydrophobicContact CG1-CG1 3.63Å; V206-V213 HydrophobicContact CG1-CG2 3.76Å; I207-V213 WeakPolarHBondContact O-CA 3.4Å; V208-V213 HydrophobicContact CG2-CG2 4.26Å; V213-T216 HydrophobicContact CG1-CG2 4.01Å; V213-K246 HydrophobicContact CG2-CB 3.94Å; V213-K246 HydrophobicContact CG2-CG 4.19Å; V213-V250 HydrophobicContact CG2-CG2 4.02Å
214V97.4Very high95.4Very high30 Ų3031.5 Ų31.518%0.18219%0.188CC..EExtended strand (participates in β ladder)trans-90.9-22.8177.8-54.10000112.3I207 V209 R212 L293 V295 I298I207-V214 HydrophobicContact CB-CG2 3.7Å; I207-V214 HydrophobicContact CG2-CG2 3.55Å; I207-V214 PolarHBondContact O-N 2.97Å; V209-V214 HydrophobicContact CB-CG1 3.71Å; V209-V214 HydrophobicContact CG2-CG1 3.74Å; V209-V214 HydrophobicContact CG2-CG2 4.48Å; R212-V214 PolarHBondContact O-N 3.22Å; V214-L293 WeakPolarHBondContact O-CD1 3.43Å; V214-V295 HydrophobicContact CG2-CG2 4.24Å; V214-I298 HydrophobicContact CB-CD1 4.23Å; V214-I298 HydrophobicContact CG1-CD1 4.47Å; V214-I298 HydrophobicContact CG1-CG2 3.79Å
215G97.5Very high94.8Very high14 Ų1436.4 Ų36.414%0.14421%0.206CC..EExtended strand (participates in β ladder)trans178.3173.6176.400000112.2I207 F287I207-G215 PolarHBondContact N-O 3.05Å; G215-F287 WeakPolarHBondContact O-CZ 3.43Å
216T97.9Very high94.4Very high13 Ų1336.8 Ų36.88%0.0821%0.209CC..EExtended strand (participates in β ladder)trans-143.3128.1-175.838.60000111V206 V213 C239 L241V206-T216 HydrophobicContact CB-CG2 4.28Å; V206-T216 HydrophobicContact CG1-CG2 3.87Å; V206-T216 HydrophobicContact CG2-CG2 4.05Å; V213-T216 HydrophobicContact CG1-CG2 4.01Å; T216-C239 PolarHBondContact O-N 3.1Å; T216-C239 PolarHBondContact OG1-O 2.82Å; T216-L241 HydrophobicContact CG2-CB 3.74Å; T216-L241 HydrophobicContact CG2-CD2 3.68Å; T216-L241 HydrophobicContact CG2-CG 4.36Å
217M97Very high93.8Very high7 Ų738.5 Ų38.53%0.03422%0.217CC..EExtended strand (participates in β ladder)trans-124.4118.4-177.3179.9175.773.100110.1R205 R219 M237 F287 A290R205-M217 HydrophobicContact CB-CE 4.4Å; R205-M217 HydrophobicContact CG-CE 4.47Å; R205-M217 PolarHBondContact N-O 2.79Å; R205-M217 PolarHBondContact O-N 3.01Å; M217-R219 HydrophobicContact CE-CG 3.82Å; M217-R219 HydrophobicContact CG-CG 4.42Å; M217-M237 CarbonylContact C-O 3.55Å; M217-M237 VanDerWaalsContact CA-O 3.29Å; M217-M237 WeakPolarHBondContact CA-O 3.3Å; M217-M237 WeakPolarHBondContact CG-O 3.3Å; M217-F287 HydrophobicContact CB-CD2 3.56Å; M217-F287 HydrophobicContact CB-CE2 3.82Å; M217-F287 HydrophobicContact CE-CB 4.15Å; M217-F287 HydrophobicContact CE-CD2 4.15Å; M217-F287 HydrophobicContact CG-CD2 4.49Å; M217-F287 HydrophobicContact SD-CB 4.2Å; M217-F287 HydrophobicContact SD-CD2 4.23Å; M217-A290 HydrophobicContact CG-CB 4.25Å; M217-A290 HydrophobicContact SD-CB 3.64Å
218L96.3Very high93.1Very high20 Ų2038.9 Ų38.911%0.10522%0.22CC..EExtended strand (participates in β ladder)trans-73.6130.1166.2177.766.9000107.3K202 V204 G236 M237 C239 M267K202-L218 HydrophobicContact CB-CD1 4.36Å; V204-L218 HydrophobicContact CG2-CD1 4.11Å; L218-G236 WeakPolarHBondContact O-CA 3.43Å; L218-M237 HydrophobicContact CB-CG 4.11Å; L218-M237 HydrophobicContact CD2-SD 4.31Å; L218-M237 PolarHBondContact N-O 3.37Å; L218-M237 PolarHBondContact O-N 3.28Å; L218-C239 HydrophobicContact CB-CB 3.82Å; L218-C239 PolarHBondContact N-SG 3.28Å; L218-M267 HydrophobicContact CD1-CE 4.08Å; L218-M267 HydrophobicContact CD1-SD 4.46Å
219R94.9Very high92.1Very high17 Ų1740 Ų406%0.06423%0.225CC..EExtended strand (participates in β ladder)trans-110.9134.6172.3-50.1-172.7-64.9-160-1.1108.5K202 D203 R205 M217 S228 N229 V235 D264K202-R219 WeakPolarHBondContact CA-O 3.32Å; D203-R219 PolarHBondContact N-O 3.14Å; D203-R219 VanDerWaalsContact N-O 3.09Å; D203-R219 PolarHBondContact O-N 2.96Å; D203-R219 IonicContact OD1-CZ 2.69Å; D203-R219 IonicContact OD1-NE 3.65Å; D203-R219 PolarHBondContact OD1-NE 3.41Å; D203-R219 IonicContact OD1-NH2 3.67Å; D203-R219 PolarHBondContact OD1-NH2 2.83Å; D203-R219 IonicContact OD2-CZ 3.82Å; D203-R219 IonicContact OD2-NE 2.7Å; D203-R219 PolarHBondContact OD2-NE 3.35Å; D203-R219 IonicContact OD2-NH2 3.43Å; D203-R219 PolarHBondContact OD2-NH2 3.1Å; R205-R219 VanDerWaalsContact NH2-NH1 3.16Å; M217-R219 HydrophobicContact CE-CG 3.82Å; M217-R219 HydrophobicContact CG-CG 4.42Å; R219-S228 WeakPolarHBondContact CB-O 3.36Å; R219-S228 WeakPolarHBondContact O-CB 3.25Å; R219-N229 PolarHBondContact NH2-ND2 2.82Å; R219-V235 CarbonylContact C-O 3.52Å; R219-V235 WeakPolarHBondContact CA-O 3.23Å; R219-D264 IonicContact CZ-OD1 3.5Å; R219-D264 IonicContact CZ-OD2 3.4Å; R219-D264 IonicContact NH1-OD1 3.37Å; R219-D264 IonicContact NH1-OD2 3.41Å; R219-D264 IonicContact NH2-OD1 2.77Å; R219-D264 PolarHBondContact NH2-OD1 3.41Å; R219-D264 IonicContact NH2-OD2 2.62Å; R219-D264 PolarHBondContact NH2-OD2 3.08Å
220C92.9Very high90.9Very high17 Ų1741.6 Ų41.612%0.11524%0.236CC..EExtended strand (participates in β ladder)trans-126.5136.9179.5-65.60000110.5G201 G234 V235 I381G201-C220 CarbonylContact O-C 3.53Å; G201-C220 WeakPolarHBondContact O-CA 3.41Å; C220-G234 CarbonylContact O-C 3.58Å; C220-G234 WeakPolarHBondContact O-CA 3.44Å; C220-V235 PolarHBondContact N-O 2.82Å; C220-V235 PolarHBondContact O-N 3.19Å; C220-I381 HydrophobicContact CB-CD1 4.2Å
221S92.6Very high89.7Confident24 Ų2443.8 Ų43.817%0.16825%0.248CC..  trans-68.9144167.6-1800000110.6G201 D223 R225G201-S221 PolarHBondContact O-N 3.28Å; S221-D223 PolarHBondContact OG-OD1 2.73Å; S221-R225 WeakPolarHBondContact CB-O 3.34Å; S221-R225 PolarHBondContact OG-N 3.4Å; S221-R225 PolarHBondContact OG-O 2.64Å
222T88.9Confident88.6Confident65 Ų6545.2 Ų45.240%0.39925%0.249SC..SBendtrans-104.2-7.3-178.1450000113.5G233 V235 L377T222-G233 PolarHBondContact OG1-O 3.34Å; T222-V235 HydrophobicContact CG2-CB 4.42Å; T222-V235 HydrophobicContact CG2-CG2 3.63Å; T222-L377 HydrophobicContact CG2-CD1 4.33Å
223D85.5Confident87.7Confident83 Ų8337.8 Ų37.844%0.44423%0.232SC..SBendtrans-128.614.5-173.159.529.2000113.6S221 R225S221-D223 PolarHBondContact OG-OD1 2.73Å; D223-R225 PolarHBondContact O-N 3.28Å; D223-R225 WeakPolarHBondContact OD1-CB 3.4Å; D223-R225 WeakPolarHBondContact OD1-CG 3.43Å; D223-R225 IonicContact OD1-CZ 3.3Å; D223-R225 PolarHBondContact OD1-N 3.36Å; D223-R225 IonicContact OD1-NE 2.73Å; D223-R225 PolarHBondContact OD1-NE 3.34Å; D223-R225 IonicContact OD1-NH2 3.41Å; D223-R225 IonicContact OD2-CZ 2.8Å; D223-R225 IonicContact OD2-NE 3.22Å; D223-R225 PolarHBondContact OD2-NE 2.83Å; D223-R225 IonicContact OD2-NH2 3.42Å; D223-R225 PolarHBondContact OD2-NH2 3.3Å
224G82.4Confident87Confident56 Ų5636.3 Ų36.358%0.57723%0.225SC*.SBendtrans77-1.8178.700000115H200H200-G224 PolarHBondContact CE1-O 2.6Å; H200-G224 PolarHBondContact NE2-O 3.4Å
225R86Confident86.5Confident110 Ų11035.4 Ų35.442%0.41522%0.22SC..  trans-65.4152170.6-69.2-177.1-68.5170.40.7111.4G201 S221 D223 Q227 L232G201-R225 WeakPolarHBondContact CA-O 3.38Å; S221-R225 WeakPolarHBondContact CB-O 3.34Å; S221-R225 PolarHBondContact OG-N 3.4Å; S221-R225 PolarHBondContact OG-O 2.64Å; D223-R225 PolarHBondContact O-N 3.28Å; D223-R225 WeakPolarHBondContact OD1-CB 3.4Å; D223-R225 WeakPolarHBondContact OD1-CG 3.43Å; D223-R225 IonicContact OD1-CZ 3.3Å; D223-R225 PolarHBondContact OD1-N 3.36Å; D223-R225 IonicContact OD1-NE 2.73Å; D223-R225 PolarHBondContact OD1-NE 3.34Å; D223-R225 IonicContact OD1-NH2 3.41Å; D223-R225 IonicContact OD2-CZ 2.8Å; D223-R225 IonicContact OD2-NE 3.22Å; D223-R225 PolarHBondContact OD2-NE 2.83Å; D223-R225 IonicContact OD2-NH2 3.42Å; D223-R225 PolarHBondContact OD2-NH2 3.3Å; R225-Q227 VanDerWaalsContact C-N 3.28Å; R225-Q227 PolarHBondContact O-N 2.68Å; R225-L232 PolarHBondContact NH2-O 3.34Å
226M89.4Confident86.2Confident28 Ų2835.8 Ų35.814%0.13822%0.224CC..SBendtrans-64.6-31.2179.1-179.9-170.970.600112.9V156 V168 L170 Y195 H200 G201 S228V156-M226 HydrophobicContact CG1-CE 3.74Å; V156-M226 HydrophobicContact CG1-SD 4.44Å; V156-M226 HydrophobicContact CG2-CE 4.06Å; V156-M226 HydrophobicContact CG2-SD 3.64Å; V168-M226 HydrophobicContact CG1-CE 3.67Å; L170-M226 HydrophobicContact CB-SD 4.29Å; L170-M226 HydrophobicContact CD1-SD 4.02Å; Y195-M226 HydrophobicContact CD2-SD 3.85Å; Y195-M226 HydrophobicContact CE2-CG 4.12Å; Y195-M226 HydrophobicContact CE2-SD 3.8Å; H200-M226 VanDerWaalsContact CE1-CA 3.44Å; H200-M226 WeakPolarHBondContact CE1-CA 3.38Å; H200-M226 PolarHBondContact CE1-N 2.8Å; G201-M226 VanDerWaalsContact CA-O 3.3Å; G201-M226 WeakPolarHBondContact CA-O 3.42Å; G201-M226 PolarHBondContact N-O 3.49Å; M226-S228 PolarHBondContact O-N 3.29Å
227Q86.3Confident86Confident36 Ų3636.4 Ų36.417%0.16823%0.226CC..  trans-79111-176.4-55.982.2-10.300110.5V168 R225 L232V168-Q227 HydrophobicContact CB-CG 4.42Å; V168-Q227 HydrophobicContact CG1-CG 4.24Å; V168-Q227 PolarHBondContact O-NE2 2.89Å; R225-Q227 VanDerWaalsContact C-N 3.28Å; R225-Q227 PolarHBondContact O-N 2.68Å; Q227-L232 HydrophobicContact CB-CD1 3.8Å; Q227-L232 HydrophobicContact CG-CD1 4.33Å
228S82.1Confident85.9Confident8 Ų842 Ų426%0.05625%0.254CS..  trans-82.5-5.8178.647.60000114.7D203 R219 M226 C230D203-S228 WeakPolarHBondContact OD1-CB 3.49Å; D203-S228 PolarHBondContact OD1-OG 3.28Å; R219-S228 WeakPolarHBondContact CB-O 3.36Å; R219-S228 WeakPolarHBondContact O-CB 3.25Å; M226-S228 PolarHBondContact O-N 3.29Å; S228-C230 PolarHBondContact O-N 3.06Å
229N78.3Confident85.8Confident23 Ų2342.4 Ų42.412%0.12326%0.258CS..  trans-60.7128.9-169.8-5490000112.2R219 S231 L232R219-N229 PolarHBondContact NH2-ND2 2.82Å; N229-S231 PolarHBondContact O-N 2.83Å; N229-L232 PolarHBondContact O-N 3.01Å
230C73.8Confident85.8Confident39 Ų3947.4 Ų47.426%0.26430%0.296SS..G310 helixtrans-59.1-23.1-179.7-48.60000114.1S228 L232 G233 G234 A286S228-C230 PolarHBondContact O-N 3.06Å; C230-L232 PolarHBondContact O-N 3.23Å; C230-G233 PolarHBondContact O-N 3.06Å; C230-G234 VanDerWaalsContact CA-O 3.28Å; C230-G234 WeakPolarHBondContact CA-O 3.29Å; C230-A286 HydrophobicContact CB-CB 4.34Å
231S71.6Confident85.9Confident70 Ų7047.3 Ų47.349%0.4929%0.294SS..G310 helixtrans-66.6-11.6173.152.20000114.7R164 N229R164-S231 WeakPolarHBondContact CB-OG 3.39Å; R164-S231 PolarHBondContact O-OG 3.38Å; N229-S231 PolarHBondContact O-N 2.83Å
232L74.3Confident86.1Confident56 Ų5648.6 Ų48.629%0.29330%0.303SS..G310 helixtrans-111.57.9179.2-61.5177.9000113.1R225 Q227 N229 C230R225-L232 PolarHBondContact NH2-O 3.34Å; Q227-L232 HydrophobicContact CB-CD1 3.8Å; Q227-L232 HydrophobicContact CG-CD1 4.33Å; N229-L232 PolarHBondContact O-N 3.01Å; C230-L232 PolarHBondContact O-N 3.23Å
233G77.3Confident86.5Confident37 Ų3750.9 Ų50.938%0.38131%0.309SS..THydrogen-bonded Turntrans102.60.2-177.100000115T222 C230T222-G233 PolarHBondContact OG1-O 3.34Å; C230-G233 PolarHBondContact O-N 3.06Å
234G83.8Confident87.1Confident9 Ų952.4 Ų52.49%0.09331%0.313CS..  trans-66.4150.3173.400000113.3C220 C230C220-G234 CarbonylContact O-C 3.58Å; C220-G234 WeakPolarHBondContact O-CA 3.44Å; C230-G234 VanDerWaalsContact CA-O 3.28Å; C230-G234 WeakPolarHBondContact CA-O 3.29Å
235V88.1Confident87.8Confident12 Ų1249.7 Ų49.77%0.07329%0.286CS..EExtended strand (participates in β ladder)trans-96.2138.4178.1173.20000109.4R219 C220 T222 N374 A378R219-V235 CarbonylContact C-O 3.52Å; R219-V235 WeakPolarHBondContact CA-O 3.23Å; C220-V235 PolarHBondContact N-O 2.82Å; C220-V235 PolarHBondContact O-N 3.19Å; T222-V235 HydrophobicContact CG2-CB 4.42Å; T222-V235 HydrophobicContact CG2-CG2 3.63Å; V235-N374 HydrophobicContact CG2-CB 4.04Å; V235-A378 HydrophobicContact CG1-CB 3.8Å
236G91.5Very high88.4Confident22 Ų2247.6 Ų47.623%0.22728%0.279CS..EExtended strand (participates in β ladder)trans-113134.2175.300000110.9L218 A290L218-G236 WeakPolarHBondContact O-CA 3.43Å; G236-A290 WeakPolarHBondContact O-CB 3.38Å
237M93.3Very high88.8Confident26 Ų2652.4 Ų52.413%0.12830%0.302CS..EExtended strand (participates in β ladder)trans-136.3144.217864-169.4-62.200110.8M217 L218 C239 I381 K382M217-M237 CarbonylContact C-O 3.55Å; M217-M237 VanDerWaalsContact CA-O 3.29Å; M217-M237 WeakPolarHBondContact CA-O 3.3Å; M217-M237 WeakPolarHBondContact CG-O 3.3Å; L218-M237 HydrophobicContact CB-CG 4.11Å; L218-M237 HydrophobicContact CD2-SD 4.31Å; L218-M237 PolarHBondContact N-O 3.37Å; L218-M237 PolarHBondContact O-N 3.28Å; M237-C239 PolarHBondContact O-N 2.92Å; M237-I381 HydrophobicContact CE-CG2 4.48Å; M237-I381 HydrophobicContact SD-CB 4.28Å; M237-I381 HydrophobicContact SD-CG2 3.67Å; M237-K382 HydrophobicContact CE-CB 3.63Å; M237-K382 HydrophobicContact CE-CG 4.05Å
238M95Very high89.4Confident125 Ų12551.3 Ų51.362%0.61630%0.297SS*.EExtended strand (participates in β ladder)trans-58.4135.3171.5-171.3177.469.200110.1A290 C291M238-A290 WeakPolarHBondContact CB-O 3.15Å; M238-C291 HydrophobicContact CG-CB 4.41Å; M238-C291 HydrophobicContact SD-CB 4.47Å
239C94.1Very high90.2Very high28 Ų2851 Ų5119%0.18929%0.294CS..  trans-132.5155176.165.50000110.3T216 L218 M237T216-C239 PolarHBondContact O-N 3.1Å; T216-C239 PolarHBondContact OG1-O 2.82Å; L218-C239 HydrophobicContact CB-CB 3.82Å; L218-C239 PolarHBondContact N-SG 3.28Å; M237-C239 PolarHBondContact O-N 2.92Å
240S94.1Very high91.2Very high122 Ų12251.3 Ų51.385%0.85330%0.298SS*.  trans-76.2146.4161.853.30000109.6
241L96.1Very high92.3Very high14 Ų1453.3 Ų53.37%0.07330%0.303CS..  trans-123.9142.9172.5-175.662.1000108.7V204 V206 T216 K246 L265 F273V204-L241 HydrophobicContact CG1-CD1 4.36Å; V206-L241 HydrophobicContact CG2-CD2 3.59Å; T216-L241 HydrophobicContact CG2-CB 3.74Å; T216-L241 HydrophobicContact CG2-CD2 3.68Å; T216-L241 HydrophobicContact CG2-CG 4.36Å; L241-K246 HydrophobicContact CB-CG 4.34Å; L241-K246 HydrophobicContact CD2-CG 4.22Å; L241-K246 HydrophobicContact CG-CG 4.35Å; L241-K246 WeakPolarHBondContact O-CE 3.45Å; L241-L265 HydrophobicContact CD2-CD1 4.07Å; L241-F273 HydrophobicContact CD1-CE1 3.84Å; L241-F273 HydrophobicContact CD1-CE2 3.74Å; L241-F273 HydrophobicContact CD1-CZ 3.33Å
242S97Very high93.6Very high51 Ų5150 Ų5036%0.35728%0.279SS..  trans-62.5155.117670.80000111.2Q244 G245 K246S242-Q244 PolarHBondContact O-N 3.48Å; S242-G245 PolarHBondContact O-N 2.77Å; S242-G245 PolarHBondContact OG-N 3.38Å; S242-K246 PolarHBondContact O-N 2.88Å
243E97.1Very high94.8Very high113 Ų11347.3 Ų47.353%0.52827%0.266SS..Hα-helixtrans-59.1-32.7176.3-67.7-54.1124.800112K246 Q247E243-K246 PolarHBondContact O-N 2.83Å; E243-K246 WeakPolarHBondContact OE1-CD 3.3Å; E243-K246 IonicContact OE1-NZ 3.71Å; E243-K246 PolarHBondContact OE1-NZ 3.02Å; E243-Q247 VanDerWaalsContact O-CB 3.3Å; E243-Q247 WeakPolarHBondContact O-CB 3.32Å; E243-Q247 WeakPolarHBondContact O-CG 2.94Å; E243-Q247 PolarHBondContact O-N 2.62Å
244Q96.8Very high95.8Very high115 Ų11550.3 Ų50.354%0.53727%0.273SS..Hα-helixtrans-60-47171.9-172.5-173.418.700111.8S242 Q247 L248S242-Q244 PolarHBondContact O-N 3.48Å; Q244-Q247 PolarHBondContact O-N 3.23Å; Q244-L248 WeakPolarHBondContact O-CB 3.43Å; Q244-L248 PolarHBondContact O-N 3.44Å
245G97.9Very high96.5Very high0 Ų051.3 Ų51.30%028%0.276CS..Hα-helixtrans-65.4-37.9177.600000113S242 A249S242-G245 PolarHBondContact O-N 2.77Å; S242-G245 PolarHBondContact OG-N 3.38Å; G245-A249 PolarHBondContact O-N 2.97Å
246K98.5Very high96.9Very high65 Ų6550.8 Ų50.828%0.28327%0.273SS..Hα-helixtrans-65.6-45.7174.2-66.3176.9-169.6161.90111.9V213 L241 S242 E243 L248 A249 V250V213-K246 HydrophobicContact CG2-CB 3.94Å; V213-K246 HydrophobicContact CG2-CG 4.19Å; L241-K246 HydrophobicContact CB-CG 4.34Å; L241-K246 HydrophobicContact CD2-CG 4.22Å; L241-K246 HydrophobicContact CG-CG 4.35Å; L241-K246 WeakPolarHBondContact O-CE 3.45Å; S242-K246 PolarHBondContact O-N 2.88Å; E243-K246 PolarHBondContact O-N 2.83Å; E243-K246 WeakPolarHBondContact OE1-CD 3.3Å; E243-K246 IonicContact OE1-NZ 3.71Å; E243-K246 PolarHBondContact OE1-NZ 3.02Å; K246-L248 VanDerWaalsContact C-N 3.34Å; K246-A249 PolarHBondContact O-N 3.24Å; K246-V250 WeakPolarHBondContact O-CG2 3.36Å; K246-V250 PolarHBondContact O-N 3.2Å
247Q98.4Very high97.1Very high129 Ų12950.6 Ų50.660%0.60327%0.271SS*.Hα-helixtrans-62-42.5177.1-74.2170.413.900111.1E243 Q244 V250 Q251E243-Q247 VanDerWaalsContact O-CB 3.3Å; E243-Q247 WeakPolarHBondContact O-CB 3.32Å; E243-Q247 WeakPolarHBondContact O-CG 2.94Å; E243-Q247 PolarHBondContact O-N 2.62Å; Q244-Q247 PolarHBondContact O-N 3.23Å; Q247-V250 PolarHBondContact O-N 3.31Å; Q247-Q251 WeakPolarHBondContact O-CB 3.27Å; Q247-Q251 PolarHBondContact O-N 3.45Å
248L98.6Very high97.3Very high14 Ų1449.6 Ų49.67%0.07327%0.266CS..Hα-helixtrans-58.4-47.4174177.960.8000111.8V127 P128 Q244 K246 V250 Q251 V252 L265 F273 V275V127-L248 HydrophobicContact CG1-CD1 4.07Å; P128-L248 HydrophobicContact CG-CD1 3.87Å; P128-L248 HydrophobicContact CG-CD2 3.98Å; Q244-L248 WeakPolarHBondContact O-CB 3.43Å; Q244-L248 PolarHBondContact O-N 3.44Å; K246-L248 VanDerWaalsContact C-N 3.34Å; L248-V250 VanDerWaalsContact C-N 3.34Å; L248-V250 PolarHBondContact O-N 3.22Å; L248-Q251 WeakPolarHBondContact O-CB 3.12Å; L248-Q251 PolarHBondContact O-N 2.67Å; L248-V252 HydrophobicContact CD1-CG2 4.31Å; L248-V252 VanDerWaalsContact O-CG2 3.24Å; L248-V252 WeakPolarHBondContact O-CG2 3.44Å; L248-V252 PolarHBondContact O-N 2.66Å; L248-L265 HydrophobicContact CD2-CD2 3.9Å; L248-L265 HydrophobicContact CG-CD2 4.34Å; L248-F273 HydrophobicContact CD2-CB 3.86Å; L248-V275 HydrophobicContact CD1-CG2 3.87Å; L248-V275 HydrophobicContact CD2-CG2 3.96Å; L248-V275 HydrophobicContact CG-CG2 3.94Å
249A98.7Very high97.5Very high0 Ų044.2 Ų44.20%024%0.239CC..Hα-helixtrans-62.2-38.8178.100000112.9V206 V208 G245 K246 S253 I263V206-A249 HydrophobicContact CB-CB 3.88Å; V206-A249 HydrophobicContact CG1-CB 3.61Å; V206-A249 HydrophobicContact CG2-CB 4.08Å; V208-A249 HydrophobicContact CG2-CB 4.12Å; G245-A249 PolarHBondContact O-N 2.97Å; K246-A249 PolarHBondContact O-N 3.24Å; A249-S253 PolarHBondContact O-N 3.04Å; A249-I263 HydrophobicContact CB-CB 4.28Å; A249-I263 HydrophobicContact CB-CG1 4.23Å
250V98.7Very high97.7Very high31 Ų3143.2 Ų43.219%0.18823%0.232CC..Hα-helixtrans-71.5-36175.1172.70000111.9V208 G211 V213 K246 Q247 L248 S253 N254V208-V250 HydrophobicContact CG1-CG2 4.36Å; G211-V250 WeakPolarHBondContact O-CG1 3.2Å; V213-V250 HydrophobicContact CG2-CG2 4.02Å; K246-V250 WeakPolarHBondContact O-CG2 3.36Å; K246-V250 PolarHBondContact O-N 3.2Å; Q247-V250 PolarHBondContact O-N 3.31Å; L248-V250 VanDerWaalsContact C-N 3.34Å; L248-V250 PolarHBondContact O-N 3.22Å; V250-S253 WeakPolarHBondContact CA-OG 3.47Å; V250-S253 PolarHBondContact O-N 3.42Å; V250-S253 PolarHBondContact O-OG 3.12Å; V250-N254 WeakPolarHBondContact O-CB 3.47Å; V250-N254 PolarHBondContact O-N 3.5Å; V250-N254 PolarHBondContact O-ND2 3.09Å; V250-N254 PolarHBondContact O-OD1 2.56Å
251Q98.6Very high97.8Very high80 Ų8037.4 Ų37.437%0.37419%0.192SC..Hα-helixtrans-61.6-47.1173.2-179.2-177.3-2.900110.5Q247 L248 N254 I255Q247-Q251 WeakPolarHBondContact O-CB 3.27Å; Q247-Q251 PolarHBondContact O-N 3.45Å; L248-Q251 WeakPolarHBondContact O-CB 3.12Å; L248-Q251 PolarHBondContact O-N 2.67Å; Q251-N254 PolarHBondContact O-N 2.77Å; Q251-I255 HydrophobicContact CG-CD1 3.74Å; Q251-I255 HydrophobicContact CG-CG1 4.48Å; Q251-I255 WeakPolarHBondContact O-CD1 3.41Å; Q251-I255 VanDerWaalsContact O-CG1 3.31Å; Q251-I255 WeakPolarHBondContact O-CG1 3.45Å; Q251-I255 PolarHBondContact O-N 2.84Å
252V98.6Very high97.9Very high0 Ų036.7 Ų36.70%019%0.188CC..Hα-helixtrans-60.2-45.1176.3172.70000111.5L122 V127 L248 N254 L256 I263 V275 A278L122-V252 HydrophobicContact CD1-CG1 4.19Å; L122-V252 HydrophobicContact CD2-CB 4.27Å; L122-V252 HydrophobicContact CD2-CG1 4Å; L122-V252 HydrophobicContact CD2-CG2 4.1Å; V127-V252 HydrophobicContact CG1-CG2 4.09Å; L248-V252 HydrophobicContact CD1-CG2 4.31Å; L248-V252 VanDerWaalsContact O-CG2 3.24Å; L248-V252 WeakPolarHBondContact O-CG2 3.44Å; L248-V252 PolarHBondContact O-N 2.66Å; V252-N254 VanDerWaalsContact C-N 3.3Å; V252-N254 PolarHBondContact O-N 2.88Å; V252-L256 HydrophobicContact CG1-CD1 3.79Å; V252-L256 WeakPolarHBondContact O-CB 3.18Å; V252-L256 WeakPolarHBondContact O-CG 3.49Å; V252-L256 PolarHBondContact O-N 2.91Å; V252-L256 VanDerWaalsContact O-N 3.15Å; V252-I263 HydrophobicContact CB-CD1 4.29Å; V252-I263 HydrophobicContact CB-CG1 4.42Å; V252-I263 HydrophobicContact CB-CG2 4.43Å; V252-I263 HydrophobicContact CG1-CD1 3.54Å; V252-I263 HydrophobicContact CG1-CG1 4.13Å; V252-I263 HydrophobicContact CG1-CG2 4.16Å; V252-V275 HydrophobicContact CG1-CG1 4.43Å; V252-V275 HydrophobicContact CG2-CG1 4.18Å; V252-V275 HydrophobicContact CG2-CG2 3.65Å; V252-A278 HydrophobicContact CG1-CB 4.21Å
253S98.5Very high98Very high0 Ų034.3 Ų34.30%017%0.171CC..Hα-helixtrans-62.3-39.3176.867.40000112.1A249 V250 G257 M258 C261A249-S253 PolarHBondContact O-N 3.04Å; V250-S253 WeakPolarHBondContact CA-OG 3.47Å; V250-S253 PolarHBondContact O-N 3.42Å; V250-S253 PolarHBondContact O-OG 3.12Å; S253-G257 WeakPolarHBondContact O-CA 3.47Å; S253-G257 PolarHBondContact O-N 3.39Å; S253-M258 PolarHBondContact O-N 3.23Å; S253-C261 VanDerWaalsContact CB-SG 3.53Å
254N98.1Very high98Very high100 Ų10029 Ų2954%0.53515%0.147SC..Hα-helixtrans-70.5-44.9-179.2-67.8-14.1000112.4V250 Q251 V252 L256 G257V250-N254 WeakPolarHBondContact O-CB 3.47Å; V250-N254 PolarHBondContact O-N 3.5Å; V250-N254 PolarHBondContact O-ND2 3.09Å; V250-N254 PolarHBondContact O-OD1 2.56Å; Q251-N254 PolarHBondContact O-N 2.77Å; V252-N254 VanDerWaalsContact C-N 3.3Å; V252-N254 PolarHBondContact O-N 2.88Å; N254-L256 PolarHBondContact O-N 2.96Å; N254-G257 PolarHBondContact O-N 3.11Å; N254-G257 VanDerWaalsContact O-N 3.12Å
255I98.2Very high98.1Very high31 Ų3123.5 Ų23.516%0.15912%0.121CC..Hα-helixtrans-58.7-49.5177.2-69.1159.9000110.4L122 H125 V127 Q251 G257L122-I255 HydrophobicContact CD2-CB 4.17Å; L122-I255 HydrophobicContact CD2-CD1 4.08Å; L122-I255 HydrophobicContact CD2-CG2 4Å; H125-I255 HydrophobicContact CB-CD1 3.49Å; H125-I255 VanDerWaalsContact CB-CD1 3.49Å; H125-I255 HydrophobicContact CB-CG1 4.1Å; H125-I255 WeakPolarHBondContact ND1-CG2 3.36Å; V127-I255 HydrophobicContact CG2-CD1 3.51Å; Q251-I255 HydrophobicContact CG-CD1 3.74Å; Q251-I255 HydrophobicContact CG-CG1 4.48Å; Q251-I255 WeakPolarHBondContact O-CD1 3.41Å; Q251-I255 VanDerWaalsContact O-CG1 3.31Å; Q251-I255 WeakPolarHBondContact O-CG1 3.45Å; Q251-I255 PolarHBondContact O-N 2.84Å; I255-G257 PolarHBondContact O-N 2.87Å
256L97.3Very high98.1Very high0 Ų024.6 Ų24.60%013%0.127CC..Hα-helixtrans-76.3-7.5-179.5-59.3171.3000112.4A108 N111 T118 E121 L122 V252 N254 M258 A278A108-L256 WeakPolarHBondContact CA-O 3.14Å; A108-L256 WeakPolarHBondContact CB-O 3.45Å; N111-L256 HydrophobicContact CB-CD2 4.03Å; T118-L256 HydrophobicContact CG2-CD1 3.8Å; T118-L256 HydrophobicContact CG2-CD2 4.21Å; E121-L256 HydrophobicContact CB-CD2 3.82Å; E121-L256 HydrophobicContact CG-CD2 4.38Å; L122-L256 HydrophobicContact CD1-CD1 4.42Å; L122-L256 HydrophobicContact CD2-CD1 4.19Å; L122-L256 HydrophobicContact CD2-CD2 4.31Å; L122-L256 HydrophobicContact CD2-CG 4.05Å; L122-L256 HydrophobicContact CG-CD1 4.46Å; L122-L256 HydrophobicContact CG-CD2 4.35Å; V252-L256 HydrophobicContact CG1-CD1 3.79Å; V252-L256 WeakPolarHBondContact O-CB 3.18Å; V252-L256 WeakPolarHBondContact O-CG 3.49Å; V252-L256 PolarHBondContact O-N 2.91Å; V252-L256 VanDerWaalsContact O-N 3.15Å; N254-L256 PolarHBondContact O-N 2.96Å; L256-M258 HydrophobicContact CB-CE 3.95Å; L256-M258 HydrophobicContact CB-CG 4.18Å; L256-M258 HydrophobicContact CB-SD 4.5Å; L256-M258 HydrophobicContact CD1-CE 3.72Å; L256-M258 HydrophobicContact CG-CE 4.46Å; L256-A278 HydrophobicContact CD1-CB 3.51Å
257G96.4Very high98Very high18 Ų1823.1 Ų23.119%0.18612%0.121CC..THydrogen-bonded Turntrans64.238.2179.700000114A108 S253 N254 I255A108-G257 WeakPolarHBondContact CB-O 3.36Å; S253-G257 WeakPolarHBondContact O-CA 3.47Å; S253-G257 PolarHBondContact O-N 3.39Å; N254-G257 PolarHBondContact O-N 3.11Å; N254-G257 VanDerWaalsContact O-N 3.12Å; I255-G257 PolarHBondContact O-N 2.87Å
258M97.6Very high97.9Very high6 Ų619.1 Ų19.13%0.0310%0.102CC..  trans-95.3130.6178.8-63.3-176.9-6600111.9N104 A108 C112 S253 L256 C261 I263 A278 A280N104-M258 WeakPolarHBondContact OD1-CA 2.77Å; A108-M258 HydrophobicContact CB-CG 4.02Å; C112-M258 PolarHBondContact SG-SD 2.9Å; S253-M258 PolarHBondContact O-N 3.23Å; L256-M258 HydrophobicContact CB-CE 3.95Å; L256-M258 HydrophobicContact CB-CG 4.18Å; L256-M258 HydrophobicContact CB-SD 4.5Å; L256-M258 HydrophobicContact CD1-CE 3.72Å; L256-M258 HydrophobicContact CG-CE 4.46Å; M258-C261 HydrophobicContact CB-CB 3.83Å; M258-C261 HydrophobicContact CE-CB 3.47Å; M258-C261 VanDerWaalsContact CE-CB 3.47Å; M258-C261 HydrophobicContact CG-CB 4.24Å; M258-C261 HydrophobicContact SD-CB 3.39Å; M258-C261 WeakPolarHBondContact SD-CB 3.19Å; M258-I263 HydrophobicContact CE-CD1 3.75Å; M258-A278 HydrophobicContact CE-CB 4.07Å; M258-A280 HydrophobicContact SD-CB 3.93Å
259D98Very high97.6Very high11 Ų1124.6 Ų24.66%0.05913%0.131CC..SBendtrans-82.8-38.9172-63.5-63000113R101 M103 N104 V209 G210 Y302R101-D259 IonicContact CZ-OD1 3.5Å; R101-D259 IonicContact CZ-OD2 3.54Å; R101-D259 IonicContact NH1-OD1 2.69Å; R101-D259 PolarHBondContact NH1-OD1 3.19Å; R101-D259 IonicContact NH1-OD2 3.61Å; R101-D259 PolarHBondContact NH1-OD2 3.32Å; R101-D259 IonicContact NH2-OD1 2.68Å; R101-D259 PolarHBondContact NH2-OD1 3.13Å; R101-D259 IonicContact NH2-OD2 3.48Å; R101-D259 PolarHBondContact NH2-OD2 3.27Å; M103-D259 HydrophobicContact CB-CB 4.19Å; M103-D259 HydrophobicContact CG-CB 4.02Å; N104-D259 WeakPolarHBondContact OD1-CA 3.47Å; N104-D259 WeakPolarHBondContact OD1-CB 3.43Å; N104-D259 PolarHBondContact OD1-N 3.2Å; V209-D259 CarbonylContact C-O 3.54Å; V209-D259 VanDerWaalsContact CA-O 3.24Å; V209-D259 WeakPolarHBondContact CA-O 3.46Å; G210-D259 PolarHBondContact N-O 3.36Å; D259-Y302 HydrophobicContact CB-CE1 3.98Å; D259-Y302 PolarHBondContact OD1-OH 3.37Å
260V98Very high97.4Very high7 Ų729.3 Ų29.34%0.04216%0.156CC..EExtended strand (participates in β ladder)trans-133.7112.2-177.8179.50000107.7M103 N104 V208 V209 V282 I299M103-V260 HydrophobicContact CE-CG2 3.97Å; N104-V260 PolarHBondContact ND2-O 2.95Å; N104-V260 PolarHBondContact OD1-N 3.03Å; N104-V260 VanDerWaalsContact OD1-N 3.08Å; V208-V260 WeakPolarHBondContact O-CA 3.33Å; V209-V260 HydrophobicContact CG1-CG2 4.34Å; V260-V282 HydrophobicContact CG1-CG1 4.38Å; V260-I299 HydrophobicContact CG1-CD1 3.68Å; V260-I299 HydrophobicContact CG1-CG1 3.94Å; V260-I299 HydrophobicContact CG2-CG1 4.04Å; V260-I299 HydrophobicContact CG2-CG2 4.32Å
261C97.7Very high97Very high0 Ų030.1 Ų30.10%017%0.171CC..EExtended strand (participates in β ladder)trans-152.5161.2-176.661.80000114.4I207 V208 S253 M258 I263 N279I207-C261 WeakPolarHBondContact CA-O 3.38Å; V208-C261 PolarHBondContact N-O 3.43Å; V208-C261 PolarHBondContact O-N 3.22Å; S253-C261 VanDerWaalsContact CB-SG 3.53Å; M258-C261 HydrophobicContact CB-CB 3.83Å; M258-C261 HydrophobicContact CE-CB 3.47Å; M258-C261 VanDerWaalsContact CE-CB 3.47Å; M258-C261 HydrophobicContact CG-CB 4.24Å; M258-C261 HydrophobicContact SD-CB 3.39Å; M258-C261 WeakPolarHBondContact SD-CB 3.19Å; C261-I263 HydrophobicContact CB-CD1 4.38Å; C261-N279 VanDerWaalsContact CA-O 3.27Å; C261-N279 WeakPolarHBondContact CA-O 3.39Å; C261-N279 WeakPolarHBondContact CB-O 3.33Å
262G97.6Very high96.9Very high0 Ų027 Ų270%016%0.158CC..EExtended strand (participates in β ladder)trans-115.8118.7170.100000110.8V206 N279V206-G262 CarbonylContact O-C 3.59Å; V206-G262 VanDerWaalsContact O-CA 3.3Å; V206-G262 WeakPolarHBondContact O-CA 3.46Å; G262-N279 PolarHBondContact N-O 3.39Å; G262-N279 VanDerWaalsContact O-CB 3.3Å; G262-N279 WeakPolarHBondContact O-CB 3.31Å; G262-N279 PolarHBondContact O-N 3.19Å; G262-N279 PolarHBondContact O-ND2 3.36Å
263I98.3Very high96.9Very high0 Ų028 Ų280%016%0.162CC..EExtended strand (participates in β ladder)trans-101.7126.3176.6-48.5-49.1000108.2V206 A249 V252 M258 C261 L265 V275 A278V206-I263 HydrophobicContact CB-CB 4.49Å; V206-I263 PolarHBondContact N-O 3.22Å; V206-I263 PolarHBondContact O-N 2.7Å; A249-I263 HydrophobicContact CB-CB 4.28Å; A249-I263 HydrophobicContact CB-CG1 4.23Å; V252-I263 HydrophobicContact CB-CD1 4.29Å; V252-I263 HydrophobicContact CB-CG1 4.42Å; V252-I263 HydrophobicContact CB-CG2 4.43Å; V252-I263 HydrophobicContact CG1-CD1 3.54Å; V252-I263 HydrophobicContact CG1-CG1 4.13Å; V252-I263 HydrophobicContact CG1-CG2 4.16Å; M258-I263 HydrophobicContact CE-CD1 3.75Å; C261-I263 HydrophobicContact CB-CD1 4.38Å; I263-L265 HydrophobicContact CG2-CD2 3.89Å; I263-L265 HydrophobicContact CG2-CG 4.49Å; I263-V275 HydrophobicContact CG2-CG1 4Å; I263-A278 HydrophobicContact CD1-CB 3.93Å
264D97.6Very high96.9Very high2 Ų230.7 Ų30.71%0.01117%0.173CC..EExtended strand (participates in β ladder)trans-96127.6172.7-75.9-10.5000109.6R205 R219 C276 E277R205-D264 WeakPolarHBondContact CD-OD1 3.41Å; R205-D264 IonicContact CZ-OD1 2.7Å; R205-D264 IonicContact CZ-OD2 3.32Å; R205-D264 IonicContact NE-OD1 2.69Å; R205-D264 PolarHBondContact NE-OD1 3.49Å; R205-D264 IonicContact NE-OD2 3.04Å; R205-D264 IonicContact NH2-OD1 3.52Å; R205-D264 PolarHBondContact NH2-OD1 2.96Å; R205-D264 IonicContact NH2-OD2 2.67Å; R205-D264 PolarHBondContact NH2-OD2 3.15Å; R219-D264 IonicContact CZ-OD1 3.5Å; R219-D264 IonicContact CZ-OD2 3.4Å; R219-D264 IonicContact NH1-OD1 3.37Å; R219-D264 IonicContact NH1-OD2 3.41Å; R219-D264 IonicContact NH2-OD1 2.77Å; R219-D264 PolarHBondContact NH2-OD1 3.41Å; R219-D264 IonicContact NH2-OD2 2.62Å; R219-D264 PolarHBondContact NH2-OD2 3.08Å; D264-C276 HydrophobicContact CB-CB 3.96Å; D264-C276 WeakPolarHBondContact O-CB 3.33Å; D264-C276 PolarHBondContact O-N 3.48Å; D264-E277 HydrophobicContact CB-CB 4.28Å; D264-E277 PolarHBondContact N-O 3.34Å
265L98.4Very high96.9Very high0 Ų025.9 Ų25.90%015%0.147CC..EExtended strand (participates in β ladder)trans-114.9132.3-180-58.6-179.2000111V204 V206 L241 L248 I263 F273 Y274 V275V204-L265 HydrophobicContact CB-CB 4.44Å; V204-L265 PolarHBondContact N-O 3Å; V204-L265 PolarHBondContact O-N 3.32Å; V206-L265 HydrophobicContact CG2-CD1 3.76Å; V206-L265 HydrophobicContact CG2-CG 4.16Å; L241-L265 HydrophobicContact CD2-CD1 4.07Å; L248-L265 HydrophobicContact CD2-CD2 3.9Å; L248-L265 HydrophobicContact CG-CD2 4.34Å; I263-L265 HydrophobicContact CG2-CD2 3.89Å; I263-L265 HydrophobicContact CG2-CG 4.49Å; L265-F273 HydrophobicContact CB-CB 4.27Å; L265-F273 HydrophobicContact CB-CD1 3.85Å; L265-F273 HydrophobicContact CB-CG 4.32Å; L265-F273 HydrophobicContact CD1-CB 4.37Å; L265-F273 HydrophobicContact CD1-CD1 4.25Å; L265-F273 HydrophobicContact CD1-CG 4.18Å; L265-Y274 CarbonylContact C-O 3.46Å; L265-Y274 WeakPolarHBondContact CA-O 3.45Å; L265-V275 HydrophobicContact CD2-CB 4.49Å; L265-V275 HydrophobicContact CD2-CG2 3.98Å
266L97.9Very high96.8Very high23 Ų2325.4 Ų25.412%0.1215%0.146CC..EExtended strand (participates in β ladder)trans-92138.4167.7-55.8179.9000109.5P130 V196 S199 D203 F273 Y274 C276P130-L266 HydrophobicContact CG-CD1 4.21Å; V196-L266 HydrophobicContact CB-CB 4.38Å; V196-L266 HydrophobicContact CB-CD1 4Å; V196-L266 HydrophobicContact CG1-CB 4.27Å; V196-L266 HydrophobicContact CG2-CB 4.46Å; V196-L266 HydrophobicContact CG2-CD1 3.7Å; S199-L266 WeakPolarHBondContact OG-CA 3.46Å; D203-L266 HydrophobicContact CB-CD2 4.13Å; L266-F273 VanDerWaalsContact O-CA 3.26Å; L266-F273 WeakPolarHBondContact O-CA 3.3Å; L266-Y274 PolarHBondContact N-O 2.82Å; L266-Y274 PolarHBondContact O-N 2.89Å; L266-C276 HydrophobicContact CD1-CB 4.35Å; L266-C276 HydrophobicContact CD2-CB 4.11Å; L266-C276 HydrophobicContact CG-CB 3.86Å
267M96.9Very high96.7Very high33 Ų3327 Ų2716%0.16315%0.153CC..EExtended strand (participates in β ladder)trans-80.8140.9177.2-71150.7-79.900111.2V196 S199 K202 V204 L218 F273V196-M267 VanDerWaalsContact CG1-O 3.23Å; V196-M267 WeakPolarHBondContact CG1-O 3.18Å; S199-M267 WeakPolarHBondContact OG-CE 3.47Å; S199-M267 PolarHBondContact OG-N 3.04Å; K202-M267 HydrophobicContact CB-CE 4.01Å; K202-M267 HydrophobicContact CD-CE 3.71Å; K202-M267 HydrophobicContact CD-SD 4.18Å; K202-M267 HydrophobicContact CG-CE 3.61Å; V204-M267 HydrophobicContact CG2-CE 4.47Å; L218-M267 HydrophobicContact CD1-CE 4.08Å; L218-M267 HydrophobicContact CD1-SD 4.46Å; M267-F273 HydrophobicContact CG-CD1 4.23Å; M267-F273 HydrophobicContact CG-CE1 3.73Å
268K95.9Very high96.6Very high45 Ų4526.3 Ų26.320%0.19615%0.147CC..PPolyproline II helixtrans-100.6169.5168.5-67.3172.764.4-134.30111.2D270 G271 S272 Y274K268-D270 VanDerWaalsContact CB-OD1 3.3Å; K268-D270 WeakPolarHBondContact CB-OD1 3.42Å; K268-D270 VanDerWaalsContact NZ-CG 3.29Å; K268-D270 IonicContact NZ-OD1 2.8Å; K268-D270 PolarHBondContact NZ-OD1 3.44Å; K268-D270 IonicContact NZ-OD2 3.91Å; K268-D270 PolarHBondContact NZ-OD2 3.46Å; K268-G271 PolarHBondContact O-N 2.69Å; K268-S272 WeakPolarHBondContact CB-O 2.79Å; K268-S272 WeakPolarHBondContact CD-OG 3.44Å; K268-S272 PolarHBondContact N-O 3.39Å; K268-S272 PolarHBondContact NZ-OG 3.46Å; K268-Y274 HydrophobicContact CD-CD1 4.37Å; K268-Y274 HydrophobicContact CD-CD2 3.79Å; K268-Y274 HydrophobicContact CD-CE1 4.13Å; K268-Y274 HydrophobicContact CD-CE2 3.53Å; K268-Y274 HydrophobicContact CD-CG 4.21Å; K268-Y274 HydrophobicContact CG-CD2 3.59Å; K268-Y274 HydrophobicContact CG-CE2 3.49Å; K268-Y274 VanDerWaalsContact CG-CE2 3.49Å; K268-Y274 HydrophobicContact CG-CG 4.38Å
269D93.5Very high96.5Very high129 Ų12927.6 Ų27.669%0.6915%0.153SC*.THydrogen-bonded Turntrans-65.6-37.7175.456.4-17.3000112.6E198 G271E198-D269 HydrophobicContact CG-CB 3.91Å; D269-G271 PolarHBondContact O-N 2.87Å
270D93.3Very high96.3Very high100 Ų10027.1 Ų27.154%0.53515%0.151SC..THydrogen-bonded Turntrans-74.23.9175.868.97.2000114.9K268 S272K268-D270 VanDerWaalsContact CB-OD1 3.3Å; K268-D270 WeakPolarHBondContact CB-OD1 3.42Å; K268-D270 VanDerWaalsContact NZ-CG 3.29Å; K268-D270 IonicContact NZ-OD1 2.8Å; K268-D270 PolarHBondContact NZ-OD1 3.44Å; K268-D270 IonicContact NZ-OD2 3.91Å; K268-D270 PolarHBondContact NZ-OD2 3.46Å; D270-S272 VanDerWaalsContact CG-OG 3.29Å; D270-S272 PolarHBondContact O-N 2.66Å; D270-S272 VanDerWaalsContact OD1-CB 3.3Å; D270-S272 WeakPolarHBondContact OD1-CB 3.41Å; D270-S272 PolarHBondContact OD1-N 3.33Å; D270-S272 PolarHBondContact OD1-OG 2.89Å; D270-S272 PolarHBondContact OD2-OG 2.84Å
271G90.9Very high96Very high47 Ų4728 Ų2849%0.48516%0.155SC..SBendtrans76.52.2-178.800000115.2K268 D269K268-G271 PolarHBondContact O-N 2.69Å; D269-G271 PolarHBondContact O-N 2.87Å
272S96.6Very high95.7Very high15 Ų1528 Ų2811%0.10516%0.155CC..  trans-88-173.6168.774.40000111.5K268 D270K268-S272 WeakPolarHBondContact CB-O 2.79Å; K268-S272 WeakPolarHBondContact CD-OG 3.44Å; K268-S272 PolarHBondContact N-O 3.39Å; K268-S272 PolarHBondContact NZ-OG 3.46Å; D270-S272 VanDerWaalsContact CG-OG 3.29Å; D270-S272 PolarHBondContact O-N 2.66Å; D270-S272 VanDerWaalsContact OD1-CB 3.3Å; D270-S272 WeakPolarHBondContact OD1-CB 3.41Å; D270-S272 PolarHBondContact OD1-N 3.33Å; D270-S272 PolarHBondContact OD1-OG 2.89Å; D270-S272 PolarHBondContact OD2-OG 2.84Å
273F98.3Very high95.4Very high21 Ų2130.4 Ų30.49%0.09218%0.181CC..EExtended strand (participates in β ladder)trans-134.7147.9-167.4-61.1-86.3000113.1P128 L241 L248 L265 L266 M267P128-F273 WeakPolarHBondContact CB-O 3.16Å; P128-F273 VanDerWaalsContact CG-O 3.3Å; P128-F273 WeakPolarHBondContact CG-O 3.36Å; L241-F273 HydrophobicContact CD1-CE1 3.84Å; L241-F273 HydrophobicContact CD1-CE2 3.74Å; L241-F273 HydrophobicContact CD1-CZ 3.33Å; L248-F273 HydrophobicContact CD2-CB 3.86Å; L265-F273 HydrophobicContact CB-CB 4.27Å; L265-F273 HydrophobicContact CB-CD1 3.85Å; L265-F273 HydrophobicContact CB-CG 4.32Å; L265-F273 HydrophobicContact CD1-CB 4.37Å; L265-F273 HydrophobicContact CD1-CD1 4.25Å; L265-F273 HydrophobicContact CD1-CG 4.18Å; L266-F273 VanDerWaalsContact O-CA 3.26Å; L266-F273 WeakPolarHBondContact O-CA 3.3Å; M267-F273 HydrophobicContact CG-CD1 4.23Å; M267-F273 HydrophobicContact CG-CE1 3.73Å
274Y98.4Very high95.2Very high56 Ų5630.4 Ų30.422%0.2218%0.181CC..EExtended strand (participates in β ladder)trans-102.2146.4159.6-67.9-63.3000110.4P128 L129 P130 V196 L265 L266 K268P128-Y274 HydrophobicContact CB-CD1 4.04Å; P128-Y274 WeakPolarHBondContact O-CA 3.3Å; L129-Y274 WeakPolarHBondContact O-CD1 3.47Å; L129-Y274 WeakPolarHBondContact O-CE1 3.22Å; P130-Y274 HydrophobicContact CG-CD2 4.4Å; P130-Y274 HydrophobicContact CG-CG 4.06Å; V196-Y274 HydrophobicContact CG1-CD2 4.23Å; V196-Y274 HydrophobicContact CG2-CD2 3.77Å; V196-Y274 HydrophobicContact CG2-CE2 4.17Å; L265-Y274 CarbonylContact C-O 3.46Å; L265-Y274 WeakPolarHBondContact CA-O 3.45Å; L266-Y274 PolarHBondContact N-O 2.82Å; L266-Y274 PolarHBondContact O-N 2.89Å; K268-Y274 HydrophobicContact CD-CD1 4.37Å; K268-Y274 HydrophobicContact CD-CD2 3.79Å; K268-Y274 HydrophobicContact CD-CE1 4.13Å; K268-Y274 HydrophobicContact CD-CE2 3.53Å; K268-Y274 HydrophobicContact CD-CG 4.21Å; K268-Y274 HydrophobicContact CG-CD2 3.59Å; K268-Y274 HydrophobicContact CG-CE2 3.49Å; K268-Y274 VanDerWaalsContact CG-CE2 3.49Å; K268-Y274 HydrophobicContact CG-CG 4.38Å
275V98.3Very high94.7Very high0 Ų033.8 Ų33.80%020%0.198CC..EExtended strand (participates in β ladder)trans-82124.6171.1-175.60000109.5F119 L122 V127 P128 L129 L248 V252 I263 L265F119-V275 WeakPolarHBondContact CZ-O 3.23Å; L122-V275 HydrophobicContact CD1-CG1 4.17Å; V127-V275 HydrophobicContact CG1-CB 4.3Å; V127-V275 HydrophobicContact CG1-CG2 3.62Å; P128-V275 PolarHBondContact O-N 3.13Å; L129-V275 HydrophobicContact CD2-CB 3.96Å; L248-V275 HydrophobicContact CD1-CG2 3.87Å; L248-V275 HydrophobicContact CD2-CG2 3.96Å; L248-V275 HydrophobicContact CG-CG2 3.94Å; V252-V275 HydrophobicContact CG1-CG1 4.43Å; V252-V275 HydrophobicContact CG2-CG1 4.18Å; V252-V275 HydrophobicContact CG2-CG2 3.65Å; I263-V275 HydrophobicContact CG2-CG1 4Å; L265-V275 HydrophobicContact CD2-CB 4.49Å; L265-V275 HydrophobicContact CD2-CG2 3.98Å
276C95.6Very high94.2Very high20 Ų2036 Ų3614%0.13522%0.216CC..EExtended strand (participates in β ladder)trans-93.9-47.3-177.1-164.40000112.7K158 D264 L266K158-C276 PolarHBondContact NZ-SG 3.3Å; K158-C276 VanDerWaalsContact NZ-SG 3.44Å; D264-C276 HydrophobicContact CB-CB 3.96Å; D264-C276 WeakPolarHBondContact O-CB 3.33Å; D264-C276 PolarHBondContact O-N 3.48Å; L266-C276 HydrophobicContact CD1-CB 4.35Å; L266-C276 HydrophobicContact CD2-CB 4.11Å; L266-C276 HydrophobicContact CG-CB 3.86Å
277E94.5Very high94Very high33 Ų3335 Ų3515%0.15421%0.211CC..EExtended strand (participates in β ladder)trans-159.7142.5-173.1-173.9171.1-155.200110.1K115 D264K115-E277 WeakPolarHBondContact CE-OE1 3.49Å; K115-E277 IonicContact NZ-OE1 3.22Å; K115-E277 PolarHBondContact NZ-OE1 3.03Å; D264-E277 HydrophobicContact CB-CB 4.28Å; D264-E277 PolarHBondContact N-O 3.34Å
278A95.9Very high93.8Very high5 Ų534 Ų344%0.04121%0.206CC..EExtended strand (participates in β ladder)trans-115.8133.7172.300000109.8T118 V252 L256 M258 I263T118-A278 HydrophobicContact CG2-CB 3.79Å; V252-A278 HydrophobicContact CG1-CB 4.21Å; L256-A278 HydrophobicContact CD1-CB 3.51Å; M258-A278 HydrophobicContact CE-CB 4.07Å; I263-A278 HydrophobicContact CD1-CB 3.93Å
279N94.8Very high93.5Very high33 Ų3338.8 Ų38.818%0.17623%0.227CC..EExtended strand (participates in β ladder)trans-123.598.9-171.1-63.9-105.7000111.4R205 C261 G262 N281 V282R205-N279 PolarHBondContact NH1-ND2 3.39Å; R205-N279 PolarHBondContact NH2-ND2 3.23Å; C261-N279 VanDerWaalsContact CA-O 3.27Å; C261-N279 WeakPolarHBondContact CA-O 3.39Å; C261-N279 WeakPolarHBondContact CB-O 3.33Å; G262-N279 PolarHBondContact N-O 3.39Å; G262-N279 VanDerWaalsContact O-CB 3.3Å; G262-N279 WeakPolarHBondContact O-CB 3.31Å; G262-N279 PolarHBondContact O-N 3.19Å; G262-N279 PolarHBondContact O-ND2 3.36Å; N279-N281 VanDerWaalsContact C-N 3.3Å; N279-N281 PolarHBondContact O-N 2.99Å; N279-V282 HydrophobicContact CB-CB 4.33Å; N279-V282 PolarHBondContact O-N 3.12Å
280A93.9Very high93.4Very high1 Ų134.1 Ų34.11%0.00821%0.206CC..THydrogen-bonded Turntrans-64.4-25.8176.100000114.4N104 I109 C112 M258N104-A280 PolarHBondContact ND2-O 3.14Å; I109-A280 HydrophobicContact CG1-CB 4.36Å; C112-A280 HydrophobicContact CB-CB 3.85Å; M258-A280 HydrophobicContact SD-CB 3.93Å
281N90.8Very high93.4Very high24 Ų2429.9 Ų29.913%0.12818%0.184CC..THydrogen-bonded Turntrans-118.360.3171.9-66.5-86.2000109.8R77 V78 T80 N279 G283R77-N281 WeakPolarHBondContact CA-OD1 3.4Å; V78-N281 PolarHBondContact N-OD1 2.94Å; V78-N281 WeakPolarHBondContact O-CB 3.28Å; V78-N281 PolarHBondContact O-ND2 3.34Å; V78-N281 VanDerWaalsContact O-ND2 3.13Å; V78-N281 PolarHBondContact O-OD1 3.29Å; T80-N281 WeakPolarHBondContact OG1-CB 3.05Å; T80-N281 PolarHBondContact OG1-ND2 3.24Å; N279-N281 VanDerWaalsContact C-N 3.3Å; N279-N281 PolarHBondContact O-N 2.99Å; N281-G283 PolarHBondContact O-N 3.01Å
282V92.8Very high93.5Very high1 Ų135 Ų351%0.00620%0.2CC..  trans-54.7134.2177.657.30000111.5R77 I207 V260 N279R77-V282 PolarHBondContact NH1-O 3Å; R77-V282 PolarHBondContact NH2-O 3.34Å; I207-V282 HydrophobicContact CD1-CG2 3.96Å; I207-V282 HydrophobicContact CG1-CG2 4.22Å; V260-V282 HydrophobicContact CG1-CG1 4.38Å; N279-V282 HydrophobicContact CB-CB 4.33Å; N279-V282 PolarHBondContact O-N 3.12Å
283G91.3Very high93.4Very high51 Ų5137 Ų3753%0.52621%0.209SC..  trans-96135.5166.200000110N281N281-G283 PolarHBondContact O-N 3.01Å
284F93.1Very high93.3Very high0 Ų039.7 Ų39.70%023%0.225CC..  trans-125.511-169.444.9-100.9000114.5P22 I26 I207 A286 F287 D288 V295 A296 I299P22-F284 HydrophobicContact CB-CD1 4.33Å; P22-F284 HydrophobicContact CB-CD2 4.44Å; P22-F284 HydrophobicContact CB-CE1 3.79Å; P22-F284 HydrophobicContact CB-CE2 3.92Å; P22-F284 HydrophobicContact CB-CZ 3.55Å; I26-F284 HydrophobicContact CD1-CE1 3.92Å; I26-F284 HydrophobicContact CD1-CZ 3.76Å; I26-F284 HydrophobicContact CG1-CE1 4.47Å; I26-F284 HydrophobicContact CG1-CZ 3.86Å; I207-F284 HydrophobicContact CD1-CB 3.65Å; F284-A286 VanDerWaalsContact C-N 3.34Å; F284-A286 PolarHBondContact O-N 2.88Å; F284-F287 HydrophobicContact CB-CB 4.13Å; F284-F287 CarbonylContact O-C 3.57Å; F284-F287 WeakPolarHBondContact O-CA 3.29Å; F284-F287 WeakPolarHBondContact O-CB 3.15Å; F284-F287 PolarHBondContact O-N 3.22Å; F284-D288 VanDerWaalsContact CD2-OD2 3.25Å; F284-D288 WeakPolarHBondContact CD2-OD2 3.29Å; F284-D288 PolarHBondContact O-N 2.76Å; F284-V295 HydrophobicContact CB-CG1 4.42Å; F284-V295 HydrophobicContact CD1-CG1 3.9Å; F284-V295 HydrophobicContact CD2-CB 4.08Å; F284-V295 HydrophobicContact CD2-CG1 4.24Å; F284-V295 HydrophobicContact CE1-CG1 4.2Å; F284-V295 HydrophobicContact CE2-CB 4.45Å; F284-V295 HydrophobicContact CG-CB 4.16Å; F284-V295 HydrophobicContact CG-CG1 3.92Å; F284-V295 HydrophobicContact CZ-CG1 4.5Å; F284-A296 HydrophobicContact CE2-CB 4.47Å; F284-I299 HydrophobicContact CE1-CD1 3.95Å; F284-I299 HydrophobicContact CZ-CD1 4.28Å
285I87.4Confident93.3Very high72 Ų7237 Ų3737%0.36921%0.214SC..Hα-helixtrans-50.4-48.8179.7-34.4-178.8000113.4Y21 P22 F287 K289Y21-I285 HydrophobicContact CD1-CB 3.99Å; Y21-I285 HydrophobicContact CD1-CD1 4.28Å; Y21-I285 HydrophobicContact CD1-CG1 3.63Å; Y21-I285 HydrophobicContact CD1-CG2 3.75Å; Y21-I285 HydrophobicContact CD2-CG2 4.47Å; Y21-I285 HydrophobicContact CE1-CB 4.24Å; Y21-I285 HydrophobicContact CE1-CG1 4.34Å; Y21-I285 HydrophobicContact CE1-CG2 3.88Å; Y21-I285 HydrophobicContact CG-CD1 4.31Å; Y21-I285 HydrophobicContact CG-CG1 4.16Å; Y21-I285 HydrophobicContact CG-CG2 4.04Å; P22-I285 HydrophobicContact CG-CD1 4.47Å; P22-I285 HydrophobicContact CG-CG1 3.89Å; I285-F287 VanDerWaalsContact C-N 3.35Å; I285-K289 WeakPolarHBondContact O-CG 3.4Å
286A88.2Confident93.3Very high46 Ų4637 Ų3738%0.3821%0.214SC..Hα-helixtrans-76.1-28.117900000111.8C230 F284 A290C230-A286 HydrophobicContact CB-CB 4.34Å; F284-A286 VanDerWaalsContact C-N 3.34Å; F284-A286 PolarHBondContact O-N 2.88Å; A286-A290 WeakPolarHBondContact O-CB 3.36Å; A286-A290 PolarHBondContact O-N 3.08Å
287F93Very high93.4Very high3 Ų336.7 Ų36.71%0.01322%0.215CC..Hα-helixtrans-74.3-48.1-177-177.8-82.5000111.7R205 I207 G215 M217 F284 I285 K289 A290 C291 L293 V295R205-F287 HydrophobicContact CG-CD2 4.04Å; R205-F287 HydrophobicContact CG-CE2 4.32Å; I207-F287 HydrophobicContact CB-CE1 4.07Å; I207-F287 HydrophobicContact CB-CE2 4.28Å; I207-F287 HydrophobicContact CB-CZ 3.77Å; I207-F287 HydrophobicContact CD1-CB 4.18Å; I207-F287 HydrophobicContact CD1-CD1 3.49Å; I207-F287 VanDerWaalsContact CD1-CD1 3.49Å; I207-F287 HydrophobicContact CD1-CD2 3.85Å; I207-F287 HydrophobicContact CD1-CE1 3.64Å; I207-F287 HydrophobicContact CD1-CE2 3.99Å; I207-F287 HydrophobicContact CD1-CG 3.58Å; I207-F287 HydrophobicContact CD1-CZ 3.86Å; I207-F287 HydrophobicContact CG1-CD1 4.21Å; I207-F287 HydrophobicContact CG1-CD2 3.98Å; I207-F287 HydrophobicContact CG1-CE1 3.92Å; I207-F287 HydrophobicContact CG1-CE2 3.68Å; I207-F287 HydrophobicContact CG1-CG 4.21Å; I207-F287 HydrophobicContact CG1-CZ 3.62Å; G215-F287 WeakPolarHBondContact O-CZ 3.43Å; M217-F287 HydrophobicContact CB-CD2 3.56Å; M217-F287 HydrophobicContact CB-CE2 3.82Å; M217-F287 HydrophobicContact CE-CB 4.15Å; M217-F287 HydrophobicContact CE-CD2 4.15Å; M217-F287 HydrophobicContact CG-CD2 4.49Å; M217-F287 HydrophobicContact SD-CB 4.2Å; M217-F287 HydrophobicContact SD-CD2 4.23Å; F284-F287 HydrophobicContact CB-CB 4.13Å; F284-F287 CarbonylContact O-C 3.57Å; F284-F287 WeakPolarHBondContact O-CA 3.29Å; F284-F287 WeakPolarHBondContact O-CB 3.15Å; F284-F287 PolarHBondContact O-N 3.22Å; I285-F287 VanDerWaalsContact C-N 3.35Å; F287-K289 VanDerWaalsContact C-N 3.26Å; F287-K289 PolarHBondContact O-N 2.85Å; F287-A290 PolarHBondContact O-N 2.84Å; F287-C291 HydrophobicContact CE1-CB 4.48Å; F287-C291 VanDerWaalsContact O-CB 3.3Å; F287-C291 WeakPolarHBondContact O-CB 3.5Å; F287-C291 PolarHBondContact O-N 3.07Å; F287-C291 PolarHBondContact O-SG 3.41Å; F287-C291 VanDerWaalsContact O-SG 3.35Å; F287-L293 HydrophobicContact CE1-CD1 3.9Å; F287-V295 HydrophobicContact CD1-CG2 4.03Å; F287-V295 HydrophobicContact CE1-CG2 3.97Å
288D92.6Very high93.6Very high13 Ų1337.9 Ų37.97%0.0722%0.221CC..Hα-helixtrans-55.8-43.8175.2-72.310.8000110.7F284 N292 L293 V295F284-D288 VanDerWaalsContact CD2-OD2 3.25Å; F284-D288 WeakPolarHBondContact CD2-OD2 3.29Å; F284-D288 PolarHBondContact O-N 2.76Å; D288-N292 WeakPolarHBondContact O-CA 3.23Å; D288-N292 PolarHBondContact O-N 3.42Å; D288-L293 VanDerWaalsContact CB-O 3.3Å; D288-L293 WeakPolarHBondContact CB-O 3.38Å; D288-L293 PolarHBondContact O-N 3.32Å; D288-L293 VanDerWaalsContact O-N 3.1Å; D288-V295 VanDerWaalsContact OD1-CB 3.27Å; D288-V295 WeakPolarHBondContact OD1-CB 3.31Å; D288-V295 WeakPolarHBondContact OD1-CG2 3.3Å
289K90.5Very high93.7Very high145 Ų14537.7 Ų37.763%0.6322%0.22SC*.Hα-helixtrans-67.7-44.3176.7-67.3179.3-176.7-1740112.8I285 F287I285-K289 WeakPolarHBondContact O-CG 3.4Å; F287-K289 VanDerWaalsContact C-N 3.26Å; F287-K289 PolarHBondContact O-N 2.85Å
290A91.3Very high93.9Very high31 Ų3136.1 Ų36.126%0.25621%0.212SC..Hα-helixtrans-71.6-30.8-178.700000113.2M217 G236 M238 A286 F287M217-A290 HydrophobicContact CG-CB 4.25Å; M217-A290 HydrophobicContact SD-CB 3.64Å; G236-A290 WeakPolarHBondContact O-CB 3.38Å; M238-A290 WeakPolarHBondContact CB-O 3.15Å; A286-A290 WeakPolarHBondContact O-CB 3.36Å; A286-A290 PolarHBondContact O-N 3.08Å; F287-A290 PolarHBondContact O-N 2.84Å
291C92.9Very high94.1Very high11 Ų1140.2 Ų40.27%0.07423%0.233CC..Hα-helixtrans-101.7-8.5-177.8-55.20000113.7M238 F287 L293M238-C291 HydrophobicContact CG-CB 4.41Å; M238-C291 HydrophobicContact SD-CB 4.47Å; F287-C291 HydrophobicContact CE1-CB 4.48Å; F287-C291 VanDerWaalsContact O-CB 3.3Å; F287-C291 WeakPolarHBondContact O-CB 3.5Å; F287-C291 PolarHBondContact O-N 3.07Å; F287-C291 PolarHBondContact O-SG 3.41Å; F287-C291 VanDerWaalsContact O-SG 3.35Å; C291-L293 HydrophobicContact CB-CB 4.44Å; C291-L293 HydrophobicContact CB-CD1 3.63Å; C291-L293 HydrophobicContact CB-CG 3.77Å
292N93.8Very high94.4Very high153 Ų15341.4 Ų41.482%0.81824%0.236SC*.THydrogen-bonded Turntrans5253-171.6-168.461.4000112.5D288D288-N292 WeakPolarHBondContact O-CA 3.23Å; D288-N292 PolarHBondContact O-N 3.42Å
293L94.8Very high94.6Very high57 Ų5741.4 Ų41.430%0.29824%0.236SC..  trans-120.4148.5-177-67.4174.7000111.7V214 F287 D288 C291 V295V214-L293 WeakPolarHBondContact O-CD1 3.43Å; F287-L293 HydrophobicContact CE1-CD1 3.9Å; D288-L293 VanDerWaalsContact CB-O 3.3Å; D288-L293 WeakPolarHBondContact CB-O 3.38Å; D288-L293 PolarHBondContact O-N 3.32Å; D288-L293 VanDerWaalsContact O-N 3.1Å; C291-L293 HydrophobicContact CB-CB 4.44Å; C291-L293 HydrophobicContact CB-CD1 3.63Å; C291-L293 HydrophobicContact CB-CG 3.77Å; L293-V295 HydrophobicContact CB-CG2 4.22Å
294D95.8Very high94.9Very high78 Ų7839 Ų3942%0.41721%0.212SC..  trans-9880.1165.2-176.77.4000109.8A296 G297 I298D294-A296 PolarHBondContact O-N 3.09Å; D294-A296 PolarHBondContact OD1-N 3.25Å; D294-G297 VanDerWaalsContact CG-N 3.35Å; D294-G297 PolarHBondContact O-N 2.98Å; D294-G297 PolarHBondContact OD1-N 3.29Å; D294-I298 WeakPolarHBondContact O-CG1 3.39Å; D294-I298 PolarHBondContact O-N 3.23Å; D294-I298 VanDerWaalsContact O-N 3.1Å
295V97.6Very high95Very high0 Ų040.8 Ų40.80%022%0.224CC..Hα-helixtrans-65.4-29.8179.2172.40000111.2I207 V214 F284 F287 D288 L293 I298 I299I207-V295 HydrophobicContact CG2-CG1 4.32Å; V214-V295 HydrophobicContact CG2-CG2 4.24Å; F284-V295 HydrophobicContact CB-CG1 4.42Å; F284-V295 HydrophobicContact CD1-CG1 3.9Å; F284-V295 HydrophobicContact CD2-CB 4.08Å; F284-V295 HydrophobicContact CD2-CG1 4.24Å; F284-V295 HydrophobicContact CE1-CG1 4.2Å; F284-V295 HydrophobicContact CE2-CB 4.45Å; F284-V295 HydrophobicContact CG-CB 4.16Å; F284-V295 HydrophobicContact CG-CG1 3.92Å; F284-V295 HydrophobicContact CZ-CG1 4.5Å; F287-V295 HydrophobicContact CD1-CG2 4.03Å; F287-V295 HydrophobicContact CE1-CG2 3.97Å; D288-V295 VanDerWaalsContact OD1-CB 3.27Å; D288-V295 WeakPolarHBondContact OD1-CB 3.31Å; D288-V295 WeakPolarHBondContact OD1-CG2 3.3Å; L293-V295 HydrophobicContact CB-CG2 4.22Å; V295-I298 PolarHBondContact O-N 3.42Å; V295-I299 HydrophobicContact CG1-CD1 3.89Å; V295-I299 HydrophobicContact CG1-CG1 4.4Å; V295-I299 WeakPolarHBondContact O-CD1 3.4Å; V295-I299 VanDerWaalsContact O-CG1 3.23Å; V295-I299 WeakPolarHBondContact O-CG1 3.41Å; V295-I299 PolarHBondContact O-N 3.48Å
296A97.9Very high95.3Very high0 Ų038.6 Ų38.60%021%0.213CC..Hα-helixtrans-65.2-44.3174.900000112.1E25 I26 A29 F284 D294 I299 A300E25-A296 HydrophobicContact CB-CB 3.91Å; I26-A296 HydrophobicContact CG1-CB 4.3Å; A29-A296 HydrophobicContact CB-CB 3.98Å; A29-A296 WeakPolarHBondContact CB-O 3.44Å; F284-A296 HydrophobicContact CE2-CB 4.47Å; D294-A296 PolarHBondContact O-N 3.09Å; D294-A296 PolarHBondContact OD1-N 3.25Å; A296-I299 PolarHBondContact O-N 3.19Å; A296-A300 PolarHBondContact O-N 3.03Å
297G98.1Very high95.4Very high14 Ų1437.2 Ų37.214%0.14420%0.199CC..Hα-helixtrans-57.8-47.7171.400000112.3D294 I299 A300 D301D294-G297 VanDerWaalsContact CG-N 3.35Å; D294-G297 PolarHBondContact O-N 2.98Å; D294-G297 PolarHBondContact OD1-N 3.29Å; G297-I299 VanDerWaalsContact C-N 3.32Å; G297-I299 PolarHBondContact O-N 3.44Å; G297-A300 WeakPolarHBondContact O-CB 3.13Å; G297-A300 PolarHBondContact O-N 2.61Å; G297-D301 PolarHBondContact O-N 3.06Å
298I98.4Very high94.4Very high57 Ų5740.7 Ų40.729%0.29222%0.221SC..Hα-helixtrans-62.4-37.4178.5-62.3164.1000112V209 V214 D294 V295 Y302V209-I298 HydrophobicContact CB-CG2 4.17Å; V209-I298 HydrophobicContact CG1-CG2 4.16Å; V209-I298 HydrophobicContact CG2-CG2 4.37Å; V214-I298 HydrophobicContact CB-CD1 4.23Å; V214-I298 HydrophobicContact CG1-CD1 4.47Å; V214-I298 HydrophobicContact CG1-CG2 3.79Å; D294-I298 WeakPolarHBondContact O-CG1 3.39Å; D294-I298 PolarHBondContact O-N 3.23Å; D294-I298 VanDerWaalsContact O-N 3.1Å; V295-I298 PolarHBondContact O-N 3.42Å; I298-Y302 WeakPolarHBondContact O-CB 3.3Å; I298-Y302 PolarHBondContact O-N 3.09Å
299I98.5Very high92.5Very high1 Ų146.7 Ų46.71%0.00526%0.261CS..Hα-helixtrans-64.2-41.1173.1-70.7163.7000110.8I26 V75 V209 V260 F284 V295 A296 G297 Y302 A303I26-I299 HydrophobicContact CD1-CD1 3.84Å; I26-I299 HydrophobicContact CG1-CD1 4Å; I26-I299 HydrophobicContact CG1-CG2 4.42Å; I26-I299 HydrophobicContact CG2-CG2 4.32Å; V75-I299 HydrophobicContact CG1-CG2 4.39Å; V209-I299 HydrophobicContact CG1-CG1 4.42Å; V209-I299 HydrophobicContact CG2-CG1 4.05Å; V260-I299 HydrophobicContact CG1-CD1 3.68Å; V260-I299 HydrophobicContact CG1-CG1 3.94Å; V260-I299 HydrophobicContact CG2-CG1 4.04Å; V260-I299 HydrophobicContact CG2-CG2 4.32Å; F284-I299 HydrophobicContact CE1-CD1 3.95Å; F284-I299 HydrophobicContact CZ-CD1 4.28Å; V295-I299 HydrophobicContact CG1-CD1 3.89Å; V295-I299 HydrophobicContact CG1-CG1 4.4Å; V295-I299 WeakPolarHBondContact O-CD1 3.4Å; V295-I299 VanDerWaalsContact O-CG1 3.23Å; V295-I299 WeakPolarHBondContact O-CG1 3.41Å; V295-I299 PolarHBondContact O-N 3.48Å; A296-I299 PolarHBondContact O-N 3.19Å; G297-I299 VanDerWaalsContact C-N 3.32Å; G297-I299 PolarHBondContact O-N 3.44Å; I299-Y302 PolarHBondContact O-N 3.39Å; I299-A303 WeakPolarHBondContact O-CB 3.4Å; I299-A303 PolarHBondContact O-N 3.04Å
300A98.4Very high90.4Very high1 Ų142.5 Ų42.51%0.00826%0.259CS..Hα-helixtrans-68.1-45179.700000112.7A29 L30 K33 A296 G297 Y302 A303 A304A29-A300 HydrophobicContact CB-CB 3.88Å; L30-A300 HydrophobicContact CD2-CB 3.8Å; L30-A300 HydrophobicContact CG-CB 4.22Å; K33-A300 HydrophobicContact CB-CB 4.02Å; K33-A300 HydrophobicContact CG-CB 4.35Å; A296-A300 PolarHBondContact O-N 3.03Å; G297-A300 WeakPolarHBondContact O-CB 3.13Å; G297-A300 PolarHBondContact O-N 2.61Å; A300-Y302 VanDerWaalsContact C-N 3.31Å; A300-Y302 PolarHBondContact O-N 3.32Å; A300-A303 PolarHBondContact O-N 3.27Å; A300-A304 WeakPolarHBondContact O-CB 3.33Å; A300-A304 PolarHBondContact O-N 3.36Å
301D98Very high88Confident87 Ų8751 Ų5147%0.46528%0.284SS..Hα-helixtrans-57.9-43.6172.9-80.7-28.6000111.6K33 G297 S305K33-D301 WeakPolarHBondContact CE-OD1 3.28Å; K33-D301 IonicContact NZ-OD1 3.91Å; K33-D301 PolarHBondContact NZ-OD1 3.48Å; G297-D301 PolarHBondContact O-N 3.06Å; D301-S305 WeakPolarHBondContact O-CB 3.47Å; D301-S305 PolarHBondContact O-N 3.33Å
302Y98.1Very high85.6Confident49 Ų4956.3 Ų56.319%0.19231%0.311CS..Hα-helixtrans-65.5-44.7177.6179.8-114.5000111.8M103 V209 G210 D259 I298 I299 A300 A304 S305 L306M103-Y302 HydrophobicContact CE-CD1 3.51Å; M103-Y302 HydrophobicContact CE-CE1 3.93Å; M103-Y302 HydrophobicContact SD-CD1 4.14Å; M103-Y302 HydrophobicContact SD-CE1 4.14Å; V209-Y302 HydrophobicContact CG1-CD1 3.98Å; V209-Y302 HydrophobicContact CG1-CG 3.96Å; G210-Y302 VanDerWaalsContact CA-CE2 3.45Å; D259-Y302 HydrophobicContact CB-CE1 3.98Å; D259-Y302 PolarHBondContact OD1-OH 3.37Å; I298-Y302 WeakPolarHBondContact O-CB 3.3Å; I298-Y302 PolarHBondContact O-N 3.09Å; I299-Y302 PolarHBondContact O-N 3.39Å; A300-Y302 VanDerWaalsContact C-N 3.31Å; A300-Y302 PolarHBondContact O-N 3.32Å; Y302-A304 PolarHBondContact O-N 3.09Å; Y302-S305 WeakPolarHBondContact O-CB 3.46Å; Y302-S305 PolarHBondContact O-N 3.08Å; Y302-S305 VanDerWaalsContact O-N 3.16Å; Y302-S305 PolarHBondContact O-OG 3.25Å; Y302-L306 HydrophobicContact CE1-CD1 4.1Å; Y302-L306 HydrophobicContact CE1-CG 4.5Å; Y302-L306 HydrophobicContact CE2-CD2 4.18Å; Y302-L306 PolarHBondContact O-N 2.98Å
303A97.9Very high82.7Confident0 Ų055.2 Ų55.20%031%0.31CS..Hα-helixtrans-62.5-42178.400000112.6L9 L30 V73 V75 M103 I299 A300 S305 L306L9-A303 HydrophobicContact CD1-CB 3.8Å; L30-A303 HydrophobicContact CD2-CB 3.97Å; V73-A303 HydrophobicContact CG1-CB 4.38Å; V75-A303 HydrophobicContact CG2-CB 3.59Å; M103-A303 HydrophobicContact CE-CB 3.88Å; M103-A303 HydrophobicContact SD-CB 3.72Å; I299-A303 WeakPolarHBondContact O-CB 3.4Å; I299-A303 PolarHBondContact O-N 3.04Å; A300-A303 PolarHBondContact O-N 3.27Å; A303-S305 VanDerWaalsContact C-N 3.34Å; A303-S305 PolarHBondContact O-N 3.16Å; A303-L306 PolarHBondContact O-N 3.45Å
304A96.3Very high79.8Confident2 Ų263.8 Ų63.82%0.01734%0.338CS..Hα-helixtrans-63.3-38.6173.200000112K33 L39 A300 Y302 L306 L307K33-A304 HydrophobicContact CG-CB 3.94Å; L39-A304 HydrophobicContact CD1-CB 4.27Å; A300-A304 WeakPolarHBondContact O-CB 3.33Å; A300-A304 PolarHBondContact O-N 3.36Å; Y302-A304 PolarHBondContact O-N 3.09Å; A304-L306 PolarHBondContact O-N 2.79Å; A304-L306 VanDerWaalsContact O-N 3.11Å; A304-L307 WeakPolarHBondContact O-CB 3.43Å; A304-L307 PolarHBondContact O-N 2.89Å
305S95.3Very high77Confident37 Ų3771.5 Ų71.526%0.25936%0.362SS..Hα-helixtrans-63.5-17.4177.683.90000114.8D301 Y302 A303 T308D301-S305 WeakPolarHBondContact O-CB 3.47Å; D301-S305 PolarHBondContact O-N 3.33Å; Y302-S305 WeakPolarHBondContact O-CB 3.46Å; Y302-S305 PolarHBondContact O-N 3.08Å; Y302-S305 VanDerWaalsContact O-N 3.16Å; Y302-S305 PolarHBondContact O-OG 3.25Å; A303-S305 VanDerWaalsContact C-N 3.34Å; A303-S305 PolarHBondContact O-N 3.16Å; S305-T308 PolarHBondContact O-OG1 3.45Å
306L94.4Very high73.8Confident25 Ų2580.3 Ų80.313%0.13141%0.405CS..THydrogen-bonded Turntrans-81.3-15.4174-64.5-178.6000113.2V73 R101 M103 Y302 A303 A304 L312V73-L306 HydrophobicContact CG2-CB 3.63Å; R101-L306 HydrophobicContact CG-CD1 4.09Å; M103-L306 HydrophobicContact CG-CD1 3.92Å; M103-L306 HydrophobicContact SD-CD1 3.49Å; M103-L306 WeakPolarHBondContact SD-CD1 3.49Å; Y302-L306 HydrophobicContact CE1-CD1 4.1Å; Y302-L306 HydrophobicContact CE1-CG 4.5Å; Y302-L306 HydrophobicContact CE2-CD2 4.18Å; Y302-L306 PolarHBondContact O-N 2.98Å; A303-L306 PolarHBondContact O-N 3.45Å; A304-L306 PolarHBondContact O-N 2.79Å; A304-L306 VanDerWaalsContact O-N 3.11Å; L306-L312 HydrophobicContact CD2-CD1 4.29Å
307L90.8Very high70.4Confident18 Ų1886 Ų869%0.09445%0.445CS..THydrogen-bonded Turntrans-85.2-19.8178.9-62.5167.7000113P7 L9 L39 Q72 V73 A304 P309P7-L307 HydrophobicContact CB-CB 4.11Å; P7-L307 HydrophobicContact CB-CD1 4.36Å; P7-L307 HydrophobicContact CB-CD2 4.2Å; P7-L307 HydrophobicContact CB-CG 4.47Å; L9-L307 HydrophobicContact CB-CD1 4.13Å; L9-L307 HydrophobicContact CD1-CD1 4.18Å; L39-L307 HydrophobicContact CD1-CD1 3.61Å; L39-L307 HydrophobicContact CD2-CD1 4.11Å; L39-L307 HydrophobicContact CG-CD1 4.38Å; Q72-L307 HydrophobicContact CB-CD2 3.64Å; V73-L307 HydrophobicContact CB-CD2 3.9Å; V73-L307 HydrophobicContact CB-CG 4.38Å; V73-L307 HydrophobicContact CG2-CD2 3.53Å; V73-L307 HydrophobicContact CG2-CG 3.92Å; A304-L307 WeakPolarHBondContact O-CB 3.43Å; A304-L307 PolarHBondContact O-N 2.89Å; L307-P309 VanDerWaalsContact O-CD 3.29Å; L307-P309 WeakPolarHBondContact O-CD 3.17Å
308T70.3Confident67.2Low75 Ų7593.1 Ų93.146%0.4648%0.479SS..SBendtrans-82.5113.9-177.118.80000111.6S305 G310S305-T308 PolarHBondContact O-OG1 3.45Å; T308-G310 PolarHBondContact O-N 3.47Å
309P52.7Low63.9Low140 Ų14098.6 Ų98.691%0.90951%0.507SS*.THydrogen-bonded Turntrans-74.986-179.7-7.525.1000110.2L307L307-P309 VanDerWaalsContact O-CD 3.29Å; L307-P309 WeakPolarHBondContact O-CD 3.17Å
310G46.4Very low60.6Low57 Ų57102.7 Ų102.759%0.58854%0.537SS*.THydrogen-bonded Turntrans173.6-19177.400000118.4T308T308-G310 PolarHBondContact O-N 3.47Å
311R40.9Very low57.3Low208 Ų208109.4 Ų109.479%0.78558%0.577SS**SBendtrans-91.9-20.3-178.4-86.3-176.3171176.80115.6
312L42.4Very low54Low124 Ų124110.9 Ų110.965%0.64959%0.589SS**G310 helixtrans-81.5-11-173.8-75.7163.1000115L306 R314L306-L312 HydrophobicContact CD2-CD1 4.29Å; L312-R314 PolarHBondContact O-N 2.94Å
313T34.8Very low50.7Low130 Ų130113.2 Ų113.280%0.79861%0.613SS**G310 helixtrans-89.59-170.744.60000115.7
314R33.6Very low47.3Very low236 Ų236119.4 Ų119.489%0.89165%0.65SS**G310 helixtrans-120.528.3-174.9-136.9-177.8-164.5-163.85.4117L312L312-R314 PolarHBondContact O-N 2.94Å
315R36Very low44Very low241 Ų241123.7 Ų123.791%0.90969%0.686SS**SBendtrans-174.856.6154.5-111175.8-175.4-171.31.5115.2
316M29.8Very low40.8Very low185 Ų185127.2 Ų127.291%0.91171%0.711SS**  trans-136.280.8154.5-71.3-158.882.600109.4L318M316-L318 PolarHBondContact O-N 3.29Å
317S28.3Very low37.6Very low119 Ų119134.9 Ų134.983%0.83275%0.746SS**  trans-69.7121.1164.2-177.20000107.8L319S317-L319 PolarHBondContact O-N 3.07Å
318L30.6Very low34.6Very low163 Ų163140.4 Ų140.485%0.85378%0.78SS**  trans-31.8118166.8-66.1152000112.1M316M316-L318 PolarHBondContact O-N 3.29Å
319L28.7Very low32.6Very low172 Ų172142.2 Ų142.290%0.90180%0.796SS**  trans-103.4110.5146.9-95.9165.2000106.4S317S317-L319 PolarHBondContact O-N 3.07Å
320S28.1Very low31.4Very low88 Ų88143.5 Ų143.562%0.61579%0.79SS**  trans-67.9146.3-173.946.10000112.1V322S320-V322 PolarHBondContact O-N 3.39Å; S320-V322 VanDerWaalsContact O-N 3.14Å
321V30.5Very low30.5Very low141 Ų141146.9 Ų146.986%0.85580%0.802SS**  trans-35116.1152.11790000110.1
322V28Very low29.8Very low119 Ų119144.4 Ų144.472%0.72180%0.799SS**  trans-107.6105.1160.2177.60000106.5S320S320-V322 PolarHBondContact O-N 3.39Å; S320-V322 VanDerWaalsContact O-N 3.14Å
323S28.3Very low29.2Very low98 Ų98145.4 Ų145.469%0.68580%0.804SS**  trans-69.7129.4167.4-176.50000108.8
324T27Very low28.8Very low130 Ų130142.5 Ų142.580%0.79880%0.8SS**  trans-124.186159.744.10000108
325A26.8Very low28.9Very low92 Ų92136.8 Ų136.876%0.7679%0.794SS**  trans-66.2126.4157.300000107.9
326S28Very low29.3Very low111 Ų111131.1 Ų131.178%0.77679%0.788SS**  trans-114.4112.7163.6-172.60000107.1
327E28.5Very low29.2Very low186 Ų186127.5 Ų127.587%0.86979%0.788SS**  trans-68.7131.9174.9-59170.6143.400109.6
328T27.2Very low29.2Very low133 Ų133127.6 Ų127.682%0.81679%0.788SS**  trans-146.5112.4154.727.60000108.8
329S27.6Very low29Very low114 Ų114124.7 Ų124.780%0.79779%0.787SS**  trans-24.3135.8168.349.20000119.1
330E27.8Very low28.9Very low166 Ų166120.7 Ų120.778%0.77678%0.78SS**  trans-69.1171.2154.1-59.7-175.7146.600112
331P28.6Very low29Very low129 Ų129122.6 Ų122.684%0.83879%0.787SS**  -140.9151.6102.638-26.1000116
332E26.3Very low28.8Very low155 Ų155122.2 Ų122.272%0.72478%0.78SS**  trans-69.5175.4160.8-46.7-177.710600111.1
333L29.8Very low28.8Very low145 Ų145123.1 Ų123.176%0.75978%0.781SS**  cis-166.5150.214.8-145.2153.2000108.9
334G25.4Very low28.7Very low69 Ų69127.6 Ų127.671%0.71179%0.793SS**  trans150.7123.8150.400000119
335P35.8Very low28.8Very low117 Ų117127 Ų12776%0.7680%0.795SS**  trans-112.2-159.3178.346.3-37000111.2
336P44.3Very low28.8Very low122 Ų122127.5 Ų127.579%0.79280%0.799SS**  cis-132.2176.8-12.441.2-25.4000114.9
337A28.5Very low28.7Very low109 Ų109128 Ų12890%0.90180%0.803SS**  trans-156.3148.2148.300000111.7
338S27Very low28.7Very low120 Ų120124.6 Ų124.684%0.83980%0.799SS**  trans-115.7148.3-168.256.10000114.2
339A27.9Very low28.7Very low102 Ų102124.2 Ų124.284%0.84380%0.802SS**  trans-157.3132.9147.900000111.9
340A26.7Very low28.7Very low89 Ų89123.7 Ų123.774%0.73680%0.798SS**  trans-81.1177.6156.700000108.8
341V28.6Very low28.7Very low128 Ų128122.3 Ų122.378%0.77680%0.801SS**  cis-152.4-179.421.8-119.80000107.1
342D26.6Very low28.6Very low132 Ų132123.6 Ų123.671%0.70680%0.801SS**  cis-149.6-167.39.2-143.5-56.4000110.9
343N27.5Very low28.8Very low138 Ų138121.1 Ų121.174%0.73880%0.8SS**  trans-75.2157.1173.5-61.8-80.6000113.9
344M27.8Very low28.8Very low192 Ų192122.1 Ų122.195%0.94681%0.806SS**  -162.4130.5118.3-92.8-103.6173.100110.6
345S28.3Very low29.1Very low118 Ų118124.2 Ų124.283%0.82581%0.808SS**  trans-88.7137.6174.754.30000111.4
346A27.4Very low28.8Very low102 Ų102127.3 Ų127.384%0.84381%0.812SS**  trans-142.9111.9159.800000110.5
347S26Very low28.2Very low123 Ų123128 Ų12886%0.8681%0.814SS**  trans-84131.8167.553.50000110.2
348S27.6Very low28.2Very low114 Ų114128.8 Ų128.880%0.79781%0.808SS**  trans-145.8111.8160.5590000111
349S26.8Very low28.4Very low124 Ų124131.2 Ų131.287%0.86781%0.806SS**  trans-74.4127.7164.351.50000110.1
350S27.5Very low28.6Very low103 Ų103136.6 Ų136.672%0.7280%0.804SS**  trans-126.6113.2163.9530000109.2
351V28.1Very low28.7Very low137 Ų137140.7 Ų140.783%0.8381%0.808SS**  trans-81.8125.2165.6177.10000106.3
352D27.8Very low28.7Very low157 Ų157142.2 Ų142.284%0.8481%0.811SS**  trans-124.8139.3166.9-99.8-43.2000110.2
353S29.1Very low28.9Very low102 Ų102143.8 Ų143.871%0.71382%0.819SS**  trans-119.3113.3-169.453.10000110.7P355S353-P355 WeakPolarHBondContact O-CD 3.23Å
354D30.7Very low29Very low167 Ų167142.4 Ų142.489%0.89382%0.815SS**  trans-71.3128.9177.1-89-35.5000112.4
355P30.3Very low29.2Very low113 Ų113142 Ų14273%0.73481%0.808SS**  trans-108.179.317838.4-29.9000113.1S353S353-P355 WeakPolarHBondContact O-CD 3.23Å
356E30.6Very low29.5Very low182 Ų182143.2 Ų143.285%0.8581%0.805SS**  trans-128.374171.7-74.7-163.1166.100113.4
357T31.5Very low30Very low135 Ų135144.1 Ų144.183%0.82880%0.802SS**  trans-115.18171.344.60000114.6
358T29.6Very low30.3Very low126 Ų126141 Ų14177%0.77379%0.789SS**SBendtrans-118.65.6-163.9-22.30000116.1
359E30.8Very low30.5Very low171 Ų171139 Ų13980%0.79978%0.78SS**SBendtrans-99.4-6.8172.8-71.8-155.9141.500114.3E361E359-E361 VanDerWaalsContact C-N 3.3Å; E359-E361 PolarHBondContact O-N 2.64Å
360R30.9Very low31Very low216 Ų216139 Ų13982%0.81577%0.769SS**THydrogen-bonded Turntrans-77.3-7.3-167.8-140.7173.9-175.41760.2115.2
361E29.6Very low31.6Very low174 Ų174140.4 Ų140.481%0.81376%0.763SS**THydrogen-bonded Turntrans-103.8-13.3-171.7-64.6-163.613900115.9E359 T364E359-E361 VanDerWaalsContact C-N 3.3Å; E359-E361 PolarHBondContact O-N 2.64Å; E361-T364 PolarHBondContact O-OG1 2.95Å
362L28.3Very low32.2Very low160 Ų160138.7 Ų138.784%0.83875%0.749SS**SBendtrans-90.2-13.4-171.7-84159.8000115.6
363L30.3Very low32.9Very low166 Ų166137.1 Ų137.187%0.86974%0.738SS**SBendtrans-95.43.3-174.4-77167.4000115.4
364T30.7Very low33.6Very low108 Ų108135 Ų13566%0.66372%0.719SS**SBendtrans-95.55.4-170.551.20000115.6E361E361-T364 PolarHBondContact O-OG1 2.95Å
365K31.2Very low34.3Very low183 Ų183132.1 Ų132.180%0.79670%0.7SS**SBendtrans-126.383-177.2-66.2-176.6-177.2174.70113.3
366L34.8Very low35.1Very low144 Ų144131.5 Ų131.575%0.75469%0.69SS**  trans173.382.3145.9-95.7158.3000112.1
367P38Very low36.1Very low122 Ų122125.8 Ų125.879%0.79267%0.665SS**  trans-83.4-11.3-174.2-15.832.6000116.9
368G32.3Very low36.9Very low56 Ų56120.2 Ų120.258%0.57763%0.632SS**SBendtrans-90.8-50.6-16400000116.9
369A32.6Very low37.7Very low74 Ų74118.4 Ų118.461%0.61262%0.618SS**Hα-helixtrans-80.2-42.1-164.400000114.2F371 N372A369-F371 VanDerWaalsContact C-N 3.26Å; A369-F371 PolarHBondContact O-N 2.85Å; A369-N372 PolarHBondContact O-N 3Å
370L37.5Very low38.6Very low123 Ų123116.2 Ų116.264%0.64461%0.608SS**Hα-helixtrans-62.8-31.7178.6-82.6147.5000112.7N374L370-N374 PolarHBondContact O-N 3.18Å
371F39.3Very low39.7Very low133 Ų133107.9 Ų107.958%0.58358%0.579SS**Hα-helixtrans-65.6-44-178.5-170.6-95.9000112.1A369 N374 Q375A369-F371 VanDerWaalsContact C-N 3.26Å; A369-F371 PolarHBondContact O-N 2.85Å; F371-N374 PolarHBondContact O-N 2.89Å; F371-Q375 PolarHBondContact O-N 3.4Å
372N40.1Very low40.2Very low101 Ų101104.3 Ų104.354%0.5456%0.561SS.*Hα-helixtrans-68.8-38.8-177.9-155.88.9000111.8A369 Q375 L376A369-N372 PolarHBondContact O-N 3Å; N372-Q375 PolarHBondContact O-N 3.19Å; N372-L376 WeakPolarHBondContact O-CG 3.38Å; N372-L376 PolarHBondContact O-N 3.4Å
373M42.5Very low41.1Very low123 Ų123103 Ų10361%0.60655%0.554SS**Hα-helixtrans-61-45.6173.8-73.8-102.8-71.400112.4Q375 L376 L377M373-Q375 VanDerWaalsContact C-N 3.28Å; M373-Q375 PolarHBondContact O-N 3.4Å; M373-L376 PolarHBondContact O-N 2.99Å; M373-L377 WeakPolarHBondContact O-CB 3.08Å; M373-L377 WeakPolarHBondContact O-CG 3.17Å; M373-L377 PolarHBondContact O-N 2.94Å
374N43.7Very low41.5Very low59 Ų59102 Ų10232%0.31655%0.549SS..Hα-helixtrans-64.1-33.9178.7-73.9-12.7000112.5V235 L370 F371 A378V235-N374 HydrophobicContact CG2-CB 4.04Å; L370-N374 PolarHBondContact O-N 3.18Å; F371-N374 PolarHBondContact O-N 2.89Å; N374-A378 WeakPolarHBondContact O-CB 3.45Å; N374-A378 PolarHBondContact O-N 3.29Å
375Q45.6Very low41.9Very low106 Ų106101.7 Ų101.750%0.49555%0.546SS..Hα-helixtrans-74.2-34.8177.6-165.21664.700112.4F371 N372 M373 N379F371-Q375 PolarHBondContact O-N 3.4Å; N372-Q375 PolarHBondContact O-N 3.19Å; M373-Q375 VanDerWaalsContact C-N 3.28Å; M373-Q375 PolarHBondContact O-N 3.4Å; Q375-N379 VanDerWaalsContact O-CG 3.24Å; Q375-N379 PolarHBondContact O-N 3.22Å; Q375-N379 PolarHBondContact O-ND2 3Å
376L46.7Very low42.2Very low100 Ų100102 Ų10252%0.52455%0.55SS.*Hα-helixtrans-66.5-48171.5-72.2164.9000111.7N372 M373 A378 N379 E380N372-L376 WeakPolarHBondContact O-CG 3.38Å; N372-L376 PolarHBondContact O-N 3.4Å; M373-L376 PolarHBondContact O-N 2.99Å; L376-A378 VanDerWaalsContact C-N 3.33Å; L376-A378 PolarHBondContact O-N 3.04Å; L376-N379 WeakPolarHBondContact O-CB 3.17Å; L376-N379 PolarHBondContact O-N 3.37Å; L376-N379 VanDerWaalsContact O-N 3.09Å; L376-E380 PolarHBondContact O-N 3.18Å
377L51.3Low42.6Very low62 Ų6299.9 Ų99.933%0.32554%0.54SS..Hα-helixtrans-60.9-38.9176.3-75.7164.1000112.5T222 M373 N379 E380 I381T222-L377 HydrophobicContact CG2-CD1 4.33Å; M373-L377 WeakPolarHBondContact O-CB 3.08Å; M373-L377 WeakPolarHBondContact O-CG 3.17Å; M373-L377 PolarHBondContact O-N 2.94Å; L377-N379 VanDerWaalsContact C-N 3.29Å; L377-N379 PolarHBondContact O-N 3.33Å; L377-E380 PolarHBondContact O-N 2.87Å; L377-I381 VanDerWaalsContact O-CG1 3.3Å; L377-I381 WeakPolarHBondContact O-CG1 3.47Å; L377-I381 PolarHBondContact O-N 3.43Å
378A48.8Very low42.8Very low18 Ų1898.7 Ų98.715%0.14953%0.527CS..Hα-helixtrans-60.9-37.9174.100000112.4V235 N374 L376 K382V235-A378 HydrophobicContact CG1-CB 3.8Å; N374-A378 WeakPolarHBondContact O-CB 3.45Å; N374-A378 PolarHBondContact O-N 3.29Å; L376-A378 VanDerWaalsContact C-N 3.33Å; L376-A378 PolarHBondContact O-N 3.04Å; A378-K382 WeakPolarHBondContact O-CB 3.48Å; A378-K382 PolarHBondContact O-N 2.97Å; A378-K382 VanDerWaalsContact O-N 3.08Å
379N46.8Very low43.4Very low88 Ų88101.1 Ų101.147%0.47152%0.524SS..Hα-helixtrans-72.5-40178.2-68.9-24.1000112.1Q375 L376 L377 K382 L383Q375-N379 VanDerWaalsContact O-CG 3.24Å; Q375-N379 PolarHBondContact O-N 3.22Å; Q375-N379 PolarHBondContact O-ND2 3Å; L376-N379 WeakPolarHBondContact O-CB 3.17Å; L376-N379 PolarHBondContact O-N 3.37Å; L376-N379 VanDerWaalsContact O-N 3.09Å; L377-N379 VanDerWaalsContact C-N 3.29Å; L377-N379 PolarHBondContact O-N 3.33Å; N379-K382 WeakPolarHBondContact O-CB 3.4Å; N379-K382 PolarHBondContact O-N 3.22Å; N379-L383 WeakPolarHBondContact O-CG 3.43Å; N379-L383 PolarHBondContact O-N 3.29Å
380E49.8Very low44Very low125 Ų125102.6 Ų102.658%0.58452%0.519SS*.Hα-helixtrans-65.7-42175.3-72.1-175.3156.800112.1L376 L377 K382 L383L376-E380 PolarHBondContact O-N 3.18Å; L377-E380 PolarHBondContact O-N 2.87Å; E380-K382 VanDerWaalsContact C-N 3.28Å; E380-K382 PolarHBondContact O-N 3.38Å; E380-L383 PolarHBondContact O-N 3.46Å
381I53.8Low44.4Very low40 Ų40101.4 Ų101.421%0.20551%0.511CS..Hα-helixtrans-63.9-36.4174.7-66.8168.4000110.8C220 M237 L377 L383 L384 V385C220-I381 HydrophobicContact CB-CD1 4.2Å; M237-I381 HydrophobicContact CE-CG2 4.48Å; M237-I381 HydrophobicContact SD-CB 4.28Å; M237-I381 HydrophobicContact SD-CG2 3.67Å; L377-I381 VanDerWaalsContact O-CG1 3.3Å; L377-I381 WeakPolarHBondContact O-CG1 3.47Å; L377-I381 PolarHBondContact O-N 3.43Å; I381-L383 VanDerWaalsContact C-N 3.31Å; I381-L383 PolarHBondContact O-N 3.25Å; I381-L384 PolarHBondContact O-N 2.86Å; I381-V385 HydrophobicContact CG2-CG2 4.35Å; I381-V385 WeakPolarHBondContact O-CG2 3.4Å; I381-V385 PolarHBondContact O-N 3.24Å
382K41.3Very low44.8Very low99 Ų9999.3 Ų99.343%0.4351%0.506SS..Hα-helixtrans-60.3-41.2176.9-168.6179.1170.8-172.40112.4M237 A378 N379 E380 L384 V385 E386M237-K382 HydrophobicContact CE-CB 3.63Å; M237-K382 HydrophobicContact CE-CG 4.05Å; A378-K382 WeakPolarHBondContact O-CB 3.48Å; A378-K382 PolarHBondContact O-N 2.97Å; A378-K382 VanDerWaalsContact O-N 3.08Å; N379-K382 WeakPolarHBondContact O-CB 3.4Å; N379-K382 PolarHBondContact O-N 3.22Å; E380-K382 VanDerWaalsContact C-N 3.28Å; E380-K382 PolarHBondContact O-N 3.38Å; K382-L384 PolarHBondContact O-N 2.71Å; K382-V385 PolarHBondContact O-N 3.48Å; K382-E386 WeakPolarHBondContact CE-OE1 3.44Å; K382-E386 IonicContact NZ-OE1 2.66Å; K382-E386 PolarHBondContact NZ-OE1 3.45Å; K382-E386 PolarHBondContact O-N 3.34Å
383L45.1Very low45.1Very low133 Ų13399.1 Ų99.170%0.69650%0.504SS*.THydrogen-bonded Turntrans-69.7-4.9176.5-67.4166.4000114.3N379 E380 I381N379-L383 WeakPolarHBondContact O-CG 3.43Å; N379-L383 PolarHBondContact O-N 3.29Å; E380-L383 PolarHBondContact O-N 3.46Å; I381-L383 VanDerWaalsContact C-N 3.31Å; I381-L383 PolarHBondContact O-N 3.25Å
384L40.3Very low45.3Very low145 Ų14597.3 Ų97.376%0.75950%0.496SS*.THydrogen-bonded Turntrans-109.2-2.5176.6-65.8170.6000113.1I381 K382I381-L384 PolarHBondContact O-N 2.86Å; K382-L384 PolarHBondContact O-N 2.71Å
385V38.3Very low45.4Very low102 Ų102100.5 Ų100.562%0.61851%0.511SS*.THydrogen-bonded Turntrans-120.1-18.9-176.7178.10000112.2I381 K382I381-V385 HydrophobicContact CG2-CG2 4.35Å; I381-V385 WeakPolarHBondContact O-CG2 3.4Å; I381-V385 PolarHBondContact O-N 3.24Å; K382-V385 PolarHBondContact O-N 3.48Å
386E37.5Very low45.4Very low188 Ų188100 Ų10088%0.87951%0.513SS*.  trans-84.30162.9-67.9-178.8170.900111.5K382K382-E386 WeakPolarHBondContact CE-OE1 3.44Å; K382-E386 IonicContact NZ-OE1 2.66Å; K382-E386 PolarHBondContact NZ-OE1 3.45Å; K382-E386 PolarHBondContact O-N 3.34Å

Retrieved 386 of 386 residues in 132.8 ms (Link to these results)

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